G4M0Y0_SCHMA Loading...

GMP synthase (glutamine-hydrolyzing)

AlphaFold DB , UniProt , Accession G4M0Y0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 739 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
1M78.2Confident86.9Confident146 Ų14628.9 Ų28.972%0.71916%0.164SC*.  0125.70-176.9176.9-73.800106.9F27 Y193M1-F27 HydrophobicContact CG-CB 4.12Å; M1-F27 HydrophobicContact SD-CB 3.73Å; M1-F27 HydrophobicContact SD-CD1 4.49Å; M1-F27 HydrophobicContact SD-CD2 3.94Å; M1-F27 HydrophobicContact SD-CG 3.81Å; M1-Y193 HydrophobicContact CE-CD2 3.59Å; M1-Y193 HydrophobicContact CE-CE2 3.97Å; M1-Y193 HydrophobicContact SD-CD2 3.55Å; M1-Y193 VanDerWaalsContact SD-CD2 3.55Å; M1-Y193 HydrophobicContact SD-CE2 3.91Å; M1-Y193 HydrophobicContact SD-CG 4.5Å
2E88.5Confident85.1Confident41 Ų4135.8 Ų35.819%0.19219%0.194CC..  trans-71.7137.8174.9-68.7171.4174.500109.4L189 K190E2-L189 HydrophobicContact CB-CD2 4.22Å; E2-L189 WeakPolarHBondContact OE2-CA 3.36Å; E2-K190 PolarHBondContact OE2-N 2.99Å
3K92.5Very high83.5Confident46 Ų4634 Ų3420%0.218%0.183CC..EExtended strand (participates in β ladder)trans-144.3152.3-176.260.9177.2-167165.70113.9F27 E29 A43 Y45 K46K3-F27 VanDerWaalsContact CA-O 3.31Å; K3-F27 WeakPolarHBondContact CA-O 3.47Å; K3-F27 HydrophobicContact CB-CB 4.34Å; K3-F27 HydrophobicContact CB-CD1 3.57Å; K3-F27 HydrophobicContact CB-CE1 4.4Å; K3-F27 HydrophobicContact CB-CG 4.43Å; K3-F27 HydrophobicContact CD-CD1 4.16Å; K3-F27 HydrophobicContact CD-CE1 4.23Å; K3-E29 IonicContact NZ-OE2 2.75Å; K3-E29 PolarHBondContact NZ-OE2 3.1Å; K3-A43 WeakPolarHBondContact CE-O 3.1Å; K3-A43 PolarHBondContact NZ-O 2.75Å; K3-Y45 HydrophobicContact CB-CD1 4.28Å; K3-Y45 HydrophobicContact CB-CE1 4.49Å; K3-Y45 HydrophobicContact CD-CD1 3.98Å; K3-Y45 HydrophobicContact CD-CE1 3.71Å; K3-Y45 HydrophobicContact CG-CD1 3.71Å; K3-Y45 HydrophobicContact CG-CE1 3.98Å; K3-Y45 WeakPolarHBondContact O-CA 3.43Å; K3-K46 PolarHBondContact O-N 3.11Å
4I96Very high82.6Confident0 Ų031.7 Ų31.70%017%0.171CC..EExtended strand (participates in β ladder)trans-121.9155.6175.176.1169.2000110.4V21 V26 F27 S28 E29 A47 I49 L183 L189I4-V21 HydrophobicContact CD1-CB 4.29Å; I4-V21 HydrophobicContact CD1-CG1 3.52Å; I4-V21 HydrophobicContact CD1-CG2 3.78Å; I4-V21 HydrophobicContact CG1-CG1 4.01Å; I4-V26 HydrophobicContact CG1-CG1 4.49Å; I4-V26 HydrophobicContact CG2-CG1 4.08Å; I4-F27 PolarHBondContact N-O 3.37Å; I4-S28 WeakPolarHBondContact O-CA 3.18Å; I4-E29 PolarHBondContact O-N 3.45Å; I4-E29 VanDerWaalsContact O-N 3.16Å; I4-A47 WeakPolarHBondContact CA-O 3.32Å; I4-A47 HydrophobicContact CB-CB 4.23Å; I4-A47 WeakPolarHBondContact CB-O 3.32Å; I4-A47 HydrophobicContact CG2-CB 3.75Å; I4-I49 HydrophobicContact CD1-CD1 3.67Å; I4-I49 HydrophobicContact CD1-CG1 4.14Å; I4-L183 HydrophobicContact CD1-CD2 3.69Å; I4-L183 HydrophobicContact CG2-CD2 4.36Å; I4-L189 HydrophobicContact CG2-CD1 3.66Å
5A95.1Very high82.2Confident0 Ų032.8 Ų32.80%017%0.174CC..EExtended strand (participates in β ladder)trans-106.1132.6171.300000110.5E29 L31 L40 Y45 A47 F48 I49A5-E29 WeakPolarHBondContact CA-O 3.22Å; A5-L31 HydrophobicContact CB-CD1 3.87Å; A5-L40 HydrophobicContact CB-CD2 4.11Å; A5-Y45 HydrophobicContact CB-CD1 3.81Å; A5-Y45 HydrophobicContact CB-CD2 3.84Å; A5-Y45 HydrophobicContact CB-CE1 3.98Å; A5-Y45 HydrophobicContact CB-CE2 4.01Å; A5-Y45 HydrophobicContact CB-CG 3.77Å; A5-A47 PolarHBondContact N-O 2.88Å; A5-F48 HydrophobicContact CB-CD1 3.96Å; A5-F48 HydrophobicContact CB-CE1 4.27Å; A5-F48 CarbonylContact O-C 3.55Å; A5-F48 WeakPolarHBondContact O-CA 3.3Å; A5-I49 PolarHBondContact O-N 3.12Å
6I94.3Very high82.3Confident0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans-100.6108.6170.5-59.8166.7000106.5D8 I17 D18 V21 E29 M30 L31 I49I6-D8 PolarHBondContact O-N 3.26Å; I6-I17 HydrophobicContact CD1-CB 4.27Å; I6-I17 HydrophobicContact CD1-CG2 3.75Å; I6-I17 HydrophobicContact CG1-CG2 4.08Å; I6-I17 HydrophobicContact CG2-CB 4.42Å; I6-I17 HydrophobicContact CG2-CD1 4.49Å; I6-I17 HydrophobicContact CG2-CG2 4.15Å; I6-D18 HydrophobicContact CD1-CB 3.77Å; I6-V21 HydrophobicContact CD1-CG2 4.47Å; I6-E29 PolarHBondContact N-O 3.11Å; I6-M30 HydrophobicContact CB-CG 4.08Å; I6-M30 HydrophobicContact CD1-CG 4.42Å; I6-M30 HydrophobicContact CG2-CG 4.23Å; I6-M30 CarbonylContact O-C 3.43Å; I6-M30 WeakPolarHBondContact O-CA 3.44Å; I6-L31 PolarHBondContact O-N 3.11Å; I6-I49 CarbonylContact C-O 3.56Å; I6-I49 WeakPolarHBondContact CA-O 3.49Å; I6-I49 HydrophobicContact CG1-CB 4.36Å
7L93.5Very high82.7Confident0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-84.2106178.6-63.9-172.4000109L31 I33 L40 I49 I50 S51 L69L7-L31 WeakPolarHBondContact CA-O 3.29Å; L7-L31 HydrophobicContact CD2-CB 4.16Å; L7-I33 HydrophobicContact CB-CG1 4.47Å; L7-L40 HydrophobicContact CD1-CD1 4.35Å; L7-L40 HydrophobicContact CD2-CD1 4.22Å; L7-L40 HydrophobicContact CD2-CD2 4.23Å; L7-I49 PolarHBondContact N-O 3Å; L7-I50 HydrophobicContact CB-CG1 4.34Å; L7-I50 HydrophobicContact CD1-CG1 4.34Å; L7-S51 PolarHBondContact O-N 3.32Å; L7-L69 HydrophobicContact CD1-CD1 3.28Å
8D88.3Confident83.1Confident29 Ų2927.7 Ų27.716%0.15515%0.147CC..EExtended strand (participates in β ladder)trans-87119.7-174.1-168.222.3000112.1I6 G10 A11 M30 L31 I33 S51I6-D8 PolarHBondContact O-N 3.26Å; D8-G10 VanDerWaalsContact C-N 3.34Å; D8-G10 PolarHBondContact OD1-N 3.08Å; D8-G10 VanDerWaalsContact OD1-N 3.14Å; D8-A11 PolarHBondContact OD1-N 3.07Å; D8-M30 HydrophobicContact CB-CE 3.81Å; D8-M30 WeakPolarHBondContact OD2-CE 3.46Å; D8-L31 PolarHBondContact N-O 3.27Å; D8-I33 WeakPolarHBondContact O-CB 3.25Å; D8-I33 WeakPolarHBondContact O-CG2 3.45Å; D8-I33 PolarHBondContact O-N 3.32Å; D8-I33 VanDerWaalsContact O-N 3.09Å; D8-S51 WeakPolarHBondContact CA-OG 3.48Å; D8-S51 PolarHBondContact OD1-OG 3.4Å
9A84.1Confident83.2Confident4 Ų429.3 Ų29.33%0.03315%0.151CC..SBendtrans-96.118.2174.600000112.9I33 S51 G52 S53 Y81A9-I33 HydrophobicContact CB-CB 4.42Å; A9-I33 HydrophobicContact CB-CD1 3.68Å; A9-I33 HydrophobicContact CB-CG2 4.39Å; A9-S51 PolarHBondContact N-OG 3.3Å; A9-G52 WeakPolarHBondContact CB-O 3.23Å; A9-S53 VanDerWaalsContact O-CB 3.28Å; A9-S53 WeakPolarHBondContact O-CB 3.32Å; A9-S53 PolarHBondContact O-OG 3.38Å; A9-Y81 HydrophobicContact CB-CD1 3.79Å; A9-Y81 HydrophobicContact CB-CE1 4.06Å
10G74.2Confident83.6Confident39 Ų3928.7 Ų28.740%0.40215%0.146SC..SBendtrans85.431.4-174.500000112.7D8 Q12 P54D8-G10 VanDerWaalsContact C-N 3.34Å; D8-G10 PolarHBondContact OD1-N 3.08Å; D8-G10 VanDerWaalsContact OD1-N 3.14Å; G10-Q12 PolarHBondContact O-N 3.31Å; G10-P54 WeakPolarHBondContact O-CD 3.5Å
11A70.8Confident84Confident13 Ų1327.3 Ų27.311%0.10714%0.139CC..  trans-61.6135.7-177.300000111.6D8 Y13 G14 S51 G52D8-A11 PolarHBondContact OD1-N 3.07Å; A11-Y13 PolarHBondContact O-N 3Å; A11-Y13 VanDerWaalsContact O-N 3.16Å; A11-G14 PolarHBondContact O-N 3.29Å; A11-S51 WeakPolarHBondContact CB-OG 3.31Å; A11-G52 WeakPolarHBondContact CA-O 3.33Å; A11-G52 WeakPolarHBondContact CB-O 3.42Å; A11-G52 PolarHBondContact N-O 3.29Å; A11-G52 VanDerWaalsContact N-O 3.14Å
12Q65.2Low84.6Confident111 Ų11120.6 Ų20.652%0.51911%0.106SC..THydrogen-bonded Turntrans-54.4-35.4168.2-172.4176.5-2.100111.6G10 M692G10-Q12 PolarHBondContact O-N 3.31Å; Q12-M692 VanDerWaalsContact O-CE 3.23Å; Q12-M692 WeakPolarHBondContact O-CE 3.25Å
13Y65.4Low84.6Confident13 Ų1323.1 Ų23.15%0.05112%0.118CC..THydrogen-bonded Turntrans-107.616.3-177.9-52.4-68.9000114.3A11 K15 V16 I17 L126 T128 H166 V169 M692 T693A11-Y13 PolarHBondContact O-N 3Å; A11-Y13 VanDerWaalsContact O-N 3.16Å; Y13-K15 VanDerWaalsContact C-N 3.26Å; Y13-K15 PolarHBondContact O-N 3.26Å; Y13-K15 VanDerWaalsContact O-N 3.15Å; Y13-V16 HydrophobicContact CD1-CG2 4.39Å; Y13-V16 WeakPolarHBondContact O-CA 3.34Å; Y13-V16 VanDerWaalsContact O-CB 3.29Å; Y13-V16 WeakPolarHBondContact O-CB 3.06Å; Y13-V16 PolarHBondContact O-N 3.22Å; Y13-I17 PolarHBondContact O-N 3.19Å; Y13-L126 HydrophobicContact CE2-CD2 4.36Å; Y13-T128 HydrophobicContact CE2-CG2 4.43Å; Y13-H166 AromaticContact CD2-ND1 3.81Å; Y13-V169 HydrophobicContact CD1-CG1 3.78Å; Y13-V169 HydrophobicContact CD2-CG1 4.22Å; Y13-V169 HydrophobicContact CE1-CG1 4.09Å; Y13-V169 HydrophobicContact CG-CG1 3.86Å; Y13-M692 HydrophobicContact CD1-CB 4.39Å; Y13-M692 HydrophobicContact CE1-CB 4.36Å; Y13-T693 HydrophobicContact CE1-CG2 4.28Å
14G70.3Confident84.6Confident2 Ų222.1 Ų22.12%0.02112%0.115CC..Hα-helixtrans-54.4-40-174.300000113.8A11 V16 I17A11-G14 PolarHBondContact O-N 3.29Å; G14-V16 VanDerWaalsContact C-N 3.25Å; G14-V16 PolarHBondContact O-N 3.13Å; G14-I17 WeakPolarHBondContact O-CB 3.47Å; G14-I17 PolarHBondContact O-N 2.86Å
15K77Confident84.4Confident48 Ų4824.1 Ų24.121%0.20913%0.129CC..Hα-helixtrans-62.6-28.9175.7-62.2-177.3-173.1-175.30113.3Y13 R19 P415 I418 E419Y13-K15 VanDerWaalsContact C-N 3.26Å; Y13-K15 PolarHBondContact O-N 3.26Å; Y13-K15 VanDerWaalsContact O-N 3.15Å; K15-R19 PolarHBondContact O-N 3.14Å; K15-R19 VanDerWaalsContact O-N 3.15Å; K15-P415 HydrophobicContact CD-CB 4.3Å; K15-P415 WeakPolarHBondContact CE-O 3.47Å; K15-P415 PolarHBondContact NZ-O 2.95Å; K15-I418 HydrophobicContact CD-CG2 4.33Å; K15-I418 HydrophobicContact CG-CB 4.36Å; K15-I418 HydrophobicContact CG-CD1 4.42Å; K15-I418 HydrophobicContact CG-CG2 3.8Å; K15-E419 VanDerWaalsContact NZ-CB 3.29Å; K15-E419 IonicContact NZ-OE2 2.83Å; K15-E419 PolarHBondContact NZ-OE2 3.3Å; K15-E419 VanDerWaalsContact NZ-OE2 3.08Å
16V83.1Confident84.2Confident6 Ų624.3 Ų24.34%0.03613%0.13CC..Hα-helixtrans-72.8-35.7-179.4-169.30000110.3Y13 G14 R19 R20 E168 D690 M692Y13-V16 HydrophobicContact CD1-CG2 4.39Å; Y13-V16 WeakPolarHBondContact O-CA 3.34Å; Y13-V16 VanDerWaalsContact O-CB 3.29Å; Y13-V16 WeakPolarHBondContact O-CB 3.06Å; Y13-V16 PolarHBondContact O-N 3.22Å; G14-V16 VanDerWaalsContact C-N 3.25Å; G14-V16 PolarHBondContact O-N 3.13Å; V16-R19 WeakPolarHBondContact O-CB 2.98Å; V16-R19 PolarHBondContact O-N 3.1Å; V16-R20 HydrophobicContact CG1-CG 4.47Å; V16-R20 WeakPolarHBondContact O-CG 3.3Å; V16-R20 PolarHBondContact O-N 3.39Å; V16-E168 HydrophobicContact CB-CB 4.28Å; V16-E168 HydrophobicContact CB-CG 4.02Å; V16-E168 HydrophobicContact CG1-CB 4.09Å; V16-E168 HydrophobicContact CG1-CG 4.19Å; V16-E168 WeakPolarHBondContact CG1-O 3.39Å; V16-D690 HydrophobicContact CG2-CB 4.12Å; V16-M692 HydrophobicContact CG2-CG 4.41Å
17I89.6Confident84.1Confident0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-58.5-50.7173.6-56170.5000110.1I6 Y13 G14 R19 R20 V21 I49 I79 E168I6-I17 HydrophobicContact CD1-CB 4.27Å; I6-I17 HydrophobicContact CD1-CG2 3.75Å; I6-I17 HydrophobicContact CG1-CG2 4.08Å; I6-I17 HydrophobicContact CG2-CB 4.42Å; I6-I17 HydrophobicContact CG2-CD1 4.49Å; I6-I17 HydrophobicContact CG2-CG2 4.15Å; Y13-I17 PolarHBondContact O-N 3.19Å; G14-I17 WeakPolarHBondContact O-CB 3.47Å; G14-I17 PolarHBondContact O-N 2.86Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 2.95Å; I17-R20 PolarHBondContact O-N 2.82Å; I17-V21 HydrophobicContact CG2-CG2 4.41Å; I17-V21 VanDerWaalsContact O-CG2 3.29Å; I17-V21 WeakPolarHBondContact O-CG2 3.36Å; I17-V21 PolarHBondContact O-N 3Å; I17-I49 HydrophobicContact CD1-CG2 4.46Å; I17-I49 HydrophobicContact CG2-CB 4.47Å; I17-I49 HydrophobicContact CG2-CD1 4.03Å; I17-I49 HydrophobicContact CG2-CG2 3.88Å; I17-I79 HydrophobicContact CD1-CD1 3.87Å; I17-I79 HydrophobicContact CG1-CD1 4.16Å; I17-E168 HydrophobicContact CB-CB 4.48Å; I17-E168 HydrophobicContact CG1-CB 3.77Å; I17-E168 HydrophobicContact CG1-CG 3.71Å
18D89.2Confident84Confident0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-57.4-43.6178.1178.783.8000111.6I6 R22 S28 M30 R414 H459I6-D18 HydrophobicContact CD1-CB 3.77Å; D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 3.23Å; D18-R22 VanDerWaalsContact O-N 3.14Å; D18-R22 IonicContact OD1-NE 2.86Å; D18-R22 PolarHBondContact OD1-NE 3.18Å; D18-R22 IonicContact OD2-NE 2.68Å; D18-S28 WeakPolarHBondContact OD1-CB 3.33Å; D18-S28 PolarHBondContact OD1-OG 3.39Å; D18-M30 HydrophobicContact CB-CG 4.19Å; D18-M30 HydrophobicContact CB-SD 4.13Å; D18-R414 IonicContact OD1-CZ 3.78Å; D18-R414 IonicContact OD1-NE 3.69Å; D18-R414 IonicContact OD1-NH2 2.76Å; D18-R414 PolarHBondContact OD1-NH2 2.88Å; D18-R414 IonicContact OD2-CZ 2.89Å; D18-R414 IonicContact OD2-NE 3.95Å; D18-R414 PolarHBondContact OD2-NE 3.21Å; D18-R414 IonicContact OD2-NH2 3.72Å; D18-H459 IonicContact OD2-CD2 3.78Å; D18-H459 IonicContact OD2-CE1 3.54Å; D18-H459 PolarHBondContact OD2-CE1 2.68Å; D18-H459 IonicContact OD2-NE2 2.68Å; D18-H459 PolarHBondContact OD2-NE2 2.75Å
19R86.4Confident84.1Confident59 Ų5927.4 Ų27.422%0.22314%0.143CC..Hα-helixtrans-59.2-48.5175.8-176.2-177.1175.5-149-4.7112.2K15 V16 I17 V21 R22 E23 D461 A689K15-R19 PolarHBondContact O-N 3.14Å; K15-R19 VanDerWaalsContact O-N 3.15Å; V16-R19 WeakPolarHBondContact O-CB 2.98Å; V16-R19 PolarHBondContact O-N 3.1Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 2.95Å; R19-V21 PolarHBondContact O-N 2.98Å; R19-R22 PolarHBondContact O-N 2.91Å; R19-E23 WeakPolarHBondContact O-CB 3.49Å; R19-E23 PolarHBondContact O-N 3.34Å; R19-D461 IonicContact CZ-OD2 3.9Å; R19-D461 IonicContact NE-OD2 2.69Å; R19-D461 PolarHBondContact NE-OD2 3.38Å; R19-D461 VanDerWaalsContact NE-OD2 3.09Å; R19-D461 IonicContact NH2-OD2 3.55Å; R19-D461 PolarHBondContact NH2-OD2 2.85Å; R19-A689 PolarHBondContact NH1-O 3.31Å
20R90.6Very high84.3Confident16 Ų1628.9 Ų28.96%0.0615%0.15CC..Hα-helixtrans-66-38.2-178.1-67-56-178.1-175.6-1.2113.5V16 I17 R22 E23 L24 E168 D170 L179V16-R20 HydrophobicContact CG1-CG 4.47Å; V16-R20 WeakPolarHBondContact O-CG 3.3Å; V16-R20 PolarHBondContact O-N 3.39Å; I17-R20 PolarHBondContact O-N 2.82Å; R20-R22 VanDerWaalsContact C-N 3.3Å; R20-R22 PolarHBondContact O-N 3.49Å; R20-E23 WeakPolarHBondContact CD-OE2 3.34Å; R20-E23 IonicContact CZ-OE2 3.99Å; R20-E23 IonicContact NE-OE2 3.65Å; R20-E23 IonicContact NH1-OE1 3.99Å; R20-E23 IonicContact NH1-OE2 3.5Å; R20-E23 PolarHBondContact NH1-OE2 2.89Å; R20-E23 PolarHBondContact O-N 3.42Å; R20-L24 WeakPolarHBondContact O-CG 3.49Å; R20-L24 PolarHBondContact O-N 3.36Å; R20-L24 VanDerWaalsContact O-N 3.14Å; R20-E168 HydrophobicContact CG-CB 4.45Å; R20-E168 WeakPolarHBondContact CG-O 3.42Å; R20-E168 PolarHBondContact NE-O 2.96Å; R20-D170 IonicContact CZ-OD1 2.91Å; R20-D170 IonicContact NH1-OD1 3.57Å; R20-D170 IonicContact NH2-OD1 3.68Å; R20-D170 PolarHBondContact NH2-OD1 3.04Å; R20-D170 IonicContact NH2-OD2 3.55Å; R20-D170 PolarHBondContact NH2-OD2 3.37Å; R20-L179 HydrophobicContact CB-CD1 3.45Å; R20-L179 VanDerWaalsContact CB-CD1 3.45Å; R20-L179 HydrophobicContact CG-CD1 3.92Å
21V92.7Very high85.1Confident0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-63.1-41.5176.11740000110.4I4 I6 I17 R19 L24 V26 I49 L183I4-V21 HydrophobicContact CD1-CB 4.29Å; I4-V21 HydrophobicContact CD1-CG1 3.52Å; I4-V21 HydrophobicContact CD1-CG2 3.78Å; I4-V21 HydrophobicContact CG1-CG1 4.01Å; I6-V21 HydrophobicContact CD1-CG2 4.47Å; I17-V21 HydrophobicContact CG2-CG2 4.41Å; I17-V21 VanDerWaalsContact O-CG2 3.29Å; I17-V21 WeakPolarHBondContact O-CG2 3.36Å; I17-V21 PolarHBondContact O-N 3Å; R19-V21 PolarHBondContact O-N 2.98Å; V21-L24 CarbonylContact O-C 3.51Å; V21-L24 WeakPolarHBondContact O-CB 3.37Å; V21-L24 PolarHBondContact O-N 3.32Å; V21-V26 HydrophobicContact CG1-CB 3.71Å; V21-V26 HydrophobicContact CG1-CG1 3.72Å; V21-V26 PolarHBondContact O-N 2.89Å; V21-V26 VanDerWaalsContact O-N 3.15Å; V21-I49 HydrophobicContact CG2-CD1 3.92Å; V21-L183 HydrophobicContact CB-CD1 4.37Å; V21-L183 HydrophobicContact CG1-CD1 4.08Å; V21-L183 HydrophobicContact CG1-CD2 4.47Å; V21-L183 HydrophobicContact CG2-CD1 4.21Å
22R89.2Confident85.9Confident5 Ų529.9 Ų29.92%0.01915%0.146CC..Hα-helixtrans-72.5-35177.7-71.5175.1171.6-108.8-12.9113.4D18 R19 R20 L24 S25 F27 S28 Y193 R414 D457D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 3.23Å; D18-R22 VanDerWaalsContact O-N 3.14Å; D18-R22 IonicContact OD1-NE 2.86Å; D18-R22 PolarHBondContact OD1-NE 3.18Å; D18-R22 IonicContact OD2-NE 2.68Å; R19-R22 PolarHBondContact O-N 2.91Å; R20-R22 VanDerWaalsContact C-N 3.3Å; R20-R22 PolarHBondContact O-N 3.49Å; R22-L24 PolarHBondContact O-N 3.42Å; R22-S25 WeakPolarHBondContact O-CA 3.45Å; R22-S25 PolarHBondContact O-N 2.8Å; R22-F27 VanDerWaalsContact NH2-CE2 3.34Å; R22-S28 PolarHBondContact NE-OG 3.24Å; R22-S28 PolarHBondContact NH2-O 2.81Å; R22-Y193 HydrophobicContact CG-CE1 4.28Å; R22-Y193 PolarHBondContact NH1-OH 2.85Å; R22-R414 VanDerWaalsContact NH2-NH2 3.16Å; R22-D457 IonicContact CZ-OD1 3.67Å; R22-D457 PolarHBondContact NH1-O 3.42Å; R22-D457 VanDerWaalsContact NH1-O 3.14Å; R22-D457 IonicContact NH1-OD1 2.81Å; R22-D457 PolarHBondContact NH1-OD1 3.05Å; R22-D457 IonicContact NH2-OD1 2.85Å
23E88.8Confident87Confident94 Ų9425 Ų2544%0.43912%0.123SC..Hα-helixtrans-57.3-35.7170-174.2179.7179.100110.9R19 R20 S25R19-E23 WeakPolarHBondContact O-CB 3.49Å; R19-E23 PolarHBondContact O-N 3.34Å; R20-E23 WeakPolarHBondContact CD-OE2 3.34Å; R20-E23 IonicContact CZ-OE2 3.99Å; R20-E23 IonicContact NE-OE2 3.65Å; R20-E23 IonicContact NH1-OE1 3.99Å; R20-E23 IonicContact NH1-OE2 3.5Å; R20-E23 PolarHBondContact NH1-OE2 2.89Å; R20-E23 PolarHBondContact O-N 3.42Å; E23-S25 PolarHBondContact O-N 2.86Å
24L92.3Very high88.1Confident26 Ų2629.6 Ų29.614%0.13615%0.149CC..THydrogen-bonded Turntrans-80.814.5172.1-64.9172.7000113.4R20 V21 R22 V26 L176 L179 K180 L183 F184R20-L24 WeakPolarHBondContact O-CG 3.49Å; R20-L24 PolarHBondContact O-N 3.36Å; R20-L24 VanDerWaalsContact O-N 3.14Å; V21-L24 CarbonylContact O-C 3.51Å; V21-L24 WeakPolarHBondContact O-CB 3.37Å; V21-L24 PolarHBondContact O-N 3.32Å; R22-L24 PolarHBondContact O-N 3.42Å; L24-V26 VanDerWaalsContact C-N 3.29Å; L24-V26 PolarHBondContact O-N 2.78Å; L24-L176 HydrophobicContact CD1-CD1 4.06Å; L24-L176 HydrophobicContact CD2-CD1 4Å; L24-L176 HydrophobicContact CD2-CG 4.42Å; L24-L176 HydrophobicContact CG-CD1 3.95Å; L24-L179 HydrophobicContact CD1-CB 4.04Å; L24-K180 HydrophobicContact CD1-CB 4.16Å; L24-K180 HydrophobicContact CD2-CB 4.28Å; L24-K180 HydrophobicContact CD2-CG 4.38Å; L24-L183 HydrophobicContact CB-CD1 4.18Å; L24-L183 HydrophobicContact CD1-CD1 3.76Å; L24-F184 HydrophobicContact CB-CE2 4.03Å; L24-F184 HydrophobicContact CB-CZ 4.25Å; L24-F184 HydrophobicContact CD2-CE2 4.32Å; L24-F184 VanDerWaalsContact O-CZ 3.29Å; L24-F184 WeakPolarHBondContact O-CZ 3.41Å
25S91.5Very high89Confident42 Ų4230.1 Ų30.129%0.29415%0.151SC..THydrogen-bonded Turntrans59.533.5176.9-51.90000114.4R22 E23 G191 D192 Y193R22-S25 WeakPolarHBondContact O-CA 3.45Å; R22-S25 PolarHBondContact O-N 2.8Å; E23-S25 PolarHBondContact O-N 2.86Å; S25-G191 WeakPolarHBondContact CB-O 3.41Å; S25-G191 CarbonylContact O-C 3.59Å; S25-G191 WeakPolarHBondContact O-CA 3.49Å; S25-D192 PolarHBondContact O-N 3.45Å; S25-Y193 WeakPolarHBondContact CA-O 3.49Å; S25-Y193 WeakPolarHBondContact O-CA 3.17Å; S25-Y193 VanDerWaalsContact O-CB 3.26Å; S25-Y193 WeakPolarHBondContact O-CB 3.35Å; S25-Y193 PolarHBondContact O-N 2.96Å
26V92.7Very high89.7Confident4 Ų431 Ų312%0.02416%0.162CC..  trans-112.8136.7172.5173.20000109.5I4 V21 L24 L183 F184 L189I4-V26 HydrophobicContact CG1-CG1 4.49Å; I4-V26 HydrophobicContact CG2-CG1 4.08Å; V21-V26 HydrophobicContact CG1-CB 3.71Å; V21-V26 HydrophobicContact CG1-CG1 3.72Å; V21-V26 PolarHBondContact O-N 2.89Å; V21-V26 VanDerWaalsContact O-N 3.15Å; L24-V26 VanDerWaalsContact C-N 3.29Å; L24-V26 PolarHBondContact O-N 2.78Å; V26-L183 HydrophobicContact CB-CD1 4.47Å; V26-L183 HydrophobicContact CG2-CD1 4.28Å; V26-F184 HydrophobicContact CG2-CE1 4.37Å; V26-F184 HydrophobicContact CG2-CZ 4.24Å; V26-L189 HydrophobicContact CG1-CD1 3.67Å; V26-L189 HydrophobicContact CG2-CB 4.35Å; V26-L189 HydrophobicContact CG2-CD1 4.03Å
27F91.1Very high90.2Very high36 Ų3631.6 Ų31.616%0.15817%0.165CC..EExtended strand (participates in β ladder)trans-76.1130.3174.8-176.7-97.6000110.9M1 K3 I4 R22 E29 Y193M1-F27 HydrophobicContact CG-CB 4.12Å; M1-F27 HydrophobicContact SD-CB 3.73Å; M1-F27 HydrophobicContact SD-CD1 4.49Å; M1-F27 HydrophobicContact SD-CD2 3.94Å; M1-F27 HydrophobicContact SD-CG 3.81Å; K3-F27 VanDerWaalsContact CA-O 3.31Å; K3-F27 WeakPolarHBondContact CA-O 3.47Å; K3-F27 HydrophobicContact CB-CB 4.34Å; K3-F27 HydrophobicContact CB-CD1 3.57Å; K3-F27 HydrophobicContact CB-CE1 4.4Å; K3-F27 HydrophobicContact CB-CG 4.43Å; K3-F27 HydrophobicContact CD-CD1 4.16Å; K3-F27 HydrophobicContact CD-CE1 4.23Å; I4-F27 PolarHBondContact N-O 3.37Å; R22-F27 VanDerWaalsContact NH2-CE2 3.34Å; F27-E29 HydrophobicContact CD1-CG 4.25Å; F27-E29 HydrophobicContact CE1-CG 3.39Å; F27-E29 HydrophobicContact CZ-CG 3.87Å; F27-Y193 HydrophobicContact CB-CD1 4.25Å; F27-Y193 HydrophobicContact CB-CD2 4.06Å; F27-Y193 HydrophobicContact CB-CE2 4.4Å; F27-Y193 HydrophobicContact CB-CG 3.97Å; F27-Y193 HydrophobicContact CD2-CD2 4.07Å; F27-Y193 HydrophobicContact CD2-CE1 4.02Å; F27-Y193 AromaticContact CD2-CE2 3.54Å; F27-Y193 HydrophobicContact CD2-CE2 3.54Å; F27-Y193 AromaticContact CD2-CZ 3.5Å; F27-Y193 VanDerWaalsContact CD2-CZ 3.5Å; F27-Y193 HydrophobicContact CE2-CE2 4.31Å; F27-Y193 HydrophobicContact CG-CE2 4.41Å
28S92.2Very high90.3Very high0 Ų037 Ų370%019%0.19CC..EExtended strand (participates in β ladder)trans-125.6147.9176.952.40000112I4 D18 R22 R414I4-S28 WeakPolarHBondContact O-CA 3.18Å; D18-S28 WeakPolarHBondContact OD1-CB 3.33Å; D18-S28 PolarHBondContact OD1-OG 3.39Å; R22-S28 PolarHBondContact NE-OG 3.24Å; R22-S28 PolarHBondContact NH2-O 2.81Å; S28-R414 PolarHBondContact O-NH2 2.99Å
29E90.4Very high90.5Very high58 Ų5842.7 Ų42.727%0.27122%0.218SC..EExtended strand (participates in β ladder)trans-124.1129.6168.7-62.3-176.997.800108.9K3 I4 A5 I6 F27 Y45K3-E29 IonicContact NZ-OE2 2.75Å; K3-E29 PolarHBondContact NZ-OE2 3.1Å; I4-E29 PolarHBondContact O-N 3.45Å; I4-E29 VanDerWaalsContact O-N 3.16Å; A5-E29 WeakPolarHBondContact CA-O 3.22Å; I6-E29 PolarHBondContact N-O 3.11Å; F27-E29 HydrophobicContact CD1-CG 4.25Å; F27-E29 HydrophobicContact CE1-CG 3.39Å; F27-E29 HydrophobicContact CZ-CG 3.87Å; E29-Y45 HydrophobicContact CB-CE1 4.26Å; E29-Y45 VanDerWaalsContact CD-OH 3.25Å; E29-Y45 HydrophobicContact CG-CE1 4.38Å; E29-Y45 WeakPolarHBondContact OE2-CE1 3.38Å; E29-Y45 VanDerWaalsContact OE2-CZ 3.28Å; E29-Y45 PolarHBondContact OE2-OH 3.44Å
30M87.4Confident90.8Very high35 Ų3539.9 Ų39.917%0.17221%0.208CC..EExtended strand (participates in β ladder)trans-84.3128.3169.9-77.3-173.565.300109.2I6 D8 D18 I418I6-M30 HydrophobicContact CB-CG 4.08Å; I6-M30 HydrophobicContact CD1-CG 4.42Å; I6-M30 HydrophobicContact CG2-CG 4.23Å; I6-M30 CarbonylContact O-C 3.43Å; I6-M30 WeakPolarHBondContact O-CA 3.44Å; D8-M30 HydrophobicContact CB-CE 3.81Å; D8-M30 WeakPolarHBondContact OD2-CE 3.46Å; D18-M30 HydrophobicContact CB-CG 4.19Å; D18-M30 HydrophobicContact CB-SD 4.13Å; M30-I418 HydrophobicContact CE-CG2 3.77Å; M30-I418 HydrophobicContact SD-CD1 3.82Å; M30-I418 HydrophobicContact SD-CG1 4.19Å; M30-I418 HydrophobicContact SD-CG2 3.6Å; M30-I418 VanDerWaalsContact SD-CG2 3.6Å
31L90.5Very high90.9Very high30 Ų3043.4 Ų43.416%0.15723%0.226CC..EExtended strand (participates in β ladder)trans-132.1153.5-178-60.7175.4000109.7A5 I6 L7 D8 T35 L40 Y45A5-L31 HydrophobicContact CB-CD1 3.87Å; I6-L31 PolarHBondContact O-N 3.11Å; L7-L31 WeakPolarHBondContact CA-O 3.29Å; L7-L31 HydrophobicContact CD2-CB 4.16Å; D8-L31 PolarHBondContact N-O 3.27Å; L31-T35 HydrophobicContact CD1-CG2 4.47Å; L31-L40 HydrophobicContact CD1-CD2 3.46Å; L31-L40 VanDerWaalsContact CD1-CD2 3.46Å; L31-Y45 HydrophobicContact CD1-CE2 3.85Å
32P88.2Confident91Very high43 Ų4352.5 Ų52.528%0.27927%0.265SS..EExtended strand (participates in β ladder)trans-55.4140.4171.8-24.834.7000111.6N34 T35 V425P32-N34 WeakPolarHBondContact CB-OD1 3.44Å; P32-N34 PolarHBondContact O-N 3.47Å; P32-N34 VanDerWaalsContact O-N 3.15Å; P32-T35 WeakPolarHBondContact O-CB 3.3Å; P32-T35 PolarHBondContact O-N 3.46Å; P32-T35 PolarHBondContact O-OG1 3Å; P32-V425 HydrophobicContact CB-CG1 4.26Å; P32-V425 HydrophobicContact CG-CG2 3.98Å
33I88.7Confident91.1Very high8 Ų853.7 Ų53.74%0.04128%0.276CS..THydrogen-bonded Turntrans-58.2-29.4179.5-175.8167.3000114L7 D8 A9 T35 I50 C63 C65 Y81 L85L7-I33 HydrophobicContact CB-CG1 4.47Å; D8-I33 WeakPolarHBondContact O-CB 3.25Å; D8-I33 WeakPolarHBondContact O-CG2 3.45Å; D8-I33 PolarHBondContact O-N 3.32Å; D8-I33 VanDerWaalsContact O-N 3.09Å; A9-I33 HydrophobicContact CB-CB 4.42Å; A9-I33 HydrophobicContact CB-CD1 3.68Å; A9-I33 HydrophobicContact CB-CG2 4.39Å; I33-T35 PolarHBondContact O-N 3.15Å; I33-I50 HydrophobicContact CD1-CG2 3.76Å; I33-C63 HydrophobicContact CG2-CB 3.65Å; I33-C65 HydrophobicContact CD1-CB 4.33Å; I33-C65 HydrophobicContact CG1-CB 3.74Å; I33-C65 VanDerWaalsContact O-CA 3.3Å; I33-C65 WeakPolarHBondContact O-CA 3.21Å; I33-C65 WeakPolarHBondContact O-CB 2.78Å; I33-Y81 HydrophobicContact CD1-CE1 4.3Å; I33-L85 HydrophobicContact CD1-CD2 3.99Å
34N88.2Confident91.3Very high110 Ų11053.8 Ų53.859%0.58828%0.28SS*.THydrogen-bonded Turntrans-82.69.9177.968.3-17.2000114P32 P36P32-N34 WeakPolarHBondContact CB-OD1 3.44Å; P32-N34 PolarHBondContact O-N 3.47Å; P32-N34 VanDerWaalsContact O-N 3.15Å; N34-P36 WeakPolarHBondContact O-CD 3.45Å
35T90Very high91.4Very high12 Ų1253.4 Ų53.47%0.07428%0.277CS..  trans-57.6124.9176.9-59.10000109.9L31 P32 I33 M39 L40L31-T35 HydrophobicContact CD1-CG2 4.47Å; P32-T35 WeakPolarHBondContact O-CB 3.3Å; P32-T35 PolarHBondContact O-N 3.46Å; P32-T35 PolarHBondContact O-OG1 3Å; I33-T35 PolarHBondContact O-N 3.15Å; T35-M39 HydrophobicContact CG2-CB 4.32Å; T35-M39 HydrophobicContact CG2-CG 4.38Å; T35-M39 HydrophobicContact CG2-SD 4.16Å; T35-L40 HydrophobicContact CG2-CD2 3.71Å; T35-L40 HydrophobicContact CG2-CG 3.95Å
36P91.7Very high91.7Very high66 Ų6655.2 Ų55.243%0.42928%0.28SS..  trans-61.1141-178.3-24.433.9000112.6N34 E38 M39 L40N34-P36 WeakPolarHBondContact O-CD 3.45Å; P36-E38 WeakPolarHBondContact CB-OE2 3.35Å; P36-E38 PolarHBondContact O-N 3.41Å; P36-M39 WeakPolarHBondContact O-CB 3.45Å; P36-M39 PolarHBondContact O-N 3.01Å; P36-M39 VanDerWaalsContact O-N 3.07Å; P36-L40 PolarHBondContact O-N 3.02Å
37L92.5Very high91.9Very high20 Ų2055 Ų5511%0.10528%0.278CS..Hα-helixtrans-57-36.3180177.663.4000112M39 L40 M41 F48 D66 K68 A72L37-M39 VanDerWaalsContact C-N 3.25Å; L37-M39 PolarHBondContact O-N 2.79Å; L37-L40 WeakPolarHBondContact O-CB 3.38Å; L37-L40 PolarHBondContact O-N 3.33Å; L37-L40 VanDerWaalsContact O-N 3.13Å; L37-M41 HydrophobicContact CD1-CG 3.73Å; L37-M41 HydrophobicContact CD1-SD 4.08Å; L37-M41 HydrophobicContact CG-CG 3.92Å; L37-M41 VanDerWaalsContact O-CG 3.31Å; L37-M41 WeakPolarHBondContact O-CG 3.29Å; L37-M41 PolarHBondContact O-N 3.29Å; L37-F48 HydrophobicContact CD1-CE2 4.32Å; L37-F48 HydrophobicContact CD1-CZ 4.44Å; L37-D66 VanDerWaalsContact CB-OD2 3.32Å; L37-D66 WeakPolarHBondContact CB-OD2 3.49Å; L37-D66 PolarHBondContact N-OD2 3.31Å; L37-K68 HydrophobicContact CD2-CB 3.68Å; L37-A72 HydrophobicContact CD1-CB 3.9Å; L37-A72 HydrophobicContact CD2-CB 3.94Å
38E92.3Very high92.1Very high113 Ų11353.3 Ų53.353%0.52827%0.271SS..Hα-helixtrans-60.8-36.5-179.4-59.382.5-174.800111.9P36 K42 K68P36-E38 WeakPolarHBondContact CB-OE2 3.35Å; P36-E38 PolarHBondContact O-N 3.41Å; E38-K42 VanDerWaalsContact O-CB 3.23Å; E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 2.66Å; E38-K68 IonicContact OE1-NZ 3.56Å
39M92.4Very high92.3Very high120 Ų12053.3 Ų53.359%0.59127%0.271SS*.Hα-helixtrans-70.5-41.1176.3-177.3171.7170.500111.4T35 P36 L37 K42 A43T35-M39 HydrophobicContact CG2-CB 4.32Å; T35-M39 HydrophobicContact CG2-CG 4.38Å; T35-M39 HydrophobicContact CG2-SD 4.16Å; P36-M39 WeakPolarHBondContact O-CB 3.45Å; P36-M39 PolarHBondContact O-N 3.01Å; P36-M39 VanDerWaalsContact O-N 3.07Å; L37-M39 VanDerWaalsContact C-N 3.25Å; L37-M39 PolarHBondContact O-N 2.79Å; M39-K42 PolarHBondContact O-N 3.43Å; M39-A43 WeakPolarHBondContact O-CB 3.48Å; M39-A43 PolarHBondContact O-N 3.23Å; M39-A43 VanDerWaalsContact O-N 3.11Å
40L93.6Very high92.6Very high0 Ų050.6 Ų50.60%026%0.258CS..Hα-helixtrans-63.1-46.2177-62.3176000111.5A5 L7 L31 T35 P36 L37 A43 D44 Y45 F48 L69A5-L40 HydrophobicContact CB-CD2 4.11Å; L7-L40 HydrophobicContact CD1-CD1 4.35Å; L7-L40 HydrophobicContact CD2-CD1 4.22Å; L7-L40 HydrophobicContact CD2-CD2 4.23Å; L31-L40 HydrophobicContact CD1-CD2 3.46Å; L31-L40 VanDerWaalsContact CD1-CD2 3.46Å; T35-L40 HydrophobicContact CG2-CD2 3.71Å; T35-L40 HydrophobicContact CG2-CG 3.95Å; P36-L40 PolarHBondContact O-N 3.02Å; L37-L40 WeakPolarHBondContact O-CB 3.38Å; L37-L40 PolarHBondContact O-N 3.33Å; L37-L40 VanDerWaalsContact O-N 3.13Å; L40-A43 PolarHBondContact O-N 2.65Å; L40-D44 PolarHBondContact O-N 3.09Å; L40-Y45 HydrophobicContact CB-CD2 4.11Å; L40-Y45 HydrophobicContact CD2-CD2 3.91Å; L40-Y45 HydrophobicContact CD2-CE2 3.88Å; L40-Y45 VanDerWaalsContact O-CD2 3.22Å; L40-Y45 WeakPolarHBondContact O-CD2 3.38Å; L40-F48 HydrophobicContact CB-CE1 3.85Å; L40-F48 HydrophobicContact CB-CZ 3.87Å; L40-F48 HydrophobicContact CD1-CD1 4.39Å; L40-F48 HydrophobicContact CD1-CE1 3.91Å; L40-F48 HydrophobicContact CD1-CZ 4.1Å; L40-F48 HydrophobicContact CD2-CE1 4.39Å; L40-F48 HydrophobicContact CG-CE1 4.27Å; L40-L69 HydrophobicContact CD1-CD1 3.96Å
41M93.2Very high92.7Very high90 Ų9048.9 Ų48.944%0.44325%0.25SC..Hα-helixtrans-67.2-40179-65.4-57-66.800111.7L37 A43 D44 A72 V74L37-M41 HydrophobicContact CD1-CG 3.73Å; L37-M41 HydrophobicContact CD1-SD 4.08Å; L37-M41 HydrophobicContact CG-CG 3.92Å; L37-M41 VanDerWaalsContact O-CG 3.31Å; L37-M41 WeakPolarHBondContact O-CG 3.29Å; L37-M41 PolarHBondContact O-N 3.29Å; M41-A43 PolarHBondContact O-N 3.05Å; M41-D44 PolarHBondContact O-N 3.03Å; M41-A72 HydrophobicContact SD-CB 4.44Å; M41-V74 HydrophobicContact CE-CG2 4.23Å; M41-V74 HydrophobicContact SD-CG2 3.92Å
42K93.4Very high92.5Very high190 Ų19047.5 Ų47.583%0.82624%0.243SC*.Hα-helixtrans-61.2-33.1175.3-175.8179.5179.7-1770112.4E38 M39 D44E38-K42 VanDerWaalsContact O-CB 3.23Å; E38-K42 WeakPolarHBondContact O-CB 3.48Å; E38-K42 PolarHBondContact O-N 2.66Å; M39-K42 PolarHBondContact O-N 3.43Å; K42-D44 PolarHBondContact O-N 2.96Å
43A91.9Very high92.2Very high30 Ų3046.5 Ų46.525%0.24824%0.237CC..THydrogen-bonded Turntrans-78.4-3.6176.200000113.6K3 M39 L40 M41 Y45K3-A43 WeakPolarHBondContact CE-O 3.1Å; K3-A43 PolarHBondContact NZ-O 2.75Å; M39-A43 WeakPolarHBondContact O-CB 3.48Å; M39-A43 PolarHBondContact O-N 3.23Å; M39-A43 VanDerWaalsContact O-N 3.11Å; L40-A43 PolarHBondContact O-N 2.65Å; M41-A43 PolarHBondContact O-N 3.05Å; A43-Y45 HydrophobicContact CB-CD2 3.84Å; A43-Y45 HydrophobicContact CB-CE2 3.39Å
44D93.4Very high91.5Very high97 Ų9751.2 Ų51.252%0.51927%0.268SS..THydrogen-bonded Turntrans5940.5179.1-16536.9000114.6L40 M41 K42 K46L40-D44 PolarHBondContact O-N 3.09Å; M41-D44 PolarHBondContact O-N 3.03Å; K42-D44 PolarHBondContact O-N 2.96Å; D44-K46 IonicContact OD1-NZ 2.68Å; D44-K46 PolarHBondContact OD1-NZ 3.42Å; D44-K46 WeakPolarHBondContact OD2-CE 3.49Å; D44-K46 IonicContact OD2-NZ 3.9Å; D44-K46 PolarHBondContact OD2-NZ 3.43Å
45Y95.3Very high90.9Very high17 Ų1747.3 Ų47.37%0.06725%0.247CC..  trans-67.2134.8171.2-65.4-67.3000111.4K3 A5 E29 L31 L40 A43 F48K3-Y45 HydrophobicContact CB-CD1 4.28Å; K3-Y45 HydrophobicContact CB-CE1 4.49Å; K3-Y45 HydrophobicContact CD-CD1 3.98Å; K3-Y45 HydrophobicContact CD-CE1 3.71Å; K3-Y45 HydrophobicContact CG-CD1 3.71Å; K3-Y45 HydrophobicContact CG-CE1 3.98Å; K3-Y45 WeakPolarHBondContact O-CA 3.43Å; A5-Y45 HydrophobicContact CB-CD1 3.81Å; A5-Y45 HydrophobicContact CB-CD2 3.84Å; A5-Y45 HydrophobicContact CB-CE1 3.98Å; A5-Y45 HydrophobicContact CB-CE2 4.01Å; A5-Y45 HydrophobicContact CB-CG 3.77Å; E29-Y45 HydrophobicContact CB-CE1 4.26Å; E29-Y45 VanDerWaalsContact CD-OH 3.25Å; E29-Y45 HydrophobicContact CG-CE1 4.38Å; E29-Y45 WeakPolarHBondContact OE2-CE1 3.38Å; E29-Y45 VanDerWaalsContact OE2-CZ 3.28Å; E29-Y45 PolarHBondContact OE2-OH 3.44Å; L31-Y45 HydrophobicContact CD1-CE2 3.85Å; L40-Y45 HydrophobicContact CB-CD2 4.11Å; L40-Y45 HydrophobicContact CD2-CD2 3.91Å; L40-Y45 HydrophobicContact CD2-CE2 3.88Å; L40-Y45 VanDerWaalsContact O-CD2 3.22Å; L40-Y45 WeakPolarHBondContact O-CD2 3.38Å; A43-Y45 HydrophobicContact CB-CD2 3.84Å; A43-Y45 HydrophobicContact CB-CE2 3.39Å; Y45-F48 HydrophobicContact CD2-CE1 4.35Å; Y45-F48 HydrophobicContact CG-CE1 4.34Å
46K95.7Very high90.4Very high81 Ų8147.9 Ų47.935%0.35225%0.251SS..SBendtrans-91.5-14.9-177.1-58.3-54.8177.9-165.50114.1K3 D44 P75 L189K3-K46 PolarHBondContact O-N 3.11Å; D44-K46 IonicContact OD1-NZ 2.68Å; D44-K46 PolarHBondContact OD1-NZ 3.42Å; D44-K46 WeakPolarHBondContact OD2-CE 3.49Å; D44-K46 IonicContact OD2-NZ 3.9Å; D44-K46 PolarHBondContact OD2-NZ 3.43Å; K46-P75 WeakPolarHBondContact O-CD 3.29Å; K46-L189 HydrophobicContact CB-CD2 3.68Å; K46-L189 HydrophobicContact CG-CD2 4.16Å
47A97Very high89.6Confident0 Ų044.8 Ų44.80%023%0.231CC..  trans-159.1159.9177.400000110.9I4 A5 P75 F182 C187I4-A47 WeakPolarHBondContact CA-O 3.32Å; I4-A47 HydrophobicContact CB-CB 4.23Å; I4-A47 WeakPolarHBondContact CB-O 3.32Å; I4-A47 HydrophobicContact CG2-CB 3.75Å; A5-A47 PolarHBondContact N-O 2.88Å; A47-P75 WeakPolarHBondContact CA-O 3.38Å; A47-P75 HydrophobicContact CB-CB 4.3Å; A47-F182 HydrophobicContact CB-CE1 4.16Å; A47-F182 HydrophobicContact CB-CZ 4.13Å; A47-C187 HydrophobicContact CB-CB 4.23Å; A47-C187 WeakPolarHBondContact CB-SG 3.47Å
48F96.6Very high88.6Confident0 Ų049.5 Ų49.50%025%0.249CC..EExtended strand (participates in β ladder)trans-121.7137.3174.6-54.5-51.1000110.8A5 L37 L40 Y45 L69 V74 P75 V76 L77A5-F48 HydrophobicContact CB-CD1 3.96Å; A5-F48 HydrophobicContact CB-CE1 4.27Å; A5-F48 CarbonylContact O-C 3.55Å; A5-F48 WeakPolarHBondContact O-CA 3.3Å; L37-F48 HydrophobicContact CD1-CE2 4.32Å; L37-F48 HydrophobicContact CD1-CZ 4.44Å; L40-F48 HydrophobicContact CB-CE1 3.85Å; L40-F48 HydrophobicContact CB-CZ 3.87Å; L40-F48 HydrophobicContact CD1-CD1 4.39Å; L40-F48 HydrophobicContact CD1-CE1 3.91Å; L40-F48 HydrophobicContact CD1-CZ 4.1Å; L40-F48 HydrophobicContact CD2-CE1 4.39Å; L40-F48 HydrophobicContact CG-CE1 4.27Å; Y45-F48 HydrophobicContact CD2-CE1 4.35Å; Y45-F48 HydrophobicContact CG-CE1 4.34Å; F48-L69 HydrophobicContact CD2-CD1 3.87Å; F48-L69 HydrophobicContact CD2-CD2 3.94Å; F48-L69 HydrophobicContact CD2-CG 3.73Å; F48-L69 HydrophobicContact CE2-CD1 4.26Å; F48-L69 HydrophobicContact CE2-CG 4.06Å; F48-L69 HydrophobicContact CG-CD1 4.14Å; F48-L69 HydrophobicContact CG-CG 4.44Å; F48-V74 HydrophobicContact CD2-CB 4.09Å; F48-V74 HydrophobicContact CD2-CG1 3.78Å; F48-V74 HydrophobicContact CE2-CB 3.68Å; F48-V74 HydrophobicContact CE2-CG1 3.57Å; F48-V74 HydrophobicContact CE2-CG2 4.17Å; F48-V74 HydrophobicContact CG-CG1 4.43Å; F48-V74 HydrophobicContact CZ-CB 4.43Å; F48-V74 HydrophobicContact CZ-CG1 4.04Å; F48-P75 PolarHBondContact N-O 3.09Å; F48-V76 HydrophobicContact CB-CG1 4.3Å; F48-V76 HydrophobicContact CB-CG2 4.32Å; F48-V76 HydrophobicContact CD2-CG2 4.2Å; F48-V76 CarbonylContact O-C 3.48Å; F48-V76 VanDerWaalsContact O-CA 3.29Å; F48-V76 WeakPolarHBondContact O-CA 3.4Å; F48-L77 PolarHBondContact O-N 2.57Å
49I96.8Very high87.4Confident0 Ų049 Ų490%025%0.246CC..EExtended strand (participates in β ladder)trans-118123.6167.1-57.3179.7000107.6I4 A5 I6 L7 I17 V21 L77 I79 F182I4-I49 HydrophobicContact CD1-CD1 3.67Å; I4-I49 HydrophobicContact CD1-CG1 4.14Å; A5-I49 PolarHBondContact O-N 3.12Å; I6-I49 CarbonylContact C-O 3.56Å; I6-I49 WeakPolarHBondContact CA-O 3.49Å; I6-I49 HydrophobicContact CG1-CB 4.36Å; L7-I49 PolarHBondContact N-O 3Å; I17-I49 HydrophobicContact CD1-CG2 4.46Å; I17-I49 HydrophobicContact CG2-CB 4.47Å; I17-I49 HydrophobicContact CG2-CD1 4.03Å; I17-I49 HydrophobicContact CG2-CG2 3.88Å; V21-I49 HydrophobicContact CG2-CD1 3.92Å; I49-L77 CarbonylContact C-O 3.55Å; I49-L77 VanDerWaalsContact CA-O 3.29Å; I49-L77 WeakPolarHBondContact CA-O 3.31Å; I49-L77 HydrophobicContact CG1-CB 4.36Å; I49-I79 HydrophobicContact CG2-CD1 3.87Å; I49-I79 HydrophobicContact CG2-CG1 4.42Å; I49-F182 HydrophobicContact CD1-CD1 4.37Å; I49-F182 HydrophobicContact CD1-CE1 4.18Å; I49-F182 HydrophobicContact CG1-CD1 4.38Å; I49-F182 HydrophobicContact CG1-CE1 3.76Å
50I95Very high85.6Confident0 Ų049.9 Ų49.90%026%0.264CS..EExtended strand (participates in β ladder)trans-98.1120.8175.3-54.5176.4000107.9L7 I33 L69 F70 V76 L77 I79L7-I50 HydrophobicContact CB-CG1 4.34Å; L7-I50 HydrophobicContact CD1-CG1 4.34Å; I33-I50 HydrophobicContact CD1-CG2 3.76Å; I50-L69 HydrophobicContact CD1-CD2 4.45Å; I50-F70 HydrophobicContact CD1-CE1 3.61Å; I50-F70 HydrophobicContact CD1-CZ 3.73Å; I50-V76 HydrophobicContact CD1-CG1 3.95Å; I50-V76 HydrophobicContact CG1-CG1 4.1Å; I50-L77 PolarHBondContact N-O 3.46Å; I50-I79 PolarHBondContact O-N 2.83Å
51S91.1Very high83.9Confident0 Ų054 Ų540%030%0.298CS..PPolyproline II helixtrans-75.4173.6-176.777.70000112.8L7 D8 A9 A11 I79 G82L7-S51 PolarHBondContact O-N 3.32Å; D8-S51 WeakPolarHBondContact CA-OG 3.48Å; D8-S51 PolarHBondContact OD1-OG 3.4Å; A9-S51 PolarHBondContact N-OG 3.3Å; A11-S51 WeakPolarHBondContact CB-OG 3.31Å; S51-I79 CarbonylContact C-O 3.59Å; S51-G82 PolarHBondContact O-N 3.13Å
52G85.5Confident82.4Confident1 Ų151 Ų511%0.0129%0.286CS..PPolyproline II helixtrans-67.5173.8169.100000113.3A9 A11 I79A9-G52 WeakPolarHBondContact CB-O 3.23Å; A11-G52 WeakPolarHBondContact CA-O 3.33Å; A11-G52 WeakPolarHBondContact CB-O 3.42Å; A11-G52 PolarHBondContact N-O 3.29Å; A11-G52 VanDerWaalsContact N-O 3.14Å; G52-I79 WeakPolarHBondContact CA-O 3.38Å; G52-I79 PolarHBondContact N-O 3.16Å
53S81.9Confident81Confident22 Ų2244.4 Ų44.415%0.15426%0.263CS..  trans-147.6150.5175.4-171.10000109.5A9 D55A9-S53 VanDerWaalsContact O-CB 3.28Å; A9-S53 WeakPolarHBondContact O-CB 3.32Å; A9-S53 PolarHBondContact O-OG 3.38Å; S53-D55 PolarHBondContact OG-N 3.37Å; S53-D55 VanDerWaalsContact OG-N 3.14Å
54P74Confident80.4Confident107 Ų10746.4 Ų46.470%0.69527%0.273SS*.SBendtrans-71-15.8164.631.4-37.4000112.7G10G10-P54 WeakPolarHBondContact O-CD 3.5Å
55D76.3Confident79.9Confident28 Ų2842 Ų4215%0.1525%0.249CC..SBendtrans-79.9152.7-176.6-62.9-25.4000112.1S53 Y81S53-D55 PolarHBondContact OG-N 3.37Å; S53-D55 VanDerWaalsContact OG-N 3.14Å; D55-Y81 WeakPolarHBondContact O-CD2 3.4Å
56S78.9Confident79.3Confident23 Ų2342.7 Ų42.716%0.16125%0.254CS..  trans-84.6139.5165.7172.10000110.2Y58 Q59 S62 D131S56-Y58 PolarHBondContact O-N 3.36Å; S56-Y58 PolarHBondContact OG-N 3.09Å; S56-Q59 PolarHBondContact O-N 2.7Å; S56-S62 WeakPolarHBondContact O-CB 3.49Å; S56-D131 WeakPolarHBondContact CA-OD2 3.3Å; S56-D131 WeakPolarHBondContact CB-OD2 3.26Å; S56-D131 PolarHBondContact OG-OD2 2.78Å
57V74.4Confident78.7Confident1 Ų142.2 Ų42.21%0.00626%0.259CS..THydrogen-bonded Turntrans-58.9-19178-69.20000113.5S62 Y81 Q84 K88 V94V57-S62 PolarHBondContact O-OG 2.89Å; V57-Y81 HydrophobicContact CB-CE2 4.19Å; V57-Y81 HydrophobicContact CG1-CD2 3.71Å; V57-Y81 HydrophobicContact CG1-CE2 3.34Å; V57-Q84 HydrophobicContact CG1-CB 3.68Å; V57-K88 HydrophobicContact CB-CD 4.06Å; V57-K88 HydrophobicContact CG2-CD 4.29Å; V57-K88 PolarHBondContact O-NZ 2.78Å; V57-V94 HydrophobicContact CG2-CB 3.85Å; V57-V94 HydrophobicContact CG2-CG1 3.77Å; V57-V94 HydrophobicContact CG2-CG2 4.17Å
58Y72.7Confident78.3Confident120 Ų12047.8 Ų47.847%0.47128%0.284SS..THydrogen-bonded Turntrans-97.2-4.6178-61.4-78.8000114.9S56 S60 V94S56-Y58 PolarHBondContact O-N 3.36Å; S56-Y58 PolarHBondContact OG-N 3.09Å; Y58-S60 PolarHBondContact O-N 2.8Å; Y58-V94 HydrophobicContact CE2-CB 3.77Å; Y58-V94 HydrophobicContact CE2-CG1 4.34Å; Y58-V94 WeakPolarHBondContact CE2-O 3.27Å; Y58-V94 VanDerWaalsContact CZ-O 3.27Å; Y58-V94 PolarHBondContact OH-N 2.83Å; Y58-V94 VanDerWaalsContact OH-N 3.1Å; Y58-V94 PolarHBondContact OH-O 2.84Å
59Q66.8Low78Confident103 Ų10347.9 Ų47.948%0.48128%0.284SS..SBendtrans-63.9136.1172.6-75.5175.415.300109.7S56 A61 S62S56-Q59 PolarHBondContact O-N 2.7Å; Q59-A61 PolarHBondContact O-N 2.9Å; Q59-A61 VanDerWaalsContact O-N 3.09Å; Q59-S62 VanDerWaalsContact O-CB 3.29Å; Q59-S62 WeakPolarHBondContact O-CB 3.35Å; Q59-S62 PolarHBondContact O-N 3.38Å; Q59-S62 PolarHBondContact O-OG 3.49Å
60S53.5Low77.8Confident138 Ų13848.1 Ų48.197%0.96529%0.285SS*.THydrogen-bonded Turntrans-63.4-15.3-176.442.10000114.3Y58Y58-S60 PolarHBondContact O-N 2.8Å
61A58.7Low77.6Confident87 Ų8753.3 Ų53.372%0.71931%0.313SS*.THydrogen-bonded Turntrans-110.915.3176.300000113.2Q59Q59-A61 PolarHBondContact O-N 2.9Å; Q59-A61 VanDerWaalsContact O-N 3.09Å
62S61.5Low77.5Confident27 Ų2754.7 Ų54.719%0.18932%0.324CS..  trans-65.1142.2-175.761.10000112.3S56 V57 Q59 T64S56-S62 WeakPolarHBondContact O-CB 3.49Å; V57-S62 PolarHBondContact O-OG 2.89Å; Q59-S62 VanDerWaalsContact O-CB 3.29Å; Q59-S62 WeakPolarHBondContact O-CB 3.35Å; Q59-S62 PolarHBondContact O-N 3.38Å; Q59-S62 PolarHBondContact O-OG 3.49Å; S62-T64 PolarHBondContact O-N 2.86Å
63C64.9Low77.6Confident50 Ų5059.8 Ų59.834%0.33835%0.351SS..  trans-69.1115.7178.3-610000110.1I33 Y81I33-C63 HydrophobicContact CG2-CB 3.65Å; C63-Y81 VanDerWaalsContact O-CE1 3.25Å; C63-Y81 WeakPolarHBondContact O-CE1 3.46Å; C63-Y81 PolarHBondContact O-OH 2.91Å
64T78.5Confident78.2Confident73 Ų7359.5 Ų59.545%0.44835%0.348SS..  trans-110.2153.4175.9-171.40000111.1S62S62-T64 PolarHBondContact O-N 2.86Å
65C82.5Confident79.4Confident4 Ų454.5 Ų54.53%0.02732%0.316CS..  trans-87.8168.8166.565.60000111.2I33 P67 F70 L85I33-C65 HydrophobicContact CD1-CB 4.33Å; I33-C65 HydrophobicContact CG1-CB 3.74Å; I33-C65 VanDerWaalsContact O-CA 3.3Å; I33-C65 WeakPolarHBondContact O-CA 3.21Å; I33-C65 WeakPolarHBondContact O-CB 2.78Å; C65-P67 VanDerWaalsContact O-CD 3.25Å; C65-P67 WeakPolarHBondContact O-CD 3.49Å; C65-F70 VanDerWaalsContact SG-CE2 3.6Å; C65-F70 WeakPolarHBondContact SG-CZ 3.34Å; C65-L85 HydrophobicContact CB-CD2 4.31Å; C65-L85 VanDerWaalsContact SG-CD2 3.55Å
66D82.9Confident80.4Confident31 Ų3153.2 Ų53.217%0.16631%0.309CS..  trans-60.6115.9166.7-176.7-11.5000109.3L37 K68 L69L37-D66 VanDerWaalsContact CB-OD2 3.32Å; L37-D66 WeakPolarHBondContact CB-OD2 3.49Å; L37-D66 PolarHBondContact N-OD2 3.31Å; D66-K68 PolarHBondContact O-N 3.05Å; D66-K68 VanDerWaalsContact O-N 3.1Å; D66-K68 VanDerWaalsContact OD1-CB 3.3Å; D66-K68 WeakPolarHBondContact OD1-CB 3.35Å; D66-K68 WeakPolarHBondContact OD1-CG 3.43Å; D66-K68 PolarHBondContact OD1-N 3.3Å; D66-L69 WeakPolarHBondContact O-CB 3.28Å; D66-L69 PolarHBondContact O-N 2.92Å
67P83.7Confident81.3Confident72 Ų7252.1 Ų52.147%0.46830%0.301SS..G310 helixtrans-58.1-27.2-178.8-24.935.1000113.5C65 L69 F70C65-P67 VanDerWaalsContact O-CD 3.25Å; C65-P67 WeakPolarHBondContact O-CD 3.49Å; P67-L69 PolarHBondContact O-N 2.91Å; P67-L69 VanDerWaalsContact O-N 3.14Å; P67-F70 PolarHBondContact O-N 3.37Å
68K88.3Confident82.3Confident117 Ų11752 Ų5251%0.50930%0.301SS..G310 helixtrans-61.6-21.1176.9-62.2174.9-176.1169.30112.5L37 E38 D66 F70 D71 A72L37-K68 HydrophobicContact CD2-CB 3.68Å; E38-K68 IonicContact OE1-NZ 3.56Å; D66-K68 PolarHBondContact O-N 3.05Å; D66-K68 VanDerWaalsContact O-N 3.1Å; D66-K68 VanDerWaalsContact OD1-CB 3.3Å; D66-K68 WeakPolarHBondContact OD1-CB 3.35Å; D66-K68 WeakPolarHBondContact OD1-CG 3.43Å; D66-K68 PolarHBondContact OD1-N 3.3Å; K68-F70 PolarHBondContact O-N 2.62Å; K68-D71 PolarHBondContact O-N 2.96Å; K68-A72 PolarHBondContact O-N 2.92Å
69L90.9Very high83.4Confident2 Ų246.3 Ų46.31%0.0128%0.279CS..G310 helixtrans-54.1-38177.8-177.7147.3000111.8L7 L40 F48 I50 D66 P67 D71 A72 V76L7-L69 HydrophobicContact CD1-CD1 3.28Å; L40-L69 HydrophobicContact CD1-CD1 3.96Å; F48-L69 HydrophobicContact CD2-CD1 3.87Å; F48-L69 HydrophobicContact CD2-CD2 3.94Å; F48-L69 HydrophobicContact CD2-CG 3.73Å; F48-L69 HydrophobicContact CE2-CD1 4.26Å; F48-L69 HydrophobicContact CE2-CG 4.06Å; F48-L69 HydrophobicContact CG-CD1 4.14Å; F48-L69 HydrophobicContact CG-CG 4.44Å; I50-L69 HydrophobicContact CD1-CD2 4.45Å; D66-L69 WeakPolarHBondContact O-CB 3.28Å; D66-L69 PolarHBondContact O-N 2.92Å; P67-L69 PolarHBondContact O-N 2.91Å; P67-L69 VanDerWaalsContact O-N 3.14Å; L69-D71 VanDerWaalsContact C-N 3.25Å; L69-D71 PolarHBondContact O-N 3.19Å; L69-A72 WeakPolarHBondContact O-CB 3.42Å; L69-A72 PolarHBondContact O-N 3.48Å; L69-V76 HydrophobicContact CD2-CB 4.48Å; L69-V76 HydrophobicContact CD2-CG1 4.05Å; L69-V76 HydrophobicContact CD2-CG2 3.57Å
70F91.9Very high84.6Confident4 Ų441.7 Ų41.72%0.01826%0.258CS..G310 helixtrans-77.5-9.5-178.7-53.6-55.8000114.1I50 C65 P67 K68 V76 L85 I86 V89 F90 L160I50-F70 HydrophobicContact CD1-CE1 3.61Å; I50-F70 HydrophobicContact CD1-CZ 3.73Å; C65-F70 VanDerWaalsContact SG-CE2 3.6Å; C65-F70 WeakPolarHBondContact SG-CZ 3.34Å; P67-F70 PolarHBondContact O-N 3.37Å; K68-F70 PolarHBondContact O-N 2.62Å; F70-V76 HydrophobicContact CD1-CG1 4.45Å; F70-V76 HydrophobicContact CD1-CG2 4.35Å; F70-V76 HydrophobicContact CE1-CG1 4.12Å; F70-L85 HydrophobicContact CZ-CG 4.47Å; F70-I86 HydrophobicContact CD1-CG1 4.14Å; F70-I86 HydrophobicContact CE1-CD1 4.24Å; F70-I86 HydrophobicContact CE1-CG1 3.44Å; F70-I86 VanDerWaalsContact CE1-CG1 3.44Å; F70-I86 HydrophobicContact CZ-CG1 3.79Å; F70-V89 HydrophobicContact CD2-CB 4.3Å; F70-V89 HydrophobicContact CD2-CG1 3.89Å; F70-V89 HydrophobicContact CD2-CG2 4.45Å; F70-V89 HydrophobicContact CE2-CB 4.2Å; F70-V89 HydrophobicContact CE2-CG1 4.25Å; F70-V89 HydrophobicContact CE2-CG2 3.97Å; F70-F90 HydrophobicContact CB-CE2 3.71Å; F70-F90 HydrophobicContact CB-CZ 3.95Å; F70-F90 HydrophobicContact CD2-CE2 4.38Å; F70-F90 HydrophobicContact CG-CE2 4.1Å; F70-L160 HydrophobicContact CB-CD1 4.03Å; F70-L160 HydrophobicContact CB-CD2 4.41Å; F70-L160 HydrophobicContact CD1-CD2 4.08Å
71D90.1Very high86.4Confident110 Ų11035.2 Ų35.259%0.58821%0.212SC*.G310 helixtrans-105.7-3.2175.7-66.7-41.8000112.7K68 L69 N73 K158K68-D71 PolarHBondContact O-N 2.96Å; L69-D71 VanDerWaalsContact C-N 3.25Å; L69-D71 PolarHBondContact O-N 3.19Å; D71-N73 PolarHBondContact O-N 3.43Å; D71-N73 VanDerWaalsContact O-N 3.12Å; D71-K158 IonicContact OD1-NZ 2.6Å; D71-K158 PolarHBondContact OD1-NZ 2.81Å
72A88.5Confident88Confident28 Ų2831.1 Ų31.123%0.23118%0.178CC..SBendtrans-71.1-3.3-177.900000114.7L37 M41 K68 L69 V74L37-A72 HydrophobicContact CD1-CB 3.9Å; L37-A72 HydrophobicContact CD2-CB 3.94Å; M41-A72 HydrophobicContact SD-CB 4.44Å; K68-A72 PolarHBondContact O-N 2.92Å; L69-A72 WeakPolarHBondContact O-CB 3.42Å; L69-A72 PolarHBondContact O-N 3.48Å; A72-V74 HydrophobicContact CB-CG2 4.27Å; A72-V74 PolarHBondContact O-N 2.65Å
73N89Confident89.6Confident108 Ų10829.8 Ų29.858%0.57817%0.169SC*.  trans54.228.7-173.8-163.426.8000114D71D71-N73 PolarHBondContact O-N 3.43Å; D71-N73 VanDerWaalsContact O-N 3.12Å
74V94.9Very high91Very high16 Ų1627.7 Ų27.710%0.09715%0.154CC..  trans-102.6133.9171.4178.60000107.5M41 F48 A72 V76M41-V74 HydrophobicContact CE-CG2 4.23Å; M41-V74 HydrophobicContact SD-CG2 3.92Å; F48-V74 HydrophobicContact CD2-CB 4.09Å; F48-V74 HydrophobicContact CD2-CG1 3.78Å; F48-V74 HydrophobicContact CE2-CB 3.68Å; F48-V74 HydrophobicContact CE2-CG1 3.57Å; F48-V74 HydrophobicContact CE2-CG2 4.17Å; F48-V74 HydrophobicContact CG-CG1 4.43Å; F48-V74 HydrophobicContact CZ-CB 4.43Å; F48-V74 HydrophobicContact CZ-CG1 4.04Å; A72-V74 HydrophobicContact CB-CG2 4.27Å; A72-V74 PolarHBondContact O-N 2.65Å; V74-V76 WeakPolarHBondContact O-CG2 3.25Å; V74-V76 PolarHBondContact O-N 2.84Å
75P97.5Very high91.6Very high3 Ų324.5 Ų24.52%0.01913%0.134CC..  trans-54136.1178-2936.2000113.2K46 A47 F48 R159 F182 I186 C187K46-P75 WeakPolarHBondContact O-CD 3.29Å; A47-P75 WeakPolarHBondContact CA-O 3.38Å; A47-P75 HydrophobicContact CB-CB 4.3Å; F48-P75 PolarHBondContact N-O 3.09Å; P75-R159 WeakPolarHBondContact CA-O 3.45Å; P75-R159 HydrophobicContact CG-CB 4.41Å; P75-F182 HydrophobicContact CB-CE2 3.98Å; P75-F182 HydrophobicContact CB-CZ 4.09Å; P75-I186 HydrophobicContact CB-CG2 4.17Å; P75-I186 HydrophobicContact CG-CG2 4.44Å; P75-C187 WeakPolarHBondContact CB-SG 3.4Å; P75-C187 HydrophobicContact CG-CB 4.47Å
76V97.8Very high92.1Very high0 Ų024.3 Ų24.30%013%0.133CC..EExtended strand (participates in β ladder)trans-127.8132.7176.6-168.60000110.3F48 I50 L69 F70 V74 I86 R159 L160 Y161F48-V76 HydrophobicContact CB-CG1 4.3Å; F48-V76 HydrophobicContact CB-CG2 4.32Å; F48-V76 HydrophobicContact CD2-CG2 4.2Å; F48-V76 CarbonylContact O-C 3.48Å; F48-V76 VanDerWaalsContact O-CA 3.29Å; F48-V76 WeakPolarHBondContact O-CA 3.4Å; I50-V76 HydrophobicContact CD1-CG1 3.95Å; I50-V76 HydrophobicContact CG1-CG1 4.1Å; L69-V76 HydrophobicContact CD2-CB 4.48Å; L69-V76 HydrophobicContact CD2-CG1 4.05Å; L69-V76 HydrophobicContact CD2-CG2 3.57Å; F70-V76 HydrophobicContact CD1-CG1 4.45Å; F70-V76 HydrophobicContact CD1-CG2 4.35Å; F70-V76 HydrophobicContact CE1-CG1 4.12Å; V74-V76 WeakPolarHBondContact O-CG2 3.25Å; V74-V76 PolarHBondContact O-N 2.84Å; V76-I86 HydrophobicContact CG1-CD1 4.23Å; V76-R159 PolarHBondContact N-O 2.59Å; V76-R159 VanDerWaalsContact N-O 3.11Å; V76-L160 HydrophobicContact CB-CD2 3.65Å; V76-L160 HydrophobicContact CG2-CD2 3.5Å; V76-Y161 PolarHBondContact O-N 2.91Å
77L98.1Very high92.6Very high0 Ų022.8 Ų22.80%013%0.125CC..EExtended strand (participates in β ladder)trans-114114.6166.8178.663.6000109.8F48 I49 I50 I79 L115 Y161 L179 F182F48-L77 PolarHBondContact O-N 2.57Å; I49-L77 CarbonylContact C-O 3.55Å; I49-L77 VanDerWaalsContact CA-O 3.29Å; I49-L77 WeakPolarHBondContact CA-O 3.31Å; I49-L77 HydrophobicContact CG1-CB 4.36Å; I50-L77 PolarHBondContact N-O 3.46Å; L77-I79 HydrophobicContact CD2-CD1 4.5Å; L77-I79 HydrophobicContact CD2-CG1 4.48Å; L77-I79 HydrophobicContact CG-CG1 4.3Å; L77-L115 HydrophobicContact CD1-CD1 4.25Å; L77-L115 HydrophobicContact CD1-CD2 4.28Å; L77-Y161 CarbonylContact C-O 3.57Å; L77-Y161 VanDerWaalsContact CA-O 3.32Å; L77-Y161 WeakPolarHBondContact CA-O 3.3Å; L77-L179 HydrophobicContact CD2-CD2 3.94Å; L77-F182 HydrophobicContact CB-CD1 4.03Å; L77-F182 HydrophobicContact CB-CD2 3.87Å; L77-F182 HydrophobicContact CB-CE1 3.79Å; L77-F182 HydrophobicContact CB-CE2 3.63Å; L77-F182 HydrophobicContact CB-CG 4.07Å; L77-F182 HydrophobicContact CB-CZ 3.58Å; L77-F182 HydrophobicContact CD2-CB 4.3Å; L77-F182 HydrophobicContact CD2-CD1 4.07Å; L77-F182 HydrophobicContact CD2-CG 4.04Å
78G96.4Very high92.9Very high0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-92.2127.4171.100000112G82 Y161 G162 V163G78-G82 VanDerWaalsContact CA-C 3.45Å; G78-Y161 PolarHBondContact N-O 3.15Å; G78-G162 CarbonylContact O-C 3.59Å; G78-G162 WeakPolarHBondContact O-CA 3.46Å; G78-V163 PolarHBondContact O-N 2.89Å
79I94.9Very high93Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-110.3128.1177.6-63.2172.6000109.5I17 I49 I50 S51 G52 L77 Y81 G82 V163 P167I17-I79 HydrophobicContact CD1-CD1 3.87Å; I17-I79 HydrophobicContact CG1-CD1 4.16Å; I49-I79 HydrophobicContact CG2-CD1 3.87Å; I49-I79 HydrophobicContact CG2-CG1 4.42Å; I50-I79 PolarHBondContact O-N 2.83Å; S51-I79 CarbonylContact C-O 3.59Å; G52-I79 WeakPolarHBondContact CA-O 3.38Å; G52-I79 PolarHBondContact N-O 3.16Å; L77-I79 HydrophobicContact CD2-CD1 4.5Å; L77-I79 HydrophobicContact CD2-CG1 4.48Å; L77-I79 HydrophobicContact CG-CG1 4.3Å; I79-Y81 PolarHBondContact O-N 2.95Å; I79-G82 PolarHBondContact O-N 3Å; I79-V163 CarbonylContact C-O 3.57Å; I79-V163 HydrophobicContact CG1-CG2 4.18Å; I79-P167 HydrophobicContact CD1-CG 3.96Å; I79-P167 HydrophobicContact CG1-CG 4.22Å
80C92.6Very high93.1Very high6 Ų622.8 Ų22.84%0.04112%0.123CC..THydrogen-bonded Turntrans51.2-105.7-178.7-173.30000111.1G82 M83 Q84 V163 H166C80-G82 VanDerWaalsContact C-N 3.26Å; C80-G82 PolarHBondContact O-N 2.75Å; C80-M83 WeakPolarHBondContact O-CB 3.46Å; C80-M83 PolarHBondContact O-N 2.8Å; C80-Q84 WeakPolarHBondContact O-CG 3.22Å; C80-Q84 PolarHBondContact O-N 3.07Å; C80-Q84 VanDerWaalsContact O-N 3.16Å; C80-V163 PolarHBondContact N-O 3.39Å; C80-H166 WeakPolarHBondContact CB-NE2 3.06Å
81Y90.8Very high92.9Very high2 Ų225.6 Ų25.61%0.00815%0.153CC..Hα-helixtrans-53-39.3172.7-176.8-96.7000113.3A9 I33 D55 V57 C63 I79 M83 Q84 L85A9-Y81 HydrophobicContact CB-CD1 3.79Å; A9-Y81 HydrophobicContact CB-CE1 4.06Å; I33-Y81 HydrophobicContact CD1-CE1 4.3Å; D55-Y81 WeakPolarHBondContact O-CD2 3.4Å; V57-Y81 HydrophobicContact CB-CE2 4.19Å; V57-Y81 HydrophobicContact CG1-CD2 3.71Å; V57-Y81 HydrophobicContact CG1-CE2 3.34Å; C63-Y81 VanDerWaalsContact O-CE1 3.25Å; C63-Y81 WeakPolarHBondContact O-CE1 3.46Å; C63-Y81 PolarHBondContact O-OH 2.91Å; I79-Y81 PolarHBondContact O-N 2.95Å; Y81-M83 VanDerWaalsContact C-N 3.31Å; Y81-M83 PolarHBondContact O-N 3.42Å; Y81-Q84 WeakPolarHBondContact O-CB 3.39Å; Y81-Q84 PolarHBondContact O-N 3.03Å; Y81-Q84 VanDerWaalsContact O-N 3.13Å; Y81-L85 HydrophobicContact CE1-CD2 4.4Å; Y81-L85 WeakPolarHBondContact O-CB 3.47Å; Y81-L85 PolarHBondContact O-N 3.14Å
82G92.9Very high92.9Very high0 Ų020.7 Ų20.70%013%0.128CC..Hα-helixtrans-60.6-38.2176.400000113.1S51 G78 I79 C80 I86S51-G82 PolarHBondContact O-N 3.13Å; G78-G82 VanDerWaalsContact CA-C 3.45Å; I79-G82 PolarHBondContact O-N 3Å; C80-G82 VanDerWaalsContact C-N 3.26Å; C80-G82 PolarHBondContact O-N 2.75Å; G82-I86 VanDerWaalsContact O-CG1 3.32Å; G82-I86 WeakPolarHBondContact O-CG1 3.42Å; G82-I86 PolarHBondContact O-N 2.87Å; G82-I86 VanDerWaalsContact O-N 3.09Å
83M95.1Very high93Very high0 Ų024.3 Ų24.30%014%0.14CC..Hα-helixtrans-65.8-43.9174-176.4-174.594.600110.8C80 Y81 L85 I86 N87 C133 I150 I153 G162 Q164C80-M83 WeakPolarHBondContact O-CB 3.46Å; C80-M83 PolarHBondContact O-N 2.8Å; Y81-M83 VanDerWaalsContact C-N 3.31Å; Y81-M83 PolarHBondContact O-N 3.42Å; M83-L85 VanDerWaalsContact C-N 3.31Å; M83-L85 PolarHBondContact O-N 3.33Å; M83-I86 PolarHBondContact O-N 2.93Å; M83-N87 WeakPolarHBondContact O-CB 3.15Å; M83-N87 PolarHBondContact O-N 2.84Å; M83-C133 HydrophobicContact CE-CB 3.89Å; M83-C133 WeakPolarHBondContact CE-SG 3.29Å; M83-I150 HydrophobicContact CE-CG2 4.43Å; M83-I153 HydrophobicContact CG-CD1 3.8Å; M83-I153 HydrophobicContact CG-CG1 3.78Å; M83-I153 HydrophobicContact SD-CG1 4.22Å; M83-G162 VanDerWaalsContact SD-C 3.6Å; M83-Q164 HydrophobicContact CE-CB 3.6Å; M83-Q164 HydrophobicContact CE-CG 4.28Å; M83-Q164 HydrophobicContact SD-CB 4Å; M83-Q164 PolarHBondContact SD-N 3.2Å
84Q92.9Very high92.9Very high5 Ų519.3 Ų19.32%0.02311%0.113CC..Hα-helixtrans-62.7-39.7179.3-65.3167.20.100111.4V57 C80 Y81 N87 K88 V94 D131 Q164V57-Q84 HydrophobicContact CG1-CB 3.68Å; C80-Q84 WeakPolarHBondContact O-CG 3.22Å; C80-Q84 PolarHBondContact O-N 3.07Å; C80-Q84 VanDerWaalsContact O-N 3.16Å; Y81-Q84 WeakPolarHBondContact O-CB 3.39Å; Y81-Q84 PolarHBondContact O-N 3.03Å; Y81-Q84 VanDerWaalsContact O-N 3.13Å; Q84-N87 PolarHBondContact O-N 2.93Å; Q84-K88 VanDerWaalsContact O-CB 3.3Å; Q84-K88 WeakPolarHBondContact O-CB 3.25Å; Q84-K88 PolarHBondContact O-N 2.89Å; Q84-V94 HydrophobicContact CB-CG1 4.34Å; Q84-V94 HydrophobicContact CB-CG2 4Å; Q84-V94 HydrophobicContact CG-CG1 4.13Å; Q84-V94 HydrophobicContact CG-CG2 4.34Å; Q84-D131 PolarHBondContact NE2-O 2.83Å; Q84-Q164 VanDerWaalsContact NE2-NE2 3.1Å; Q84-Q164 VanDerWaalsContact NE2-OE1 3.13Å
85L91.4Very high92.5Very high6 Ų623.6 Ų23.63%0.03113%0.134CC..Hα-helixtrans-64.4-48.2176.3-176.361.3000111.5I33 C65 F70 Y81 M83 N87 K88 V89I33-L85 HydrophobicContact CD1-CD2 3.99Å; C65-L85 HydrophobicContact CB-CD2 4.31Å; C65-L85 VanDerWaalsContact SG-CD2 3.55Å; F70-L85 HydrophobicContact CZ-CG 4.47Å; Y81-L85 HydrophobicContact CE1-CD2 4.4Å; Y81-L85 WeakPolarHBondContact O-CB 3.47Å; Y81-L85 PolarHBondContact O-N 3.14Å; M83-L85 VanDerWaalsContact C-N 3.31Å; M83-L85 PolarHBondContact O-N 3.33Å; L85-N87 VanDerWaalsContact C-N 3.31Å; L85-N87 PolarHBondContact O-N 3.09Å; L85-K88 PolarHBondContact O-N 2.96Å; L85-V89 HydrophobicContact CD1-CG2 4.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.29Å; L85-V89 PolarHBondContact O-N 2.88Å
86I93.5Very high91.7Very high0 Ų031.1 Ų31.10%017%0.169CC..Hα-helixtrans-55.2-50.4173.2-69166.5000109.5F70 V76 G82 M83 K88 V89 F90 F140 I153 Y161F70-I86 HydrophobicContact CD1-CG1 4.14Å; F70-I86 HydrophobicContact CE1-CD1 4.24Å; F70-I86 HydrophobicContact CE1-CG1 3.44Å; F70-I86 VanDerWaalsContact CE1-CG1 3.44Å; F70-I86 HydrophobicContact CZ-CG1 3.79Å; V76-I86 HydrophobicContact CG1-CD1 4.23Å; G82-I86 VanDerWaalsContact O-CG1 3.32Å; G82-I86 WeakPolarHBondContact O-CG1 3.42Å; G82-I86 PolarHBondContact O-N 2.87Å; G82-I86 VanDerWaalsContact O-N 3.09Å; M83-I86 PolarHBondContact O-N 2.93Å; I86-K88 PolarHBondContact O-N 3.05Å; I86-V89 PolarHBondContact O-N 2.89Å; I86-F90 HydrophobicContact CG2-CD2 4.45Å; I86-F90 WeakPolarHBondContact O-CD2 3.31Å; I86-F90 PolarHBondContact O-N 3Å; I86-F140 HydrophobicContact CG2-CE1 3.62Å; I86-F140 HydrophobicContact CG2-CE2 4.48Å; I86-F140 HydrophobicContact CG2-CZ 3.51Å; I86-I153 HydrophobicContact CG2-CD1 4.26Å; I86-Y161 WeakPolarHBondContact CD1-O 3.15Å
87N93.8Very high90.3Very high0 Ų032.4 Ų32.40%018%0.182CC..Hα-helixtrans-59.7-45.7-178.5-163.653.5000111.8M83 Q84 L85 F90 G91 G92 T135 A136 A137 I153M83-N87 WeakPolarHBondContact O-CB 3.15Å; M83-N87 PolarHBondContact O-N 2.84Å; Q84-N87 PolarHBondContact O-N 2.93Å; L85-N87 VanDerWaalsContact C-N 3.31Å; L85-N87 PolarHBondContact O-N 3.09Å; N87-F90 PolarHBondContact O-N 2.98Å; N87-G91 PolarHBondContact O-N 2.86Å; N87-G92 WeakPolarHBondContact O-CA 3.29Å; N87-G92 PolarHBondContact O-N 3.41Å; N87-T135 PolarHBondContact ND2-O 3.14Å; N87-T135 PolarHBondContact OD1-O 2.9Å; N87-A136 WeakPolarHBondContact OD1-CA 3.45Å; N87-A137 WeakPolarHBondContact O-CB 3.43Å; N87-A137 WeakPolarHBondContact OD1-CB 3.46Å; N87-A137 PolarHBondContact OD1-N 3.27Å; N87-I153 HydrophobicContact CB-CD1 4.01Å
88K90.7Very high88.7Confident79 Ų7940.8 Ų40.834%0.34323%0.227SC..Hα-helixtrans-63.4-45.5179.6-178.6-177.7176.8-166.40112.4V57 Q84 L85 I86 F90 G91V57-K88 HydrophobicContact CB-CD 4.06Å; V57-K88 HydrophobicContact CG2-CD 4.29Å; V57-K88 PolarHBondContact O-NZ 2.78Å; Q84-K88 VanDerWaalsContact O-CB 3.3Å; Q84-K88 WeakPolarHBondContact O-CB 3.25Å; Q84-K88 PolarHBondContact O-N 2.89Å; L85-K88 PolarHBondContact O-N 2.96Å; I86-K88 PolarHBondContact O-N 3.05Å; K88-F90 PolarHBondContact O-N 3.21Å; K88-G91 PolarHBondContact O-N 3.24Å
89V89.8Confident87.1Confident65 Ų6545.8 Ų45.839%0.39426%0.258SS..Hα-helixtrans-61.1-33.1-178.5169.40000111.6F70 L85 I86 G91F70-V89 HydrophobicContact CD2-CB 4.3Å; F70-V89 HydrophobicContact CD2-CG1 3.89Å; F70-V89 HydrophobicContact CD2-CG2 4.45Å; F70-V89 HydrophobicContact CE2-CB 4.2Å; F70-V89 HydrophobicContact CE2-CG1 4.25Å; F70-V89 HydrophobicContact CE2-CG2 3.97Å; L85-V89 HydrophobicContact CD1-CG2 4.26Å; L85-V89 WeakPolarHBondContact O-CG2 3.29Å; L85-V89 PolarHBondContact O-N 2.88Å; I86-V89 PolarHBondContact O-N 2.89Å; V89-G91 VanDerWaalsContact C-N 3.35Å
90F91.7Very high85.9Confident46 Ų4654.1 Ų54.120%0.20229%0.289CS..THydrogen-bonded Turntrans-92.312.7176.8-73.2-92.6000114.1F70 I86 N87 K88 A137 F140 K158 L160F70-F90 HydrophobicContact CB-CE2 3.71Å; F70-F90 HydrophobicContact CB-CZ 3.95Å; F70-F90 HydrophobicContact CD2-CE2 4.38Å; F70-F90 HydrophobicContact CG-CE2 4.1Å; I86-F90 HydrophobicContact CG2-CD2 4.45Å; I86-F90 WeakPolarHBondContact O-CD2 3.31Å; I86-F90 PolarHBondContact O-N 3Å; N87-F90 PolarHBondContact O-N 2.98Å; K88-F90 PolarHBondContact O-N 3.21Å; F90-A137 HydrophobicContact CB-CB 3.46Å; F90-A137 VanDerWaalsContact CB-CB 3.46Å; F90-A137 WeakPolarHBondContact O-CB 3.44Å; F90-F140 HydrophobicContact CB-CD2 4.43Å; F90-F140 HydrophobicContact CB-CE2 3.86Å; F90-F140 AromaticContact CD1-CE2 3.96Å; F90-F140 HydrophobicContact CD1-CE2 3.96Å; F90-F140 AromaticContact CD2-CE2 3.83Å; F90-F140 HydrophobicContact CD2-CE2 3.83Å; F90-F140 HydrophobicContact CD2-CZ 4.02Å; F90-F140 HydrophobicContact CE1-CE2 4.45Å; F90-F140 HydrophobicContact CE2-CE2 4.35Å; F90-F140 HydrophobicContact CE2-CZ 4.25Å; F90-F140 AromaticContact CG-CE2 3.61Å; F90-F140 HydrophobicContact CG-CE2 3.61Å; F90-F140 HydrophobicContact CG-CZ 4.28Å; F90-K158 HydrophobicContact CE1-CD 3.86Å; F90-K158 HydrophobicContact CZ-CD 3.87Å; F90-L160 HydrophobicContact CE2-CD1 3.61Å; F90-L160 HydrophobicContact CZ-CD1 3.58Å
91G89.2Confident84.7Confident63 Ų6355.3 Ų55.365%0.64929%0.294SS*.THydrogen-bonded Turntrans84.612.3172.400000115.9N87 K88 V89N87-G91 PolarHBondContact O-N 2.86Å; K88-G91 PolarHBondContact O-N 3.24Å; V89-G91 VanDerWaalsContact C-N 3.35Å
92G90Very high83.9Confident7 Ų760.5 Ų60.57%0.07232%0.322CS..  trans-72.1158.916800000112N87N87-G92 WeakPolarHBondContact O-CA 3.29Å; N87-G92 PolarHBondContact O-N 3.41Å
93Q89.4Confident83.1Confident105 Ų10561.5 Ų61.549%0.49133%0.332SS..EExtended strand (participates in β ladder)trans-100.2128.8179.9-64.8179.7-10.300111.5V134 T135Q93-V134 PolarHBondContact O-N 3Å; Q93-T135 WeakPolarHBondContact CB-OG1 3.26Å; Q93-T135 PolarHBondContact N-O 2.75Å; Q93-T135 PolarHBondContact N-OG1 2.95Å; Q93-T135 PolarHBondContact O-N 3.37Å
94V88.5Confident82.5Confident2 Ų265.9 Ų65.91%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-106.5145.2166.3-1760000107.8V57 Y58 Q84 D131 H132V57-V94 HydrophobicContact CG2-CB 3.85Å; V57-V94 HydrophobicContact CG2-CG1 3.77Å; V57-V94 HydrophobicContact CG2-CG2 4.17Å; Y58-V94 HydrophobicContact CE2-CB 3.77Å; Y58-V94 HydrophobicContact CE2-CG1 4.34Å; Y58-V94 WeakPolarHBondContact CE2-O 3.27Å; Y58-V94 VanDerWaalsContact CZ-O 3.27Å; Y58-V94 PolarHBondContact OH-N 2.83Å; Y58-V94 VanDerWaalsContact OH-N 3.1Å; Y58-V94 PolarHBondContact OH-O 2.84Å; Q84-V94 HydrophobicContact CB-CG1 4.34Å; Q84-V94 HydrophobicContact CB-CG2 4Å; Q84-V94 HydrophobicContact CG-CG1 4.13Å; Q84-V94 HydrophobicContact CG-CG2 4.34Å; V94-D131 HydrophobicContact CG1-CB 3.9Å; V94-H132 CarbonylContact C-O 3.55Å; V94-H132 WeakPolarHBondContact CA-O 3.02Å
95M85.4Confident82.2Confident107 Ų10768.8 Ų68.853%0.52737%0.367SS..EExtended strand (participates in β ladder)trans-143.3149.9174.7-66.7-175.665.900110.2G97 D131 H132 V134M95-G97 PolarHBondContact O-N 3.3Å; M95-D131 CarbonylContact O-C 3.53Å; M95-D131 WeakPolarHBondContact O-CA 3.33Å; M95-H132 PolarHBondContact N-O 2.74Å; M95-H132 PolarHBondContact O-N 2.84Å; M95-V134 HydrophobicContact CB-CG2 3.81Å; M95-V134 HydrophobicContact CG-CG2 3.77Å; M95-V134 HydrophobicContact SD-CG2 3.91Å
96E80Confident82.3Confident161 Ų16173.3 Ų73.375%0.75239%0.387SS*.EExtended strand (participates in β ladder)trans-63.7129.8166.2-170.7174.9-171.300108.9D131E96-D131 WeakPolarHBondContact CA-OD1 3.46Å
97G68.8Low82.4Confident27 Ų2773.3 Ų73.328%0.27839%0.387SS..EExtended strand (participates in β ladder)trans-83156.2178.400000112.6M95 T99 G130M95-G97 PolarHBondContact O-N 3.3Å; G97-T99 PolarHBondContact O-N 3.05Å; G97-T99 VanDerWaalsContact O-N 3.12Å; G97-G130 PolarHBondContact N-O 3.06Å
98D64.7Low82.5Confident175 Ų17577 Ų7794%0.93641%0.406SS*.EExtended strand (participates in β ladder)trans-58-27.5177-64.8-36.6000113
99T63Low82.8Confident106 Ų10673.7 Ų73.765%0.6539%0.393SS*.EExtended strand (participates in β ladder)trans-140.3133.4176.850.10000110.8G97 Q101G97-T99 PolarHBondContact O-N 3.05Å; G97-T99 VanDerWaalsContact O-N 3.12Å; T99-Q101 PolarHBondContact O-N 3.42Å
100R69.3Low83.1Confident174 Ų17473.4 Ų73.466%0.65739%0.39SS*.EExtended strand (participates in β ladder)trans-61.8128.7170.5-172.8178.9177.8147.8-1109.7H129R100-H129 VanDerWaalsContact CG-O 3.26Å; R100-H129 WeakPolarHBondContact CG-O 3.46Å
101Q67.8Low83.2Confident32 Ų3273.5 Ų73.515%0.1539%0.394CS..EExtended strand (participates in β ladder)trans-89.9113.8171.7-70.5-171.1-29.800109.4T99 F105 F127 T128 H129 H132T99-Q101 PolarHBondContact O-N 3.42Å; Q101-F105 HydrophobicContact CB-CE2 4.05Å; Q101-F105 HydrophobicContact CB-CZ 4.02Å; Q101-F105 HydrophobicContact CG-CZ 4.1Å; Q101-F127 HydrophobicContact CB-CB 4.15Å; Q101-F127 CarbonylContact O-C 3.56Å; Q101-T128 VanDerWaalsContact O-CA 3.29Å; Q101-T128 WeakPolarHBondContact O-CA 3.48Å; Q101-H129 PolarHBondContact N-O 3.12Å; Q101-H129 PolarHBondContact O-N 2.86Å; Q101-H132 PolarHBondContact OE1-CE1 3.01Å
102D73.9Confident83.5Confident111 Ų11176 Ų7659%0.59440%0.397SS*.EExtended strand (participates in β ladder)trans-132.2106.5173.7-167.7-10.9000108.8F127D102-F127 VanDerWaalsContact CA-O 3.28Å; D102-F127 WeakPolarHBondContact CA-O 3.49Å
103G76.7Confident83.8Confident21 Ų2176 Ų7622%0.21640%0.396CS..EExtended strand (participates in β ladder)trans148.3-174.8-179.400000114.6F105 F127G103-F105 WeakPolarHBondContact O-CD2 3.38Å; G103-F105 WeakPolarHBondContact O-CE2 3.5Å; G103-F127 PolarHBondContact N-O 2.78Å; G103-F127 PolarHBondContact O-N 2.8Å
104I81.9Confident84.1Confident92 Ų9273 Ų7347%0.47239%0.385SS..EExtended strand (participates in β ladder)trans-87.1123.7178.7-57.5170.1000109H124 V125 L171I104-H124 HydrophobicContact CG2-CB 3.88Å; I104-V125 CarbonylContact C-O 3.49Å; I104-V125 WeakPolarHBondContact CA-O 3.25Å; I104-L171 HydrophobicContact CD1-CB 4.49Å; I104-L171 HydrophobicContact CD1-CD2 4.09Å; I104-L171 HydrophobicContact CG1-CB 4.36Å
105F87.6Confident84.5Confident65 Ų6573 Ų7329%0.28539%0.385SS..EExtended strand (participates in β ladder)trans-124.3159.4175.9-59.6-102.6000110.6Q101 G103 H124 V125 F127Q101-F105 HydrophobicContact CB-CE2 4.05Å; Q101-F105 HydrophobicContact CB-CZ 4.02Å; Q101-F105 HydrophobicContact CG-CZ 4.1Å; G103-F105 WeakPolarHBondContact O-CD2 3.38Å; G103-F105 WeakPolarHBondContact O-CE2 3.5Å; F105-H124 WeakPolarHBondContact O-CA 3.49Å; F105-V125 PolarHBondContact N-O 2.88Å; F105-V125 PolarHBondContact O-N 3.45Å; F105-F127 HydrophobicContact CB-CD2 3.66Å; F105-F127 HydrophobicContact CB-CE2 3.83Å; F105-F127 HydrophobicContact CD2-CB 3.91Å; F105-F127 AromaticContact CD2-CD2 3.57Å; F105-F127 HydrophobicContact CD2-CD2 3.57Å; F105-F127 HydrophobicContact CD2-CG 4.19Å; F105-F127 HydrophobicContact CE2-CB 4.11Å; F105-F127 AromaticContact CG-CD2 3.87Å; F105-F127 HydrophobicContact CG-CD2 3.87Å; F105-F127 HydrophobicContact CG-CE2 4.44Å
106K92.7Very high85.1Confident102 Ų10267.9 Ų67.944%0.44336%0.36SS..EExtended strand (participates in β ladder)trans-87.3136.2173.8-168.4174.4179.2-178.70109.5Q122 E123 S146K106-Q122 VanDerWaalsContact CE-CB 3.5Å; K106-Q122 VanDerWaalsContact NZ-CD 3.3Å; K106-E123 WeakPolarHBondContact CA-O 3.29Å; K106-S146 PolarHBondContact O-OG 3.44Å
107I95.4Very high85.8Confident0 Ų065 Ų650%035%0.346CS..EExtended strand (participates in β ladder)trans-122.1146.6173.658.3167.1000110.7C109 Q122 E123 V125 F127 K145 A151 F165I107-C109 WeakPolarHBondContact CD1-SG 3.47Å; I107-Q122 VanDerWaalsContact O-CA 3.3Å; I107-Q122 WeakPolarHBondContact O-CA 3.17Å; I107-E123 HydrophobicContact CG1-CB 4.2Å; I107-E123 PolarHBondContact N-O 3.48Å; I107-E123 PolarHBondContact O-N 3.34Å; I107-E123 VanDerWaalsContact O-N 3.09Å; I107-V125 HydrophobicContact CB-CG2 4.38Å; I107-V125 HydrophobicContact CD1-CB 4.43Å; I107-V125 HydrophobicContact CD1-CG1 3.61Å; I107-V125 HydrophobicContact CD1-CG2 3.93Å; I107-V125 HydrophobicContact CG1-CG1 4.04Å; I107-V125 HydrophobicContact CG1-CG2 3.97Å; I107-V125 HydrophobicContact CG2-CG2 3.54Å; I107-F127 HydrophobicContact CG2-CE2 3.72Å; I107-F127 HydrophobicContact CG2-CZ 3.76Å; I107-K145 CarbonylContact C-O 3.58Å; I107-K145 VanDerWaalsContact CA-O 3.26Å; I107-K145 WeakPolarHBondContact CA-O 3.46Å; I107-A151 HydrophobicContact CG2-CB 3.97Å; I107-F165 HydrophobicContact CD1-CD1 4.06Å; I107-F165 HydrophobicContact CD1-CE1 3.5Å; I107-F165 VanDerWaalsContact CD1-CE1 3.5Å; I107-F165 HydrophobicContact CD1-CZ 3.77Å
108D96.6Very high87Confident76 Ų7666.3 Ų66.341%0.40636%0.36SS..EExtended strand (participates in β ladder)trans-93.1120.1166.6-61.6-60.4000108.5K121 Q122 A144 K145D108-K121 CarbonylContact C-O 3.56Å; D108-K121 VanDerWaalsContact CA-O 3.28Å; D108-K121 WeakPolarHBondContact CA-O 3.32Å; D108-Q122 VanDerWaalsContact OD1-CG 3.31Å; D108-Q122 WeakPolarHBondContact OD1-CG 3.34Å; D108-Q122 PolarHBondContact OD1-NE2 3.45Å; D108-A144 CarbonylContact O-C 3.56Å; D108-A144 VanDerWaalsContact O-CA 3.25Å; D108-A144 WeakPolarHBondContact O-CA 3.27Å; D108-K145 PolarHBondContact N-O 2.92Å; D108-K145 PolarHBondContact O-N 3.4Å
109C96Very high88.5Confident10 Ų1059 Ų597%0.06832%0.321CS..EExtended strand (participates in β ladder)trans-103.3134.9-177.7-58.30000111.2I107 T111 F116 K121I107-C109 WeakPolarHBondContact CD1-SG 3.47Å; C109-T111 PolarHBondContact O-N 3.08Å; C109-F116 HydrophobicContact CB-CB 4.31Å; C109-F116 HydrophobicContact CB-CD2 4.38Å; C109-F116 HydrophobicContact CB-CG 4.2Å; C109-K121 PolarHBondContact N-O 2.87Å
110D96.4Very high89.9Confident60 Ų6057.4 Ų57.432%0.32131%0.314SS..  trans-78.996.6165.8-176-3.6000109.6T112 S113 V143D110-T112 VanDerWaalsContact CG-OG1 3.28Å; D110-T112 PolarHBondContact O-N 3.28Å; D110-T112 VanDerWaalsContact O-N 3.11Å; D110-T112 WeakPolarHBondContact OD1-CB 3.48Å; D110-T112 PolarHBondContact OD1-N 3.19Å; D110-T112 PolarHBondContact OD1-OG1 3.01Å; D110-T112 PolarHBondContact OD2-OG1 2.91Å; D110-S113 VanDerWaalsContact O-CB 3.27Å; D110-S113 WeakPolarHBondContact O-CB 3.46Å; D110-S113 PolarHBondContact O-N 2.91Å; D110-V143 HydrophobicContact CB-CB 4.32Å; D110-V143 WeakPolarHBondContact CB-O 3.12Å; D110-V143 PolarHBondContact N-O 2.96Å
111T95Very high91.1Very high48 Ų4856.6 Ų56.629%0.29432%0.315SS..THydrogen-bonded Turntrans-68.8-4.5-178.961.60000113.7C109 L119 K121C109-T111 PolarHBondContact O-N 3.08Å; T111-L119 VanDerWaalsContact CG2-O 3.28Å; T111-L119 WeakPolarHBondContact CG2-O 3.37Å; T111-K121 HydrophobicContact CG2-CG 4.36Å
112T95Very high92.4Very high116 Ų11659.6 Ų59.671%0.71233%0.329SS*.THydrogen-bonded Turntrans-83.4-17.2171.472.80000112.5D110D110-T112 VanDerWaalsContact CG-OG1 3.28Å; D110-T112 PolarHBondContact O-N 3.28Å; D110-T112 VanDerWaalsContact O-N 3.11Å; D110-T112 WeakPolarHBondContact OD1-CB 3.48Å; D110-T112 PolarHBondContact OD1-N 3.19Å; D110-T112 PolarHBondContact OD1-OG1 3.01Å; D110-T112 PolarHBondContact OD2-OG1 2.91Å
113S96Very high93.4Very high6 Ų655.5 Ų55.54%0.04231%0.307CS..SBendtrans-67.4133.6171.6177.20000110.4D110 L115 F116 E117D110-S113 VanDerWaalsContact O-CB 3.27Å; D110-S113 WeakPolarHBondContact O-CB 3.46Å; D110-S113 PolarHBondContact O-N 2.91Å; S113-L115 PolarHBondContact O-N 3.04Å; S113-L115 PolarHBondContact OG-N 2.82Å; S113-F116 PolarHBondContact O-N 2.81Å; S113-E117 PolarHBondContact O-N 3.11Å
114P95.6Very high94.1Very high43 Ų4359.2 Ų59.228%0.27932%0.318SS..G310 helixtrans-53.9-29.8175.4-26.234.2000113.2N181 I186P114-N181 WeakPolarHBondContact O-CB 3.31Å; P114-I186 HydrophobicContact CB-CD1 4.12Å; P114-I186 HydrophobicContact CB-CG1 3.88Å
115L96.8Very high94.6Very high0 Ų054.8 Ų54.80%030%0.295CS..G310 helixtrans-68.8-33.9179.8-170.566.4000112.8L77 S113 Y161 V163 I178 N181 F182 I186L77-L115 HydrophobicContact CD1-CD1 4.25Å; L77-L115 HydrophobicContact CD1-CD2 4.28Å; S113-L115 PolarHBondContact O-N 3.04Å; S113-L115 PolarHBondContact OG-N 2.82Å; L115-Y161 HydrophobicContact CB-CD1 4.1Å; L115-Y161 HydrophobicContact CD2-CD1 4.42Å; L115-V163 HydrophobicContact CD2-CG1 3.84Å; L115-I178 HydrophobicContact CD1-CG2 3.77Å; L115-I178 HydrophobicContact CD2-CG2 4.43Å; L115-I178 HydrophobicContact CG-CG2 3.92Å; L115-N181 WeakPolarHBondContact O-CB 3.29Å; L115-N181 PolarHBondContact O-ND2 2.96Å; L115-F182 HydrophobicContact CD1-CB 4.01Å; L115-I186 HydrophobicContact CB-CD1 4.28Å; L115-I186 HydrophobicContact CD1-CD1 4.17Å
116F97.2Very high94.6Very high0 Ų052 Ų520%028%0.283CS..G310 helixtrans-108.114.7-176.2-58.4-53.6000113.3C109 S113 G118 L119 V143 A144 V163 F165 I178C109-F116 HydrophobicContact CB-CB 4.31Å; C109-F116 HydrophobicContact CB-CD2 4.38Å; C109-F116 HydrophobicContact CB-CG 4.2Å; S113-F116 PolarHBondContact O-N 2.81Å; F116-G118 PolarHBondContact O-N 3.22Å; F116-L119 HydrophobicContact CB-CD1 4.11Å; F116-L119 HydrophobicContact CD1-CD1 3.8Å; F116-L119 HydrophobicContact CG-CD1 4.43Å; F116-L119 WeakPolarHBondContact O-CB 3.33Å; F116-L119 PolarHBondContact O-N 2.85Å; F116-L119 VanDerWaalsContact O-N 3.1Å; F116-V143 HydrophobicContact CD2-CB 4.19Å; F116-V143 HydrophobicContact CD2-CG2 4.37Å; F116-V143 WeakPolarHBondContact CD2-O 3.16Å; F116-V143 HydrophobicContact CE2-CB 3.89Å; F116-V143 HydrophobicContact CE2-CG2 3.67Å; F116-V143 VanDerWaalsContact CE2-O 3.29Å; F116-V143 WeakPolarHBondContact CE2-O 3.15Å; F116-A144 HydrophobicContact CE2-CB 3.75Å; F116-A144 HydrophobicContact CZ-CB 3.83Å; F116-V163 HydrophobicContact CE1-CG1 4.31Å; F116-V163 HydrophobicContact CZ-CG1 3.95Å; F116-F165 HydrophobicContact CE1-CZ 4.04Å; F116-F165 HydrophobicContact CZ-CZ 4.34Å; F116-I178 HydrophobicContact CD1-CD1 4.11Å; F116-I178 HydrophobicContact CD1-CG1 4.01Å; F116-I178 HydrophobicContact CE1-CD1 3.81Å; F116-I178 HydrophobicContact CE1-CG1 4.1Å
117E95.2Very high94.3Very high101 Ų10147.2 Ų47.247%0.47226%0.263SS..THydrogen-bonded Turntrans-55.3130.5-179.7-169.8-178.4177.900111.8S113 L119 K177 N181 N185S113-E117 PolarHBondContact O-N 3.11Å; E117-L119 PolarHBondContact O-N 2.86Å; E117-K177 VanDerWaalsContact O-CE 3.32Å; E117-K177 WeakPolarHBondContact O-CE 3.43Å; E117-N181 PolarHBondContact N-ND2 2.75Å; E117-N181 PolarHBondContact O-ND2 3.21Å; E117-N185 PolarHBondContact OE2-ND2 3.5Å
118G94.7Very high93.4Very high55 Ų5548 Ų4857%0.56727%0.267SS*.THydrogen-bonded Turntrans73.13.1179.700000115.5F116 K177F116-G118 PolarHBondContact O-N 3.22Å; G118-K177 WeakPolarHBondContact O-CE 3.4Å; G118-K177 PolarHBondContact O-NZ 2.81Å
119L94.7Very high92.2Very high21 Ų2144.7 Ų44.711%0.1125%0.249CC..  trans-77.9166.6170.9-67.5176.8000112T111 F116 E117 E123 C174 K177 I178T111-L119 VanDerWaalsContact CG2-O 3.28Å; T111-L119 WeakPolarHBondContact CG2-O 3.37Å; F116-L119 HydrophobicContact CB-CD1 4.11Å; F116-L119 HydrophobicContact CD1-CD1 3.8Å; F116-L119 HydrophobicContact CG-CD1 4.43Å; F116-L119 WeakPolarHBondContact O-CB 3.33Å; F116-L119 PolarHBondContact O-N 2.85Å; F116-L119 VanDerWaalsContact O-N 3.1Å; E117-L119 PolarHBondContact O-N 2.86Å; L119-E123 HydrophobicContact CB-CG 4.4Å; L119-C174 HydrophobicContact CD1-CB 4.09Å; L119-C174 HydrophobicContact CD2-CB 3.57Å; L119-C174 HydrophobicContact CG-CB 4.49Å; L119-K177 HydrophobicContact CD2-CB 4.08Å; L119-K177 HydrophobicContact CD2-CD 3.67Å; L119-K177 HydrophobicContact CD2-CG 3.94Å; L119-K177 HydrophobicContact CG-CD 4.4Å; L119-K177 HydrophobicContact CG-CG 4.48Å; L119-I178 HydrophobicContact CD1-CD1 4.22Å; L119-I178 HydrophobicContact CD1-CG1 3.73Å
120S94.1Very high91.1Very high72 Ų7245.4 Ų45.450%0.50326%0.258SS..  trans-72.4157.3168.1-51.70000109.6Q122 E123S120-Q122 WeakPolarHBondContact CB-O 3.25Å; S120-Q122 PolarHBondContact O-N 3.25Å; S120-Q122 VanDerWaalsContact O-N 3.15Å; S120-E123 WeakPolarHBondContact CB-OE1 3.34Å; S120-E123 PolarHBondContact N-OE1 3.16Å; S120-E123 PolarHBondContact OG-OE1 3.24Å
121K94.2Very high90.4Very high158 Ų15843.3 Ų43.369%0.68725%0.247SC*.SBendtrans-60.8-23172.6-70.6-173.3177.7-176.80112.8D108 C109 T111D108-K121 CarbonylContact C-O 3.56Å; D108-K121 VanDerWaalsContact CA-O 3.28Å; D108-K121 WeakPolarHBondContact CA-O 3.32Å; C109-K121 PolarHBondContact N-O 2.87Å; T111-K121 HydrophobicContact CG2-CG 4.36Å
122Q95.1Very high90Very high95 Ų9541.8 Ų41.844%0.44424%0.237SC..EExtended strand (participates in β ladder)trans-130.3125.9-179.2-64.9-170.1-39.300110K106 I107 D108 S120K106-Q122 VanDerWaalsContact CE-CB 3.5Å; K106-Q122 VanDerWaalsContact NZ-CD 3.3Å; I107-Q122 VanDerWaalsContact O-CA 3.3Å; I107-Q122 WeakPolarHBondContact O-CA 3.17Å; D108-Q122 VanDerWaalsContact OD1-CG 3.31Å; D108-Q122 WeakPolarHBondContact OD1-CG 3.34Å; D108-Q122 PolarHBondContact OD1-NE2 3.45Å; S120-Q122 WeakPolarHBondContact CB-O 3.25Å; S120-Q122 PolarHBondContact O-N 3.25Å; S120-Q122 VanDerWaalsContact O-N 3.15Å
123E94.7Very high89.6Confident25 Ų2536.4 Ų36.412%0.11720%0.203CC..EExtended strand (participates in β ladder)trans-134.2158.5-176.5-66.8-67.9168.600110.3K106 I107 L119 S120 C174K106-E123 WeakPolarHBondContact CA-O 3.29Å; I107-E123 HydrophobicContact CG1-CB 4.2Å; I107-E123 PolarHBondContact N-O 3.48Å; I107-E123 PolarHBondContact O-N 3.34Å; I107-E123 VanDerWaalsContact O-N 3.09Å; L119-E123 HydrophobicContact CB-CG 4.4Å; S120-E123 WeakPolarHBondContact CB-OE1 3.34Å; S120-E123 PolarHBondContact N-OE1 3.16Å; S120-E123 PolarHBondContact OG-OE1 3.24Å; E123-C174 HydrophobicContact CB-CB 4.28Å; E123-C174 HydrophobicContact CG-CB 4.01Å
124H91.9Very high89.1Confident98 Ų9839.8 Ų39.845%0.45422%0.224SC..EExtended strand (participates in β ladder)trans-103.6128.8175.1-73.1-86000110.3I104 F105 T173I104-H124 HydrophobicContact CG2-CB 3.88Å; F105-H124 WeakPolarHBondContact O-CA 3.49Å; H124-T173 PolarHBondContact O-N 3.42Å
125V92Very high88.8Confident0 Ų040.6 Ų40.60%023%0.228CC..EExtended strand (participates in β ladder)trans-139.6152.1-174.6-610000112.1I104 F105 I107 F127 F165 S172I104-V125 CarbonylContact C-O 3.49Å; I104-V125 WeakPolarHBondContact CA-O 3.25Å; F105-V125 PolarHBondContact N-O 2.88Å; F105-V125 PolarHBondContact O-N 3.45Å; I107-V125 HydrophobicContact CB-CG2 4.38Å; I107-V125 HydrophobicContact CD1-CB 4.43Å; I107-V125 HydrophobicContact CD1-CG1 3.61Å; I107-V125 HydrophobicContact CD1-CG2 3.93Å; I107-V125 HydrophobicContact CG1-CG1 4.04Å; I107-V125 HydrophobicContact CG1-CG2 3.97Å; I107-V125 HydrophobicContact CG2-CG2 3.54Å; V125-F127 HydrophobicContact CG2-CD2 4.09Å; V125-F127 HydrophobicContact CG2-CE2 3.61Å; V125-F127 HydrophobicContact CG2-CZ 4.17Å; V125-F165 HydrophobicContact CB-CB 3.85Å; V125-F165 HydrophobicContact CB-CD1 4.4Å; V125-F165 HydrophobicContact CB-CD2 3.63Å; V125-F165 HydrophobicContact CB-CE2 4.24Å; V125-F165 HydrophobicContact CB-CG 3.71Å; V125-F165 HydrophobicContact CG1-CD1 4.49Å; V125-F165 HydrophobicContact CG1-CD2 3.63Å; V125-F165 HydrophobicContact CG1-CE2 3.71Å; V125-F165 HydrophobicContact CG1-CG 4.04Å; V125-F165 HydrophobicContact CG1-CZ 4.19Å; V125-F165 HydrophobicContact CG2-CB 3.65Å; V125-F165 HydrophobicContact CG2-CD1 3.98Å; V125-F165 HydrophobicContact CG2-CD2 4.1Å; V125-F165 HydrophobicContact CG2-CG 3.65Å; V125-S172 WeakPolarHBondContact CA-OG 3.23Å
126L87.5Confident88.6Confident6 Ų642 Ų423%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-84.6122.7174.6-177.373.2000111.1Y13 T128 F165 H166 V169 L171 S172Y13-L126 HydrophobicContact CE2-CD2 4.36Å; L126-T128 HydrophobicContact CD1-CG2 4.31Å; L126-T128 HydrophobicContact CD2-CG2 4.02Å; L126-T128 HydrophobicContact CG-CG2 4.07Å; L126-F165 WeakPolarHBondContact O-CA 3.48Å; L126-F165 VanDerWaalsContact O-CB 3.27Å; L126-F165 WeakPolarHBondContact O-CB 3.44Å; L126-H166 PolarHBondContact O-N 3.33Å; L126-V169 HydrophobicContact CB-CG2 3.75Å; L126-V169 HydrophobicContact CD2-CB 4.4Å; L126-V169 HydrophobicContact CD2-CG1 4.36Å; L126-V169 HydrophobicContact CD2-CG2 3.62Å; L126-V169 HydrophobicContact CG-CG2 4.31Å; L126-L171 HydrophobicContact CB-CB 4.04Å; L126-L171 HydrophobicContact CD1-CB 4.45Å; L126-L171 HydrophobicContact CD1-CD1 3.92Å; L126-L171 HydrophobicContact CD2-CD1 4.15Å; L126-S172 PolarHBondContact N-OG 3.47Å
127F85.2Confident88.2Confident2 Ų242.2 Ų42.21%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-103.4134.6165-73.6-79000110Q101 D102 G103 F105 I107 V125 H129 A151 Q164 F165Q101-F127 HydrophobicContact CB-CB 4.15Å; Q101-F127 CarbonylContact O-C 3.56Å; D102-F127 VanDerWaalsContact CA-O 3.28Å; D102-F127 WeakPolarHBondContact CA-O 3.49Å; G103-F127 PolarHBondContact N-O 2.78Å; G103-F127 PolarHBondContact O-N 2.8Å; F105-F127 HydrophobicContact CB-CD2 3.66Å; F105-F127 HydrophobicContact CB-CE2 3.83Å; F105-F127 HydrophobicContact CD2-CB 3.91Å; F105-F127 AromaticContact CD2-CD2 3.57Å; F105-F127 HydrophobicContact CD2-CD2 3.57Å; F105-F127 HydrophobicContact CD2-CG 4.19Å; F105-F127 HydrophobicContact CE2-CB 4.11Å; F105-F127 AromaticContact CG-CD2 3.87Å; F105-F127 HydrophobicContact CG-CD2 3.87Å; F105-F127 HydrophobicContact CG-CE2 4.44Å; I107-F127 HydrophobicContact CG2-CE2 3.72Å; I107-F127 HydrophobicContact CG2-CZ 3.76Å; V125-F127 HydrophobicContact CG2-CD2 4.09Å; V125-F127 HydrophobicContact CG2-CE2 3.61Å; V125-F127 HydrophobicContact CG2-CZ 4.17Å; F127-H129 AromaticContact CD1-CD2 3.61Å; F127-H129 AromaticContact CD1-NE2 3.02Å; F127-H129 WeakPolarHBondContact CD1-NE2 3.22Å; F127-H129 AromaticContact CE1-NE2 3.8Å; F127-H129 AromaticContact CG-NE2 3.65Å; F127-A151 HydrophobicContact CE1-CB 4.4Å; F127-A151 HydrophobicContact CZ-CB 3.91Å; F127-Q164 HydrophobicContact CD1-CG 4.15Å; F127-Q164 HydrophobicContact CE1-CB 3.92Å; F127-Q164 HydrophobicContact CE1-CG 3.89Å; F127-F165 HydrophobicContact CD1-CB 3.86Å; F127-F165 HydrophobicContact CD2-CB 4.46Å; F127-F165 HydrophobicContact CE1-CB 3.79Å; F127-F165 HydrophobicContact CE1-CD1 4.45Å; F127-F165 HydrophobicContact CE2-CB 4.38Å; F127-F165 HydrophobicContact CG-CB 4.28Å; F127-F165 HydrophobicContact CZ-CB 4.08Å; F127-F165 HydrophobicContact CZ-CD1 4.35Å
128T77.5Confident88Confident15 Ų1542.5 Ų42.59%0.09226%0.255CS..EExtended strand (participates in β ladder)trans-141.180.1170.951.10000109.7Y13 Q101 L126 H166Y13-T128 HydrophobicContact CE2-CG2 4.43Å; Q101-T128 VanDerWaalsContact O-CA 3.29Å; Q101-T128 WeakPolarHBondContact O-CA 3.48Å; L126-T128 HydrophobicContact CD1-CG2 4.31Å; L126-T128 HydrophobicContact CD2-CG2 4.02Å; L126-T128 HydrophobicContact CG-CG2 4.07Å; T128-H166 PolarHBondContact OG1-CD2 2.88Å; T128-H166 PolarHBondContact OG1-NE2 3.45Å
129H70.8Confident87.8Confident8 Ų842.9 Ų42.94%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-156.7152-176.163113.2000113.2R100 Q101 F127 D131 H132 Q164R100-H129 VanDerWaalsContact CG-O 3.26Å; R100-H129 WeakPolarHBondContact CG-O 3.46Å; Q101-H129 PolarHBondContact N-O 3.12Å; Q101-H129 PolarHBondContact O-N 2.86Å; F127-H129 AromaticContact CD1-CD2 3.61Å; F127-H129 AromaticContact CD1-NE2 3.02Å; F127-H129 WeakPolarHBondContact CD1-NE2 3.22Å; F127-H129 AromaticContact CE1-NE2 3.8Å; F127-H129 AromaticContact CG-NE2 3.65Å; H129-D131 PolarHBondContact ND1-O 3.14Å; H129-H132 AromaticContact CE1-CE1 2.95Å; H129-H132 PolarHBondContact CE1-CE1 3.45Å; H129-H132 AromaticContact CE1-CG 3.77Å; H129-H132 AromaticContact CE1-ND1 3Å; H129-H132 PolarHBondContact CE1-ND1 3.16Å; H129-H132 AromaticContact CE1-NE2 3.73Å; H129-H132 AromaticContact ND1-CE1 3.37Å; H129-H132 PolarHBondContact ND1-CE1 2.84Å; H129-H132 AromaticContact ND1-CG 3.9Å; H129-H132 AromaticContact ND1-ND1 3.54Å; H129-H132 AromaticContact ND1-NE2 3.68Å; H129-H132 AromaticContact NE2-CE1 3.78Å; H129-Q164 VanDerWaalsContact CE1-CG 3.47Å; H129-Q164 WeakPolarHBondContact CE1-CG 3.47Å
130G73Confident87.9Confident24 Ų2442.8 Ų42.825%0.24726%0.257CS..EExtended strand (participates in β ladder)trans-99-29.5169.200000113.2G97 H132G97-G130 PolarHBondContact N-O 3.06Å; G130-H132 PolarHBondContact O-CD2 3.14Å; G130-H132 VanDerWaalsContact O-CD2 3.24Å
131D83.1Confident88Confident17 Ų1745.2 Ų45.29%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-96.4142.5-178.5-71.42.8000111.5S56 Q84 V94 M95 E96 H129S56-D131 WeakPolarHBondContact CA-OD2 3.3Å; S56-D131 WeakPolarHBondContact CB-OD2 3.26Å; S56-D131 PolarHBondContact OG-OD2 2.78Å; Q84-D131 PolarHBondContact NE2-O 2.83Å; V94-D131 HydrophobicContact CG1-CB 3.9Å; M95-D131 CarbonylContact O-C 3.53Å; M95-D131 WeakPolarHBondContact O-CA 3.33Å; E96-D131 WeakPolarHBondContact CA-OD1 3.46Å; H129-D131 PolarHBondContact ND1-O 3.14Å
132H86.1Confident88.1Confident16 Ų1640.1 Ų40.17%0.07424%0.241CC..EExtended strand (participates in β ladder)trans-130.1143-177.5-58-104.2000110.9V94 M95 Q101 H129 G130 V134V94-H132 CarbonylContact C-O 3.55Å; V94-H132 WeakPolarHBondContact CA-O 3.02Å; M95-H132 PolarHBondContact N-O 2.74Å; M95-H132 PolarHBondContact O-N 2.84Å; Q101-H132 PolarHBondContact OE1-CE1 3.01Å; H129-H132 AromaticContact CE1-CE1 2.95Å; H129-H132 PolarHBondContact CE1-CE1 3.45Å; H129-H132 AromaticContact CE1-CG 3.77Å; H129-H132 AromaticContact CE1-ND1 3Å; H129-H132 PolarHBondContact CE1-ND1 3.16Å; H129-H132 AromaticContact CE1-NE2 3.73Å; H129-H132 AromaticContact ND1-CE1 3.37Å; H129-H132 PolarHBondContact ND1-CE1 2.84Å; H129-H132 AromaticContact ND1-CG 3.9Å; H129-H132 AromaticContact ND1-ND1 3.54Å; H129-H132 AromaticContact ND1-NE2 3.68Å; H129-H132 AromaticContact NE2-CE1 3.78Å; G130-H132 PolarHBondContact O-CD2 3.14Å; G130-H132 VanDerWaalsContact O-CD2 3.24Å; H132-V134 PolarHBondContact O-N 3.3Å
133C85.9Confident88.2Confident2 Ų235.8 Ų35.81%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-74.2117.5167.6-67.70000109.9M83 I150M83-C133 HydrophobicContact CE-CB 3.89Å; M83-C133 WeakPolarHBondContact CE-SG 3.29Å; C133-I150 HydrophobicContact CB-CB 4.27Å; C133-I150 HydrophobicContact CB-CG2 4.47Å
134V85.8Confident88.3Confident78 Ų7834.7 Ų34.747%0.47322%0.216SC..EExtended strand (participates in β ladder)trans-88.1-43.7179.9-178.80000110.6Q93 M95 H132Q93-V134 PolarHBondContact O-N 3Å; M95-V134 HydrophobicContact CB-CG2 3.81Å; M95-V134 HydrophobicContact CG-CG2 3.77Å; M95-V134 HydrophobicContact SD-CG2 3.91Å; H132-V134 PolarHBondContact O-N 3.3Å
135T89.3Confident88.5Confident59 Ų5935.2 Ų35.236%0.36222%0.217SC..EExtended strand (participates in β ladder)trans-124.4134.4175.159.90000110.1N87 Q93N87-T135 PolarHBondContact ND2-O 3.14Å; N87-T135 PolarHBondContact OD1-O 2.9Å; Q93-T135 WeakPolarHBondContact CB-OG1 3.26Å; Q93-T135 PolarHBondContact N-O 2.75Å; Q93-T135 PolarHBondContact N-OG1 2.95Å; Q93-T135 PolarHBondContact O-N 3.37Å
136A91.8Very high88.4Confident31 Ų3135.5 Ų35.526%0.25622%0.219SC..PPolyproline II helixtrans-70.8140169.900000109.6N87 V142 I150 I153N87-A136 WeakPolarHBondContact OD1-CA 3.45Å; A136-V142 HydrophobicContact CB-CG2 3.71Å; A136-I150 HydrophobicContact CB-CD1 4.14Å; A136-I153 HydrophobicContact CB-CG2 4.21Å
137A90.4Very high88.3Confident3 Ų340.5 Ų40.53%0.02525%0.254CS..PPolyproline II helixtrans-59.7155.917600000112.6N87 F90 G139 F140N87-A137 WeakPolarHBondContact O-CB 3.43Å; N87-A137 WeakPolarHBondContact OD1-CB 3.46Å; N87-A137 PolarHBondContact OD1-N 3.27Å; F90-A137 HydrophobicContact CB-CB 3.46Å; F90-A137 VanDerWaalsContact CB-CB 3.46Å; F90-A137 WeakPolarHBondContact O-CB 3.44Å; A137-G139 PolarHBondContact O-N 3.05Å; A137-F140 HydrophobicContact CB-CD2 3.8Å; A137-F140 HydrophobicContact CB-CE2 4.33Å; A137-F140 WeakPolarHBondContact O-CB 3.37Å; A137-F140 PolarHBondContact O-N 2.76Å; A137-F140 VanDerWaalsContact O-N 3.08Å
138S89.5Confident88.2Confident108 Ų10845.5 Ų45.576%0.75529%0.29SS*.THydrogen-bonded Turntrans-60.5133.2178.3-66.80000110.9F140S138-F140 VanDerWaalsContact C-N 3.31Å
139G92Very high88.8Confident62 Ų6247.2 Ų47.264%0.63930%0.298SS*.THydrogen-bonded Turntrans83.9-3.5-176.500000115.1A137 N155A137-G139 PolarHBondContact O-N 3.05Å; G139-N155 PolarHBondContact O-ND2 3.41Å
140F95.8Very high89.8Confident19 Ų1947.7 Ų47.78%0.08330%0.301CS..  trans-97.8136.3172.3-73.6-101.8000111.3I86 F90 A137 S138 I153 A154 N155 L160I86-F140 HydrophobicContact CG2-CE1 3.62Å; I86-F140 HydrophobicContact CG2-CE2 4.48Å; I86-F140 HydrophobicContact CG2-CZ 3.51Å; F90-F140 HydrophobicContact CB-CD2 4.43Å; F90-F140 HydrophobicContact CB-CE2 3.86Å; F90-F140 AromaticContact CD1-CE2 3.96Å; F90-F140 HydrophobicContact CD1-CE2 3.96Å; F90-F140 AromaticContact CD2-CE2 3.83Å; F90-F140 HydrophobicContact CD2-CE2 3.83Å; F90-F140 HydrophobicContact CD2-CZ 4.02Å; F90-F140 HydrophobicContact CE1-CE2 4.45Å; F90-F140 HydrophobicContact CE2-CE2 4.35Å; F90-F140 HydrophobicContact CE2-CZ 4.25Å; F90-F140 AromaticContact CG-CE2 3.61Å; F90-F140 HydrophobicContact CG-CE2 3.61Å; F90-F140 HydrophobicContact CG-CZ 4.28Å; A137-F140 HydrophobicContact CB-CD2 3.8Å; A137-F140 HydrophobicContact CB-CE2 4.33Å; A137-F140 WeakPolarHBondContact O-CB 3.37Å; A137-F140 PolarHBondContact O-N 2.76Å; A137-F140 VanDerWaalsContact O-N 3.08Å; S138-F140 VanDerWaalsContact C-N 3.31Å; F140-I153 HydrophobicContact CB-CB 4.37Å; F140-I153 HydrophobicContact CD1-CB 4.1Å; F140-I153 HydrophobicContact CD1-CD1 4Å; F140-I153 HydrophobicContact CD1-CG1 4.09Å; F140-I153 HydrophobicContact CE1-CD1 4.33Å; F140-A154 CarbonylContact C-O 3.59Å; F140-A154 WeakPolarHBondContact CA-O 3.38Å; F140-N155 HydrophobicContact CD1-CB 3.73Å; F140-N155 HydrophobicContact CD2-CB 4.31Å; F140-N155 HydrophobicContact CE1-CB 3.61Å; F140-N155 HydrophobicContact CE2-CB 4.2Å; F140-N155 HydrophobicContact CG-CB 4.09Å; F140-N155 HydrophobicContact CZ-CB 3.86Å; F140-L160 HydrophobicContact CE1-CB 3.84Å; F140-L160 HydrophobicContact CZ-CB 3.95Å; F140-L160 HydrophobicContact CZ-CD1 3.91Å
141K96.4Very high90.9Very high124 Ų12446.6 Ų46.654%0.53929%0.289SS..EExtended strand (participates in β ladder)trans-89.7139.1168.8-60.5172.6-167.8158.40109.1V143 I153 A154 D156K141-V143 HydrophobicContact CB-CG1 4.31Å; K141-V143 PolarHBondContact O-N 3.32Å; K141-I153 CarbonylContact O-C 3.55Å; K141-I153 VanDerWaalsContact O-CA 3.3Å; K141-I153 WeakPolarHBondContact O-CA 3.48Å; K141-A154 PolarHBondContact N-O 3.14Å; K141-A154 PolarHBondContact O-N 3.25Å; K141-D156 IonicContact NZ-OD2 2.69Å; K141-D156 PolarHBondContact NZ-OD2 2.87Å; K141-D156 VanDerWaalsContact NZ-OD2 3.11Å
142V96.8Very high91.6Very high51 Ų5145.8 Ų45.831%0.30929%0.285SS..EExtended strand (participates in β ladder)trans-78.4112.2168.2177.60000108.3A136 A144 K145 I150A136-V142 HydrophobicContact CB-CG2 3.71Å; V142-A144 WeakPolarHBondContact CG1-O 3.42Å; V142-K145 HydrophobicContact CG1-CD 4.29Å; V142-K145 HydrophobicContact CG1-CG 3.68Å; V142-I150 HydrophobicContact CG1-CG1 4.39Å; V142-I150 HydrophobicContact CG1-CG2 4.17Å; V142-I150 HydrophobicContact CG2-CD1 4.08Å; V142-I150 HydrophobicContact CG2-CG1 4.13Å; V142-I150 HydrophobicContact CG2-CG2 4.29Å
143V97Very high92.1Very high4 Ų445 Ų452%0.02428%0.281CS..EExtended strand (participates in β ladder)trans-107.2-8-174.8-70.40000113.4D110 F116 K141 G152 A154D110-V143 HydrophobicContact CB-CB 4.32Å; D110-V143 WeakPolarHBondContact CB-O 3.12Å; D110-V143 PolarHBondContact N-O 2.96Å; F116-V143 HydrophobicContact CD2-CB 4.19Å; F116-V143 HydrophobicContact CD2-CG2 4.37Å; F116-V143 WeakPolarHBondContact CD2-O 3.16Å; F116-V143 HydrophobicContact CE2-CB 3.89Å; F116-V143 HydrophobicContact CE2-CG2 3.67Å; F116-V143 VanDerWaalsContact CE2-O 3.29Å; F116-V143 WeakPolarHBondContact CE2-O 3.15Å; K141-V143 HydrophobicContact CB-CG1 4.31Å; K141-V143 PolarHBondContact O-N 3.32Å; V143-G152 PolarHBondContact N-O 2.99Å; V143-A154 HydrophobicContact CB-CB 4.44Å; V143-A154 HydrophobicContact CG1-CB 3.69Å; V143-A154 HydrophobicContact CG2-CB 3.87Å
144A96.9Very high92.7Very high2 Ų244.9 Ų44.92%0.01728%0.281CS..EExtended strand (participates in β ladder)trans-147.7147.7167.400000111.3D108 F116 V142 A151 G152D108-A144 CarbonylContact O-C 3.56Å; D108-A144 VanDerWaalsContact O-CA 3.25Å; D108-A144 WeakPolarHBondContact O-CA 3.27Å; F116-A144 HydrophobicContact CE2-CB 3.75Å; F116-A144 HydrophobicContact CZ-CB 3.83Å; V142-A144 WeakPolarHBondContact CG1-O 3.42Å; A144-A151 HydrophobicContact CB-CB 3.99Å; A144-A151 PolarHBondContact O-N 3.31Å; A144-G152 PolarHBondContact N-O 2.98Å; A144-G152 PolarHBondContact O-N 2.96Å; A144-G152 VanDerWaalsContact O-N 3.08Å
145K95.3Very high93.2Very high108 Ų10841.9 Ų41.947%0.4726%0.262SS..EExtended strand (participates in β ladder)trans-134.2146.2176.8-65.7-176179.8-179.70111.5I107 D108 V142 N149I107-K145 CarbonylContact C-O 3.58Å; I107-K145 VanDerWaalsContact CA-O 3.26Å; I107-K145 WeakPolarHBondContact CA-O 3.46Å; D108-K145 PolarHBondContact N-O 2.92Å; D108-K145 PolarHBondContact O-N 3.4Å; V142-K145 HydrophobicContact CG1-CD 4.29Å; V142-K145 HydrophobicContact CG1-CG 3.68Å; K145-N149 CarbonylContact C-O 3.51Å; K145-N149 VanDerWaalsContact CA-O 3.31Å; K145-N149 WeakPolarHBondContact CA-O 3.43Å
146S90.5Very high93.4Very high6 Ų641.8 Ų41.84%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-116.2104.9163.7-166.70000108.4K106 S148 N149K106-S146 PolarHBondContact O-OG 3.44Å; S146-S148 PolarHBondContact O-N 3.31Å; S146-N149 PolarHBondContact N-O 2.89Å; S146-N149 PolarHBondContact O-N 2.9Å
147S85.8Confident93.5Very high111 Ų11148.9 Ų48.978%0.77629%0.287SS*.THydrogen-bonded Turntrans53.6-111-170.2-520000111.2
148S82.5Confident93.7Very high108 Ų10852.2 Ų52.276%0.75530%0.301SS*.THydrogen-bonded Turntrans-89.2-15.5176.453.40000114.5S146S146-S148 PolarHBondContact O-N 3.31Å
149N89.1Confident94Very high50 Ų5050.3 Ų50.327%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-88.4143.3-170.1-65.1-19.2000111.7K145 S146 A151K145-N149 CarbonylContact C-O 3.51Å; K145-N149 VanDerWaalsContact CA-O 3.31Å; K145-N149 WeakPolarHBondContact CA-O 3.43Å; S146-N149 PolarHBondContact N-O 2.89Å; S146-N149 PolarHBondContact O-N 2.9Å; N149-A151 PolarHBondContact O-N 3.42Å
150I93.8Very high94.2Very high18 Ų1847.4 Ų47.49%0.09225%0.247CC..EExtended strand (participates in β ladder)trans-72.3117.8174.5-61.6172.8000108.5M83 C133 A136 V142 I153M83-I150 HydrophobicContact CE-CG2 4.43Å; C133-I150 HydrophobicContact CB-CB 4.27Å; C133-I150 HydrophobicContact CB-CG2 4.47Å; A136-I150 HydrophobicContact CB-CD1 4.14Å; V142-I150 HydrophobicContact CG1-CG1 4.39Å; V142-I150 HydrophobicContact CG1-CG2 4.17Å; V142-I150 HydrophobicContact CG2-CD1 4.08Å; V142-I150 HydrophobicContact CG2-CG1 4.13Å; V142-I150 HydrophobicContact CG2-CG2 4.29Å; I150-I153 HydrophobicContact CG2-CG2 3.64Å
151A95.4Very high94.3Very high1 Ų146.9 Ų46.91%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-103.6-17.1179.200000113I107 F127 A144 N149 V163 Q164 F165I107-A151 HydrophobicContact CG2-CB 3.97Å; F127-A151 HydrophobicContact CE1-CB 4.4Å; F127-A151 HydrophobicContact CZ-CB 3.91Å; A144-A151 HydrophobicContact CB-CB 3.99Å; A144-A151 PolarHBondContact O-N 3.31Å; N149-A151 PolarHBondContact O-N 3.42Å; A151-V163 CarbonylContact O-C 3.6Å; A151-V163 WeakPolarHBondContact O-CA 3.31Å; A151-Q164 PolarHBondContact O-N 3.03Å; A151-F165 HydrophobicContact CB-CD1 4.4Å
152G97.1Very high94.4Very high0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-161.1146.817500000113.4V143 A144 G162V143-G152 PolarHBondContact N-O 2.99Å; A144-G152 PolarHBondContact N-O 2.98Å; A144-G152 PolarHBondContact O-N 2.96Å; A144-G152 VanDerWaalsContact O-N 3.08Å; G152-G162 CarbonylContact C-O 3.38Å; G152-G162 WeakPolarHBondContact CA-O 3.28Å
153I97.6Very high94.4Very high0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-129.3148.9179.461.7177.3000110.6M83 I86 N87 A136 F140 K141 I150 G162M83-I153 HydrophobicContact CG-CD1 3.8Å; M83-I153 HydrophobicContact CG-CG1 3.78Å; M83-I153 HydrophobicContact SD-CG1 4.22Å; I86-I153 HydrophobicContact CG2-CD1 4.26Å; N87-I153 HydrophobicContact CB-CD1 4.01Å; A136-I153 HydrophobicContact CB-CG2 4.21Å; F140-I153 HydrophobicContact CB-CB 4.37Å; F140-I153 HydrophobicContact CD1-CB 4.1Å; F140-I153 HydrophobicContact CD1-CD1 4Å; F140-I153 HydrophobicContact CD1-CG1 4.09Å; F140-I153 HydrophobicContact CE1-CD1 4.33Å; K141-I153 CarbonylContact O-C 3.55Å; K141-I153 VanDerWaalsContact O-CA 3.3Å; K141-I153 WeakPolarHBondContact O-CA 3.48Å; I150-I153 HydrophobicContact CG2-CG2 3.64Å; I153-G162 PolarHBondContact N-O 3.02Å; I153-G162 PolarHBondContact O-N 3.05Å
154A97.6Very high94.3Very high0 Ų038.4 Ų38.40%020%0.203CC..EExtended strand (participates in β ladder)trans-144.2139.4177.300000111.8F140 K141 V143 L160 Y161F140-A154 CarbonylContact C-O 3.59Å; F140-A154 WeakPolarHBondContact CA-O 3.38Å; K141-A154 PolarHBondContact N-O 3.14Å; K141-A154 PolarHBondContact O-N 3.25Å; V143-A154 HydrophobicContact CB-CB 4.44Å; V143-A154 HydrophobicContact CG1-CB 3.69Å; V143-A154 HydrophobicContact CG2-CB 3.87Å; A154-L160 CarbonylContact C-O 3.53Å; A154-L160 WeakPolarHBondContact CA-O 3.28Å; A154-Y161 HydrophobicContact CB-CD1 3.66Å; A154-Y161 HydrophobicContact CB-CE1 3.78Å
155N96.6Very high94.1Very high15 Ų1538.3 Ų38.38%0.0820%0.202CC..EExtended strand (participates in β ladder)trans-12697.9165.4-178.4-33.5000107.4G139 F140 E157 K158 R159 L160G139-N155 PolarHBondContact O-ND2 3.41Å; F140-N155 HydrophobicContact CD1-CB 3.73Å; F140-N155 HydrophobicContact CD2-CB 4.31Å; F140-N155 HydrophobicContact CE1-CB 3.61Å; F140-N155 HydrophobicContact CE2-CB 4.2Å; F140-N155 HydrophobicContact CG-CB 4.09Å; F140-N155 HydrophobicContact CZ-CB 3.86Å; N155-E157 VanDerWaalsContact C-N 3.31Å; N155-E157 PolarHBondContact O-N 3Å; N155-E157 PolarHBondContact OD1-N 2.93Å; N155-K158 PolarHBondContact O-N 2.98Å; N155-K158 PolarHBondContact OD1-N 3.1Å; N155-R159 WeakPolarHBondContact O-CA 3.32Å; N155-R159 PolarHBondContact O-N 3.33Å; N155-L160 HydrophobicContact CB-CB 4.39Å; N155-L160 PolarHBondContact N-O 3.14Å; N155-L160 PolarHBondContact O-N 3Å
156D94.4Very high93.9Very high57 Ų5733.5 Ų33.531%0.30518%0.182SC..THydrogen-bonded Turntrans-66.8-32.6-175.5-56.4-53.6000112.2K141 R159 Y161K141-D156 IonicContact NZ-OD2 2.69Å; K141-D156 PolarHBondContact NZ-OD2 2.87Å; K141-D156 VanDerWaalsContact NZ-OD2 3.11Å; D156-R159 PolarHBondContact O-N 3.28Å; D156-Y161 PolarHBondContact OD1-OH 2.82Å
157E93.2Very high94.1Very high180 Ų18033.3 Ų33.384%0.84118%0.18SC*.THydrogen-bonded Turntrans-66.9-43.7179.7-65.4179.3-177.300111.7N155N155-E157 VanDerWaalsContact C-N 3.31Å; N155-E157 PolarHBondContact O-N 3Å; N155-E157 PolarHBondContact OD1-N 2.93Å
158K93.5Very high94.4Very high72 Ų7228 Ų2831%0.31314%0.143SC..THydrogen-bonded Turntrans-86.6-5.6174.8-67.3-161.3168.4-152.40113.6D71 F90 N155 L160D71-K158 IonicContact OD1-NZ 2.6Å; D71-K158 PolarHBondContact OD1-NZ 2.81Å; F90-K158 HydrophobicContact CE1-CD 3.86Å; F90-K158 HydrophobicContact CZ-CD 3.87Å; N155-K158 PolarHBondContact O-N 2.98Å; N155-K158 PolarHBondContact OD1-N 3.1Å; K158-L160 VanDerWaalsContact C-N 3.25Å; K158-L160 HydrophobicContact CB-CD1 3.81Å; K158-L160 HydrophobicContact CB-CG 3.75Å; K158-L160 HydrophobicContact CD-CD1 4Å; K158-L160 PolarHBondContact O-N 3.09Å
159R96Very high94.6Very high69 Ų6923.1 Ų23.126%0.2611%0.108SC..THydrogen-bonded Turntrans55.538.8-174.1-55.7169.372-161.34112.7P75 V76 N155 D156 Y161 I186P75-R159 WeakPolarHBondContact CA-O 3.45Å; P75-R159 HydrophobicContact CG-CB 4.41Å; V76-R159 PolarHBondContact N-O 2.59Å; V76-R159 VanDerWaalsContact N-O 3.11Å; N155-R159 WeakPolarHBondContact O-CA 3.32Å; N155-R159 PolarHBondContact O-N 3.33Å; D156-R159 PolarHBondContact O-N 3.28Å; R159-Y161 HydrophobicContact CB-CE2 4.36Å; R159-I186 PolarHBondContact NH2-O 3.33Å
160L97Very high94.2Very high1 Ų124.2 Ų24.21%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-105.4123.7178.9-57.6176.9000109.8F70 V76 F90 F140 A154 N155 K158F70-L160 HydrophobicContact CB-CD1 4.03Å; F70-L160 HydrophobicContact CB-CD2 4.41Å; F70-L160 HydrophobicContact CD1-CD2 4.08Å; V76-L160 HydrophobicContact CB-CD2 3.65Å; V76-L160 HydrophobicContact CG2-CD2 3.5Å; F90-L160 HydrophobicContact CE2-CD1 3.61Å; F90-L160 HydrophobicContact CZ-CD1 3.58Å; F140-L160 HydrophobicContact CE1-CB 3.84Å; F140-L160 HydrophobicContact CZ-CB 3.95Å; F140-L160 HydrophobicContact CZ-CD1 3.91Å; A154-L160 CarbonylContact C-O 3.53Å; A154-L160 WeakPolarHBondContact CA-O 3.28Å; N155-L160 HydrophobicContact CB-CB 4.39Å; N155-L160 PolarHBondContact N-O 3.14Å; N155-L160 PolarHBondContact O-N 3Å; K158-L160 VanDerWaalsContact C-N 3.25Å; K158-L160 HydrophobicContact CB-CD1 3.81Å; K158-L160 HydrophobicContact CB-CG 3.75Å; K158-L160 HydrophobicContact CD-CD1 4Å; K158-L160 PolarHBondContact O-N 3.09Å
161Y98.2Very high93.7Very high8 Ų826.8 Ų26.83%0.03113%0.128CC..EExtended strand (participates in β ladder)trans-128.6148.3-176.3-62.3-87.2000109.4V76 L77 G78 I86 L115 A154 D156 R159 F182 I186V76-Y161 PolarHBondContact O-N 2.91Å; L77-Y161 CarbonylContact C-O 3.57Å; L77-Y161 VanDerWaalsContact CA-O 3.32Å; L77-Y161 WeakPolarHBondContact CA-O 3.3Å; G78-Y161 PolarHBondContact N-O 3.15Å; I86-Y161 WeakPolarHBondContact CD1-O 3.15Å; L115-Y161 HydrophobicContact CB-CD1 4.1Å; L115-Y161 HydrophobicContact CD2-CD1 4.42Å; A154-Y161 HydrophobicContact CB-CD1 3.66Å; A154-Y161 HydrophobicContact CB-CE1 3.78Å; D156-Y161 PolarHBondContact OD1-OH 2.82Å; R159-Y161 HydrophobicContact CB-CE2 4.36Å; Y161-F182 HydrophobicContact CD2-CE2 4.49Å; Y161-I186 HydrophobicContact CD1-CD1 4.16Å; Y161-I186 HydrophobicContact CD2-CD1 3.93Å; Y161-I186 HydrophobicContact CD2-CG2 4.15Å; Y161-I186 HydrophobicContact CE1-CD1 3.92Å; Y161-I186 HydrophobicContact CE2-CB 4.49Å; Y161-I186 HydrophobicContact CE2-CD1 3.67Å; Y161-I186 HydrophobicContact CE2-CG1 4.16Å; Y161-I186 HydrophobicContact CE2-CG2 3.55Å; Y161-I186 HydrophobicContact CG-CD1 4.17Å
162G97.3Very high93.4Very high0 Ų026.9 Ų26.90%013%0.128CC..EExtended strand (participates in β ladder)trans-152.7146.7173.900000113.1G78 M83 G152 I153G78-G162 CarbonylContact O-C 3.59Å; G78-G162 WeakPolarHBondContact O-CA 3.46Å; M83-G162 VanDerWaalsContact SD-C 3.6Å; G152-G162 CarbonylContact C-O 3.38Å; G152-G162 WeakPolarHBondContact CA-O 3.28Å; I153-G162 PolarHBondContact N-O 3.02Å; I153-G162 PolarHBondContact O-N 3.05Å
163V97.3Very high92.9Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-130.9137.6177.1-67.40000110G78 I79 C80 L115 F116 A151 F165 P167G78-V163 PolarHBondContact O-N 2.89Å; I79-V163 CarbonylContact C-O 3.57Å; I79-V163 HydrophobicContact CG1-CG2 4.18Å; C80-V163 PolarHBondContact N-O 3.39Å; L115-V163 HydrophobicContact CD2-CG1 3.84Å; F116-V163 HydrophobicContact CE1-CG1 4.31Å; F116-V163 HydrophobicContact CZ-CG1 3.95Å; A151-V163 CarbonylContact O-C 3.6Å; A151-V163 WeakPolarHBondContact O-CA 3.31Å; V163-F165 HydrophobicContact CB-CD1 4.13Å; V163-F165 HydrophobicContact CB-CE1 3.79Å; V163-F165 HydrophobicContact CB-CE2 4.29Å; V163-F165 HydrophobicContact CB-CZ 3.89Å; V163-F165 HydrophobicContact CG1-CE1 3.87Å; V163-F165 HydrophobicContact CG1-CE2 4.44Å; V163-F165 HydrophobicContact CG1-CZ 3.74Å; V163-P167 HydrophobicContact CG2-CG 3.95Å
164Q94.6Very high92.7Very high1 Ų132.1 Ų32.11%0.00516%0.161CC..SBendtrans-81.6-26.1-178.6-176.458.879.500112.2M83 Q84 F127 H129 A151M83-Q164 HydrophobicContact CE-CB 3.6Å; M83-Q164 HydrophobicContact CE-CG 4.28Å; M83-Q164 HydrophobicContact SD-CB 4Å; M83-Q164 PolarHBondContact SD-N 3.2Å; Q84-Q164 VanDerWaalsContact NE2-NE2 3.1Å; Q84-Q164 VanDerWaalsContact NE2-OE1 3.13Å; F127-Q164 HydrophobicContact CD1-CG 4.15Å; F127-Q164 HydrophobicContact CE1-CB 3.92Å; F127-Q164 HydrophobicContact CE1-CG 3.89Å; H129-Q164 VanDerWaalsContact CE1-CG 3.47Å; H129-Q164 WeakPolarHBondContact CE1-CG 3.47Å; A151-Q164 PolarHBondContact O-N 3.03Å
165F93.1Very high92.5Very high0 Ų032.1 Ų32.10%016%0.161CC..SBendtrans-86.5170.317560.1-91.3000111.1I107 F116 V125 L126 F127 A151 V163 P167 I178I107-F165 HydrophobicContact CD1-CD1 4.06Å; I107-F165 HydrophobicContact CD1-CE1 3.5Å; I107-F165 VanDerWaalsContact CD1-CE1 3.5Å; I107-F165 HydrophobicContact CD1-CZ 3.77Å; F116-F165 HydrophobicContact CE1-CZ 4.04Å; F116-F165 HydrophobicContact CZ-CZ 4.34Å; V125-F165 HydrophobicContact CB-CB 3.85Å; V125-F165 HydrophobicContact CB-CD1 4.4Å; V125-F165 HydrophobicContact CB-CD2 3.63Å; V125-F165 HydrophobicContact CB-CE2 4.24Å; V125-F165 HydrophobicContact CB-CG 3.71Å; V125-F165 HydrophobicContact CG1-CD1 4.49Å; V125-F165 HydrophobicContact CG1-CD2 3.63Å; V125-F165 HydrophobicContact CG1-CE2 3.71Å; V125-F165 HydrophobicContact CG1-CG 4.04Å; V125-F165 HydrophobicContact CG1-CZ 4.19Å; V125-F165 HydrophobicContact CG2-CB 3.65Å; V125-F165 HydrophobicContact CG2-CD1 3.98Å; V125-F165 HydrophobicContact CG2-CD2 4.1Å; V125-F165 HydrophobicContact CG2-CG 3.65Å; L126-F165 WeakPolarHBondContact O-CA 3.48Å; L126-F165 VanDerWaalsContact O-CB 3.27Å; L126-F165 WeakPolarHBondContact O-CB 3.44Å; F127-F165 HydrophobicContact CD1-CB 3.86Å; F127-F165 HydrophobicContact CD2-CB 4.46Å; F127-F165 HydrophobicContact CE1-CB 3.79Å; F127-F165 HydrophobicContact CE1-CD1 4.45Å; F127-F165 HydrophobicContact CE2-CB 4.38Å; F127-F165 HydrophobicContact CG-CB 4.28Å; F127-F165 HydrophobicContact CZ-CB 4.08Å; F127-F165 HydrophobicContact CZ-CD1 4.35Å; A151-F165 HydrophobicContact CB-CD1 4.4Å; V163-F165 HydrophobicContact CB-CD1 4.13Å; V163-F165 HydrophobicContact CB-CE1 3.79Å; V163-F165 HydrophobicContact CB-CE2 4.29Å; V163-F165 HydrophobicContact CB-CZ 3.89Å; V163-F165 HydrophobicContact CG1-CE1 3.87Å; V163-F165 HydrophobicContact CG1-CE2 4.44Å; V163-F165 HydrophobicContact CG1-CZ 3.74Å; F165-P167 HydrophobicContact CE2-CB 4.19Å; F165-P167 WeakPolarHBondContact O-CD 3.35Å; F165-I178 HydrophobicContact CE2-CD1 3.64Å; F165-I178 HydrophobicContact CZ-CD1 3.74Å
166H92.1Very high92.3Very high7 Ų734.5 Ų34.53%0.03217%0.173CC..  trans-98.196.5-179.5-72.1-85000111.3Y13 C80 L126 T128 E168 V169 S172Y13-H166 AromaticContact CD2-ND1 3.81Å; C80-H166 WeakPolarHBondContact CB-NE2 3.06Å; L126-H166 PolarHBondContact O-N 3.33Å; T128-H166 PolarHBondContact OG1-CD2 2.88Å; T128-H166 PolarHBondContact OG1-NE2 3.45Å; H166-E168 WeakPolarHBondContact CA-OE2 3.48Å; H166-E168 WeakPolarHBondContact CB-OE2 3.35Å; H166-E168 IonicContact CE1-OE1 3.11Å; H166-E168 IonicContact CG-OE1 3.83Å; H166-E168 IonicContact CG-OE2 3.51Å; H166-E168 IonicContact ND1-OE1 2.79Å; H166-E168 PolarHBondContact ND1-OE1 3.09Å; H166-E168 IonicContact ND1-OE2 2.66Å; H166-E168 PolarHBondContact O-N 3.36Å; H166-V169 HydrophobicContact CB-CG1 4.47Å; H166-V169 HydrophobicContact CB-CG2 3.97Å; H166-V169 WeakPolarHBondContact O-CG2 3.26Å; H166-S172 VanDerWaalsContact O-CB 3.26Å; H166-S172 WeakPolarHBondContact O-CB 3.5Å; H166-S172 PolarHBondContact O-OG 3.13Å
167P94.4Very high92.4Very high1 Ų135.9 Ų35.91%0.00618%0.177CC..THydrogen-bonded Turntrans-71-13.3176.231.7-38.7000113.6I79 V163 F165 G175 I178 L179I79-P167 HydrophobicContact CD1-CG 3.96Å; I79-P167 HydrophobicContact CG1-CG 4.22Å; V163-P167 HydrophobicContact CG2-CG 3.95Å; F165-P167 HydrophobicContact CE2-CB 4.19Å; F165-P167 WeakPolarHBondContact O-CD 3.35Å; P167-G175 CarbonylContact O-C 3.58Å; P167-G175 WeakPolarHBondContact O-CA 3.29Å; P167-I178 HydrophobicContact CB-CB 4.33Å; P167-I178 HydrophobicContact CB-CD1 4.37Å; P167-I178 HydrophobicContact CB-CG2 4.29Å; P167-L179 HydrophobicContact CG-CD2 4.4Å
168E91.4Very high92.6Very high0 Ų027.3 Ų27.30%014%0.136CC..THydrogen-bonded Turntrans-75.5-24.9-177.365.8-86.5-150.200113.4V16 I17 R20 H166V16-E168 HydrophobicContact CB-CB 4.28Å; V16-E168 HydrophobicContact CB-CG 4.02Å; V16-E168 HydrophobicContact CG1-CB 4.09Å; V16-E168 HydrophobicContact CG1-CG 4.19Å; V16-E168 WeakPolarHBondContact CG1-O 3.39Å; I17-E168 HydrophobicContact CB-CB 4.48Å; I17-E168 HydrophobicContact CG1-CB 3.77Å; I17-E168 HydrophobicContact CG1-CG 3.71Å; R20-E168 HydrophobicContact CG-CB 4.45Å; R20-E168 WeakPolarHBondContact CG-O 3.42Å; R20-E168 PolarHBondContact NE-O 2.96Å; H166-E168 WeakPolarHBondContact CA-OE2 3.48Å; H166-E168 WeakPolarHBondContact CB-OE2 3.35Å; H166-E168 IonicContact CE1-OE1 3.11Å; H166-E168 IonicContact CG-OE1 3.83Å; H166-E168 IonicContact CG-OE2 3.51Å; H166-E168 IonicContact ND1-OE1 2.79Å; H166-E168 PolarHBondContact ND1-OE1 3.09Å; H166-E168 IonicContact ND1-OE2 2.66Å; H166-E168 PolarHBondContact O-N 3.36Å
169V85.8Confident92.8Very high5 Ų523.9 Ų23.93%0.0312%0.122CC..SBendtrans-87.9149.6-176.9-630000112.7Y13 L126 H166 L171 S172Y13-V169 HydrophobicContact CD1-CG1 3.78Å; Y13-V169 HydrophobicContact CD2-CG1 4.22Å; Y13-V169 HydrophobicContact CE1-CG1 4.09Å; Y13-V169 HydrophobicContact CG-CG1 3.86Å; L126-V169 HydrophobicContact CB-CG2 3.75Å; L126-V169 HydrophobicContact CD2-CB 4.4Å; L126-V169 HydrophobicContact CD2-CG1 4.36Å; L126-V169 HydrophobicContact CD2-CG2 3.62Å; L126-V169 HydrophobicContact CG-CG2 4.31Å; H166-V169 HydrophobicContact CB-CG1 4.47Å; H166-V169 HydrophobicContact CB-CG2 3.97Å; H166-V169 WeakPolarHBondContact O-CG2 3.26Å; V169-L171 HydrophobicContact CG2-CB 4.3Å; V169-L171 PolarHBondContact O-N 3.33Å; V169-S172 PolarHBondContact O-N 2.8Å; V169-S172 VanDerWaalsContact O-N 3.1Å
170D82Confident92.8Very high73 Ų7325.8 Ų25.839%0.3913%0.132SC..THydrogen-bonded Turntrans-64.6-23.2178.2-69.9-65.2000113.9R20 S172 A689R20-D170 IonicContact CZ-OD1 2.91Å; R20-D170 IonicContact NH1-OD1 3.57Å; R20-D170 IonicContact NH2-OD1 3.68Å; R20-D170 PolarHBondContact NH2-OD1 3.04Å; R20-D170 IonicContact NH2-OD2 3.55Å; R20-D170 PolarHBondContact NH2-OD2 3.37Å; D170-S172 PolarHBondContact O-N 3.29Å; D170-A689 HydrophobicContact CB-CB 3.72Å; D170-A689 WeakPolarHBondContact OD2-CB 3.43Å
171L83.1Confident92.9Very high72 Ų7226.2 Ų26.238%0.37713%0.134SC..THydrogen-bonded Turntrans-65.2-20.7176.1-64.2173.1000112I104 L126 V169I104-L171 HydrophobicContact CD1-CB 4.49Å; I104-L171 HydrophobicContact CD1-CD2 4.09Å; I104-L171 HydrophobicContact CG1-CB 4.36Å; L126-L171 HydrophobicContact CB-CB 4.04Å; L126-L171 HydrophobicContact CD1-CB 4.45Å; L126-L171 HydrophobicContact CD1-CD1 3.92Å; L126-L171 HydrophobicContact CD2-CD1 4.15Å; V169-L171 HydrophobicContact CG2-CB 4.3Å; V169-L171 PolarHBondContact O-N 3.33Å
172S89.3Confident92.9Very high3 Ų325.8 Ų25.82%0.02113%0.132CC..SBendtrans-92.691.9167.9-63.60000109.6V125 L126 H166 V169 D170 C174 G175V125-S172 WeakPolarHBondContact CA-OG 3.23Å; L126-S172 PolarHBondContact N-OG 3.47Å; H166-S172 VanDerWaalsContact O-CB 3.26Å; H166-S172 WeakPolarHBondContact O-CB 3.5Å; H166-S172 PolarHBondContact O-OG 3.13Å; V169-S172 PolarHBondContact O-N 2.8Å; V169-S172 VanDerWaalsContact O-N 3.1Å; D170-S172 PolarHBondContact O-N 3.29Å; S172-C174 PolarHBondContact O-N 3.11Å; S172-C174 VanDerWaalsContact O-N 3.08Å; S172-G175 WeakPolarHBondContact O-CA 3.48Å; S172-G175 PolarHBondContact O-N 2.88Å
173T87Confident92.9Very high105 Ų10525.8 Ų25.864%0.64413%0.132SC*.THydrogen-bonded Turntrans-60.2-27.3-170.954.10000114H124H124-T173 PolarHBondContact O-N 3.42Å
174C92.6Very high92.9Very high6 Ų628 Ų284%0.04114%0.142CC..THydrogen-bonded Turntrans-89.6-5.7176.459.80000114.2L119 E123 S172 L176 K177 I178L119-C174 HydrophobicContact CD1-CB 4.09Å; L119-C174 HydrophobicContact CD2-CB 3.57Å; L119-C174 HydrophobicContact CG-CB 4.49Å; E123-C174 HydrophobicContact CB-CB 4.28Å; E123-C174 HydrophobicContact CG-CB 4.01Å; S172-C174 PolarHBondContact O-N 3.11Å; S172-C174 VanDerWaalsContact O-N 3.08Å; C174-L176 PolarHBondContact O-N 3.07Å; C174-K177 WeakPolarHBondContact O-CB 3.46Å; C174-K177 PolarHBondContact O-N 3.17Å; C174-I178 PolarHBondContact O-N 2.94Å; C174-I178 VanDerWaalsContact O-N 3.14Å
175G93.7Very high92.9Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-59.4-45.4-166.800000114.6P167 S172 K177 I178 L179P167-G175 CarbonylContact O-C 3.58Å; P167-G175 WeakPolarHBondContact O-CA 3.29Å; S172-G175 WeakPolarHBondContact O-CA 3.48Å; S172-G175 PolarHBondContact O-N 2.88Å; G175-K177 PolarHBondContact O-N 3.13Å; G175-I178 WeakPolarHBondContact O-CB 3.14Å; G175-I178 PolarHBondContact O-N 2.84Å; G175-I178 VanDerWaalsContact O-N 3.14Å; G175-L179 PolarHBondContact O-N 2.91Å
176L93.3Very high93.1Very high64 Ų6431.9 Ų31.934%0.33516%0.163SC..Hα-helixtrans-60.5-34.9177-174.365.8000112.2L24 C174 K180L24-L176 HydrophobicContact CD1-CD1 4.06Å; L24-L176 HydrophobicContact CD2-CD1 4Å; L24-L176 HydrophobicContact CD2-CG 4.42Å; L24-L176 HydrophobicContact CG-CD1 3.95Å; C174-L176 PolarHBondContact O-N 3.07Å; L176-K180 WeakPolarHBondContact O-CB 3.35Å; L176-K180 PolarHBondContact O-N 3.01Å
177K95.9Very high93.3Very high86 Ų8632.1 Ų32.137%0.37417%0.165SC..Hα-helixtrans-72.4-36.5177.7-177.7160.1174.8176.80112E117 G118 L119 C174 G175 K180 N181E117-K177 VanDerWaalsContact O-CE 3.32Å; E117-K177 WeakPolarHBondContact O-CE 3.43Å; G118-K177 WeakPolarHBondContact O-CE 3.4Å; G118-K177 PolarHBondContact O-NZ 2.81Å; L119-K177 HydrophobicContact CD2-CB 4.08Å; L119-K177 HydrophobicContact CD2-CD 3.67Å; L119-K177 HydrophobicContact CD2-CG 3.94Å; L119-K177 HydrophobicContact CG-CD 4.4Å; L119-K177 HydrophobicContact CG-CG 4.48Å; C174-K177 WeakPolarHBondContact O-CB 3.46Å; C174-K177 PolarHBondContact O-N 3.17Å; G175-K177 PolarHBondContact O-N 3.13Å; K177-K180 WeakPolarHBondContact O-CB 3.48Å; K177-K180 PolarHBondContact O-N 3.12Å; K177-N181 VanDerWaalsContact O-CG 3.23Å; K177-N181 PolarHBondContact O-N 2.85Å; K177-N181 PolarHBondContact O-OD1 2.91Å
178I97.3Very high93.3Very high0 Ų037.6 Ų37.60%019%0.194CC..Hα-helixtrans-60.7-48.4172.6-66.3168000110.4L115 F116 L119 F165 P167 C174 G175 K180 N181 F182L115-I178 HydrophobicContact CD1-CG2 3.77Å; L115-I178 HydrophobicContact CD2-CG2 4.43Å; L115-I178 HydrophobicContact CG-CG2 3.92Å; F116-I178 HydrophobicContact CD1-CD1 4.11Å; F116-I178 HydrophobicContact CD1-CG1 4.01Å; F116-I178 HydrophobicContact CE1-CD1 3.81Å; F116-I178 HydrophobicContact CE1-CG1 4.1Å; L119-I178 HydrophobicContact CD1-CD1 4.22Å; L119-I178 HydrophobicContact CD1-CG1 3.73Å; F165-I178 HydrophobicContact CE2-CD1 3.64Å; F165-I178 HydrophobicContact CZ-CD1 3.74Å; P167-I178 HydrophobicContact CB-CB 4.33Å; P167-I178 HydrophobicContact CB-CD1 4.37Å; P167-I178 HydrophobicContact CB-CG2 4.29Å; C174-I178 PolarHBondContact O-N 2.94Å; C174-I178 VanDerWaalsContact O-N 3.14Å; G175-I178 WeakPolarHBondContact O-CB 3.14Å; G175-I178 PolarHBondContact O-N 2.84Å; G175-I178 VanDerWaalsContact O-N 3.14Å; I178-K180 VanDerWaalsContact C-N 3.32Å; I178-K180 PolarHBondContact O-N 3.16Å; I178-N181 PolarHBondContact O-N 3.14Å; I178-F182 PolarHBondContact O-N 3.15Å
179L96.9Very high93.5Very high0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-62.5-40.4176.9-66.9176.1000111.4R20 L24 L77 P167 G175 F182 L183R20-L179 HydrophobicContact CB-CD1 3.45Å; R20-L179 VanDerWaalsContact CB-CD1 3.45Å; R20-L179 HydrophobicContact CG-CD1 3.92Å; L24-L179 HydrophobicContact CD1-CB 4.04Å; L77-L179 HydrophobicContact CD2-CD2 3.94Å; P167-L179 HydrophobicContact CG-CD2 4.4Å; G175-L179 PolarHBondContact O-N 2.91Å; L179-F182 PolarHBondContact O-N 3.3Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.33Å; L179-L183 PolarHBondContact O-N 2.68Å
180K97.2Very high93.8Very high110 Ų11045.6 Ų45.648%0.47823%0.229SC..Hα-helixtrans-58.4-49.1173.3-170.7-177178.9175.30111.6L24 L176 K177 I178 F182 L183 F184L24-K180 HydrophobicContact CD1-CB 4.16Å; L24-K180 HydrophobicContact CD2-CB 4.28Å; L24-K180 HydrophobicContact CD2-CG 4.38Å; L176-K180 WeakPolarHBondContact O-CB 3.35Å; L176-K180 PolarHBondContact O-N 3.01Å; K177-K180 WeakPolarHBondContact O-CB 3.48Å; K177-K180 PolarHBondContact O-N 3.12Å; I178-K180 VanDerWaalsContact C-N 3.32Å; I178-K180 PolarHBondContact O-N 3.16Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.26Å; K180-L183 PolarHBondContact O-N 2.79Å; K180-F184 HydrophobicContact CB-CD2 4.29Å; K180-F184 HydrophobicContact CG-CD2 3.45Å; K180-F184 VanDerWaalsContact CG-CD2 3.45Å; K180-F184 HydrophobicContact CG-CE2 3.86Å; K180-F184 WeakPolarHBondContact O-CB 3.44Å; K180-F184 WeakPolarHBondContact O-CD2 3.19Å; K180-F184 PolarHBondContact O-N 3.43Å
181N97.8Very high94.1Very high9 Ų942.8 Ų42.85%0.04822%0.217CC..Iπ-helixtrans-59.9-42.5178.3-70.7-8.5000111.5P114 L115 E117 K177 I178 N185 I186P114-N181 WeakPolarHBondContact O-CB 3.31Å; L115-N181 WeakPolarHBondContact O-CB 3.29Å; L115-N181 PolarHBondContact O-ND2 2.96Å; E117-N181 PolarHBondContact N-ND2 2.75Å; E117-N181 PolarHBondContact O-ND2 3.21Å; K177-N181 VanDerWaalsContact O-CG 3.23Å; K177-N181 PolarHBondContact O-N 2.85Å; K177-N181 PolarHBondContact O-OD1 2.91Å; I178-N181 PolarHBondContact O-N 3.14Å; N181-N185 WeakPolarHBondContact O-CA 3.42Å; N181-N185 VanDerWaalsContact O-CB 3.29Å; N181-N185 WeakPolarHBondContact O-CB 3.28Å; N181-N185 PolarHBondContact O-N 2.58Å; N181-I186 PolarHBondContact O-N 3.15Å
182F98.2Very high94.3Very high0 Ų042.8 Ų42.80%022%0.218CC..Iπ-helixtrans-61.3-51.8174.8179.9-108.5000112.4A47 I49 P75 L77 L115 Y161 I178 L179 K180 I186 C187A47-F182 HydrophobicContact CB-CE1 4.16Å; A47-F182 HydrophobicContact CB-CZ 4.13Å; I49-F182 HydrophobicContact CD1-CD1 4.37Å; I49-F182 HydrophobicContact CD1-CE1 4.18Å; I49-F182 HydrophobicContact CG1-CD1 4.38Å; I49-F182 HydrophobicContact CG1-CE1 3.76Å; P75-F182 HydrophobicContact CB-CE2 3.98Å; P75-F182 HydrophobicContact CB-CZ 4.09Å; L77-F182 HydrophobicContact CB-CD1 4.03Å; L77-F182 HydrophobicContact CB-CD2 3.87Å; L77-F182 HydrophobicContact CB-CE1 3.79Å; L77-F182 HydrophobicContact CB-CE2 3.63Å; L77-F182 HydrophobicContact CB-CG 4.07Å; L77-F182 HydrophobicContact CB-CZ 3.58Å; L77-F182 HydrophobicContact CD2-CB 4.3Å; L77-F182 HydrophobicContact CD2-CD1 4.07Å; L77-F182 HydrophobicContact CD2-CG 4.04Å; L115-F182 HydrophobicContact CD1-CB 4.01Å; Y161-F182 HydrophobicContact CD2-CE2 4.49Å; I178-F182 PolarHBondContact O-N 3.15Å; L179-F182 PolarHBondContact O-N 3.3Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.26Å; F182-I186 HydrophobicContact CD2-CB 4.35Å; F182-I186 HydrophobicContact CD2-CD1 4.17Å; F182-I186 HydrophobicContact CD2-CG2 4.27Å; F182-I186 HydrophobicContact CE2-CG2 4.4Å; F182-I186 WeakPolarHBondContact O-CB 3.48Å; F182-C187 WeakPolarHBondContact O-CB 3.26Å; F182-C187 PolarHBondContact O-N 3.14Å; F182-C187 PolarHBondContact O-SG 3.05Å
183L97.5Very high94.1Very high0 Ų043.1 Ų43.10%022%0.219CC..Iπ-helixtrans-70.1-39.4-174.7-64.4175.1000113.2I4 V21 L24 V26 L179 K180 C187 L189I4-L183 HydrophobicContact CD1-CD2 3.69Å; I4-L183 HydrophobicContact CG2-CD2 4.36Å; V21-L183 HydrophobicContact CB-CD1 4.37Å; V21-L183 HydrophobicContact CG1-CD1 4.08Å; V21-L183 HydrophobicContact CG1-CD2 4.47Å; V21-L183 HydrophobicContact CG2-CD1 4.21Å; L24-L183 HydrophobicContact CB-CD1 4.18Å; L24-L183 HydrophobicContact CD1-CD1 3.76Å; V26-L183 HydrophobicContact CB-CD1 4.47Å; V26-L183 HydrophobicContact CG2-CD1 4.28Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.33Å; L179-L183 PolarHBondContact O-N 2.68Å; K180-L183 PolarHBondContact O-N 2.79Å; L183-C187 VanDerWaalsContact O-CB 3.31Å; L183-C187 WeakPolarHBondContact O-CB 3.22Å; L183-L189 HydrophobicContact CB-CD1 4.3Å; L183-L189 HydrophobicContact CD2-CD1 4.03Å; L183-L189 WeakPolarHBondContact O-CB 3.03Å; L183-L189 VanDerWaalsContact O-CG 3.25Å; L183-L189 WeakPolarHBondContact O-CG 3.34Å; L183-L189 PolarHBondContact O-N 2.85Å; L183-L189 VanDerWaalsContact O-N 3.14Å
184F97.3Very high93.8Very high45 Ų4543.8 Ų43.820%0.19721%0.213CC..Iπ-helixtrans-100.2-45.6-172.5-61.2-70.8000113L24 V26 K180 N188 L189L24-F184 HydrophobicContact CB-CE2 4.03Å; L24-F184 HydrophobicContact CB-CZ 4.25Å; L24-F184 HydrophobicContact CD2-CE2 4.32Å; L24-F184 VanDerWaalsContact O-CZ 3.29Å; L24-F184 WeakPolarHBondContact O-CZ 3.41Å; V26-F184 HydrophobicContact CG2-CE1 4.37Å; V26-F184 HydrophobicContact CG2-CZ 4.24Å; K180-F184 HydrophobicContact CB-CD2 4.29Å; K180-F184 HydrophobicContact CG-CD2 3.45Å; K180-F184 VanDerWaalsContact CG-CD2 3.45Å; K180-F184 HydrophobicContact CG-CE2 3.86Å; K180-F184 WeakPolarHBondContact O-CB 3.44Å; K180-F184 WeakPolarHBondContact O-CD2 3.19Å; K180-F184 PolarHBondContact O-N 3.43Å; F184-N188 WeakPolarHBondContact O-CA 3.49Å; F184-N188 PolarHBondContact O-N 3.41Å; F184-L189 VanDerWaalsContact CD1-O 3.25Å; F184-L189 WeakPolarHBondContact CD1-O 3.45Å
185N95.8Very high93.1Very high73 Ų7344.9 Ų44.939%0.3922%0.218SC..Iπ-helixtrans-83.6-42.2-174.9-56.64.9000110.8E117 N181E117-N185 PolarHBondContact OE2-ND2 3.5Å; N181-N185 WeakPolarHBondContact O-CA 3.42Å; N181-N185 VanDerWaalsContact O-CB 3.29Å; N181-N185 WeakPolarHBondContact O-CB 3.28Å; N181-N185 PolarHBondContact O-N 2.58Å
186I96.1Very high92.3Very high11 Ų1147.8 Ų47.86%0.05624%0.238CC..Iπ-helixtrans-83.8-50.6-179.5-64.2165.6000110.5P75 P114 L115 R159 Y161 N181 F182P75-I186 HydrophobicContact CB-CG2 4.17Å; P75-I186 HydrophobicContact CG-CG2 4.44Å; P114-I186 HydrophobicContact CB-CD1 4.12Å; P114-I186 HydrophobicContact CB-CG1 3.88Å; L115-I186 HydrophobicContact CB-CD1 4.28Å; L115-I186 HydrophobicContact CD1-CD1 4.17Å; R159-I186 PolarHBondContact NH2-O 3.33Å; Y161-I186 HydrophobicContact CD1-CD1 4.16Å; Y161-I186 HydrophobicContact CD2-CD1 3.93Å; Y161-I186 HydrophobicContact CD2-CG2 4.15Å; Y161-I186 HydrophobicContact CE1-CD1 3.92Å; Y161-I186 HydrophobicContact CE2-CB 4.49Å; Y161-I186 HydrophobicContact CE2-CD1 3.67Å; Y161-I186 HydrophobicContact CE2-CG1 4.16Å; Y161-I186 HydrophobicContact CE2-CG2 3.55Å; Y161-I186 HydrophobicContact CG-CD1 4.17Å; N181-I186 PolarHBondContact O-N 3.15Å; F182-I186 HydrophobicContact CD2-CB 4.35Å; F182-I186 HydrophobicContact CD2-CD1 4.17Å; F182-I186 HydrophobicContact CD2-CG2 4.27Å; F182-I186 HydrophobicContact CE2-CG2 4.4Å; F182-I186 WeakPolarHBondContact O-CB 3.48Å
187C96.1Very high91.8Very high11 Ų1149.2 Ų49.27%0.07425%0.246CC..THydrogen-bonded Turntrans-84.3-14.7-175.4-56.40000114A47 P75 F182 L183 L189A47-C187 HydrophobicContact CB-CB 4.23Å; A47-C187 WeakPolarHBondContact CB-SG 3.47Å; P75-C187 WeakPolarHBondContact CB-SG 3.4Å; P75-C187 HydrophobicContact CG-CB 4.47Å; F182-C187 WeakPolarHBondContact O-CB 3.26Å; F182-C187 PolarHBondContact O-N 3.14Å; F182-C187 PolarHBondContact O-SG 3.05Å; L183-C187 VanDerWaalsContact O-CB 3.31Å; L183-C187 WeakPolarHBondContact O-CB 3.22Å; C187-L189 VanDerWaalsContact C-N 3.28Å; C187-L189 HydrophobicContact CB-CD1 4.22Å; C187-L189 HydrophobicContact CB-CD2 4.34Å; C187-L189 HydrophobicContact CB-CG 3.84Å; C187-L189 PolarHBondContact O-N 2.95Å
188N94.9Very high91.3Very high117 Ų11745.5 Ų45.563%0.62623%0.229SC*.  trans57.136.2-177.6-63.2-63.8000113.9F184F184-N188 WeakPolarHBondContact O-CA 3.49Å; F184-N188 PolarHBondContact O-N 3.41Å
189L95.7Very high90.8Very high12 Ų1245.8 Ų45.86%0.06323%0.231CC..  trans-75.3156.5174.9-53.9179.2000110.7E2 I4 V26 K46 L183 F184 C187E2-L189 HydrophobicContact CB-CD2 4.22Å; E2-L189 WeakPolarHBondContact OE2-CA 3.36Å; I4-L189 HydrophobicContact CG2-CD1 3.66Å; V26-L189 HydrophobicContact CG1-CD1 3.67Å; V26-L189 HydrophobicContact CG2-CB 4.35Å; V26-L189 HydrophobicContact CG2-CD1 4.03Å; K46-L189 HydrophobicContact CB-CD2 3.68Å; K46-L189 HydrophobicContact CG-CD2 4.16Å; L183-L189 HydrophobicContact CB-CD1 4.3Å; L183-L189 HydrophobicContact CD2-CD1 4.03Å; L183-L189 WeakPolarHBondContact O-CB 3.03Å; L183-L189 VanDerWaalsContact O-CG 3.25Å; L183-L189 WeakPolarHBondContact O-CG 3.34Å; L183-L189 PolarHBondContact O-N 2.85Å; L183-L189 VanDerWaalsContact O-N 3.14Å; F184-L189 VanDerWaalsContact CD1-O 3.25Å; F184-L189 WeakPolarHBondContact CD1-O 3.45Å; C187-L189 VanDerWaalsContact C-N 3.28Å; C187-L189 HydrophobicContact CB-CD1 4.22Å; C187-L189 HydrophobicContact CB-CD2 4.34Å; C187-L189 HydrophobicContact CB-CG 3.84Å; C187-L189 PolarHBondContact O-N 2.95Å
190K91.7Very high90.4Very high160 Ų16050.6 Ų50.670%0.69625%0.254SS*.  trans-91.9-25.9-178.3-65.6177.3-172.6174.40113.8E2E2-K190 PolarHBondContact OE2-N 2.99Å
191G89.5Confident90Very high14 Ų1449.3 Ų49.314%0.14425%0.251CS..  trans7243.8-175.600000113S25S25-G191 WeakPolarHBondContact CB-O 3.41Å; S25-G191 CarbonylContact O-C 3.59Å; S25-G191 WeakPolarHBondContact O-CA 3.49Å
192D86Confident89.7Confident73 Ų7349.3 Ų49.339%0.3925%0.252SS..  trans-91.33-176.364.5-8.2000114.3S25 K194S25-D192 PolarHBondContact O-N 3.45Å; D192-K194 PolarHBondContact O-N 3.19Å
193Y84.6Confident89.5Confident10 Ų1049.4 Ų49.44%0.03925%0.253CS..  trans-84.277.5178.2-174.9-115000111.4M1 R22 S25 F27 R198 D457M1-Y193 HydrophobicContact CE-CD2 3.59Å; M1-Y193 HydrophobicContact CE-CE2 3.97Å; M1-Y193 HydrophobicContact SD-CD2 3.55Å; M1-Y193 VanDerWaalsContact SD-CD2 3.55Å; M1-Y193 HydrophobicContact SD-CE2 3.91Å; M1-Y193 HydrophobicContact SD-CG 4.5Å; R22-Y193 HydrophobicContact CG-CE1 4.28Å; R22-Y193 PolarHBondContact NH1-OH 2.85Å; S25-Y193 WeakPolarHBondContact CA-O 3.49Å; S25-Y193 WeakPolarHBondContact O-CA 3.17Å; S25-Y193 VanDerWaalsContact O-CB 3.26Å; S25-Y193 WeakPolarHBondContact O-CB 3.35Å; S25-Y193 PolarHBondContact O-N 2.96Å; F27-Y193 HydrophobicContact CB-CD1 4.25Å; F27-Y193 HydrophobicContact CB-CD2 4.06Å; F27-Y193 HydrophobicContact CB-CE2 4.4Å; F27-Y193 HydrophobicContact CB-CG 3.97Å; F27-Y193 HydrophobicContact CD2-CD2 4.07Å; F27-Y193 HydrophobicContact CD2-CE1 4.02Å; F27-Y193 AromaticContact CD2-CE2 3.54Å; F27-Y193 HydrophobicContact CD2-CE2 3.54Å; F27-Y193 AromaticContact CD2-CZ 3.5Å; F27-Y193 VanDerWaalsContact CD2-CZ 3.5Å; F27-Y193 HydrophobicContact CE2-CE2 4.31Å; F27-Y193 HydrophobicContact CG-CE2 4.41Å; Y193-R198 HydrophobicContact CD2-CG 4.34Å; Y193-R198 HydrophobicContact CE2-CG 3.65Å; Y193-R198 VanDerWaalsContact CZ-NE 3.31Å; Y193-R198 PolarHBondContact OH-NE 3.36Å; Y193-D457 VanDerWaalsContact OH-CG 3.25Å; Y193-D457 PolarHBondContact OH-OD1 3.29Å; Y193-D457 VanDerWaalsContact OH-OD1 3.12Å; Y193-D457 PolarHBondContact OH-OD2 3.04Å
194K81.7Confident89.3Confident119 Ų11952.4 Ų52.452%0.51727%0.274SS..  trans-87.7155.3-175-64.8-179.6-178.2176.50113.6D192 R198D192-K194 PolarHBondContact O-N 3.19Å; K194-R198 WeakPolarHBondContact O-CD 3.5Å; K194-R198 WeakPolarHBondContact O-CG 3.2Å
195M78.7Confident89Confident29 Ų2956 Ų5614%0.14329%0.289CS..Hα-helixtrans-62.7-44.7179.1-16956.663.700113.8D197 R198 V199 F458 E462 I466M195-D197 VanDerWaalsContact C-N 3.28Å; M195-D197 PolarHBondContact O-N 3.49Å; M195-R198 WeakPolarHBondContact O-CB 3.44Å; M195-R198 PolarHBondContact O-N 3.27Å; M195-V199 PolarHBondContact O-N 3.14Å; M195-V199 VanDerWaalsContact O-N 3.11Å; M195-F458 HydrophobicContact SD-CD1 3.93Å; M195-F458 HydrophobicContact SD-CE1 3.76Å; M195-E462 HydrophobicContact CE-CB 3.42Å; M195-E462 VanDerWaalsContact CE-CB 3.42Å; M195-E462 HydrophobicContact CE-CG 3.34Å; M195-E462 WeakPolarHBondContact CE-OE1 3.35Å; M195-E462 HydrophobicContact SD-CB 4.13Å; M195-I466 HydrophobicContact SD-CD1 4.48Å; M195-I466 HydrophobicContact SD-CG1 4.37Å
196S77.1Confident89Confident60 Ų6052.5 Ų52.542%0.4227%0.271SS..Hα-helixtrans-56.5-43.9-177.448.90000112.2R198 V199 E200S196-R198 VanDerWaalsContact C-N 3.27Å; S196-R198 PolarHBondContact O-N 3.15Å; S196-V199 PolarHBondContact O-N 3.31Å; S196-E200 PolarHBondContact O-N 3.29Å
197D81.6Confident89Confident94 Ų9458.2 Ų58.250%0.50329%0.292SS..Hα-helixtrans-70.7-31.8-174.3-53.3-14.5000110.2M195 L201M195-D197 VanDerWaalsContact C-N 3.28Å; M195-D197 PolarHBondContact O-N 3.49Å; D197-L201 VanDerWaalsContact O-CB 3.31Å; D197-L201 WeakPolarHBondContact O-CB 3.23Å; D197-L201 PolarHBondContact O-N 2.82Å
198R84.6Confident88.9Confident8 Ų865.7 Ų65.73%0.0333%0.325CS..Hα-helixtrans-70.6-36.9174.8-65.3162.366.5-166.7-3.3112.5Y193 K194 M195 S196 L201 C202 D457 F458 E462Y193-R198 HydrophobicContact CD2-CG 4.34Å; Y193-R198 HydrophobicContact CE2-CG 3.65Å; Y193-R198 VanDerWaalsContact CZ-NE 3.31Å; Y193-R198 PolarHBondContact OH-NE 3.36Å; K194-R198 WeakPolarHBondContact O-CD 3.5Å; K194-R198 WeakPolarHBondContact O-CG 3.2Å; M195-R198 WeakPolarHBondContact O-CB 3.44Å; M195-R198 PolarHBondContact O-N 3.27Å; S196-R198 VanDerWaalsContact C-N 3.27Å; S196-R198 PolarHBondContact O-N 3.15Å; R198-L201 PolarHBondContact O-N 3.25Å; R198-C202 VanDerWaalsContact O-CB 3.31Å; R198-C202 WeakPolarHBondContact O-CB 3.4Å; R198-C202 PolarHBondContact O-N 2.99Å; R198-D457 IonicContact NE-OD2 3.51Å; R198-D457 PolarHBondContact NE-OD2 3.43Å; R198-D457 PolarHBondContact NH2-O 3.02Å; R198-F458 HydrophobicContact CB-CE1 3.69Å; R198-F458 HydrophobicContact CB-CZ 3.79Å; R198-E462 IonicContact CZ-OE1 2.79Å; R198-E462 IonicContact CZ-OE2 2.84Å; R198-E462 IonicContact NH1-OE1 3.69Å; R198-E462 PolarHBondContact NH1-OE1 3.4Å; R198-E462 IonicContact NH1-OE2 3.54Å; R198-E462 IonicContact NH2-OE1 3.52Å; R198-E462 PolarHBondContact NH2-OE1 3.49Å; R198-E462 IonicContact NH2-OE2 3.64Å; R198-E462 PolarHBondContact NH2-OE2 3.42Å
199V87.6Confident88.8Confident6 Ų662.5 Ų62.54%0.03632%0.315CS..Hα-helixtrans-64.5-46.5175.3175.20000110.4M195 S196 L201 C202 I203 L231 I466M195-V199 PolarHBondContact O-N 3.14Å; M195-V199 VanDerWaalsContact O-N 3.11Å; S196-V199 PolarHBondContact O-N 3.31Å; V199-L201 VanDerWaalsContact C-N 3.34Å; V199-L201 PolarHBondContact O-N 3.3Å; V199-C202 WeakPolarHBondContact O-CB 3.36Å; V199-C202 PolarHBondContact O-N 2.99Å; V199-C202 VanDerWaalsContact O-N 3.17Å; V199-I203 HydrophobicContact CG1-CD1 4.14Å; V199-I203 WeakPolarHBondContact O-CG1 3.49Å; V199-I203 PolarHBondContact O-N 2.65Å; V199-L231 HydrophobicContact CG1-CD2 4.38Å; V199-I466 HydrophobicContact CG2-CD1 4.03Å; V199-I466 HydrophobicContact CG2-CG1 3.73Å; V199-I466 HydrophobicContact CG2-CG2 4.47Å
200E89Confident88.8Confident102 Ų10262 Ų6248%0.47731%0.312SS..Hα-helixtrans-65.2-37.3177-68.9-58.1152.300112.5S196 C202 I203 S204S196-E200 PolarHBondContact O-N 3.29Å; E200-C202 VanDerWaalsContact C-N 3.34Å; E200-I203 PolarHBondContact O-N 2.93Å; E200-S204 WeakPolarHBondContact O-CB 3.27Å; E200-S204 PolarHBondContact O-N 3.38Å; E200-S204 PolarHBondContact O-OG 3.08Å
201L87.9Confident88.8Confident82 Ų8255.9 Ų55.943%0.42930%0.295SS..Hα-helixtrans-62.3-42171.5-178.363.2000111.6D197 R198 V199 S204 K205D197-L201 VanDerWaalsContact O-CB 3.31Å; D197-L201 WeakPolarHBondContact O-CB 3.23Å; D197-L201 PolarHBondContact O-N 2.82Å; R198-L201 PolarHBondContact O-N 3.25Å; V199-L201 VanDerWaalsContact C-N 3.34Å; V199-L201 PolarHBondContact O-N 3.3Å; L201-S204 PolarHBondContact O-N 3.38Å; L201-K205 HydrophobicContact CG-CD 4.42Å; L201-K205 WeakPolarHBondContact O-CG 3.46Å; L201-K205 PolarHBondContact O-N 2.86Å
202C91.9Very high88.9Confident10 Ų1063.7 Ų63.77%0.06833%0.328CS..Hα-helixtrans-62.5-47.2176.4-178.50000111.3R198 V199 E200 S204 K205 I206 P454 F458R198-C202 VanDerWaalsContact O-CB 3.31Å; R198-C202 WeakPolarHBondContact O-CB 3.4Å; R198-C202 PolarHBondContact O-N 2.99Å; V199-C202 WeakPolarHBondContact O-CB 3.36Å; V199-C202 PolarHBondContact O-N 2.99Å; V199-C202 VanDerWaalsContact O-N 3.17Å; E200-C202 VanDerWaalsContact C-N 3.34Å; C202-S204 VanDerWaalsContact C-N 3.29Å; C202-S204 PolarHBondContact O-N 2.94Å; C202-K205 PolarHBondContact O-N 2.93Å; C202-I206 VanDerWaalsContact O-CG1 3.29Å; C202-I206 WeakPolarHBondContact O-CG1 3.45Å; C202-I206 PolarHBondContact O-N 2.64Å; C202-P454 PolarHBondContact SG-O 3.24Å; C202-F458 HydrophobicContact CB-CE2 4.22Å; C202-F458 HydrophobicContact CB-CZ 4.4Å
203I93.3Very high89.3Confident2 Ų262.8 Ų62.81%0.0132%0.323CS..Hα-helixtrans-55.7-46.3174.6-70.1171.7000110.5V199 E200 I206 R207 K234 T235V199-I203 HydrophobicContact CG1-CD1 4.14Å; V199-I203 WeakPolarHBondContact O-CG1 3.49Å; V199-I203 PolarHBondContact O-N 2.65Å; E200-I203 PolarHBondContact O-N 2.93Å; I203-I206 PolarHBondContact O-N 3.27Å; I203-R207 WeakPolarHBondContact O-CG 3.22Å; I203-R207 PolarHBondContact O-N 2.95Å; I203-K234 HydrophobicContact CD1-CD 4.19Å; I203-T235 HydrophobicContact CG2-CG2 3.91Å; I203-T235 WeakPolarHBondContact O-CG2 3.43Å
204S93.3Very high89.7Confident63 Ų6367.5 Ų67.544%0.44134%0.344SS..Hα-helixtrans-62.2-45.9179.4-58.10000111.9E200 L201 C202 I206 R207 E208E200-S204 WeakPolarHBondContact O-CB 3.27Å; E200-S204 PolarHBondContact O-N 3.38Å; E200-S204 PolarHBondContact O-OG 3.08Å; L201-S204 PolarHBondContact O-N 3.38Å; C202-S204 VanDerWaalsContact C-N 3.29Å; C202-S204 PolarHBondContact O-N 2.94Å; S204-I206 PolarHBondContact O-N 3.26Å; S204-R207 PolarHBondContact O-N 2.85Å; S204-E208 PolarHBondContact O-N 3.07Å
205K92.8Very high90.4Very high119 Ų11961.8 Ų61.852%0.51732%0.319SS..Hα-helixtrans-61.7-39.9176-75.1178.4176.2-176.50112.6L201 C202 E208 A209L201-K205 HydrophobicContact CG-CD 4.42Å; L201-K205 WeakPolarHBondContact O-CG 3.46Å; L201-K205 PolarHBondContact O-N 2.86Å; C202-K205 PolarHBondContact O-N 2.93Å; K205-E208 PolarHBondContact O-N 3.37Å; K205-A209 WeakPolarHBondContact O-CB 3.36Å; K205-A209 PolarHBondContact O-N 3.46Å
206I95Very high91.1Very high1 Ų160.5 Ų60.51%0.00531%0.313CS..Hα-helixtrans-63-46.3176.1-68.5164.7000110C202 I203 S204 E208 A209 V210 L231 L232 T235 L236 V452 P454C202-I206 VanDerWaalsContact O-CG1 3.29Å; C202-I206 WeakPolarHBondContact O-CG1 3.45Å; C202-I206 PolarHBondContact O-N 2.64Å; I203-I206 PolarHBondContact O-N 3.27Å; S204-I206 PolarHBondContact O-N 3.26Å; I206-E208 VanDerWaalsContact C-N 3.34Å; I206-E208 PolarHBondContact O-N 2.9Å; I206-A209 PolarHBondContact O-N 3.43Å; I206-V210 HydrophobicContact CG2-CG2 4.11Å; I206-V210 VanDerWaalsContact O-CB 3.27Å; I206-V210 WeakPolarHBondContact O-CB 3.35Å; I206-V210 VanDerWaalsContact O-CG2 3.25Å; I206-V210 WeakPolarHBondContact O-CG2 3.21Å; I206-V210 PolarHBondContact O-N 3.04Å; I206-L231 HydrophobicContact CD1-CB 4.33Å; I206-L232 HydrophobicContact CG2-CD2 3.88Å; I206-T235 HydrophobicContact CB-CG2 3.95Å; I206-T235 HydrophobicContact CG2-CG2 3.66Å; I206-L236 HydrophobicContact CG2-CD1 4.25Å; I206-L236 HydrophobicContact CG2-CD2 4.3Å; I206-L236 HydrophobicContact CG2-CG 4.27Å; I206-V452 HydrophobicContact CG1-CG1 4.18Å; I206-P454 HydrophobicContact CD1-CB 4.04Å; I206-P454 HydrophobicContact CD1-CG 4.1Å; I206-P454 HydrophobicContact CG1-CG 4.36Å
207R95.2Very high91.8Very high131 Ų13157.8 Ų57.849%0.49429%0.294SS..Hα-helixtrans-60.4-44.2178.4-70.2-175.3-179.3135.50.6112.2I203 S204 G211 T235I203-R207 WeakPolarHBondContact O-CG 3.22Å; I203-R207 PolarHBondContact O-N 2.95Å; S204-R207 PolarHBondContact O-N 2.85Å; R207-G211 WeakPolarHBondContact O-CA 3.47Å; R207-G211 PolarHBondContact O-N 2.84Å; R207-T235 HydrophobicContact CG-CG2 3.36Å; R207-T235 PolarHBondContact NE-O 2.86Å
208E94.8Very high92.3Very high167 Ų16755 Ų5578%0.7828%0.278SS*.Hα-helixtrans-65-48.4178.9-175.2-179.6-177.700111.6S204 K205 I206S204-E208 PolarHBondContact O-N 3.07Å; K205-E208 PolarHBondContact O-N 3.37Å; I206-E208 VanDerWaalsContact C-N 3.34Å; I206-E208 PolarHBondContact O-N 2.9Å
209A93.2Very high92.7Very high50 Ų5054.9 Ų54.941%0.41328%0.278SS..Hα-helixtrans-67.3-41.8-178.300000112.3K205 I206 M407 V452K205-A209 WeakPolarHBondContact O-CB 3.36Å; K205-A209 PolarHBondContact O-N 3.46Å; I206-A209 PolarHBondContact O-N 3.43Å; A209-M407 VanDerWaalsContact O-CE 3.31Å; A209-M407 WeakPolarHBondContact O-CE 3.38Å; A209-V452 HydrophobicContact CB-CG2 4.16Å
210V94.8Very high92.6Very high1 Ų158.3 Ų58.31%0.00630%0.303CS..Hα-helixtrans-80.1-44.3-176.2-179.20000112.2I206 Q212 N213 I215 L236 M407 V452I206-V210 HydrophobicContact CG2-CG2 4.11Å; I206-V210 VanDerWaalsContact O-CB 3.27Å; I206-V210 WeakPolarHBondContact O-CB 3.35Å; I206-V210 VanDerWaalsContact O-CG2 3.25Å; I206-V210 WeakPolarHBondContact O-CG2 3.21Å; I206-V210 PolarHBondContact O-N 3.04Å; V210-Q212 PolarHBondContact O-N 3.44Å; V210-N213 WeakPolarHBondContact CG1-O 3.25Å; V210-N213 VanDerWaalsContact O-CB 3.31Å; V210-N213 WeakPolarHBondContact O-CB 3.46Å; V210-N213 PolarHBondContact O-N 2.74Å; V210-N213 PolarHBondContact O-ND2 3.44Å; V210-I215 HydrophobicContact CG1-CB 4.49Å; V210-I215 HydrophobicContact CG2-CD1 3.78Å; V210-L236 HydrophobicContact CB-CD1 4.34Å; V210-L236 HydrophobicContact CB-CD2 4.13Å; V210-L236 HydrophobicContact CG1-CD1 3.94Å; V210-L236 HydrophobicContact CG1-CD2 4.1Å; V210-L236 HydrophobicContact CG2-CD1 4.23Å; V210-M407 VanDerWaalsContact CA-SD 3.55Å; V210-M407 HydrophobicContact CB-SD 4.32Å; V210-M407 HydrophobicContact CG2-SD 4.24Å; V210-V452 HydrophobicContact CG2-CG2 3.99Å
211G92.8Very high92.2Very high33 Ų3353.5 Ų53.534%0.3428%0.281SS..THydrogen-bonded Turntrans52.6-121.3-17300000111.5R207 Q240R207-G211 WeakPolarHBondContact O-CA 3.47Å; R207-G211 PolarHBondContact O-N 2.84Å; G211-Q240 PolarHBondContact O-NE2 2.89Å
212Q91.5Very high92.1Very high177 Ų17750.8 Ų50.883%0.82727%0.272SS*.THydrogen-bonded Turntrans-96.81.6-179.8-59.5-58.4-4200113.7V210V210-Q212 PolarHBondContact O-N 3.44Å
213N93.9Very high91.9Very high54 Ų5450.6 Ų50.629%0.28927%0.27SS..SBendtrans-68.6157.7179.7-67.3-54.3000111.1V210 Q240 S405 M407 R450V210-N213 WeakPolarHBondContact CG1-O 3.25Å; V210-N213 VanDerWaalsContact O-CB 3.31Å; V210-N213 WeakPolarHBondContact O-CB 3.46Å; V210-N213 PolarHBondContact O-N 2.74Å; V210-N213 PolarHBondContact O-ND2 3.44Å; N213-Q240 PolarHBondContact O-NE2 3.25Å; N213-S405 WeakPolarHBondContact CB-O 3.5Å; N213-M407 HydrophobicContact CB-CG 3.94Å; N213-M407 HydrophobicContact CB-SD 4.08Å; N213-R450 VanDerWaalsContact CG-NH2 3.25Å; N213-R450 PolarHBondContact ND2-NH2 3.01Å; N213-R450 PolarHBondContact OD1-NH2 3.36Å; N213-R450 VanDerWaalsContact OD1-NH2 3.13Å
214K94Very high91.8Very high109 Ų10952.2 Ų52.247%0.47428%0.279SS..EExtended strand (participates in β ladder)trans-78.5148.9165-64.9-169.9-175.8177.30108.9Q240 I242 S405 L406 M407K214-Q240 CarbonylContact C-O 3.51Å; K214-Q240 WeakPolarHBondContact CA-O 3.28Å; K214-I242 HydrophobicContact CB-CD1 4.21Å; K214-I242 HydrophobicContact CD-CD1 3.93Å; K214-S405 PolarHBondContact N-O 3.29Å; K214-L406 HydrophobicContact CB-CD1 4.16Å; K214-L406 CarbonylContact O-C 3.52Å; K214-M407 PolarHBondContact O-N 2.9Å
215I94.9Very high91.7Very high0 Ų049.7 Ų49.70%026%0.261CS..EExtended strand (participates in β ladder)trans-121.8126.8176.2-167.9162.3000110.8V210 L232 L236 Q240 I241 I242 M407 C409 V452V210-I215 HydrophobicContact CG1-CB 4.49Å; V210-I215 HydrophobicContact CG2-CD1 3.78Å; I215-L232 HydrophobicContact CD1-CD1 4.11Å; I215-L232 HydrophobicContact CD1-CD2 3.76Å; I215-L232 HydrophobicContact CG1-CD1 4.34Å; I215-L232 HydrophobicContact CG2-CD1 4.02Å; I215-L232 HydrophobicContact CG2-CD2 4.46Å; I215-L236 HydrophobicContact CG2-CD1 3.66Å; I215-Q240 PolarHBondContact N-O 2.61Å; I215-I241 HydrophobicContact CG2-CG1 4.21Å; I215-I242 PolarHBondContact O-N 2.72Å; I215-M407 CarbonylContact C-O 3.52Å; I215-M407 WeakPolarHBondContact CA-O 3.43Å; I215-M407 HydrophobicContact CG1-CB 4.33Å; I215-C409 HydrophobicContact CD1-CB 3.79Å; I215-C409 HydrophobicContact CG1-CB 3.94Å; I215-V452 HydrophobicContact CD1-CB 4.26Å; I215-V452 HydrophobicContact CD1-CG2 4.19Å
216L93.4Very high91.7Very high2 Ų244.2 Ų44.21%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-92.1136.1173.9175.368.7000110.2I242 V244 W396 L401 L406 M407 L408 C409L216-I242 CarbonylContact C-O 3.47Å; L216-I242 WeakPolarHBondContact CA-O 3.46Å; L216-I242 HydrophobicContact CD1-CB 4.24Å; L216-I242 HydrophobicContact CD1-CG2 3.96Å; L216-I242 WeakPolarHBondContact CD1-O 3.45Å; L216-V244 HydrophobicContact CD1-CG2 3.88Å; L216-W396 HydrophobicContact CD2-CZ2 4.2Å; L216-L401 HydrophobicContact CD1-CD1 4.37Å; L216-L406 HydrophobicContact CB-CD1 4.01Å; L216-L406 HydrophobicContact CB-CD2 4.17Å; L216-L406 HydrophobicContact CB-CG 4.22Å; L216-L406 HydrophobicContact CD2-CD2 4.2Å; L216-M407 PolarHBondContact N-O 2.74Å; L216-L408 HydrophobicContact CD2-CD1 4.12Å; L216-L408 HydrophobicContact CG-CD1 4.33Å; L216-C409 WeakPolarHBondContact O-CB 3.39Å; L216-C409 PolarHBondContact O-N 3.11Å
217I93.6Very high91.6Very high3 Ų344.1 Ų44.12%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-130.7128.9167.9-172.4169.6000110.8L219 S225 C228 A229 L232 I242 A243 V244 C409I217-L219 HydrophobicContact CD1-CD2 4.32Å; I217-L219 HydrophobicContact CG1-CD2 4.39Å; I217-L219 HydrophobicContact CG2-CD2 4.46Å; I217-S225 WeakPolarHBondContact CD1-O 3.31Å; I217-C228 HydrophobicContact CD1-CB 3.5Å; I217-A229 HydrophobicContact CD1-CB 4.12Å; I217-L232 HydrophobicContact CB-CD1 4.36Å; I217-L232 HydrophobicContact CD1-CD1 4.31Å; I217-L232 HydrophobicContact CG2-CD1 4.46Å; I217-I242 PolarHBondContact N-O 2.75Å; I217-A243 HydrophobicContact CG2-CB 3.81Å; I217-V244 PolarHBondContact O-N 3.28Å; I217-C409 HydrophobicContact CB-CB 4.03Å; I217-C409 HydrophobicContact CD1-CB 4.34Å; I217-C409 HydrophobicContact CG1-CB 4.2Å
218L92.1Very high91.6Very high34 Ų3437.9 Ų37.918%0.17821%0.214CC..EExtended strand (participates in β ladder)trans-89.2117.3170.1-63.3179000109.2V244 F388 W396L218-V244 WeakPolarHBondContact CA-O 3.31Å; L218-V244 HydrophobicContact CD2-CB 4.05Å; L218-V244 HydrophobicContact CD2-CG1 4.31Å; L218-F388 HydrophobicContact CD1-CE1 4.05Å; L218-F388 HydrophobicContact CD1-CZ 4.05Å; L218-W396 HydrophobicContact CD1-CZ2 4.28Å; L218-W396 HydrophobicContact CD2-CZ2 4.37Å
219L91.9Very high91.6Very high7 Ų730 Ų304%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-91.6115.7-178.3-62.5165.4000109.2I217 G221 A229 A243 V244 H245 L263 V270I217-L219 HydrophobicContact CD1-CD2 4.32Å; I217-L219 HydrophobicContact CG1-CD2 4.39Å; I217-L219 HydrophobicContact CG2-CD2 4.46Å; L219-G221 VanDerWaalsContact C-N 3.35Å; L219-A229 HydrophobicContact CD2-CB 3.87Å; L219-A243 HydrophobicContact CD1-CB 3.82Å; L219-V244 PolarHBondContact N-O 2.92Å; L219-H245 HydrophobicContact CB-CB 4.07Å; L219-H245 HydrophobicContact CD1-CB 4.38Å; L219-H245 PolarHBondContact O-ND1 3.36Å; L219-L263 HydrophobicContact CD1-CD1 3.28Å; L219-L263 HydrophobicContact CD2-CD1 3.83Å; L219-L263 HydrophobicContact CG-CD1 4.09Å; L219-V270 HydrophobicContact CD1-CB 4.41Å; L219-V270 HydrophobicContact CD1-CG1 3.68Å; L219-V270 HydrophobicContact CD1-CG2 3.85Å
220S85.1Confident91.6Very high78 Ų7827.8 Ų27.855%0.54516%0.159SC..  trans-83-16.8173.764.40000112.9G222 S225S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact OG-N 3.32Å; S220-S225 PolarHBondContact N-OG 3.35Å; S220-S225 PolarHBondContact OG-OG 2.93Å
221G80.5Confident91.6Very high1 Ų127.8 Ų27.81%0.0116%0.159CC..SBendtrans85.2-8.6-164.900000113.9L219 V259 R479L219-G221 VanDerWaalsContact C-N 3.35Å; G221-V259 VanDerWaalsContact CA-CG2 3.42Å; G221-R479 PolarHBondContact O-NH1 3.1Å
222G86Confident91.7Very high24 Ų2426.2 Ų26.225%0.24714%0.143CC..SBendtrans-68.3163.4172.200000113.3S220 D224 S225 T226S220-G222 VanDerWaalsContact C-N 3.26Å; S220-G222 PolarHBondContact OG-N 3.32Å; G222-D224 VanDerWaalsContact C-N 3.28Å; G222-D224 PolarHBondContact O-N 3.01Å; G222-S225 PolarHBondContact O-OG 3.46Å; G222-T226 WeakPolarHBondContact O-CB 3.4Å; G222-T226 PolarHBondContact O-N 3.42Å; G222-T226 PolarHBondContact O-OG1 3.05Å
223V88.8Confident91.8Very high6 Ų619.1 Ų19.14%0.03611%0.113CC..Hα-helixtrans-59.4-37.9177.666.30000111.9T226 V227 K460 R464V223-T226 PolarHBondContact O-N 2.97Å; V223-V227 HydrophobicContact CG2-CG2 4.05Å; V223-V227 WeakPolarHBondContact O-CB 3.48Å; V223-V227 VanDerWaalsContact O-CG2 3.27Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.15Å; V223-K460 HydrophobicContact CG1-CD 4.42Å; V223-R464 HydrophobicContact CG2-CG 4.37Å
224D90.5Very high91.7Very high36 Ų3621.9 Ų21.919%0.19312%0.122CC..Hα-helixtrans-66.5-51.9-174.3-50.8-33.5000111.9G222 T226 V227 C228 L413 L455 K460G222-D224 VanDerWaalsContact C-N 3.28Å; G222-D224 PolarHBondContact O-N 3.01Å; D224-T226 PolarHBondContact O-N 3.35Å; D224-V227 PolarHBondContact O-N 2.81Å; D224-C228 PolarHBondContact O-N 3.46Å; D224-C228 PolarHBondContact O-SG 3.14Å; D224-L413 HydrophobicContact CB-CD2 4.48Å; D224-L455 HydrophobicContact CB-CD1 4.02Å; D224-L455 WeakPolarHBondContact O-CD1 3.46Å; D224-K460 IonicContact OD1-NZ 3.42Å; D224-K460 PolarHBondContact OD1-NZ 3.46Å; D224-K460 IonicContact OD2-NZ 3.74Å; D224-K460 PolarHBondContact OD2-NZ 3.36Å
225S91.5Very high91.7Very high10 Ų1017.3 Ų17.37%0.0710%0.103CC..Hα-helixtrans-64.3-31.1176.654.80000112.2I217 S220 G222 A229I217-S225 WeakPolarHBondContact CD1-O 3.31Å; S220-S225 PolarHBondContact N-OG 3.35Å; S220-S225 PolarHBondContact OG-OG 2.93Å; G222-S225 PolarHBondContact O-OG 3.46Å; S225-A229 WeakPolarHBondContact O-CB 3.38Å; S225-A229 PolarHBondContact O-N 3.26Å
226T92.1Very high91.7Very high4 Ų418.1 Ų18.13%0.02511%0.108CC..Hα-helixtrans-73.2-40.8178.6-53.10000111.6G222 V223 D224 A229 A230 L263 L472 I476G222-T226 WeakPolarHBondContact O-CB 3.4Å; G222-T226 PolarHBondContact O-N 3.42Å; G222-T226 PolarHBondContact O-OG1 3.05Å; V223-T226 PolarHBondContact O-N 2.97Å; D224-T226 PolarHBondContact O-N 3.35Å; T226-A229 PolarHBondContact O-N 3.45Å; T226-A230 WeakPolarHBondContact O-CB 3.38Å; T226-A230 PolarHBondContact O-N 3.27Å; T226-L263 HydrophobicContact CG2-CD2 3.91Å; T226-L472 HydrophobicContact CG2-CD1 4.01Å; T226-L472 HydrophobicContact CG2-CD2 3.96Å; T226-I476 HydrophobicContact CG2-CD1 4.33Å; T226-I476 HydrophobicContact CG2-CG2 3.87Å
227V93.4Very high91.7Very high0 Ų022.1 Ų22.10%013%0.129CC..Hα-helixtrans-66.7-39.9173.8174.20000110.8V223 D224 A229 A230 L231 L455 V463 I466 L472V223-V227 HydrophobicContact CG2-CG2 4.05Å; V223-V227 WeakPolarHBondContact O-CB 3.48Å; V223-V227 VanDerWaalsContact O-CG2 3.27Å; V223-V227 WeakPolarHBondContact O-CG2 3.46Å; V223-V227 PolarHBondContact O-N 3.15Å; D224-V227 PolarHBondContact O-N 2.81Å; V227-A229 PolarHBondContact O-N 2.98Å; V227-A230 PolarHBondContact O-N 3.23Å; V227-L231 HydrophobicContact CG1-CD1 4.24Å; V227-L231 HydrophobicContact CG1-CG 4.46Å; V227-L231 WeakPolarHBondContact O-CG 3.11Å; V227-L231 PolarHBondContact O-N 2.89Å; V227-L455 HydrophobicContact CG1-CD2 4.08Å; V227-V463 HydrophobicContact CB-CG1 3.94Å; V227-V463 HydrophobicContact CG1-CG1 4.07Å; V227-V463 HydrophobicContact CG2-CG1 3.86Å; V227-I466 HydrophobicContact CG1-CB 4.21Å; V227-I466 HydrophobicContact CG1-CG2 3.76Å; V227-L472 HydrophobicContact CG2-CD1 3.66Å
228C94.9Very high91.6Very high0 Ų025.5 Ų25.50%015%0.151CC..Hα-helixtrans-56.7-49.7171.1-71.20000111.2I217 D224 A230 L231 L232 G411 L455I217-C228 HydrophobicContact CD1-CB 3.5Å; D224-C228 PolarHBondContact O-N 3.46Å; D224-C228 PolarHBondContact O-SG 3.14Å; C228-A230 VanDerWaalsContact C-N 3.3Å; C228-A230 PolarHBondContact O-N 3.43Å; C228-L231 PolarHBondContact O-N 3.48Å; C228-L232 VanDerWaalsContact O-CG 3.31Å; C228-L232 WeakPolarHBondContact O-CG 3.09Å; C228-L232 PolarHBondContact O-N 3.03Å; C228-G411 WeakPolarHBondContact SG-CA 3.4Å; C228-L455 WeakPolarHBondContact SG-CD1 3.49Å; C228-L455 VanDerWaalsContact SG-CG 3.52Å
229A94.3Very high91.5Very high0 Ų028.2 Ų28.20%017%0.173CC..Hα-helixtrans-58.5-42.8178.100000111.8I217 L219 S225 T226 V227 L232 S233 L263 I268I217-A229 HydrophobicContact CD1-CB 4.12Å; L219-A229 HydrophobicContact CD2-CB 3.87Å; S225-A229 WeakPolarHBondContact O-CB 3.38Å; S225-A229 PolarHBondContact O-N 3.26Å; T226-A229 PolarHBondContact O-N 3.45Å; V227-A229 PolarHBondContact O-N 2.98Å; A229-L232 PolarHBondContact O-N 3.34Å; A229-S233 PolarHBondContact O-N 3.2Å; A229-L263 HydrophobicContact CB-CD2 3.74Å; A229-I268 HydrophobicContact CB-CD1 3.76Å; A229-I268 WeakPolarHBondContact O-CD1 3.43Å
230A93.2Very high91.6Very high4 Ų429.1 Ų29.13%0.03318%0.177CC..Hα-helixtrans-63.8-42.7176.700000112.6T226 V227 C228 S233 K234 L266 L470 L472T226-A230 WeakPolarHBondContact O-CB 3.38Å; T226-A230 PolarHBondContact O-N 3.27Å; V227-A230 PolarHBondContact O-N 3.23Å; C228-A230 VanDerWaalsContact C-N 3.3Å; C228-A230 PolarHBondContact O-N 3.43Å; A230-S233 PolarHBondContact O-N 3.32Å; A230-K234 PolarHBondContact O-N 3.39Å; A230-L266 HydrophobicContact CB-CD1 3.83Å; A230-L470 HydrophobicContact CB-CB 4.21Å; A230-L470 HydrophobicContact CB-CD1 3.69Å; A230-L472 HydrophobicContact CB-CD1 4.45Å; A230-L472 HydrophobicContact CB-CD2 4.19Å; A230-L472 HydrophobicContact CB-CG 4.42Å
231L94.6Very high92Very high1 Ų126.1 Ų26.11%0.00516%0.155CC..Hα-helixtrans-61.2-44174.4-77.5170.9000111.2V199 I206 V227 C228 K234 T235 P454 L455 I466 L470V199-L231 HydrophobicContact CG1-CD2 4.38Å; I206-L231 HydrophobicContact CD1-CB 4.33Å; V227-L231 HydrophobicContact CG1-CD1 4.24Å; V227-L231 HydrophobicContact CG1-CG 4.46Å; V227-L231 WeakPolarHBondContact O-CG 3.11Å; V227-L231 PolarHBondContact O-N 2.89Å; C228-L231 PolarHBondContact O-N 3.48Å; L231-K234 PolarHBondContact O-N 2.94Å; L231-T235 VanDerWaalsContact O-CB 3.23Å; L231-T235 WeakPolarHBondContact O-CB 3.5Å; L231-T235 PolarHBondContact O-N 3.23Å; L231-T235 VanDerWaalsContact O-N 3.13Å; L231-T235 PolarHBondContact O-OG1 2.86Å; L231-P454 HydrophobicContact CD1-CB 4.03Å; L231-L455 HydrophobicContact CD1-CD2 3.8Å; L231-I466 HydrophobicContact CD1-CG2 4.48Å; L231-I466 HydrophobicContact CD2-CG2 4.11Å; L231-I466 HydrophobicContact CG-CG2 4.37Å; L231-L470 HydrophobicContact CD2-CD1 3.82Å; L231-L470 HydrophobicContact CG-CD1 3.82Å
232L95.3Very high92.7Very high0 Ų026.9 Ų26.90%016%0.158CC..Hα-helixtrans-61.9-46.9176.5-65.9-178.8000111.4I206 I215 I217 C228 A229 K234 T235 L236 I241 C409I206-L232 HydrophobicContact CG2-CD2 3.88Å; I215-L232 HydrophobicContact CD1-CD1 4.11Å; I215-L232 HydrophobicContact CD1-CD2 3.76Å; I215-L232 HydrophobicContact CG1-CD1 4.34Å; I215-L232 HydrophobicContact CG2-CD1 4.02Å; I215-L232 HydrophobicContact CG2-CD2 4.46Å; I217-L232 HydrophobicContact CB-CD1 4.36Å; I217-L232 HydrophobicContact CD1-CD1 4.31Å; I217-L232 HydrophobicContact CG2-CD1 4.46Å; C228-L232 VanDerWaalsContact O-CG 3.31Å; C228-L232 WeakPolarHBondContact O-CG 3.09Å; C228-L232 PolarHBondContact O-N 3.03Å; A229-L232 PolarHBondContact O-N 3.34Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 2.91Å; L232-T235 PolarHBondContact O-N 3.02Å; L232-L236 HydrophobicContact CD2-CD1 3.95Å; L232-L236 PolarHBondContact O-N 3.17Å; L232-I241 HydrophobicContact CB-CD1 3.91Å; L232-I241 HydrophobicContact CB-CG1 4.34Å; L232-C409 HydrophobicContact CD1-CB 3.89Å
233S93.7Very high93.1Very high28 Ų2825.7 Ų25.720%0.19615%0.146CC..Hα-helixtrans-61.4-36.9179.1-172.10000113A229 A230 T235 L266A229-S233 PolarHBondContact O-N 3.2Å; A230-S233 PolarHBondContact O-N 3.32Å; S233-T235 VanDerWaalsContact C-N 3.26Å; S233-T235 PolarHBondContact O-N 3.1Å; S233-L266 PolarHBondContact OG-O 3.47Å
234K92.3Very high93.4Very high112 Ų11225.6 Ų25.649%0.48715%0.146SC..Hα-helixtrans-70.4-23.7174.4-173.5173.8176.7-171.30112.9I203 A230 L231 L232 L470I203-K234 HydrophobicContact CD1-CD 4.19Å; A230-K234 PolarHBondContact O-N 3.39Å; L231-K234 PolarHBondContact O-N 2.94Å; L232-K234 VanDerWaalsContact C-N 3.3Å; L232-K234 PolarHBondContact O-N 2.91Å; K234-L470 HydrophobicContact CB-CD2 4.45Å; K234-L470 HydrophobicContact CD-CD2 3.42Å; K234-L470 VanDerWaalsContact CD-CD2 3.42Å
235T94.1Very high93.6Very high13 Ų1324 Ų248%0.0814%0.137CC..Hα-helixtrans-102.4-38-167-580000113.8I203 I206 R207 L231 L232 S233I203-T235 HydrophobicContact CG2-CG2 3.91Å; I203-T235 WeakPolarHBondContact O-CG2 3.43Å; I206-T235 HydrophobicContact CB-CG2 3.95Å; I206-T235 HydrophobicContact CG2-CG2 3.66Å; R207-T235 HydrophobicContact CG-CG2 3.36Å; R207-T235 PolarHBondContact NE-O 2.86Å; L231-T235 VanDerWaalsContact O-CB 3.23Å; L231-T235 WeakPolarHBondContact O-CB 3.5Å; L231-T235 PolarHBondContact O-N 3.23Å; L231-T235 VanDerWaalsContact O-N 3.13Å; L231-T235 PolarHBondContact O-OG1 2.86Å; L232-T235 PolarHBondContact O-N 3.02Å; S233-T235 VanDerWaalsContact C-N 3.26Å; S233-T235 PolarHBondContact O-N 3.1Å
236L95Very high93.7Very high18 Ų1824.1 Ų24.19%0.09414%0.137CC..SBendtrans-119.1164-168-56.7174.8000111.2I206 V210 I215 L232 I241I206-L236 HydrophobicContact CG2-CD1 4.25Å; I206-L236 HydrophobicContact CG2-CD2 4.3Å; I206-L236 HydrophobicContact CG2-CG 4.27Å; V210-L236 HydrophobicContact CB-CD1 4.34Å; V210-L236 HydrophobicContact CB-CD2 4.13Å; V210-L236 HydrophobicContact CG1-CD1 3.94Å; V210-L236 HydrophobicContact CG1-CD2 4.1Å; V210-L236 HydrophobicContact CG2-CD1 4.23Å; I215-L236 HydrophobicContact CG2-CD1 3.66Å; L232-L236 HydrophobicContact CD2-CD1 3.95Å; L232-L236 PolarHBondContact O-N 3.17Å; L236-I241 HydrophobicContact CB-CD1 4.47Å; L236-I241 HydrophobicContact CB-CG1 4.42Å
237D92.9Very high93.9Very high85 Ų8525.2 Ų25.246%0.45514%0.143SC..  trans-66.9137.8170.7-173.7-84.7000110.5S239 Q240D237-S239 PolarHBondContact O-N 3.45Å; D237-S239 WeakPolarHBondContact OD1-CA 3.46Å; D237-S239 WeakPolarHBondContact OD1-CB 3.38Å; D237-S239 PolarHBondContact OD1-N 3.48Å; D237-S239 PolarHBondContact OD1-OG 2.96Å; D237-Q240 HydrophobicContact CB-CG 4.32Å; D237-Q240 WeakPolarHBondContact O-CB 3.21Å; D237-Q240 PolarHBondContact O-N 2.86Å
238P90.9Very high93.9Very high74 Ų7425.9 Ų25.948%0.48115%0.146SC..G310 helixtrans-53.9-28.9178.4-28.835.9000114.6Q240 I241P238-Q240 VanDerWaalsContact C-N 3.28Å; P238-Q240 PolarHBondContact O-N 3.08Å; P238-I241 PolarHBondContact O-N 3.21Å
239S91.1Very high94Very high91 Ų9126.4 Ų26.464%0.63615%0.151SC*.G310 helixtrans-71.6-19.7177.4700000114D237 I241D237-S239 PolarHBondContact O-N 3.45Å; D237-S239 WeakPolarHBondContact OD1-CA 3.46Å; D237-S239 WeakPolarHBondContact OD1-CB 3.38Å; D237-S239 PolarHBondContact OD1-N 3.48Å; D237-S239 PolarHBondContact OD1-OG 2.96Å; S239-I241 VanDerWaalsContact C-N 3.34Å
240Q93.3Very high94Very high26 Ų2626.4 Ų26.412%0.12115%0.151CC..G310 helixtrans-78.5-20.9173.4-64.8-178.5-9300111.9G211 N213 K214 I215 D237 P238G211-Q240 PolarHBondContact O-NE2 2.89Å; N213-Q240 PolarHBondContact O-NE2 3.25Å; K214-Q240 CarbonylContact C-O 3.51Å; K214-Q240 WeakPolarHBondContact CA-O 3.28Å; I215-Q240 PolarHBondContact N-O 2.61Å; D237-Q240 HydrophobicContact CB-CG 4.32Å; D237-Q240 WeakPolarHBondContact O-CB 3.21Å; D237-Q240 PolarHBondContact O-N 2.86Å; P238-Q240 VanDerWaalsContact C-N 3.28Å; P238-Q240 PolarHBondContact O-N 3.08Å
241I94.8Very high94.1Very high15 Ų1526.9 Ų26.98%0.07715%0.153CC..EExtended strand (participates in β ladder)trans-93.7117.5-171-55.1171.4000110.2I215 L232 L236 P238 S239 A243 I268I215-I241 HydrophobicContact CG2-CG1 4.21Å; L232-I241 HydrophobicContact CB-CD1 3.91Å; L232-I241 HydrophobicContact CB-CG1 4.34Å; L236-I241 HydrophobicContact CB-CD1 4.47Å; L236-I241 HydrophobicContact CB-CG1 4.42Å; P238-I241 PolarHBondContact O-N 3.21Å; S239-I241 VanDerWaalsContact C-N 3.34Å; I241-A243 HydrophobicContact CG2-CB 4.49Å; I241-I268 HydrophobicContact CG2-CG2 4.3Å
242I94Very high94.1Very high17 Ų1728.1 Ų28.19%0.08716%0.158CC..EExtended strand (participates in β ladder)trans-106.3100.5173-50-178.2000107.5K214 I215 L216 I217 V244 L399 L401 L406K214-I242 HydrophobicContact CB-CD1 4.21Å; K214-I242 HydrophobicContact CD-CD1 3.93Å; I215-I242 PolarHBondContact O-N 2.72Å; L216-I242 CarbonylContact C-O 3.47Å; L216-I242 WeakPolarHBondContact CA-O 3.46Å; L216-I242 HydrophobicContact CD1-CB 4.24Å; L216-I242 HydrophobicContact CD1-CG2 3.96Å; L216-I242 WeakPolarHBondContact CD1-O 3.45Å; I217-I242 PolarHBondContact N-O 2.75Å; I242-V244 HydrophobicContact CG2-CG2 4.33Å; I242-L399 HydrophobicContact CG2-CD1 4.2Å; I242-L401 HydrophobicContact CD1-CD2 3.37Å; I242-L406 HydrophobicContact CD1-CD1 3.95Å
243A94.8Very high94.1Very high0 Ų030.8 Ų30.80%017%0.17CC..EExtended strand (participates in β ladder)trans-102.3120.6-179.400000110.3I217 L219 I241 I268 V270 H271I217-A243 HydrophobicContact CG2-CB 3.81Å; L219-A243 HydrophobicContact CD1-CB 3.82Å; I241-A243 HydrophobicContact CG2-CB 4.49Å; A243-I268 HydrophobicContact CB-CG2 3.69Å; A243-V270 HydrophobicContact CB-CG2 4.33Å; A243-H271 PolarHBondContact O-N 3.39Å
244V94.5Very high94.1Very high4 Ų433.5 Ų33.52%0.02418%0.182CC..EExtended strand (participates in β ladder)trans-118.3128.7-178.9178.90000109.3L216 I217 L218 L219 I242 I246 H271 I273 V395 L399L216-V244 HydrophobicContact CD1-CG2 3.88Å; I217-V244 PolarHBondContact O-N 3.28Å; L218-V244 WeakPolarHBondContact CA-O 3.31Å; L218-V244 HydrophobicContact CD2-CB 4.05Å; L218-V244 HydrophobicContact CD2-CG1 4.31Å; L219-V244 PolarHBondContact N-O 2.92Å; I242-V244 HydrophobicContact CG2-CG2 4.33Å; V244-I246 HydrophobicContact CG1-CG1 4.11Å; V244-H271 WeakPolarHBondContact CA-O 3.38Å; V244-H271 HydrophobicContact CG2-CB 4.23Å; V244-I273 HydrophobicContact CG1-CG1 4.07Å; V244-V395 HydrophobicContact CG1-CG1 3.94Å; V244-V395 HydrophobicContact CG2-CG1 4.3Å; V244-L399 HydrophobicContact CG2-CD1 3.98Å
245H95.2Very high94.1Very high2 Ų228.7 Ų28.71%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-118.2121.1172.8-178.153.6000109.3L219 V270 H271 L272 I273L219-H245 HydrophobicContact CB-CB 4.07Å; L219-H245 HydrophobicContact CD1-CB 4.38Å; L219-H245 PolarHBondContact O-ND1 3.36Å; H245-V270 HydrophobicContact CB-CG1 3.75Å; H245-H271 PolarHBondContact N-O 2.99Å; H245-L272 WeakPolarHBondContact O-CA 3.31Å; H245-I273 PolarHBondContact O-N 3.42Å
246I94.5Very high94.1Very high12 Ų1228.4 Ų28.46%0.06216%0.16CC..EExtended strand (participates in β ladder)trans-103.5113.3179.8-61.4166.6000108.4V244 N248 I273 A275 F279 F388 V391 A392V244-I246 HydrophobicContact CG1-CG1 4.11Å; I246-N248 PolarHBondContact O-N 3.4Å; I246-I273 HydrophobicContact CG1-CB 4.18Å; I246-I273 HydrophobicContact CG1-CG1 4.47Å; I246-A275 HydrophobicContact CG2-CB 4.09Å; I246-F279 HydrophobicContact CG2-CE2 4.01Å; I246-F279 HydrophobicContact CG2-CZ 4.38Å; I246-F388 HydrophobicContact CB-CE2 4.1Å; I246-F388 HydrophobicContact CD1-CD2 4.26Å; I246-F388 HydrophobicContact CD1-CE2 3.73Å; I246-F388 HydrophobicContact CD1-CZ 4.01Å; I246-F388 HydrophobicContact CG1-CE2 4.46Å; I246-F388 HydrophobicContact CG2-CD2 4.45Å; I246-F388 HydrophobicContact CG2-CE2 4.46Å; I246-V391 HydrophobicContact CD1-CG1 4.16Å; I246-V391 HydrophobicContact CG1-CG1 4.4Å; I246-V391 HydrophobicContact CG2-CG1 3.82Å; I246-A392 HydrophobicContact CD1-CB 3.4Å; I246-A392 VanDerWaalsContact CD1-CB 3.4Å
247D95.4Very high93.9Very high28 Ų2832.6 Ų32.615%0.1518%0.182CC..EExtended strand (participates in β ladder)trans-81.3106.3170.6-168.2-27000109G249 S256 L272 I273 A275 G276D247-G249 PolarHBondContact O-N 3.19Å; D247-G249 PolarHBondContact OD1-N 3.36Å; D247-S256 WeakPolarHBondContact OD2-CB 3.48Å; D247-S256 PolarHBondContact OD2-OG 3.23Å; D247-L272 HydrophobicContact CB-CD1 4.19Å; D247-I273 PolarHBondContact N-O 2.93Å; D247-A275 CarbonylContact O-C 3.46Å; D247-A275 WeakPolarHBondContact O-CA 3.45Å; D247-A275 PolarHBondContact O-N 3.38Å; D247-G276 PolarHBondContact O-N 2.84Å
248N94.4Very high93.8Very high13 Ų1333.5 Ų33.57%0.0718%0.179CC..  trans-80.6-1.1-179.366.912.3000113.7I246 F250 F279I246-N248 PolarHBondContact O-N 3.4Å; N248-F250 VanDerWaalsContact C-N 3.27Å; N248-F250 WeakPolarHBondContact O-CD2 3.39Å; N248-F250 PolarHBondContact O-N 3.32Å; N248-F250 WeakPolarHBondContact OD1-CA 3.43Å; N248-F250 PolarHBondContact OD1-N 2.82Å; N248-F279 HydrophobicContact CB-CD1 3.85Å; N248-F279 HydrophobicContact CB-CD2 3.75Å; N248-F279 HydrophobicContact CB-CE1 3.76Å; N248-F279 HydrophobicContact CB-CE2 3.67Å; N248-F279 HydrophobicContact CB-CG 3.84Å; N248-F279 HydrophobicContact CB-CZ 3.67Å; N248-F279 VanDerWaalsContact O-CB 3.27Å; N248-F279 WeakPolarHBondContact O-CB 3.27Å
249G95Very high93.6Very high11 Ų1130.1 Ų30.111%0.11316%0.157CC..SBendtrans7510.8-177.600000114.7D247 R633D247-G249 PolarHBondContact O-N 3.19Å; D247-G249 PolarHBondContact OD1-N 3.36Å; G249-R633 PolarHBondContact O-NH2 3.44Å
250F95.9Very high93.6Very high0 Ų027.7 Ų27.70%014%0.136CC..  trans-124.515.5173.4-55.4-67.6000112.9N248 F279 L280 L370 I384 L487 A488 L624 I629N248-F250 VanDerWaalsContact C-N 3.27Å; N248-F250 WeakPolarHBondContact O-CD2 3.39Å; N248-F250 PolarHBondContact O-N 3.32Å; N248-F250 WeakPolarHBondContact OD1-CA 3.43Å; N248-F250 PolarHBondContact OD1-N 2.82Å; F250-F279 HydrophobicContact CE2-CB 3.95Å; F250-L280 HydrophobicContact CE1-CD2 4.02Å; F250-L280 HydrophobicContact CZ-CD2 3.88Å; F250-L280 HydrophobicContact CZ-CG 4.41Å; F250-L370 HydrophobicContact CE2-CD2 3.48Å; F250-L370 VanDerWaalsContact CE2-CD2 3.48Å; F250-L370 HydrophobicContact CZ-CD2 3.45Å; F250-L370 VanDerWaalsContact CZ-CD2 3.45Å; F250-L370 HydrophobicContact CZ-CG 4.31Å; F250-I384 HydrophobicContact CD2-CD1 4.19Å; F250-I384 HydrophobicContact CE2-CD1 4.15Å; F250-I384 HydrophobicContact CE2-CG1 4.3Å; F250-L487 WeakPolarHBondContact O-CB 3.43Å; F250-L487 WeakPolarHBondContact O-CG 3.5Å; F250-L487 PolarHBondContact O-N 2.83Å; F250-A488 HydrophobicContact CB-CB 4.4Å; F250-A488 HydrophobicContact CD1-CB 3.9Å; F250-A488 HydrophobicContact CD2-CB 4.16Å; F250-A488 HydrophobicContact CE1-CB 4.17Å; F250-A488 HydrophobicContact CE2-CB 4.41Å; F250-A488 HydrophobicContact CG-CB 3.9Å; F250-A488 HydrophobicContact CZ-CB 4.42Å; F250-L624 HydrophobicContact CE1-CB 4.37Å; F250-L624 HydrophobicContact CE1-CD1 4.24Å; F250-L624 HydrophobicContact CZ-CD1 4.34Å; F250-I629 HydrophobicContact CD1-CD1 4.04Å; F250-I629 HydrophobicContact CD1-CG1 4.4Å; F250-I629 HydrophobicContact CD1-CG2 4.5Å; F250-I629 HydrophobicContact CE1-CD1 3.57Å; F250-I629 HydrophobicContact CE1-CG1 4.27Å
251L94.7Very high93.5Very high14 Ų1433.2 Ų33.27%0.07316%0.162CC..SBendtrans-76.4162.9173.4-56.4-179.1000111.7E255 S256 F482 R633L251-E255 HydrophobicContact CB-CB 3.95Å; L251-E255 HydrophobicContact CB-CG 4.25Å; L251-S256 WeakPolarHBondContact CD1-OG 3.23Å; L251-F482 HydrophobicContact CD2-CE1 4.2Å; L251-R633 PolarHBondContact O-NE 2.69Å
252R94.8Very high93Very high28 Ų2833.4 Ų33.411%0.10617%0.165CC..PPolyproline II helixtrans-60162.1173.8-59.5-178.3-170.9158.52.9110.8N254 E255 H480 P481 F482 D636R252-N254 PolarHBondContact O-N 2.86Å; R252-E255 HydrophobicContact CB-CB 4.17Å; R252-E255 WeakPolarHBondContact O-CB 3.44Å; R252-E255 PolarHBondContact O-N 2.66Å; R252-E255 VanDerWaalsContact O-N 3.1Å; R252-H480 PolarHBondContact NH2-O 2.97Å; R252-P481 PolarHBondContact NH2-O 3.19Å; R252-F482 HydrophobicContact CG-CD2 4.25Å; R252-F482 HydrophobicContact CG-CE1 4.43Å; R252-F482 HydrophobicContact CG-CE2 3.73Å; R252-F482 HydrophobicContact CG-CZ 3.83Å; R252-F482 VanDerWaalsContact NE-CD2 3.31Å; R252-D636 WeakPolarHBondContact CD-OD2 3.29Å
253K95.4Very high92.7Very high55 Ų5532.6 Ų32.624%0.23916%0.16CC..THydrogen-bonded Turntrans-56.4127.4-179.6-168.4175.5170.7-168.80110.9E255 R633 E634 D637K253-E255 PolarHBondContact O-N 2.84Å; K253-R633 HydrophobicContact CB-CB 4.3Å; K253-E634 VanDerWaalsContact CE-OE2 3.28Å; K253-E634 WeakPolarHBondContact CE-OE2 3.44Å; K253-E634 VanDerWaalsContact NZ-CD 3.29Å; K253-E634 IonicContact NZ-OE1 3.75Å; K253-E634 PolarHBondContact NZ-OE1 2.86Å; K253-E634 IonicContact NZ-OE2 3.2Å; K253-E634 PolarHBondContact NZ-OE2 3.48Å; K253-D637 HydrophobicContact CB-CB 3.87Å; K253-D637 HydrophobicContact CD-CB 3.84Å; K253-D637 HydrophobicContact CG-CB 4.48Å; K253-D637 IonicContact NZ-OD2 2.93Å
254N93.7Very high92.3Very high86 Ų8640.1 Ų40.146%0.4619%0.193SC..THydrogen-bonded Turntrans56.617.4-179.1-57.2-38.5000115.2R252 S256 L257 R258R252-N254 PolarHBondContact O-N 2.86Å; N254-S256 PolarHBondContact O-N 3.1Å; N254-L257 HydrophobicContact CB-CD1 4.43Å; N254-L257 PolarHBondContact O-N 2.99Å; N254-R258 WeakPolarHBondContact O-CG 3.35Å; N254-R258 PolarHBondContact O-N 2.91Å; N254-R258 VanDerWaalsContact O-N 3.12Å
255E91.7Very high91.9Very high11 Ų1144.2 Ų44.25%0.05122%0.222CC..Hα-helixtrans-59.6-50.4-175.2-175.272.7175.600111.8L251 R252 K253 L257 R258 V259 R479L251-E255 HydrophobicContact CB-CB 3.95Å; L251-E255 HydrophobicContact CB-CG 4.25Å; R252-E255 HydrophobicContact CB-CB 4.17Å; R252-E255 WeakPolarHBondContact O-CB 3.44Å; R252-E255 PolarHBondContact O-N 2.66Å; R252-E255 VanDerWaalsContact O-N 3.1Å; K253-E255 PolarHBondContact O-N 2.84Å; E255-L257 VanDerWaalsContact C-N 3.27Å; E255-L257 PolarHBondContact O-N 3.18Å; E255-R258 PolarHBondContact O-N 3.15Å; E255-R258 VanDerWaalsContact O-N 3.13Å; E255-V259 WeakPolarHBondContact O-CG2 3.44Å; E255-V259 PolarHBondContact O-N 3.49Å; E255-R479 IonicContact OE1-CZ 3.69Å; E255-R479 IonicContact OE1-NE 3.91Å; E255-R479 IonicContact OE1-NH1 3.3Å; E255-R479 PolarHBondContact OE1-NH1 3.26Å; E255-R479 IonicContact OE2-NH1 3.06Å
256S93.4Very high91.3Very high6 Ų645.9 Ų45.94%0.04223%0.231CC..Hα-helixtrans-58.3-40.2-179-44.60000111.9D247 L251 N254 V259 I260D247-S256 WeakPolarHBondContact OD2-CB 3.48Å; D247-S256 PolarHBondContact OD2-OG 3.23Å; L251-S256 WeakPolarHBondContact CD1-OG 3.23Å; N254-S256 PolarHBondContact O-N 3.1Å; S256-V259 PolarHBondContact O-N 2.9Å; S256-I260 WeakPolarHBondContact O-CD1 3.48Å; S256-I260 VanDerWaalsContact O-CG1 3.24Å; S256-I260 WeakPolarHBondContact O-CG1 3.32Å; S256-I260 PolarHBondContact O-N 3.16Å
257L92.6Very high90.9Very high107 Ų10747.8 Ų47.856%0.5625%0.253SS*.Hα-helixtrans-63.8-47.2177-64.1175.5000111.3N254 E255 V259 I260 E261N254-L257 HydrophobicContact CB-CD1 4.43Å; N254-L257 PolarHBondContact O-N 2.99Å; E255-L257 VanDerWaalsContact C-N 3.27Å; E255-L257 PolarHBondContact O-N 3.18Å; L257-V259 VanDerWaalsContact C-N 3.32Å; L257-V259 PolarHBondContact O-N 3.4Å; L257-I260 PolarHBondContact O-N 3.45Å; L257-E261 WeakPolarHBondContact O-CB 3.34Å; L257-E261 PolarHBondContact O-N 2.83Å
258R89.4Confident90.5Very high103 Ų10346.8 Ų46.839%0.38925%0.248SC..Hα-helixtrans-61.8-39.6178.2-68.6173.7180162.42.4111.8N254 E255 S262 D637N254-R258 WeakPolarHBondContact O-CG 3.35Å; N254-R258 PolarHBondContact O-N 2.91Å; N254-R258 VanDerWaalsContact O-N 3.12Å; E255-R258 PolarHBondContact O-N 3.15Å; E255-R258 VanDerWaalsContact O-N 3.13Å; R258-S262 WeakPolarHBondContact O-CB 3.25Å; R258-S262 PolarHBondContact O-N 2.97Å; R258-S262 VanDerWaalsContact O-N 3.14Å; R258-S262 PolarHBondContact O-OG 3.18Å; R258-D637 IonicContact NH1-OD1 3.84Å; R258-D637 IonicContact NH2-OD1 3.58Å; R258-D637 PolarHBondContact NH2-OD1 3.14Å
259V87.4Confident90.3Very high3 Ų354 Ų542%0.01828%0.278CS..Hα-helixtrans-63.9-47.1177.1171.40000110.9G221 E255 S256 L257 S262 L263G221-V259 VanDerWaalsContact CA-CG2 3.42Å; E255-V259 WeakPolarHBondContact O-CG2 3.44Å; E255-V259 PolarHBondContact O-N 3.49Å; S256-V259 PolarHBondContact O-N 2.9Å; L257-V259 VanDerWaalsContact C-N 3.32Å; L257-V259 PolarHBondContact O-N 3.4Å; V259-S262 PolarHBondContact O-N 2.86Å; V259-L263 HydrophobicContact CG1-CD1 3.9Å; V259-L263 WeakPolarHBondContact O-CG 3.38Å; V259-L263 PolarHBondContact O-N 2.86Å; V259-L263 VanDerWaalsContact O-N 3.11Å
260I91.8Very high90.2Very high40 Ų4054.6 Ų54.621%0.20528%0.28CS..Hα-helixtrans-63.5-47179.5-68.4162.5000111.2S256 L257 S262 L263 K264 V270 L272S256-I260 WeakPolarHBondContact O-CD1 3.48Å; S256-I260 VanDerWaalsContact O-CG1 3.24Å; S256-I260 WeakPolarHBondContact O-CG1 3.32Å; S256-I260 PolarHBondContact O-N 3.16Å; L257-I260 PolarHBondContact O-N 3.45Å; I260-S262 VanDerWaalsContact C-N 3.25Å; I260-S262 PolarHBondContact O-N 2.93Å; I260-L263 PolarHBondContact O-N 2.99Å; I260-K264 VanDerWaalsContact O-CB 3.25Å; I260-K264 WeakPolarHBondContact O-CB 3.28Å; I260-K264 PolarHBondContact O-N 2.69Å; I260-V270 HydrophobicContact CG1-CG1 4.31Å; I260-L272 HydrophobicContact CD1-CB 3.71Å; I260-L272 HydrophobicContact CD1-CD1 4.03Å; I260-L272 HydrophobicContact CD1-CD2 3.58Å; I260-L272 HydrophobicContact CD1-CG 3.94Å
261E89.9Confident90.1Very high142 Ų14257.6 Ų57.666%0.66429%0.294SS*.Hα-helixtrans-57.5-42.6179.4-175.8173.9-161.200111.5L257 L263 K264 S265L257-E261 WeakPolarHBondContact O-CB 3.34Å; L257-E261 PolarHBondContact O-N 2.83Å; E261-L263 PolarHBondContact O-N 3.37Å; E261-K264 PolarHBondContact O-N 2.98Å; E261-S265 PolarHBondContact O-N 2.92Å
262S85.1Confident90.2Very high19 Ų1960.5 Ų60.513%0.13331%0.309CS..Hα-helixtrans-69-30.9179.9-59.20000114.4R258 V259 I260 S265 I476R258-S262 WeakPolarHBondContact O-CB 3.25Å; R258-S262 PolarHBondContact O-N 2.97Å; R258-S262 VanDerWaalsContact O-N 3.14Å; R258-S262 PolarHBondContact O-OG 3.18Å; V259-S262 PolarHBondContact O-N 2.86Å; I260-S262 VanDerWaalsContact C-N 3.25Å; I260-S262 PolarHBondContact O-N 2.93Å; S262-S265 PolarHBondContact O-OG 3.13Å; S262-I476 WeakPolarHBondContact OG-CD1 3.35Å
263L86.3Confident90.2Very high0 Ų060.8 Ų60.80%031%0.313CS..Hα-helixtrans-86.1-30.2177.9-69.5171000111.6L219 T226 A229 V259 I260 E261 S265 L266 I268 V270L219-L263 HydrophobicContact CD1-CD1 3.28Å; L219-L263 HydrophobicContact CD2-CD1 3.83Å; L219-L263 HydrophobicContact CG-CD1 4.09Å; T226-L263 HydrophobicContact CG2-CD2 3.91Å; A229-L263 HydrophobicContact CB-CD2 3.74Å; V259-L263 HydrophobicContact CG1-CD1 3.9Å; V259-L263 WeakPolarHBondContact O-CG 3.38Å; V259-L263 PolarHBondContact O-N 2.86Å; V259-L263 VanDerWaalsContact O-N 3.11Å; I260-L263 PolarHBondContact O-N 2.99Å; E261-L263 PolarHBondContact O-N 3.37Å; L263-S265 VanDerWaalsContact C-N 3.29Å; L263-S265 PolarHBondContact O-N 2.95Å; L263-L266 HydrophobicContact CD2-CD1 4.17Å; L263-L266 WeakPolarHBondContact O-CB 3.32Å; L263-L266 PolarHBondContact O-N 2.68Å; L263-L266 VanDerWaalsContact O-N 3.09Å; L263-I268 HydrophobicContact CD2-CD1 4.21Å; L263-I268 PolarHBondContact O-N 3.07Å; L263-V270 HydrophobicContact CB-CG2 3.69Å; L263-V270 HydrophobicContact CD1-CG2 3.72Å; L263-V270 HydrophobicContact CG-CG2 4.38Å
264K87.9Confident90.3Very high159 Ų15964.3 Ų64.369%0.69133%0.334SS*.Hα-helixtrans-62.9-36.4173.2-170.4178.9-178.5-177.10111.4I260 E261 L266 G267I260-K264 VanDerWaalsContact O-CB 3.25Å; I260-K264 WeakPolarHBondContact O-CB 3.28Å; I260-K264 PolarHBondContact O-N 2.69Å; E261-K264 PolarHBondContact O-N 2.98Å; K264-L266 PolarHBondContact O-N 3.18Å; K264-G267 PolarHBondContact O-N 3.22Å
265S84.4Confident90.4Very high89 Ų8960.3 Ų60.362%0.62231%0.313SS*.THydrogen-bonded Turntrans-65.4-20.1174.566.80000113.5E261 S262 L263 G267E261-S265 PolarHBondContact O-N 2.92Å; S262-S265 PolarHBondContact O-OG 3.13Å; L263-S265 VanDerWaalsContact C-N 3.29Å; L263-S265 PolarHBondContact O-N 2.95Å; S265-G267 VanDerWaalsContact C-N 3.33Å
266L84.1Confident90.6Very high37 Ų3760.2 Ų60.219%0.19431%0.314CS..THydrogen-bonded Turntrans-907173.3-56.8173.3000113.3A230 S233 L263 K264 I268 L472A230-L266 HydrophobicContact CB-CD1 3.83Å; S233-L266 PolarHBondContact OG-O 3.47Å; L263-L266 HydrophobicContact CD2-CD1 4.17Å; L263-L266 WeakPolarHBondContact O-CB 3.32Å; L263-L266 PolarHBondContact O-N 2.68Å; L263-L266 VanDerWaalsContact O-N 3.09Å; K264-L266 PolarHBondContact O-N 3.18Å; L266-I268 VanDerWaalsContact C-N 3.26Å; L266-I268 HydrophobicContact CB-CD1 4.19Å; L266-I268 HydrophobicContact CB-CG1 4.17Å; L266-I268 HydrophobicContact CD1-CD1 4.35Å; L266-I268 PolarHBondContact O-N 2.83Å; L266-L472 HydrophobicContact CD1-CD2 3.59Å; L266-L472 HydrophobicContact CD2-CD2 4.34Å; L266-L472 HydrophobicContact CG-CD2 4.41Å
267G86.3Confident90.7Very high52 Ų5265.1 Ų65.154%0.53634%0.34SS..THydrogen-bonded Turntrans74.510.7-176.900000114.6K264 S265K264-G267 PolarHBondContact O-N 3.22Å; S265-G267 VanDerWaalsContact C-N 3.33Å
268I87.3Confident90.9Very high7 Ų764.2 Ų64.24%0.03633%0.329CS..PPolyproline II helixtrans-89.7122.1-179.3-54.2173.6000109.3A229 I241 A243 L263 L266 V270A229-I268 HydrophobicContact CB-CD1 3.76Å; A229-I268 WeakPolarHBondContact O-CD1 3.43Å; I241-I268 HydrophobicContact CG2-CG2 4.3Å; A243-I268 HydrophobicContact CB-CG2 3.69Å; L263-I268 HydrophobicContact CD2-CD1 4.21Å; L263-I268 PolarHBondContact O-N 3.07Å; L266-I268 VanDerWaalsContact C-N 3.26Å; L266-I268 HydrophobicContact CB-CD1 4.19Å; L266-I268 HydrophobicContact CB-CG1 4.17Å; L266-I268 HydrophobicContact CD1-CD1 4.35Å; L266-I268 PolarHBondContact O-N 2.83Å; I268-V270 HydrophobicContact CG2-CG2 4.38Å; I268-V270 PolarHBondContact O-N 2.98Å
269K88.4Confident91.3Very high164 Ų16459.4 Ų59.471%0.71331%0.311SS*.PPolyproline II helixtrans-79117.2170.8-175.4-178.7176.7-175.70109.6
270V93.5Very high91.7Very high25 Ų2559.9 Ų59.915%0.15231%0.313CS..EExtended strand (participates in β ladder)trans-101.4128.4179.8-1780000110.7L219 A243 H245 I260 L263 I268 L272L219-V270 HydrophobicContact CD1-CB 4.41Å; L219-V270 HydrophobicContact CD1-CG1 3.68Å; L219-V270 HydrophobicContact CD1-CG2 3.85Å; A243-V270 HydrophobicContact CB-CG2 4.33Å; H245-V270 HydrophobicContact CB-CG1 3.75Å; I260-V270 HydrophobicContact CG1-CG1 4.31Å; L263-V270 HydrophobicContact CB-CG2 3.69Å; L263-V270 HydrophobicContact CD1-CG2 3.72Å; L263-V270 HydrophobicContact CG-CG2 4.38Å; I268-V270 HydrophobicContact CG2-CG2 4.38Å; I268-V270 PolarHBondContact O-N 2.98Å; V270-L272 PolarHBondContact O-N 3.14Å
271H94.3Very high91.9Very high63 Ų6360.2 Ų60.229%0.29232%0.319SS..EExtended strand (participates in β ladder)trans-83100.9168.1-66.7-97.1000109.1A243 V244 H245A243-H271 PolarHBondContact O-N 3.39Å; V244-H271 WeakPolarHBondContact CA-O 3.38Å; V244-H271 HydrophobicContact CG2-CB 4.23Å; H245-H271 PolarHBondContact N-O 2.99Å
272L95.7Very high92.2Very high75 Ų7553.7 Ų53.739%0.39329%0.29SS..EExtended strand (participates in β ladder)trans-81.5122.5173172.364.3000110.1H245 D247 I260 V270H245-L272 WeakPolarHBondContact O-CA 3.31Å; D247-L272 HydrophobicContact CB-CD1 4.19Å; I260-L272 HydrophobicContact CD1-CB 3.71Å; I260-L272 HydrophobicContact CD1-CD1 4.03Å; I260-L272 HydrophobicContact CD1-CD2 3.58Å; I260-L272 HydrophobicContact CD1-CG 3.94Å; V270-L272 PolarHBondContact O-N 3.14Å
273I96.2Very high92.6Very high34 Ų3456 Ų5617%0.17430%0.303CS..EExtended strand (participates in β ladder)trans-111.2109.2174.9-52.1-61.6000108V244 H245 I246 D247 A275 V391 V395V244-I273 HydrophobicContact CG1-CG1 4.07Å; H245-I273 PolarHBondContact O-N 3.42Å; I246-I273 HydrophobicContact CG1-CB 4.18Å; I246-I273 HydrophobicContact CG1-CG1 4.47Å; D247-I273 PolarHBondContact N-O 2.93Å; I273-A275 PolarHBondContact O-N 3.5Å; I273-V391 HydrophobicContact CG2-CG1 4.07Å; I273-V395 HydrophobicContact CB-CG2 4.3Å; I273-V395 HydrophobicContact CD1-CG1 4.19Å; I273-V395 HydrophobicContact CD1-CG2 3.88Å; I273-V395 HydrophobicContact CG1-CG1 4.17Å; I273-V395 HydrophobicContact CG1-CG2 3.64Å; I273-V395 HydrophobicContact CG2-CG2 3.87Å
274N96.3Very high92.9Very high129 Ų12956.9 Ų56.969%0.6931%0.309SS*.EExtended strand (participates in β ladder)trans-83.7106.8173.9-172.7-17.5000109.7G276N274-G276 PolarHBondContact OD1-N 2.91Å
275A96.8Very high92.8Very high2 Ų252.9 Ų52.92%0.01729%0.293CS..  trans-117.19.3-175.500000113.4I246 D247 I273 L277 R278 F279 V391I246-A275 HydrophobicContact CG2-CB 4.09Å; D247-A275 CarbonylContact O-C 3.46Å; D247-A275 WeakPolarHBondContact O-CA 3.45Å; D247-A275 PolarHBondContact O-N 3.38Å; I273-A275 PolarHBondContact O-N 3.5Å; A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 2.86Å; A275-L277 VanDerWaalsContact O-N 3.15Å; A275-R278 WeakPolarHBondContact O-CA 3.35Å; A275-R278 VanDerWaalsContact O-CB 3.26Å; A275-R278 WeakPolarHBondContact O-CB 3.25Å; A275-R278 PolarHBondContact O-N 3Å; A275-F279 HydrophobicContact CB-CD2 3.79Å; A275-F279 HydrophobicContact CB-CE2 3.69Å; A275-F279 WeakPolarHBondContact O-CD2 3.31Å; A275-F279 PolarHBondContact O-N 3.39Å; A275-F279 VanDerWaalsContact O-N 3.12Å; A275-V391 HydrophobicContact CB-CG1 3.87Å; A275-V391 HydrophobicContact CB-CG2 4.02Å
276G95.7Very high92.7Very high8 Ų851.1 Ų51.18%0.08228%0.277CS..Hα-helixtrans-50.4-45.8-171.400000114.9D247 N274 R278 F279 L280D247-G276 PolarHBondContact O-N 2.84Å; N274-G276 PolarHBondContact OD1-N 2.91Å; G276-R278 VanDerWaalsContact C-N 3.28Å; G276-R278 PolarHBondContact O-N 3.17Å; G276-F279 PolarHBondContact O-N 3.46Å; G276-L280 WeakPolarHBondContact O-CG 3.23Å; G276-L280 PolarHBondContact O-N 2.81Å
277L96.5Very high92.4Very high110 Ų11055.6 Ų55.658%0.57630%0.296SS*.Hα-helixtrans-64.4-33178.1-177.660.4000113A275 S281A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 2.86Å; A275-L277 VanDerWaalsContact O-N 3.15Å; L277-S281 VanDerWaalsContact O-CB 3.3Å; L277-S281 WeakPolarHBondContact O-CB 3.48Å; L277-S281 PolarHBondContact O-N 2.91Å; L277-S281 PolarHBondContact O-OG 3.43Å
278R96.8Very high92Very high88 Ų8855.4 Ų55.433%0.33229%0.285SS..Hα-helixtrans-69.1-41.3178.2-56.5-179.858.9-177.6-1.4110.9A275 G276 S281 G282 V391 E394A275-R278 WeakPolarHBondContact O-CA 3.35Å; A275-R278 VanDerWaalsContact O-CB 3.26Å; A275-R278 WeakPolarHBondContact O-CB 3.25Å; A275-R278 PolarHBondContact O-N 3Å; G276-R278 VanDerWaalsContact C-N 3.28Å; G276-R278 PolarHBondContact O-N 3.17Å; R278-S281 CarbonylContact O-C 3.48Å; R278-S281 PolarHBondContact O-N 2.64Å; R278-G282 WeakPolarHBondContact O-CA 3.38Å; R278-G282 PolarHBondContact O-N 2.89Å; R278-V391 HydrophobicContact CB-CG2 4.48Å; R278-V391 VanDerWaalsContact CZ-CG2 3.48Å; R278-E394 IonicContact CZ-OE1 2.62Å; R278-E394 IonicContact CZ-OE2 3.59Å; R278-E394 IonicContact NH1-OE1 2.92Å; R278-E394 IonicContact NH1-OE2 2.54Å; R278-E394 PolarHBondContact NH1-OE2 3.06Å; R278-E394 IonicContact NH2-OE1 3.96Å; R278-E394 PolarHBondContact NH2-OE1 2.98Å; R278-E394 IonicContact NH2-OE2 2.67Å; R278-E394 PolarHBondContact NH2-OE2 3.43Å
279F96.5Very high91.5Very high1 Ų159.7 Ų59.70%0.00431%0.307CS..Hα-helixtrans-66.4-45.5174-80.2-93.1000111.8I246 N248 F250 A275 G276 S281 G282 L370 I384 T387 F388 V391I246-F279 HydrophobicContact CG2-CE2 4.01Å; I246-F279 HydrophobicContact CG2-CZ 4.38Å; N248-F279 HydrophobicContact CB-CD1 3.85Å; N248-F279 HydrophobicContact CB-CD2 3.75Å; N248-F279 HydrophobicContact CB-CE1 3.76Å; N248-F279 HydrophobicContact CB-CE2 3.67Å; N248-F279 HydrophobicContact CB-CG 3.84Å; N248-F279 HydrophobicContact CB-CZ 3.67Å; N248-F279 VanDerWaalsContact O-CB 3.27Å; N248-F279 WeakPolarHBondContact O-CB 3.27Å; F250-F279 HydrophobicContact CE2-CB 3.95Å; A275-F279 HydrophobicContact CB-CD2 3.79Å; A275-F279 HydrophobicContact CB-CE2 3.69Å; A275-F279 WeakPolarHBondContact O-CD2 3.31Å; A275-F279 PolarHBondContact O-N 3.39Å; A275-F279 VanDerWaalsContact O-N 3.12Å; G276-F279 PolarHBondContact O-N 3.46Å; F279-S281 VanDerWaalsContact C-N 3.26Å; F279-S281 PolarHBondContact O-N 2.84Å; F279-G282 PolarHBondContact O-N 2.8Å; F279-L370 WeakPolarHBondContact O-CB 3.5Å; F279-L370 WeakPolarHBondContact O-CD2 3.08Å; F279-I384 HydrophobicContact CD1-CB 4.45Å; F279-I384 HydrophobicContact CD1-CG1 4.37Å; F279-I384 HydrophobicContact CD1-CG2 4.1Å; F279-I384 HydrophobicContact CE1-CG2 3.91Å; F279-I384 WeakPolarHBondContact CE1-O 3.43Å; F279-T387 HydrophobicContact CD1-CG2 3.98Å; F279-T387 HydrophobicContact CD2-CG2 4.18Å; F279-T387 HydrophobicContact CE1-CG2 4.19Å; F279-T387 HydrophobicContact CE2-CG2 4.37Å; F279-T387 HydrophobicContact CG-CG2 3.99Å; F279-T387 HydrophobicContact CZ-CG2 4.38Å; F279-F388 HydrophobicContact CE1-CB 3.97Å; F279-F388 HydrophobicContact CZ-CB 3.82Å; F279-F388 HydrophobicContact CZ-CD2 4.06Å; F279-F388 HydrophobicContact CZ-CG 4.44Å; F279-V391 HydrophobicContact CE2-CG2 3.94Å; F279-V391 HydrophobicContact CZ-CG2 4.49Å
280L96.6Very high90.9Very high13 Ų1353.3 Ų53.37%0.06828%0.282CS..Hα-helixtrans-59.4-36.6175.7-75.6170.1000113.2F250 G276 G282 R371 L624 E626 I629F250-L280 HydrophobicContact CE1-CD2 4.02Å; F250-L280 HydrophobicContact CZ-CD2 3.88Å; F250-L280 HydrophobicContact CZ-CG 4.41Å; G276-L280 WeakPolarHBondContact O-CG 3.23Å; G276-L280 PolarHBondContact O-N 2.81Å; L280-G282 VanDerWaalsContact C-N 3.29Å; L280-R371 HydrophobicContact CB-CB 4.31Å; L280-R371 HydrophobicContact CD2-CB 4.1Å; L280-R371 VanDerWaalsContact O-CB 3.31Å; L280-R371 WeakPolarHBondContact O-CB 3.49Å; L280-R371 WeakPolarHBondContact O-CG 3.11Å; L280-R371 PolarHBondContact O-N 3.39Å; L280-L624 VanDerWaalsContact CD2-O 3.29Å; L280-L624 WeakPolarHBondContact CD2-O 3.43Å; L280-E626 HydrophobicContact CD1-CG 3.88Å; L280-I629 HydrophobicContact CD2-CD1 3.71Å
281S96.1Very high90.1Very high48 Ų4857.3 Ų57.334%0.33630%0.301SS..THydrogen-bonded Turntrans-903.5177.8-46.60000112.7L277 R278 F279 R371L277-S281 VanDerWaalsContact O-CB 3.3Å; L277-S281 WeakPolarHBondContact O-CB 3.48Å; L277-S281 PolarHBondContact O-N 2.91Å; L277-S281 PolarHBondContact O-OG 3.43Å; R278-S281 CarbonylContact O-C 3.48Å; R278-S281 PolarHBondContact O-N 2.64Å; F279-S281 VanDerWaalsContact C-N 3.26Å; F279-S281 PolarHBondContact O-N 2.84Å; S281-R371 PolarHBondContact OG-NH1 3.09Å
282G95.2Very high89.1Confident4 Ų455.4 Ų55.44%0.04129%0.294CS..  trans-64138-174.500000111.8R278 F279 L280 P369 L370 I383R278-G282 WeakPolarHBondContact O-CA 3.38Å; R278-G282 PolarHBondContact O-N 2.89Å; F279-G282 PolarHBondContact O-N 2.8Å; L280-G282 VanDerWaalsContact C-N 3.29Å; G282-P369 CarbonylContact O-C 3.22Å; G282-P369 VanDerWaalsContact O-CA 3.3Å; G282-P369 WeakPolarHBondContact O-CA 3.45Å; G282-L370 PolarHBondContact O-N 2.88Å; G282-I383 VanDerWaalsContact C-CG2 3.46Å; G282-I383 VanDerWaalsContact O-CG2 3.29Å; G282-I383 WeakPolarHBondContact O-CG2 3.31Å
283T94.4Very high87.9Confident68 Ų6858.7 Ų58.742%0.41731%0.307SS..  trans-130.4157.9172.1530000108.7I367 P369 R390T283-I367 CarbonylContact C-O 3.06Å; T283-I367 VanDerWaalsContact CA-O 3.3Å; T283-I367 WeakPolarHBondContact CA-O 3.45Å; T283-P369 HydrophobicContact CG2-CB 4.28Å; T283-P369 HydrophobicContact CG2-CG 3.98Å; T283-R390 PolarHBondContact O-NH1 2.79Å; T283-R390 PolarHBondContact O-NH2 2.86Å
284T91.6Very high86.4Confident19 Ų1961.3 Ų61.312%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-152.1-176.7169.9-161.30000111.2P366 I367 Q382 I383 D386T284-P366 CarbonylContact O-C 3.55Å; T284-P366 WeakPolarHBondContact O-CA 2.85Å; T284-I367 HydrophobicContact CG2-CD1 3.61Å; T284-I367 HydrophobicContact CG2-CG1 3.54Å; T284-I367 PolarHBondContact N-O 3.38Å; T284-I367 PolarHBondContact O-N 3.11Å; T284-Q382 HydrophobicContact CG2-CB 4.41Å; T284-Q382 HydrophobicContact CG2-CG 3.97Å; T284-I383 HydrophobicContact CG2-CB 4.48Å; T284-I383 HydrophobicContact CG2-CG1 3.77Å; T284-D386 VanDerWaalsContact CB-OD2 3.26Å; T284-D386 WeakPolarHBondContact CB-OD2 3.29Å; T284-D386 WeakPolarHBondContact CG2-OD2 3.46Å; T284-D386 PolarHBondContact OG1-OD2 3.44Å
285M87.3Confident84.7Confident74 Ų7458.6 Ų58.637%0.36532%0.318SS..EExtended strand (participates in β ladder)trans-109.8126.3177-55.6-57.1-66.600109.8N364 I365 P366 Q382M285-N364 HydrophobicContact CB-CB 4.38Å; M285-N364 HydrophobicContact CE-CB 3.57Å; M285-N364 VanDerWaalsContact CE-O 3.29Å; M285-N364 WeakPolarHBondContact CE-O 3.06Å; M285-I365 CarbonylContact C-O 3.58Å; M285-I365 WeakPolarHBondContact CA-O 3.48Å; M285-P366 HydrophobicContact CE-CB 4.17Å; M285-P366 HydrophobicContact SD-CB 3.84Å; M285-Q382 PolarHBondContact O-NE2 3.03Å
286L81.5Confident82.4Confident53 Ų5361.8 Ų61.828%0.27735%0.345SS..EExtended strand (participates in β ladder)trans-84.6124.1167.2-175.868.8000108.7V288 N364 I365 I367 Q382L286-V288 HydrophobicContact CD2-CG2 3.77Å; L286-V288 HydrophobicContact CG-CG2 3.83Å; L286-N364 WeakPolarHBondContact O-CA 3.35Å; L286-I365 PolarHBondContact N-O 3.16Å; L286-I365 PolarHBondContact O-N 3.11Å; L286-I367 HydrophobicContact CB-CD1 4.35Å; L286-I367 HydrophobicContact CB-CG2 3.94Å; L286-Q382 VanDerWaalsContact CD1-OE1 3.3Å
287H78.5Confident79.9Confident131 Ų13166.2 Ų66.261%0.60637%0.372SS*.EExtended strand (participates in β ladder)trans-86.5115.7173.7-64.2-69000108.8N364H287-N364 PolarHBondContact CE1-OD1 3.15Å; H287-N364 PolarHBondContact ND1-OD1 3.18Å
288V77.5Confident76.9Confident48 Ų4866.1 Ų66.129%0.29139%0.387SS..EExtended strand (participates in β ladder)trans-121120.9178.4-175.20000108.9L286 V290 R363 I365L286-V288 HydrophobicContact CD2-CG2 3.77Å; L286-V288 HydrophobicContact CG-CG2 3.83Å; V288-V290 HydrophobicContact CG1-CG2 4Å; V288-V290 PolarHBondContact O-N 2.92Å; V288-R363 PolarHBondContact N-O 2.64Å; V288-R363 PolarHBondContact O-N 2.95Å; V288-I365 HydrophobicContact CB-CD1 4.41Å; V288-I365 HydrophobicContact CG2-CD1 3.85Å; V288-I365 HydrophobicContact CG2-CG1 4.47Å
289D77.3Confident74Confident96 Ų9666.5 Ų66.551%0.51340%0.404SS..EExtended strand (participates in β ladder)trans-78.9115.4170-69.7-29.7000109.5L360 S362D289-L360 HydrophobicContact CB-CD1 3.97Å; D289-L360 HydrophobicContact CB-CD2 3.83Å; D289-L360 HydrophobicContact CB-CG 3.85Å; D289-S362 WeakPolarHBondContact OD1-CB 3.27Å; D289-S362 PolarHBondContact OD1-OG 3.38Å
290V75.2Confident71Confident30 Ų3072.9 Ų72.918%0.18244%0.442CS..EExtended strand (participates in β ladder)trans-109.1121.3-179.6-175.20000108.8V288 T292 L295 E361 R363V288-V290 HydrophobicContact CG1-CG2 4Å; V288-V290 PolarHBondContact O-N 2.92Å; V290-T292 PolarHBondContact O-N 3.09Å; V290-L295 HydrophobicContact CG1-CD1 3.77Å; V290-L295 HydrophobicContact CG1-CD2 4.11Å; V290-L295 HydrophobicContact CG1-CG 3.81Å; V290-E361 PolarHBondContact N-O 3.09Å; V290-E361 PolarHBondContact O-N 2.85Å; V290-R363 HydrophobicContact CG2-CG 4.29Å
291M75.5Confident67.8Low110 Ų11077.4 Ų77.454%0.54248%0.475SS..EExtended strand (participates in β ladder)trans-65.9118.7165.4-72.8-65.1-17200108.7E293 A294 L360M291-E293 PolarHBondContact O-N 2.71Å; M291-A294 WeakPolarHBondContact O-CB 3.4Å; M291-A294 PolarHBondContact O-N 3.32Å; M291-L360 HydrophobicContact CE-CD1 3.54Å; M291-L360 HydrophobicContact CG-CD1 4.02Å; M291-L360 HydrophobicContact SD-CB 4.34Å; M291-L360 HydrophobicContact SD-CD1 3.53Å; M291-L360 VanDerWaalsContact SD-CD1 3.53Å
292T74.1Confident64.6Low23 Ų2380.7 Ų80.714%0.14150%0.495CS..G310 helixtrans-61.4-17.6-178.445.60000113.9V290 A294 L295 H359 E361V290-T292 PolarHBondContact O-N 3.09Å; T292-A294 VanDerWaalsContact C-N 3.3Å; T292-A294 PolarHBondContact O-N 3.36Å; T292-L295 HydrophobicContact CG2-CD1 4.34Å; T292-L295 WeakPolarHBondContact O-CB 3.45Å; T292-L295 PolarHBondContact O-N 3.21Å; T292-L295 VanDerWaalsContact O-N 3.15Å; T292-H359 WeakPolarHBondContact CB-O 3.36Å; T292-H359 WeakPolarHBondContact CG2-O 3.35Å; T292-H359 PolarHBondContact N-O 2.68Å; T292-H359 PolarHBondContact OG1-N 3.2Å; T292-H359 PolarHBondContact OG1-ND1 2.84Å; T292-H359 PolarHBondContact OG1-O 3.13Å; T292-E361 HydrophobicContact CG2-CB 3.76Å
293E71.6Confident61.3Low144 Ų14485.9 Ų85.967%0.67353%0.531SS*.G310 helixtrans-60.6-35.8171-141168.4-158.700112.8M291 L295 P358M291-E293 PolarHBondContact O-N 2.71Å; E293-L295 PolarHBondContact O-N 2.9Å; E293-P358 HydrophobicContact CB-CB 3.76Å; E293-P358 HydrophobicContact CG-CB 3.94Å; E293-P358 HydrophobicContact CG-CG 4.3Å
294A63.7Low58.3Low88 Ų8892.5 Ų92.573%0.72755%0.554SS**G310 helixtrans-72.7-10.5177.900000113.4M291 T292M291-A294 WeakPolarHBondContact O-CB 3.4Å; M291-A294 PolarHBondContact O-N 3.32Å; T292-A294 VanDerWaalsContact C-N 3.3Å; T292-A294 PolarHBondContact O-N 3.36Å
295L60.1Low55.1Low72 Ų7298 Ų9838%0.37759%0.587SS.*G310 helixtrans-98.4-13.8-176.8-65.5171.4000113.4V290 T292 E293 P297V290-L295 HydrophobicContact CG1-CD1 3.77Å; V290-L295 HydrophobicContact CG1-CD2 4.11Å; V290-L295 HydrophobicContact CG1-CG 3.81Å; T292-L295 HydrophobicContact CG2-CD1 4.34Å; T292-L295 WeakPolarHBondContact O-CB 3.45Å; T292-L295 PolarHBondContact O-N 3.21Å; T292-L295 VanDerWaalsContact O-N 3.15Å; E293-L295 PolarHBondContact O-N 2.9Å; L295-P297 VanDerWaalsContact O-CD 3.23Å; L295-P297 WeakPolarHBondContact O-CD 3.36Å
296A48.3Very low52Low70 Ų70103.2 Ų103.258%0.57961%0.611SS**  trans-70.9116.4-175.800000110.7A298A296-A298 PolarHBondContact O-N 2.96Å
297P43.6Very low49.2Very low101 Ų101105.5 Ų105.566%0.65663%0.632SS**  trans-66.9133.9168.727.5-30.1000107.8L295 S299L295-P297 VanDerWaalsContact O-CD 3.23Å; L295-P297 WeakPolarHBondContact O-CD 3.36Å; P297-S299 PolarHBondContact O-N 3.25Å; P297-S299 PolarHBondContact O-OG 2.93Å; P297-S299 VanDerWaalsContact O-OG 3.07Å
298A34.6Very low46.5Very low108 Ų108106.3 Ų106.389%0.89364%0.64SS**  trans-55.283.5172.900000110.2A296 V300A296-A298 PolarHBondContact O-N 2.96Å; A298-V300 PolarHBondContact O-N 3.35Å
299S35.9Very low43.9Very low96 Ų96108.4 Ų108.467%0.67166%0.657SS**  trans-95.399.6178.834.70000106.4P297 S301P297-S299 PolarHBondContact O-N 3.25Å; P297-S299 PolarHBondContact O-OG 2.93Å; P297-S299 VanDerWaalsContact O-OG 3.07Å; S299-S301 PolarHBondContact O-N 3.02Å
300V31.5Very low41.2Very low135 Ų135111.7 Ų111.782%0.81867%0.669SS**  trans-44110.1170.6-177.70000108.6A298A298-V300 PolarHBondContact O-N 3.35Å
301S29.8Very low38.6Very low108 Ų108117.2 Ų117.276%0.75570%0.696SS**  trans-67.3123.8175.1-58.70000108.7S299 S303S299-S301 PolarHBondContact O-N 3.02Å; S301-S303 PolarHBondContact O-N 3.15Å
302P29.9Very low36Very low116 Ų116116.9 Ų116.975%0.75371%0.705SS**  trans-73128.4177.4-0.815.2000109.2K304P302-K304 PolarHBondContact O-N 3.2Å
303S26.5Very low33.4Very low114 Ų114122.1 Ų122.180%0.79774%0.737SS**  trans-52.4109.5171.2530000110.4S301S301-S303 PolarHBondContact O-N 3.15Å
304K29.6Very low31.1Very low206 Ų206118.4 Ų118.490%0.89674%0.737SS**  trans-86.1112.6164.2-84.3-170.7175.2-178.80109.3P302P302-K304 PolarHBondContact O-N 3.2Å
305T25.8Very low28.9Very low134 Ų134120.5 Ų120.582%0.82274%0.741SS**  trans-55154.7163.723.40000112.6
306Q21.7Very low27Very low184 Ų184121.4 Ų121.486%0.8675%0.754SS**  trans-52.4174-179.4-66.9166.5-30.900116.4
307S21.6Very low25.7Very low102 Ų102124.2 Ų124.271%0.71376%0.759SS**  trans84.1131.6169.970.90000114.7
308D23.8Very low24.6Very low147 Ų147126.9 Ų126.979%0.78676%0.763SS**  cis-162.8152.64.5-103.7-24.8000109.5
309S22.1Very low23.8Very low92 Ų92127.3 Ų127.364%0.64375%0.754SS**  trans37.4125144.168.20000123
310E20.9Very low23.2Very low165 Ų165128.3 Ų128.377%0.77176%0.761SS**  83.1117.2121.2-73.7-174.7179.100122.9
311I20.2Very low22.9Very low146 Ų146128.3 Ų128.375%0.74976%0.757SS**  84.6124.8127.9-62.7166.3000119.3
312S21.3Very low23.2Very low103 Ų103128 Ų12872%0.7275%0.752SS**  trans124.599.8138.9-167.40000116.2
313T18.4Very low22.8Very low134 Ų134129.3 Ų129.382%0.82275%0.753SS**  trans-29.9142.5144.946.40000117.5
314G22.9Very low22.8Very low65 Ų65130 Ų13067%0.6775%0.753SS**  trans-179.990.315600000108.3
315T18.3Very low22.4Very low132 Ų132128.8 Ų128.881%0.8175%0.747SS**  50.7114.693.357.40000115.8
316S20.1Very low22.2Very low92 Ų92130.6 Ų130.664%0.64375%0.746SS**  102.5138.2124.585.30000119.7
317D21.1Very low22.1Very low128 Ų128127.8 Ų127.868%0.68475%0.746SS**  trans79.9140.3147.7-51.8-27.9000117.7
318E20Very low22.1Very low158 Ų158135 Ų13574%0.73876%0.757SS**  cis-171.4150.4-7.5-118177168.200105.3
319T19.3Very low21.9Very low116 Ų116132.8 Ų132.871%0.71275%0.753SS**  trans21.4131.1143.860.20000121.4
320S22.2Very low22Very low117 Ų117134 Ų13482%0.81876%0.757SS**  162.3120101.462.50000113.6
321D25.7Very low22.1Very low136 Ų136134.5 Ų134.573%0.72776%0.764SS**  trans-60.9168.1146.5-153.328.5000109
322P36.6Very low22.3Very low101 Ų101134.9 Ų134.966%0.65677%0.768SS**  cis-152.1168.627.440.6-16.3000120.2
323N21.2Very low22.6Very low144 Ų144135.1 Ų135.177%0.7777%0.769SS**  trans10.8122.1144.7-73.7-47.5000120.4
324T25.4Very low22.9Very low129 Ų129137.7 Ų137.779%0.79177%0.774SS**  trans-151111.2146.718.70000107.8
325K22.4Very low23.1Very low180 Ų180138.6 Ų138.678%0.78378%0.775SS**  83130.591.4-92.1-166.3177.8-172.90115.5
326E21Very low23.5Very low171 Ų171143.3 Ų143.380%0.79978%0.78SS**  trans101122.1141.5-79.6172.2-164.800121.6
327C18.8Very low23.8Very low126 Ų126148.2 Ų148.285%0.85179%0.79SS**  trans-41.1140.4166-69.50000114.9
328R21.3Very low24Very low252 Ų252150.3 Ų150.395%0.95180%0.796SS**  trans-151.9147.1140-106.9168.8-166.4-170.83.7111.5
329S20.3Very low24.3Very low102 Ų102147.7 Ų147.771%0.71380%0.795SS**  trans-72176.5-173.152.60000114.7
330T23.5Very low24.5Very low118 Ų118147.8 Ų147.872%0.72480%0.795SS**  trans86.6101155.913.40000117.3D332T330-D332 PolarHBondContact O-N 3.43Å
331L24.5Very low24.7Very low174 Ų174149.4 Ų149.491%0.91180%0.795SS**  trans13.679.8135.9-74151.5000115
332D24.1Very low24.5Very low155 Ų155148.7 Ų148.783%0.82980%0.796SS**  trans-150.1140.6155.5-102.4-30000108.4T330T330-D332 PolarHBondContact O-N 3.43Å
333S28.3Very low24.2Very low108 Ų108148.3 Ų148.376%0.75580%0.796SS**  trans77.589.1-177.672.90000117A335S333-A335 PolarHBondContact O-N 2.91Å
334M23.7Very low24.3Very low187 Ų187149.1 Ų149.192%0.92180%0.8SS**  trans-58.583.4145.7-72.8-179.1146.300109.2
335A27.4Very low24.4Very low84 Ų84149 Ų14969%0.69480%0.799SS**  trans-90.8121.7164.200000108.1S333S333-A335 PolarHBondContact O-N 2.91Å
336Y27.2Very low24.7Very low231 Ų231149.7 Ų149.791%0.90680%0.802SS**  trans-46.8136.2176.8-86.1-104.2000111.8Q338Y336-Q338 PolarHBondContact O-N 3.17Å
337F26.7Very low24.8Very low195 Ų195153.6 Ų153.686%0.85581%0.81SS**  trans-49105.7172.7-93.2-93.3000110.6S339F337-S339 PolarHBondContact O-N 3.24Å
338Q23.9Very low25.2Very low172 Ų172156.4 Ų156.480%0.80481%0.81SS**  trans-71114.5147.6-77.7178.6-2200106.3Y336 T340Y336-Q338 PolarHBondContact O-N 3.17Å; Q338-T340 PolarHBondContact O-N 2.92Å
339S26.9Very low25.4Very low104 Ų104149.4 Ų149.473%0.72780%0.8SS**  trans-59.9106.5164.6490000108.1F337 D341F337-S339 PolarHBondContact O-N 3.24Å; S339-D341 PolarHBondContact O-N 3.11Å
340T22.5Very low26.1Very low117 Ų117153 Ų15372%0.71881%0.805SS**  trans-73.978.5170.750.60000109Q338 T342Q338-T340 PolarHBondContact O-N 2.92Å; T340-T342 PolarHBondContact O-N 3.07Å
341D26.6Very low26.4Very low151 Ų151153.4 Ų153.481%0.80781%0.807SS**  trans-82.883.4153.9-86.1-21.8000107.3S339 S343S339-D341 PolarHBondContact O-N 3.11Å; D341-S343 PolarHBondContact O-N 3.13Å
342T23.2Very low26.9Very low121 Ų121150.6 Ų150.674%0.74280%0.802SS**  trans-68.178.7166.344.50000108.9T340 N344T340-T342 PolarHBondContact O-N 3.07Å; T342-N344 PolarHBondContact O-N 3.33Å
343S29.1Very low27.3Very low94 Ų94146.3 Ų146.366%0.65780%0.795SS**  trans-79.9111.3156.964.50000107.7D341 T345D341-S343 PolarHBondContact O-N 3.13Å; S343-T345 VanDerWaalsContact C-N 3.33Å; S343-T345 PolarHBondContact O-N 2.91Å
344N24.4Very low27.6Very low161 Ų161146 Ų14686%0.86181%0.808SS**  trans-56.587.6176.2-82.2-43.2000111.3T342 K346T342-N344 PolarHBondContact O-N 3.33Å; N344-K346 PolarHBondContact O-N 3.49Å
345T27.5Very low28.6Very low127 Ų127139.3 Ų139.378%0.77979%0.787SS**  trans-89100.3162.236.60000108.1S343 R347S343-T345 VanDerWaalsContact C-N 3.33Å; S343-T345 PolarHBondContact O-N 2.91Å; T345-R347 PolarHBondContact O-N 3.13Å
346K27.2Very low30.1Very low194 Ų194143 Ų14384%0.84379%0.793SS**  trans-46.8121.1172.6-74.1175.3174.91760109.5N344 Q348N344-K346 PolarHBondContact O-N 3.49Å; K346-Q348 PolarHBondContact O-N 3.44Å
347R23.8Very low32Very low253 Ų253139.1 Ų139.196%0.95578%0.783SS**  trans-55.3100.1165.8-75.5179.2174.9-179.3-2108.8T345T345-R347 PolarHBondContact O-N 3.13Å
348Q27.8Very low34Very low184 Ų184132.9 Ų132.986%0.8676%0.763SS**  trans-90.6112.7162-84-175.5-11.600108.3K346K346-Q348 PolarHBondContact O-N 3.44Å
349S25.8Very low36.7Very low106 Ų106130 Ų13074%0.74175%0.749SS**  trans-78.5111.4164.950.80000109.4
350H33.4Very low39.1Very low178 Ų178129.3 Ų129.382%0.82474%0.737SS**  trans-153101.7155.5-95.5-67.3000111.1
351V29.9Very low41.8Very low126 Ų126127.1 Ų127.176%0.76472%0.718SS**  44.1113126.8-173.10000119.8
352S35.9Very low44.2Very low115 Ų115123.6 Ų123.680%0.80471%0.705SS**  trans46.491143.874.30000120
353G32.9Very low46.9Very low65 Ų65122.7 Ų122.767%0.6769%0.688SS**  trans-167.3109.5151.100000107.2G355G353-G355 PolarHBondContact O-N 3.46Å
354G34.3Very low49.5Very low100 Ų100122.7 Ų122.7100%1.03168%0.681SS**  trans-70.764.2-177.700000112.7
355G45.2Very low52.4Low47 Ų47118.9 Ų118.949%0.48566%0.66SS.*  trans-97135171.500000110.5G353 H357G353-G355 PolarHBondContact O-N 3.46Å; G355-H357 PolarHBondContact O-N 2.89Å
356I58.3Low55.3Low161 Ų161117.5 Ų117.583%0.82665%0.653SS**  trans-67.7113166.9-62.3171.6000106.5P358I356-P358 WeakPolarHBondContact O-CD 3.41Å
357H67.3Low58.4Low150 Ų150109 Ų10969%0.69462%0.617SS**  trans-82.2120.9173.3-68.5-72.1000109.3G355 H359G355-H357 PolarHBondContact O-N 2.89Å; H357-H359 PolarHBondContact O-N 3.41Å
358P68.6Low61.6Low65 Ų6598 Ų9842%0.42258%0.581SS.*  trans-62.8129.6173.425.5-31.7000109.5E293 I356E293-P358 HydrophobicContact CB-CB 3.76Å; E293-P358 HydrophobicContact CG-CB 3.94Å; E293-P358 HydrophobicContact CG-CG 4.3Å; I356-P358 WeakPolarHBondContact O-CD 3.41Å
359H79.4Confident64.8Low111 Ų11191.3 Ų91.351%0.51455%0.554SS.*  trans-132.5158.1172.765.2-78.2000110T292 H357 E361T292-H359 WeakPolarHBondContact CB-O 3.36Å; T292-H359 WeakPolarHBondContact CG2-O 3.35Å; T292-H359 PolarHBondContact N-O 2.68Å; T292-H359 PolarHBondContact OG1-N 3.2Å; T292-H359 PolarHBondContact OG1-ND1 2.84Å; T292-H359 PolarHBondContact OG1-O 3.13Å; H357-H359 PolarHBondContact O-N 3.41Å; H359-E361 PolarHBondContact O-N 3.33Å
360L77.7Confident68.1Low90 Ų9086.3 Ų86.347%0.47152%0.519SS..EExtended strand (participates in β ladder)trans-74.8116.7172.7-159.181.4000108.3D289 M291D289-L360 HydrophobicContact CB-CD1 3.97Å; D289-L360 HydrophobicContact CB-CD2 3.83Å; D289-L360 HydrophobicContact CB-CG 3.85Å; M291-L360 HydrophobicContact CE-CD1 3.54Å; M291-L360 HydrophobicContact CG-CD1 4.02Å; M291-L360 HydrophobicContact SD-CB 4.34Å; M291-L360 HydrophobicContact SD-CD1 3.53Å; M291-L360 VanDerWaalsContact SD-CD1 3.53Å
361E80Confident71Confident70 Ų7082.7 Ų82.733%0.32750%0.498SS..EExtended strand (participates in β ladder)trans-108117.8174.4-175.5-171.4-163.500109V290 T292 H359 R363V290-E361 PolarHBondContact N-O 3.09Å; V290-E361 PolarHBondContact O-N 2.85Å; T292-E361 HydrophobicContact CG2-CB 3.76Å; H359-E361 PolarHBondContact O-N 3.33Å; E361-R363 HydrophobicContact CG-CG 4.37Å; E361-R363 PolarHBondContact O-N 2.84Å; E361-R363 IonicContact OE2-CZ 3.39Å; E361-R363 IonicContact OE2-NE 3.6Å; E361-R363 PolarHBondContact OE2-NE 2.8Å; E361-R363 IonicContact OE2-NH2 3.36Å; E361-R363 PolarHBondContact OE2-NH2 3.11Å
362S76.3Confident73.9Confident77 Ų7779.2 Ų79.254%0.53848%0.477SS..EExtended strand (participates in β ladder)trans-78.6118.8173.9-52.60000110.3D289D289-S362 WeakPolarHBondContact OD1-CB 3.27Å; D289-S362 PolarHBondContact OD1-OG 3.38Å
363R80.3Confident76.5Confident103 Ų10377.9 Ų77.939%0.38946%0.464SS..EExtended strand (participates in β ladder)trans-108.9142.4178.1-65.9-170.7173.5-162-8.5111.2V288 V290 E361V288-R363 PolarHBondContact N-O 2.64Å; V288-R363 PolarHBondContact O-N 2.95Å; V290-R363 HydrophobicContact CG2-CG 4.29Å; E361-R363 HydrophobicContact CG-CG 4.37Å; E361-R363 PolarHBondContact O-N 2.84Å; E361-R363 IonicContact OE2-CZ 3.39Å; E361-R363 IonicContact OE2-NE 3.6Å; E361-R363 PolarHBondContact OE2-NE 2.8Å; E361-R363 IonicContact OE2-NH2 3.36Å; E361-R363 PolarHBondContact OE2-NH2 3.11Å
364N82.6Confident79.4Confident93 Ų9375 Ų7550%0.49743%0.433SS..EExtended strand (participates in β ladder)trans-102.5109.7176.7-60.9-20.8000108.9M285 L286 H287M285-N364 HydrophobicContact CB-CB 4.38Å; M285-N364 HydrophobicContact CE-CB 3.57Å; M285-N364 VanDerWaalsContact CE-O 3.29Å; M285-N364 WeakPolarHBondContact CE-O 3.06Å; L286-N364 WeakPolarHBondContact O-CA 3.35Å; H287-N364 PolarHBondContact CE1-OD1 3.15Å; H287-N364 PolarHBondContact ND1-OD1 3.18Å
365I85.6Confident82.2Confident82 Ų8272.1 Ų72.142%0.42139%0.394SS..EExtended strand (participates in β ladder)trans-100.7123.9178.6-56177.5000108.7M285 L286 V288 I367M285-I365 CarbonylContact C-O 3.58Å; M285-I365 WeakPolarHBondContact CA-O 3.48Å; L286-I365 PolarHBondContact N-O 3.16Å; L286-I365 PolarHBondContact O-N 3.11Å; V288-I365 HydrophobicContact CB-CD1 4.41Å; V288-I365 HydrophobicContact CG2-CD1 3.85Å; V288-I365 HydrophobicContact CG2-CG1 4.47Å; I365-I367 PolarHBondContact O-N 3.17Å
366P89.2Confident84.5Confident97 Ų9774.6 Ų74.663%0.6339%0.391SS*.EExtended strand (participates in β ladder)trans-68.1129.3175.328.1-32.4000110.4T284 M285T284-P366 CarbonylContact O-C 3.55Å; T284-P366 WeakPolarHBondContact O-CA 2.85Å; M285-P366 HydrophobicContact CE-CB 4.17Å; M285-P366 HydrophobicContact SD-CB 3.84Å
367I91.4Very high86Confident17 Ų1767.3 Ų67.39%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-118.2143.4173.159.5167.7000110.5T283 T284 L286 I365 D379 Q382 I383T283-I367 CarbonylContact C-O 3.06Å; T283-I367 VanDerWaalsContact CA-O 3.3Å; T283-I367 WeakPolarHBondContact CA-O 3.45Å; T284-I367 HydrophobicContact CG2-CD1 3.61Å; T284-I367 HydrophobicContact CG2-CG1 3.54Å; T284-I367 PolarHBondContact N-O 3.38Å; T284-I367 PolarHBondContact O-N 3.11Å; L286-I367 HydrophobicContact CB-CD1 4.35Å; L286-I367 HydrophobicContact CB-CG2 3.94Å; I365-I367 PolarHBondContact O-N 3.17Å; I367-D379 HydrophobicContact CD1-CB 4.1Å; I367-Q382 HydrophobicContact CD1-CB 4.41Å; I367-I383 HydrophobicContact CB-CD1 4.47Å; I367-I383 HydrophobicContact CD1-CD1 4.33Å; I367-I383 HydrophobicContact CD1-CG1 4.01Å; I367-I383 HydrophobicContact CG1-CD1 4.22Å; I367-I383 HydrophobicContact CG1-CG1 4.04Å
368G91.6Very high87Confident21 Ų2163.3 Ų63.322%0.21634%0.336CS..  trans103.6-179.1-17300000114V373 T374G368-V373 WeakPolarHBondContact O-CG2 3.42Å; G368-T374 WeakPolarHBondContact CA-OG1 3.2Å
369P95.2Very high88.1Confident44 Ų4461.9 Ų61.929%0.28633%0.325SS..  cis-64.81524.9-23.333.6000114.8G282 T283 R371 T372 V373 T374G282-P369 CarbonylContact O-C 3.22Å; G282-P369 VanDerWaalsContact O-CA 3.3Å; G282-P369 WeakPolarHBondContact O-CA 3.45Å; T283-P369 HydrophobicContact CG2-CB 4.28Å; T283-P369 HydrophobicContact CG2-CG 3.98Å; P369-R371 PolarHBondContact O-N 3.27Å; P369-T372 PolarHBondContact O-N 3.32Å; P369-V373 PolarHBondContact O-N 3.26Å; P369-T374 PolarHBondContact O-OG1 3.26Å
370L94.7Very high88.7Confident0 Ų056.6 Ų56.60%030%0.301CS..THydrogen-bonded Turntrans-53.6-40.1179.8-17058.7000112.7F250 F279 G282 T374 K380 I383 I384 L624F250-L370 HydrophobicContact CE2-CD2 3.48Å; F250-L370 VanDerWaalsContact CE2-CD2 3.48Å; F250-L370 HydrophobicContact CZ-CD2 3.45Å; F250-L370 VanDerWaalsContact CZ-CD2 3.45Å; F250-L370 HydrophobicContact CZ-CG 4.31Å; F279-L370 WeakPolarHBondContact O-CB 3.5Å; F279-L370 WeakPolarHBondContact O-CD2 3.08Å; G282-L370 PolarHBondContact O-N 2.88Å; L370-T374 WeakPolarHBondContact CA-OG1 3.3Å; L370-T374 HydrophobicContact CD1-CG2 4.09Å; L370-K380 HydrophobicContact CD1-CB 3.94Å; L370-K380 HydrophobicContact CD1-CG 3.78Å; L370-I383 HydrophobicContact CB-CG2 4.05Å; L370-I383 HydrophobicContact CD1-CB 4.43Å; L370-I383 HydrophobicContact CD1-CD1 4.4Å; L370-I383 HydrophobicContact CD1-CG2 4.36Å; L370-I383 HydrophobicContact CD2-CG2 4.48Å; L370-I384 HydrophobicContact CD2-CD1 4.06Å; L370-I384 HydrophobicContact CD2-CG1 3.68Å; L370-L624 HydrophobicContact CD1-CD1 3.8Å; L370-L624 HydrophobicContact CD2-CD1 4.31Å; L370-L624 HydrophobicContact CG-CD1 3.76Å
371R95Very high89.3Confident102 Ų10253 Ų5339%0.38528%0.281SS..THydrogen-bonded Turntrans-78.8-14.4-174.877.2-171.4-171.5-152.9-0.2116.5L280 S281 P369 Y623 L624L280-R371 HydrophobicContact CB-CB 4.31Å; L280-R371 HydrophobicContact CD2-CB 4.1Å; L280-R371 VanDerWaalsContact O-CB 3.31Å; L280-R371 WeakPolarHBondContact O-CB 3.49Å; L280-R371 WeakPolarHBondContact O-CG 3.11Å; L280-R371 PolarHBondContact O-N 3.39Å; S281-R371 PolarHBondContact OG-NH1 3.09Å; P369-R371 PolarHBondContact O-N 3.27Å; R371-Y623 WeakPolarHBondContact O-CB 3.34Å; R371-L624 WeakPolarHBondContact CA-O 3.29Å; R371-L624 VanDerWaalsContact CB-O 3.22Å; R371-L624 WeakPolarHBondContact CB-O 3.43Å
372T90.4Very high89.7Confident53 Ų5352.3 Ų52.333%0.32528%0.278SS..THydrogen-bonded Turntrans-121.3-36.9-166.749.60000115.9P369 Y623P369-T372 PolarHBondContact O-N 3.32Å; T372-Y623 WeakPolarHBondContact O-CD1 3.3Å; T372-Y623 WeakPolarHBondContact O-CE1 3.26Å
373V89.7Confident90.6Very high87 Ų8748.7 Ų48.753%0.52725%0.252SS..THydrogen-bonded Turntrans-128.7-13.4-172.5-62.90000112.9G368 P369 I375G368-V373 WeakPolarHBondContact O-CG2 3.42Å; P369-V373 PolarHBondContact O-N 3.26Å; V373-I375 PolarHBondContact O-N 3.23Å
374T93.9Very high91.2Very high4 Ų444.2 Ų44.23%0.02524%0.236CC..  trans-85.8109.1-172.9-47.40000110.2G368 P369 L370 D379 K380 I383G368-T374 WeakPolarHBondContact CA-OG1 3.2Å; P369-T374 PolarHBondContact O-OG1 3.26Å; L370-T374 WeakPolarHBondContact CA-OG1 3.3Å; L370-T374 HydrophobicContact CD1-CG2 4.09Å; T374-D379 HydrophobicContact CG2-CB 3.61Å; T374-K380 HydrophobicContact CG2-CG 3.75Å; T374-I383 HydrophobicContact CG2-CD1 3.82Å; T374-I383 WeakPolarHBondContact OG1-CD1 3.39Å
375I94.5Very high91.6Very high40 Ų4040.2 Ų40.221%0.20522%0.216CC..  trans-110.1-30.517862.6175.4000112.7V373 K380 C493 Y623V373-I375 PolarHBondContact O-N 3.23Å; I375-K380 WeakPolarHBondContact O-CE 3.38Å; I375-C493 HydrophobicContact CB-CB 4.04Å; I375-C493 HydrophobicContact CG2-CB 3.97Å; I375-Y623 HydrophobicContact CG2-CD1 3.95Å; I375-Y623 HydrophobicContact CG2-CE1 3.63Å
376F92.2Very high91.8Very high99 Ų9938.8 Ų38.843%0.43421%0.21SC..SBendtrans-75.5135.6-176.9-61.7-71.2000112.1E378 D379 K380F376-E378 PolarHBondContact O-N 3.43Å; F376-D379 HydrophobicContact CB-CB 4.28Å; F376-D379 WeakPolarHBondContact CD2-OD2 3.49Å; F376-D379 PolarHBondContact O-N 3.01Å; F376-K380 WeakPolarHBondContact O-CG 3.44Å; F376-K380 PolarHBondContact O-N 3.43Å
377P90.7Very high92Very high9 Ų934.4 Ų34.46%0.05818%0.181CC..Hα-helixtrans-66.3-33.6-176.225.8-35.1000113.9K380 R381 Y570 E739P377-K380 WeakPolarHBondContact O-CB 3.47Å; P377-K380 PolarHBondContact O-N 3.29Å; P377-R381 WeakPolarHBondContact O-CB 3.29Å; P377-R381 WeakPolarHBondContact O-CG 3.49Å; P377-R381 PolarHBondContact O-N 2.77Å; P377-Y570 HydrophobicContact CG-CE1 3.78Å; P377-Y570 VanDerWaalsContact CG-OH 3.32Å; P377-Y570 WeakPolarHBondContact CG-OH 3.34Å; P377-E739 HydrophobicContact CB-CB 3.86Å; P377-E739 HydrophobicContact CG-CB 4.14Å
378E87.5Confident92.1Very high65 Ų6535.2 Ų35.230%0.30418%0.184SC..Hα-helixtrans-68.1-41.1175.5-59.9-46.3125.800112.1F376 K380 R381 Q382 R568 Y570F376-E378 PolarHBondContact O-N 3.43Å; E378-K380 VanDerWaalsContact C-N 3.32Å; E378-K380 PolarHBondContact O-N 2.95Å; E378-R381 VanDerWaalsContact O-CB 3.29Å; E378-R381 WeakPolarHBondContact O-CB 3.2Å; E378-R381 PolarHBondContact O-N 2.83Å; E378-R381 IonicContact OE1-CZ 3.81Å; E378-R381 IonicContact OE1-NH1 3.36Å; E378-R381 PolarHBondContact OE1-NH1 2.9Å; E378-R381 WeakPolarHBondContact OE2-CD 3.4Å; E378-R381 IonicContact OE2-NH1 2.8Å; E378-Q382 PolarHBondContact O-N 2.69Å; E378-R568 WeakPolarHBondContact OE1-CD 3.48Å; E378-R568 IonicContact OE1-CZ 2.84Å; E378-R568 IonicContact OE1-NE 3.99Å; E378-R568 IonicContact OE1-NH1 3.94Å; E378-R568 PolarHBondContact OE1-NH1 3.02Å; E378-R568 IonicContact OE2-NH1 3.8Å; E378-R568 PolarHBondContact OE2-NH1 3.09Å; E378-Y570 PolarHBondContact OE1-OH 3.38Å
379D91.4Very high91.9Very high35 Ų3535.6 Ų35.619%0.18718%0.182CC..Hα-helixtrans-61.6-43.1173.8-60.6-4.7000110.8I367 T374 F376 R381 Q382 I383I367-D379 HydrophobicContact CD1-CB 4.1Å; T374-D379 HydrophobicContact CG2-CB 3.61Å; F376-D379 HydrophobicContact CB-CB 4.28Å; F376-D379 WeakPolarHBondContact CD2-OD2 3.49Å; F376-D379 PolarHBondContact O-N 3.01Å; D379-R381 VanDerWaalsContact C-N 3.34Å; D379-R381 PolarHBondContact O-N 2.96Å; D379-Q382 PolarHBondContact O-N 2.9Å; D379-I383 WeakPolarHBondContact O-CB 3.37Å; D379-I383 VanDerWaalsContact O-CG1 3.26Å; D379-I383 WeakPolarHBondContact O-CG1 3.43Å; D379-I383 PolarHBondContact O-N 2.91Å
380K93.2Very high91.7Very high0 Ų037.9 Ų37.90%019%0.185CC..Hα-helixtrans-58-47.5175.1-67.4172.4-173.3173.30110.8L370 T374 I375 F376 P377 E378 Q382 I384 A488 I491 C493 L624L370-K380 HydrophobicContact CD1-CB 3.94Å; L370-K380 HydrophobicContact CD1-CG 3.78Å; T374-K380 HydrophobicContact CG2-CG 3.75Å; I375-K380 WeakPolarHBondContact O-CE 3.38Å; F376-K380 WeakPolarHBondContact O-CG 3.44Å; F376-K380 PolarHBondContact O-N 3.43Å; P377-K380 WeakPolarHBondContact O-CB 3.47Å; P377-K380 PolarHBondContact O-N 3.29Å; E378-K380 VanDerWaalsContact C-N 3.32Å; E378-K380 PolarHBondContact O-N 2.95Å; K380-Q382 PolarHBondContact O-N 3.27Å; K380-I384 VanDerWaalsContact O-CB 3.3Å; K380-I384 WeakPolarHBondContact O-CB 3.36Å; K380-I384 WeakPolarHBondContact O-CD1 3.25Å; K380-I384 WeakPolarHBondContact O-CG1 3.35Å; K380-I384 PolarHBondContact O-N 3.07Å; K380-A488 WeakPolarHBondContact CD-O 3.36Å; K380-A488 PolarHBondContact NZ-O 3.49Å; K380-I491 PolarHBondContact NZ-O 3.31Å; K380-C493 PolarHBondContact NZ-SG 3.39Å; K380-C493 VanDerWaalsContact NZ-SG 3.39Å; K380-L624 HydrophobicContact CD-CD1 4.02Å; K380-L624 HydrophobicContact CG-CD1 4.21Å
381R90.4Very high91.7Very high15 Ų1537.9 Ų37.96%0.05719%0.185CC..Hα-helixtrans-56.9-48177.3-89.8177.7176.31026112.4P377 E378 D379 I384 G385 P485 R568 E739P377-R381 WeakPolarHBondContact O-CB 3.29Å; P377-R381 WeakPolarHBondContact O-CG 3.49Å; P377-R381 PolarHBondContact O-N 2.77Å; E378-R381 VanDerWaalsContact O-CB 3.29Å; E378-R381 WeakPolarHBondContact O-CB 3.2Å; E378-R381 PolarHBondContact O-N 2.83Å; E378-R381 IonicContact OE1-CZ 3.81Å; E378-R381 IonicContact OE1-NH1 3.36Å; E378-R381 PolarHBondContact OE1-NH1 2.9Å; E378-R381 WeakPolarHBondContact OE2-CD 3.4Å; E378-R381 IonicContact OE2-NH1 2.8Å; D379-R381 VanDerWaalsContact C-N 3.34Å; D379-R381 PolarHBondContact O-N 2.96Å; R381-I384 PolarHBondContact O-N 3.45Å; R381-G385 PolarHBondContact O-N 3.03Å; R381-P485 HydrophobicContact CG-CG 3.55Å; R381-R568 VanDerWaalsContact CZ-CZ 3.49Å; R381-E739 IonicContact CZ-OE1 3.56Å; R381-E739 IonicContact CZ-OE2 3.76Å; R381-E739 IonicContact NH1-OE1 2.98Å; R381-E739 IonicContact NH1-OE2 2.83Å; R381-E739 PolarHBondContact NH1-OE2 2.91Å; R381-E739 IonicContact NH2-OE1 2.86Å; R381-E739 PolarHBondContact NH2-OE1 3.03Å; R381-E739 IonicContact NH2-OE2 3.64Å; R381-E739 PolarHBondContact NH2-OE2 2.7Å
382Q88.9Confident91.5Very high56 Ų5633.1 Ų33.126%0.26217%0.167SC..Hα-helixtrans-66.7-48.3-177.6-164.8-176.7-10.300110.7T284 M285 L286 I367 E378 D379 K380 I384 G385 D386T284-Q382 HydrophobicContact CG2-CB 4.41Å; T284-Q382 HydrophobicContact CG2-CG 3.97Å; M285-Q382 PolarHBondContact O-NE2 3.03Å; L286-Q382 VanDerWaalsContact CD1-OE1 3.3Å; I367-Q382 HydrophobicContact CD1-CB 4.41Å; E378-Q382 PolarHBondContact O-N 2.69Å; D379-Q382 PolarHBondContact O-N 2.9Å; K380-Q382 PolarHBondContact O-N 3.27Å; Q382-I384 VanDerWaalsContact C-N 3.32Å; Q382-I384 PolarHBondContact O-N 3.15Å; Q382-G385 PolarHBondContact O-N 3.1Å; Q382-D386 PolarHBondContact O-N 2.7Å
383I93.2Very high91.4Very high0 Ų034.1 Ų34.10%017%0.168CC..Hα-helixtrans-58.3-44.3176.6-67.8165.9000111.2G282 T284 I367 L370 T374 D379 T387G282-I383 VanDerWaalsContact C-CG2 3.46Å; G282-I383 VanDerWaalsContact O-CG2 3.29Å; G282-I383 WeakPolarHBondContact O-CG2 3.31Å; T284-I383 HydrophobicContact CG2-CB 4.48Å; T284-I383 HydrophobicContact CG2-CG1 3.77Å; I367-I383 HydrophobicContact CB-CD1 4.47Å; I367-I383 HydrophobicContact CD1-CD1 4.33Å; I367-I383 HydrophobicContact CD1-CG1 4.01Å; I367-I383 HydrophobicContact CG1-CD1 4.22Å; I367-I383 HydrophobicContact CG1-CG1 4.04Å; L370-I383 HydrophobicContact CB-CG2 4.05Å; L370-I383 HydrophobicContact CD1-CB 4.43Å; L370-I383 HydrophobicContact CD1-CD1 4.4Å; L370-I383 HydrophobicContact CD1-CG2 4.36Å; L370-I383 HydrophobicContact CD2-CG2 4.48Å; T374-I383 HydrophobicContact CG2-CD1 3.82Å; T374-I383 WeakPolarHBondContact OG1-CD1 3.39Å; D379-I383 WeakPolarHBondContact O-CB 3.37Å; D379-I383 VanDerWaalsContact O-CG1 3.26Å; D379-I383 WeakPolarHBondContact O-CG1 3.43Å; D379-I383 PolarHBondContact O-N 2.91Å; I383-T387 WeakPolarHBondContact O-CB 3.42Å; I383-T387 PolarHBondContact O-N 3.21Å; I383-T387 PolarHBondContact O-OG1 2.98Å
384I93.5Very high91.5Very high10 Ų1034.5 Ų34.55%0.05116%0.164CC..Hα-helixtrans-65.5-45.7178.5-71.3166.6000110.5F250 F279 L370 K380 R381 Q382 T387 F388 P485 A488F250-I384 HydrophobicContact CD2-CD1 4.19Å; F250-I384 HydrophobicContact CE2-CD1 4.15Å; F250-I384 HydrophobicContact CE2-CG1 4.3Å; F279-I384 HydrophobicContact CD1-CB 4.45Å; F279-I384 HydrophobicContact CD1-CG1 4.37Å; F279-I384 HydrophobicContact CD1-CG2 4.1Å; F279-I384 HydrophobicContact CE1-CG2 3.91Å; F279-I384 WeakPolarHBondContact CE1-O 3.43Å; L370-I384 HydrophobicContact CD2-CD1 4.06Å; L370-I384 HydrophobicContact CD2-CG1 3.68Å; K380-I384 VanDerWaalsContact O-CB 3.3Å; K380-I384 WeakPolarHBondContact O-CB 3.36Å; K380-I384 WeakPolarHBondContact O-CD1 3.25Å; K380-I384 WeakPolarHBondContact O-CG1 3.35Å; K380-I384 PolarHBondContact O-N 3.07Å; R381-I384 PolarHBondContact O-N 3.45Å; Q382-I384 VanDerWaalsContact C-N 3.32Å; Q382-I384 PolarHBondContact O-N 3.15Å; I384-T387 PolarHBondContact O-N 3.17Å; I384-F388 VanDerWaalsContact O-CB 3.3Å; I384-F388 WeakPolarHBondContact O-CB 3.44Å; I384-F388 PolarHBondContact O-N 2.78Å; I384-P485 HydrophobicContact CD1-CB 3.83Å; I384-A488 HydrophobicContact CD1-CB 3.61Å
385G90.4Very high91.3Very high8 Ų834.5 Ų34.58%0.08216%0.164CC..Hα-helixtrans-57.3-54.517700000111.6R381 Q382 T387 F388 V389R381-G385 PolarHBondContact O-N 3.03Å; Q382-G385 PolarHBondContact O-N 3.1Å; G385-T387 VanDerWaalsContact C-N 3.33Å; G385-T387 PolarHBondContact O-N 3.26Å; G385-F388 WeakPolarHBondContact O-CB 3.49Å; G385-F388 PolarHBondContact O-N 3.06Å; G385-F388 VanDerWaalsContact O-N 3.11Å; G385-V389 WeakPolarHBondContact O-CG2 3.41Å; G385-V389 PolarHBondContact O-N 2.79Å
386D90.7Very high91Very high53 Ų5333.5 Ų33.528%0.28316%0.158SC..Hα-helixtrans-66.2-36.5-177.9-65.5-20.7000112.2T284 Q382 F388 V389 R390T284-D386 VanDerWaalsContact CB-OD2 3.26Å; T284-D386 WeakPolarHBondContact CB-OD2 3.29Å; T284-D386 WeakPolarHBondContact CG2-OD2 3.46Å; T284-D386 PolarHBondContact OG1-OD2 3.44Å; Q382-D386 PolarHBondContact O-N 2.7Å; D386-F388 VanDerWaalsContact C-N 3.34Å; D386-V389 PolarHBondContact O-N 2.94Å; D386-R390 WeakPolarHBondContact O-CG 3.5Å; D386-R390 PolarHBondContact O-N 2.87Å
387T93.8Very high90.8Very high4 Ų434 Ų343%0.02517%0.169CC..Hα-helixtrans-66.3-39.2173.9-55.90000111.3F279 I383 I384 G385 V389 R390 V391F279-T387 HydrophobicContact CD1-CG2 3.98Å; F279-T387 HydrophobicContact CD2-CG2 4.18Å; F279-T387 HydrophobicContact CE1-CG2 4.19Å; F279-T387 HydrophobicContact CE2-CG2 4.37Å; F279-T387 HydrophobicContact CG-CG2 3.99Å; F279-T387 HydrophobicContact CZ-CG2 4.38Å; I383-T387 WeakPolarHBondContact O-CB 3.42Å; I383-T387 PolarHBondContact O-N 3.21Å; I383-T387 PolarHBondContact O-OG1 2.98Å; I384-T387 PolarHBondContact O-N 3.17Å; G385-T387 VanDerWaalsContact C-N 3.33Å; G385-T387 PolarHBondContact O-N 3.26Å; T387-V389 VanDerWaalsContact C-N 3.34Å; T387-R390 PolarHBondContact O-N 2.77Å; T387-R390 PolarHBondContact OG1-NH2 3.35Å; T387-V391 HydrophobicContact CG2-CG2 4.16Å; T387-V391 WeakPolarHBondContact O-CB 3.35Å; T387-V391 VanDerWaalsContact O-CG2 3.23Å; T387-V391 WeakPolarHBondContact O-CG2 3.23Å; T387-V391 PolarHBondContact O-N 2.74Å
388F92.5Very high90.9Very high35 Ų3540.4 Ų40.415%0.15420%0.198CC..Hα-helixtrans-61.4-43.6173.8-177.7-88.7000111.3L218 I246 F279 I384 G385 D386 R390 V391 A392L218-F388 HydrophobicContact CD1-CE1 4.05Å; L218-F388 HydrophobicContact CD1-CZ 4.05Å; I246-F388 HydrophobicContact CB-CE2 4.1Å; I246-F388 HydrophobicContact CD1-CD2 4.26Å; I246-F388 HydrophobicContact CD1-CE2 3.73Å; I246-F388 HydrophobicContact CD1-CZ 4.01Å; I246-F388 HydrophobicContact CG1-CE2 4.46Å; I246-F388 HydrophobicContact CG2-CD2 4.45Å; I246-F388 HydrophobicContact CG2-CE2 4.46Å; F279-F388 HydrophobicContact CE1-CB 3.97Å; F279-F388 HydrophobicContact CZ-CB 3.82Å; F279-F388 HydrophobicContact CZ-CD2 4.06Å; F279-F388 HydrophobicContact CZ-CG 4.44Å; I384-F388 VanDerWaalsContact O-CB 3.3Å; I384-F388 WeakPolarHBondContact O-CB 3.44Å; I384-F388 PolarHBondContact O-N 2.78Å; G385-F388 WeakPolarHBondContact O-CB 3.49Å; G385-F388 PolarHBondContact O-N 3.06Å; G385-F388 VanDerWaalsContact O-N 3.11Å; D386-F388 VanDerWaalsContact C-N 3.34Å; F388-R390 VanDerWaalsContact C-N 3.34Å; F388-R390 PolarHBondContact O-N 3.01Å; F388-V391 PolarHBondContact O-N 2.96Å; F388-A392 WeakPolarHBondContact O-CA 3.39Å; F388-A392 PolarHBondContact O-N 2.77Å
389V88.7Confident91Very high29 Ų2939.6 Ų39.618%0.17620%0.196CC..Hα-helixtrans-58.1-45.9175.2174.50000111.1G385 D386 T387 A392 Q393 T439G385-V389 WeakPolarHBondContact O-CG2 3.41Å; G385-V389 PolarHBondContact O-N 2.79Å; D386-V389 PolarHBondContact O-N 2.94Å; T387-V389 VanDerWaalsContact C-N 3.34Å; V389-A392 WeakPolarHBondContact O-CA 3.48Å; V389-A392 PolarHBondContact O-N 2.98Å; V389-Q393 PolarHBondContact O-N 3.37Å; V389-T439 HydrophobicContact CB-CG2 4.1Å; V389-T439 HydrophobicContact CG1-CG2 3.84Å; V389-T439 HydrophobicContact CG2-CG2 4.02Å
390R91.3Very high90.9Very high92 Ų9246.2 Ų46.235%0.34723%0.226SC..Hα-helixtrans-68-39.6178.3-70.2-174.3-61.3-1047.3114T283 D386 T387 F388 A392 Q393 E394T283-R390 PolarHBondContact O-NH1 2.79Å; T283-R390 PolarHBondContact O-NH2 2.86Å; D386-R390 WeakPolarHBondContact O-CG 3.5Å; D386-R390 PolarHBondContact O-N 2.87Å; T387-R390 PolarHBondContact O-N 2.77Å; T387-R390 PolarHBondContact OG1-NH2 3.35Å; F388-R390 VanDerWaalsContact C-N 3.34Å; F388-R390 PolarHBondContact O-N 3.01Å; R390-A392 VanDerWaalsContact C-N 3.34Å; R390-Q393 VanDerWaalsContact O-CA 3.24Å; R390-Q393 WeakPolarHBondContact O-CA 3.44Å; R390-Q393 PolarHBondContact O-N 2.92Å; R390-E394 PolarHBondContact O-N 3.24Å
391V93.8Very high90.5Very high0 Ų047.6 Ų47.60%023%0.233CC..Hα-helixtrans-65.5-46.2175.2172.50000109I246 I273 A275 R278 F279 T387 F388 Q393 E394 V395I246-V391 HydrophobicContact CD1-CG1 4.16Å; I246-V391 HydrophobicContact CG1-CG1 4.4Å; I246-V391 HydrophobicContact CG2-CG1 3.82Å; I273-V391 HydrophobicContact CG2-CG1 4.07Å; A275-V391 HydrophobicContact CB-CG1 3.87Å; A275-V391 HydrophobicContact CB-CG2 4.02Å; R278-V391 HydrophobicContact CB-CG2 4.48Å; R278-V391 VanDerWaalsContact CZ-CG2 3.48Å; F279-V391 HydrophobicContact CE2-CG2 3.94Å; F279-V391 HydrophobicContact CZ-CG2 4.49Å; T387-V391 HydrophobicContact CG2-CG2 4.16Å; T387-V391 WeakPolarHBondContact O-CB 3.35Å; T387-V391 VanDerWaalsContact O-CG2 3.23Å; T387-V391 WeakPolarHBondContact O-CG2 3.23Å; T387-V391 PolarHBondContact O-N 2.74Å; F388-V391 PolarHBondContact O-N 2.96Å; V391-Q393 PolarHBondContact O-N 3.33Å; V391-E394 PolarHBondContact O-N 2.64Å; V391-V395 HydrophobicContact CG1-CG2 4.44Å; V391-V395 VanDerWaalsContact O-CG2 3.27Å; V391-V395 WeakPolarHBondContact O-CG2 3.31Å; V391-V395 PolarHBondContact O-N 3.04Å; V391-V395 VanDerWaalsContact O-N 3.14Å
392A90.3Very high90.2Very high1 Ų150.3 Ų50.31%0.00825%0.248CC..Hα-helixtrans-34.3-72.5162.200000111.1I246 F388 V389 R390 E394 V395 W396I246-A392 HydrophobicContact CD1-CB 3.4Å; I246-A392 VanDerWaalsContact CD1-CB 3.4Å; F388-A392 WeakPolarHBondContact O-CA 3.39Å; F388-A392 PolarHBondContact O-N 2.77Å; V389-A392 WeakPolarHBondContact O-CA 3.48Å; V389-A392 PolarHBondContact O-N 2.98Å; R390-A392 VanDerWaalsContact C-N 3.34Å; A392-E394 VanDerWaalsContact C-N 3.29Å; A392-E394 PolarHBondContact O-N 3.13Å; A392-E394 VanDerWaalsContact O-N 3.1Å; A392-V395 HydrophobicContact CB-CB 4.35Å; A392-V395 WeakPolarHBondContact O-CB 3.49Å; A392-V395 PolarHBondContact O-N 2.97Å; A392-W396 VanDerWaalsContact CA-CH2 3.5Å; A392-W396 HydrophobicContact CB-CD2 4.4Å; A392-W396 HydrophobicContact CB-CE3 4.05Å; A392-W396 HydrophobicContact CB-CH2 3.3Å; A392-W396 HydrophobicContact CB-CZ2 3.81Å; A392-W396 HydrophobicContact CB-CZ3 3.5Å; A392-W396 VanDerWaalsContact O-CD2 3.23Å; A392-W396 WeakPolarHBondContact O-CZ3 3.42Å; A392-W396 PolarHBondContact O-N 3.22Å
393Q88.5Confident89.8Confident74 Ų7450.1 Ų50.135%0.34625%0.252SS..Hα-helixtrans-1.4-73.8159.7-93.9-178.7-35.200118.6V389 R390 V391 W396 T397V389-Q393 PolarHBondContact O-N 3.37Å; R390-Q393 VanDerWaalsContact O-CA 3.24Å; R390-Q393 WeakPolarHBondContact O-CA 3.44Å; R390-Q393 PolarHBondContact O-N 2.92Å; V391-Q393 PolarHBondContact O-N 3.33Å; Q393-W396 HydrophobicContact CB-CE3 4.17Å; Q393-W396 HydrophobicContact CB-CZ3 4.48Å; Q393-W396 HydrophobicContact CG-CE3 4.02Å; Q393-T397 PolarHBondContact O-N 3.41Å; Q393-T397 PolarHBondContact O-OG1 2.92Å; Q393-T397 VanDerWaalsContact O-OG1 3.13Å
394E91.5Very high89.4Confident95 Ų9554.4 Ų54.444%0.44428%0.282SS..Hα-helixtrans-82-37.5-168.2-67.7166.1-153.800110.5R278 R390 V391 A392 W396 T397 E398R278-E394 IonicContact CZ-OE1 2.62Å; R278-E394 IonicContact CZ-OE2 3.59Å; R278-E394 IonicContact NH1-OE1 2.92Å; R278-E394 IonicContact NH1-OE2 2.54Å; R278-E394 PolarHBondContact NH1-OE2 3.06Å; R278-E394 IonicContact NH2-OE1 3.96Å; R278-E394 PolarHBondContact NH2-OE1 2.98Å; R278-E394 IonicContact NH2-OE2 2.67Å; R278-E394 PolarHBondContact NH2-OE2 3.43Å; R390-E394 PolarHBondContact O-N 3.24Å; V391-E394 PolarHBondContact O-N 2.64Å; A392-E394 VanDerWaalsContact C-N 3.29Å; A392-E394 PolarHBondContact O-N 3.13Å; A392-E394 VanDerWaalsContact O-N 3.1Å; E394-W396 PolarHBondContact O-N 3.43Å; E394-T397 CarbonylContact O-C 3.57Å; E394-T397 WeakPolarHBondContact O-CB 3.48Å; E394-T397 PolarHBondContact O-N 3.32Å; E394-E398 WeakPolarHBondContact O-CB 3.44Å; E394-E398 PolarHBondContact O-N 3.48Å
395V91.6Very high89.1Confident5 Ų556 Ų563%0.0329%0.294CS..Hα-helixtrans-59.9-38.6173.6177.40000110.3V244 I273 V391 A392 T397 E398 L399V244-V395 HydrophobicContact CG1-CG1 3.94Å; V244-V395 HydrophobicContact CG2-CG1 4.3Å; I273-V395 HydrophobicContact CB-CG2 4.3Å; I273-V395 HydrophobicContact CD1-CG1 4.19Å; I273-V395 HydrophobicContact CD1-CG2 3.88Å; I273-V395 HydrophobicContact CG1-CG1 4.17Å; I273-V395 HydrophobicContact CG1-CG2 3.64Å; I273-V395 HydrophobicContact CG2-CG2 3.87Å; V391-V395 HydrophobicContact CG1-CG2 4.44Å; V391-V395 VanDerWaalsContact O-CG2 3.27Å; V391-V395 WeakPolarHBondContact O-CG2 3.31Å; V391-V395 PolarHBondContact O-N 3.04Å; V391-V395 VanDerWaalsContact O-N 3.14Å; A392-V395 HydrophobicContact CB-CB 4.35Å; A392-V395 WeakPolarHBondContact O-CB 3.49Å; A392-V395 PolarHBondContact O-N 2.97Å; V395-T397 VanDerWaalsContact C-N 3.34Å; V395-T397 PolarHBondContact O-N 3.34Å; V395-E398 PolarHBondContact O-N 2.86Å; V395-L399 HydrophobicContact CG1-CD1 3.77Å; V395-L399 HydrophobicContact CG1-CG 4.2Å; V395-L399 VanDerWaalsContact O-CB 3.3Å; V395-L399 WeakPolarHBondContact O-CB 3.33Å; V395-L399 VanDerWaalsContact O-CG 3.26Å; V395-L399 WeakPolarHBondContact O-CG 3.32Å; V395-L399 PolarHBondContact O-N 3.26Å
396W87.4Confident89.2Confident19 Ų1955.8 Ų55.87%0.07229%0.291CS..Hα-helixtrans-61.4-42.9173.1-73.8-67.8000112.8L216 L218 A392 Q393 E394 Q400 L401 T439 L441L216-W396 HydrophobicContact CD2-CZ2 4.2Å; L218-W396 HydrophobicContact CD1-CZ2 4.28Å; L218-W396 HydrophobicContact CD2-CZ2 4.37Å; A392-W396 VanDerWaalsContact CA-CH2 3.5Å; A392-W396 HydrophobicContact CB-CD2 4.4Å; A392-W396 HydrophobicContact CB-CE3 4.05Å; A392-W396 HydrophobicContact CB-CH2 3.3Å; A392-W396 HydrophobicContact CB-CZ2 3.81Å; A392-W396 HydrophobicContact CB-CZ3 3.5Å; A392-W396 VanDerWaalsContact O-CD2 3.23Å; A392-W396 WeakPolarHBondContact O-CZ3 3.42Å; A392-W396 PolarHBondContact O-N 3.22Å; Q393-W396 HydrophobicContact CB-CE3 4.17Å; Q393-W396 HydrophobicContact CB-CZ3 4.48Å; Q393-W396 HydrophobicContact CG-CE3 4.02Å; E394-W396 PolarHBondContact O-N 3.43Å; W396-Q400 PolarHBondContact O-N 3.07Å; W396-L401 VanDerWaalsContact CD1-CD1 3.48Å; W396-L401 HydrophobicContact CG-CD1 4.49Å; W396-L401 PolarHBondContact O-N 2.67Å; W396-T439 HydrophobicContact CH2-CG2 3.36Å; W396-T439 WeakPolarHBondContact CH2-OG1 3.25Å; W396-T439 HydrophobicContact CZ3-CG2 3.49Å; W396-T439 VanDerWaalsContact CZ3-CG2 3.49Å; W396-T439 WeakPolarHBondContact CZ3-OG1 3.49Å; W396-L441 HydrophobicContact CD2-CD2 3.97Å; W396-L441 HydrophobicContact CG-CD2 3.74Å
397T88.6Confident89.3Confident109 Ų10953.8 Ų53.867%0.66928%0.28SS*.Hα-helixtrans-68.1-42.8179.9-54.60000110.9Q393 E394 V395 Q400Q393-T397 PolarHBondContact O-N 3.41Å; Q393-T397 PolarHBondContact O-OG1 2.92Å; Q393-T397 VanDerWaalsContact O-OG1 3.13Å; E394-T397 CarbonylContact O-C 3.57Å; E394-T397 WeakPolarHBondContact O-CB 3.48Å; E394-T397 PolarHBondContact O-N 3.32Å; V395-T397 VanDerWaalsContact C-N 3.34Å; V395-T397 PolarHBondContact O-N 3.34Å; T397-Q400 PolarHBondContact O-N 3.23Å
398E91.7Very high89.2Confident143 Ų14353.9 Ų53.967%0.66828%0.28SS*.Hα-helixtrans-64.1-42.9178.2-174.9-176.3167.400111.8E394 V395 Q400E394-E398 WeakPolarHBondContact O-CB 3.44Å; E394-E398 PolarHBondContact O-N 3.48Å; V395-E398 PolarHBondContact O-N 2.86Å; E398-Q400 PolarHBondContact O-N 3.49Å
399L90.7Very high89.3Confident48 Ų4852.5 Ų52.525%0.25128%0.275SS..THydrogen-bonded Turntrans-78.2-1.1177.8-65.8179.9000113.6I242 V244 V395 L401I242-L399 HydrophobicContact CG2-CD1 4.2Å; V244-L399 HydrophobicContact CG2-CD1 3.98Å; V395-L399 HydrophobicContact CG1-CD1 3.77Å; V395-L399 HydrophobicContact CG1-CG 4.2Å; V395-L399 VanDerWaalsContact O-CB 3.3Å; V395-L399 WeakPolarHBondContact O-CB 3.33Å; V395-L399 VanDerWaalsContact O-CG 3.26Å; V395-L399 WeakPolarHBondContact O-CG 3.32Å; V395-L399 PolarHBondContact O-N 3.26Å; L399-L401 HydrophobicContact CB-CD1 4.19Å; L399-L401 HydrophobicContact CB-CD2 3.87Å; L399-L401 HydrophobicContact CB-CG 3.73Å; L399-L401 HydrophobicContact CD1-CD1 4.35Å; L399-L401 PolarHBondContact O-N 2.74Å
400Q89.1Confident89.3Confident175 Ų17553 Ų5382%0.81828%0.275SS*.THydrogen-bonded Turntrans50.644.1178.8-59.5-178.7-2400112.5W396 T397 E398 D402W396-Q400 PolarHBondContact O-N 3.07Å; T397-Q400 PolarHBondContact O-N 3.23Å; E398-Q400 PolarHBondContact O-N 3.49Å; Q400-D402 PolarHBondContact O-N 2.6Å
401L85.1Confident89.1Confident28 Ų2849.9 Ų49.915%0.14727%0.273CS..  trans-75.7121.9-175.3-58.8-177.2000110.7L216 I242 W396 L399 P403 L406L216-L401 HydrophobicContact CD1-CD1 4.37Å; I242-L401 HydrophobicContact CD1-CD2 3.37Å; W396-L401 VanDerWaalsContact CD1-CD1 3.48Å; W396-L401 HydrophobicContact CG-CD1 4.49Å; W396-L401 PolarHBondContact O-N 2.67Å; L399-L401 HydrophobicContact CB-CD1 4.19Å; L399-L401 HydrophobicContact CB-CD2 3.87Å; L399-L401 HydrophobicContact CB-CG 3.73Å; L399-L401 HydrophobicContact CD1-CD1 4.35Å; L399-L401 PolarHBondContact O-N 2.74Å; L401-P403 WeakPolarHBondContact O-CD 3.47Å; L401-L406 HydrophobicContact CB-CD2 4.12Å; L401-L406 HydrophobicContact CD1-CD2 4.17Å
402D84Confident88.7Confident72 Ų7251.2 Ų51.239%0.38528%0.28SS..  trans-83.3115.5176.9163.433.9000111Q400 S404 S405 L406Q400-D402 PolarHBondContact O-N 2.6Å; D402-S404 VanDerWaalsContact CG-OG 3.25Å; D402-S404 PolarHBondContact O-N 3.26Å; D402-S404 VanDerWaalsContact O-N 3.1Å; D402-S404 WeakPolarHBondContact OD1-CB 3.18Å; D402-S404 PolarHBondContact OD1-N 2.68Å; D402-S404 PolarHBondContact OD1-OG 3.39Å; D402-S404 PolarHBondContact OD2-OG 3.1Å; D402-S405 WeakPolarHBondContact CB-OG 3.28Å; D402-S405 PolarHBondContact O-N 2.69Å; D402-S405 VanDerWaalsContact O-N 3.15Å; D402-S405 PolarHBondContact O-OG 2.68Å; D402-S405 WeakPolarHBondContact OD2-CB 3.43Å; D402-S405 PolarHBondContact OD2-N 2.92Å; D402-S405 PolarHBondContact OD2-OG 3.45Å; D402-L406 VanDerWaalsContact O-CB 3.25Å; D402-L406 WeakPolarHBondContact O-CB 3.44Å; D402-L406 PolarHBondContact O-N 2.66Å
403P80.4Confident88.4Confident53 Ų5351.8 Ų51.834%0.34428%0.283SS..THydrogen-bonded Turntrans-60.7-20.7179.6-22.534.4000114.1L401 L441 R450L401-P403 WeakPolarHBondContact O-CD 3.47Å; P403-L441 HydrophobicContact CB-CD1 3.99Å; P403-L441 HydrophobicContact CG-CD1 3.97Å; P403-R450 PolarHBondContact O-NH1 3.46Å
404S84.5Confident88Confident89 Ų8949.8 Ų49.862%0.62227%0.273SS*.THydrogen-bonded Turntrans-78.2-24.1179.688.50000113.5D402 R450D402-S404 VanDerWaalsContact CG-OG 3.25Å; D402-S404 PolarHBondContact O-N 3.26Å; D402-S404 VanDerWaalsContact O-N 3.1Å; D402-S404 WeakPolarHBondContact OD1-CB 3.18Å; D402-S404 PolarHBondContact OD1-N 2.68Å; D402-S404 PolarHBondContact OD1-OG 3.39Å; D402-S404 PolarHBondContact OD2-OG 3.1Å; S404-R450 PolarHBondContact O-NH1 3.42Å; S404-R450 PolarHBondContact O-NH2 3.47Å
405S86.9Confident87.1Confident44 Ų4446.8 Ų46.831%0.30826%0.261SS..THydrogen-bonded Turntrans-113.6-3.3-179.358.30000114.2N213 K214 D402N213-S405 WeakPolarHBondContact CB-O 3.5Å; K214-S405 PolarHBondContact N-O 3.29Å; D402-S405 WeakPolarHBondContact CB-OG 3.28Å; D402-S405 PolarHBondContact O-N 2.69Å; D402-S405 VanDerWaalsContact O-N 3.15Å; D402-S405 PolarHBondContact O-OG 2.68Å; D402-S405 WeakPolarHBondContact OD2-CB 3.43Å; D402-S405 PolarHBondContact OD2-N 2.92Å; D402-S405 PolarHBondContact OD2-OG 3.45Å
406L91.4Very high86.3Confident3 Ų349 Ų492%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-98.2128.5179.1-166.174.6000116.3K214 L216 I242 L401 D402 L441 L445 R450K214-L406 HydrophobicContact CB-CD1 4.16Å; K214-L406 CarbonylContact O-C 3.52Å; L216-L406 HydrophobicContact CB-CD1 4.01Å; L216-L406 HydrophobicContact CB-CD2 4.17Å; L216-L406 HydrophobicContact CB-CG 4.22Å; L216-L406 HydrophobicContact CD2-CD2 4.2Å; I242-L406 HydrophobicContact CD1-CD1 3.95Å; L401-L406 HydrophobicContact CB-CD2 4.12Å; L401-L406 HydrophobicContact CD1-CD2 4.17Å; D402-L406 VanDerWaalsContact O-CB 3.25Å; D402-L406 WeakPolarHBondContact O-CB 3.44Å; D402-L406 PolarHBondContact O-N 2.66Å; L406-L441 HydrophobicContact CD2-CD2 4.18Å; L406-L445 HydrophobicContact CD2-CD1 4.36Å; L406-L445 VanDerWaalsContact O-CD2 3.28Å; L406-L445 WeakPolarHBondContact O-CD2 3.33Å; L406-R450 VanDerWaalsContact O-CZ 3.23Å; L406-R450 PolarHBondContact O-NH1 2.75Å
407M93.4Very high85.5Confident12 Ų1251.2 Ų51.26%0.05929%0.286CS..EExtended strand (participates in β ladder)trans-102.5156.8165.8-62.8-170.976.300111.5A209 V210 N213 K214 I215 L216 R450 V452A209-M407 VanDerWaalsContact O-CE 3.31Å; A209-M407 WeakPolarHBondContact O-CE 3.38Å; V210-M407 VanDerWaalsContact CA-SD 3.55Å; V210-M407 HydrophobicContact CB-SD 4.32Å; V210-M407 HydrophobicContact CG2-SD 4.24Å; N213-M407 HydrophobicContact CB-CG 3.94Å; N213-M407 HydrophobicContact CB-SD 4.08Å; K214-M407 PolarHBondContact O-N 2.9Å; I215-M407 CarbonylContact C-O 3.52Å; I215-M407 WeakPolarHBondContact CA-O 3.43Å; I215-M407 HydrophobicContact CG1-CB 4.33Å; L216-M407 PolarHBondContact N-O 2.74Å; M407-R450 WeakPolarHBondContact CA-O 3.2Å; M407-R450 HydrophobicContact CG-CB 4.46Å; M407-V452 HydrophobicContact CE-CG2 3.56Å; M407-V452 HydrophobicContact SD-CG2 4.49Å
408L92.5Very high84.4Confident5 Ų546.9 Ų46.93%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-109.1128.5175.717970.5000110.4L216 Q410 V442 L445 R450 V451 V452L216-L408 HydrophobicContact CD2-CD1 4.12Å; L216-L408 HydrophobicContact CG-CD1 4.33Å; L408-Q410 HydrophobicContact CD2-CG 3.72Å; L408-Q410 HydrophobicContact CG-CG 3.9Å; L408-V442 HydrophobicContact CD2-CB 4.19Å; L408-V442 HydrophobicContact CD2-CG1 3.8Å; L408-V442 HydrophobicContact CD2-CG2 3.82Å; L408-L445 HydrophobicContact CB-CD1 3.83Å; L408-R450 PolarHBondContact N-O 3.42Å; L408-V451 HydrophobicContact CB-CG2 4.32Å; L408-V451 HydrophobicContact CD2-CG2 4.29Å; L408-V451 CarbonylContact O-C 3.58Å; L408-V451 WeakPolarHBondContact O-CA 3.46Å; L408-V452 PolarHBondContact O-N 3.14Å
409C93.7Very high83.1Confident6 Ų642.3 Ų42.34%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-91.4124.3167.4-173.20000110I215 L216 I217 L232 V452I215-C409 HydrophobicContact CD1-CB 3.79Å; I215-C409 HydrophobicContact CG1-CB 3.94Å; L216-C409 WeakPolarHBondContact O-CB 3.39Å; L216-C409 PolarHBondContact O-N 3.11Å; I217-C409 HydrophobicContact CB-CB 4.03Å; I217-C409 HydrophobicContact CD1-CB 4.34Å; I217-C409 HydrophobicContact CG1-CB 4.2Å; L232-C409 HydrophobicContact CD1-CB 3.89Å; C409-V452 WeakPolarHBondContact CA-O 3.34Å
410Q89.1Confident81.7Confident39 Ų3943.1 Ų43.118%0.18225%0.247CC..  trans-117134.7172.3-61.5-168.8-7300110.2L408 T412 Q446 V451 V452 E453 P454L408-Q410 HydrophobicContact CD2-CG 3.72Å; L408-Q410 HydrophobicContact CG-CG 3.9Å; Q410-T412 PolarHBondContact O-N 2.98Å; Q410-T412 VanDerWaalsContact O-N 3.09Å; Q410-Q446 VanDerWaalsContact OE1-NE2 3.15Å; Q410-V451 HydrophobicContact CB-CG1 4.33Å; Q410-V451 HydrophobicContact CG-CG1 3.93Å; Q410-V451 VanDerWaalsContact OE1-CG1 3.3Å; Q410-V452 PolarHBondContact N-O 3.01Å; Q410-E453 HydrophobicContact CB-CG 4.4Å; Q410-E453 WeakPolarHBondContact O-CA 3.47Å; Q410-P454 WeakPolarHBondContact O-CD 3.37Å
411G86.7Confident80.1Confident28 Ų2837.2 Ų37.229%0.28923%0.228SC..  trans-81.534.917600000113.6C228 L413C228-G411 WeakPolarHBondContact SG-CA 3.4Å; G411-L413 PolarHBondContact O-N 3.03Å
412T84.6Confident78.5Confident27 Ų2737.4 Ų37.417%0.16623%0.232CC..  trans-59.9125.5178.6-47.70000109.4Q410 D416 L417 E453 L455 S456Q410-T412 PolarHBondContact O-N 2.98Å; Q410-T412 VanDerWaalsContact O-N 3.09Å; T412-D416 HydrophobicContact CG2-CB 4Å; T412-L417 HydrophobicContact CG2-CD2 3.81Å; T412-L417 HydrophobicContact CG2-CG 4Å; T412-E453 WeakPolarHBondContact CB-OE1 3.35Å; T412-E453 WeakPolarHBondContact CG2-OE1 3.39Å; T412-E453 PolarHBondContact OG1-OE1 3.11Å; T412-L455 CarbonylContact O-C 3.52Å; T412-S456 PolarHBondContact O-N 3.33Å; T412-S456 VanDerWaalsContact O-N 3.15Å
413L84Confident76.9Confident13 Ų1336.4 Ų36.47%0.06823%0.226CC..  trans-92.6160.5179.2-56.8-177.1000110.8D224 G411 D416 L417 L455 K460 V463D224-L413 HydrophobicContact CB-CD2 4.48Å; G411-L413 PolarHBondContact O-N 3.03Å; L413-D416 WeakPolarHBondContact CB-OD2 3.37Å; L413-D416 PolarHBondContact N-OD2 2.98Å; L413-D416 WeakPolarHBondContact O-CB 3.49Å; L413-D416 PolarHBondContact O-N 3.1Å; L413-L417 PolarHBondContact O-N 2.75Å; L413-L455 HydrophobicContact CD2-CB 3.64Å; L413-L455 HydrophobicContact CD2-CD1 3.8Å; L413-L455 HydrophobicContact CD2-CG 4.38Å; L413-K460 HydrophobicContact CD1-CD 3.89Å; L413-V463 HydrophobicContact CD2-CG2 3.75Å
414R81.3Confident75.2Confident33 Ų3341.4 Ų41.413%0.12525%0.249CC..Hα-helixtrans-53.3-44.1174.8-174.9176.7176.879.11.5113.7D18 R22 S28 D416 L417 I418 S456 D457 F458D18-R414 IonicContact OD1-CZ 3.78Å; D18-R414 IonicContact OD1-NE 3.69Å; D18-R414 IonicContact OD1-NH2 2.76Å; D18-R414 PolarHBondContact OD1-NH2 2.88Å; D18-R414 IonicContact OD2-CZ 2.89Å; D18-R414 IonicContact OD2-NE 3.95Å; D18-R414 PolarHBondContact OD2-NE 3.21Å; D18-R414 IonicContact OD2-NH2 3.72Å; R22-R414 VanDerWaalsContact NH2-NH2 3.16Å; S28-R414 PolarHBondContact O-NH2 2.99Å; R414-D416 PolarHBondContact O-N 3.19Å; R414-L417 PolarHBondContact O-N 3.32Å; R414-I418 HydrophobicContact CG-CD1 4.02Å; R414-I418 WeakPolarHBondContact O-CG1 3.35Å; R414-I418 PolarHBondContact O-N 3.43Å; R414-S456 VanDerWaalsContact CA-O 3.28Å; R414-S456 WeakPolarHBondContact CA-O 3.25Å; R414-S456 VanDerWaalsContact CB-O 3.25Å; R414-S456 WeakPolarHBondContact CB-O 3.39Å; R414-D457 IonicContact NH1-OD1 3.63Å; R414-F458 WeakPolarHBondContact CB-O 3.45Å; R414-F458 PolarHBondContact N-O 3.31Å
415P73.3Confident73.2Confident31 Ų3141.5 Ų41.520%0.20125%0.246CC..Hα-helixtrans-60-28.4176.2-26.837.7000114.7K15 E419K15-P415 HydrophobicContact CD-CB 4.3Å; K15-P415 WeakPolarHBondContact CE-O 3.47Å; K15-P415 PolarHBondContact NZ-O 2.95Å; P415-E419 PolarHBondContact O-N 2.74Å; P415-E419 VanDerWaalsContact O-N 3.13Å
416D73.4Confident71.1Confident52 Ų5241.6 Ų41.628%0.27825%0.247SC..Hα-helixtrans-73.4-37.7178.3-58-48.5000110.9T412 L413 R414 E419 S420 K433T412-D416 HydrophobicContact CG2-CB 4Å; L413-D416 WeakPolarHBondContact CB-OD2 3.37Å; L413-D416 PolarHBondContact N-OD2 2.98Å; L413-D416 WeakPolarHBondContact O-CB 3.49Å; L413-D416 PolarHBondContact O-N 3.1Å; R414-D416 PolarHBondContact O-N 3.19Å; D416-E419 WeakPolarHBondContact O-CB 3.42Å; D416-E419 PolarHBondContact O-N 3.22Å; D416-S420 PolarHBondContact O-N 2.92Å; D416-S420 PolarHBondContact O-OG 2.67Å; D416-K433 IonicContact OD1-NZ 3.5Å
417L70.8Confident68.4Low65 Ų6551.2 Ų51.234%0.3429%0.292SS..Hα-helixtrans-67.7-40.9175-64.4178.6000111.8T412 L413 R414 E419 S420 A421T412-L417 HydrophobicContact CG2-CD2 3.81Å; T412-L417 HydrophobicContact CG2-CG 4Å; L413-L417 PolarHBondContact O-N 2.75Å; R414-L417 PolarHBondContact O-N 3.32Å; L417-E419 VanDerWaalsContact C-N 3.31Å; L417-E419 PolarHBondContact O-N 3.05Å; L417-S420 PolarHBondContact O-N 3.27Å; L417-A421 WeakPolarHBondContact O-CB 3.34Å; L417-A421 PolarHBondContact O-N 2.75Å
418I66.7Low65.7Low18 Ų1859.5 Ų59.59%0.09232%0.322CS..Hα-helixtrans-61.8-41.7175.1-63.9162.6000110.4K15 M30 R414 A421 S422K15-I418 HydrophobicContact CD-CG2 4.33Å; K15-I418 HydrophobicContact CG-CB 4.36Å; K15-I418 HydrophobicContact CG-CD1 4.42Å; K15-I418 HydrophobicContact CG-CG2 3.8Å; M30-I418 HydrophobicContact CE-CG2 3.77Å; M30-I418 HydrophobicContact SD-CD1 3.82Å; M30-I418 HydrophobicContact SD-CG1 4.19Å; M30-I418 HydrophobicContact SD-CG2 3.6Å; M30-I418 VanDerWaalsContact SD-CG2 3.6Å; R414-I418 HydrophobicContact CG-CD1 4.02Å; R414-I418 WeakPolarHBondContact O-CG1 3.35Å; R414-I418 PolarHBondContact O-N 3.43Å; I418-A421 PolarHBondContact O-N 2.71Å; I418-S422 PolarHBondContact O-N 3.09Å; I418-S422 PolarHBondContact O-OG 2.76Å
419E63.8Low63Low48 Ų4861 Ų6122%0.22434%0.335CS..Hα-helixtrans-61-45.3176.6-151.6167.7141.200112.1K15 P415 D416 L417 A421 S422 N423 K433K15-E419 VanDerWaalsContact NZ-CB 3.29Å; K15-E419 IonicContact NZ-OE2 2.83Å; K15-E419 PolarHBondContact NZ-OE2 3.3Å; K15-E419 VanDerWaalsContact NZ-OE2 3.08Å; P415-E419 PolarHBondContact O-N 2.74Å; P415-E419 VanDerWaalsContact O-N 3.13Å; D416-E419 WeakPolarHBondContact O-CB 3.42Å; D416-E419 PolarHBondContact O-N 3.22Å; L417-E419 VanDerWaalsContact C-N 3.31Å; L417-E419 PolarHBondContact O-N 3.05Å; E419-A421 VanDerWaalsContact C-N 3.32Å; E419-A421 PolarHBondContact O-N 2.91Å; E419-S422 WeakPolarHBondContact CA-OG 3.28Å; E419-S422 PolarHBondContact O-N 3Å; E419-S422 PolarHBondContact O-OG 2.72Å; E419-N423 VanDerWaalsContact O-CG 3.26Å; E419-N423 PolarHBondContact O-N 2.73Å; E419-N423 VanDerWaalsContact O-N 3.09Å; E419-N423 PolarHBondContact O-OD1 3.36Å; E419-N423 VanDerWaalsContact O-OD1 3.11Å; E419-K433 IonicContact OE2-NZ 3.59Å
420S61.1Low60.1Low64 Ų6465.8 Ų65.845%0.44836%0.36SS..Hα-helixtrans-65.6-37.7179.9-55.50000111.5D416 L417D416-S420 PolarHBondContact O-N 2.92Å; D416-S420 PolarHBondContact O-OG 2.67Å; L417-S420 PolarHBondContact O-N 3.27Å
421A54.3Low57.4Low52 Ų5268 Ų6843%0.4338%0.376SS..Hα-helixtrans-69.9-39.1174.800000112.4L417 I418 E419 N423 L424 V425L417-A421 WeakPolarHBondContact O-CB 3.34Å; L417-A421 PolarHBondContact O-N 2.75Å; I418-A421 PolarHBondContact O-N 2.71Å; E419-A421 VanDerWaalsContact C-N 3.32Å; E419-A421 PolarHBondContact O-N 2.91Å; A421-N423 VanDerWaalsContact C-N 3.32Å; A421-N423 PolarHBondContact O-N 2.88Å; A421-L424 WeakPolarHBondContact O-CB 3.47Å; A421-L424 PolarHBondContact O-N 3.26Å; A421-V425 WeakPolarHBondContact O-CG2 3.34Å; A421-V425 PolarHBondContact O-N 2.87Å
422S51.8Low55.2Low32 Ų3270.5 Ų70.522%0.22438%0.383CS..Hα-helixtrans-66.3-32.7177.855.70000112.7I418 E419 L424 V425 S426I418-S422 PolarHBondContact O-N 3.09Å; I418-S422 PolarHBondContact O-OG 2.76Å; E419-S422 WeakPolarHBondContact CA-OG 3.28Å; E419-S422 PolarHBondContact O-N 3Å; E419-S422 PolarHBondContact O-OG 2.72Å; S422-L424 VanDerWaalsContact C-N 3.27Å; S422-L424 PolarHBondContact O-N 3.17Å; S422-V425 PolarHBondContact O-N 3.47Å; S422-V425 VanDerWaalsContact O-N 3.16Å; S422-S426 WeakPolarHBondContact O-CB 3.32Å; S422-S426 PolarHBondContact O-N 2.88Å; S422-S426 PolarHBondContact O-OG 2.76Å
423N50.1Low53.1Low51 Ų5174.6 Ų74.627%0.27340%0.398SS..Hα-helixtrans-68-27.6176.2-664.1000112.4E419 A421 V425 A429E419-N423 VanDerWaalsContact O-CG 3.26Å; E419-N423 PolarHBondContact O-N 2.73Å; E419-N423 VanDerWaalsContact O-N 3.09Å; E419-N423 PolarHBondContact O-OD1 3.36Å; E419-N423 VanDerWaalsContact O-OD1 3.11Å; A421-N423 VanDerWaalsContact C-N 3.32Å; A421-N423 PolarHBondContact O-N 2.88Å; N423-V425 VanDerWaalsContact C-N 3.31Å; N423-A429 WeakPolarHBondContact OD1-CB 3.33Å
424L46.4Very low51.1Low157 Ų15777.6 Ų77.682%0.82242%0.417SS*.Hα-helixtrans-72.8-25.3173.7-69.7166.3000112.6A421 S422A421-L424 WeakPolarHBondContact O-CB 3.47Å; A421-L424 PolarHBondContact O-N 3.26Å; S422-L424 VanDerWaalsContact C-N 3.27Å; S422-L424 PolarHBondContact O-N 3.17Å
425V42.4Very low49.3Very low91 Ų9182.8 Ų82.855%0.55244%0.442SS*.Hα-helixtrans-99.1-37.5-175.2-178.90000111.7P32 A421 S422 N423P32-V425 HydrophobicContact CB-CG1 4.26Å; P32-V425 HydrophobicContact CG-CG2 3.98Å; A421-V425 WeakPolarHBondContact O-CG2 3.34Å; A421-V425 PolarHBondContact O-N 2.87Å; S422-V425 PolarHBondContact O-N 3.47Å; S422-V425 VanDerWaalsContact O-N 3.16Å; N423-V425 VanDerWaalsContact C-N 3.31Å
426S42Very low48Very low47 Ų4784.2 Ų84.233%0.32945%0.446SS..  trans-103.3111.6177.566.50000109.9S422 R428S422-S426 WeakPolarHBondContact O-CB 3.32Å; S422-S426 PolarHBondContact O-N 2.88Å; S422-S426 PolarHBondContact O-OG 2.76Å; S426-R428 PolarHBondContact O-N 3.1Å
427Q34.9Very low47Very low205 Ų20585.9 Ų85.996%0.95846%0.455SS*.THydrogen-bonded Turntrans-64.37.5176.2-69.2-177.1-12.600114.3
428R37.4Very low46.3Very low185 Ų18584.9 Ų84.970%0.69845%0.452SS*.THydrogen-bonded Turntrans-114.5-12.9-170.1-70.1-173.8-178.3160.42.3115.1S426 D430S426-R428 PolarHBondContact O-N 3.1Å; R428-D430 PolarHBondContact O-N 2.89Å; R428-D430 VanDerWaalsContact O-N 3.13Å
429A35.6Very low46Very low36 Ų3684 Ų8430%0.29845%0.447SS..  trans-8784.7178.400000109.8N423N423-A429 WeakPolarHBondContact OD1-CB 3.33Å
430D31.6Very low46.1Very low107 Ų10784.8 Ų84.857%0.57246%0.455SS*.  trans-59.2147167.5-97.1-22000110.2R428 I432 H567R428-D430 PolarHBondContact O-N 2.89Å; R428-D430 VanDerWaalsContact O-N 3.13Å; D430-I432 PolarHBondContact O-N 3.45Å; D430-H567 IonicContact OD2-CE1 2.66Å
431T33.6Very low46.2Very low85 Ų8582.8 Ų82.852%0.52144%0.44SS..  trans-68.394.1-169.7-57.90000110.9K433T431-K433 WeakPolarHBondContact CG2-O 3.41Å; T431-K433 PolarHBondContact O-N 3.2Å
432I39.2Very low47.1Very low81 Ų8180.4 Ų80.442%0.41542%0.42SS..SBendtrans-62.3-27179-62170.6000112D430 A734D430-I432 PolarHBondContact O-N 3.45Å; I432-A734 HydrophobicContact CG2-CB 4.1Å
433K40.7Very low48.1Very low113 Ų11382.8 Ų82.849%0.49143%0.428SS..SBendtrans-112.2101179.6-66.2176.1-174.21580110.3D416 E419 T431 H435D416-K433 IonicContact OD1-NZ 3.5Å; E419-K433 IonicContact OE2-NZ 3.59Å; T431-K433 WeakPolarHBondContact CG2-O 3.41Å; T431-K433 PolarHBondContact O-N 3.2Å; K433-H435 PolarHBondContact O-N 3.35Å; K433-H435 VanDerWaalsContact O-N 3.16Å
434T42Very low49.3Very low77 Ų7783.6 Ų83.647%0.47243%0.431SS..  trans-49.5123.8160.841.20000108.8H436T434-H436 VanDerWaalsContact C-N 3.26Å; T434-H436 PolarHBondContact O-CD2 2.91Å; T434-H436 PolarHBondContact O-N 3.39Å; T434-H436 PolarHBondContact OG1-CE1 2.89Å; T434-H436 PolarHBondContact OG1-NE2 3.11Å
435H43.2Very low50.9Low141 Ų14176.1 Ų76.165%0.65339%0.392SS*.  trans-65.884.7-179.5-66.2-76000110.2K433 N437K433-H435 PolarHBondContact O-N 3.35Å; K433-H435 VanDerWaalsContact O-N 3.16Å; H435-N437 PolarHBondContact O-N 3.08Å
436H47.9Very low52.6Low61 Ų6175.9 Ų75.928%0.28239%0.385SS..THydrogen-bonded Turntrans-63.9-6.3-172.1-70-67.4000115T434T434-H436 VanDerWaalsContact C-N 3.26Å; T434-H436 PolarHBondContact O-CD2 2.91Å; T434-H436 PolarHBondContact O-N 3.39Å; T434-H436 PolarHBondContact OG1-CE1 2.89Å; T434-H436 PolarHBondContact OG1-NE2 3.11Å
437N51.7Low54.5Low87 Ų8781.8 Ų81.847%0.46541%0.405SS..THydrogen-bonded Turntrans-123.413.1-168-76.6-14.1000115.3H435 T439H435-N437 PolarHBondContact O-N 3.08Å; N437-T439 PolarHBondContact O-N 3.11Å
438T56.9Low56.8Low44 Ų4477.3 Ų77.327%0.2738%0.384SS..  trans-93.585-173-43.80000111.7V442 Q443T438-V442 HydrophobicContact CG2-CG1 4.29Å; T438-Q443 HydrophobicContact CG2-CG 3.36Å
439T59.7Low59.1Low0 Ų071.5 Ų71.50%038%0.382CS..  trans-76.3162.2172.977.40000111.6V389 W396 N437 L441 V442 Q443V389-T439 HydrophobicContact CB-CG2 4.1Å; V389-T439 HydrophobicContact CG1-CG2 3.84Å; V389-T439 HydrophobicContact CG2-CG2 4.02Å; W396-T439 HydrophobicContact CH2-CG2 3.36Å; W396-T439 WeakPolarHBondContact CH2-OG1 3.25Å; W396-T439 HydrophobicContact CZ3-CG2 3.49Å; W396-T439 VanDerWaalsContact CZ3-CG2 3.49Å; W396-T439 WeakPolarHBondContact CZ3-OG1 3.49Å; N437-T439 PolarHBondContact O-N 3.11Å; T439-L441 PolarHBondContact O-N 3.44Å; T439-V442 HydrophobicContact CG2-CG2 4.47Å; T439-V442 WeakPolarHBondContact O-CA 3.02Å; T439-V442 WeakPolarHBondContact O-CB 3.5Å; T439-V442 PolarHBondContact O-N 3.48Å; T439-V442 WeakPolarHBondContact OG1-CG2 3.36Å; T439-V442 PolarHBondContact OG1-N 2.88Å; T439-Q443 WeakPolarHBondContact O-CG 3.4Å; T439-Q443 PolarHBondContact O-N 3.27Å
440T65Low61.6Low64 Ų6471.2 Ų71.239%0.39337%0.373SS..Hα-helixtrans-52.6-39.7176.4-48.80000112.1Q443 I444T440-Q443 PolarHBondContact O-N 3.27Å; T440-I444 HydrophobicContact CG2-CD1 4.14Å; T440-I444 WeakPolarHBondContact O-CD1 3.47Å; T440-I444 VanDerWaalsContact O-CG1 3.23Å; T440-I444 WeakPolarHBondContact O-CG1 3.49Å; T440-I444 PolarHBondContact O-N 3.28Å
441L64.3Low64.4Low22 Ų2267.8 Ų67.812%0.11536%0.355CS..Hα-helixtrans-68.4-42.5176.1-176.566.7000112W396 P403 L406 T439 Q443 I444 L445W396-L441 HydrophobicContact CD2-CD2 3.97Å; W396-L441 HydrophobicContact CG-CD2 3.74Å; P403-L441 HydrophobicContact CB-CD1 3.99Å; P403-L441 HydrophobicContact CG-CD1 3.97Å; L406-L441 HydrophobicContact CD2-CD2 4.18Å; T439-L441 PolarHBondContact O-N 3.44Å; L441-Q443 VanDerWaalsContact C-N 3.26Å; L441-Q443 PolarHBondContact O-N 3.03Å; L441-I444 PolarHBondContact O-N 2.99Å; L441-I444 VanDerWaalsContact O-N 3.14Å; L441-L445 HydrophobicContact CD1-CD1 4.33Å; L441-L445 HydrophobicContact CD1-CG 4.19Å; L441-L445 HydrophobicContact CD2-CD1 4.4Å; L441-L445 HydrophobicContact CG-CD1 3.95Å; L441-L445 HydrophobicContact CG-CG 4.21Å; L441-L445 WeakPolarHBondContact O-CB 3.14Å; L441-L445 VanDerWaalsContact O-CG 3.32Å; L441-L445 WeakPolarHBondContact O-CG 3.41Å; L441-L445 PolarHBondContact O-N 3.33Å
442V72.7Confident67.3Low3 Ų364.3 Ų64.32%0.01833%0.334CS..Hα-helixtrans-57.8-43.1175.2172.30000110.2L408 T438 T439 L445 Q446L408-V442 HydrophobicContact CD2-CB 4.19Å; L408-V442 HydrophobicContact CD2-CG1 3.8Å; L408-V442 HydrophobicContact CD2-CG2 3.82Å; T438-V442 HydrophobicContact CG2-CG1 4.29Å; T439-V442 HydrophobicContact CG2-CG2 4.47Å; T439-V442 WeakPolarHBondContact O-CA 3.02Å; T439-V442 WeakPolarHBondContact O-CB 3.5Å; T439-V442 PolarHBondContact O-N 3.48Å; T439-V442 WeakPolarHBondContact OG1-CG2 3.36Å; T439-V442 PolarHBondContact OG1-N 2.88Å; V442-L445 PolarHBondContact O-N 3.35Å; V442-Q446 HydrophobicContact CG1-CG 4.36Å; V442-Q446 VanDerWaalsContact O-CB 3.32Å; V442-Q446 WeakPolarHBondContact O-CB 3.32Å; V442-Q446 VanDerWaalsContact O-CG 3.25Å; V442-Q446 WeakPolarHBondContact O-CG 3.31Å; V442-Q446 PolarHBondContact O-N 2.95Å
443Q73.1Confident69.8Low82 Ų8263.6 Ų63.638%0.38333%0.329SS..Hα-helixtrans-62.6-43.1175.4-62.4179.2-5.200112.2T438 T439 T440 L441 K447T438-Q443 HydrophobicContact CG2-CG 3.36Å; T439-Q443 WeakPolarHBondContact O-CG 3.4Å; T439-Q443 PolarHBondContact O-N 3.27Å; T440-Q443 PolarHBondContact O-N 3.27Å; L441-Q443 VanDerWaalsContact C-N 3.26Å; L441-Q443 PolarHBondContact O-N 3.03Å; Q443-K447 WeakPolarHBondContact O-CB 3.44Å; Q443-K447 VanDerWaalsContact O-CG 3.27Å; Q443-K447 WeakPolarHBondContact O-CG 3.5Å; Q443-K447 PolarHBondContact O-N 2.86Å
444I75.1Confident72.3Confident67 Ų6758.5 Ų58.534%0.34431%0.308SS..Hα-helixtrans-61.9-48.6177.2-70.5163.8000110.1T440 L441 Q446 K447 Q448T440-I444 HydrophobicContact CG2-CD1 4.14Å; T440-I444 WeakPolarHBondContact O-CD1 3.47Å; T440-I444 VanDerWaalsContact O-CG1 3.23Å; T440-I444 WeakPolarHBondContact O-CG1 3.49Å; T440-I444 PolarHBondContact O-N 3.28Å; L441-I444 PolarHBondContact O-N 2.99Å; L441-I444 VanDerWaalsContact O-N 3.14Å; I444-Q446 PolarHBondContact O-N 3.49Å; I444-K447 PolarHBondContact O-N 3.31Å; I444-Q448 HydrophobicContact CG2-CG 4.41Å; I444-Q448 WeakPolarHBondContact O-CB 3.24Å; I444-Q448 VanDerWaalsContact O-CG 3.23Å; I444-Q448 WeakPolarHBondContact O-CG 3.11Å; I444-Q448 PolarHBondContact O-N 3.34Å
445L79.1Confident74.7Confident1 Ų154.9 Ų54.91%0.00529%0.285CS..Hα-helixtrans-65.7-39.5-179.3-66.6176.6000111.8L406 L408 L441 V442 Q448 G449 R450 V451L406-L445 HydrophobicContact CD2-CD1 4.36Å; L406-L445 VanDerWaalsContact O-CD2 3.28Å; L406-L445 WeakPolarHBondContact O-CD2 3.33Å; L408-L445 HydrophobicContact CB-CD1 3.83Å; L441-L445 HydrophobicContact CD1-CD1 4.33Å; L441-L445 HydrophobicContact CD1-CG 4.19Å; L441-L445 HydrophobicContact CD2-CD1 4.4Å; L441-L445 HydrophobicContact CG-CD1 3.95Å; L441-L445 HydrophobicContact CG-CG 4.21Å; L441-L445 WeakPolarHBondContact O-CB 3.14Å; L441-L445 VanDerWaalsContact O-CG 3.32Å; L441-L445 WeakPolarHBondContact O-CG 3.41Å; L441-L445 PolarHBondContact O-N 3.33Å; V442-L445 PolarHBondContact O-N 3.35Å; L445-Q448 CarbonylContact O-C 3.59Å; L445-Q448 PolarHBondContact O-N 3.28Å; L445-G449 PolarHBondContact O-N 2.75Å; L445-G449 VanDerWaalsContact O-N 3.14Å; L445-R450 HydrophobicContact CB-CB 4.32Å; L445-R450 HydrophobicContact CD2-CB 3.94Å; L445-R450 HydrophobicContact CD2-CG 4.5Å; L445-R450 PolarHBondContact O-N 2.83Å; L445-V451 HydrophobicContact CB-CG2 4.47Å
446Q79.5Confident76.8Confident85 Ų8550 Ų5040%0.39727%0.267SS..Hα-helixtrans-60.5-50.3172.5-78.1174.7-16.900111.5Q410 V442 I444 Q448 G449 V451Q410-Q446 VanDerWaalsContact OE1-NE2 3.15Å; V442-Q446 HydrophobicContact CG1-CG 4.36Å; V442-Q446 VanDerWaalsContact O-CB 3.32Å; V442-Q446 WeakPolarHBondContact O-CB 3.32Å; V442-Q446 VanDerWaalsContact O-CG 3.25Å; V442-Q446 WeakPolarHBondContact O-CG 3.31Å; V442-Q446 PolarHBondContact O-N 2.95Å; I444-Q446 PolarHBondContact O-N 3.49Å; Q446-Q448 PolarHBondContact O-N 3.31Å; Q446-G449 PolarHBondContact O-N 2.68Å; Q446-V451 HydrophobicContact CB-CG2 4.28Å; Q446-V451 HydrophobicContact CG-CG2 3.56Å
447K80.3Confident78.7Confident172 Ų17248.7 Ų48.775%0.74826%0.262SS*.Hα-helixtrans-61.6-31.1177.8-74.8177.3179.7-179.90112.9Q443 I444 G449Q443-K447 WeakPolarHBondContact O-CB 3.44Å; Q443-K447 VanDerWaalsContact O-CG 3.27Å; Q443-K447 WeakPolarHBondContact O-CG 3.5Å; Q443-K447 PolarHBondContact O-N 2.86Å; I444-K447 PolarHBondContact O-N 3.31Å; K447-G449 VanDerWaalsContact C-N 3.31Å
448Q84.6Confident80.5Confident111 Ų11144.7 Ų44.752%0.51924%0.241SC..THydrogen-bonded Turntrans-85.61.1176.6-69.1175.8-8.900113.5I444 L445 Q446 R450I444-Q448 HydrophobicContact CG2-CG 4.41Å; I444-Q448 WeakPolarHBondContact O-CB 3.24Å; I444-Q448 VanDerWaalsContact O-CG 3.23Å; I444-Q448 WeakPolarHBondContact O-CG 3.11Å; I444-Q448 PolarHBondContact O-N 3.34Å; L445-Q448 CarbonylContact O-C 3.59Å; L445-Q448 PolarHBondContact O-N 3.28Å; Q446-Q448 PolarHBondContact O-N 3.31Å; Q448-R450 VanDerWaalsContact C-N 3.25Å; Q448-R450 HydrophobicContact CB-CG 3.79Å; Q448-R450 PolarHBondContact O-N 3.37Å
449G84.4Confident81.8Confident63 Ų6342.9 Ų42.965%0.64923%0.229SC*.THydrogen-bonded Turntrans66.423.9-177.700000114L445 Q446 K447 V451L445-G449 PolarHBondContact O-N 2.75Å; L445-G449 VanDerWaalsContact O-N 3.14Å; Q446-G449 PolarHBondContact O-N 2.68Å; K447-G449 VanDerWaalsContact C-N 3.31Å; G449-V451 VanDerWaalsContact C-N 3.31Å; G449-V451 PolarHBondContact O-N 3.15Å
450R89.4Confident83Confident29 Ų2945.2 Ų45.211%0.10924%0.239CC..  trans-96.830.6-177.1-52.5-162.381.2-145.8-1.2112.9N213 P403 S404 L406 M407 L408 L445 Q448N213-R450 VanDerWaalsContact CG-NH2 3.25Å; N213-R450 PolarHBondContact ND2-NH2 3.01Å; N213-R450 PolarHBondContact OD1-NH2 3.36Å; N213-R450 VanDerWaalsContact OD1-NH2 3.13Å; P403-R450 PolarHBondContact O-NH1 3.46Å; S404-R450 PolarHBondContact O-NH1 3.42Å; S404-R450 PolarHBondContact O-NH2 3.47Å; L406-R450 VanDerWaalsContact O-CZ 3.23Å; L406-R450 PolarHBondContact O-NH1 2.75Å; M407-R450 WeakPolarHBondContact CA-O 3.2Å; M407-R450 HydrophobicContact CG-CB 4.46Å; L408-R450 PolarHBondContact N-O 3.42Å; L445-R450 HydrophobicContact CB-CB 4.32Å; L445-R450 HydrophobicContact CD2-CB 3.94Å; L445-R450 HydrophobicContact CD2-CG 4.5Å; L445-R450 PolarHBondContact O-N 2.83Å; Q448-R450 VanDerWaalsContact C-N 3.25Å; Q448-R450 HydrophobicContact CB-CG 3.79Å; Q448-R450 PolarHBondContact O-N 3.37Å
451V91Very high83.8Confident35 Ų3544.4 Ų44.421%0.21223%0.233CC..EExtended strand (participates in β ladder)trans-109.7133.8178.41800000109.7L408 Q410 L445 Q446 G449 E453L408-V451 HydrophobicContact CB-CG2 4.32Å; L408-V451 HydrophobicContact CD2-CG2 4.29Å; L408-V451 CarbonylContact O-C 3.58Å; L408-V451 WeakPolarHBondContact O-CA 3.46Å; Q410-V451 HydrophobicContact CB-CG1 4.33Å; Q410-V451 HydrophobicContact CG-CG1 3.93Å; Q410-V451 VanDerWaalsContact OE1-CG1 3.3Å; L445-V451 HydrophobicContact CB-CG2 4.47Å; Q446-V451 HydrophobicContact CB-CG2 4.28Å; Q446-V451 HydrophobicContact CG-CG2 3.56Å; G449-V451 VanDerWaalsContact C-N 3.31Å; G449-V451 PolarHBondContact O-N 3.15Å; V451-E453 HydrophobicContact CG1-CG 3.88Å
452V92.9Very high85Confident12 Ų1243.9 Ų43.97%0.07323%0.23CC..EExtended strand (participates in β ladder)trans-111.5129.5172.4-174.90000107.8I206 A209 V210 I215 M407 L408 C409 Q410 P454I206-V452 HydrophobicContact CG1-CG1 4.18Å; A209-V452 HydrophobicContact CB-CG2 4.16Å; V210-V452 HydrophobicContact CG2-CG2 3.99Å; I215-V452 HydrophobicContact CD1-CB 4.26Å; I215-V452 HydrophobicContact CD1-CG2 4.19Å; M407-V452 HydrophobicContact CE-CG2 3.56Å; M407-V452 HydrophobicContact SD-CG2 4.49Å; L408-V452 PolarHBondContact O-N 3.14Å; C409-V452 WeakPolarHBondContact CA-O 3.34Å; Q410-V452 PolarHBondContact N-O 3.01Å; V452-P454 HydrophobicContact CG1-CG 4.14Å; V452-P454 WeakPolarHBondContact O-CD 3.5Å
453E92.8Very high85.8Confident66 Ų6643.8 Ų43.831%0.30823%0.229SC..  trans-121.278.2-179.3-59.4-176.2110.200110.3Q410 T412 V451 L455 S456Q410-E453 HydrophobicContact CB-CG 4.4Å; Q410-E453 WeakPolarHBondContact O-CA 3.47Å; T412-E453 WeakPolarHBondContact CB-OE1 3.35Å; T412-E453 WeakPolarHBondContact CG2-OE1 3.39Å; T412-E453 PolarHBondContact OG1-OE1 3.11Å; V451-E453 HydrophobicContact CG1-CG 3.88Å; E453-L455 PolarHBondContact O-N 2.93Å; E453-L455 VanDerWaalsContact O-N 3.13Å; E453-S456 VanDerWaalsContact O-CB 3.31Å; E453-S456 WeakPolarHBondContact O-CB 3.35Å; E453-S456 PolarHBondContact O-N 2.92Å; E453-S456 PolarHBondContact O-OG 3.39Å
454P92.9Very high86.7Confident7 Ų741.9 Ų41.95%0.04522%0.218CC..THydrogen-bonded Turntrans-59.3-28.7-172.8-27.437.3000114.6C202 I206 L231 Q410 V452C202-P454 PolarHBondContact SG-O 3.24Å; I206-P454 HydrophobicContact CD1-CB 4.04Å; I206-P454 HydrophobicContact CD1-CG 4.1Å; I206-P454 HydrophobicContact CG1-CG 4.36Å; L231-P454 HydrophobicContact CD1-CB 4.03Å; Q410-P454 WeakPolarHBondContact O-CD 3.37Å; V452-P454 HydrophobicContact CG1-CG 4.14Å; V452-P454 WeakPolarHBondContact O-CD 3.5Å
455L92.4Very high87.4Confident0 Ų042.9 Ų42.90%022%0.222CC..THydrogen-bonded Turntrans-973.4-173.5-53.3-175000113.5D224 V227 C228 L231 T412 L413 E453 D457 F458 V463D224-L455 HydrophobicContact CB-CD1 4.02Å; D224-L455 WeakPolarHBondContact O-CD1 3.46Å; V227-L455 HydrophobicContact CG1-CD2 4.08Å; C228-L455 WeakPolarHBondContact SG-CD1 3.49Å; C228-L455 VanDerWaalsContact SG-CG 3.52Å; L231-L455 HydrophobicContact CD1-CD2 3.8Å; T412-L455 CarbonylContact O-C 3.52Å; L413-L455 HydrophobicContact CD2-CB 3.64Å; L413-L455 HydrophobicContact CD2-CD1 3.8Å; L413-L455 HydrophobicContact CD2-CG 4.38Å; E453-L455 PolarHBondContact O-N 2.93Å; E453-L455 VanDerWaalsContact O-N 3.13Å; L455-D457 PolarHBondContact O-N 3.28Å; L455-D457 VanDerWaalsContact O-N 3.1Å; L455-F458 PolarHBondContact O-N 3.29Å; L455-V463 HydrophobicContact CB-CG2 4.35Å; L455-V463 HydrophobicContact CD1-CG1 3.94Å; L455-V463 HydrophobicContact CD1-CG2 4.04Å; L455-V463 HydrophobicContact CD2-CG2 4.18Å; L455-V463 HydrophobicContact CG-CG2 4.41Å
456S88.2Confident88.1Confident40 Ų4042.9 Ų42.928%0.2822%0.222SC..THydrogen-bonded Turntrans-57.6-26.2-176.550.50000114.3T412 R414 E453T412-S456 PolarHBondContact O-N 3.33Å; T412-S456 VanDerWaalsContact O-N 3.15Å; R414-S456 VanDerWaalsContact CA-O 3.28Å; R414-S456 WeakPolarHBondContact CA-O 3.25Å; R414-S456 VanDerWaalsContact CB-O 3.25Å; R414-S456 WeakPolarHBondContact CB-O 3.39Å; E453-S456 VanDerWaalsContact O-CB 3.31Å; E453-S456 WeakPolarHBondContact O-CB 3.35Å; E453-S456 PolarHBondContact O-N 2.92Å; E453-S456 PolarHBondContact O-OG 3.39Å
457D87.2Confident88.7Confident32 Ų3238.9 Ų38.917%0.17120%0.203CC..THydrogen-bonded Turntrans-94.8-1.8178.3-169.640.2000113.4R22 Y193 R198 R414 L455R22-D457 IonicContact CZ-OD1 3.67Å; R22-D457 PolarHBondContact NH1-O 3.42Å; R22-D457 VanDerWaalsContact NH1-O 3.14Å; R22-D457 IonicContact NH1-OD1 2.81Å; R22-D457 PolarHBondContact NH1-OD1 3.05Å; R22-D457 IonicContact NH2-OD1 2.85Å; Y193-D457 VanDerWaalsContact OH-CG 3.25Å; Y193-D457 PolarHBondContact OH-OD1 3.29Å; Y193-D457 VanDerWaalsContact OH-OD1 3.12Å; Y193-D457 PolarHBondContact OH-OD2 3.04Å; R198-D457 IonicContact NE-OD2 3.51Å; R198-D457 PolarHBondContact NE-OD2 3.43Å; R198-D457 PolarHBondContact NH2-O 3.02Å; R414-D457 IonicContact NH1-OD1 3.63Å; L455-D457 PolarHBondContact O-N 3.28Å; L455-D457 VanDerWaalsContact O-N 3.1Å
458F88.9Confident89.2Confident3 Ų335.3 Ų35.31%0.01318%0.184CC..  trans-116.1141.3-168.7-58.8-83.6000113.4M195 R198 C202 R414 L455 E462 V463 I466M195-F458 HydrophobicContact SD-CD1 3.93Å; M195-F458 HydrophobicContact SD-CE1 3.76Å; R198-F458 HydrophobicContact CB-CE1 3.69Å; R198-F458 HydrophobicContact CB-CZ 3.79Å; C202-F458 HydrophobicContact CB-CE2 4.22Å; C202-F458 HydrophobicContact CB-CZ 4.4Å; R414-F458 WeakPolarHBondContact CB-O 3.45Å; R414-F458 PolarHBondContact N-O 3.31Å; L455-F458 PolarHBondContact O-N 3.29Å; F458-E462 WeakPolarHBondContact CA-OE2 3.14Å; F458-E462 HydrophobicContact CB-CB 4.26Å; F458-E462 HydrophobicContact CD1-CB 4.18Å; F458-V463 HydrophobicContact CB-CG2 3.84Å; F458-I466 HydrophobicContact CD1-CD1 3.56Å; F458-I466 HydrophobicContact CD2-CD1 4.19Å; F458-I466 HydrophobicContact CE1-CD1 3.57Å; F458-I466 HydrophobicContact CE2-CD1 4.18Å; F458-I466 HydrophobicContact CG-CD1 3.86Å; F458-I466 HydrophobicContact CZ-CD1 3.87Å
459H84.8Confident89.5Confident7 Ų735.3 Ų35.33%0.03218%0.184CC..  trans-81.9164.3166.6-73.2-72.2000111.4D18 D461 E462 V463D18-H459 IonicContact OD2-CD2 3.78Å; D18-H459 IonicContact OD2-CE1 3.54Å; D18-H459 PolarHBondContact OD2-CE1 2.68Å; D18-H459 IonicContact OD2-NE2 2.68Å; D18-H459 PolarHBondContact OD2-NE2 2.75Å; H459-D461 VanDerWaalsContact CB-OD1 3.27Å; H459-D461 WeakPolarHBondContact CB-OD1 3.24Å; H459-D461 PolarHBondContact O-N 3.45Å; H459-E462 HydrophobicContact CB-CG 4.15Å; H459-E462 IonicContact CD2-OE2 3.43Å; H459-E462 PolarHBondContact N-OE2 2.8Å; H459-E462 WeakPolarHBondContact O-CB 3.45Å; H459-E462 PolarHBondContact O-N 3.44Å; H459-E462 VanDerWaalsContact O-N 3.13Å; H459-V463 WeakPolarHBondContact O-CG2 3.43Å; H459-V463 PolarHBondContact O-N 2.52Å
460K84Confident89.7Confident49 Ų4933.6 Ų33.621%0.21316%0.16CC..Hα-helixtrans-60.9-40.1-171.4-172.365.3167.3-1690114.1V223 D224 L413 V463 R464V223-K460 HydrophobicContact CG1-CD 4.42Å; D224-K460 IonicContact OD1-NZ 3.42Å; D224-K460 PolarHBondContact OD1-NZ 3.46Å; D224-K460 IonicContact OD2-NZ 3.74Å; D224-K460 PolarHBondContact OD2-NZ 3.36Å; L413-K460 HydrophobicContact CD1-CD 3.89Å; K460-V463 PolarHBondContact O-N 3.29Å; K460-R464 WeakPolarHBondContact O-CG 3.45Å; K460-R464 PolarHBondContact O-N 2.81Å; K460-R464 VanDerWaalsContact O-N 3.11Å
461D82.6Confident89.6Confident47 Ų4735 Ų3525%0.25118%0.184SC..Hα-helixtrans-65.9-40.8175.146.9-5.5000112.1R19 H459 R464 Q465R19-D461 IonicContact CZ-OD2 3.9Å; R19-D461 IonicContact NE-OD2 2.69Å; R19-D461 PolarHBondContact NE-OD2 3.38Å; R19-D461 VanDerWaalsContact NE-OD2 3.09Å; R19-D461 IonicContact NH2-OD2 3.55Å; R19-D461 PolarHBondContact NH2-OD2 2.85Å; H459-D461 VanDerWaalsContact CB-OD1 3.27Å; H459-D461 WeakPolarHBondContact CB-OD1 3.24Å; H459-D461 PolarHBondContact O-N 3.45Å; D461-R464 WeakPolarHBondContact O-CB 3.49Å; D461-R464 PolarHBondContact O-N 3.38Å; D461-Q465 WeakPolarHBondContact O-CG 3.48Å; D461-Q465 PolarHBondContact O-N 2.89Å
462E88.3Confident89.5Confident11 Ų1133.7 Ų33.75%0.05118%0.176CC..Hα-helixtrans-62.3-44.7173.7-55-177.2132.700111.1M195 R198 F458 H459 R464 Q465 I466M195-E462 HydrophobicContact CE-CB 3.42Å; M195-E462 VanDerWaalsContact CE-CB 3.42Å; M195-E462 HydrophobicContact CE-CG 3.34Å; M195-E462 WeakPolarHBondContact CE-OE1 3.35Å; M195-E462 HydrophobicContact SD-CB 4.13Å; R198-E462 IonicContact CZ-OE1 2.79Å; R198-E462 IonicContact CZ-OE2 2.84Å; R198-E462 IonicContact NH1-OE1 3.69Å; R198-E462 PolarHBondContact NH1-OE1 3.4Å; R198-E462 IonicContact NH1-OE2 3.54Å; R198-E462 IonicContact NH2-OE1 3.52Å; R198-E462 PolarHBondContact NH2-OE1 3.49Å; R198-E462 IonicContact NH2-OE2 3.64Å; R198-E462 PolarHBondContact NH2-OE2 3.42Å; F458-E462 WeakPolarHBondContact CA-OE2 3.14Å; F458-E462 HydrophobicContact CB-CB 4.26Å; F458-E462 HydrophobicContact CD1-CB 4.18Å; H459-E462 HydrophobicContact CB-CG 4.15Å; H459-E462 IonicContact CD2-OE2 3.43Å; H459-E462 PolarHBondContact N-OE2 2.8Å; H459-E462 WeakPolarHBondContact O-CB 3.45Å; H459-E462 PolarHBondContact O-N 3.44Å; H459-E462 VanDerWaalsContact O-N 3.13Å; E462-R464 VanDerWaalsContact C-N 3.26Å; E462-R464 PolarHBondContact O-N 3.44Å; E462-Q465 WeakPolarHBondContact O-CA 3.15Å; E462-Q465 WeakPolarHBondContact O-CB 3.47Å; E462-Q465 PolarHBondContact O-N 3.11Å; E462-I466 WeakPolarHBondContact O-CG1 3.4Å; E462-I466 PolarHBondContact O-N 2.93Å
463V91.3Very high89.3Confident0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-56.7-41.1173.4173.10000111.4V227 L413 L455 F458 H459 K460 I466 G467V227-V463 HydrophobicContact CB-CG1 3.94Å; V227-V463 HydrophobicContact CG1-CG1 4.07Å; V227-V463 HydrophobicContact CG2-CG1 3.86Å; L413-V463 HydrophobicContact CD2-CG2 3.75Å; L455-V463 HydrophobicContact CB-CG2 4.35Å; L455-V463 HydrophobicContact CD1-CG1 3.94Å; L455-V463 HydrophobicContact CD1-CG2 4.04Å; L455-V463 HydrophobicContact CD2-CG2 4.18Å; L455-V463 HydrophobicContact CG-CG2 4.41Å; F458-V463 HydrophobicContact CB-CG2 3.84Å; H459-V463 WeakPolarHBondContact O-CG2 3.43Å; H459-V463 PolarHBondContact O-N 2.52Å; K460-V463 PolarHBondContact O-N 3.29Å; V463-I466 PolarHBondContact O-N 3.34Å; V463-G467 PolarHBondContact O-N 2.93Å
464R91.3Very high89Confident43 Ų4337.1 Ų37.116%0.16220%0.196CC..Hα-helixtrans-63.5-42.1174.4-72.9178.4169.5169.1-0.2112V223 K460 D461 E462 G467 R468 V477V223-R464 HydrophobicContact CG2-CG 4.37Å; K460-R464 WeakPolarHBondContact O-CG 3.45Å; K460-R464 PolarHBondContact O-N 2.81Å; K460-R464 VanDerWaalsContact O-N 3.11Å; D461-R464 WeakPolarHBondContact O-CB 3.49Å; D461-R464 PolarHBondContact O-N 3.38Å; E462-R464 VanDerWaalsContact C-N 3.26Å; E462-R464 PolarHBondContact O-N 3.44Å; R464-G467 PolarHBondContact O-N 3.45Å; R464-R468 PolarHBondContact O-N 2.92Å; R464-R468 VanDerWaalsContact O-N 3.1Å; R464-V477 HydrophobicContact CB-CG1 3.64Å; R464-V477 WeakPolarHBondContact CD-O 3.38Å; R464-V477 HydrophobicContact CG-CG1 4Å; R464-V477 WeakPolarHBondContact CG-O 3.43Å; R464-V477 PolarHBondContact NE-O 3.06Å; R464-V477 VanDerWaalsContact NE-O 3.12Å; R464-V477 WeakPolarHBondContact O-CG1 3.47Å
465Q90.5Very high88.6Confident88 Ų8840.2 Ų40.241%0.41122%0.222SC..Hα-helixtrans-62.5-42.9175.7-68.2175.610.300111.8D461 E462 G467 R468 Q469D461-Q465 WeakPolarHBondContact O-CG 3.48Å; D461-Q465 PolarHBondContact O-N 2.89Å; E462-Q465 WeakPolarHBondContact O-CA 3.15Å; E462-Q465 WeakPolarHBondContact O-CB 3.47Å; E462-Q465 PolarHBondContact O-N 3.11Å; Q465-G467 VanDerWaalsContact C-N 3.3Å; Q465-G467 PolarHBondContact O-N 2.93Å; Q465-R468 WeakPolarHBondContact O-CB 3.24Å; Q465-R468 PolarHBondContact O-N 2.8Å; Q465-Q469 WeakPolarHBondContact O-CG 3.43Å; Q465-Q469 PolarHBondContact O-N 2.88Å
466I92.7Very high88.4Confident1 Ų140.4 Ų40.41%0.00522%0.223CC..Hα-helixtrans-58.8-46173.9-64.4170.4000109.8M195 V199 V227 L231 F458 E462 V463 R468 Q469 L470M195-I466 HydrophobicContact SD-CD1 4.48Å; M195-I466 HydrophobicContact SD-CG1 4.37Å; V199-I466 HydrophobicContact CG2-CD1 4.03Å; V199-I466 HydrophobicContact CG2-CG1 3.73Å; V199-I466 HydrophobicContact CG2-CG2 4.47Å; V227-I466 HydrophobicContact CG1-CB 4.21Å; V227-I466 HydrophobicContact CG1-CG2 3.76Å; L231-I466 HydrophobicContact CD1-CG2 4.48Å; L231-I466 HydrophobicContact CD2-CG2 4.11Å; L231-I466 HydrophobicContact CG-CG2 4.37Å; F458-I466 HydrophobicContact CD1-CD1 3.56Å; F458-I466 HydrophobicContact CD2-CD1 4.19Å; F458-I466 HydrophobicContact CE1-CD1 3.57Å; F458-I466 HydrophobicContact CE2-CD1 4.18Å; F458-I466 HydrophobicContact CG-CD1 3.86Å; F458-I466 HydrophobicContact CZ-CD1 3.87Å; E462-I466 WeakPolarHBondContact O-CG1 3.4Å; E462-I466 PolarHBondContact O-N 2.93Å; V463-I466 PolarHBondContact O-N 3.34Å; I466-R468 VanDerWaalsContact C-N 3.29Å; I466-R468 PolarHBondContact O-N 2.95Å; I466-Q469 PolarHBondContact O-N 2.81Å; I466-Q469 VanDerWaalsContact O-N 3.1Å; I466-L470 HydrophobicContact CG2-CD1 3.67Å; I466-L470 HydrophobicContact CG2-CG 4.15Å; I466-L470 VanDerWaalsContact O-CG 3.28Å; I466-L470 WeakPolarHBondContact O-CG 3.46Å; I466-L470 PolarHBondContact O-N 3.26Å
467G91.9Very high88.4Confident0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-52.9-45.3175.500000113.2V463 R464 Q465 L470 G471 L472V463-G467 PolarHBondContact O-N 2.93Å; R464-G467 PolarHBondContact O-N 3.45Å; Q465-G467 VanDerWaalsContact C-N 3.3Å; Q465-G467 PolarHBondContact O-N 2.93Å; G467-L470 PolarHBondContact O-N 3.32Å; G467-G471 PolarHBondContact O-N 3.35Å; G467-L472 VanDerWaalsContact O-CB 3.26Å; G467-L472 WeakPolarHBondContact O-CB 3.46Å; G467-L472 WeakPolarHBondContact O-CG 3.38Å; G467-L472 PolarHBondContact O-N 3.47Å
468R91.5Very high88.4Confident97 Ų9738.8 Ų38.837%0.36621%0.211SC..Hα-helixtrans-63.2-45.4175.3-65.4-179.1173.197.35.2112.7R464 Q465 I466 L470 G471 E474 V477 N478R464-R468 PolarHBondContact O-N 2.92Å; R464-R468 VanDerWaalsContact O-N 3.1Å; Q465-R468 WeakPolarHBondContact O-CB 3.24Å; Q465-R468 PolarHBondContact O-N 2.8Å; I466-R468 VanDerWaalsContact C-N 3.29Å; I466-R468 PolarHBondContact O-N 2.95Å; R468-L470 PolarHBondContact O-N 2.92Å; R468-G471 PolarHBondContact O-N 3.22Å; R468-E474 WeakPolarHBondContact CD-OE1 3.41Å; R468-E474 WeakPolarHBondContact CG-OE1 3.41Å; R468-E474 IonicContact CZ-OE1 2.83Å; R468-E474 IonicContact CZ-OE2 3.66Å; R468-E474 IonicContact NE-OE1 3.39Å; R468-E474 PolarHBondContact NE-OE1 3.5Å; R468-E474 IonicContact NE-OE2 3.99Å; R468-E474 PolarHBondContact NE-OE2 2.92Å; R468-E474 IonicContact NH2-OE1 3.09Å; R468-E474 IonicContact NH2-OE2 2.67Å; R468-E474 PolarHBondContact NH2-OE2 2.85Å; R468-V477 HydrophobicContact CG-CG1 3.96Å; R468-V477 HydrophobicContact CG-CG2 4.21Å; R468-N478 PolarHBondContact NH2-OD1 3.44Å
469Q90.2Very high88.2Confident111 Ų11140 Ų4052%0.51922%0.216SC..Hα-helixtrans-62.6-29.7178.4-70.3177.91.600112.4Q465 I466 G471Q465-Q469 WeakPolarHBondContact O-CG 3.43Å; Q465-Q469 PolarHBondContact O-N 2.88Å; I466-Q469 PolarHBondContact O-N 2.81Å; I466-Q469 VanDerWaalsContact O-N 3.1Å; Q469-G471 VanDerWaalsContact C-N 3.27Å
470L89.5Confident88.4Confident27 Ų2740 Ų4014%0.14122%0.216CC..THydrogen-bonded Turntrans-842.6175-63.3175.4000113.4A230 L231 K234 I466 G467 R468A230-L470 HydrophobicContact CB-CB 4.21Å; A230-L470 HydrophobicContact CB-CD1 3.69Å; L231-L470 HydrophobicContact CD2-CD1 3.82Å; L231-L470 HydrophobicContact CG-CD1 3.82Å; K234-L470 HydrophobicContact CB-CD2 4.45Å; K234-L470 HydrophobicContact CD-CD2 3.42Å; K234-L470 VanDerWaalsContact CD-CD2 3.42Å; I466-L470 HydrophobicContact CG2-CD1 3.67Å; I466-L470 HydrophobicContact CG2-CG 4.15Å; I466-L470 VanDerWaalsContact O-CG 3.28Å; I466-L470 WeakPolarHBondContact O-CG 3.46Å; I466-L470 PolarHBondContact O-N 3.26Å; G467-L470 PolarHBondContact O-N 3.32Å; R468-L470 PolarHBondContact O-N 2.92Å
471G87Confident88.5Confident59 Ų5939.8 Ų39.861%0.60822%0.22SC*.THydrogen-bonded Turntrans78.518.6177.700000114.6G467 R468 Q469G467-G471 PolarHBondContact O-N 3.35Å; R468-G471 PolarHBondContact O-N 3.22Å; Q469-G471 VanDerWaalsContact C-N 3.27Å
472L89.6Confident88.7Confident8 Ų840 Ų404%0.04222%0.218CC..  trans-66139.4173.9-66.3-178.5000110.9T226 V227 A230 L266 G467 V477T226-L472 HydrophobicContact CG2-CD1 4.01Å; T226-L472 HydrophobicContact CG2-CD2 3.96Å; V227-L472 HydrophobicContact CG2-CD1 3.66Å; A230-L472 HydrophobicContact CB-CD1 4.45Å; A230-L472 HydrophobicContact CB-CD2 4.19Å; A230-L472 HydrophobicContact CB-CG 4.42Å; L266-L472 HydrophobicContact CD1-CD2 3.59Å; L266-L472 HydrophobicContact CD2-CD2 4.34Å; L266-L472 HydrophobicContact CG-CD2 4.41Å; G467-L472 VanDerWaalsContact O-CB 3.26Å; G467-L472 WeakPolarHBondContact O-CB 3.46Å; G467-L472 WeakPolarHBondContact O-CG 3.38Å; G467-L472 PolarHBondContact O-N 3.47Å; L472-V477 HydrophobicContact CB-CG2 3.88Å
473P88Confident88.5Confident57 Ų5740.4 Ų40.437%0.3722%0.222SC..  trans-56.8141.8174.4-25.132.3000113.2A475 I476 V477P473-A475 PolarHBondContact O-N 2.92Å; P473-A475 VanDerWaalsContact O-N 3.11Å; P473-I476 HydrophobicContact CB-CD1 4.47Å; P473-I476 HydrophobicContact CG-CD1 4.16Å; P473-I476 PolarHBondContact O-N 3.37Å; P473-V477 PolarHBondContact O-N 3.02Å; P473-V477 VanDerWaalsContact O-N 3.16Å
474E87.2Confident88.1Confident92 Ų9243.3 Ų43.343%0.4325%0.252SS..Hα-helixtrans-56.6-30.5177.3-75.4-64.3138.300112.8R468 I476 V477 N478R468-E474 WeakPolarHBondContact CD-OE1 3.41Å; R468-E474 WeakPolarHBondContact CG-OE1 3.41Å; R468-E474 IonicContact CZ-OE1 2.83Å; R468-E474 IonicContact CZ-OE2 3.66Å; R468-E474 IonicContact NE-OE1 3.39Å; R468-E474 PolarHBondContact NE-OE1 3.5Å; R468-E474 IonicContact NE-OE2 3.99Å; R468-E474 PolarHBondContact NE-OE2 2.92Å; R468-E474 IonicContact NH2-OE1 3.09Å; R468-E474 IonicContact NH2-OE2 2.67Å; R468-E474 PolarHBondContact NH2-OE2 2.85Å; E474-I476 PolarHBondContact O-N 3.37Å; E474-V477 PolarHBondContact O-N 3.42Å; E474-N478 WeakPolarHBondContact O-CB 3.26Å; E474-N478 PolarHBondContact O-N 3.36Å; E474-N478 PolarHBondContact OE2-ND2 2.8Å
475A84.6Confident88Confident73 Ų7341.5 Ų41.560%0.60325%0.245SC*.Hα-helixtrans-63.2-21.917600000113.9P473P473-A475 PolarHBondContact O-N 2.92Å; P473-A475 VanDerWaalsContact O-N 3.11Å
476I86.4Confident88.1Confident4 Ų437.3 Ų37.32%0.02123%0.226CC..Hα-helixtrans-92.2-46.1173.1-58.1172.9000109.8T226 S262 P473 E474 N478 R479T226-I476 HydrophobicContact CG2-CD1 4.33Å; T226-I476 HydrophobicContact CG2-CG2 3.87Å; S262-I476 WeakPolarHBondContact OG-CD1 3.35Å; P473-I476 HydrophobicContact CB-CD1 4.47Å; P473-I476 HydrophobicContact CG-CD1 4.16Å; P473-I476 PolarHBondContact O-N 3.37Å; E474-I476 PolarHBondContact O-N 3.37Å; I476-N478 PolarHBondContact O-N 3.21Å; I476-R479 WeakPolarHBondContact O-CB 3.5Å; I476-R479 PolarHBondContact O-N 2.95Å; I476-R479 VanDerWaalsContact O-N 3.13Å
477V88.7Confident88.2Confident0 Ų037.2 Ų37.20%023%0.226CC..Hα-helixtrans-61.3-45.2-176176.70000111.2R464 R468 L472 P473 E474 R479R464-V477 HydrophobicContact CB-CG1 3.64Å; R464-V477 WeakPolarHBondContact CD-O 3.38Å; R464-V477 HydrophobicContact CG-CG1 4Å; R464-V477 WeakPolarHBondContact CG-O 3.43Å; R464-V477 PolarHBondContact NE-O 3.06Å; R464-V477 VanDerWaalsContact NE-O 3.12Å; R464-V477 WeakPolarHBondContact O-CG1 3.47Å; R468-V477 HydrophobicContact CG-CG1 3.96Å; R468-V477 HydrophobicContact CG-CG2 4.21Å; L472-V477 HydrophobicContact CB-CG2 3.88Å; P473-V477 PolarHBondContact O-N 3.02Å; P473-V477 VanDerWaalsContact O-N 3.16Å; E474-V477 PolarHBondContact O-N 3.42Å; V477-R479 VanDerWaalsContact C-N 3.27Å; V477-R479 PolarHBondContact O-N 3.4Å
478N86.6Confident88.4Confident37 Ų3737.2 Ų37.220%0.19823%0.226CC..THydrogen-bonded Turntrans-89.513.6178.8-60.5-34.4000113.1R468 E474 I476 H480R468-N478 PolarHBondContact NH2-OD1 3.44Å; E474-N478 WeakPolarHBondContact O-CB 3.26Å; E474-N478 PolarHBondContact O-N 3.36Å; E474-N478 PolarHBondContact OE2-ND2 2.8Å; I476-N478 PolarHBondContact O-N 3.21Å; N478-H480 PolarHBondContact O-N 3.02Å
479R86.4Confident88.5Confident30 Ų3032.6 Ų32.611%0.11321%0.208CC..PPolyproline II helixtrans-60.5131.3179.6-170.9172.4-67.8-178.75.8109.9G221 E255 I476 V477G221-R479 PolarHBondContact O-NH1 3.1Å; E255-R479 IonicContact OE1-CZ 3.69Å; E255-R479 IonicContact OE1-NE 3.91Å; E255-R479 IonicContact OE1-NH1 3.3Å; E255-R479 PolarHBondContact OE1-NH1 3.26Å; E255-R479 IonicContact OE2-NH1 3.06Å; I476-R479 WeakPolarHBondContact O-CB 3.5Å; I476-R479 PolarHBondContact O-N 2.95Å; I476-R479 VanDerWaalsContact O-N 3.13Å; V477-R479 VanDerWaalsContact C-N 3.27Å; V477-R479 PolarHBondContact O-N 3.4Å
480H88.8Confident88.7Confident7 Ų727.3 Ų27.33%0.03218%0.183CC..PPolyproline II helixtrans-64.4141.7172.4-71.1177.1000110.7R252 N478 M649 V652 D653 Q654 M655R252-H480 PolarHBondContact NH2-O 2.97Å; N478-H480 PolarHBondContact O-N 3.02Å; H480-M649 PolarHBondContact NE2-O 3.22Å; H480-M649 VanDerWaalsContact NE2-O 3.13Å; H480-V652 PolarHBondContact NE2-O 3.26Å; H480-D653 PolarHBondContact CD2-O 2.87Å; H480-Q654 HydrophobicContact CB-CG 4.34Å; H480-M655 PolarHBondContact ND1-N 2.96Å
481P85.1Confident89.1Confident44 Ų4426 Ų2629%0.28618%0.177SC..PPolyproline II helixtrans-50.1144.9171.3-25.834.4000112.5R252 D653 Q654 F691R252-P481 PolarHBondContact NH2-O 3.19Å; P481-D653 WeakPolarHBondContact CD-O 3.35Å; P481-Q654 PolarHBondContact O-NE2 3.18Å; P481-F691 HydrophobicContact CG-CE1 4.35Å
482F86.8Confident89.6Confident51 Ų5123.5 Ų23.522%0.22415%0.149CC..  trans-130.2133.3179.2-164.9-121.6000108.9L251 R252 L487L251-F482 HydrophobicContact CD2-CE1 4.2Å; R252-F482 HydrophobicContact CG-CD2 4.25Å; R252-F482 HydrophobicContact CG-CE1 4.43Å; R252-F482 HydrophobicContact CG-CE2 3.73Å; R252-F482 HydrophobicContact CG-CZ 3.83Å; R252-F482 VanDerWaalsContact NE-CD2 3.31Å; F482-L487 HydrophobicContact CE2-CD2 3.96Å; F482-L487 HydrophobicContact CZ-CD2 3.88Å; F482-L487 HydrophobicContact CZ-CG 3.95Å
483P85.6Confident90Very high19 Ų1923.9 Ų23.912%0.12315%0.152CC..  trans-64.3147.2-176.925.9-34.6000110.9G486 V489 E737P483-G486 VanDerWaalsContact O-CA 3.29Å; P483-G486 WeakPolarHBondContact O-CA 3.26Å; P483-G486 PolarHBondContact O-N 3.31Å; P483-V489 HydrophobicContact CB-CG2 3.92Å; P483-V489 HydrophobicContact CG-CG2 3.84Å; P483-E737 HydrophobicContact CB-CG 4.35Å; P483-E737 HydrophobicContact CG-CG 4.4Å
484G82.3Confident90.4Very high61 Ų6121.7 Ų21.763%0.62914%0.139SC*.THydrogen-bonded Turntrans-54.2-48179.700000113.9G486G484-G486 PolarHBondContact O-N 3.31Å; G484-G486 VanDerWaalsContact O-N 3.1Å
485P88.5Confident90.7Very high5 Ų519.2 Ų19.23%0.03213%0.134CC..THydrogen-bonded Turntrans-65.6-4.7171.6-24.836000115.4R381 I384 A488 V489R381-P485 HydrophobicContact CG-CG 3.55Å; I384-P485 HydrophobicContact CD1-CB 3.83Å; P485-A488 VanDerWaalsContact O-CB 3.3Å; P485-A488 WeakPolarHBondContact O-CB 3.41Å; P485-A488 PolarHBondContact O-N 2.97Å; P485-V489 HydrophobicContact CB-CB 4.5Å; P485-V489 HydrophobicContact CB-CG1 3.64Å; P485-V489 HydrophobicContact CB-CG2 4.19Å; P485-V489 HydrophobicContact CG-CG1 3.91Å
486G92Very high91.2Very high0 Ų022.8 Ų22.80%014%0.139CC..THydrogen-bonded Turntrans61.9-141.8-178.900000113.6P483 G484 A488 V489P483-G486 VanDerWaalsContact O-CA 3.29Å; P483-G486 WeakPolarHBondContact O-CA 3.26Å; P483-G486 PolarHBondContact O-N 3.31Å; G484-G486 PolarHBondContact O-N 3.31Å; G484-G486 VanDerWaalsContact O-N 3.1Å; G486-A488 PolarHBondContact O-N 3.35Å; G486-A488 VanDerWaalsContact O-N 3.14Å; G486-V489 VanDerWaalsContact O-CG2 3.29Å; G486-V489 WeakPolarHBondContact O-CG2 3.47Å
487L96Very high91.6Very high0 Ų025 Ų250%015%0.153CC..Hα-helixtrans-62.7-17.4179.5-64.4-178.8000113.4F250 F482 V489 R490 I491 L632 R633F250-L487 WeakPolarHBondContact O-CB 3.43Å; F250-L487 WeakPolarHBondContact O-CG 3.5Å; F250-L487 PolarHBondContact O-N 2.83Å; F482-L487 HydrophobicContact CE2-CD2 3.96Å; F482-L487 HydrophobicContact CZ-CD2 3.88Å; F482-L487 HydrophobicContact CZ-CG 3.95Å; L487-V489 VanDerWaalsContact C-N 3.26Å; L487-V489 PolarHBondContact O-N 2.94Å; L487-R490 CarbonylContact O-C 3.58Å; L487-R490 WeakPolarHBondContact O-CA 3.3Å; L487-R490 PolarHBondContact O-N 2.93Å; L487-I491 WeakPolarHBondContact O-CG1 3.35Å; L487-I491 PolarHBondContact O-N 2.82Å; L487-L632 HydrophobicContact CB-CD2 4.26Å; L487-L632 HydrophobicContact CD2-CD2 4Å; L487-L632 HydrophobicContact CD2-CG 4.24Å; L487-R633 HydrophobicContact CD1-CB 4.3Å; L487-R633 HydrophobicContact CD1-CG 3.28Å
488A96Very high92Very high0 Ų027.7 Ų27.70%016%0.164CC..Hα-helixtrans-58.8-36-178.500000113.3F250 K380 I384 P485 G486 L624F250-A488 HydrophobicContact CB-CB 4.4Å; F250-A488 HydrophobicContact CD1-CB 3.9Å; F250-A488 HydrophobicContact CD2-CB 4.16Å; F250-A488 HydrophobicContact CE1-CB 4.17Å; F250-A488 HydrophobicContact CE2-CB 4.41Å; F250-A488 HydrophobicContact CG-CB 3.9Å; F250-A488 HydrophobicContact CZ-CB 4.42Å; K380-A488 WeakPolarHBondContact CD-O 3.36Å; K380-A488 PolarHBondContact NZ-O 3.49Å; I384-A488 HydrophobicContact CD1-CB 3.61Å; P485-A488 VanDerWaalsContact O-CB 3.3Å; P485-A488 WeakPolarHBondContact O-CB 3.41Å; P485-A488 PolarHBondContact O-N 2.97Å; G486-A488 PolarHBondContact O-N 3.35Å; G486-A488 VanDerWaalsContact O-N 3.14Å; A488-L624 HydrophobicContact CB-CD1 3.83Å; A488-L624 HydrophobicContact CB-CD2 4.37Å
489V92.8Very high92.4Very high0 Ų029.7 Ų29.70%017%0.174CC..Hα-helixtrans-84.5-20.1175.4-68.60000113P483 P485 G486 L487 I491 E739P483-V489 HydrophobicContact CB-CG2 3.92Å; P483-V489 HydrophobicContact CG-CG2 3.84Å; P485-V489 HydrophobicContact CB-CB 4.5Å; P485-V489 HydrophobicContact CB-CG1 3.64Å; P485-V489 HydrophobicContact CB-CG2 4.19Å; P485-V489 HydrophobicContact CG-CG1 3.91Å; G486-V489 VanDerWaalsContact O-CG2 3.29Å; G486-V489 WeakPolarHBondContact O-CG2 3.47Å; L487-V489 VanDerWaalsContact C-N 3.26Å; L487-V489 PolarHBondContact O-N 2.94Å; V489-I491 VanDerWaalsContact C-N 3.28Å; V489-E739 HydrophobicContact CB-CG 4.17Å
490R96.1Very high92.7Very high0 Ų032.8 Ų32.80%019%0.189CC..Hα-helixtrans-83.2-3.9173.3-66.6-176.6174.6-173.9-1.4113.2L487 L632 D636 V657 V658 L659 E737L487-R490 CarbonylContact O-C 3.58Å; L487-R490 WeakPolarHBondContact O-CA 3.3Å; L487-R490 PolarHBondContact O-N 2.93Å; R490-L632 HydrophobicContact CB-CD2 3.85Å; R490-D636 IonicContact NH1-OD1 3.84Å; R490-V657 WeakPolarHBondContact CD-O 3.29Å; R490-V658 CarbonylContact O-C 3.58Å; R490-V658 WeakPolarHBondContact O-CA 3.19Å; R490-V658 VanDerWaalsContact O-CG1 3.29Å; R490-V658 WeakPolarHBondContact O-CG1 3.48Å; R490-L659 PolarHBondContact O-N 3.32Å; R490-E737 WeakPolarHBondContact CG-OE2 3.33Å; R490-E737 IonicContact CZ-OE1 3.11Å; R490-E737 IonicContact CZ-OE2 2.62Å; R490-E737 IonicContact NE-OE1 2.76Å; R490-E737 IonicContact NE-OE2 3.49Å; R490-E737 PolarHBondContact NE-OE2 3Å; R490-E737 IonicContact NH2-OE1 2.63Å; R490-E737 PolarHBondContact NH2-OE1 3.02Å; R490-E737 IonicContact NH2-OE2 3.64Å
491I97.7Very high93Very high0 Ų044.3 Ų44.30%023%0.233CC..BIsolated β-bridgetrans-105.7102.3171.7-60.5164.5000107.5K380 L487 V489 C493 T622 L624 V628 I629 L632 L659K380-I491 PolarHBondContact NZ-O 3.31Å; L487-I491 WeakPolarHBondContact O-CG1 3.35Å; L487-I491 PolarHBondContact O-N 2.82Å; V489-I491 VanDerWaalsContact C-N 3.28Å; I491-C493 PolarHBondContact O-N 2.96Å; I491-C493 PolarHBondContact O-SG 2.98Å; I491-T622 HydrophobicContact CG2-CG2 3.97Å; I491-L624 HydrophobicContact CB-CD2 3.8Å; I491-L624 HydrophobicContact CD1-CD2 3.79Å; I491-L624 HydrophobicContact CG1-CD2 4.37Å; I491-L624 HydrophobicContact CG2-CD2 4Å; I491-V628 HydrophobicContact CG2-CG1 3.8Å; I491-I629 HydrophobicContact CD1-CB 4.31Å; I491-I629 HydrophobicContact CD1-CG1 3.82Å; I491-L632 HydrophobicContact CD1-CB 4.45Å; I491-L632 HydrophobicContact CD1-CD2 4.13Å; I491-L632 HydrophobicContact CG1-CB 4.28Å; I491-L632 HydrophobicContact CG1-CD2 3.4Å; I491-L632 VanDerWaalsContact CG1-CD2 3.4Å; I491-L632 HydrophobicContact CG1-CG 4.48Å; I491-L659 HydrophobicContact CG1-CB 4.37Å; I491-L659 HydrophobicContact CG2-CD2 4.49Å
492L97.2Very high93.4Very high6 Ų644.8 Ų44.83%0.03123%0.232CC..  trans-70.4115.2174.8-86.663.5000108I558 V658 L659 I660 P661 W738L492-I558 HydrophobicContact CD2-CD1 4.19Å; L492-V658 HydrophobicContact CD1-CG1 3.55Å; L492-L659 PolarHBondContact N-O 3.3Å; L492-I660 HydrophobicContact CD2-CG2 4.09Å; L492-P661 WeakPolarHBondContact O-CD 3.21Å; L492-W738 HydrophobicContact CD1-CB 4.01Å; L492-W738 HydrophobicContact CD2-CE3 4.2Å
493C96.9Very high93.8Very high15 Ų1543.1 Ų43.110%0.10123%0.225CC..  trans-98.2137.3-178.5-670000108.6I375 K380 I491 T622I375-C493 HydrophobicContact CB-CB 4.04Å; I375-C493 HydrophobicContact CG2-CB 3.97Å; K380-C493 PolarHBondContact NZ-SG 3.39Å; K380-C493 VanDerWaalsContact NZ-SG 3.39Å; I491-C493 PolarHBondContact O-N 2.96Å; I491-C493 PolarHBondContact O-SG 2.98Å; C493-T622 CarbonylContact C-O 3.55Å; C493-T622 WeakPolarHBondContact CA-O 3.41Å; C493-T622 VanDerWaalsContact CB-O 3.22Å; C493-T622 WeakPolarHBondContact CB-O 3.23Å
494A96Very high94.2Very high12 Ų1246.3 Ų46.310%0.09925%0.248CC..BIsolated β-bridgetrans-150.2134.9-179.400000109.4I619 I621 T622 P661A494-I619 HydrophobicContact CB-CD1 4.09Å; A494-I619 HydrophobicContact CB-CG1 4.39Å; A494-I621 WeakPolarHBondContact O-CA 3.33Å; A494-T622 PolarHBondContact N-O 2.95Å; A494-T622 PolarHBondContact O-N 2.83Å; A494-P661 HydrophobicContact CB-CB 4.29Å; A494-P661 HydrophobicContact CB-CG 3.81Å
495A94.7Very high94.7Very high39 Ų3947.6 Ų47.632%0.32224%0.238SC..SBendtrans-97.9-27.5173.800000112Y623A495-Y623 VanDerWaalsContact CB-OH 3.29Å; A495-Y623 WeakPolarHBondContact CB-OH 3.42Å
496E95.1Very high95Very high149 Ų14947.5 Ų47.570%0.69624%0.237SC*.SBendtrans-143.4155-178.564.4-172.8167.900110.2
497P95.5Very high95.2Very high51 Ų5148.9 Ų48.933%0.33125%0.245SC..  trans-67.2134.4174.628-33.8000110.7I499 P557 I619P497-I499 HydrophobicContact CB-CD1 4.06Å; P497-I499 HydrophobicContact CB-CG1 4.21Å; P497-I499 HydrophobicContact CG-CD1 4.34Å; P497-I499 PolarHBondContact O-N 2.91Å; P497-P557 HydrophobicContact CB-CB 3.88Å; P497-P557 HydrophobicContact CB-CG 4.46Å; P497-I619 HydrophobicContact CB-CG1 4.35Å; P497-I619 HydrophobicContact CB-CG2 4.16Å
498Y95.9Very high95.1Very high55 Ų5551.5 Ų51.522%0.21626%0.263CS..  trans-81.9101173.7-178.2-108.5000109.5E500 P557 R559 Y572Y498-E500 HydrophobicContact CD2-CG 4.45Å; Y498-E500 HydrophobicContact CE1-CG 4.06Å; Y498-E500 HydrophobicContact CE2-CG 3.66Å; Y498-E500 WeakPolarHBondContact CE2-OE1 3.17Å; Y498-E500 VanDerWaalsContact CZ-CG 3.42Å; Y498-E500 WeakPolarHBondContact OH-CG 3.47Å; Y498-P557 PolarHBondContact N-O 2.91Å; Y498-P557 WeakPolarHBondContact O-CA 3.49Å; Y498-R559 HydrophobicContact CD1-CG 3.27Å; Y498-R559 HydrophobicContact CD2-CG 4.12Å; Y498-R559 HydrophobicContact CE1-CG 3.43Å; Y498-R559 VanDerWaalsContact CE1-CG 3.43Å; Y498-R559 HydrophobicContact CE2-CG 4.24Å; Y498-R559 HydrophobicContact CG-CG 3.65Å; Y498-Y572 AromaticContact CD1-CD1 3.93Å; Y498-Y572 HydrophobicContact CD1-CD1 3.93Å; Y498-Y572 AromaticContact CD1-CE1 3.23Å; Y498-Y572 HydrophobicContact CD1-CE1 3.23Å; Y498-Y572 AromaticContact CD1-CZ 3.68Å; Y498-Y572 HydrophobicContact CE1-CD1 4.19Å; Y498-Y572 AromaticContact CE1-CE1 3.51Å; Y498-Y572 HydrophobicContact CE1-CE1 3.51Å; Y498-Y572 HydrophobicContact CE1-CE2 4.18Å; Y498-Y572 AromaticContact CE1-CZ 3.48Å; Y498-Y572 VanDerWaalsContact CE1-CZ 3.48Å; Y498-Y572 WeakPolarHBondContact CE1-OH 3.16Å; Y498-Y572 HydrophobicContact CG-CE1 4.37Å; Y498-Y572 WeakPolarHBondContact O-CE1 3.26Å
499I94.4Very high95Very high80 Ų8051.6 Ų51.641%0.4126%0.264SS..  trans-133104.9-179.5-61.6175.4000108P497 F503 P557P497-I499 HydrophobicContact CB-CD1 4.06Å; P497-I499 HydrophobicContact CB-CG1 4.21Å; P497-I499 HydrophobicContact CG-CD1 4.34Å; P497-I499 PolarHBondContact O-N 2.91Å; I499-F503 HydrophobicContact CG1-CD2 4.37Å; I499-F503 HydrophobicContact CG1-CE2 4.37Å; I499-F503 HydrophobicContact CG2-CB 3.88Å; I499-F503 HydrophobicContact CG2-CD1 4.08Å; I499-F503 HydrophobicContact CG2-CD2 4.44Å; I499-F503 HydrophobicContact CG2-CG 3.89Å; I499-P557 HydrophobicContact CD1-CB 4.43Å; I499-P557 HydrophobicContact CG1-CB 4.03Å
500E94.1Very high95.2Very high94 Ų9451.6 Ų51.644%0.43926%0.264SS..  trans-97.9176.3178.4-70-65.3160.900110.9Y498 D502 F503 Y572Y498-E500 HydrophobicContact CD2-CG 4.45Å; Y498-E500 HydrophobicContact CE1-CG 4.06Å; Y498-E500 HydrophobicContact CE2-CG 3.66Å; Y498-E500 WeakPolarHBondContact CE2-OE1 3.17Å; Y498-E500 VanDerWaalsContact CZ-CG 3.42Å; Y498-E500 WeakPolarHBondContact OH-CG 3.47Å; E500-D502 WeakPolarHBondContact CB-OD1 3.47Å; E500-D502 PolarHBondContact O-N 3.4Å; E500-D502 VanDerWaalsContact O-N 3.16Å; E500-F503 VanDerWaalsContact O-CB 3.26Å; E500-F503 WeakPolarHBondContact O-CB 3.41Å; E500-F503 PolarHBondContact O-N 3.28Å; E500-F503 VanDerWaalsContact O-N 3.08Å; E500-Y572 WeakPolarHBondContact CB-OH 3.49Å; E500-Y572 PolarHBondContact N-OH 3Å
501R94Very high95.1Very high250 Ų25056.8 Ų56.894%0.94329%0.287SS*.THydrogen-bonded Turntrans-57.6-30.4-178-60.2-179.7-176.7-178.11113.3
502D93.3Very high94.8Very high53 Ų5357 Ų5728%0.28329%0.288SS..THydrogen-bonded Turntrans-87.4-6.3-178.464.4-15.1000113.9E500 S504 E505 T506 N600E500-D502 WeakPolarHBondContact CB-OD1 3.47Å; E500-D502 PolarHBondContact O-N 3.4Å; E500-D502 VanDerWaalsContact O-N 3.16Å; D502-S504 VanDerWaalsContact C-N 3.34Å; D502-S504 PolarHBondContact O-N 3.12Å; D502-E505 PolarHBondContact O-N 3.43Å; D502-T506 WeakPolarHBondContact O-CB 3.48Å; D502-T506 PolarHBondContact O-N 2.88Å; D502-T506 PolarHBondContact O-OG1 3.45Å; D502-N600 PolarHBondContact OD2-ND2 3.44Å
503F94.8Very high94.7Very high17 Ų1756.7 Ų56.78%0.07529%0.286CS..Hα-helixtrans-57.2-43.2-176.7-172.8-90.9000112.8I499 E500 T506 T507 V555 P557 Y572I499-F503 HydrophobicContact CG1-CD2 4.37Å; I499-F503 HydrophobicContact CG1-CE2 4.37Å; I499-F503 HydrophobicContact CG2-CB 3.88Å; I499-F503 HydrophobicContact CG2-CD1 4.08Å; I499-F503 HydrophobicContact CG2-CD2 4.44Å; I499-F503 HydrophobicContact CG2-CG 3.89Å; E500-F503 VanDerWaalsContact O-CB 3.26Å; E500-F503 WeakPolarHBondContact O-CB 3.41Å; E500-F503 PolarHBondContact O-N 3.28Å; E500-F503 VanDerWaalsContact O-N 3.08Å; F503-T506 PolarHBondContact O-N 3.08Å; F503-T507 WeakPolarHBondContact O-CB 3.42Å; F503-T507 PolarHBondContact O-N 3.16Å; F503-T507 PolarHBondContact O-OG1 2.91Å; F503-V555 HydrophobicContact CD2-CB 4.42Å; F503-V555 HydrophobicContact CD2-CG1 3.84Å; F503-V555 HydrophobicContact CE2-CB 3.86Å; F503-V555 HydrophobicContact CE2-CG1 3.5Å; F503-V555 VanDerWaalsContact CE2-CG1 3.5Å; F503-V555 HydrophobicContact CZ-CB 4.04Å; F503-V555 HydrophobicContact CZ-CG1 4.19Å; F503-P557 HydrophobicContact CE2-CB 4.32Å; F503-P557 HydrophobicContact CZ-CB 4.49Å; F503-Y572 HydrophobicContact CD2-CD1 4.29Å; F503-Y572 AromaticContact CD2-CE1 3.6Å; F503-Y572 HydrophobicContact CD2-CE1 3.6Å; F503-Y572 HydrophobicContact CD2-CE2 4.49Å; F503-Y572 AromaticContact CD2-CZ 3.74Å; F503-Y572 HydrophobicContact CE2-CD1 4.45Å; F503-Y572 HydrophobicContact CE2-CE1 4.06Å
504S94.1Very high94.5Very high85 Ų8556.5 Ų56.559%0.59429%0.285SS*.Hα-helixtrans-70.1-41-179.8-176.20000112.8D502 T506 T507 S508D502-S504 VanDerWaalsContact C-N 3.34Å; D502-S504 PolarHBondContact O-N 3.12Å; S504-T506 VanDerWaalsContact C-N 3.34Å; S504-T507 PolarHBondContact O-N 2.88Å; S504-S508 PolarHBondContact O-N 2.73Å; S504-S508 VanDerWaalsContact O-N 3.07Å; S504-S508 PolarHBondContact O-OG 3.34Å
505E93.9Very high94.4Very high89 Ų8956.8 Ų56.842%0.41629%0.289SS..Hα-helixtrans-62.6-45.9174.9-172.8-167.1149.700109.9D502 T507 S508 L509 L526 K529D502-E505 PolarHBondContact O-N 3.43Å; E505-T507 PolarHBondContact O-N 2.95Å; E505-S508 WeakPolarHBondContact O-CB 3.29Å; E505-S508 PolarHBondContact O-N 2.7Å; E505-S508 VanDerWaalsContact O-N 3.1Å; E505-L509 HydrophobicContact CG-CD1 4.25Å; E505-L509 PolarHBondContact O-N 2.65Å; E505-L526 HydrophobicContact CG-CD2 4.46Å; E505-K529 IonicContact OE1-NZ 3.59Å; E505-K529 PolarHBondContact OE1-NZ 2.91Å
506T95.3Very high94.3Very high3 Ų355.7 Ų55.72%0.01828%0.277CS..Hα-helixtrans-61.7-44179.6-520000111.5D502 F503 S504 S508 L509 I510 V555 N600 I601D502-T506 WeakPolarHBondContact O-CB 3.48Å; D502-T506 PolarHBondContact O-N 2.88Å; D502-T506 PolarHBondContact O-OG1 3.45Å; F503-T506 PolarHBondContact O-N 3.08Å; S504-T506 VanDerWaalsContact C-N 3.34Å; T506-S508 VanDerWaalsContact C-N 3.27Å; T506-S508 PolarHBondContact O-N 2.87Å; T506-L509 WeakPolarHBondContact O-CB 3.29Å; T506-L509 PolarHBondContact O-N 2.91Å; T506-I510 WeakPolarHBondContact O-CG1 3.4Å; T506-I510 PolarHBondContact O-N 3.42Å; T506-V555 HydrophobicContact CG2-CG2 3.8Å; T506-N600 PolarHBondContact OG1-ND2 3.12Å; T506-I601 HydrophobicContact CG2-CD1 3.55Å; T506-I601 HydrophobicContact CG2-CG1 3.89Å
507T95.5Very high94.2Very high28 Ų2851.3 Ų51.317%0.17226%0.256CS..Hα-helixtrans-58.7-40.3174.2-62.90000111.7F503 S504 E505 I510 K511 V555F503-T507 WeakPolarHBondContact O-CB 3.42Å; F503-T507 PolarHBondContact O-N 3.16Å; F503-T507 PolarHBondContact O-OG1 2.91Å; S504-T507 PolarHBondContact O-N 2.88Å; E505-T507 PolarHBondContact O-N 2.95Å; T507-I510 WeakPolarHBondContact O-CG1 3.31Å; T507-K511 HydrophobicContact CG2-CD 4.31Å; T507-K511 VanDerWaalsContact O-CG 3.27Å; T507-K511 WeakPolarHBondContact O-CG 3.27Å; T507-K511 PolarHBondContact O-N 2.86Å; T507-V555 WeakPolarHBondContact OG1-CG2 3.38Å
508S94.1Very high94Very high55 Ų5555.3 Ų55.339%0.38527%0.27SS..Hα-helixtrans-68.8-40177.4-56.20000111.8S504 E505 T506 M512S504-S508 PolarHBondContact O-N 2.73Å; S504-S508 VanDerWaalsContact O-N 3.07Å; S504-S508 PolarHBondContact O-OG 3.34Å; E505-S508 WeakPolarHBondContact O-CB 3.29Å; E505-S508 PolarHBondContact O-N 2.7Å; E505-S508 VanDerWaalsContact O-N 3.1Å; T506-S508 VanDerWaalsContact C-N 3.27Å; T506-S508 PolarHBondContact O-N 2.87Å; S508-M512 PolarHBondContact O-N 2.71Å
509L94.5Very high93.6Very high2 Ų256.2 Ų56.21%0.0128%0.277CS..Hα-helixtrans-62.9-49.5176.6-82.3165.3000112.5E505 T506 K511 M512 I513 L526 K529E505-L509 HydrophobicContact CG-CD1 4.25Å; E505-L509 PolarHBondContact O-N 2.65Å; T506-L509 WeakPolarHBondContact O-CB 3.29Å; T506-L509 PolarHBondContact O-N 2.91Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 2.8Å; L509-M512 WeakPolarHBondContact O-CA 3.47Å; L509-M512 WeakPolarHBondContact O-CB 3.26Å; L509-M512 PolarHBondContact O-N 3.49Å; L509-M512 VanDerWaalsContact O-N 3.08Å; L509-I513 WeakPolarHBondContact O-CG1 3.45Å; L509-I513 PolarHBondContact O-N 2.81Å; L509-L526 HydrophobicContact CD2-CB 3.83Å; L509-L526 HydrophobicContact CD2-CD1 4.29Å; L509-L526 HydrophobicContact CD2-CD2 3.91Å; L509-L526 HydrophobicContact CD2-CG 4.21Å; L509-L526 HydrophobicContact CG-CD1 4.24Å; L509-L526 HydrophobicContact CG-CD2 4.09Å; L509-K529 HydrophobicContact CD1-CD 3.98Å; L509-K529 HydrophobicContact CD2-CB 4.49Å; L509-K529 HydrophobicContact CD2-CD 4.1Å; L509-K529 HydrophobicContact CD2-CG 4.47Å
510I95.5Very high93.3Very high1 Ų154.2 Ų54.21%0.00527%0.271CS..Hα-helixtrans-66.7-33.3-178.763.3168.9000112.6T506 T507 M512 I513 S514 A553 V555 I594 I601T506-I510 WeakPolarHBondContact O-CG1 3.4Å; T506-I510 PolarHBondContact O-N 3.42Å; T507-I510 WeakPolarHBondContact O-CG1 3.31Å; I510-M512 VanDerWaalsContact C-N 3.29Å; I510-I513 PolarHBondContact O-N 2.9Å; I510-S514 PolarHBondContact O-N 2.79Å; I510-A553 HydrophobicContact CB-CB 4.1Å; I510-A553 HydrophobicContact CD1-CB 3.96Å; I510-A553 HydrophobicContact CG1-CB 4.06Å; I510-V555 HydrophobicContact CD1-CB 4.36Å; I510-V555 HydrophobicContact CD1-CG2 3.43Å; I510-V555 VanDerWaalsContact CD1-CG2 3.43Å; I510-V555 VanDerWaalsContact CD1-N 3.3Å; I510-V555 HydrophobicContact CG1-CG2 4.16Å; I510-I594 HydrophobicContact CG2-CG2 4.26Å; I510-I601 HydrophobicContact CG2-CD1 3.39Å
511K93.7Very high93Very high109 Ų10956.3 Ų56.347%0.47428%0.281SS..Hα-helixtrans-64.4-38172.2-75175.9-179.9179.80111.1T507 L509 S514 G515T507-K511 HydrophobicContact CG2-CD 4.31Å; T507-K511 VanDerWaalsContact O-CG 3.27Å; T507-K511 WeakPolarHBondContact O-CG 3.27Å; T507-K511 PolarHBondContact O-N 2.86Å; L509-K511 VanDerWaalsContact C-N 3.31Å; L509-K511 PolarHBondContact O-N 2.8Å; K511-S514 PolarHBondContact O-N 2.74Å; K511-S514 PolarHBondContact O-OG 3.23Å; K511-G515 PolarHBondContact O-N 2.82Å
512M92.8Very high92.6Very high3 Ų351.9 Ų51.92%0.01527%0.268CS..Hα-helixtrans-66.4-39.2174.1-167.4169-70.400112.7S508 L509 I510 G515 Y516 M519 H524 L526 L527 I530S508-M512 PolarHBondContact O-N 2.71Å; L509-M512 WeakPolarHBondContact O-CA 3.47Å; L509-M512 WeakPolarHBondContact O-CB 3.26Å; L509-M512 PolarHBondContact O-N 3.49Å; L509-M512 VanDerWaalsContact O-N 3.08Å; I510-M512 VanDerWaalsContact C-N 3.29Å; M512-G515 CarbonylContact O-C 3.47Å; M512-G515 PolarHBondContact O-N 2.62Å; M512-Y516 WeakPolarHBondContact O-CA 3.45Å; M512-Y516 PolarHBondContact O-N 2.95Å; M512-M519 VanDerWaalsContact CA-SD 3.58Å; M512-M519 HydrophobicContact CB-CE 4.08Å; M512-M519 HydrophobicContact CB-SD 4.21Å; M512-M519 HydrophobicContact CE-CE 3.51Å; M512-M519 HydrophobicContact CG-CB 4.25Å; M512-M519 HydrophobicContact CG-CE 3.96Å; M512-M519 HydrophobicContact CG-SD 4.16Å; M512-H524 HydrophobicContact CE-CB 4Å; M512-H524 WeakPolarHBondContact CE-CE1 3.49Å; M512-H524 WeakPolarHBondContact CE-ND1 3.38Å; M512-L526 HydrophobicContact CE-CB 3.92Å; M512-L526 HydrophobicContact CE-CD1 4.33Å; M512-L526 HydrophobicContact SD-CB 3.69Å; M512-L527 HydrophobicContact SD-CB 4.3Å; M512-I530 HydrophobicContact CB-CD1 3.91Å; M512-I530 HydrophobicContact CG-CD1 3.56Å; M512-I530 HydrophobicContact SD-CD1 3.84Å
513I94.3Very high92.1Very high1 Ų155.8 Ų55.81%0.00530%0.296CS..Hα-helixtrans-65.6-44.4175.5-63.9164.5000110.2L509 I510 G515 Y516 I530 L542 T546 L590 I594 I597L509-I513 WeakPolarHBondContact O-CG1 3.45Å; L509-I513 PolarHBondContact O-N 2.81Å; I510-I513 PolarHBondContact O-N 2.9Å; I513-G515 VanDerWaalsContact C-N 3.3Å; I513-G515 PolarHBondContact O-N 2.85Å; I513-Y516 WeakPolarHBondContact O-CB 3.42Å; I513-Y516 PolarHBondContact O-N 2.87Å; I513-I530 HydrophobicContact CG1-CD1 3.81Å; I513-I530 HydrophobicContact CG1-CG1 4.03Å; I513-L542 HydrophobicContact CG2-CD1 4.15Å; I513-L542 HydrophobicContact CG2-CD2 4.47Å; I513-T546 WeakPolarHBondContact O-CG2 3.49Å; I513-L590 HydrophobicContact CG2-CD2 4.14Å; I513-I594 HydrophobicContact CD1-CG1 4.25Å; I513-I594 HydrophobicContact CG2-CG1 3.97Å; I513-I597 HydrophobicContact CD1-CB 4.14Å; I513-I597 HydrophobicContact CD1-CD1 3.74Å; I513-I597 HydrophobicContact CD1-CG2 3.99Å; I513-I597 HydrophobicContact CG1-CD1 4.06Å
514S93.3Very high91.6Very high11 Ų1159.2 Ų59.28%0.07731%0.312CS..Hα-helixtrans-71-24.4-179.776.10000113.6I510 K511 T546 L551I510-S514 PolarHBondContact O-N 2.79Å; K511-S514 PolarHBondContact O-N 2.74Å; K511-S514 PolarHBondContact O-OG 3.23Å; S514-T546 VanDerWaalsContact O-CG2 3.23Å; S514-T546 WeakPolarHBondContact O-CG2 3.4Å; S514-L551 WeakPolarHBondContact CB-O 3.39Å; S514-L551 PolarHBondContact OG-O 2.56Å; S514-L551 VanDerWaalsContact OG-O 3.12Å
515G92.8Very high91.1Very high18 Ų1859 Ų5919%0.18632%0.316CS..THydrogen-bonded Turntrans-107.522175.500000114.8K511 M512 I513 H517 Q518 M519K511-G515 PolarHBondContact O-N 2.82Å; M512-G515 CarbonylContact O-C 3.47Å; M512-G515 PolarHBondContact O-N 2.62Å; I513-G515 VanDerWaalsContact C-N 3.3Å; I513-G515 PolarHBondContact O-N 2.85Å; G515-H517 PolarHBondContact O-N 3.36Å; G515-Q518 PolarHBondContact O-N 3.07Å; G515-M519 WeakPolarHBondContact O-CB 3.44Å; G515-M519 WeakPolarHBondContact O-CG 3.26Å; G515-M519 PolarHBondContact O-N 3.37Å
516Y93.8Very high90.7Very high15 Ų1556.3 Ų56.36%0.05930%0.304CS..Hα-helixtrans-54.2-43.2-165.9179.2-94.7000114.3M512 I513 Q518 M519 S520 L527 I530 N531 L542M512-Y516 WeakPolarHBondContact O-CA 3.45Å; M512-Y516 PolarHBondContact O-N 2.95Å; I513-Y516 WeakPolarHBondContact O-CB 3.42Å; I513-Y516 PolarHBondContact O-N 2.87Å; Y516-Q518 PolarHBondContact O-N 3.08Å; Y516-M519 PolarHBondContact O-N 2.92Å; Y516-S520 WeakPolarHBondContact O-CB 3.34Å; Y516-S520 PolarHBondContact O-N 3.2Å; Y516-S520 PolarHBondContact O-OG 3.2Å; Y516-L527 HydrophobicContact CD2-CD1 4.03Å; Y516-L527 HydrophobicContact CE2-CD1 3.5Å; Y516-I530 HydrophobicContact CD2-CD1 4.47Å; Y516-I530 HydrophobicContact CD2-CG2 4.01Å; Y516-I530 HydrophobicContact CE2-CG2 3.77Å; Y516-N531 PolarHBondContact OH-OD1 2.98Å; Y516-L542 HydrophobicContact CD1-CB 4.25Å; Y516-L542 HydrophobicContact CD1-CD2 3.9Å; Y516-L542 HydrophobicContact CD1-CG 3.79Å; Y516-L542 HydrophobicContact CD2-CD2 3.59Å; Y516-L542 HydrophobicContact CD2-CG 4.33Å; Y516-L542 HydrophobicContact CE1-CD2 4.39Å; Y516-L542 HydrophobicContact CE2-CD2 4.11Å; Y516-L542 HydrophobicContact CG-CD2 3.47Å; Y516-L542 VanDerWaalsContact CG-CD2 3.47Å; Y516-L542 HydrophobicContact CG-CG 3.69Å
517H93.1Very high90.4Very high58 Ų5857 Ų5727%0.26931%0.308SS..Hα-helixtrans-58.3-47.7-179.3-178.867000112.9G515 S520 Q521 S543 T546 A547G515-H517 PolarHBondContact O-N 3.36Å; H517-S520 PolarHBondContact O-OG 3.02Å; H517-Q521 WeakPolarHBondContact O-CG 3.5Å; H517-S543 PolarHBondContact ND1-OG 3.33Å; H517-T546 WeakPolarHBondContact CB-OG1 3.38Å; H517-T546 PolarHBondContact N-OG1 3.29Å; H517-A547 HydrophobicContact CB-CB 4.12Å
518Q90.4Very high90Very high134 Ų13461.1 Ų61.163%0.62633%0.329SS*.Hα-helixtrans-73.7-38.9-179.5-65.3179.2500111.2G515 Y516G515-Q518 PolarHBondContact O-N 3.07Å; Y516-Q518 PolarHBondContact O-N 3.08Å
519M88.2Confident89.7Confident74 Ų7462.7 Ų62.737%0.36533%0.329SS..Hα-helixtrans-77.6-28.8-174.6-65.1-175.772.100113.2M512 G515 Y516 Q521 K522M512-M519 VanDerWaalsContact CA-SD 3.58Å; M512-M519 HydrophobicContact CB-CE 4.08Å; M512-M519 HydrophobicContact CB-SD 4.21Å; M512-M519 HydrophobicContact CE-CE 3.51Å; M512-M519 HydrophobicContact CG-CB 4.25Å; M512-M519 HydrophobicContact CG-CE 3.96Å; M512-M519 HydrophobicContact CG-SD 4.16Å; G515-M519 WeakPolarHBondContact O-CB 3.44Å; G515-M519 WeakPolarHBondContact O-CG 3.26Å; G515-M519 PolarHBondContact O-N 3.37Å; Y516-M519 PolarHBondContact O-N 2.92Å; M519-Q521 PolarHBondContact O-N 3.48Å; M519-K522 PolarHBondContact O-N 2.96Å; M519-K522 VanDerWaalsContact O-O 3.06Å
520S87.8Confident89.5Confident38 Ų3862.6 Ų62.627%0.26633%0.328SS..THydrogen-bonded Turntrans-69.6-14.917658.50000113.9Y516 H517 K522Y516-S520 WeakPolarHBondContact O-CB 3.34Å; Y516-S520 PolarHBondContact O-N 3.2Å; Y516-S520 PolarHBondContact O-OG 3.2Å; H517-S520 PolarHBondContact O-OG 3.02Å; S520-K522 PolarHBondContact O-N 2.86Å
521Q87.4Confident89.2Confident139 Ų13964.8 Ų64.865%0.6534%0.34SS*.THydrogen-bonded Turntrans-71-14.9174.5-62.8176.91.100113H517 M519H517-Q521 WeakPolarHBondContact O-CG 3.5Å; M519-Q521 PolarHBondContact O-N 3.48Å
522K85.7Confident88.9Confident157 Ų15764 Ų6468%0.68335%0.354SS*.SBendtrans-120.3139.4177.4-65.8-178.2-178.3177.80109.9M519 S520 H524M519-K522 PolarHBondContact O-N 2.96Å; M519-K522 VanDerWaalsContact O-O 3.06Å; S520-K522 PolarHBondContact O-N 2.86Å; K522-H524 PolarHBondContact O-N 2.59Å
523P82.2Confident88.7Confident135 Ų13565.5 Ų65.588%0.87737%0.366SS*.  trans-6312917626.3-32.9000110
524H84.2Confident88.5Confident88 Ų8865.7 Ų65.741%0.40737%0.368SS..  trans-144.1137.7178.1-167.3-73.3000110.3M512 K522 L526 L527M512-H524 HydrophobicContact CE-CB 4Å; M512-H524 WeakPolarHBondContact CE-CE1 3.49Å; M512-H524 WeakPolarHBondContact CE-ND1 3.38Å; K522-H524 PolarHBondContact O-N 2.59Å; H524-L526 VanDerWaalsContact C-N 3.35Å; H524-L526 WeakPolarHBondContact ND1-CB 2.99Å; H524-L526 PolarHBondContact ND1-N 3.28Å; H524-L526 PolarHBondContact O-N 3.27Å; H524-L527 HydrophobicContact CB-CB 4.33Å; H524-L527 WeakPolarHBondContact O-CB 3.08Å; H524-L527 PolarHBondContact O-N 2.97Å
525A84Confident88.3Confident82 Ų8272.3 Ų72.368%0.67839%0.391SS*.Hα-helixtrans-57.1-44.9-17700000113L527 N528A525-L527 PolarHBondContact O-N 2.93Å; A525-N528 WeakPolarHBondContact O-CB 3.36Å; A525-N528 PolarHBondContact O-N 3.07Å
526L86.3Confident88.2Confident32 Ų3276.3 Ų76.317%0.16841%0.414CS..Hα-helixtrans-64-21.1176.7-59.9177.2000114.4E505 L509 M512 H524 N528 K529 I530E505-L526 HydrophobicContact CG-CD2 4.46Å; L509-L526 HydrophobicContact CD2-CB 3.83Å; L509-L526 HydrophobicContact CD2-CD1 4.29Å; L509-L526 HydrophobicContact CD2-CD2 3.91Å; L509-L526 HydrophobicContact CD2-CG 4.21Å; L509-L526 HydrophobicContact CG-CD1 4.24Å; L509-L526 HydrophobicContact CG-CD2 4.09Å; M512-L526 HydrophobicContact CE-CB 3.92Å; M512-L526 HydrophobicContact CE-CD1 4.33Å; M512-L526 HydrophobicContact SD-CB 3.69Å; H524-L526 VanDerWaalsContact C-N 3.35Å; H524-L526 WeakPolarHBondContact ND1-CB 2.99Å; H524-L526 PolarHBondContact ND1-N 3.28Å; H524-L526 PolarHBondContact O-N 3.27Å; L526-N528 VanDerWaalsContact C-N 3.26Å; L526-N528 PolarHBondContact O-N 2.9Å; L526-K529 WeakPolarHBondContact O-CB 3.28Å; L526-K529 PolarHBondContact O-N 3.27Å; L526-I530 PolarHBondContact O-N 3.35Å
527L87.9Confident88Confident17 Ų1782.7 Ų82.79%0.08944%0.444CS..Hα-helixtrans-64.4-35.2177.2-174.766.2000110.9M512 Y516 H524 A525 K529 I530 N531M512-L527 HydrophobicContact SD-CB 4.3Å; Y516-L527 HydrophobicContact CD2-CD1 4.03Å; Y516-L527 HydrophobicContact CE2-CD1 3.5Å; H524-L527 HydrophobicContact CB-CB 4.33Å; H524-L527 WeakPolarHBondContact O-CB 3.08Å; H524-L527 PolarHBondContact O-N 2.97Å; A525-L527 PolarHBondContact O-N 2.93Å; L527-K529 VanDerWaalsContact C-N 3.28Å; L527-K529 PolarHBondContact O-N 3.11Å; L527-I530 PolarHBondContact O-N 2.97Å; L527-N531 WeakPolarHBondContact O-CB 3.43Å; L527-N531 PolarHBondContact O-N 3.42Å
528N87.7Confident88Confident115 Ų11580.5 Ų80.562%0.61543%0.434SS*.Hα-helixtrans-62.1-37.1176.2-65.9-18.9000111.7A525 L526 N531 A532A525-N528 WeakPolarHBondContact O-CB 3.36Å; A525-N528 PolarHBondContact O-N 3.07Å; L526-N528 VanDerWaalsContact C-N 3.26Å; L526-N528 PolarHBondContact O-N 2.9Å; N528-N531 PolarHBondContact O-N 2.68Å; N528-A532 WeakPolarHBondContact O-CB 3.13Å; N528-A532 PolarHBondContact O-N 3.42Å
529K87.9Confident88.1Confident88 Ų8876.2 Ų76.238%0.38341%0.414SS..Hα-helixtrans-66.1-40.4177-173.5167.9173.1173.50111.5E505 L509 L526 L527 A533E505-K529 IonicContact OE1-NZ 3.59Å; E505-K529 PolarHBondContact OE1-NZ 2.91Å; L509-K529 HydrophobicContact CD1-CD 3.98Å; L509-K529 HydrophobicContact CD2-CB 4.49Å; L509-K529 HydrophobicContact CD2-CD 4.1Å; L509-K529 HydrophobicContact CD2-CG 4.47Å; L526-K529 WeakPolarHBondContact O-CB 3.28Å; L526-K529 PolarHBondContact O-N 3.27Å; L527-K529 VanDerWaalsContact C-N 3.28Å; L527-K529 PolarHBondContact O-N 3.11Å; K529-A533 PolarHBondContact O-N 3.45Å
530I89.8Confident88.3Confident0 Ų078.3 Ų78.30%042%0.423CS..Hα-helixtrans-64.6-50.5174.5-63.4169.1000110.4M512 I513 Y516 L526 L527 A532 A533 A534 L542 I597M512-I530 HydrophobicContact CB-CD1 3.91Å; M512-I530 HydrophobicContact CG-CD1 3.56Å; M512-I530 HydrophobicContact SD-CD1 3.84Å; I513-I530 HydrophobicContact CG1-CD1 3.81Å; I513-I530 HydrophobicContact CG1-CG1 4.03Å; Y516-I530 HydrophobicContact CD2-CD1 4.47Å; Y516-I530 HydrophobicContact CD2-CG2 4.01Å; Y516-I530 HydrophobicContact CE2-CG2 3.77Å; L526-I530 PolarHBondContact O-N 3.35Å; L527-I530 PolarHBondContact O-N 2.97Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 3.19Å; I530-A533 PolarHBondContact O-N 2.92Å; I530-A534 WeakPolarHBondContact O-CB 3.36Å; I530-A534 PolarHBondContact O-N 3.31Å; I530-L542 HydrophobicContact CG2-CD2 4.28Å; I530-I597 HydrophobicContact CG1-CG2 4.09Å; I530-I597 HydrophobicContact CG2-CD1 3.99Å
531N89.3Confident88.6Confident47 Ų4780.9 Ų80.925%0.25143%0.427SS..Hα-helixtrans-69.3-28.7-175-68.9-5.9000113.2Y516 L527 N528 A533 A534 Q539Y516-N531 PolarHBondContact OH-OD1 2.98Å; L527-N531 WeakPolarHBondContact O-CB 3.43Å; L527-N531 PolarHBondContact O-N 3.42Å; N528-N531 PolarHBondContact O-N 2.68Å; N531-A533 VanDerWaalsContact C-N 3.32Å; N531-A534 VanDerWaalsContact O-O 3.11Å; N531-Q539 PolarHBondContact O-NE2 3.48Å; N531-Q539 VanDerWaalsContact O-NE2 3.16Å
532A89.1Confident89Confident93 Ų9374.2 Ų74.277%0.76940%0.396SS*.Hα-helixtrans-68.4-31.3174.100000112.6N528 I530N528-A532 WeakPolarHBondContact O-CB 3.13Å; N528-A532 PolarHBondContact O-N 3.42Å; I530-A532 VanDerWaalsContact C-N 3.32Å; I530-A532 PolarHBondContact O-N 3.19Å
533A88.2Confident89.4Confident33 Ų3368.2 Ų68.227%0.27337%0.374SS..Hα-helixtrans-95.8-18.6-177.900000114.1K529 I530 N531 I597K529-A533 PolarHBondContact O-N 3.45Å; I530-A533 PolarHBondContact O-N 2.92Å; N531-A533 VanDerWaalsContact C-N 3.32Å; A533-I597 HydrophobicContact CB-CB 4.48Å; A533-I597 HydrophobicContact CB-CG1 3.9Å
534A88.8Confident89.9Confident5 Ų568.5 Ų68.54%0.04136%0.361CS..SBendtrans-105.2130.3-179.200000111.6I530 N531 E538 Q539 L593I530-A534 WeakPolarHBondContact O-CB 3.36Å; I530-A534 PolarHBondContact O-N 3.31Å; N531-A534 VanDerWaalsContact O-O 3.11Å; A534-E538 HydrophobicContact CB-CB 4.42Å; A534-Q539 HydrophobicContact CB-CG 3.85Å; A534-Q539 PolarHBondContact O-NE2 2.63Å; A534-L593 HydrophobicContact CB-CD1 4.05Å
535R90.5Very high90.3Very high150 Ų15065 Ų6557%0.56635%0.346SS*.  trans-65.2156.6174.7-65.4171.4-69172.80.3111.3E537 E538 Q539R535-E537 VanDerWaalsContact C-N 3.27Å; R535-E537 PolarHBondContact O-N 3.4Å; R535-E538 HydrophobicContact CB-CB 4.46Å; R535-E538 HydrophobicContact CB-CG 4.17Å; R535-E538 WeakPolarHBondContact CB-OE2 3.49Å; R535-E538 WeakPolarHBondContact CG-OE2 3.35Å; R535-E538 IonicContact CZ-OE1 3.92Å; R535-E538 IonicContact CZ-OE2 3.34Å; R535-E538 PolarHBondContact N-OE2 3.13Å; R535-E538 IonicContact NE-OE1 3.08Å; R535-E538 IonicContact NE-OE2 2.87Å; R535-E538 PolarHBondContact NE-OE2 3.46Å; R535-E538 VanDerWaalsContact NH2-CD 3.26Å; R535-E538 IonicContact NH2-OE1 2.75Å; R535-E538 PolarHBondContact NH2-OE1 3.2Å; R535-E538 IonicContact NH2-OE2 3.76Å; R535-E538 CarbonylContact O-C 3.59Å; R535-E538 WeakPolarHBondContact O-CA 3.36Å; R535-E538 WeakPolarHBondContact O-CB 3.39Å; R535-E538 PolarHBondContact O-N 3.02Å; R535-Q539 WeakPolarHBondContact O-CG 3.49Å; R535-Q539 PolarHBondContact O-N 3.03Å
536P89.2Confident90.8Very high103 Ų10361.3 Ų61.367%0.66931%0.314SS*.Hα-helixtrans-53.1-40.2179.1-28.435.8000114.3Q539 Q540P536-Q539 PolarHBondContact O-N 3.2Å; P536-Q540 PolarHBondContact O-N 2.99Å
537E91Very high91Very high148 Ų14861.2 Ų61.269%0.69232%0.318SS*.Hα-helixtrans-65.1-38.9175.7-62.7178.7178.700112.4R535 Q540 R541R535-E537 VanDerWaalsContact C-N 3.27Å; R535-E537 PolarHBondContact O-N 3.4Å; E537-Q540 PolarHBondContact O-N 3.13Å; E537-R541 WeakPolarHBondContact O-CB 3.29Å; E537-R541 PolarHBondContact O-N 2.93Å
538E92.4Very high90.5Very high12 Ų1267.8 Ų67.86%0.05635%0.353CS..Hα-helixtrans-69.5-38.9176.6-64177.1129.600111A534 R535 Q540 R541 L542 F589 R596A534-E538 HydrophobicContact CB-CB 4.42Å; R535-E538 HydrophobicContact CB-CB 4.46Å; R535-E538 HydrophobicContact CB-CG 4.17Å; R535-E538 WeakPolarHBondContact CB-OE2 3.49Å; R535-E538 WeakPolarHBondContact CG-OE2 3.35Å; R535-E538 IonicContact CZ-OE1 3.92Å; R535-E538 IonicContact CZ-OE2 3.34Å; R535-E538 PolarHBondContact N-OE2 3.13Å; R535-E538 IonicContact NE-OE1 3.08Å; R535-E538 IonicContact NE-OE2 2.87Å; R535-E538 PolarHBondContact NE-OE2 3.46Å; R535-E538 VanDerWaalsContact NH2-CD 3.26Å; R535-E538 IonicContact NH2-OE1 2.75Å; R535-E538 PolarHBondContact NH2-OE1 3.2Å; R535-E538 IonicContact NH2-OE2 3.76Å; R535-E538 CarbonylContact O-C 3.59Å; R535-E538 WeakPolarHBondContact O-CA 3.36Å; R535-E538 WeakPolarHBondContact O-CB 3.39Å; R535-E538 PolarHBondContact O-N 3.02Å; E538-Q540 VanDerWaalsContact C-N 3.33Å; E538-Q540 PolarHBondContact O-N 3.38Å; E538-R541 PolarHBondContact O-N 2.78Å; E538-L542 VanDerWaalsContact O-CB 3.24Å; E538-L542 WeakPolarHBondContact O-CB 3.34Å; E538-L542 PolarHBondContact O-N 2.91Å; E538-F589 HydrophobicContact CB-CE2 4.14Å; E538-F589 HydrophobicContact CB-CZ 4Å; E538-F589 HydrophobicContact CG-CE2 4.11Å; E538-F589 HydrophobicContact CG-CZ 4.47Å; E538-F589 WeakPolarHBondContact O-CZ 3.48Å; E538-R596 VanDerWaalsContact CD-NH1 3.31Å; E538-R596 IonicContact OE1-CZ 2.66Å; E538-R596 IonicContact OE1-NH1 3.78Å; E538-R596 PolarHBondContact OE1-NH1 2.77Å; E538-R596 IonicContact OE1-NH2 3.77Å; E538-R596 PolarHBondContact OE1-NH2 2.79Å; E538-R596 IonicContact OE2-NH1 2.91Å; E538-R596 PolarHBondContact OE2-NH1 2.84Å; E538-R596 VanDerWaalsContact OE2-NH1 3.09Å
539Q92.8Very high89.8Confident44 Ų4466.7 Ų66.721%0.20634%0.341CS..Hα-helixtrans-61.3-42.5173.3-66.7175.127.300111.1N531 A534 R535 P536 L542 S543N531-Q539 PolarHBondContact O-NE2 3.48Å; N531-Q539 VanDerWaalsContact O-NE2 3.16Å; A534-Q539 HydrophobicContact CB-CG 3.85Å; A534-Q539 PolarHBondContact O-NE2 2.63Å; R535-Q539 WeakPolarHBondContact O-CG 3.49Å; R535-Q539 PolarHBondContact O-N 3.03Å; P536-Q539 PolarHBondContact O-N 3.2Å; Q539-L542 PolarHBondContact O-N 3.47Å; Q539-S543 WeakPolarHBondContact O-CB 3.5Å; Q539-S543 PolarHBondContact O-N 2.76Å
540Q93.3Very high89.6Confident119 Ų11965.5 Ų65.556%0.55634%0.343SS*.Hα-helixtrans-63.9-43.8175.6-167.2-173.120.600111.5P536 E537 E538 S543 K544P536-Q540 PolarHBondContact O-N 2.99Å; E537-Q540 PolarHBondContact O-N 3.13Å; E538-Q540 VanDerWaalsContact C-N 3.33Å; E538-Q540 PolarHBondContact O-N 3.38Å; Q540-S543 PolarHBondContact O-N 2.67Å; Q540-K544 WeakPolarHBondContact O-CG 3.36Å; Q540-K544 PolarHBondContact O-N 3.04Å
541R94Very high89.7Confident91 Ų9166.7 Ų66.734%0.34335%0.349SS..Hα-helixtrans-63.9-44.1176.2-173.9172.1179.7-171.40.8111.6E537 E538 S543 K544 I545 D585 F589E537-R541 WeakPolarHBondContact O-CB 3.29Å; E537-R541 PolarHBondContact O-N 2.93Å; E538-R541 PolarHBondContact O-N 2.78Å; R541-S543 VanDerWaalsContact C-N 3.34Å; R541-S543 PolarHBondContact O-N 2.85Å; R541-K544 PolarHBondContact O-N 3.14Å; R541-K544 VanDerWaalsContact O-N 3.14Å; R541-I545 HydrophobicContact CG-CD1 3.93Å; R541-I545 WeakPolarHBondContact O-CG1 3.36Å; R541-I545 PolarHBondContact O-N 3.47Å; R541-D585 IonicContact CZ-OD2 3.09Å; R541-D585 IonicContact NH2-OD1 3.58Å; R541-D585 PolarHBondContact NH2-OD1 3.21Å; R541-D585 IonicContact NH2-OD2 2.84Å; R541-D585 PolarHBondContact NH2-OD2 3.04Å; R541-F589 HydrophobicContact CB-CE1 4.48Å; R541-F589 HydrophobicContact CB-CE2 4.39Å; R541-F589 HydrophobicContact CB-CZ 4.09Å; R541-F589 HydrophobicContact CG-CD1 4.43Å; R541-F589 HydrophobicContact CG-CD2 4.43Å; R541-F589 HydrophobicContact CG-CE1 4.26Å; R541-F589 HydrophobicContact CG-CE2 4.27Å; R541-F589 HydrophobicContact CG-CG 4.5Å; R541-F589 HydrophobicContact CG-CZ 4.17Å
542L94.3Very high89.9Confident0 Ų065.3 Ų65.30%034%0.344CS..Hα-helixtrans-59.8-44.3176.1-178.861.2000111.3I513 Y516 I530 E538 Q539 K544 I545 T546 F589 L590 L593I513-L542 HydrophobicContact CG2-CD1 4.15Å; I513-L542 HydrophobicContact CG2-CD2 4.47Å; Y516-L542 HydrophobicContact CD1-CB 4.25Å; Y516-L542 HydrophobicContact CD1-CD2 3.9Å; Y516-L542 HydrophobicContact CD1-CG 3.79Å; Y516-L542 HydrophobicContact CD2-CD2 3.59Å; Y516-L542 HydrophobicContact CD2-CG 4.33Å; Y516-L542 HydrophobicContact CE1-CD2 4.39Å; Y516-L542 HydrophobicContact CE2-CD2 4.11Å; Y516-L542 HydrophobicContact CG-CD2 3.47Å; Y516-L542 VanDerWaalsContact CG-CD2 3.47Å; Y516-L542 HydrophobicContact CG-CG 3.69Å; I530-L542 HydrophobicContact CG2-CD2 4.28Å; E538-L542 VanDerWaalsContact O-CB 3.24Å; E538-L542 WeakPolarHBondContact O-CB 3.34Å; E538-L542 PolarHBondContact O-N 2.91Å; Q539-L542 PolarHBondContact O-N 3.47Å; L542-K544 PolarHBondContact O-N 3.49Å; L542-I545 PolarHBondContact O-N 3.22Å; L542-T546 HydrophobicContact CD1-CG2 4.09Å; L542-T546 WeakPolarHBondContact O-CB 3.27Å; L542-T546 WeakPolarHBondContact O-CG2 3.39Å; L542-T546 PolarHBondContact O-N 3.34Å; L542-T546 PolarHBondContact O-OG1 3.33Å; L542-F589 HydrophobicContact CB-CE1 4.09Å; L542-F589 HydrophobicContact CB-CZ 4.48Å; L542-F589 HydrophobicContact CD1-CE1 4.37Å; L542-L590 HydrophobicContact CD1-CD2 3.56Å; L542-L593 HydrophobicContact CD1-CD2 4.4Å; L542-L593 HydrophobicContact CD2-CD2 4.08Å
543S93.9Very high90.2Very high30 Ų3061 Ų6121%0.2131%0.309CS..Hα-helixtrans-60.1-43173.6-179.70000111.9H517 Q539 Q540 R541 T546 A547H517-S543 PolarHBondContact ND1-OG 3.33Å; Q539-S543 WeakPolarHBondContact O-CB 3.5Å; Q539-S543 PolarHBondContact O-N 2.76Å; Q540-S543 PolarHBondContact O-N 2.67Å; R541-S543 VanDerWaalsContact C-N 3.34Å; R541-S543 PolarHBondContact O-N 2.85Å; S543-T546 PolarHBondContact O-N 3.38Å; S543-A547 VanDerWaalsContact O-CB 3.29Å; S543-A547 WeakPolarHBondContact O-CB 3.46Å; S543-A547 PolarHBondContact O-N 3.04Å
544K93.6Very high90.6Very high142 Ų14261 Ų6162%0.61730%0.302SS*.Hα-helixtrans-64.2-43.4177.5-73.5175.6-179175.60112.3Q540 R541 L542 T546Q540-K544 WeakPolarHBondContact O-CG 3.36Å; Q540-K544 PolarHBondContact O-N 3.04Å; R541-K544 PolarHBondContact O-N 3.14Å; R541-K544 VanDerWaalsContact O-N 3.14Å; L542-K544 PolarHBondContact O-N 3.49Å; K544-T546 VanDerWaalsContact C-N 3.32Å; K544-T546 PolarHBondContact O-N 3.1Å
545I93Very high91Very high15 Ų1560.9 Ų60.98%0.07730%0.301CS..Hα-helixtrans-61.9-42.3179-71.2166.9000110.7R541 L542 R549 A586 F589 L590R541-I545 HydrophobicContact CG-CD1 3.93Å; R541-I545 WeakPolarHBondContact O-CG1 3.36Å; R541-I545 PolarHBondContact O-N 3.47Å; L542-I545 PolarHBondContact O-N 3.22Å; I545-R549 WeakPolarHBondContact O-CB 3.47Å; I545-R549 VanDerWaalsContact O-CD 3.22Å; I545-R549 WeakPolarHBondContact O-CD 3.23Å; I545-R549 VanDerWaalsContact O-CG 3.27Å; I545-R549 WeakPolarHBondContact O-CG 3.16Å; I545-A586 HydrophobicContact CB-CB 4.48Å; I545-A586 HydrophobicContact CD1-CB 3.8Å; I545-A586 HydrophobicContact CG1-CB 3.8Å; I545-A586 HydrophobicContact CG2-CB 3.87Å; I545-F589 HydrophobicContact CD1-CB 4.32Å; I545-F589 HydrophobicContact CD1-CD1 3.35Å; I545-F589 HydrophobicContact CD1-CE1 3.92Å; I545-F589 HydrophobicContact CD1-CG 4.06Å; I545-L590 HydrophobicContact CG2-CD1 4.43Å
546T93.3Very high91.4Very high3 Ų353.8 Ų53.82%0.01827%0.274CS..Hα-helixtrans-90.4-8.7-173.456.60000114.3I513 S514 H517 L542 S543 K544I513-T546 WeakPolarHBondContact O-CG2 3.49Å; S514-T546 VanDerWaalsContact O-CG2 3.23Å; S514-T546 WeakPolarHBondContact O-CG2 3.4Å; H517-T546 WeakPolarHBondContact CB-OG1 3.38Å; H517-T546 PolarHBondContact N-OG1 3.29Å; L542-T546 HydrophobicContact CD1-CG2 4.09Å; L542-T546 WeakPolarHBondContact O-CB 3.27Å; L542-T546 WeakPolarHBondContact O-CG2 3.39Å; L542-T546 PolarHBondContact O-N 3.34Å; L542-T546 PolarHBondContact O-OG1 3.33Å; S543-T546 PolarHBondContact O-N 3.38Å; K544-T546 VanDerWaalsContact C-N 3.32Å; K544-T546 PolarHBondContact O-N 3.1Å
547A90.2Very high91.7Very high30 Ų3048.9 Ų48.925%0.24824%0.243CC..Hα-helixtrans-66.5-44-178.700000113.6H517 S543H517-A547 HydrophobicContact CB-CB 4.12Å; S543-A547 VanDerWaalsContact O-CB 3.29Å; S543-A547 WeakPolarHBondContact O-CB 3.46Å; S543-A547 PolarHBondContact O-N 3.04Å
548N78Confident92Very high155 Ų15542.2 Ų42.283%0.82921%0.212SC*.SBendtrans-112.616.5-171.2-65.4-18.5000113.1
549R72.9Confident92.1Very high93 Ų9345.9 Ų45.935%0.35123%0.225SC..  trans-130.2134.5-170-61.4-170.4-178.6168.7-0.2112.5I545 L551 D583I545-R549 WeakPolarHBondContact O-CB 3.47Å; I545-R549 VanDerWaalsContact O-CD 3.22Å; I545-R549 WeakPolarHBondContact O-CD 3.23Å; I545-R549 VanDerWaalsContact O-CG 3.27Å; I545-R549 WeakPolarHBondContact O-CG 3.16Å; R549-L551 VanDerWaalsContact C-N 3.35Å; R549-L551 PolarHBondContact O-N 2.79Å; R549-D583 IonicContact CZ-OD2 2.96Å; R549-D583 VanDerWaalsContact NH1-CG 3.35Å; R549-D583 IonicContact NH1-OD2 3.67Å; R549-D583 PolarHBondContact NH1-OD2 3Å; R549-D583 IonicContact NH2-OD2 2.77Å; R549-D583 PolarHBondContact NH2-OD2 3.14Å
550S83.3Confident92.1Very high62 Ų6243.8 Ų43.843%0.43422%0.215SC..  trans-84.980.2165.7-177.20000108.8S578 Q611S550-S578 PolarHBondContact O-OG 3.07Å; S550-Q611 PolarHBondContact O-NE2 2.83Å; S550-Q611 PolarHBondContact OG-NE2 3.42Å; S550-Q611 PolarHBondContact OG-OE1 2.86Å
551L92.7Very high91.9Very high25 Ų2538.1 Ų38.113%0.13119%0.189CC..EExtended strand (participates in β ladder)trans-95.2120.6173.4-170.971000109.7S514 R549 L576 L587 L590S514-L551 WeakPolarHBondContact CB-O 3.39Å; S514-L551 PolarHBondContact OG-O 2.56Å; S514-L551 VanDerWaalsContact OG-O 3.12Å; R549-L551 VanDerWaalsContact C-N 3.35Å; R549-L551 PolarHBondContact O-N 2.79Å; L551-L576 HydrophobicContact CD1-CB 4.24Å; L551-L576 HydrophobicContact CD2-CD1 4.5Å; L551-L576 HydrophobicContact CD2-CD2 4.41Å; L551-L587 HydrophobicContact CD1-CD2 4.31Å; L551-L590 HydrophobicContact CD2-CD1 3.36Å
552A94Very high91.5Very high18 Ų1833.9 Ų33.915%0.14917%0.173CC..EExtended strand (participates in β ladder)trans-101.5141.1172.800000110.2Y554 L576 S577 Q611A552-Y554 HydrophobicContact CB-CE2 3.79Å; A552-L576 CarbonylContact O-C 3.53Å; A552-L576 WeakPolarHBondContact O-CA 3.35Å; A552-S577 PolarHBondContact N-O 3.42Å; A552-S577 PolarHBondContact O-N 2.93Å; A552-Q611 HydrophobicContact CB-CG 4.31Å
553A95.8Very high90.4Very high4 Ų436.6 Ų36.63%0.03319%0.19CC..EExtended strand (participates in β ladder)trans-129.3138.8-178.900000111.2I510 A575 L576I510-A553 HydrophobicContact CB-CB 4.1Å; I510-A553 HydrophobicContact CD1-CB 3.96Å; I510-A553 HydrophobicContact CG1-CB 4.06Å; A553-A575 CarbonylContact C-O 3.57Å; A553-A575 WeakPolarHBondContact CA-O 3.3Å; A553-L576 HydrophobicContact CB-CD2 3.59Å
554Y96.3Very high89Confident31 Ų3142.1 Ų42.112%0.12221%0.212CC..EExtended strand (participates in β ladder)trans-135.2132-175-55.5-80000110.7A552 C574 A575 V612A552-Y554 HydrophobicContact CB-CE2 3.79Å; Y554-C574 CarbonylContact O-C 3.56Å; Y554-C574 WeakPolarHBondContact O-CA 3.5Å; Y554-A575 PolarHBondContact N-O 2.85Å; Y554-A575 PolarHBondContact O-N 3.17Å; Y554-V612 HydrophobicContact CE1-CG1 4.43Å; Y554-V612 HydrophobicContact CE2-CB 3.77Å; Y554-V612 HydrophobicContact CE2-CG1 3.95Å; Y554-V612 PolarHBondContact OH-O 2.98Å
555V96.9Very high87.5Confident4 Ų438.4 Ų38.42%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-80.9125.7166.1-174.30000106.6F503 T506 T507 I510 Y572F503-V555 HydrophobicContact CD2-CB 4.42Å; F503-V555 HydrophobicContact CD2-CG1 3.84Å; F503-V555 HydrophobicContact CE2-CB 3.86Å; F503-V555 HydrophobicContact CE2-CG1 3.5Å; F503-V555 VanDerWaalsContact CE2-CG1 3.5Å; F503-V555 HydrophobicContact CZ-CB 4.04Å; F503-V555 HydrophobicContact CZ-CG1 4.19Å; T506-V555 HydrophobicContact CG2-CG2 3.8Å; T507-V555 WeakPolarHBondContact OG1-CG2 3.38Å; I510-V555 HydrophobicContact CD1-CB 4.36Å; I510-V555 HydrophobicContact CD1-CG2 3.43Å; I510-V555 VanDerWaalsContact CD1-CG2 3.43Å; I510-V555 VanDerWaalsContact CD1-N 3.3Å; I510-V555 HydrophobicContact CG1-CG2 4.16Å; V555-Y572 HydrophobicContact CG1-CD1 3.72Å; V555-Y572 HydrophobicContact CG1-CD2 4.29Å; V555-Y572 HydrophobicContact CG1-CE1 4.36Å; V555-Y572 HydrophobicContact CG1-CG 3.69Å
556L97.6Very high85.9Confident0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-82.8136.2176.2-57.1-176.4000109.6I558 Y572 A573 A575 I660 F664L556-I558 HydrophobicContact CB-CD1 4.39Å; L556-I558 HydrophobicContact CB-CG1 3.8Å; L556-I558 HydrophobicContact CD1-CD1 4.3Å; L556-I558 PolarHBondContact O-N 2.88Å; L556-Y572 WeakPolarHBondContact O-CD1 3.27Å; L556-A573 HydrophobicContact CB-CB 4.49Å; L556-A573 HydrophobicContact CD1-CB 4.17Å; L556-A573 PolarHBondContact N-O 3.4Å; L556-A575 HydrophobicContact CD1-CB 4.17Å; L556-A575 HydrophobicContact CD2-CB 3.83Å; L556-A575 HydrophobicContact CG-CB 4.04Å; L556-I660 HydrophobicContact CD1-CD1 4.36Å; L556-F664 HydrophobicContact CD2-CE1 3.98Å; L556-F664 HydrophobicContact CD2-CZ 3.85Å
557P96.5Very high84.7Confident1 Ų147.7 Ų47.71%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-78.546.6-179.734-37.1000112.1P497 Y498 I499 F503 V616 I619 I662P497-P557 HydrophobicContact CB-CB 3.88Å; P497-P557 HydrophobicContact CB-CG 4.46Å; Y498-P557 PolarHBondContact N-O 2.91Å; Y498-P557 WeakPolarHBondContact O-CA 3.49Å; I499-P557 HydrophobicContact CD1-CB 4.43Å; I499-P557 HydrophobicContact CG1-CB 4.03Å; F503-P557 HydrophobicContact CE2-CB 4.32Å; F503-P557 HydrophobicContact CZ-CB 4.49Å; P557-V616 HydrophobicContact CG-CG1 4.14Å; P557-I619 HydrophobicContact CB-CG2 4.44Å; P557-I619 HydrophobicContact CG-CG2 3.87Å; P557-I662 HydrophobicContact CG-CD1 4.22Å
558I96.7Very high84.1Confident7 Ų749.6 Ų49.64%0.03626%0.26CS..EExtended strand (participates in β ladder)trans-136.6161.5177.457.3169.9000109.1L492 L556 I619 I660 P661 I662 W738L492-I558 HydrophobicContact CD2-CD1 4.19Å; L556-I558 HydrophobicContact CB-CD1 4.39Å; L556-I558 HydrophobicContact CB-CG1 3.8Å; L556-I558 HydrophobicContact CD1-CD1 4.3Å; L556-I558 PolarHBondContact O-N 2.88Å; I558-I619 HydrophobicContact CG2-CG2 4.16Å; I558-I660 HydrophobicContact CD1-CB 4.2Å; I558-I660 HydrophobicContact CD1-CD1 4.44Å; I558-I660 HydrophobicContact CD1-CG2 4.31Å; I558-P661 HydrophobicContact CG2-CG 3.76Å; I558-I662 HydrophobicContact CD1-CG1 4.28Å; I558-I662 HydrophobicContact CG2-CD1 3.82Å; I558-I662 HydrophobicContact CG2-CG1 4.48Å; I558-W738 HydrophobicContact CD1-CZ3 4.44Å
559R94.5Very high84.5Confident90 Ų9044.2 Ų44.234%0.3423%0.233SC..EExtended strand (participates in β ladder)trans-103.2151.3168.7-63.9178-69.6-161.5-4.3109.7Y498 S571Y498-R559 HydrophobicContact CD1-CG 3.27Å; Y498-R559 HydrophobicContact CD2-CG 4.12Å; Y498-R559 HydrophobicContact CE1-CG 3.43Å; Y498-R559 VanDerWaalsContact CE1-CG 3.43Å; Y498-R559 HydrophobicContact CE2-CG 4.24Å; Y498-R559 HydrophobicContact CG-CG 3.65Å; R559-S571 WeakPolarHBondContact CA-O 3.47Å
560S93.5Very high85.4Confident0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-129.3159.9164.576.60000109.5Y570 S571 N602 R603 W738S560-Y570 WeakPolarHBondContact O-CA 3.46Å; S560-S571 PolarHBondContact N-O 2.82Å; S560-S571 PolarHBondContact O-N 3.17Å; S560-N602 PolarHBondContact O-ND2 2.62Å; S560-N602 PolarHBondContact OG-OD1 3Å; S560-R603 WeakPolarHBondContact OG-CG 3.37Å; S560-W738 VanDerWaalsContact CA-O 3.31Å; S560-W738 WeakPolarHBondContact CA-O 3.5Å; S560-W738 WeakPolarHBondContact CB-O 3.35Å
561V90.1Very high85.9Confident0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-76.6141.2-17973.10000113R568 T569 Y570 R603 T735 E737 W738 E739V561-R568 HydrophobicContact CG2-CB 4.01Å; V561-R568 HydrophobicContact CG2-CG 3.95Å; V561-T569 CarbonylContact C-O 3.6Å; V561-Y570 HydrophobicContact CB-CD1 4.23Å; V561-Y570 HydrophobicContact CB-CE1 3.82Å; V561-Y570 HydrophobicContact CG2-CD1 4.48Å; V561-Y570 HydrophobicContact CG2-CE1 3.89Å; V561-R603 PolarHBondContact O-NH2 2.85Å; V561-T735 HydrophobicContact CG1-CG2 4.11Å; V561-T735 HydrophobicContact CG2-CG2 3.83Å; V561-E737 WeakPolarHBondContact CG1-O 3.29Å; V561-W738 PolarHBondContact N-O 2.73Å; V561-E739 HydrophobicContact CB-CB 4.12Å; V561-E739 HydrophobicContact CG1-CB 3.86Å; V561-E739 HydrophobicContact CG1-CG 3.99Å
562G84.6Confident86.1Confident1 Ų140.2 Ų40.21%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-137.5-175.1167.600000110.9R568 T569 N602G562-R568 WeakPolarHBondContact O-CA 3.27Å; G562-T569 PolarHBondContact N-O 2.76Å; G562-T569 PolarHBondContact O-N 3.34Å; G562-N602 PolarHBondContact N-ND2 2.97Å
563V72.1Confident86.2Confident58 Ų5839.3 Ų39.335%0.35220%0.204SC..EExtended strand (participates in β ladder)trans-127.2136.9178.4-178.30000108.8G565 P732 T735V563-G565 WeakPolarHBondContact CG1-O 3.22Å; V563-P732 HydrophobicContact CB-CG 4.19Å; V563-P732 HydrophobicContact CG2-CG 3.79Å; V563-T735 HydrophobicContact CG2-CG2 3.23Å
564Q63Low86.3Confident146 Ų14639.1 Ų39.168%0.68220%0.202SC*.EExtended strand (participates in β ladder)trans-136.3117.5165.5-173.9176.6-12.700108.4D566 H567 T569Q564-D566 PolarHBondContact O-N 2.68Å; Q564-H567 PolarHBondContact N-O 2.8Å; Q564-H567 VanDerWaalsContact N-O 3.07Å; Q564-H567 PolarHBondContact O-N 2.84Å; Q564-T569 HydrophobicContact CB-CG2 3.6Å
565G62.7Low86.4Confident63 Ų6337.7 Ų37.765%0.64920%0.196SC*.THydrogen-bonded Turntrans60.4-131.7-166.900000110.4V563V563-G565 WeakPolarHBondContact CG1-O 3.22Å
566D60.3Low86.4Confident89 Ų8937.6 Ų37.648%0.47620%0.196SC..THydrogen-bonded Turntrans-96.64.4-179-56.6-53.6000113.5Q564Q564-D566 PolarHBondContact O-N 2.68Å
567H66.7Low86.4Confident124 Ų12437.6 Ų37.657%0.57420%0.196SC*.EExtended strand (participates in β ladder)trans-110.4148-178.1-59.8-49.6000112.9D430 Q564D430-H567 IonicContact OD2-CE1 2.66Å; Q564-H567 PolarHBondContact N-O 2.8Å; Q564-H567 VanDerWaalsContact N-O 3.07Å; Q564-H567 PolarHBondContact O-N 2.84Å
568R79Confident86.3Confident71 Ų7137.9 Ų37.927%0.26820%0.198SC..EExtended strand (participates in β ladder)trans-69.5135.1168.6-72.6-178.1174.6131.112.1109.7E378 R381 V561 G562 Y570 E739E378-R568 WeakPolarHBondContact OE1-CD 3.48Å; E378-R568 IonicContact OE1-CZ 2.84Å; E378-R568 IonicContact OE1-NE 3.99Å; E378-R568 IonicContact OE1-NH1 3.94Å; E378-R568 PolarHBondContact OE1-NH1 3.02Å; E378-R568 IonicContact OE2-NH1 3.8Å; E378-R568 PolarHBondContact OE2-NH1 3.09Å; R381-R568 VanDerWaalsContact CZ-CZ 3.49Å; V561-R568 HydrophobicContact CG2-CB 4.01Å; V561-R568 HydrophobicContact CG2-CG 3.95Å; G562-R568 WeakPolarHBondContact O-CA 3.27Å; R568-Y570 HydrophobicContact CB-CE2 4.34Å; R568-E739 IonicContact NE-OE2 2.97Å
569T84.9Confident86Confident41 Ų4141.3 Ų41.325%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-122.1152.8173.357.10000110.5V561 G562 Q564V561-T569 CarbonylContact C-O 3.6Å; G562-T569 PolarHBondContact N-O 2.76Å; G562-T569 PolarHBondContact O-N 3.34Å; Q564-T569 HydrophobicContact CB-CG2 3.6Å
570Y91.6Very high85.8Confident68 Ų6840.8 Ų40.827%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-125.4118.2-175.5-64.9-85.5000110.3P377 E378 S560 V561 R568P377-Y570 HydrophobicContact CG-CE1 3.78Å; P377-Y570 VanDerWaalsContact CG-OH 3.32Å; P377-Y570 WeakPolarHBondContact CG-OH 3.34Å; E378-Y570 PolarHBondContact OE1-OH 3.38Å; S560-Y570 WeakPolarHBondContact O-CA 3.46Å; V561-Y570 HydrophobicContact CB-CD1 4.23Å; V561-Y570 HydrophobicContact CB-CE1 3.82Å; V561-Y570 HydrophobicContact CG2-CD1 4.48Å; V561-Y570 HydrophobicContact CG2-CE1 3.89Å; R568-Y570 HydrophobicContact CB-CE2 4.34Å
571S94Very high85.7Confident25 Ų2544.6 Ų44.618%0.17526%0.261CS..EExtended strand (participates in β ladder)trans-139.6171.7-172.9-60.10000110.9R559 S560 N600 N602R559-S571 WeakPolarHBondContact CA-O 3.47Å; S560-S571 PolarHBondContact N-O 2.82Å; S560-S571 PolarHBondContact O-N 3.17Å; S571-N600 WeakPolarHBondContact CB-O 3.3Å; S571-N602 PolarHBondContact O-OD1 3.48Å
572Y96.7Very high85.9Confident3 Ų345.5 Ų45.51%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-64.8152.3-177.7-67.5-65.4000113.4Y498 E500 F503 V555 L556 N600 I601 N602Y498-Y572 AromaticContact CD1-CD1 3.93Å; Y498-Y572 HydrophobicContact CD1-CD1 3.93Å; Y498-Y572 AromaticContact CD1-CE1 3.23Å; Y498-Y572 HydrophobicContact CD1-CE1 3.23Å; Y498-Y572 AromaticContact CD1-CZ 3.68Å; Y498-Y572 HydrophobicContact CE1-CD1 4.19Å; Y498-Y572 AromaticContact CE1-CE1 3.51Å; Y498-Y572 HydrophobicContact CE1-CE1 3.51Å; Y498-Y572 HydrophobicContact CE1-CE2 4.18Å; Y498-Y572 AromaticContact CE1-CZ 3.48Å; Y498-Y572 VanDerWaalsContact CE1-CZ 3.48Å; Y498-Y572 WeakPolarHBondContact CE1-OH 3.16Å; Y498-Y572 HydrophobicContact CG-CE1 4.37Å; Y498-Y572 WeakPolarHBondContact O-CE1 3.26Å; E500-Y572 WeakPolarHBondContact CB-OH 3.49Å; E500-Y572 PolarHBondContact N-OH 3Å; F503-Y572 HydrophobicContact CD2-CD1 4.29Å; F503-Y572 AromaticContact CD2-CE1 3.6Å; F503-Y572 HydrophobicContact CD2-CE1 3.6Å; F503-Y572 HydrophobicContact CD2-CE2 4.49Å; F503-Y572 AromaticContact CD2-CZ 3.74Å; F503-Y572 HydrophobicContact CE2-CD1 4.45Å; F503-Y572 HydrophobicContact CE2-CE1 4.06Å; V555-Y572 HydrophobicContact CG1-CD1 3.72Å; V555-Y572 HydrophobicContact CG1-CD2 4.29Å; V555-Y572 HydrophobicContact CG1-CE1 4.36Å; V555-Y572 HydrophobicContact CG1-CG 3.69Å; L556-Y572 WeakPolarHBondContact O-CD1 3.27Å; Y572-N600 WeakPolarHBondContact CB-O 3.49Å; Y572-N600 HydrophobicContact CD2-CB 4.4Å; Y572-N600 WeakPolarHBondContact CD2-O 3.36Å; Y572-N600 PolarHBondContact N-O 3.34Å; Y572-I601 CarbonylContact O-C 3.57Å; Y572-I601 WeakPolarHBondContact O-CA 3.5Å; Y572-N602 PolarHBondContact O-N 2.77Å; Y572-N602 PolarHBondContact O-OD1 2.86Å; Y572-N602 VanDerWaalsContact O-OD1 3.05Å
573A97Very high86.3Confident0 Ų048 Ų480%028%0.28CS..EExtended strand (participates in β ladder)trans-101138.4162.600000110.2L556 R603 W738L556-A573 HydrophobicContact CB-CB 4.49Å; L556-A573 HydrophobicContact CD1-CB 4.17Å; L556-A573 PolarHBondContact N-O 3.4Å; A573-R603 HydrophobicContact CB-CB 3.91Å; A573-W738 HydrophobicContact CB-CH2 4.07Å; A573-W738 HydrophobicContact CB-CZ3 4.31Å
574C97.6Very high87.4Confident0 Ų045.6 Ų45.60%026%0.264CS..EExtended strand (participates in β ladder)trans-103.9129.1173.61770000109.7Y554 I601 R603 V604 V605Y554-C574 CarbonylContact O-C 3.56Å; Y554-C574 WeakPolarHBondContact O-CA 3.5Å; C574-I601 HydrophobicContact CB-CD1 4.02Å; C574-I601 HydrophobicContact CB-CG2 3.8Å; C574-R603 PolarHBondContact N-O 2.75Å; C574-V604 HydrophobicContact CB-CG2 4.42Å; C574-V604 CarbonylContact O-C 3.53Å; C574-V604 VanDerWaalsContact O-CA 3.29Å; C574-V604 WeakPolarHBondContact O-CA 3.44Å; C574-V605 WeakPolarHBondContact O-CG2 3.4Å; C574-V605 PolarHBondContact O-N 3.15Å
575A98Very high88.9Confident0 Ų043.2 Ų43.20%026%0.256CS..EExtended strand (participates in β ladder)trans-109130.8175.900000111.2A553 Y554 L556 V605 I607 L725A553-A575 CarbonylContact C-O 3.57Å; A553-A575 WeakPolarHBondContact CA-O 3.3Å; Y554-A575 PolarHBondContact N-O 2.85Å; Y554-A575 PolarHBondContact O-N 3.17Å; L556-A575 HydrophobicContact CD1-CB 4.17Å; L556-A575 HydrophobicContact CD2-CB 3.83Å; L556-A575 HydrophobicContact CG-CB 4.04Å; A575-V605 CarbonylContact C-O 3.11Å; A575-V605 WeakPolarHBondContact CA-O 2.97Å; A575-V605 HydrophobicContact CB-CG2 3.74Å; A575-I607 HydrophobicContact CB-CD1 3.8Å; A575-I607 HydrophobicContact CB-CG1 3.92Å; A575-L725 HydrophobicContact CB-CD2 4.41Å
576L97.5Very high90.4Very high2 Ų240.3 Ų40.31%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-106.8144.6178-59.7-179.4000109.9L551 A552 A553 L587 L590 I594 V604 V605 Y606 I607L551-L576 HydrophobicContact CD1-CB 4.24Å; L551-L576 HydrophobicContact CD2-CD1 4.5Å; L551-L576 HydrophobicContact CD2-CD2 4.41Å; A552-L576 CarbonylContact O-C 3.53Å; A552-L576 WeakPolarHBondContact O-CA 3.35Å; A553-L576 HydrophobicContact CB-CD2 3.59Å; L576-L587 HydrophobicContact CB-CD2 4.34Å; L576-L587 HydrophobicContact CD1-CD2 3.87Å; L576-L590 HydrophobicContact CD1-CB 4.2Å; L576-L590 HydrophobicContact CD1-CD1 4.07Å; L576-I594 HydrophobicContact CD1-CD1 4.39Å; L576-I594 HydrophobicContact CD2-CD1 4.3Å; L576-V604 HydrophobicContact CD1-CG1 3.69Å; L576-V604 HydrophobicContact CG-CG1 4.01Å; L576-V605 PolarHBondContact N-O 3.12Å; L576-Y606 HydrophobicContact CB-CD2 4.19Å; L576-Y606 CarbonylContact O-C 3.55Å; L576-Y606 WeakPolarHBondContact O-CA 3.4Å; L576-Y606 WeakPolarHBondContact O-CD2 3.3Å; L576-I607 PolarHBondContact O-N 2.89Å
577S96.5Very high92.1Very high0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-147.4152173.265.10000111.2A552 V612A552-S577 PolarHBondContact N-O 3.42Å; A552-S577 PolarHBondContact O-N 2.93Å; S577-V612 PolarHBondContact OG-N 3.39Å
578S94.9Very high93.4Very high8 Ų831.4 Ų31.46%0.05618%0.184CC..EExtended strand (participates in β ladder)trans-135.2152.8-177.8-1740000111.3S550 T580 Q611S550-S578 PolarHBondContact O-OG 3.07Å; S578-T580 VanDerWaalsContact C-N 3.26Å; S578-T580 PolarHBondContact OG-N 3.25Å; S578-T580 PolarHBondContact OG-OG1 3.22Å; S578-T580 VanDerWaalsContact OG-OG1 3.07Å; S578-Q611 PolarHBondContact O-N 3.38Å
579S91.2Very high94.1Very high78 Ų7828.8 Ų28.855%0.54518%0.175SC..SBendtrans-81-7.9170.4640000113
580T90.8Very high94.6Very high79 Ų7927 Ų2749%0.48516%0.164SC..SBendtrans-114.1168.4177.9660000110.9S578S578-T580 VanDerWaalsContact C-N 3.26Å; S578-T580 PolarHBondContact OG-N 3.25Å; S578-T580 PolarHBondContact OG-OG1 3.22Å; S578-T580 VanDerWaalsContact OG-OG1 3.07Å
581A90.6Very high94.8Very high80 Ų8023.8 Ų23.866%0.66115%0.151SC*.  trans-52.3142.8171.100000111.5
582P93.2Very high94.7Very high20 Ų2026.7 Ų26.713%0.1317%0.165CC..  trans-65.8135.618025.6-32.5000111.1W584 L587 Y606 Y709P582-W584 HydrophobicContact CB-CD2 4.22Å; P582-W584 HydrophobicContact CB-CE3 4.47Å; P582-W584 HydrophobicContact CB-CH2 4.13Å; P582-W584 HydrophobicContact CB-CZ2 3.84Å; P582-W584 HydrophobicContact CB-CZ3 4.43Å; P582-W584 HydrophobicContact CG-CD2 4.44Å; P582-W584 HydrophobicContact CG-CH2 4.02Å; P582-W584 HydrophobicContact CG-CZ2 3.36Å; P582-L587 HydrophobicContact CB-CD1 3.72Å; P582-Y606 HydrophobicContact CB-CD1 4.21Å; P582-Y606 HydrophobicContact CB-CE1 3.69Å; P582-Y606 HydrophobicContact CB-CE2 4.47Å; P582-Y606 HydrophobicContact CG-CE1 4.1Å; P582-Y709 WeakPolarHBondContact CG-OH 3.26Å
583D93.9Very high94.6Very high52 Ų5226.5 Ų26.528%0.27816%0.164SC..  trans-97.9104.3163.5173.1-6.4000108.3R549 D585 A586 L587R549-D583 IonicContact CZ-OD2 2.96Å; R549-D583 VanDerWaalsContact NH1-CG 3.35Å; R549-D583 IonicContact NH1-OD2 3.67Å; R549-D583 PolarHBondContact NH1-OD2 3Å; R549-D583 IonicContact NH2-OD2 2.77Å; R549-D583 PolarHBondContact NH2-OD2 3.14Å; D583-D585 VanDerWaalsContact C-N 3.31Å; D583-D585 PolarHBondContact O-N 3.06Å; D583-D585 PolarHBondContact OD1-N 2.63Å; D583-A586 HydrophobicContact CB-CB 4.03Å; D583-A586 PolarHBondContact O-N 2.89Å; D583-A586 PolarHBondContact OD1-N 3.25Å; D583-A586 VanDerWaalsContact OD1-N 3.13Å; D583-A586 WeakPolarHBondContact OD2-CB 3.29Å; D583-L587 WeakPolarHBondContact O-CB 3.42Å; D583-L587 VanDerWaalsContact O-CG 3.23Å; D583-L587 WeakPolarHBondContact O-CG 3.23Å; D583-L587 PolarHBondContact O-N 2.94Å
584W95.3Very high94.5Very high8 Ų826.7 Ų26.73%0.0317%0.165CC..Hα-helixtrans-66.6-29.2-174.5-58.7110.8000113.9P582 L587 S588 Y606 L608 V698 P699 E705 Y726 L728P582-W584 HydrophobicContact CB-CD2 4.22Å; P582-W584 HydrophobicContact CB-CE3 4.47Å; P582-W584 HydrophobicContact CB-CH2 4.13Å; P582-W584 HydrophobicContact CB-CZ2 3.84Å; P582-W584 HydrophobicContact CB-CZ3 4.43Å; P582-W584 HydrophobicContact CG-CD2 4.44Å; P582-W584 HydrophobicContact CG-CH2 4.02Å; P582-W584 HydrophobicContact CG-CZ2 3.36Å; W584-L587 HydrophobicContact CE3-CD1 4.01Å; W584-L587 HydrophobicContact CZ3-CD1 4.22Å; W584-S588 VanDerWaalsContact O-CB 3.25Å; W584-S588 WeakPolarHBondContact O-CB 3.5Å; W584-S588 PolarHBondContact O-N 2.83Å; W584-S588 PolarHBondContact O-OG 3.13Å; W584-Y606 HydrophobicContact CH2-CD1 4.18Å; W584-Y606 HydrophobicContact CZ3-CD1 4.35Å; W584-L608 HydrophobicContact CH2-CD2 3.9Å; W584-L608 HydrophobicContact CZ2-CD2 4.45Å; W584-V698 HydrophobicContact CB-CG1 3.71Å; W584-P699 HydrophobicContact CD2-CB 3.68Å; W584-P699 HydrophobicContact CD2-CG 3.58Å; W584-P699 HydrophobicContact CE3-CB 4.28Å; W584-P699 HydrophobicContact CE3-CG 3.64Å; W584-P699 HydrophobicContact CG-CB 3.88Å; W584-P699 HydrophobicContact CG-CG 4.19Å; W584-P699 HydrophobicContact CH2-CG 3.89Å; W584-P699 HydrophobicContact CZ2-CB 4Å; W584-P699 HydrophobicContact CZ2-CG 3.84Å; W584-P699 HydrophobicContact CZ3-CG 3.8Å; W584-E705 PolarHBondContact NE1-OE2 2.81Å; W584-Y726 HydrophobicContact CZ3-CD1 4.26Å; W584-Y726 HydrophobicContact CZ3-CG 4.33Å; W584-L728 HydrophobicContact CE3-CD1 4.43Å; W584-L728 HydrophobicContact CE3-CD2 4.27Å; W584-L728 HydrophobicContact CZ3-CD1 4.48Å
585D93.9Very high94.3Very high96 Ų9628.1 Ų28.151%0.51318%0.175SC..Hα-helixtrans-69.1-47.2174.6172.568.2000110.5R541 D583 L587 S588 F589R541-D585 IonicContact CZ-OD2 3.09Å; R541-D585 IonicContact NH2-OD1 3.58Å; R541-D585 PolarHBondContact NH2-OD1 3.21Å; R541-D585 IonicContact NH2-OD2 2.84Å; R541-D585 PolarHBondContact NH2-OD2 3.04Å; D583-D585 VanDerWaalsContact C-N 3.31Å; D583-D585 PolarHBondContact O-N 3.06Å; D583-D585 PolarHBondContact OD1-N 2.63Å; D585-L587 PolarHBondContact O-N 2.85Å; D585-S588 PolarHBondContact O-N 3.3Å; D585-F589 PolarHBondContact O-N 3.3Å
586A94.3Very high94Very high2 Ų232.5 Ų32.52%0.01719%0.191CC..Hα-helixtrans-64.6-40.9177.200000112.8I545 D583 F589 L590I545-A586 HydrophobicContact CB-CB 4.48Å; I545-A586 HydrophobicContact CD1-CB 3.8Å; I545-A586 HydrophobicContact CG1-CB 3.8Å; I545-A586 HydrophobicContact CG2-CB 3.87Å; D583-A586 HydrophobicContact CB-CB 4.03Å; D583-A586 PolarHBondContact O-N 2.89Å; D583-A586 PolarHBondContact OD1-N 3.25Å; D583-A586 VanDerWaalsContact OD1-N 3.13Å; D583-A586 WeakPolarHBondContact OD2-CB 3.29Å; A586-F589 WeakPolarHBondContact O-CB 3.19Å; A586-F589 PolarHBondContact O-N 3.16Å; A586-L590 WeakPolarHBondContact O-CG 3.2Å; A586-L590 PolarHBondContact O-N 2.92Å
587L96Very high93.7Very high7 Ų732.6 Ų32.64%0.03719%0.192CC..Hα-helixtrans-66.7-39177.2-67.7168.6000111.5L551 L576 P582 D583 W584 D585 F589 L590 A591 Y606 L728L551-L587 HydrophobicContact CD1-CD2 4.31Å; L576-L587 HydrophobicContact CB-CD2 4.34Å; L576-L587 HydrophobicContact CD1-CD2 3.87Å; P582-L587 HydrophobicContact CB-CD1 3.72Å; D583-L587 WeakPolarHBondContact O-CB 3.42Å; D583-L587 VanDerWaalsContact O-CG 3.23Å; D583-L587 WeakPolarHBondContact O-CG 3.23Å; D583-L587 PolarHBondContact O-N 2.94Å; W584-L587 HydrophobicContact CE3-CD1 4.01Å; W584-L587 HydrophobicContact CZ3-CD1 4.22Å; D585-L587 PolarHBondContact O-N 2.85Å; L587-F589 VanDerWaalsContact C-N 3.34Å; L587-L590 PolarHBondContact O-N 3.11Å; L587-A591 WeakPolarHBondContact O-CB 3.47Å; L587-A591 PolarHBondContact O-N 2.93Å; L587-Y606 HydrophobicContact CD1-CD1 4.3Å; L587-Y606 HydrophobicContact CD1-CD2 3.56Å; L587-Y606 HydrophobicContact CD1-CE2 4Å; L587-Y606 HydrophobicContact CD1-CG 3.72Å; L587-Y606 HydrophobicContact CD2-CD2 3.63Å; L587-Y606 HydrophobicContact CD2-CE2 4.18Å; L587-Y606 HydrophobicContact CD2-CG 4.43Å; L587-Y606 HydrophobicContact CG-CD2 4.26Å; L587-L728 HydrophobicContact CB-CD1 3.42Å; L587-L728 VanDerWaalsContact CB-CD1 3.42Å; L587-L728 HydrophobicContact CD1-CD1 4.33Å; L587-L728 HydrophobicContact CG-CD1 4.42Å
588S94.1Very high93.6Very high19 Ų1932.7 Ų32.713%0.13319%0.192CC..Hα-helixtrans-65.1-37.6174.6-60.40000112W584 D585 A591 N592 V698W584-S588 VanDerWaalsContact O-CB 3.25Å; W584-S588 WeakPolarHBondContact O-CB 3.5Å; W584-S588 PolarHBondContact O-N 2.83Å; W584-S588 PolarHBondContact O-OG 3.13Å; D585-S588 PolarHBondContact O-N 3.3Å; S588-A591 PolarHBondContact O-N 3.4Å; S588-N592 PolarHBondContact O-N 3.31Å; S588-N592 PolarHBondContact O-ND2 3.13Å; S588-V698 WeakPolarHBondContact OG-CG2 3.43Å
589F94.4Very high93.4Very high17 Ų1739.8 Ų39.88%0.07522%0.224CC..Hα-helixtrans-60.6-47.2171.8169.8-100000111.8E538 R541 L542 I545 D585 A586 L587 A591 N592 L593E538-F589 HydrophobicContact CB-CE2 4.14Å; E538-F589 HydrophobicContact CB-CZ 4Å; E538-F589 HydrophobicContact CG-CE2 4.11Å; E538-F589 HydrophobicContact CG-CZ 4.47Å; E538-F589 WeakPolarHBondContact O-CZ 3.48Å; R541-F589 HydrophobicContact CB-CE1 4.48Å; R541-F589 HydrophobicContact CB-CE2 4.39Å; R541-F589 HydrophobicContact CB-CZ 4.09Å; R541-F589 HydrophobicContact CG-CD1 4.43Å; R541-F589 HydrophobicContact CG-CD2 4.43Å; R541-F589 HydrophobicContact CG-CE1 4.26Å; R541-F589 HydrophobicContact CG-CE2 4.27Å; R541-F589 HydrophobicContact CG-CG 4.5Å; R541-F589 HydrophobicContact CG-CZ 4.17Å; L542-F589 HydrophobicContact CB-CE1 4.09Å; L542-F589 HydrophobicContact CB-CZ 4.48Å; L542-F589 HydrophobicContact CD1-CE1 4.37Å; I545-F589 HydrophobicContact CD1-CB 4.32Å; I545-F589 HydrophobicContact CD1-CD1 3.35Å; I545-F589 HydrophobicContact CD1-CE1 3.92Å; I545-F589 HydrophobicContact CD1-CG 4.06Å; D585-F589 PolarHBondContact O-N 3.3Å; A586-F589 WeakPolarHBondContact O-CB 3.19Å; A586-F589 PolarHBondContact O-N 3.16Å; L587-F589 VanDerWaalsContact C-N 3.34Å; F589-A591 PolarHBondContact O-N 2.92Å; F589-N592 PolarHBondContact O-N 3.23Å; F589-L593 HydrophobicContact CE1-CD2 3.81Å; F589-L593 HydrophobicContact CZ-CD2 3.78Å; F589-L593 WeakPolarHBondContact O-CB 3.46Å; F589-L593 PolarHBondContact O-N 2.9Å; F589-L593 VanDerWaalsContact O-N 3.11Å
590L95.8Very high93.5Very high2 Ų237.7 Ų37.71%0.0121%0.207CC..Hα-helixtrans-64.9-37.6178-69.6172.8000112.6I513 L542 I545 L551 L576 A586 L587 N592 L593 I594I513-L590 HydrophobicContact CG2-CD2 4.14Å; L542-L590 HydrophobicContact CD1-CD2 3.56Å; I545-L590 HydrophobicContact CG2-CD1 4.43Å; L551-L590 HydrophobicContact CD2-CD1 3.36Å; L576-L590 HydrophobicContact CD1-CB 4.2Å; L576-L590 HydrophobicContact CD1-CD1 4.07Å; A586-L590 WeakPolarHBondContact O-CG 3.2Å; A586-L590 PolarHBondContact O-N 2.92Å; L587-L590 PolarHBondContact O-N 3.11Å; L590-N592 PolarHBondContact O-N 2.83Å; L590-L593 PolarHBondContact O-N 2.78Å; L590-L593 VanDerWaalsContact O-N 3.11Å; L590-I594 HydrophobicContact CB-CD1 4.16Å; L590-I594 WeakPolarHBondContact O-CB 3.45Å; L590-I594 WeakPolarHBondContact O-CG1 3.33Å; L590-I594 PolarHBondContact O-N 3.29Å
591A95.3Very high93.7Very high1 Ų134 Ų341%0.00818%0.184CC..Hα-helixtrans-61.2-30177.600000113.2L587 S588 F589 P595 V604 L728L587-A591 WeakPolarHBondContact O-CB 3.47Å; L587-A591 PolarHBondContact O-N 2.93Å; S588-A591 PolarHBondContact O-N 3.4Å; F589-A591 PolarHBondContact O-N 2.92Å; A591-P595 WeakPolarHBondContact O-CD 3.3Å; A591-P595 WeakPolarHBondContact O-CG 3.3Å; A591-V604 HydrophobicContact CB-CB 3.92Å; A591-V604 HydrophobicContact CB-CG1 4.21Å; A591-L728 HydrophobicContact CB-CB 3.73Å; A591-L728 WeakPolarHBondContact CB-O 3.43Å
592N92.1Very high93.9Very high86 Ų8630.8 Ų30.846%0.4616%0.156SC..Hα-helixtrans-86.3-25.3174.4-70.6-51.7000113.7S588 F589 L590 R596S588-N592 PolarHBondContact O-N 3.31Å; S588-N592 PolarHBondContact O-ND2 3.13Å; F589-N592 PolarHBondContact O-N 3.23Å; L590-N592 PolarHBondContact O-N 2.83Å; N592-R596 PolarHBondContact O-NH2 3.01Å; N592-R596 VanDerWaalsContact O-NH2 3.11Å
593L93.8Very high94Very high0 Ų029.8 Ų29.80%015%0.149CC..Hα-helixtrans-88.6-43.2-175.6-175.361.8000112.4A534 L542 F589 L590 R596 I597A534-L593 HydrophobicContact CB-CD1 4.05Å; L542-L593 HydrophobicContact CD1-CD2 4.4Å; L542-L593 HydrophobicContact CD2-CD2 4.08Å; F589-L593 HydrophobicContact CE1-CD2 3.81Å; F589-L593 HydrophobicContact CZ-CD2 3.78Å; F589-L593 WeakPolarHBondContact O-CB 3.46Å; F589-L593 PolarHBondContact O-N 2.9Å; F589-L593 VanDerWaalsContact O-N 3.11Å; L590-L593 PolarHBondContact O-N 2.78Å; L590-L593 VanDerWaalsContact O-N 3.11Å; L593-R596 VanDerWaalsContact O-CB 3.3Å; L593-R596 WeakPolarHBondContact O-CB 3.38Å; L593-R596 PolarHBondContact O-N 2.84Å; L593-R596 VanDerWaalsContact O-N 3.11Å; L593-I597 HydrophobicContact CD1-CD1 4.05Å; L593-I597 HydrophobicContact CD1-CG1 4.36Å; L593-I597 HydrophobicContact CD2-CD1 4.23Å; L593-I597 HydrophobicContact CG-CD1 3.71Å; L593-I597 HydrophobicContact CG-CG1 4.43Å; L593-I597 PolarHBondContact O-N 3.31Å
594I95.9Very high94.1Very high3 Ų327.3 Ų27.32%0.01514%0.136CC..Hα-helixtrans-59-50.7-174.9-70.6165.4000112.3I510 I513 L576 L590 R596 I597 C598 I601 V604I510-I594 HydrophobicContact CG2-CG2 4.26Å; I513-I594 HydrophobicContact CD1-CG1 4.25Å; I513-I594 HydrophobicContact CG2-CG1 3.97Å; L576-I594 HydrophobicContact CD1-CD1 4.39Å; L576-I594 HydrophobicContact CD2-CD1 4.3Å; L590-I594 HydrophobicContact CB-CD1 4.16Å; L590-I594 WeakPolarHBondContact O-CB 3.45Å; L590-I594 WeakPolarHBondContact O-CG1 3.33Å; L590-I594 PolarHBondContact O-N 3.29Å; I594-R596 PolarHBondContact O-N 2.79Å; I594-R596 VanDerWaalsContact O-N 3.15Å; I594-I597 PolarHBondContact O-N 3.16Å; I594-I597 VanDerWaalsContact O-N 3.11Å; I594-C598 WeakPolarHBondContact O-CB 3.39Å; I594-C598 PolarHBondContact O-N 2.89Å; I594-I601 HydrophobicContact CG2-CB 4.48Å; I594-I601 HydrophobicContact CG2-CD1 3.99Å; I594-I601 HydrophobicContact CG2-CG2 4.07Å; I594-V604 HydrophobicContact CB-CG2 3.93Å; I594-V604 HydrophobicContact CD1-CG1 4.14Å; I594-V604 HydrophobicContact CD1-CG2 4.27Å; I594-V604 HydrophobicContact CG2-CG2 4.04Å
595P92.9Very high94.3Very high31 Ų3127 Ų2720%0.20114%0.135CC..Hα-helixtrans-61.5-23.6178.2-26.237.8000114A591 C598 I601 V604A591-P595 WeakPolarHBondContact O-CD 3.3Å; A591-P595 WeakPolarHBondContact O-CG 3.3Å; P595-C598 CarbonylContact O-C 3.55Å; P595-I601 WeakPolarHBondContact CA-O 3.16Å; P595-I601 WeakPolarHBondContact CB-O 3.29Å; P595-V604 HydrophobicContact CG-CG2 4.06Å
596R90.8Very high94.5Very high92 Ų9222.6 Ų22.635%0.34711%0.111SC..Hα-helixtrans-77.4-32.4178.5-149.7-170.3-45147.15.9112.2E538 N592 L593 I594 H599E538-R596 VanDerWaalsContact CD-NH1 3.31Å; E538-R596 IonicContact OE1-CZ 2.66Å; E538-R596 IonicContact OE1-NH1 3.78Å; E538-R596 PolarHBondContact OE1-NH1 2.77Å; E538-R596 IonicContact OE1-NH2 3.77Å; E538-R596 PolarHBondContact OE1-NH2 2.79Å; E538-R596 IonicContact OE2-NH1 2.91Å; E538-R596 PolarHBondContact OE2-NH1 2.84Å; E538-R596 VanDerWaalsContact OE2-NH1 3.09Å; N592-R596 PolarHBondContact O-NH2 3.01Å; N592-R596 VanDerWaalsContact O-NH2 3.11Å; L593-R596 VanDerWaalsContact O-CB 3.3Å; L593-R596 WeakPolarHBondContact O-CB 3.38Å; L593-R596 PolarHBondContact O-N 2.84Å; L593-R596 VanDerWaalsContact O-N 3.11Å; I594-R596 PolarHBondContact O-N 2.79Å; I594-R596 VanDerWaalsContact O-N 3.15Å; R596-H599 PolarHBondContact O-CE1 3.45Å
597I92.5Very high94.7Very high4 Ų422.5 Ų22.52%0.02111%0.11CC..Hα-helixtrans-83.7-41.7174.9-61.1164.9000110.6I513 I530 A533 L593 I594I513-I597 HydrophobicContact CD1-CB 4.14Å; I513-I597 HydrophobicContact CD1-CD1 3.74Å; I513-I597 HydrophobicContact CD1-CG2 3.99Å; I513-I597 HydrophobicContact CG1-CD1 4.06Å; I530-I597 HydrophobicContact CG1-CG2 4.09Å; I530-I597 HydrophobicContact CG2-CD1 3.99Å; A533-I597 HydrophobicContact CB-CB 4.48Å; A533-I597 HydrophobicContact CB-CG1 3.9Å; L593-I597 HydrophobicContact CD1-CD1 4.05Å; L593-I597 HydrophobicContact CD1-CG1 4.36Å; L593-I597 HydrophobicContact CD2-CD1 4.23Å; L593-I597 HydrophobicContact CG-CD1 3.71Å; L593-I597 HydrophobicContact CG-CG1 4.43Å; L593-I597 PolarHBondContact O-N 3.31Å; I594-I597 PolarHBondContact O-N 3.16Å; I594-I597 VanDerWaalsContact O-N 3.11Å
598C94.3Very high94.7Very high2 Ų222.2 Ų22.21%0.01411%0.109CC..  trans-112.387.4-177.2-58.90000109.4I594 P595 N600 I601I594-C598 WeakPolarHBondContact O-CB 3.39Å; I594-C598 PolarHBondContact O-N 2.89Å; P595-C598 CarbonylContact O-C 3.55Å; C598-N600 PolarHBondContact O-N 2.78Å; C598-N600 VanDerWaalsContact O-N 3.09Å; C598-I601 HydrophobicContact CB-CB 4.17Å; C598-I601 HydrophobicContact CB-CD1 3.74Å; C598-I601 HydrophobicContact CB-CG1 4.12Å; C598-I601 PolarHBondContact O-N 3.22Å
599H90Very high94.7Very high156 Ų15623 Ų2372%0.72212%0.12SC*.THydrogen-bonded Turntrans-62-19-176.5-58.6-58.4000114.6R596 I601R596-H599 PolarHBondContact O-CE1 3.45Å; H599-I601 VanDerWaalsContact C-N 3.31Å
600N93.4Very high94.7Very high34 Ų3426.7 Ų26.718%0.18215%0.145CC..THydrogen-bonded Turntrans-885.9173.767-17.3000113.4D502 T506 S571 Y572 C598D502-N600 PolarHBondContact OD2-ND2 3.44Å; T506-N600 PolarHBondContact OG1-ND2 3.12Å; S571-N600 WeakPolarHBondContact CB-O 3.3Å; Y572-N600 WeakPolarHBondContact CB-O 3.49Å; Y572-N600 HydrophobicContact CD2-CB 4.4Å; Y572-N600 WeakPolarHBondContact CD2-O 3.36Å; Y572-N600 PolarHBondContact N-O 3.34Å; C598-N600 PolarHBondContact O-N 2.78Å; C598-N600 VanDerWaalsContact O-N 3.09Å
601I95.6Very high94.6Very high3 Ų328.9 Ų28.92%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-109.6126.3166.9-69.8167.8000108T506 I510 Y572 C574 I594 P595 C598 H599 R603 V604T506-I601 HydrophobicContact CG2-CD1 3.55Å; T506-I601 HydrophobicContact CG2-CG1 3.89Å; I510-I601 HydrophobicContact CG2-CD1 3.39Å; Y572-I601 CarbonylContact O-C 3.57Å; Y572-I601 WeakPolarHBondContact O-CA 3.5Å; C574-I601 HydrophobicContact CB-CD1 4.02Å; C574-I601 HydrophobicContact CB-CG2 3.8Å; I594-I601 HydrophobicContact CG2-CB 4.48Å; I594-I601 HydrophobicContact CG2-CD1 3.99Å; I594-I601 HydrophobicContact CG2-CG2 4.07Å; P595-I601 WeakPolarHBondContact CA-O 3.16Å; P595-I601 WeakPolarHBondContact CB-O 3.29Å; C598-I601 HydrophobicContact CB-CB 4.17Å; C598-I601 HydrophobicContact CB-CD1 3.74Å; C598-I601 HydrophobicContact CB-CG1 4.12Å; C598-I601 PolarHBondContact O-N 3.22Å; H599-I601 VanDerWaalsContact C-N 3.31Å; I601-R603 VanDerWaalsContact CG2-O 3.28Å; I601-R603 WeakPolarHBondContact CG2-O 3.32Å; I601-V604 HydrophobicContact CG2-CG2 4.43Å
602N93.6Very high94.6Very high11 Ų1129 Ų296%0.05916%0.156CC..EExtended strand (participates in β ladder)trans-118.8-4.6179.571.2-6.7000113.6S560 G562 S571 Y572 T729 K731S560-N602 PolarHBondContact O-ND2 2.62Å; S560-N602 PolarHBondContact OG-OD1 3Å; G562-N602 PolarHBondContact N-ND2 2.97Å; S571-N602 PolarHBondContact O-OD1 3.48Å; Y572-N602 PolarHBondContact O-N 2.77Å; Y572-N602 PolarHBondContact O-OD1 2.86Å; Y572-N602 VanDerWaalsContact O-OD1 3.05Å; N602-T729 WeakPolarHBondContact O-CG2 3.5Å; N602-K731 WeakPolarHBondContact O-CE 3.14Å; N602-K731 PolarHBondContact O-NZ 3.45Å
603R95.7Very high94.6Very high0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-135.7143.5173.5-62-69.9175.2174.6-2.3111.2S560 V561 A573 C574 I601 R684 D727 T729 K731 T735 E737 W738S560-R603 WeakPolarHBondContact OG-CG 3.37Å; V561-R603 PolarHBondContact O-NH2 2.85Å; A573-R603 HydrophobicContact CB-CB 3.91Å; C574-R603 PolarHBondContact N-O 2.75Å; I601-R603 VanDerWaalsContact CG2-O 3.28Å; I601-R603 WeakPolarHBondContact CG2-O 3.32Å; R603-R684 VanDerWaalsContact NH1-NH2 3.15Å; R603-D727 IonicContact NH1-OD2 2.85Å; R603-T729 WeakPolarHBondContact CA-OG1 3.46Å; R603-K731 VanDerWaalsContact CZ-CG 3.43Å; R603-T735 PolarHBondContact NH2-O 2.86Å; R603-E737 PolarHBondContact NH2-O 3.35Å; R603-W738 HydrophobicContact CB-CH2 4.34Å; R603-W738 HydrophobicContact CB-CZ2 3.93Å; R603-W738 HydrophobicContact CG-CZ2 3.94Å
604V97.7Very high94.5Very high0 Ų032.7 Ų32.70%018%0.178CC..EExtended strand (participates in β ladder)trans-127.1121.3169-175.40000108.6C574 L576 A591 I594 P595 I601 L728 T729C574-V604 HydrophobicContact CB-CG2 4.42Å; C574-V604 CarbonylContact O-C 3.53Å; C574-V604 VanDerWaalsContact O-CA 3.29Å; C574-V604 WeakPolarHBondContact O-CA 3.44Å; L576-V604 HydrophobicContact CD1-CG1 3.69Å; L576-V604 HydrophobicContact CG-CG1 4.01Å; A591-V604 HydrophobicContact CB-CB 3.92Å; A591-V604 HydrophobicContact CB-CG1 4.21Å; I594-V604 HydrophobicContact CB-CG2 3.93Å; I594-V604 HydrophobicContact CD1-CG1 4.14Å; I594-V604 HydrophobicContact CD1-CG2 4.27Å; I594-V604 HydrophobicContact CG2-CG2 4.04Å; P595-V604 HydrophobicContact CG-CG2 4.06Å; I601-V604 HydrophobicContact CG2-CG2 4.43Å; V604-L728 PolarHBondContact O-N 3.24Å; V604-T729 PolarHBondContact N-OG1 2.98Å; V604-T729 PolarHBondContact O-OG1 3.44Å
605V98.1Very high94.1Very high0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-121.6153-179.6-60.90000110.9C574 A575 L576 V682 L725 Y726 D727 W738C574-V605 WeakPolarHBondContact O-CG2 3.4Å; C574-V605 PolarHBondContact O-N 3.15Å; A575-V605 CarbonylContact C-O 3.11Å; A575-V605 WeakPolarHBondContact CA-O 2.97Å; A575-V605 HydrophobicContact CB-CG2 3.74Å; L576-V605 PolarHBondContact N-O 3.12Å; V605-V682 HydrophobicContact CG1-CG1 4.2Å; V605-L725 HydrophobicContact CB-CB 4.33Å; V605-L725 HydrophobicContact CB-CD2 4.34Å; V605-L725 HydrophobicContact CG2-CB 4.4Å; V605-L725 HydrophobicContact CG2-CD2 3.52Å; V605-Y726 CarbonylContact C-O 3.52Å; V605-Y726 VanDerWaalsContact CA-O 3.27Å; V605-Y726 WeakPolarHBondContact CA-O 3.49Å; V605-D727 HydrophobicContact CG1-CB 3.94Å; V605-W738 HydrophobicContact CG1-CH2 3.32Å; V605-W738 HydrophobicContact CG1-CZ2 3.19Å; V605-W738 HydrophobicContact CG2-CH2 4.43Å
606Y98.3Very high93.9Very high5 Ų534.6 Ų34.62%0.0219%0.19CC..EExtended strand (participates in β ladder)trans-105.2130170.5-175.6-102.7000110.4L576 P582 W584 L587 L608 L725 Y726L576-Y606 HydrophobicContact CB-CD2 4.19Å; L576-Y606 CarbonylContact O-C 3.55Å; L576-Y606 WeakPolarHBondContact O-CA 3.4Å; L576-Y606 WeakPolarHBondContact O-CD2 3.3Å; P582-Y606 HydrophobicContact CB-CD1 4.21Å; P582-Y606 HydrophobicContact CB-CE1 3.69Å; P582-Y606 HydrophobicContact CB-CE2 4.47Å; P582-Y606 HydrophobicContact CG-CE1 4.1Å; W584-Y606 HydrophobicContact CH2-CD1 4.18Å; W584-Y606 HydrophobicContact CZ3-CD1 4.35Å; L587-Y606 HydrophobicContact CD1-CD1 4.3Å; L587-Y606 HydrophobicContact CD1-CD2 3.56Å; L587-Y606 HydrophobicContact CD1-CE2 4Å; L587-Y606 HydrophobicContact CD1-CG 3.72Å; L587-Y606 HydrophobicContact CD2-CD2 3.63Å; L587-Y606 HydrophobicContact CD2-CE2 4.18Å; L587-Y606 HydrophobicContact CD2-CG 4.43Å; L587-Y606 HydrophobicContact CG-CD2 4.26Å; Y606-L608 HydrophobicContact CD1-CD2 3.96Å; Y606-L608 HydrophobicContact CE1-CD2 4.18Å; Y606-L725 CarbonylContact O-C 3.51Å; Y606-L725 WeakPolarHBondContact O-CA 3.25Å; Y606-Y726 PolarHBondContact N-O 2.99Å; Y606-Y726 PolarHBondContact O-N 2.97Å
607I98.2Very high93.9Very high0 Ų034.5 Ų34.50%020%0.197CC..EExtended strand (participates in β ladder)trans-83.3117.6176.5-50.3173.5000107.8A575 L576 V612 F664 R723 L725A575-I607 HydrophobicContact CB-CD1 3.8Å; A575-I607 HydrophobicContact CB-CG1 3.92Å; L576-I607 PolarHBondContact O-N 2.89Å; I607-V612 HydrophobicContact CD1-CG2 3.54Å; I607-V612 HydrophobicContact CG2-CG2 4.19Å; I607-F664 HydrophobicContact CD1-CD1 3.9Å; I607-F664 HydrophobicContact CD1-CE1 3.4Å; I607-F664 VanDerWaalsContact CD1-CE1 3.4Å; I607-F664 HydrophobicContact CD1-CZ 3.9Å; I607-F664 HydrophobicContact CG1-CE1 4.37Å; I607-F664 HydrophobicContact CG1-CZ 4.41Å; I607-R723 HydrophobicContact CG2-CB 4.12Å; I607-R723 HydrophobicContact CG2-CG 4.1Å; I607-L725 HydrophobicContact CB-CG 4.46Å; I607-L725 HydrophobicContact CG1-CD2 3.96Å; I607-L725 HydrophobicContact CG1-CG 4.08Å; I607-L725 HydrophobicContact CG2-CG 4.5Å
608L97.2Very high93.8Very high1 Ų136.4 Ų36.41%0.00521%0.207CC..  trans-77.1145.9177.9-61.6170.3000110.5W584 Y606 V708 Q712 V724W584-L608 HydrophobicContact CH2-CD2 3.9Å; W584-L608 HydrophobicContact CZ2-CD2 4.45Å; Y606-L608 HydrophobicContact CD1-CD2 3.96Å; Y606-L608 HydrophobicContact CE1-CD2 4.18Å; L608-V708 HydrophobicContact CD1-CG1 4.3Å; L608-Q712 HydrophobicContact CB-CG 4.09Å; L608-Q712 HydrophobicContact CD1-CB 3.91Å; L608-Q712 HydrophobicContact CD1-CG 4.16Å; L608-V724 WeakPolarHBondContact CB-O 3.26Å; L608-V724 HydrophobicContact CD1-CB 4.4Å; L608-V724 HydrophobicContact CD1-CG1 4.05Å; L608-V724 PolarHBondContact N-O 3.47Å
609G94.2Very high93.9Very high35 Ų3537 Ų3736%0.36121%0.21SC..SBendtrans99.3-160.4-175.900000113.4
610P93.4Very high94.2Very high94 Ų9429.8 Ų29.861%0.6118%0.176SC*.SBendtrans-61.6157.4179.7-22.534000113.2V612P610-V612 PolarHBondContact O-N 3.45Å
611Q94.6Very high94.4Very high49 Ų4933 Ų3323%0.22919%0.192CC..PPolyproline II helixtrans-59.2133.2174.6-170.3165.547.700111S550 A552 S578S550-Q611 PolarHBondContact O-NE2 2.83Å; S550-Q611 PolarHBondContact OG-NE2 3.42Å; S550-Q611 PolarHBondContact OG-OE1 2.86Å; A552-Q611 HydrophobicContact CB-CG 4.31Å; S578-Q611 PolarHBondContact O-N 3.38Å
612V94.6Very high94.4Very high4 Ų432.9 Ų32.92%0.02419%0.192CC..PPolyproline II helixtrans-66.2135.2175.4171.60000109.7Y554 S577 I607 P610 H614 F664 D665Y554-V612 HydrophobicContact CE1-CG1 4.43Å; Y554-V612 HydrophobicContact CE2-CB 3.77Å; Y554-V612 HydrophobicContact CE2-CG1 3.95Å; Y554-V612 PolarHBondContact OH-O 2.98Å; S577-V612 PolarHBondContact OG-N 3.39Å; I607-V612 HydrophobicContact CD1-CG2 3.54Å; I607-V612 HydrophobicContact CG2-CG2 4.19Å; P610-V612 PolarHBondContact O-N 3.45Å; V612-H614 WeakPolarHBondContact CG1-O 3.42Å; V612-F664 HydrophobicContact CG1-CD1 4.27Å; V612-F664 HydrophobicContact CG2-CD1 3.95Å; V612-D665 WeakPolarHBondContact CA-OD1 3.42Å; V612-D665 WeakPolarHBondContact CG1-OD1 3.18Å
613V91.1Very high94.6Very high107 Ų10734.4 Ų34.465%0.64820%0.197SC*.  trans-96.4-35.1-173.7-177.30000111.8D665V613-D665 PolarHBondContact N-OD1 2.92Å
614H91.9Very high94.7Very high55 Ų5534.4 Ų34.426%0.25520%0.197SC..SBendtrans-116.4144-173.7-60.8-55.4000112.3V612 R666 P668V612-H614 WeakPolarHBondContact CG1-O 3.42Å; H614-R666 WeakPolarHBondContact CB-O 3.47Å; H614-P668 HydrophobicContact CB-CG 4.49Å
615P88.1Confident94.5Very high67 Ų6741.1 Ų41.144%0.43522%0.222SC..  trans-66.8148.517530-35000111.4
616V89.5Confident94.4Very high7 Ų746.7 Ų46.74%0.04225%0.248CC..  trans-98.1104.5177.2-178.70000109.2P557 I662 F664P557-V616 HydrophobicContact CG-CG1 4.14Å; V616-I662 HydrophobicContact CG1-CD1 4.16Å; V616-I662 HydrophobicContact CG1-CG2 3.66Å; V616-I662 HydrophobicContact CG2-CG2 4.31Å; V616-F664 HydrophobicContact CG2-CD1 3.49Å; V616-F664 VanDerWaalsContact CG2-CD1 3.49Å; V616-F664 HydrophobicContact CG2-CE1 3.64Å; V616-F664 HydrophobicContact CG2-CG 4.33Å
617N89.5Confident94.2Very high91 Ų9150.9 Ų50.949%0.48728%0.276SS..  trans-116.51.3-179.5-64.5-32.5000113.2
618D92.1Very high94.2Very high43 Ų4351.3 Ų51.323%0.2328%0.279CS..  trans-140.7175.2179.175.7-24.5000112.2R666 V671D618-R666 IonicContact OD1-NH1 3.13Å; D618-R666 PolarHBondContact OD1-NH1 2.86Å; D618-R666 IonicContact OD2-CZ 2.67Å; D618-R666 IonicContact OD2-NH1 3.64Å; D618-R666 PolarHBondContact OD2-NH1 3.03Å; D618-R666 IonicContact OD2-NH2 3.43Å; D618-V671 WeakPolarHBondContact OD2-CG1 3.33Å
619I95.5Very high94.2Very high16 Ų1651.4 Ų51.48%0.08228%0.279CS..  trans-131.1156.5-172.46284.4000111.3A494 P497 P557 I558 I621 P661 I662A494-I619 HydrophobicContact CB-CD1 4.09Å; A494-I619 HydrophobicContact CB-CG1 4.39Å; P497-I619 HydrophobicContact CB-CG1 4.35Å; P497-I619 HydrophobicContact CB-CG2 4.16Å; P557-I619 HydrophobicContact CB-CG2 4.44Å; P557-I619 HydrophobicContact CG-CG2 3.87Å; I558-I619 HydrophobicContact CG2-CG2 4.16Å; I619-I621 HydrophobicContact CD1-CG1 4.11Å; I619-P661 CarbonylContact C-O 3.47Å; I619-P661 WeakPolarHBondContact CA-O 3.27Å; I619-P661 WeakPolarHBondContact CB-O 3.43Å; I619-I662 HydrophobicContact CG2-CD1 4.01Å
620T96.6Very high94.4Very high3 Ų353.5 Ų53.52%0.01828%0.282CS..  trans-85.1113.8165.9-58.10000108.7T622 P661 S676 L678 R679T620-T622 PolarHBondContact O-N 3.31Å; T620-T622 VanDerWaalsContact O-N 3.08Å; T620-T622 PolarHBondContact O-OG1 3.29Å; T620-P661 PolarHBondContact N-O 3.42Å; T620-P661 WeakPolarHBondContact O-CB 3.44Å; T620-S676 WeakPolarHBondContact OG1-CB 3.25Å; T620-S676 PolarHBondContact OG1-OG 2.92Å; T620-L678 VanDerWaalsContact CB-O 3.31Å; T620-L678 WeakPolarHBondContact CB-O 3.48Å; T620-L678 WeakPolarHBondContact CG2-O 3.33Å; T620-L678 PolarHBondContact OG1-O 3.21Å; T620-R679 HydrophobicContact CG2-CG 4.21Å
621I96.3Very high94.6Very high101 Ų10150.5 Ų50.552%0.51826%0.262SS..  trans-52122.3178-62.6176.5000109.5A494 I619 Y623 R679A494-I621 WeakPolarHBondContact O-CA 3.33Å; I619-I621 HydrophobicContact CD1-CG1 4.11Å; I621-Y623 HydrophobicContact CG2-CD2 4.02Å; I621-Y623 HydrophobicContact CG2-CE2 3.47Å; I621-Y623 VanDerWaalsContact CG2-CE2 3.47Å; I621-R679 PolarHBondContact O-NH2 3.05Å
622T97.4Very high94.8Very high1 Ų148.1 Ų48.11%0.00625%0.251CS..BIsolated β-bridgetrans-137.1124.7-170.3-61.50000110.5I491 C493 A494 T620 V628 R679I491-T622 HydrophobicContact CG2-CG2 3.97Å; C493-T622 CarbonylContact C-O 3.55Å; C493-T622 WeakPolarHBondContact CA-O 3.41Å; C493-T622 VanDerWaalsContact CB-O 3.22Å; C493-T622 WeakPolarHBondContact CB-O 3.23Å; A494-T622 PolarHBondContact N-O 2.95Å; A494-T622 PolarHBondContact O-N 2.83Å; T620-T622 PolarHBondContact O-N 3.31Å; T620-T622 VanDerWaalsContact O-N 3.08Å; T620-T622 PolarHBondContact O-OG1 3.29Å; T622-V628 HydrophobicContact CG2-CG1 3.92Å; T622-R679 PolarHBondContact OG1-NE 2.98Å; T622-R679 PolarHBondContact OG1-NH2 3.13Å
623Y97.2Very high94.9Very high43 Ų4350.2 Ų50.217%0.16926%0.259CS..  trans-130165.8171.7-61.9-76.7000108.8R371 T372 I375 A495 I621 R625R371-Y623 WeakPolarHBondContact O-CB 3.34Å; T372-Y623 WeakPolarHBondContact O-CD1 3.3Å; T372-Y623 WeakPolarHBondContact O-CE1 3.26Å; I375-Y623 HydrophobicContact CG2-CD1 3.95Å; I375-Y623 HydrophobicContact CG2-CE1 3.63Å; A495-Y623 VanDerWaalsContact CB-OH 3.29Å; A495-Y623 WeakPolarHBondContact CB-OH 3.42Å; I621-Y623 HydrophobicContact CG2-CD2 4.02Å; I621-Y623 HydrophobicContact CG2-CE2 3.47Å; I621-Y623 VanDerWaalsContact CG2-CE2 3.47Å; Y623-R625 PolarHBondContact O-N 3.29Å
624L96.7Very high95.3Very high0 Ų048 Ų480%024%0.241CC..SBendtrans-71.872.4176.3-64.3176.3000111.6F250 L280 L370 R371 K380 A488 I491F250-L624 HydrophobicContact CE1-CB 4.37Å; F250-L624 HydrophobicContact CE1-CD1 4.24Å; F250-L624 HydrophobicContact CZ-CD1 4.34Å; L280-L624 VanDerWaalsContact CD2-O 3.29Å; L280-L624 WeakPolarHBondContact CD2-O 3.43Å; L370-L624 HydrophobicContact CD1-CD1 3.8Å; L370-L624 HydrophobicContact CD2-CD1 4.31Å; L370-L624 HydrophobicContact CG-CD1 3.76Å; R371-L624 WeakPolarHBondContact CA-O 3.29Å; R371-L624 VanDerWaalsContact CB-O 3.22Å; R371-L624 WeakPolarHBondContact CB-O 3.43Å; K380-L624 HydrophobicContact CD-CD1 4.02Å; K380-L624 HydrophobicContact CG-CD1 4.21Å; A488-L624 HydrophobicContact CB-CD1 3.83Å; A488-L624 HydrophobicContact CB-CD2 4.37Å; I491-L624 HydrophobicContact CB-CD2 3.8Å; I491-L624 HydrophobicContact CD1-CD2 3.79Å; I491-L624 HydrophobicContact CG1-CD2 4.37Å; I491-L624 HydrophobicContact CG2-CD2 4Å
625R94.7Very high95.6Very high141 Ų14145.3 Ų45.353%0.53223%0.229SC..  trans-101.2151.3173.8-62.4-176.8-178.5165.20.5110.1Y623 V628 I629Y623-R625 PolarHBondContact O-N 3.29Å; R625-V628 HydrophobicContact CB-CG2 4.41Å; R625-V628 WeakPolarHBondContact O-CB 3.45Å; R625-V628 PolarHBondContact O-N 3.43Å; R625-I629 WeakPolarHBondContact O-CG1 3.45Å; R625-I629 PolarHBondContact O-N 3.29Å
626E95Very high96.1Very high117 Ų11742.3 Ų42.355%0.54721%0.209SC..Hα-helixtrans-48.3-50.4-177.9-67.3168.4-149.800113.2L280 V628 I629 D630L280-E626 HydrophobicContact CD1-CG 3.88Å; E626-V628 VanDerWaalsContact C-N 3.27Å; E626-V628 PolarHBondContact O-N 2.84Å; E626-I629 PolarHBondContact O-N 3.09Å; E626-I629 VanDerWaalsContact O-N 3.13Å; E626-D630 WeakPolarHBondContact O-CB 3.37Å; E626-D630 PolarHBondContact O-N 3.38Å
627P95.2Very high96.5Very high93 Ų9343.2 Ų43.260%0.60421%0.214SC*.Hα-helixtrans-61.4-33.8179.5-23.735.2000113.8T631P627-T631 PolarHBondContact O-N 3.35Å; P627-T631 PolarHBondContact O-OG1 3.41Å
628V97.3Very high96.9Very high10 Ų1041.3 Ų41.36%0.06120%0.201CC..Hα-helixtrans-71.1-41.4179179.60000110.6I491 T622 R625 E626 L632 L659I491-V628 HydrophobicContact CG2-CG1 3.8Å; T622-V628 HydrophobicContact CG2-CG1 3.92Å; R625-V628 HydrophobicContact CB-CG2 4.41Å; R625-V628 WeakPolarHBondContact O-CB 3.45Å; R625-V628 PolarHBondContact O-N 3.43Å; E626-V628 VanDerWaalsContact C-N 3.27Å; E626-V628 PolarHBondContact O-N 2.84Å; V628-L632 PolarHBondContact O-N 3.05Å; V628-L659 HydrophobicContact CG1-CD2 3.61Å
629I97.4Very high97.2Very high2 Ų239.2 Ų39.21%0.0119%0.19CC..Hα-helixtrans-65.9-43.8177.9-61.3159.1000109.8F250 L280 I491 R625 E626 L632 R633F250-I629 HydrophobicContact CD1-CD1 4.04Å; F250-I629 HydrophobicContact CD1-CG1 4.4Å; F250-I629 HydrophobicContact CD1-CG2 4.5Å; F250-I629 HydrophobicContact CE1-CD1 3.57Å; F250-I629 HydrophobicContact CE1-CG1 4.27Å; L280-I629 HydrophobicContact CD2-CD1 3.71Å; I491-I629 HydrophobicContact CD1-CB 4.31Å; I491-I629 HydrophobicContact CD1-CG1 3.82Å; R625-I629 WeakPolarHBondContact O-CG1 3.45Å; R625-I629 PolarHBondContact O-N 3.29Å; E626-I629 PolarHBondContact O-N 3.09Å; E626-I629 VanDerWaalsContact O-N 3.13Å; I629-L632 PolarHBondContact O-N 3.45Å; I629-R633 HydrophobicContact CG2-CG 4.48Å; I629-R633 WeakPolarHBondContact O-CG 3.45Å; I629-R633 PolarHBondContact O-N 2.83Å
630D97.6Very high97.2Very high79 Ų7939.5 Ų39.542%0.42219%0.191SC..Hα-helixtrans-67.7-37.1179.7-68.1-20.9000112.2E626 L632 R633 E634E626-D630 WeakPolarHBondContact O-CB 3.37Å; E626-D630 PolarHBondContact O-N 3.38Å; D630-L632 PolarHBondContact O-N 2.88Å; D630-R633 PolarHBondContact O-N 3.03Å; D630-R633 IonicContact OD1-CZ 3.82Å; D630-R633 IonicContact OD1-NH1 3.94Å; D630-R633 PolarHBondContact OD1-NH1 3.42Å; D630-E634 WeakPolarHBondContact O-CB 3.4Å; D630-E634 PolarHBondContact O-N 3.42Å
631T98.3Very high97.1Very high31 Ų3141.5 Ų41.519%0.1921%0.206CC..Hα-helixtrans-55.1-50.7169.1-64.70000110.9P627 R633 E634 V635 L659 V718 I721P627-T631 PolarHBondContact O-N 3.35Å; P627-T631 PolarHBondContact O-OG1 3.41Å; T631-R633 PolarHBondContact O-N 3.3Å; T631-E634 PolarHBondContact O-N 2.95Å; T631-V635 VanDerWaalsContact O-CG2 3.31Å; T631-V635 WeakPolarHBondContact O-CG2 3.31Å; T631-V635 PolarHBondContact O-N 2.66Å; T631-L659 HydrophobicContact CG2-CD1 4.44Å; T631-V718 HydrophobicContact CG2-CG1 4.2Å; T631-I721 HydrophobicContact CG2-CD1 3.68Å; T631-I721 HydrophobicContact CG2-CG1 4.46Å
632L98.3Very high97.2Very high0 Ų037.8 Ų37.80%019%0.188CC..Hα-helixtrans-66.3-39.1179.9-17957.3000112.1L487 R490 I491 V628 I629 D630 E634 V635 D636 V657 L659L487-L632 HydrophobicContact CB-CD2 4.26Å; L487-L632 HydrophobicContact CD2-CD2 4Å; L487-L632 HydrophobicContact CD2-CG 4.24Å; R490-L632 HydrophobicContact CB-CD2 3.85Å; I491-L632 HydrophobicContact CD1-CB 4.45Å; I491-L632 HydrophobicContact CD1-CD2 4.13Å; I491-L632 HydrophobicContact CG1-CB 4.28Å; I491-L632 HydrophobicContact CG1-CD2 3.4Å; I491-L632 VanDerWaalsContact CG1-CD2 3.4Å; I491-L632 HydrophobicContact CG1-CG 4.48Å; V628-L632 PolarHBondContact O-N 3.05Å; I629-L632 PolarHBondContact O-N 3.45Å; D630-L632 PolarHBondContact O-N 2.88Å; L632-E634 VanDerWaalsContact C-N 3.31Å; L632-E634 PolarHBondContact O-N 3.45Å; L632-V635 PolarHBondContact O-N 2.6Å; L632-D636 VanDerWaalsContact O-CB 3.23Å; L632-D636 WeakPolarHBondContact O-CB 3.25Å; L632-D636 PolarHBondContact O-N 3.47Å; L632-V657 HydrophobicContact CD1-CB 4.44Å; L632-V657 HydrophobicContact CD1-CG1 3.88Å; L632-L659 HydrophobicContact CB-CB 4.29Å; L632-L659 HydrophobicContact CB-CD2 4.4Å; L632-L659 HydrophobicContact CD1-CB 4.13Å; L632-L659 HydrophobicContact CD2-CB 4.19Å; L632-L659 HydrophobicContact CG-CB 4.42Å
633R97.7Very high97.1Very high47 Ų4737.8 Ų37.818%0.17719%0.187CC..Hα-helixtrans-57.8-44.2175.2-78.8176.4169.8141.7-3.5112.5G249 L251 K253 L487 I629 D630 T631 D637G249-R633 PolarHBondContact O-NH2 3.44Å; L251-R633 PolarHBondContact O-NE 2.69Å; K253-R633 HydrophobicContact CB-CB 4.3Å; L487-R633 HydrophobicContact CD1-CB 4.3Å; L487-R633 HydrophobicContact CD1-CG 3.28Å; I629-R633 HydrophobicContact CG2-CG 4.48Å; I629-R633 WeakPolarHBondContact O-CG 3.45Å; I629-R633 PolarHBondContact O-N 2.83Å; D630-R633 PolarHBondContact O-N 3.03Å; D630-R633 IonicContact OD1-CZ 3.82Å; D630-R633 IonicContact OD1-NH1 3.94Å; D630-R633 PolarHBondContact OD1-NH1 3.42Å; T631-R633 PolarHBondContact O-N 3.3Å; R633-D637 WeakPolarHBondContact O-CB 3.19Å; R633-D637 PolarHBondContact O-N 3.34Å
634E98.5Very high96.9Very high60 Ų6041 Ų4128%0.2820%0.204SC..Hα-helixtrans-65.6-45.9179.7-17164.1-153.900110.9K253 D630 T631 L632 K638 V718K253-E634 VanDerWaalsContact CE-OE2 3.28Å; K253-E634 WeakPolarHBondContact CE-OE2 3.44Å; K253-E634 VanDerWaalsContact NZ-CD 3.29Å; K253-E634 IonicContact NZ-OE1 3.75Å; K253-E634 PolarHBondContact NZ-OE1 2.86Å; K253-E634 IonicContact NZ-OE2 3.2Å; K253-E634 PolarHBondContact NZ-OE2 3.48Å; D630-E634 WeakPolarHBondContact O-CB 3.4Å; D630-E634 PolarHBondContact O-N 3.42Å; T631-E634 PolarHBondContact O-N 2.95Å; L632-E634 VanDerWaalsContact C-N 3.31Å; L632-E634 PolarHBondContact O-N 3.45Å; E634-K638 WeakPolarHBondContact O-CB 3.33Å; E634-K638 WeakPolarHBondContact O-CG 3.27Å; E634-K638 PolarHBondContact O-N 3.19Å; E634-K638 WeakPolarHBondContact OE1-CE 3.42Å; E634-V718 HydrophobicContact CB-CG1 4.07Å; E634-V718 HydrophobicContact CB-CG2 4.31Å; E634-V718 HydrophobicContact CG-CG1 4.03Å; E634-V718 HydrophobicContact CG-CG2 3.77Å
635V98.6Very high96.9Very high0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-63.2-47.1177.3179.20000111.1T631 L632 D637 K638 V639 V657 V681 A715 V718 I721T631-V635 VanDerWaalsContact O-CG2 3.31Å; T631-V635 WeakPolarHBondContact O-CG2 3.31Å; T631-V635 PolarHBondContact O-N 2.66Å; L632-V635 PolarHBondContact O-N 2.6Å; V635-D637 PolarHBondContact O-N 3.38Å; V635-K638 PolarHBondContact O-N 2.96Å; V635-V639 HydrophobicContact CG1-CG2 4.02Å; V635-V639 WeakPolarHBondContact O-CB 3.37Å; V635-V639 VanDerWaalsContact O-CG2 3.27Å; V635-V639 WeakPolarHBondContact O-CG2 3.24Å; V635-V639 PolarHBondContact O-N 3.05Å; V635-V657 HydrophobicContact CG1-CG1 3.83Å; V635-V681 HydrophobicContact CG1-CB 4.44Å; V635-V681 HydrophobicContact CG1-CG1 3.89Å; V635-V681 HydrophobicContact CG1-CG2 3.91Å; V635-V681 HydrophobicContact CG2-CG2 4.24Å; V635-A715 HydrophobicContact CG1-CB 3.61Å; V635-V718 HydrophobicContact CB-CG2 4.46Å; V635-V718 HydrophobicContact CG2-CB 3.66Å; V635-V718 HydrophobicContact CG2-CG1 3.87Å; V635-V718 HydrophobicContact CG2-CG2 3.63Å; V635-I721 HydrophobicContact CG2-CD1 4.05Å; V635-I721 HydrophobicContact CG2-CG1 3.88Å
636D98.1Very high97Very high3 Ų343.1 Ų43.12%0.01623%0.226CC..Hα-helixtrans-57.4-49.7178.7-176.490.6000110.6R252 R490 L632 K638 V639 M640 V657R252-D636 WeakPolarHBondContact CD-OD2 3.29Å; R490-D636 IonicContact NH1-OD1 3.84Å; L632-D636 VanDerWaalsContact O-CB 3.23Å; L632-D636 WeakPolarHBondContact O-CB 3.25Å; L632-D636 PolarHBondContact O-N 3.47Å; D636-K638 PolarHBondContact O-N 3.22Å; D636-V639 PolarHBondContact O-N 3.11Å; D636-M640 WeakPolarHBondContact O-CB 3.44Å; D636-M640 WeakPolarHBondContact O-CG 3.4Å; D636-M640 PolarHBondContact O-N 3.27Å; D636-V657 HydrophobicContact CB-CB 4.26Å
637D97.6Very high96.8Very high26 Ų2640.3 Ų40.314%0.13923%0.228CC..Hα-helixtrans-62-42.7178.9-173.765.7000112.4K253 R258 R633 V635 S641K253-D637 HydrophobicContact CB-CB 3.87Å; K253-D637 HydrophobicContact CD-CB 3.84Å; K253-D637 HydrophobicContact CG-CB 4.48Å; K253-D637 IonicContact NZ-OD2 2.93Å; R258-D637 IonicContact NH1-OD1 3.84Å; R258-D637 IonicContact NH2-OD1 3.58Å; R258-D637 PolarHBondContact NH2-OD1 3.14Å; R633-D637 WeakPolarHBondContact O-CB 3.19Å; R633-D637 PolarHBondContact O-N 3.34Å; V635-D637 PolarHBondContact O-N 3.38Å; D637-S641 WeakPolarHBondContact O-CB 3.45Å; D637-S641 PolarHBondContact O-N 2.71Å; D637-S641 PolarHBondContact O-OG 2.79Å
638K98.4Very high96.7Very high51 Ų5136 Ų3622%0.22220%0.2CC..Hα-helixtrans-65.5-47.9177.8-76.9-170.8180-168.60112.5E634 V635 D636 S641 V642 A714 E717 V718E634-K638 WeakPolarHBondContact O-CB 3.33Å; E634-K638 WeakPolarHBondContact O-CG 3.27Å; E634-K638 PolarHBondContact O-N 3.19Å; E634-K638 WeakPolarHBondContact OE1-CE 3.42Å; V635-K638 PolarHBondContact O-N 2.96Å; D636-K638 PolarHBondContact O-N 3.22Å; K638-S641 PolarHBondContact O-N 2.87Å; K638-V642 WeakPolarHBondContact O-CG2 3.39Å; K638-V642 PolarHBondContact O-N 2.84Å; K638-V642 VanDerWaalsContact O-N 3.07Å; K638-A714 HydrophobicContact CB-CB 4.17Å; K638-A714 WeakPolarHBondContact CD-O 3.34Å; K638-E717 IonicContact NZ-OE2 2.74Å; K638-V718 HydrophobicContact CD-CG2 3.78Å
639V98.2Very high96.4Very high0 Ų037.3 Ų37.30%021%0.206CC..Hα-helixtrans-62.2-47.5178.4167.70000110.6V635 D636 S641 V642 L643 V657 L683 M711 A715V635-V639 HydrophobicContact CG1-CG2 4.02Å; V635-V639 WeakPolarHBondContact O-CB 3.37Å; V635-V639 VanDerWaalsContact O-CG2 3.27Å; V635-V639 WeakPolarHBondContact O-CG2 3.24Å; V635-V639 PolarHBondContact O-N 3.05Å; D636-V639 PolarHBondContact O-N 3.11Å; V639-S641 VanDerWaalsContact C-N 3.3Å; V639-S641 PolarHBondContact O-N 3.04Å; V639-V642 WeakPolarHBondContact O-CB 3.29Å; V639-V642 PolarHBondContact O-N 2.93Å; V639-L643 PolarHBondContact O-N 3.1Å; V639-V657 HydrophobicContact CB-CG2 4.17Å; V639-V657 HydrophobicContact CG1-CG2 3.87Å; V639-L683 HydrophobicContact CG1-CD2 3.92Å; V639-L683 HydrophobicContact CG2-CD2 3.99Å; V639-M711 HydrophobicContact CG1-CB 4.28Å; V639-M711 HydrophobicContact CG1-CG 4.08Å; V639-M711 HydrophobicContact CG1-SD 3.82Å; V639-A715 HydrophobicContact CG2-CB 3.97Å
640M95.6Very high95.9Very high21 Ų2142.8 Ų42.810%0.10324%0.235CC..Hα-helixtrans-64.8-35.2179.1-69-56.2-62.800111.9D636 L643 H644 M649 M655D636-M640 WeakPolarHBondContact O-CB 3.44Å; D636-M640 WeakPolarHBondContact O-CG 3.4Å; D636-M640 PolarHBondContact O-N 3.27Å; M640-L643 HydrophobicContact CE-CD2 4.31Å; M640-L643 PolarHBondContact O-N 2.97Å; M640-L643 HydrophobicContact SD-CD2 4.43Å; M640-H644 WeakPolarHBondContact O-CB 3.45Å; M640-H644 PolarHBondContact O-N 3.13Å; M640-M649 HydrophobicContact CE-CE 3.85Å; M640-M649 HydrophobicContact CE-SD 3.61Å; M640-M655 HydrophobicContact CE-CB 4.48Å; M640-M655 HydrophobicContact SD-CB 3.77Å; M640-M655 HydrophobicContact SD-CG 3.81Å
641S96Very high95.5Very high46 Ų4641.7 Ų41.732%0.32223%0.229SC..Hα-helixtrans-63.5-40.7173.8-65.30000112.2D637 K638 V639 H644 N645D637-S641 WeakPolarHBondContact O-CB 3.45Å; D637-S641 PolarHBondContact O-N 2.71Å; D637-S641 PolarHBondContact O-OG 2.79Å; K638-S641 PolarHBondContact O-N 2.87Å; V639-S641 VanDerWaalsContact C-N 3.3Å; V639-S641 PolarHBondContact O-N 3.04Å; S641-H644 PolarHBondContact O-N 2.91Å; S641-N645 VanDerWaalsContact O-CB 3.26Å; S641-N645 WeakPolarHBondContact O-CB 3.34Å; S641-N645 PolarHBondContact O-N 3.06Å; S641-N645 PolarHBondContact O-ND2 2.81Å
642V98Very high95.1Very high23 Ų2340.3 Ų40.314%0.13922%0.221CC..Hα-helixtrans-61.5-47.5173.8171.60000110.5K638 V639 H644 N645 N646 V707 K710 M711 A714K638-V642 WeakPolarHBondContact O-CG2 3.39Å; K638-V642 PolarHBondContact O-N 2.84Å; K638-V642 VanDerWaalsContact O-N 3.07Å; V639-V642 WeakPolarHBondContact O-CB 3.29Å; V639-V642 PolarHBondContact O-N 2.93Å; V642-H644 VanDerWaalsContact C-N 3.32Å; V642-H644 PolarHBondContact O-N 3.31Å; V642-N645 PolarHBondContact O-N 2.96Å; V642-N646 PolarHBondContact O-N 2.88Å; V642-N646 VanDerWaalsContact O-N 3.16Å; V642-N646 PolarHBondContact O-ND2 3.43Å; V642-V707 HydrophobicContact CG1-CG1 4.21Å; V642-K710 HydrophobicContact CG1-CB 3.55Å; V642-M711 HydrophobicContact CB-CG 3.93Å; V642-M711 HydrophobicContact CG1-CG 3.63Å; V642-A714 HydrophobicContact CG2-CB 3.84Å
643L95.1Very high94.7Very high0 Ų042 Ų420%023%0.23CC..Hα-helixtrans-60.5-42.2179.6-169.372000111.9V639 M640 C648 M649 V652 M655 M711V639-L643 PolarHBondContact O-N 3.1Å; M640-L643 HydrophobicContact CE-CD2 4.31Å; M640-L643 PolarHBondContact O-N 2.97Å; M640-L643 HydrophobicContact SD-CD2 4.43Å; L643-C648 HydrophobicContact CD1-CB 3.48Å; L643-C648 VanDerWaalsContact CD1-CB 3.48Å; L643-C648 HydrophobicContact CG-CB 4.13Å; L643-C648 PolarHBondContact O-N 3.43Å; L643-M649 HydrophobicContact CB-SD 4.33Å; L643-M649 HydrophobicContact CD2-SD 3.71Å; L643-M649 HydrophobicContact CG-CG 4.44Å; L643-M649 HydrophobicContact CG-SD 4.07Å; L643-V652 HydrophobicContact CD1-CG2 4.49Å; L643-V652 HydrophobicContact CD2-CG2 3.73Å; L643-M655 HydrophobicContact CD1-CE 4.16Å; L643-M655 HydrophobicContact CD2-CB 4.23Å; L643-M655 HydrophobicContact CD2-CE 4.09Å; L643-M711 HydrophobicContact CB-SD 4.44Å; L643-M711 HydrophobicContact CD1-SD 4.31Å
644H93.3Very high94.4Very high111 Ų11140.5 Ų40.551%0.51423%0.225SC..Hα-helixtrans-65.2-52.4176.2-179.3-88.8000112.8M640 S641 V642 N646 G647 M649M640-H644 WeakPolarHBondContact O-CB 3.45Å; M640-H644 PolarHBondContact O-N 3.13Å; S641-H644 PolarHBondContact O-N 2.91Å; V642-H644 VanDerWaalsContact C-N 3.32Å; V642-H644 PolarHBondContact O-N 3.31Å; H644-N646 PolarHBondContact O-N 2.75Å; H644-G647 PolarHBondContact O-N 3.19Å; H644-M649 VanDerWaalsContact CA-CG 3.47Å; H644-M649 HydrophobicContact CB-CG 3.83Å; H644-M649 HydrophobicContact CB-SD 4.41Å
645N95.8Very high94.2Very high125 Ų12537.7 Ų37.767%0.66821%0.212SC*.Hα-helixtrans-67.8-19.9-174.1-65.7-15.1000113.2S641 V642S641-N645 VanDerWaalsContact O-CB 3.26Å; S641-N645 WeakPolarHBondContact O-CB 3.34Å; S641-N645 PolarHBondContact O-N 3.06Å; S641-N645 PolarHBondContact O-ND2 2.81Å; V642-N645 PolarHBondContact O-N 2.96Å
646N96.1Very high94Very high61 Ų6137.7 Ų37.733%0.32621%0.212SC..THydrogen-bonded Turntrans-97.814.3173.7-64.6-95.9000112.6V642 H644 C648 V707 K710V642-N646 PolarHBondContact O-N 2.88Å; V642-N646 VanDerWaalsContact O-N 3.16Å; V642-N646 PolarHBondContact O-ND2 3.43Å; H644-N646 PolarHBondContact O-N 2.75Å; N646-C648 PolarHBondContact O-N 3.43Å; N646-C648 VanDerWaalsContact O-N 3.16Å; N646-C648 PolarHBondContact O-SG 3.16Å; N646-V707 HydrophobicContact CB-CG1 4.26Å; N646-V707 HydrophobicContact CB-CG2 3.67Å; N646-K710 PolarHBondContact OD1-NZ 3.41Å
647G92.5Very high94Very high57 Ų5737.6 Ų37.659%0.58821%0.211SC*.THydrogen-bonded Turntrans67.314.9175.100000115H644H644-G647 PolarHBondContact O-N 3.19Å
648C93.1Very high94Very high4 Ų436.3 Ų36.33%0.02721%0.205CC..  trans-93.82.4-172.9-68.90000113.5L643 N646 N650 N651L643-C648 HydrophobicContact CD1-CB 3.48Å; L643-C648 VanDerWaalsContact CD1-CB 3.48Å; L643-C648 HydrophobicContact CG-CB 4.13Å; L643-C648 PolarHBondContact O-N 3.43Å; N646-C648 PolarHBondContact O-N 3.43Å; N646-C648 VanDerWaalsContact O-N 3.16Å; N646-C648 PolarHBondContact O-SG 3.16Å; C648-N650 PolarHBondContact O-N 2.78Å; C648-N651 WeakPolarHBondContact O-CB 3.22Å; C648-N651 PolarHBondContact O-N 3.43Å; C648-N651 VanDerWaalsContact O-N 3.08Å
649M89.4Confident94Very high36 Ų3634 Ų3418%0.17719%0.194CC..THydrogen-bonded Turntrans-59.6-33.2179.5-80.1-69.2-60.900113.7H480 M640 L643 H644H480-M649 PolarHBondContact NE2-O 3.22Å; H480-M649 VanDerWaalsContact NE2-O 3.13Å; M640-M649 HydrophobicContact CE-CE 3.85Å; M640-M649 HydrophobicContact CE-SD 3.61Å; L643-M649 HydrophobicContact CB-SD 4.33Å; L643-M649 HydrophobicContact CD2-SD 3.71Å; L643-M649 HydrophobicContact CG-CG 4.44Å; L643-M649 HydrophobicContact CG-SD 4.07Å; H644-M649 VanDerWaalsContact CA-CG 3.47Å; H644-M649 HydrophobicContact CB-CG 3.83Å; H644-M649 HydrophobicContact CB-SD 4.41Å
650N86.7Confident94Very high118 Ų11834 Ų3463%0.63119%0.194SC*.THydrogen-bonded Turntrans-86.3-9.5179.1-65.3-19.8000112.7C648 V652C648-N650 PolarHBondContact O-N 2.78Å; N650-V652 VanDerWaalsContact C-N 3.26Å
651N89.3Confident94.1Very high55 Ų5533 Ų3329%0.29419%0.189SC..THydrogen-bonded Turntrans-77-20.8179.4-65.915.5000111.8C648 K687 H702C648-N651 WeakPolarHBondContact O-CB 3.22Å; C648-N651 PolarHBondContact O-N 3.43Å; C648-N651 VanDerWaalsContact O-N 3.08Å; N651-K687 WeakPolarHBondContact O-CD 3.41Å; N651-K687 WeakPolarHBondContact O-CE 3.5Å; N651-K687 WeakPolarHBondContact O-CG 3.38Å; N651-K687 PolarHBondContact O-NZ 2.68Å; N651-H702 WeakPolarHBondContact CB-O 3.48Å; N651-H702 PolarHBondContact ND2-O 2.63Å
652V91.6Very high94.2Very high2 Ų230.8 Ų30.81%0.01217%0.174CC..  trans-130.8140.9-177.6-61.50000110.1H480 L643 N650 P685 A697 I703H480-V652 PolarHBondContact NE2-O 3.26Å; L643-V652 HydrophobicContact CD1-CG2 4.49Å; L643-V652 HydrophobicContact CD2-CG2 3.73Å; N650-V652 VanDerWaalsContact C-N 3.26Å; V652-P685 HydrophobicContact CB-CB 4.42Å; V652-P685 HydrophobicContact CG1-CB 3.8Å; V652-A697 HydrophobicContact CG1-CB 3.76Å; V652-I703 HydrophobicContact CG1-CD1 3.65Å; V652-I703 HydrophobicContact CG1-CG1 3.85Å
653D88.3Confident94.2Very high37 Ų3731.4 Ų31.420%0.19818%0.175CC..SBendtrans-84.5-26.5-176.6-62.7-72.2000112H480 P481 V686 K687 S688 F691H480-D653 PolarHBondContact CD2-O 2.87Å; P481-D653 WeakPolarHBondContact CD-O 3.35Å; D653-V686 PolarHBondContact N-O 3.12Å; D653-K687 VanDerWaalsContact OD2-CA 3.31Å; D653-K687 WeakPolarHBondContact OD2-CA 3.48Å; D653-S688 PolarHBondContact OD2-N 2.82Å; D653-S688 VanDerWaalsContact OD2-O 3.13Å; D653-F691 HydrophobicContact CB-CE1 4.37Å; D653-F691 HydrophobicContact CB-CZ 4.39Å
654Q91.3Very high94.2Very high14 Ų1431.6 Ų31.67%0.06518%0.176CC..BIsolated β-bridgetrans-153.7144.9173.1-153.3-170.80.600110.6H480 P481 P656 V686 E737H480-Q654 HydrophobicContact CB-CG 4.34Å; P481-Q654 PolarHBondContact O-NE2 3.18Å; Q654-P656 HydrophobicContact CG-CG 4.42Å; Q654-V686 HydrophobicContact CB-CG2 3.63Å; Q654-V686 WeakPolarHBondContact O-CG2 3.48Å; Q654-V686 PolarHBondContact O-N 2.95Å; Q654-E737 PolarHBondContact NE2-OE1 3.27Å
655M94.4Very high94.2Very high2 Ų228.4 Ų28.41%0.0116%0.163CC..  trans-125.587.2171177.371.786.700109.9H480 M640 L643 V657 P685 I703 M711H480-M655 PolarHBondContact ND1-N 2.96Å; M640-M655 HydrophobicContact CE-CB 4.48Å; M640-M655 HydrophobicContact SD-CB 3.77Å; M640-M655 HydrophobicContact SD-CG 3.81Å; L643-M655 HydrophobicContact CD1-CE 4.16Å; L643-M655 HydrophobicContact CD2-CB 4.23Å; L643-M655 HydrophobicContact CD2-CE 4.09Å; M655-V657 HydrophobicContact CG-CG2 4.36Å; M655-V657 PolarHBondContact O-N 2.92Å; M655-P685 HydrophobicContact CE-CB 3.55Å; M655-P685 HydrophobicContact CE-CG 3.98Å; M655-P685 HydrophobicContact SD-CB 3.66Å; M655-P685 HydrophobicContact SD-CG 4.02Å; M655-P685 VanDerWaalsContact SD-N 3.45Å; M655-I703 HydrophobicContact CE-CD1 4.23Å; M655-M711 HydrophobicContact CE-CE 3.9Å; M655-M711 HydrophobicContact CE-SD 3.66Å
656P95.8Very high94Very high0 Ų023.7 Ų23.70%014%0.136CC..  trans-63.4127.4163.3-27.532.8000112.3Q654 V658 R684 I736Q654-P656 HydrophobicContact CG-CG 4.42Å; P656-V658 HydrophobicContact CB-CG2 4.16Å; P656-R684 HydrophobicContact CB-CB 4.23Å; P656-R684 WeakPolarHBondContact CD-O 3.21Å; P656-R684 PolarHBondContact O-N 2.8Å; P656-I736 HydrophobicContact CG-CG2 3.89Å
657V97.8Very high93.7Very high0 Ų023.5 Ų23.50%014%0.135CC..EExtended strand (participates in β ladder)trans-106.1118.6165.1-176.70000106.3R490 L632 V635 D636 V639 M655 V681 L683R490-V657 WeakPolarHBondContact CD-O 3.29Å; L632-V657 HydrophobicContact CD1-CB 4.44Å; L632-V657 HydrophobicContact CD1-CG1 3.88Å; V635-V657 HydrophobicContact CG1-CG1 3.83Å; D636-V657 HydrophobicContact CB-CB 4.26Å; V639-V657 HydrophobicContact CB-CG2 4.17Å; V639-V657 HydrophobicContact CG1-CG2 3.87Å; M655-V657 HydrophobicContact CG-CG2 4.36Å; M655-V657 PolarHBondContact O-N 2.92Å; V657-V681 HydrophobicContact CG1-CG1 3.6Å; V657-L683 HydrophobicContact CG1-CD2 4.33Å; V657-L683 HydrophobicContact CG2-CD2 4.32Å
658V97.9Very high93.4Very high0 Ų024.2 Ų24.20%013%0.129CC..EExtended strand (participates in β ladder)trans-120.3131.9-169.6178.80000109.3R490 L492 P656 I660 V681 V682 W738R490-V658 CarbonylContact O-C 3.58Å; R490-V658 WeakPolarHBondContact O-CA 3.19Å; R490-V658 VanDerWaalsContact O-CG1 3.29Å; R490-V658 WeakPolarHBondContact O-CG1 3.48Å; L492-V658 HydrophobicContact CD1-CG1 3.55Å; P656-V658 HydrophobicContact CB-CG2 4.16Å; V658-I660 HydrophobicContact CG1-CG2 4.05Å; V658-V681 CarbonylContact O-C 3.58Å; V658-V681 VanDerWaalsContact O-CA 3.25Å; V658-V681 WeakPolarHBondContact O-CA 3.21Å; V658-V682 HydrophobicContact CB-CB 4.25Å; V658-V682 PolarHBondContact N-O 2.88Å; V658-V682 PolarHBondContact O-N 2.95Å; V658-W738 HydrophobicContact CB-CB 4.39Å; V658-W738 HydrophobicContact CG1-CB 3.7Å; V658-W738 HydrophobicContact CG1-CG 4.24Å; V658-W738 HydrophobicContact CG2-CB 4Å; V658-W738 HydrophobicContact CG2-CG 4.26Å
659L98.5Very high93Very high1 Ų128.4 Ų28.41%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-93.8123.5173-164.370.9000109.7R490 I491 L492 V628 T631 L632 R679 V681 I721R490-L659 PolarHBondContact O-N 3.32Å; I491-L659 HydrophobicContact CG1-CB 4.37Å; I491-L659 HydrophobicContact CG2-CD2 4.49Å; L492-L659 PolarHBondContact N-O 3.3Å; V628-L659 HydrophobicContact CG1-CD2 3.61Å; T631-L659 HydrophobicContact CG2-CD1 4.44Å; L632-L659 HydrophobicContact CB-CB 4.29Å; L632-L659 HydrophobicContact CB-CD2 4.4Å; L632-L659 HydrophobicContact CD1-CB 4.13Å; L632-L659 HydrophobicContact CD2-CB 4.19Å; L632-L659 HydrophobicContact CG-CB 4.42Å; L659-R679 HydrophobicContact CD1-CB 3.84Å; L659-R679 HydrophobicContact CG-CB 4.07Å; L659-V681 HydrophobicContact CD1-CG2 3.91Å; L659-I721 HydrophobicContact CD1-CD1 3.78Å
660I98.3Very high92.8Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-113.2145.8179.165.6170.2000111.3L492 L556 I558 V658 I662 R679 S680 V682 L725 W738L492-I660 HydrophobicContact CD2-CG2 4.09Å; L556-I660 HydrophobicContact CD1-CD1 4.36Å; I558-I660 HydrophobicContact CD1-CB 4.2Å; I558-I660 HydrophobicContact CD1-CD1 4.44Å; I558-I660 HydrophobicContact CD1-CG2 4.31Å; V658-I660 HydrophobicContact CG1-CG2 4.05Å; I660-I662 HydrophobicContact CD1-CB 4.06Å; I660-I662 HydrophobicContact CD1-CG1 3.85Å; I660-I662 HydrophobicContact CG1-CB 4.22Å; I660-I662 HydrophobicContact CG1-CG1 4.17Å; I660-I662 PolarHBondContact O-N 2.92Å; I660-R679 WeakPolarHBondContact O-CB 3.41Å; I660-S680 WeakPolarHBondContact CG1-O 3.36Å; I660-S680 PolarHBondContact N-O 3.21Å; I660-S680 PolarHBondContact O-N 3.48Å; I660-V682 HydrophobicContact CD1-CG2 3.84Å; I660-V682 HydrophobicContact CG1-CG2 4.24Å; I660-V682 HydrophobicContact CG2-CG2 3.81Å; I660-L725 HydrophobicContact CD1-CD1 4.43Å; I660-L725 HydrophobicContact CD1-CD2 4.35Å; I660-W738 HydrophobicContact CG2-CE3 3.87Å; I660-W738 HydrophobicContact CG2-CZ3 4.01Å
661P97.7Very high92.5Very high0 Ų027.4 Ų27.40%015%0.152CC..SBendtrans-79.840.5-174.934.6-36.7000112.5L492 A494 I558 I619 T620L492-P661 WeakPolarHBondContact O-CD 3.21Å; A494-P661 HydrophobicContact CB-CB 4.29Å; A494-P661 HydrophobicContact CB-CG 3.81Å; I558-P661 HydrophobicContact CG2-CG 3.76Å; I619-P661 CarbonylContact C-O 3.47Å; I619-P661 WeakPolarHBondContact CA-O 3.27Å; I619-P661 WeakPolarHBondContact CB-O 3.43Å; T620-P661 PolarHBondContact N-O 3.42Å; T620-P661 WeakPolarHBondContact O-CB 3.44Å
662I97.8Very high92.1Very high0 Ų031.8 Ų31.80%018%0.181CC..  trans-111.4136.4-177-56.4-57.2000110.6P557 I558 V616 I619 I660 F664 R679 S680P557-I662 HydrophobicContact CG-CD1 4.22Å; I558-I662 HydrophobicContact CD1-CG1 4.28Å; I558-I662 HydrophobicContact CG2-CD1 3.82Å; I558-I662 HydrophobicContact CG2-CG1 4.48Å; V616-I662 HydrophobicContact CG1-CD1 4.16Å; V616-I662 HydrophobicContact CG1-CG2 3.66Å; V616-I662 HydrophobicContact CG2-CG2 4.31Å; I619-I662 HydrophobicContact CG2-CD1 4.01Å; I660-I662 HydrophobicContact CD1-CB 4.06Å; I660-I662 HydrophobicContact CD1-CG1 3.85Å; I660-I662 HydrophobicContact CG1-CB 4.22Å; I660-I662 HydrophobicContact CG1-CG1 4.17Å; I660-I662 PolarHBondContact O-N 2.92Å; I662-F664 HydrophobicContact CB-CE2 4.03Å; I662-F664 HydrophobicContact CB-CZ 4.44Å; I662-F664 HydrophobicContact CG2-CD1 4.38Å; I662-F664 HydrophobicContact CG2-CD2 3.7Å; I662-F664 HydrophobicContact CG2-CE1 4.06Å; I662-F664 HydrophobicContact CG2-CE2 3.32Å; I662-F664 HydrophobicContact CG2-CG 4.22Å; I662-F664 HydrophobicContact CG2-CZ 3.53Å; I662-R679 CarbonylContact O-C 3.22Å; I662-R679 VanDerWaalsContact O-C 3.22Å; I662-R679 WeakPolarHBondContact O-CA 3.21Å; I662-S680 PolarHBondContact O-N 3.02Å; I662-S680 PolarHBondContact O-OG 3.05Å
663H96.5Very high91.7Very high36 Ų3635.8 Ų35.817%0.16721%0.209CC..  trans-123.9106.9173-176.7178.3000108.1R666 S676 L678H663-R666 HydrophobicContact CB-CG 4.43Å; H663-S676 WeakPolarHBondContact CB-OG 3.13Å; H663-S676 PolarHBondContact ND1-OG 3.29Å; H663-L678 HydrophobicContact CB-CB 4.46Å
664F96Very high91.6Very high4 Ų438.3 Ų38.32%0.01822%0.222CC..  trans-79.3163.2-176.7-70.4-87.7000112.5L556 I607 V612 V616 I662 R666 S680 S722 R723 L725L556-F664 HydrophobicContact CD2-CE1 3.98Å; L556-F664 HydrophobicContact CD2-CZ 3.85Å; I607-F664 HydrophobicContact CD1-CD1 3.9Å; I607-F664 HydrophobicContact CD1-CE1 3.4Å; I607-F664 VanDerWaalsContact CD1-CE1 3.4Å; I607-F664 HydrophobicContact CD1-CZ 3.9Å; I607-F664 HydrophobicContact CG1-CE1 4.37Å; I607-F664 HydrophobicContact CG1-CZ 4.41Å; V612-F664 HydrophobicContact CG1-CD1 4.27Å; V612-F664 HydrophobicContact CG2-CD1 3.95Å; V616-F664 HydrophobicContact CG2-CD1 3.49Å; V616-F664 VanDerWaalsContact CG2-CD1 3.49Å; V616-F664 HydrophobicContact CG2-CE1 3.64Å; V616-F664 HydrophobicContact CG2-CG 4.33Å; I662-F664 HydrophobicContact CB-CE2 4.03Å; I662-F664 HydrophobicContact CB-CZ 4.44Å; I662-F664 HydrophobicContact CG2-CD1 4.38Å; I662-F664 HydrophobicContact CG2-CD2 3.7Å; I662-F664 HydrophobicContact CG2-CE1 4.06Å; I662-F664 HydrophobicContact CG2-CE2 3.32Å; I662-F664 HydrophobicContact CG2-CG 4.22Å; I662-F664 HydrophobicContact CG2-CZ 3.53Å; F664-R666 VanDerWaalsContact C-N 3.27Å; F664-R666 PolarHBondContact O-N 2.78Å; F664-S680 VanDerWaalsContact CD2-OG 3.3Å; F664-S680 WeakPolarHBondContact CD2-OG 3.43Å; F664-S680 WeakPolarHBondContact CE2-OG 3.36Å; F664-S722 PolarHBondContact N-OG 3.32Å; F664-S722 VanDerWaalsContact N-OG 3.07Å; F664-R723 HydrophobicContact CB-CG 3.71Å; F664-R723 HydrophobicContact CD2-CB 3.77Å; F664-R723 HydrophobicContact CD2-CG 3.68Å; F664-R723 HydrophobicContact CE2-CB 4.33Å; F664-R723 HydrophobicContact CG-CB 4.47Å; F664-R723 HydrophobicContact CG-CG 3.9Å; F664-L725 HydrophobicContact CE2-CD1 3.87Å; F664-L725 HydrophobicContact CE2-CD2 4.16Å; F664-L725 HydrophobicContact CZ-CD1 4.44Å; F664-L725 HydrophobicContact CZ-CD2 3.93Å
665D93.4Very high91.5Very high44 Ų4442.2 Ų42.224%0.23525%0.248CC..SBendtrans5735.7174.2-63.9-47000114.6V612 V613 R723V612-D665 WeakPolarHBondContact CA-OD1 3.42Å; V612-D665 WeakPolarHBondContact CG1-OD1 3.18Å; V613-D665 PolarHBondContact N-OD1 2.92Å; D665-R723 IonicContact OD2-CZ 2.78Å; D665-R723 IonicContact OD2-NE 2.65Å; D665-R723 PolarHBondContact OD2-NE 3.31Å; D665-R723 IonicContact OD2-NH2 3.48Å; D665-R723 PolarHBondContact OD2-NH2 3.47Å
666R92.3Very high91.4Very high27 Ų2743.1 Ų43.110%0.10226%0.255CS..  trans-82.4124.3170.5-64.8-17767.9-148.4-2.2109.9H614 D618 H663 F664 P668 V671 I674H614-R666 WeakPolarHBondContact CB-O 3.47Å; D618-R666 IonicContact OD1-NH1 3.13Å; D618-R666 PolarHBondContact OD1-NH1 2.86Å; D618-R666 IonicContact OD2-CZ 2.67Å; D618-R666 IonicContact OD2-NH1 3.64Å; D618-R666 PolarHBondContact OD2-NH1 3.03Å; D618-R666 IonicContact OD2-NH2 3.43Å; H663-R666 HydrophobicContact CB-CG 4.43Å; F664-R666 VanDerWaalsContact C-N 3.27Å; F664-R666 PolarHBondContact O-N 2.78Å; R666-P668 VanDerWaalsContact O-CD 3.25Å; R666-P668 WeakPolarHBondContact O-CD 3.46Å; R666-V671 HydrophobicContact CB-CG2 4.23Å; R666-V671 PolarHBondContact NH2-O 3.04Å; R666-I674 PolarHBondContact NH2-O 2.97Å
667D88.8Confident91.2Very high56 Ų5647.7 Ų47.730%0.29928%0.283SS..  trans-61.7117174-178.8-14.7000109.5S669 Q670 V671D667-S669 PolarHBondContact O-N 3.43Å; D667-S669 VanDerWaalsContact O-N 3.08Å; D667-S669 WeakPolarHBondContact OD1-CB 3.23Å; D667-S669 PolarHBondContact OD1-N 3.29Å; D667-S669 PolarHBondContact OD1-OG 3.3Å; D667-S669 PolarHBondContact OD2-OG 3.08Å; D667-Q670 HydrophobicContact CB-CB 4.29Å; D667-Q670 HydrophobicContact CB-CG 4.17Å; D667-Q670 PolarHBondContact O-N 3.34Å; D667-V671 WeakPolarHBondContact O-CG2 3.37Å; D667-V671 PolarHBondContact O-N 3.07Å
668P86.4Confident91.2Very high73 Ų7350.2 Ų50.247%0.47430%0.296SS..THydrogen-bonded Turntrans-54.5-29.3179.3-26.836.1000113.8H614 R666 Q670H614-P668 HydrophobicContact CB-CG 4.49Å; R666-P668 VanDerWaalsContact O-CD 3.25Å; R666-P668 WeakPolarHBondContact O-CD 3.46Å; P668-Q670 PolarHBondContact O-N 3.27Å
669S85.7Confident91.2Very high92 Ų9252.1 Ų52.164%0.64330%0.303SS*.THydrogen-bonded Turntrans-70.3-20.2177.472.90000113.2D667D667-S669 PolarHBondContact O-N 3.43Å; D667-S669 VanDerWaalsContact O-N 3.08Å; D667-S669 WeakPolarHBondContact OD1-CB 3.23Å; D667-S669 PolarHBondContact OD1-N 3.29Å; D667-S669 PolarHBondContact OD1-OG 3.3Å; D667-S669 PolarHBondContact OD2-OG 3.08Å
670Q84.3Confident91.2Very high88 Ų8852 Ų5241%0.41130%0.302SS..THydrogen-bonded Turntrans-109.3-7.2-177.2-59-176.514.600113.6D667 P668 V672 S673 I674D667-Q670 HydrophobicContact CB-CB 4.29Å; D667-Q670 HydrophobicContact CB-CG 4.17Å; D667-Q670 PolarHBondContact O-N 3.34Å; P668-Q670 PolarHBondContact O-N 3.27Å; Q670-V672 PolarHBondContact O-N 2.8Å; Q670-V672 VanDerWaalsContact O-N 3.15Å; Q670-S673 WeakPolarHBondContact CA-OG 3.38Å; Q670-S673 PolarHBondContact O-N 2.93Å; Q670-S673 PolarHBondContact O-OG 3.45Å; Q670-I674 HydrophobicContact CB-CD1 4.24Å; Q670-I674 PolarHBondContact O-N 3.17Å
671V80.8Confident91.2Very high44 Ų4452 Ų5227%0.26730%0.302SS..THydrogen-bonded Turntrans-54.6-37.3-176.71670000112.3D618 R666 D667D618-V671 WeakPolarHBondContact OD2-CG1 3.33Å; R666-V671 HydrophobicContact CB-CG2 4.23Å; R666-V671 PolarHBondContact NH2-O 3.04Å; D667-V671 WeakPolarHBondContact O-CG2 3.37Å; D667-V671 PolarHBondContact O-N 3.07Å
672V80.5Confident91.3Very high147 Ų14752 Ų5289%0.89130%0.302SS*.THydrogen-bonded Turntrans-74.6-35.2178.8-177.30000111.9Q670Q670-V672 PolarHBondContact O-N 2.8Å; Q670-V672 VanDerWaalsContact O-N 3.15Å
673S83.8Confident91.3Very high86 Ų8652 Ų5260%0.60130%0.302SS*.THydrogen-bonded Turntrans-83.3-29.9-177.451.20000114.1Q670Q670-S673 WeakPolarHBondContact CA-OG 3.38Å; Q670-S673 PolarHBondContact O-N 2.93Å; Q670-S673 PolarHBondContact O-OG 3.45Å
674I86.7Confident91.3Very high91 Ų9150.3 Ų50.347%0.46730%0.295SS..SBendtrans-120.2107-175.3-56.6177.5000108.4R666 Q670R666-I674 PolarHBondContact NH2-O 2.97Å; Q670-I674 HydrophobicContact CB-CD1 4.24Å; Q670-I674 PolarHBondContact O-N 3.17Å
675P87.7Confident91.3Very high95 Ų9550.1 Ų50.162%0.61729%0.294SS*.  trans-64.9147.5-179.927.4-34.2000111V677P675-V677 PolarHBondContact O-N 2.8Å
676S92.8Very high91.2Very high22 Ų2248.1 Ų48.115%0.15428%0.283CS..  trans-71.5128175.3-160.50000111.3T620 H663T620-S676 WeakPolarHBondContact OG1-CB 3.25Å; T620-S676 PolarHBondContact OG1-OG 2.92Å; H663-S676 WeakPolarHBondContact CB-OG 3.13Å; H663-S676 PolarHBondContact ND1-OG 3.29Å
677V92.4Very high91Very high96 Ų9650 Ų5058%0.58229%0.292SS*.  trans-126.9-15.5-179.7-63.50000114P675P675-V677 PolarHBondContact O-N 2.8Å
678L96.7Very high90.4Very high53 Ų5347.8 Ų47.828%0.27728%0.281SS..  trans-93.4161-179.8-53.6-174.4000111.6T620 H663 G720T620-L678 VanDerWaalsContact CB-O 3.31Å; T620-L678 WeakPolarHBondContact CB-O 3.48Å; T620-L678 WeakPolarHBondContact CG2-O 3.33Å; T620-L678 PolarHBondContact OG1-O 3.21Å; H663-L678 HydrophobicContact CB-CB 4.46Å; L678-G720 CarbonylContact C-O 3.59Å; L678-G720 WeakPolarHBondContact CA-O 3.43Å
679R98.1Very high89.2Confident39 Ų3946.5 Ų46.515%0.14728%0.276CS..EExtended strand (participates in β ladder)trans-131.5165.5177.4-70.4174.6-175.575.19.4109.6T620 I621 T622 L659 I660 I662 G720 I721 S722T620-R679 HydrophobicContact CG2-CG 4.21Å; I621-R679 PolarHBondContact O-NH2 3.05Å; T622-R679 PolarHBondContact OG1-NE 2.98Å; T622-R679 PolarHBondContact OG1-NH2 3.13Å; L659-R679 HydrophobicContact CD1-CB 3.84Å; L659-R679 HydrophobicContact CG-CB 4.07Å; I660-R679 WeakPolarHBondContact O-CB 3.41Å; I662-R679 CarbonylContact O-C 3.22Å; I662-R679 VanDerWaalsContact O-C 3.22Å; I662-R679 WeakPolarHBondContact O-CA 3.21Å; R679-G720 PolarHBondContact N-O 3.32Å; R679-I721 CarbonylContact O-C 3.58Å; R679-I721 VanDerWaalsContact O-CA 3.3Å; R679-I721 WeakPolarHBondContact O-CA 3.36Å; R679-S722 PolarHBondContact O-N 3.08Å
680S98.6Very high87.8Confident0 Ų042.9 Ų42.90%025%0.25CC..EExtended strand (participates in β ladder)trans-114.3158.9176.9-82.40000111I660 I662 F664 R723I660-S680 WeakPolarHBondContact CG1-O 3.36Å; I660-S680 PolarHBondContact N-O 3.21Å; I660-S680 PolarHBondContact O-N 3.48Å; I662-S680 PolarHBondContact O-N 3.02Å; I662-S680 PolarHBondContact O-OG 3.05Å; F664-S680 VanDerWaalsContact CD2-OG 3.3Å; F664-S680 WeakPolarHBondContact CD2-OG 3.43Å; F664-S680 WeakPolarHBondContact CE2-OG 3.36Å; S680-R723 VanDerWaalsContact CA-O 3.26Å; S680-R723 WeakPolarHBondContact CA-O 3.27Å; S680-R723 VanDerWaalsContact CB-O 3.27Å; S680-R723 WeakPolarHBondContact CB-O 3.41Å; S680-R723 PolarHBondContact OG-N 3.41Å; S680-R723 PolarHBondContact OG-O 3.2Å
681V98.7Very high86.4Confident0 Ų042.3 Ų42.30%025%0.246CC..EExtended strand (participates in β ladder)trans-114.9136.6180172.80000108.7V635 V657 V658 L659 L683 I721 R723 V724 L725V635-V681 HydrophobicContact CG1-CB 4.44Å; V635-V681 HydrophobicContact CG1-CG1 3.89Å; V635-V681 HydrophobicContact CG1-CG2 3.91Å; V635-V681 HydrophobicContact CG2-CG2 4.24Å; V657-V681 HydrophobicContact CG1-CG1 3.6Å; V658-V681 CarbonylContact O-C 3.58Å; V658-V681 VanDerWaalsContact O-CA 3.25Å; V658-V681 WeakPolarHBondContact O-CA 3.21Å; L659-V681 HydrophobicContact CD1-CG2 3.91Å; V681-L683 HydrophobicContact CG1-CD2 3.98Å; V681-I721 HydrophobicContact CG2-CD1 3.55Å; V681-I721 HydrophobicContact CG2-CG1 4.13Å; V681-I721 HydrophobicContact CG2-CG2 4.18Å; V681-R723 PolarHBondContact N-O 3.2Å; V681-V724 CarbonylContact O-C 3.56Å; V681-V724 WeakPolarHBondContact O-CA 3.48Å; V681-L725 PolarHBondContact O-N 2.78Å
682V98.6Very high85.3Confident0 Ų043.1 Ų43.10%025%0.248CC..EExtended strand (participates in β ladder)trans-109.6123.7170.9-173.70000108.6V605 V658 I660 L725 D727 W738V605-V682 HydrophobicContact CG1-CG1 4.2Å; V658-V682 HydrophobicContact CB-CB 4.25Å; V658-V682 PolarHBondContact N-O 2.88Å; V658-V682 PolarHBondContact O-N 2.95Å; I660-V682 HydrophobicContact CD1-CG2 3.84Å; I660-V682 HydrophobicContact CG1-CG2 4.24Å; I660-V682 HydrophobicContact CG2-CG2 3.81Å; V682-L725 CarbonylContact C-O 3.49Å; V682-L725 WeakPolarHBondContact CA-O 3.41Å; V682-L725 HydrophobicContact CG2-CB 4.19Å; V682-D727 HydrophobicContact CG1-CB 3.88Å; V682-W738 HydrophobicContact CG1-CD2 4.39Å; V682-W738 HydrophobicContact CG1-CH2 4.09Å; V682-W738 HydrophobicContact CG1-CZ2 3.76Å; V682-W738 HydrophobicContact CG2-CE3 4.03Å; V682-W738 HydrophobicContact CG2-CH2 3.88Å; V682-W738 HydrophobicContact CG2-CZ2 4.37Å; V682-W738 HydrophobicContact CG2-CZ3 3.69Å
683L98.4Very high84.3Confident0 Ų038.3 Ų38.30%022%0.219CC..EExtended strand (participates in β ladder)trans-90.5123.5169.7-52.7-175.2000108.2V639 V657 V681 M711 V724 L725 Y726 D727V639-L683 HydrophobicContact CG1-CD2 3.92Å; V639-L683 HydrophobicContact CG2-CD2 3.99Å; V657-L683 HydrophobicContact CG1-CD2 4.33Å; V657-L683 HydrophobicContact CG2-CD2 4.32Å; V681-L683 HydrophobicContact CG1-CD2 3.98Å; L683-M711 HydrophobicContact CD1-CB 3.95Å; L683-V724 HydrophobicContact CD1-CG1 3.73Å; L683-V724 HydrophobicContact CD2-CG1 4.3Å; L683-V724 HydrophobicContact CG-CG1 3.68Å; L683-L725 PolarHBondContact N-O 2.88Å; L683-Y726 HydrophobicContact CB-CD2 4.33Å; L683-D727 PolarHBondContact O-N 2.65Å
684R96.5Very high83.9Confident0 Ų034.4 Ų34.40%019%0.191CC..  trans-126.772.8-179.1-175.2175167.562.59.3111R603 P656 V686 D727 T729 I736R603-R684 VanDerWaalsContact NH1-NH2 3.15Å; P656-R684 HydrophobicContact CB-CB 4.23Å; P656-R684 WeakPolarHBondContact CD-O 3.21Å; P656-R684 PolarHBondContact O-N 2.8Å; R684-V686 HydrophobicContact CG-CG1 4.14Å; R684-V686 PolarHBondContact O-N 3.22Å; R684-D727 HydrophobicContact CB-CB 4.11Å; R684-D727 VanDerWaalsContact CD-OD2 3.28Å; R684-D727 WeakPolarHBondContact CD-OD2 3.37Å; R684-D727 HydrophobicContact CG-CB 4.04Å; R684-D727 IonicContact CZ-OD2 2.63Å; R684-D727 IonicContact NE-OD2 3.43Å; R684-D727 IonicContact NH1-OD1 3.85Å; R684-D727 IonicContact NH1-OD2 3.78Å; R684-D727 PolarHBondContact NH1-OD2 3.15Å; R684-T729 PolarHBondContact NH1-O 2.86Å; R684-T729 PolarHBondContact NH2-O 2.86Å; R684-I736 WeakPolarHBondContact CD-O 3.21Å; R684-I736 PolarHBondContact NE-O 3.37Å
685P95.4Very high83.9Confident0 Ų033.9 Ų33.90%019%0.189CC..  trans-69.5129.9171.425.4-28.1000110.2V652 M655 A697 I703 Y726V652-P685 HydrophobicContact CB-CB 4.42Å; V652-P685 HydrophobicContact CG1-CB 3.8Å; M655-P685 HydrophobicContact CE-CB 3.55Å; M655-P685 HydrophobicContact CE-CG 3.98Å; M655-P685 HydrophobicContact SD-CB 3.66Å; M655-P685 HydrophobicContact SD-CG 4.02Å; M655-P685 VanDerWaalsContact SD-N 3.45Å; P685-A697 HydrophobicContact CB-CB 3.73Å; P685-A697 HydrophobicContact CG-CB 4.03Å; P685-A697 PolarHBondContact O-N 3.07Å; P685-I703 HydrophobicContact CB-CD1 3.64Å; P685-I703 HydrophobicContact CG-CD1 3.8Å; P685-Y726 HydrophobicContact CG-CE1 3.98Å; P685-Y726 HydrophobicContact CG-CE2 3.79Å; P685-Y726 WeakPolarHBondContact CG-OH 3.35Å
686V92.4Very high84.1Confident2 Ų229.6 Ų29.61%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-118.7144.1174.7-63.70000110.6D653 Q654 R684 C694 I695 I736D653-V686 PolarHBondContact N-O 3.12Å; Q654-V686 HydrophobicContact CB-CG2 3.63Å; Q654-V686 WeakPolarHBondContact O-CG2 3.48Å; Q654-V686 PolarHBondContact O-N 2.95Å; R684-V686 HydrophobicContact CG-CG1 4.14Å; R684-V686 PolarHBondContact O-N 3.22Å; V686-C694 HydrophobicContact CB-CB 4.49Å; V686-I695 WeakPolarHBondContact CA-O 3.48Å; V686-I736 HydrophobicContact CG1-CG2 3.99Å; V686-I736 HydrophobicContact CG2-CD1 4.36Å; V686-I736 HydrophobicContact CG2-CG2 3.93Å
687K87.3Confident84.1Confident67 Ų6728.6 Ų28.629%0.29115%0.154SC..EExtended strand (participates in β ladder)trans-107.8141.2162.4-65.6-157.372.6160.50109.4N651 D653 C694 I695 A697 H702N651-K687 WeakPolarHBondContact O-CD 3.41Å; N651-K687 WeakPolarHBondContact O-CE 3.5Å; N651-K687 WeakPolarHBondContact O-CG 3.38Å; N651-K687 PolarHBondContact O-NZ 2.68Å; D653-K687 VanDerWaalsContact OD2-CA 3.31Å; D653-K687 WeakPolarHBondContact OD2-CA 3.48Å; K687-C694 CarbonylContact O-C 3.53Å; K687-C694 WeakPolarHBondContact O-CA 3.41Å; K687-I695 HydrophobicContact CB-CD1 4.31Å; K687-I695 HydrophobicContact CB-CG1 3.84Å; K687-I695 PolarHBondContact N-O 2.82Å; K687-I695 PolarHBondContact O-N 3.35Å; K687-A697 HydrophobicContact CG-CB 4.15Å; K687-H702 HydrophobicContact CD-CB 4.11Å; K687-H702 WeakPolarHBondContact CD-CD2 3.31Å
688S76.7Confident84.2Confident8 Ų825.1 Ų25.16%0.05613%0.133CC..EExtended strand (participates in β ladder)trans-141.5125.6171.8-164.40000109D653 D690 F691 T693 C694D653-S688 PolarHBondContact OD2-N 2.82Å; D653-S688 VanDerWaalsContact OD2-O 3.13Å; S688-D690 VanDerWaalsContact C-N 3.34Å; S688-F691 WeakPolarHBondContact OG-CA 3.09Å; S688-F691 PolarHBondContact OG-N 3.18Å; S688-T693 WeakPolarHBondContact CA-O 3.22Å; S688-T693 WeakPolarHBondContact CB-O 3.45Å; S688-T693 PolarHBondContact OG-O 2.8Å; S688-C694 PolarHBondContact OG-SG 3.42Å; S688-C694 VanDerWaalsContact OG-SG 3.41Å
689A61.7Low84.2Confident47 Ų4722.7 Ų22.739%0.38812%0.121SC..SBendtrans-75.5-31.2177.500000111.1R19 D170R19-A689 PolarHBondContact NH1-O 3.31Å; D170-A689 HydrophobicContact CB-CB 3.72Å; D170-A689 WeakPolarHBondContact OD2-CB 3.43Å
690D55.7Low84Confident16 Ų1623.3 Ų23.39%0.08614%0.139CC..SBendtrans-136.33.7-169.159.9-0.3000115.1V16 S688 M692 T693V16-D690 HydrophobicContact CG2-CB 4.12Å; S688-D690 VanDerWaalsContact C-N 3.34Å; D690-M692 PolarHBondContact O-N 3.36Å; D690-M692 WeakPolarHBondContact OD1-CA 3.08Å; D690-M692 WeakPolarHBondContact OD1-CB 3.46Å; D690-M692 PolarHBondContact OD1-N 2.92Å; D690-T693 PolarHBondContact OD1-N 3.49Å; D690-T693 PolarHBondContact OD1-OG1 3.3Å
691F56Low83.7Confident76 Ų7628.5 Ų28.533%0.33317%0.171SC..SBendtrans54.125.9-168.6-62.5-83.5000113.6P481 D653 S688 P733P481-F691 HydrophobicContact CG-CE1 4.35Å; D653-F691 HydrophobicContact CB-CE1 4.37Å; D653-F691 HydrophobicContact CB-CZ 4.39Å; S688-F691 WeakPolarHBondContact OG-CA 3.09Å; S688-F691 PolarHBondContact OG-N 3.18Å; F691-P733 WeakPolarHBondContact O-CB 3.27Å; F691-P733 WeakPolarHBondContact O-CG 3.38Å
692M56Low83.5Confident61 Ų6130.6 Ų30.630%0.318%0.18SC..SBendtrans-117.6-35.8172.4-61-62.5-57.600111.2Q12 Y13 V16 D690 P733Q12-M692 VanDerWaalsContact O-CE 3.23Å; Q12-M692 WeakPolarHBondContact O-CE 3.25Å; Y13-M692 HydrophobicContact CD1-CB 4.39Å; Y13-M692 HydrophobicContact CE1-CB 4.36Å; V16-M692 HydrophobicContact CG2-CG 4.41Å; D690-M692 PolarHBondContact O-N 3.36Å; D690-M692 WeakPolarHBondContact OD1-CA 3.08Å; D690-M692 WeakPolarHBondContact OD1-CB 3.46Å; D690-M692 PolarHBondContact OD1-N 2.92Å; M692-P733 WeakPolarHBondContact O-CD 3.47Å; M692-P733 WeakPolarHBondContact O-CG 3.38Å
693T60.5Low83.3Confident45 Ų4530.7 Ų30.728%0.27618%0.181SC..SBendtrans-116.9124.2170.7570000109.7Y13 S688 D690Y13-T693 HydrophobicContact CE1-CG2 4.28Å; S688-T693 WeakPolarHBondContact CA-O 3.22Å; S688-T693 WeakPolarHBondContact CB-O 3.45Å; S688-T693 PolarHBondContact OG-O 2.8Å; D690-T693 PolarHBondContact OD1-N 3.49Å; D690-T693 PolarHBondContact OD1-OG1 3.3Å
694C74.3Confident83.2Confident5 Ų533.2 Ų33.23%0.03420%0.197CC..EExtended strand (participates in β ladder)trans-118.1117.9177.1-51.50000110.4V686 K687 S688 S730 K731 I736V686-C694 HydrophobicContact CB-CB 4.49Å; K687-C694 CarbonylContact O-C 3.53Å; K687-C694 WeakPolarHBondContact O-CA 3.41Å; S688-C694 PolarHBondContact OG-SG 3.42Å; S688-C694 VanDerWaalsContact OG-SG 3.41Å; C694-S730 WeakPolarHBondContact O-CB 3.41Å; C694-K731 VanDerWaalsContact CB-O 3.29Å; C694-K731 WeakPolarHBondContact CB-O 3.47Å; C694-K731 PolarHBondContact O-N 3.35Å; C694-K731 VanDerWaalsContact O-N 3.17Å; C694-K731 VanDerWaalsContact O-O 3.11Å; C694-I736 HydrophobicContact CB-CD1 4.24Å; C694-I736 HydrophobicContact CB-CG1 4.16Å; C694-I736 VanDerWaalsContact SG-CD1 3.54Å
695I87.1Confident83.2Confident79 Ų7936.9 Ų36.941%0.40522%0.215SC..EExtended strand (participates in β ladder)trans-96.4146.1173.863.3174.4000109.3V686 K687 A697 S730V686-I695 WeakPolarHBondContact CA-O 3.48Å; K687-I695 HydrophobicContact CB-CD1 4.31Å; K687-I695 HydrophobicContact CB-CG1 3.84Å; K687-I695 PolarHBondContact N-O 2.82Å; K687-I695 PolarHBondContact O-N 3.35Å; I695-A697 PolarHBondContact O-N 3.46Å; I695-S730 WeakPolarHBondContact CA-OG 3.37Å
696A91.6Very high83.3Confident6 Ų640.7 Ų40.75%0.0524%0.235CC..EExtended strand (participates in β ladder)trans-64.9133.4168.100000109.4V698 L728A696-V698 PolarHBondContact O-N 3.05Å; A696-L728 VanDerWaalsContact CB-C 3.48Å
697A93.8Very high83.5Confident0 Ų040.7 Ų40.70%024%0.235CC..  trans-73113.8175.400000108.8V652 P685 K687 I695 H702 I703 Y726V652-A697 HydrophobicContact CG1-CB 3.76Å; P685-A697 HydrophobicContact CB-CB 3.73Å; P685-A697 HydrophobicContact CG-CB 4.03Å; P685-A697 PolarHBondContact O-N 3.07Å; K687-A697 HydrophobicContact CG-CB 4.15Å; I695-A697 PolarHBondContact O-N 3.46Å; A697-H702 HydrophobicContact CB-CB 3.96Å; A697-I703 HydrophobicContact CB-CD1 4.23Å; A697-I703 HydrophobicContact CB-CG1 4.38Å; A697-Y726 WeakPolarHBondContact O-CE1 3.41Å; A697-Y726 PolarHBondContact O-OH 3Å
698V94.5Very high84Confident23 Ų2337.5 Ų37.514%0.13922%0.221CC..  trans-79.1128.2179.6-172.10000110.9W584 S588 A696 V701 H702W584-V698 HydrophobicContact CB-CG1 3.71Å; S588-V698 WeakPolarHBondContact OG-CG2 3.43Å; A696-V698 PolarHBondContact O-N 3.05Å; V698-V701 HydrophobicContact CB-CB 4.24Å; V698-V701 HydrophobicContact CB-CG2 4.25Å; V698-V701 HydrophobicContact CG1-CG2 4.19Å; V698-V701 PolarHBondContact O-N 2.54Å; V698-H702 PolarHBondContact N-ND1 3.49Å; V698-H702 PolarHBondContact O-N 3.3Å
699P96.3Very high85Confident2 Ų241.1 Ų41.11%0.01323%0.234CC..BIsolated β-bridgetrans-59.7147.8171.6-23.735.7000112.2W584 V701 I703 E705 V708 Y726W584-P699 HydrophobicContact CD2-CB 3.68Å; W584-P699 HydrophobicContact CD2-CG 3.58Å; W584-P699 HydrophobicContact CE3-CB 4.28Å; W584-P699 HydrophobicContact CE3-CG 3.64Å; W584-P699 HydrophobicContact CG-CB 3.88Å; W584-P699 HydrophobicContact CG-CG 4.19Å; W584-P699 HydrophobicContact CH2-CG 3.89Å; W584-P699 HydrophobicContact CZ2-CB 4Å; W584-P699 HydrophobicContact CZ2-CG 3.84Å; W584-P699 HydrophobicContact CZ3-CG 3.8Å; P699-V701 PolarHBondContact O-N 2.93Å; P699-V701 VanDerWaalsContact O-N 3.11Å; P699-I703 CarbonylContact C-O 3.44Å; P699-I703 WeakPolarHBondContact CA-O 3.31Å; P699-E705 HydrophobicContact CB-CG 4.15Å; P699-V708 HydrophobicContact CB-CG2 3.98Å; P699-V708 HydrophobicContact CG-CG2 3.97Å; P699-Y726 HydrophobicContact CG-CD1 4.45Å; P699-Y726 HydrophobicContact CG-CE1 3.83Å; P699-Y726 HydrophobicContact CG-CE2 3.92Å; P699-Y726 VanDerWaalsContact CG-CZ 3.49Å; P699-Y726 WeakPolarHBondContact CG-OH 3.19Å
700G93.8Very high86.8Confident52 Ų5243.1 Ų43.154%0.53623%0.234SC..THydrogen-bonded Turntrans77-21-173.400000114.4I703G700-I703 PolarHBondContact N-O 3Å
701V92.3Very high88.8Confident109 Ų10942.4 Ų42.466%0.66123%0.23SC*.THydrogen-bonded Turntrans-102.1-53.6176.5-177.40000111.2V698 P699V698-V701 HydrophobicContact CB-CB 4.24Å; V698-V701 HydrophobicContact CB-CG2 4.25Å; V698-V701 HydrophobicContact CG1-CG2 4.19Å; V698-V701 PolarHBondContact O-N 2.54Å; P699-V701 PolarHBondContact O-N 2.93Å; P699-V701 VanDerWaalsContact O-N 3.11Å
702H93.7Very high90.8Very high45 Ų4539.8 Ų39.821%0.20822%0.219CC..THydrogen-bonded Turntrans-107-37.1-173.7-56.3101.7000112.4N651 K687 A697 V698N651-H702 WeakPolarHBondContact CB-O 3.48Å; N651-H702 PolarHBondContact ND2-O 2.63Å; K687-H702 HydrophobicContact CD-CB 4.11Å; K687-H702 WeakPolarHBondContact CD-CD2 3.31Å; A697-H702 HydrophobicContact CB-CB 3.96Å; V698-H702 PolarHBondContact N-ND1 3.49Å; V698-H702 PolarHBondContact O-N 3.3Å
703I95.2Very high92.9Very high1 Ų143.2 Ų43.21%0.00523%0.232CC..BIsolated β-bridgetrans-123.2130.4177.5-51.6177.2000107V652 M655 P685 A697 P699 G700 E705 V707 V708V652-I703 HydrophobicContact CG1-CD1 3.65Å; V652-I703 HydrophobicContact CG1-CG1 3.85Å; M655-I703 HydrophobicContact CE-CD1 4.23Å; P685-I703 HydrophobicContact CB-CD1 3.64Å; P685-I703 HydrophobicContact CG-CD1 3.8Å; A697-I703 HydrophobicContact CB-CD1 4.23Å; A697-I703 HydrophobicContact CB-CG1 4.38Å; P699-I703 CarbonylContact C-O 3.44Å; P699-I703 WeakPolarHBondContact CA-O 3.31Å; G700-I703 PolarHBondContact N-O 3Å; I703-E705 PolarHBondContact O-N 2.59Å; I703-V707 HydrophobicContact CG2-CB 4.02Å; I703-V707 HydrophobicContact CG2-CG1 4.01Å; I703-V708 HydrophobicContact CB-CG2 4.37Å; I703-V708 HydrophobicContact CG2-CG2 4.01Å
704P96.8Very high94.7Very high54 Ų5441.6 Ų41.635%0.35122%0.223SC..  trans-54.6137.6172.8-25.235.1000111.6D706 V707 V708P704-D706 VanDerWaalsContact C-N 3.25Å; P704-D706 WeakPolarHBondContact CB-OD1 3.38Å; P704-D706 PolarHBondContact O-N 2.86Å; P704-V707 HydrophobicContact CB-CB 4.47Å; P704-V707 HydrophobicContact CB-CG2 4Å; P704-V707 HydrophobicContact CG-CG2 4.23Å; P704-V707 WeakPolarHBondContact O-CB 3.37Å; P704-V707 PolarHBondContact O-N 3.05Å; P704-V707 VanDerWaalsContact O-N 3.08Å; P704-V708 PolarHBondContact O-N 3.33Å
705E96.3Very high95.8Very high77 Ų7741.3 Ų41.336%0.3622%0.222SC..Hα-helixtrans-60.4-36.4-177.6-65.7-170.4-155.200112.4W584 P699 I703 V707 V708 Y709W584-E705 PolarHBondContact NE1-OE2 2.81Å; P699-E705 HydrophobicContact CB-CG 4.15Å; I703-E705 PolarHBondContact O-N 2.59Å; E705-V707 PolarHBondContact O-N 2.72Å; E705-V708 WeakPolarHBondContact O-CA 3.09Å; E705-V708 WeakPolarHBondContact O-CB 3.35Å; E705-V708 PolarHBondContact O-N 3.03Å; E705-Y709 HydrophobicContact CB-CE2 3.96Å; E705-Y709 WeakPolarHBondContact O-CD2 3.42Å; E705-Y709 PolarHBondContact O-N 3.41Å
706D97Very high96.3Very high79 Ų7941.3 Ų41.342%0.42222%0.22SC..Hα-helixtrans-61.1-34.2177.574-69.5000112.2P704 Y709 K710P704-D706 VanDerWaalsContact C-N 3.25Å; P704-D706 WeakPolarHBondContact CB-OD1 3.38Å; P704-D706 PolarHBondContact O-N 2.86Å; D706-Y709 PolarHBondContact O-N 3.3Å; D706-K710 VanDerWaalsContact O-CG 3.27Å; D706-K710 WeakPolarHBondContact O-CG 3.3Å; D706-K710 PolarHBondContact O-N 3.07Å; D706-K710 IonicContact OD2-NZ 3.63Å; D706-K710 PolarHBondContact OD2-NZ 3.27Å
707V97.8Very high96.6Very high3 Ų346.2 Ų46.22%0.01824%0.242CC..Hα-helixtrans-68.5-37.7175.6178.30000110.4V642 N646 I703 P704 E705 K710 M711V642-V707 HydrophobicContact CG1-CG1 4.21Å; N646-V707 HydrophobicContact CB-CG1 4.26Å; N646-V707 HydrophobicContact CB-CG2 3.67Å; I703-V707 HydrophobicContact CG2-CB 4.02Å; I703-V707 HydrophobicContact CG2-CG1 4.01Å; P704-V707 HydrophobicContact CB-CB 4.47Å; P704-V707 HydrophobicContact CB-CG2 4Å; P704-V707 HydrophobicContact CG-CG2 4.23Å; P704-V707 WeakPolarHBondContact O-CB 3.37Å; P704-V707 PolarHBondContact O-N 3.05Å; P704-V707 VanDerWaalsContact O-N 3.08Å; E705-V707 PolarHBondContact O-N 2.72Å; V707-K710 PolarHBondContact O-N 3.29Å; V707-M711 WeakPolarHBondContact O-CG 3.48Å; V707-M711 PolarHBondContact O-N 2.89Å
708V97.8Very high96.8Very high0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-63.1-44.5174.4-179.50000111.5L608 P699 I703 P704 E705 K710 M711 Q712 Y726L608-V708 HydrophobicContact CD1-CG1 4.3Å; P699-V708 HydrophobicContact CB-CG2 3.98Å; P699-V708 HydrophobicContact CG-CG2 3.97Å; I703-V708 HydrophobicContact CB-CG2 4.37Å; I703-V708 HydrophobicContact CG2-CG2 4.01Å; P704-V708 PolarHBondContact O-N 3.33Å; E705-V708 WeakPolarHBondContact O-CA 3.09Å; E705-V708 WeakPolarHBondContact O-CB 3.35Å; E705-V708 PolarHBondContact O-N 3.03Å; V708-K710 VanDerWaalsContact C-N 3.35Å; V708-K710 PolarHBondContact O-N 2.69Å; V708-M711 HydrophobicContact CB-CE 4.27Å; V708-M711 HydrophobicContact CG2-CE 3.95Å; V708-M711 WeakPolarHBondContact O-CB 3.33Å; V708-M711 PolarHBondContact O-N 2.9Å; V708-Q712 PolarHBondContact O-N 3.33Å; V708-Y726 HydrophobicContact CG1-CD2 3.72Å; V708-Y726 HydrophobicContact CG1-CE2 3.77Å; V708-Y726 HydrophobicContact CG2-CE2 3.95Å
709Y97.8Very high97Very high84 Ų8450.8 Ų50.833%0.32927%0.271SS..Hα-helixtrans-67.2-33.8176-59.7-53.5000112.8P582 E705 D706 Q712 K713P582-Y709 WeakPolarHBondContact CG-OH 3.26Å; E705-Y709 HydrophobicContact CB-CE2 3.96Å; E705-Y709 WeakPolarHBondContact O-CD2 3.42Å; E705-Y709 PolarHBondContact O-N 3.41Å; D706-Y709 PolarHBondContact O-N 3.3Å; Y709-Q712 WeakPolarHBondContact O-CB 3.43Å; Y709-Q712 PolarHBondContact O-N 3.13Å; Y709-K713 PolarHBondContact O-N 2.93Å
710K98.4Very high96.9Very high89 Ų8952 Ų5239%0.38729%0.285SS..Hα-helixtrans-63.9-41.8170.9-73.2165.2-177.9157.10111.6V642 N646 D706 V707 V708 K713 A714V642-K710 HydrophobicContact CG1-CB 3.55Å; N646-K710 PolarHBondContact OD1-NZ 3.41Å; D706-K710 VanDerWaalsContact O-CG 3.27Å; D706-K710 WeakPolarHBondContact O-CG 3.3Å; D706-K710 PolarHBondContact O-N 3.07Å; D706-K710 IonicContact OD2-NZ 3.63Å; D706-K710 PolarHBondContact OD2-NZ 3.27Å; V707-K710 PolarHBondContact O-N 3.29Å; V708-K710 VanDerWaalsContact C-N 3.35Å; V708-K710 PolarHBondContact O-N 2.69Å; K710-K713 PolarHBondContact O-N 3.33Å; K710-A714 WeakPolarHBondContact O-CB 3.36Å; K710-A714 PolarHBondContact O-N 3.37Å
711M98.4Very high97.2Very high0 Ų050.5 Ų50.50%026%0.264CS..Hα-helixtrans-63.8-43.2176.2-72.2-173.4-6300111.4V639 V642 L643 M655 L683 V707 V708 A714 A715V639-M711 HydrophobicContact CG1-CB 4.28Å; V639-M711 HydrophobicContact CG1-CG 4.08Å; V639-M711 HydrophobicContact CG1-SD 3.82Å; V642-M711 HydrophobicContact CB-CG 3.93Å; V642-M711 HydrophobicContact CG1-CG 3.63Å; L643-M711 HydrophobicContact CB-SD 4.44Å; L643-M711 HydrophobicContact CD1-SD 4.31Å; M655-M711 HydrophobicContact CE-CE 3.9Å; M655-M711 HydrophobicContact CE-SD 3.66Å; L683-M711 HydrophobicContact CD1-CB 3.95Å; V707-M711 WeakPolarHBondContact O-CG 3.48Å; V707-M711 PolarHBondContact O-N 2.89Å; V708-M711 HydrophobicContact CB-CE 4.27Å; V708-M711 HydrophobicContact CG2-CE 3.95Å; V708-M711 WeakPolarHBondContact O-CB 3.33Å; V708-M711 PolarHBondContact O-N 2.9Å; M711-A714 PolarHBondContact O-N 3.2Å; M711-A715 WeakPolarHBondContact O-CB 3.37Å; M711-A715 PolarHBondContact O-N 3.07Å
712Q98.2Very high97.4Very high22 Ų2245.8 Ų45.810%0.10324%0.236CC..Hα-helixtrans-53.4-56.8173.3175.8-172-1.200110.8L608 V708 Y709 A714 A715 E716 V724L608-Q712 HydrophobicContact CB-CG 4.09Å; L608-Q712 HydrophobicContact CD1-CB 3.91Å; L608-Q712 HydrophobicContact CD1-CG 4.16Å; V708-Q712 PolarHBondContact O-N 3.33Å; Y709-Q712 WeakPolarHBondContact O-CB 3.43Å; Y709-Q712 PolarHBondContact O-N 3.13Å; Q712-A714 VanDerWaalsContact C-N 3.3Å; Q712-A714 PolarHBondContact O-N 3.03Å; Q712-A715 PolarHBondContact O-N 3.24Å; Q712-A715 VanDerWaalsContact O-N 3.13Å; Q712-E716 HydrophobicContact CG-CG 4.35Å; Q712-E716 WeakPolarHBondContact CG-OE1 3.22Å; Q712-E716 PolarHBondContact NE2-OE1 2.8Å; Q712-E716 WeakPolarHBondContact O-CG 3.27Å; Q712-E716 PolarHBondContact O-N 3.36Å; Q712-V724 HydrophobicContact CG-CB 4.16Å; Q712-V724 HydrophobicContact CG-CG2 4.3Å
713K98.3Very high97.6Very high132 Ų13246.7 Ų46.757%0.57424%0.238SC*.Hα-helixtrans-57.7-44.5-178.1-176179.8176-177.80111.7Y709 K710 A715 E716 E717Y709-K713 PolarHBondContact O-N 2.93Å; K710-K713 PolarHBondContact O-N 3.33Å; K713-A715 VanDerWaalsContact C-N 3.29Å; K713-A715 PolarHBondContact O-N 2.67Å; K713-E716 PolarHBondContact O-N 3.48Å; K713-E717 WeakPolarHBondContact CE-OE1 3.3Å; K713-E717 WeakPolarHBondContact O-CG 3.47Å; K713-E717 PolarHBondContact O-N 2.86Å
714A98.4Very high97.8Very high11 Ų1146.7 Ų46.79%0.09124%0.237CC..Hα-helixtrans-62.4-35.9179.900000112.7K638 V642 K710 M711 Q712K638-A714 HydrophobicContact CB-CB 4.17Å; K638-A714 WeakPolarHBondContact CD-O 3.34Å; V642-A714 HydrophobicContact CG2-CB 3.84Å; K710-A714 WeakPolarHBondContact O-CB 3.36Å; K710-A714 PolarHBondContact O-N 3.37Å; M711-A714 PolarHBondContact O-N 3.2Å; Q712-A714 VanDerWaalsContact C-N 3.3Å; Q712-A714 PolarHBondContact O-N 3.03Å
715A98.4Very high97.8Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-73.1-41.6174.700000112.6V635 V639 M711 Q712 K713 E717 V718 V724V635-A715 HydrophobicContact CG1-CB 3.61Å; V639-A715 HydrophobicContact CG2-CB 3.97Å; M711-A715 WeakPolarHBondContact O-CB 3.37Å; M711-A715 PolarHBondContact O-N 3.07Å; Q712-A715 PolarHBondContact O-N 3.24Å; Q712-A715 VanDerWaalsContact O-N 3.13Å; K713-A715 VanDerWaalsContact C-N 3.29Å; K713-A715 PolarHBondContact O-N 2.67Å; A715-E717 VanDerWaalsContact C-N 3.26Å; A715-E717 PolarHBondContact O-N 3.43Å; A715-V718 WeakPolarHBondContact O-CB 3.5Å; A715-V718 PolarHBondContact O-N 3.03Å; A715-V718 VanDerWaalsContact O-N 3.12Å; A715-V724 HydrophobicContact CB-CG2 3.62Å
716E97.9Very high97.9Very high78 Ų7840.4 Ų40.436%0.36420%0.204SC..Hα-helixtrans-66.3-25.3178-71174.7172.100113.1Q712 K713 V718 V724Q712-E716 HydrophobicContact CG-CG 4.35Å; Q712-E716 WeakPolarHBondContact CG-OE1 3.22Å; Q712-E716 PolarHBondContact NE2-OE1 2.8Å; Q712-E716 WeakPolarHBondContact O-CG 3.27Å; Q712-E716 PolarHBondContact O-N 3.36Å; K713-E716 PolarHBondContact O-N 3.48Å; E716-V718 PolarHBondContact O-N 3.45Å; E716-V724 HydrophobicContact CG-CG2 3.74Å
717E97.8Very high98Very high110 Ų11036.7 Ų36.751%0.51418%0.184SC..THydrogen-bonded Turntrans-67.2-13.2172.7-77171.9-170.300113.6K638 K713 A715K638-E717 IonicContact NZ-OE2 2.74Å; K713-E717 WeakPolarHBondContact CE-OE1 3.3Å; K713-E717 WeakPolarHBondContact O-CG 3.47Å; K713-E717 PolarHBondContact O-N 2.86Å; A715-E717 VanDerWaalsContact C-N 3.26Å; A715-E717 PolarHBondContact O-N 3.43Å
718V98.2Very high97.9Very high7 Ų736.8 Ų36.84%0.04218%0.184CC..SBendtrans-84.1124.5177.5-175.90000109.8T631 E634 V635 K638 A715 E716 G720 I721T631-V718 HydrophobicContact CG2-CG1 4.2Å; E634-V718 HydrophobicContact CB-CG1 4.07Å; E634-V718 HydrophobicContact CB-CG2 4.31Å; E634-V718 HydrophobicContact CG-CG1 4.03Å; E634-V718 HydrophobicContact CG-CG2 3.77Å; V635-V718 HydrophobicContact CB-CG2 4.46Å; V635-V718 HydrophobicContact CG2-CB 3.66Å; V635-V718 HydrophobicContact CG2-CG1 3.87Å; V635-V718 HydrophobicContact CG2-CG2 3.63Å; K638-V718 HydrophobicContact CD-CG2 3.78Å; A715-V718 WeakPolarHBondContact O-CB 3.5Å; A715-V718 PolarHBondContact O-N 3.03Å; A715-V718 VanDerWaalsContact O-N 3.12Å; E716-V718 PolarHBondContact O-N 3.45Å; V718-G720 PolarHBondContact O-N 2.94Å; V718-I721 HydrophobicContact CB-CG1 4.16Å; V718-I721 WeakPolarHBondContact O-CG1 3.36Å; V718-I721 PolarHBondContact O-N 2.93Å
719P97.2Very high97.6Very high111 Ų11137.1 Ų37.172%0.72119%0.186SC*.THydrogen-bonded Turntrans-56.6138.4176.8-25.534.7000112.3
720G96.2Very high97.2Very high28 Ų2835.4 Ų35.429%0.28919%0.187SC..THydrogen-bonded Turntrans96.2-6.2-179.200000114.6L678 R679 V718L678-G720 CarbonylContact C-O 3.59Å; L678-G720 WeakPolarHBondContact CA-O 3.43Å; R679-G720 PolarHBondContact N-O 3.32Å; V718-G720 PolarHBondContact O-N 2.94Å
721I98.3Very high96.4Very high20 Ų2032.8 Ų32.810%0.10318%0.175CC..EExtended strand (participates in β ladder)trans-89.1126.2176.8-56.8-46.1000111.3T631 V635 L659 R679 V681 V718 V724T631-I721 HydrophobicContact CG2-CD1 3.68Å; T631-I721 HydrophobicContact CG2-CG1 4.46Å; V635-I721 HydrophobicContact CG2-CD1 4.05Å; V635-I721 HydrophobicContact CG2-CG1 3.88Å; L659-I721 HydrophobicContact CD1-CD1 3.78Å; R679-I721 CarbonylContact O-C 3.58Å; R679-I721 VanDerWaalsContact O-CA 3.3Å; R679-I721 WeakPolarHBondContact O-CA 3.36Å; V681-I721 HydrophobicContact CG2-CD1 3.55Å; V681-I721 HydrophobicContact CG2-CG1 4.13Å; V681-I721 HydrophobicContact CG2-CG2 4.18Å; V718-I721 HydrophobicContact CB-CG1 4.16Å; V718-I721 WeakPolarHBondContact O-CG1 3.36Å; V718-I721 PolarHBondContact O-N 2.93Å; I721-V724 HydrophobicContact CG2-CG2 4.4Å
722S97.2Very high95.2Very high11 Ų1135.4 Ų35.48%0.07719%0.192CC..EExtended strand (participates in β ladder)trans-88.7-51.9178170.20000111.8F664 R679F664-S722 PolarHBondContact N-OG 3.32Å; F664-S722 VanDerWaalsContact N-OG 3.07Å; R679-S722 PolarHBondContact O-N 3.08Å
723R97.9Very high94Very high64 Ų6436.4 Ų36.424%0.24220%0.201CC..EExtended strand (participates in β ladder)trans-149154-179.6-67.2-68.9178.8-102.55110.7I607 F664 D665 S680 V681 L725I607-R723 HydrophobicContact CG2-CB 4.12Å; I607-R723 HydrophobicContact CG2-CG 4.1Å; F664-R723 HydrophobicContact CB-CG 3.71Å; F664-R723 HydrophobicContact CD2-CB 3.77Å; F664-R723 HydrophobicContact CD2-CG 3.68Å; F664-R723 HydrophobicContact CE2-CB 4.33Å; F664-R723 HydrophobicContact CG-CB 4.47Å; F664-R723 HydrophobicContact CG-CG 3.9Å; D665-R723 IonicContact OD2-CZ 2.78Å; D665-R723 IonicContact OD2-NE 2.65Å; D665-R723 PolarHBondContact OD2-NE 3.31Å; D665-R723 IonicContact OD2-NH2 3.48Å; D665-R723 PolarHBondContact OD2-NH2 3.47Å; S680-R723 VanDerWaalsContact CA-O 3.26Å; S680-R723 WeakPolarHBondContact CA-O 3.27Å; S680-R723 VanDerWaalsContact CB-O 3.27Å; S680-R723 WeakPolarHBondContact CB-O 3.41Å; S680-R723 PolarHBondContact OG-N 3.41Å; S680-R723 PolarHBondContact OG-O 3.2Å; V681-R723 PolarHBondContact N-O 3.2Å; R723-L725 HydrophobicContact CB-CD1 4.1Å
724V98.6Very high92.8Very high0 Ų032.1 Ų32.10%019%0.19CC..EExtended strand (participates in β ladder)trans-106.5134168.4-1740000108.8L608 V681 L683 Q712 A715 E716 I721L608-V724 WeakPolarHBondContact CB-O 3.26Å; L608-V724 HydrophobicContact CD1-CB 4.4Å; L608-V724 HydrophobicContact CD1-CG1 4.05Å; L608-V724 PolarHBondContact N-O 3.47Å; V681-V724 CarbonylContact O-C 3.56Å; V681-V724 WeakPolarHBondContact O-CA 3.48Å; L683-V724 HydrophobicContact CD1-CG1 3.73Å; L683-V724 HydrophobicContact CD2-CG1 4.3Å; L683-V724 HydrophobicContact CG-CG1 3.68Å; Q712-V724 HydrophobicContact CG-CB 4.16Å; Q712-V724 HydrophobicContact CG-CG2 4.3Å; A715-V724 HydrophobicContact CB-CG2 3.62Å; E716-V724 HydrophobicContact CG-CG2 3.74Å; I721-V724 HydrophobicContact CG2-CG2 4.4Å
725L98.6Very high92Very high0 Ų031.6 Ų31.60%019%0.186CC..EExtended strand (participates in β ladder)trans-119.8152.5-178.8-63.679.3000108.8A575 V605 Y606 I607 I660 F664 V681 V682 L683 R723A575-L725 HydrophobicContact CB-CD2 4.41Å; V605-L725 HydrophobicContact CB-CB 4.33Å; V605-L725 HydrophobicContact CB-CD2 4.34Å; V605-L725 HydrophobicContact CG2-CB 4.4Å; V605-L725 HydrophobicContact CG2-CD2 3.52Å; Y606-L725 CarbonylContact O-C 3.51Å; Y606-L725 WeakPolarHBondContact O-CA 3.25Å; I607-L725 HydrophobicContact CB-CG 4.46Å; I607-L725 HydrophobicContact CG1-CD2 3.96Å; I607-L725 HydrophobicContact CG1-CG 4.08Å; I607-L725 HydrophobicContact CG2-CG 4.5Å; I660-L725 HydrophobicContact CD1-CD1 4.43Å; I660-L725 HydrophobicContact CD1-CD2 4.35Å; F664-L725 HydrophobicContact CE2-CD1 3.87Å; F664-L725 HydrophobicContact CE2-CD2 4.16Å; F664-L725 HydrophobicContact CZ-CD1 4.44Å; F664-L725 HydrophobicContact CZ-CD2 3.93Å; V681-L725 PolarHBondContact O-N 2.78Å; V682-L725 CarbonylContact C-O 3.49Å; V682-L725 WeakPolarHBondContact CA-O 3.41Å; V682-L725 HydrophobicContact CG2-CB 4.19Å; L683-L725 PolarHBondContact N-O 2.88Å; R723-L725 HydrophobicContact CB-CD1 4.1Å
726Y98.5Very high91.5Very high0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-118.6122.1178.2-162.2-79.2000109.6W584 V605 Y606 L683 P685 A697 P699 V708 L728W584-Y726 HydrophobicContact CZ3-CD1 4.26Å; W584-Y726 HydrophobicContact CZ3-CG 4.33Å; V605-Y726 CarbonylContact C-O 3.52Å; V605-Y726 VanDerWaalsContact CA-O 3.27Å; V605-Y726 WeakPolarHBondContact CA-O 3.49Å; Y606-Y726 PolarHBondContact N-O 2.99Å; Y606-Y726 PolarHBondContact O-N 2.97Å; L683-Y726 HydrophobicContact CB-CD2 4.33Å; P685-Y726 HydrophobicContact CG-CE1 3.98Å; P685-Y726 HydrophobicContact CG-CE2 3.79Å; P685-Y726 WeakPolarHBondContact CG-OH 3.35Å; A697-Y726 WeakPolarHBondContact O-CE1 3.41Å; A697-Y726 PolarHBondContact O-OH 3Å; P699-Y726 HydrophobicContact CG-CD1 4.45Å; P699-Y726 HydrophobicContact CG-CE1 3.83Å; P699-Y726 HydrophobicContact CG-CE2 3.92Å; P699-Y726 VanDerWaalsContact CG-CZ 3.49Å; P699-Y726 WeakPolarHBondContact CG-OH 3.19Å; V708-Y726 HydrophobicContact CG1-CD2 3.72Å; V708-Y726 HydrophobicContact CG1-CE2 3.77Å; V708-Y726 HydrophobicContact CG2-CE2 3.95Å; Y726-L728 HydrophobicContact CD1-CD2 3.77Å; Y726-L728 HydrophobicContact CD1-CG 4.1Å; Y726-L728 HydrophobicContact CE1-CD2 3.84Å
727D97.9Very high91.1Very high0 Ų029.1 Ų29.10%017%0.174CC..EExtended strand (participates in β ladder)trans-85.7126.7180-173.43.9000112.1R603 V605 V682 L683 R684 T729 W738R603-D727 IonicContact NH1-OD2 2.85Å; V605-D727 HydrophobicContact CG1-CB 3.94Å; V682-D727 HydrophobicContact CG1-CB 3.88Å; L683-D727 PolarHBondContact O-N 2.65Å; R684-D727 HydrophobicContact CB-CB 4.11Å; R684-D727 VanDerWaalsContact CD-OD2 3.28Å; R684-D727 WeakPolarHBondContact CD-OD2 3.37Å; R684-D727 HydrophobicContact CG-CB 4.04Å; R684-D727 IonicContact CZ-OD2 2.63Å; R684-D727 IonicContact NE-OD2 3.43Å; R684-D727 IonicContact NH1-OD1 3.85Å; R684-D727 IonicContact NH1-OD2 3.78Å; R684-D727 PolarHBondContact NH1-OD2 3.15Å; D727-T729 VanDerWaalsContact OD1-CB 3.25Å; D727-T729 WeakPolarHBondContact OD1-CB 3.36Å; D727-T729 PolarHBondContact OD1-N 3.2Å; D727-T729 PolarHBondContact OD1-OG1 2.75Å; D727-W738 HydrophobicContact CB-CZ2 4.27Å; D727-W738 PolarHBondContact OD2-NE1 2.95Å
728L95.7Very high90.7Very high5 Ų523.9 Ų23.93%0.02615%0.15CC..  trans-111.610.1-177.4-66.2168.9000112.4W584 L587 A591 V604 A696 Y726W584-L728 HydrophobicContact CE3-CD1 4.43Å; W584-L728 HydrophobicContact CE3-CD2 4.27Å; W584-L728 HydrophobicContact CZ3-CD1 4.48Å; L587-L728 HydrophobicContact CB-CD1 3.42Å; L587-L728 VanDerWaalsContact CB-CD1 3.42Å; L587-L728 HydrophobicContact CD1-CD1 4.33Å; L587-L728 HydrophobicContact CG-CD1 4.42Å; A591-L728 HydrophobicContact CB-CB 3.73Å; A591-L728 WeakPolarHBondContact CB-O 3.43Å; V604-L728 PolarHBondContact O-N 3.24Å; A696-L728 VanDerWaalsContact CB-C 3.48Å; Y726-L728 HydrophobicContact CD1-CD2 3.77Å; Y726-L728 HydrophobicContact CD1-CG 4.1Å; Y726-L728 HydrophobicContact CE1-CD2 3.84Å
729T92.8Very high90Very high7 Ų724.2 Ų24.24%0.04315%0.151CC..  trans-91.1119.4-175-36.40000111.7N602 R603 V604 R684 D727N602-T729 WeakPolarHBondContact O-CG2 3.5Å; R603-T729 WeakPolarHBondContact CA-OG1 3.46Å; V604-T729 PolarHBondContact N-OG1 2.98Å; V604-T729 PolarHBondContact O-OG1 3.44Å; R684-T729 PolarHBondContact NH1-O 2.86Å; R684-T729 PolarHBondContact NH2-O 2.86Å; D727-T729 VanDerWaalsContact OD1-CB 3.25Å; D727-T729 WeakPolarHBondContact OD1-CB 3.36Å; D727-T729 PolarHBondContact OD1-N 3.2Å; D727-T729 PolarHBondContact OD1-OG1 2.75Å
730S88Confident89.7Confident49 Ų4919.9 Ų19.934%0.34312%0.122SC..  trans-70.6138.1168.9-59.30000110.6C694 I695C694-S730 WeakPolarHBondContact O-CB 3.41Å; I695-S730 WeakPolarHBondContact CA-OG 3.37Å
731K82.9Confident89.3Confident33 Ų3319.4 Ų19.414%0.14311%0.113CC..BIsolated β-bridgetrans-143.3158.1179.9-76.1-60.8-173.6-176.70111.5N602 R603 C694N602-K731 WeakPolarHBondContact O-CE 3.14Å; N602-K731 PolarHBondContact O-NZ 3.45Å; R603-K731 VanDerWaalsContact CZ-CG 3.43Å; C694-K731 VanDerWaalsContact CB-O 3.29Å; C694-K731 WeakPolarHBondContact CB-O 3.47Å; C694-K731 PolarHBondContact O-N 3.35Å; C694-K731 VanDerWaalsContact O-N 3.17Å; C694-K731 VanDerWaalsContact O-O 3.11Å
732P73.3Confident88.8Confident55 Ų5519.4 Ų19.436%0.35711%0.114SC..  trans-65.2155.7168.528.9-34.3000111.2V563 A734 T735 I736V563-P732 HydrophobicContact CB-CG 4.19Å; V563-P732 HydrophobicContact CG2-CG 3.79Å; P732-A734 PolarHBondContact O-N 3.38Å; P732-A734 VanDerWaalsContact O-N 3.13Å; P732-T735 CarbonylContact O-C 3.58Å; P732-T735 PolarHBondContact O-N 2.87Å; P732-T735 PolarHBondContact O-OG1 3.12Å; P732-I736 PolarHBondContact O-N 3.26Å
733P71.9Confident88.3Confident44 Ų4419.9 Ų19.929%0.28612%0.116SC..G310 helixtrans-50.2-38.8-179.1-24.125.2000114.6F691 M692 T735 I736F691-P733 WeakPolarHBondContact O-CB 3.27Å; F691-P733 WeakPolarHBondContact O-CG 3.38Å; M692-P733 WeakPolarHBondContact O-CD 3.47Å; M692-P733 WeakPolarHBondContact O-CG 3.38Å; P733-T735 PolarHBondContact O-N 3.08Å; P733-T735 VanDerWaalsContact O-N 3.11Å; P733-I736 HydrophobicContact CB-CD1 4.37Å; P733-I736 WeakPolarHBondContact O-CG1 3.28Å; P733-I736 PolarHBondContact O-N 3.17Å
734A73Confident87.7Confident42 Ų4217.1 Ų17.135%0.34711%0.108SC..G310 helixtrans-63.7-15.8-179.300000114.2I432 P732I432-A734 HydrophobicContact CG2-CB 4.1Å; P732-A734 PolarHBondContact O-N 3.38Å; P732-A734 VanDerWaalsContact O-N 3.13Å
735T82.8Confident87Confident0 Ų018.3 Ų18.30%012%0.115CC..G310 helixtrans-133.435.2179.555.40000112.1V561 V563 R603 P732 P733 E737V561-T735 HydrophobicContact CG1-CG2 4.11Å; V561-T735 HydrophobicContact CG2-CG2 3.83Å; V563-T735 HydrophobicContact CG2-CG2 3.23Å; R603-T735 PolarHBondContact NH2-O 2.86Å; P732-T735 CarbonylContact O-C 3.58Å; P732-T735 PolarHBondContact O-N 2.87Å; P732-T735 PolarHBondContact O-OG1 3.12Å; P733-T735 PolarHBondContact O-N 3.08Å; P733-T735 VanDerWaalsContact O-N 3.11Å; T735-E737 VanDerWaalsContact C-N 3.27Å
736I86.1Confident86.2Confident11 Ų1119.6 Ų19.66%0.05612%0.124CC..  trans-64.8-36.8167.9-68.2165.1000110.4P656 R684 V686 C694 P732 P733P656-I736 HydrophobicContact CG-CG2 3.89Å; R684-I736 WeakPolarHBondContact CD-O 3.21Å; R684-I736 PolarHBondContact NE-O 3.37Å; V686-I736 HydrophobicContact CG1-CG2 3.99Å; V686-I736 HydrophobicContact CG2-CD1 4.36Å; V686-I736 HydrophobicContact CG2-CG2 3.93Å; C694-I736 HydrophobicContact CB-CD1 4.24Å; C694-I736 HydrophobicContact CB-CG1 4.16Å; C694-I736 VanDerWaalsContact SG-CD1 3.54Å; P732-I736 PolarHBondContact O-N 3.26Å; P733-I736 HydrophobicContact CB-CD1 4.37Å; P733-I736 WeakPolarHBondContact O-CG1 3.28Å; P733-I736 PolarHBondContact O-N 3.17Å
737E90Very high85.2Confident14 Ų1421.1 Ų21.17%0.06513%0.133CC..SBendtrans-72.5159.1176.1-54.9-66164.900110.4P483 R490 V561 R603 Q654 T735 E739P483-E737 HydrophobicContact CB-CG 4.35Å; P483-E737 HydrophobicContact CG-CG 4.4Å; R490-E737 WeakPolarHBondContact CG-OE2 3.33Å; R490-E737 IonicContact CZ-OE1 3.11Å; R490-E737 IonicContact CZ-OE2 2.62Å; R490-E737 IonicContact NE-OE1 2.76Å; R490-E737 IonicContact NE-OE2 3.49Å; R490-E737 PolarHBondContact NE-OE2 3Å; R490-E737 IonicContact NH2-OE1 2.63Å; R490-E737 PolarHBondContact NH2-OE1 3.02Å; R490-E737 IonicContact NH2-OE2 3.64Å; V561-E737 WeakPolarHBondContact CG1-O 3.29Å; R603-E737 PolarHBondContact NH2-O 3.35Å; Q654-E737 PolarHBondContact NE2-OE1 3.27Å; T735-E737 VanDerWaalsContact C-N 3.27Å; E737-E739 HydrophobicContact CB-CG 3.63Å; E737-E739 WeakPolarHBondContact CB-OE1 3.34Å
738W89Confident84.2Confident0 Ų022.8 Ų22.80%014%0.144CC..  trans-88.7-29.2-176.1-98.641.9000115L492 I558 S560 V561 A573 R603 V605 V658 I660 V682 D727L492-W738 HydrophobicContact CD1-CB 4.01Å; L492-W738 HydrophobicContact CD2-CE3 4.2Å; I558-W738 HydrophobicContact CD1-CZ3 4.44Å; S560-W738 VanDerWaalsContact CA-O 3.31Å; S560-W738 WeakPolarHBondContact CA-O 3.5Å; S560-W738 WeakPolarHBondContact CB-O 3.35Å; V561-W738 PolarHBondContact N-O 2.73Å; A573-W738 HydrophobicContact CB-CH2 4.07Å; A573-W738 HydrophobicContact CB-CZ3 4.31Å; R603-W738 HydrophobicContact CB-CH2 4.34Å; R603-W738 HydrophobicContact CB-CZ2 3.93Å; R603-W738 HydrophobicContact CG-CZ2 3.94Å; V605-W738 HydrophobicContact CG1-CH2 3.32Å; V605-W738 HydrophobicContact CG1-CZ2 3.19Å; V605-W738 HydrophobicContact CG2-CH2 4.43Å; V658-W738 HydrophobicContact CB-CB 4.39Å; V658-W738 HydrophobicContact CG1-CB 3.7Å; V658-W738 HydrophobicContact CG1-CG 4.24Å; V658-W738 HydrophobicContact CG2-CB 4Å; V658-W738 HydrophobicContact CG2-CG 4.26Å; I660-W738 HydrophobicContact CG2-CE3 3.87Å; I660-W738 HydrophobicContact CG2-CZ3 4.01Å; V682-W738 HydrophobicContact CG1-CD2 4.39Å; V682-W738 HydrophobicContact CG1-CH2 4.09Å; V682-W738 HydrophobicContact CG1-CZ2 3.76Å; V682-W738 HydrophobicContact CG2-CE3 4.03Å; V682-W738 HydrophobicContact CG2-CH2 3.88Å; V682-W738 HydrophobicContact CG2-CZ2 4.37Å; V682-W738 HydrophobicContact CG2-CZ3 3.69Å; D727-W738 HydrophobicContact CB-CZ2 4.27Å; D727-W738 PolarHBondContact OD2-NE1 2.95Å
739E84.8Confident83.1Confident14 Ų1424.5 Ų24.57%0.06516%0.155CC..  trans37.80169.8-43.7-170.7167.700120P377 R381 V489 V561 R568 E737P377-E739 HydrophobicContact CB-CB 3.86Å; P377-E739 HydrophobicContact CG-CB 4.14Å; R381-E739 IonicContact CZ-OE1 3.56Å; R381-E739 IonicContact CZ-OE2 3.76Å; R381-E739 IonicContact NH1-OE1 2.98Å; R381-E739 IonicContact NH1-OE2 2.83Å; R381-E739 PolarHBondContact NH1-OE2 2.91Å; R381-E739 IonicContact NH2-OE1 2.86Å; R381-E739 PolarHBondContact NH2-OE1 3.03Å; R381-E739 IonicContact NH2-OE2 3.64Å; R381-E739 PolarHBondContact NH2-OE2 2.7Å; V489-E739 HydrophobicContact CB-CG 4.17Å; V561-E739 HydrophobicContact CB-CB 4.12Å; V561-E739 HydrophobicContact CG1-CB 3.86Å; V561-E739 HydrophobicContact CG1-CG 3.99Å; R568-E739 IonicContact NE-OE2 2.97Å; E737-E739 HydrophobicContact CB-CG 3.63Å; E737-E739 WeakPolarHBondContact CB-OE1 3.34Å

Retrieved 739 of 739 residues in 164.8 ms (Link to these results)

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