A0A087XT62_POEFO Loading...

IQ motif containing H

AlphaFold DB , UniProt , Accession A0A087XT62, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 597 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
1M61.8Low86.2Confident139 Ų13963.6 Ų63.669%0.68532%0.322SS*.  0111.80-143.9163.1171.600109.4P3 E56 E83M1-P3 WeakPolarHBondContact O-CD 3.41Å; M1-E56 VanDerWaalsContact CA-CD 3.42Å; M1-E56 WeakPolarHBondContact CA-OE1 3.41Å; M1-E56 WeakPolarHBondContact CA-OE2 3.37Å; M1-E56 PolarHBondContact N-OE1 2.98Å; M1-E56 PolarHBondContact N-OE2 3.47Å; M1-E83 WeakPolarHBondContact CE-OE1 3.38Å
2F80.3Confident86.4Confident43 Ų4366.1 Ų66.119%0.18934%0.337CS..  trans-110.664.5174.6-68.2-98.7000109.6F21 K24 F25 G55 E56F2-F21 HydrophobicContact CB-CB 4.37Å; F2-F21 HydrophobicContact CB-CD2 3.8Å; F2-K24 HydrophobicContact CD1-CD 4.12Å; F2-K24 HydrophobicContact CD2-CD 4.05Å; F2-K24 HydrophobicContact CE1-CB 4.42Å; F2-K24 HydrophobicContact CE1-CD 3.47Å; F2-K24 VanDerWaalsContact CE1-CD 3.47Å; F2-K24 HydrophobicContact CE2-CD 3.49Å; F2-K24 VanDerWaalsContact CE2-CD 3.49Å; F2-K24 HydrophobicContact CG-CD 4.39Å; F2-K24 HydrophobicContact CZ-CD 3.15Å; F2-F25 HydrophobicContact CD2-CE2 4.27Å; F2-F25 HydrophobicContact CG-CE2 4.26Å; F2-G55 WeakPolarHBondContact O-CA 3.22Å; F2-G55 PolarHBondContact O-N 3.07Å; F2-E56 HydrophobicContact CD2-CG 4.03Å; F2-E56 VanDerWaalsContact CD2-OE1 3.28Å; F2-E56 WeakPolarHBondContact CD2-OE1 3.35Å; F2-E56 WeakPolarHBondContact CE2-OE1 3.4Å
3P87.4Confident86.3Confident49 Ų4967.1 Ų67.132%0.31835%0.35SS..EExtended strand (participates in β ladder)trans-72.7142.9177.232.3-34.2000109.9M1 V53 E83M1-P3 WeakPolarHBondContact O-CD 3.41Å; P3-V53 WeakPolarHBondContact CA-O 3.19Å; P3-E83 WeakPolarHBondContact CB-OE1 3.35Å
4F90.8Very high86.3Confident2 Ų272.5 Ų72.51%0.00938%0.376CS..EExtended strand (participates in β ladder)trans-139.2160.4168.763-89.2000110.5I6 I11 D17 F18 F21 L36 V53F4-I6 HydrophobicContact CE2-CG1 4.43Å; F4-I11 HydrophobicContact CE2-CD1 4.43Å; F4-D17 WeakPolarHBondContact CA-OD2 3.28Å; F4-D17 HydrophobicContact CB-CB 4.34Å; F4-F18 HydrophobicContact CB-CB 4.32Å; F4-F18 HydrophobicContact CB-CD2 4.42Å; F4-F18 HydrophobicContact CD1-CD2 4.3Å; F4-F18 AromaticContact CD2-CD2 3.64Å; F4-F18 HydrophobicContact CD2-CD2 3.64Å; F4-F18 HydrophobicContact CD2-CE2 4.21Å; F4-F18 AromaticContact CE2-CD2 3.87Å; F4-F18 HydrophobicContact CE2-CD2 3.87Å; F4-F18 AromaticContact CE2-CE2 3.96Å; F4-F18 HydrophobicContact CE2-CE2 3.96Å; F4-F18 AromaticContact CG-CD2 3.86Å; F4-F18 HydrophobicContact CG-CD2 3.86Å; F4-F18 HydrophobicContact CZ-CD2 4.3Å; F4-F18 HydrophobicContact CZ-CE2 4.23Å; F4-F21 HydrophobicContact CD1-CB 4.31Å; F4-F21 AromaticContact CD1-CD1 3.95Å; F4-F21 HydrophobicContact CD1-CD1 3.95Å; F4-F21 HydrophobicContact CD1-CD2 4.49Å; F4-F21 HydrophobicContact CD1-CE1 4.44Å; F4-F21 AromaticContact CD1-CG 3.99Å; F4-F21 HydrophobicContact CD1-CG 3.99Å; F4-F21 AromaticContact CE1-CD1 3.58Å; F4-F21 HydrophobicContact CE1-CD1 3.58Å; F4-F21 HydrophobicContact CE1-CD2 4.35Å; F4-F21 AromaticContact CE1-CE1 3.63Å; F4-F21 HydrophobicContact CE1-CE1 3.63Å; F4-F21 HydrophobicContact CE1-CE2 4.42Å; F4-F21 AromaticContact CE1-CG 3.97Å; F4-F21 HydrophobicContact CE1-CG 3.97Å; F4-F21 HydrophobicContact CE1-CZ 4.08Å; F4-F21 HydrophobicContact CZ-CD1 4.32Å; F4-F21 HydrophobicContact CZ-CE1 4.18Å; F4-L36 HydrophobicContact CE2-CD2 4.15Å; F4-L36 HydrophobicContact CZ-CD1 4.18Å; F4-L36 HydrophobicContact CZ-CD2 3.78Å; F4-V53 HydrophobicContact CD2-CB 4.38Å; F4-V53 HydrophobicContact CE1-CB 4.12Å; F4-V53 HydrophobicContact CE1-CG1 4.01Å; F4-V53 HydrophobicContact CE2-CB 3.97Å; F4-V53 HydrophobicContact CE2-CG1 4.34Å; F4-V53 HydrophobicContact CE2-CG2 4.02Å; F4-V53 HydrophobicContact CZ-CB 3.83Å; F4-V53 HydrophobicContact CZ-CG1 3.75Å; F4-V53 HydrophobicContact CZ-CG2 4.25Å; F4-V53 PolarHBondContact N-O 3.1Å; F4-V53 PolarHBondContact O-N 2.88Å
5T91.7Very high86.4Confident57 Ų5769.2 Ų69.235%0.3536%0.363SS..EExtended strand (participates in β ladder)trans-107.2140.8-172.961.90000113.1K52T5-K52 HydrophobicContact CG2-CG 4.09Å
6I91.9Very high86.4Confident1 Ų176.5 Ų76.51%0.00539%0.391CS..EExtended strand (participates in β ladder)trans-109.5117.6169.9-53.5-174.7000107.2F4 I11 L39 T40 L43 L50 A51 V53F4-I6 HydrophobicContact CE2-CG1 4.43Å; I6-I11 HydrophobicContact CD1-CD1 4.33Å; I6-I11 HydrophobicContact CD1-CG1 4.16Å; I6-I11 HydrophobicContact CG1-CD1 4.49Å; I6-I11 HydrophobicContact CG1-CG1 3.84Å; I6-I11 HydrophobicContact CG2-CG1 4.43Å; I6-L39 HydrophobicContact CD1-CD2 4.02Å; I6-L39 HydrophobicContact CD1-CG 4.34Å; I6-T40 HydrophobicContact CD1-CG2 4.04Å; I6-T40 HydrophobicContact CG2-CG2 4.19Å; I6-L43 HydrophobicContact CB-CD1 4.21Å; I6-L43 HydrophobicContact CD1-CD1 3.93Å; I6-L43 HydrophobicContact CG2-CD1 3.95Å; I6-L50 WeakPolarHBondContact O-CA 3.18Å; I6-A51 HydrophobicContact CB-CB 4.39Å; I6-A51 PolarHBondContact N-O 3.44Å; I6-A51 PolarHBondContact O-N 3.3Å; I6-V53 HydrophobicContact CD1-CG2 3.56Å; I6-V53 HydrophobicContact CG1-CG2 3.83Å
7V89.8Confident86.5Confident75 Ų7575.4 Ų75.446%0.45539%0.386SS..EExtended strand (participates in β ladder)trans-106.3123.4-179.7-177.80000108.5G9 Q10 L50V7-G9 PolarHBondContact O-N 3.2Å; V7-G9 VanDerWaalsContact O-N 3.1Å; V7-Q10 PolarHBondContact N-O 2.96Å; V7-Q10 PolarHBondContact O-N 3.02Å; V7-L50 HydrophobicContact CG2-CD1 3.87Å
8K87.4Confident86.6Confident160 Ų16072.2 Ų72.270%0.69637%0.369SS*.THydrogen-bonded Turntrans50.235.3-177.8-61177.4179.8175.70113.8Q10 V48 P49K8-Q10 VanDerWaalsContact C-N 3.27Å; K8-Q10 PolarHBondContact O-N 3.45Å; K8-V48 WeakPolarHBondContact CA-O 3.31Å; K8-P49 PolarHBondContact N-O 2.92Å
9G86.8Confident86.6Confident1 Ų171.5 Ų71.51%0.0137%0.365CS..THydrogen-bonded Turntrans70.918-178.400000114.8V7 T40 R44V7-G9 PolarHBondContact O-N 3.2Å; V7-G9 VanDerWaalsContact O-N 3.1Å; G9-T40 WeakPolarHBondContact O-CB 3.29Å; G9-R44 PolarHBondContact O-NE 3.34Å; G9-R44 PolarHBondContact O-NH2 3.45Å
10Q89.4Confident86.5Confident132 Ų13271 Ų7162%0.61737%0.368SS*.BIsolated β-bridgetrans-120.1140.2173.1-64.9-177.6-9.400109.9V7 K8V7-Q10 PolarHBondContact N-O 2.96Å; V7-Q10 PolarHBondContact O-N 3.02Å; K8-Q10 VanDerWaalsContact C-N 3.27Å; K8-Q10 PolarHBondContact O-N 3.45Å
11I90.6Very high86.6Confident41 Ų4167.6 Ų67.621%0.2135%0.35CS..  trans-98.6131.6173.5-62.7163.1000107.1F4 I6 P13 F18 L36 T40F4-I11 HydrophobicContact CE2-CD1 4.43Å; I6-I11 HydrophobicContact CD1-CD1 4.33Å; I6-I11 HydrophobicContact CD1-CG1 4.16Å; I6-I11 HydrophobicContact CG1-CD1 4.49Å; I6-I11 HydrophobicContact CG1-CG1 3.84Å; I6-I11 HydrophobicContact CG2-CG1 4.43Å; I11-P13 WeakPolarHBondContact O-CD 3.4Å; I11-F18 HydrophobicContact CD1-CE2 4.37Å; I11-F18 HydrophobicContact CG2-CD1 3.73Å; I11-F18 HydrophobicContact CG2-CD2 3.68Å; I11-F18 HydrophobicContact CG2-CE1 3.68Å; I11-F18 HydrophobicContact CG2-CE2 3.64Å; I11-F18 HydrophobicContact CG2-CG 3.71Å; I11-F18 HydrophobicContact CG2-CZ 3.63Å; I11-L36 HydrophobicContact CD1-CB 4.14Å; I11-L36 HydrophobicContact CD1-CD1 4.13Å; I11-L36 HydrophobicContact CD1-CD2 4.37Å; I11-L36 HydrophobicContact CD1-CG 4.44Å; I11-T40 HydrophobicContact CD1-CG2 3.82Å; I11-T40 HydrophobicContact CG1-CG2 4.02Å
12D89.3Confident87.8Confident93 Ų9365.5 Ų65.550%0.49734%0.337SS..  trans-82111.9172.1179.11.9000109.4M14 A15D12-M14 PolarHBondContact O-N 3.35Å; D12-M14 PolarHBondContact OD1-N 3.18Å; D12-A15 HydrophobicContact CB-CB 4.08Å; D12-A15 WeakPolarHBondContact O-CB 3.39Å; D12-A15 PolarHBondContact O-N 3.14Å
13P85.2Confident88.1Confident79 Ų7970.2 Ų70.251%0.51336%0.36SS..THydrogen-bonded Turntrans-67.9-14-178.429.9-35.7000113.3I11 I19I11-P13 WeakPolarHBondContact O-CD 3.4Å; P13-I19 WeakPolarHBondContact O-CG1 3.37Å
14M86Confident88Confident143 Ų14372.7 Ų72.770%0.70437%0.366SS*.THydrogen-bonded Turntrans-97.2-1.7179.8-60.8-62.4143.200112.9D12 K16D12-M14 PolarHBondContact O-N 3.35Å; D12-M14 PolarHBondContact OD1-N 3.18Å; M14-K16 PolarHBondContact O-N 3.15Å
15A87.5Confident87.7Confident23 Ų2373.6 Ų73.619%0.1937%0.37CS..  trans-68.9131.417900000110.9D12 D17 F18 I19D12-A15 HydrophobicContact CB-CB 4.08Å; D12-A15 WeakPolarHBondContact O-CB 3.39Å; D12-A15 PolarHBondContact O-N 3.14Å; A15-D17 VanDerWaalsContact C-N 3.29Å; A15-D17 WeakPolarHBondContact CB-OD1 3.42Å; A15-D17 PolarHBondContact O-N 3.32Å; A15-F18 HydrophobicContact CB-CB 4.26Å; A15-F18 PolarHBondContact O-N 3.3Å; A15-F18 VanDerWaalsContact O-N 3.16Å; A15-I19 WeakPolarHBondContact O-CG1 3.41Å; A15-I19 PolarHBondContact O-N 2.93Å
16K85.9Confident87.3Confident186 Ų18674.7 Ų74.781%0.80938%0.38SS*.Hα-helixtrans-61-36.6-172.5-67.3-177.1178.8-179.40112.9M14 C20M14-K16 PolarHBondContact O-N 3.15Å; K16-C20 VanDerWaalsContact O-CB 3.26Å; K16-C20 WeakPolarHBondContact O-CB 3.25Å; K16-C20 PolarHBondContact O-N 3.48Å; K16-C20 VanDerWaalsContact O-N 3.1Å
17D88.3Confident86.9Confident57 Ų5782.3 Ų82.331%0.30541%0.409SS..Hα-helixtrans-66-44.8175.655.3-17.9000111.8F4 A15 C20 F21F4-D17 WeakPolarHBondContact CA-OD2 3.28Å; F4-D17 HydrophobicContact CB-CB 4.34Å; A15-D17 VanDerWaalsContact C-N 3.29Å; A15-D17 WeakPolarHBondContact CB-OD1 3.42Å; A15-D17 PolarHBondContact O-N 3.32Å; D17-C20 PolarHBondContact O-N 2.91Å; D17-F21 WeakPolarHBondContact O-CB 3.44Å; D17-F21 PolarHBondContact O-N 3.45Å
18F88.2Confident86.5Confident19 Ų1979.4 Ų79.48%0.08339%0.392CS..Hα-helixtrans-70.3-38.9177.7-172.6-110.9000113.1F4 I11 A15 F21 K22 W29 L36F4-F18 HydrophobicContact CB-CB 4.32Å; F4-F18 HydrophobicContact CB-CD2 4.42Å; F4-F18 HydrophobicContact CD1-CD2 4.3Å; F4-F18 AromaticContact CD2-CD2 3.64Å; F4-F18 HydrophobicContact CD2-CD2 3.64Å; F4-F18 HydrophobicContact CD2-CE2 4.21Å; F4-F18 AromaticContact CE2-CD2 3.87Å; F4-F18 HydrophobicContact CE2-CD2 3.87Å; F4-F18 AromaticContact CE2-CE2 3.96Å; F4-F18 HydrophobicContact CE2-CE2 3.96Å; F4-F18 AromaticContact CG-CD2 3.86Å; F4-F18 HydrophobicContact CG-CD2 3.86Å; F4-F18 HydrophobicContact CZ-CD2 4.3Å; F4-F18 HydrophobicContact CZ-CE2 4.23Å; I11-F18 HydrophobicContact CD1-CE2 4.37Å; I11-F18 HydrophobicContact CG2-CD1 3.73Å; I11-F18 HydrophobicContact CG2-CD2 3.68Å; I11-F18 HydrophobicContact CG2-CE1 3.68Å; I11-F18 HydrophobicContact CG2-CE2 3.64Å; I11-F18 HydrophobicContact CG2-CG 3.71Å; I11-F18 HydrophobicContact CG2-CZ 3.63Å; A15-F18 HydrophobicContact CB-CB 4.26Å; A15-F18 PolarHBondContact O-N 3.3Å; A15-F18 VanDerWaalsContact O-N 3.16Å; F18-F21 HydrophobicContact CD2-CD1 4.44Å; F18-F21 HydrophobicContact CE2-CD1 4.44Å; F18-F21 PolarHBondContact O-N 2.82Å; F18-K22 VanDerWaalsContact O-CB 3.31Å; F18-K22 WeakPolarHBondContact O-CB 3.26Å; F18-K22 PolarHBondContact O-N 2.71Å; F18-W29 HydrophobicContact CE1-CH2 4.24Å; F18-W29 HydrophobicContact CE1-CZ2 4.38Å; F18-W29 AromaticContact CE2-CH2 3.9Å; F18-W29 HydrophobicContact CE2-CH2 3.9Å; F18-W29 AromaticContact CZ-CH2 3.53Å; F18-W29 HydrophobicContact CZ-CH2 3.53Å; F18-W29 AromaticContact CZ-CZ2 3.86Å; F18-W29 HydrophobicContact CZ-CZ2 3.86Å; F18-L36 HydrophobicContact CE2-CD1 4.12Å
19I87.2Confident86.5Confident58 Ų5874.2 Ų74.230%0.29737%0.368SS..Hα-helixtrans-61.1-47.7173.7-68.3168.1000110.2P13 A15 F21 K22 E23P13-I19 WeakPolarHBondContact O-CG1 3.37Å; A15-I19 WeakPolarHBondContact O-CG1 3.41Å; A15-I19 PolarHBondContact O-N 2.93Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 3.09Å; I19-K22 PolarHBondContact O-N 2.99Å; I19-K22 VanDerWaalsContact O-N 3.16Å; I19-E23 HydrophobicContact CG2-CG 4.28Å; I19-E23 WeakPolarHBondContact O-CG 3.28Å; I19-E23 PolarHBondContact O-N 3.47Å
20C85.4Confident86.2Confident61 Ų6178 Ų7841%0.41239%0.394SS..Hα-helixtrans-61-41.1178.7-172.60000112.1K16 D17 K24K16-C20 VanDerWaalsContact O-CB 3.26Å; K16-C20 WeakPolarHBondContact O-CB 3.25Å; K16-C20 PolarHBondContact O-N 3.48Å; K16-C20 VanDerWaalsContact O-N 3.1Å; D17-C20 PolarHBondContact O-N 2.91Å; C20-K24 WeakPolarHBondContact O-CB 3.39Å; C20-K24 PolarHBondContact O-N 2.87Å
21F88.2Confident85.8Confident0 Ų074.6 Ų74.60%038%0.38CS..Hα-helixtrans-61.7-47.5172.5175.8-106.3000111.9F2 F4 D17 F18 I19 K24 F25 W29 V32 G55 L58 I59F2-F21 HydrophobicContact CB-CB 4.37Å; F2-F21 HydrophobicContact CB-CD2 3.8Å; F4-F21 HydrophobicContact CD1-CB 4.31Å; F4-F21 AromaticContact CD1-CD1 3.95Å; F4-F21 HydrophobicContact CD1-CD1 3.95Å; F4-F21 HydrophobicContact CD1-CD2 4.49Å; F4-F21 HydrophobicContact CD1-CE1 4.44Å; F4-F21 AromaticContact CD1-CG 3.99Å; F4-F21 HydrophobicContact CD1-CG 3.99Å; F4-F21 AromaticContact CE1-CD1 3.58Å; F4-F21 HydrophobicContact CE1-CD1 3.58Å; F4-F21 HydrophobicContact CE1-CD2 4.35Å; F4-F21 AromaticContact CE1-CE1 3.63Å; F4-F21 HydrophobicContact CE1-CE1 3.63Å; F4-F21 HydrophobicContact CE1-CE2 4.42Å; F4-F21 AromaticContact CE1-CG 3.97Å; F4-F21 HydrophobicContact CE1-CG 3.97Å; F4-F21 HydrophobicContact CE1-CZ 4.08Å; F4-F21 HydrophobicContact CZ-CD1 4.32Å; F4-F21 HydrophobicContact CZ-CE1 4.18Å; D17-F21 WeakPolarHBondContact O-CB 3.44Å; D17-F21 PolarHBondContact O-N 3.45Å; F18-F21 HydrophobicContact CD2-CD1 4.44Å; F18-F21 HydrophobicContact CE2-CD1 4.44Å; F18-F21 PolarHBondContact O-N 2.82Å; I19-F21 VanDerWaalsContact C-N 3.33Å; I19-F21 PolarHBondContact O-N 3.09Å; F21-K24 PolarHBondContact O-N 3.06Å; F21-F25 AromaticContact CD2-CD2 3.42Å; F21-F25 HydrophobicContact CD2-CD2 3.42Å; F21-F25 VanDerWaalsContact CD2-CD2 3.42Å; F21-F25 AromaticContact CD2-CE2 3.62Å; F21-F25 HydrophobicContact CD2-CE2 3.62Å; F21-F25 AromaticContact CE2-CD2 3.32Å; F21-F25 HydrophobicContact CE2-CD2 3.32Å; F21-F25 AromaticContact CE2-CE2 3.6Å; F21-F25 HydrophobicContact CE2-CE2 3.6Å; F21-F25 HydrophobicContact CE2-CG 4.26Å; F21-F25 HydrophobicContact CG-CD2 4.27Å; F21-F25 HydrophobicContact CZ-CD2 4.13Å; F21-F25 VanDerWaalsContact O-CD2 3.31Å; F21-F25 WeakPolarHBondContact O-CD2 3.42Å; F21-F25 PolarHBondContact O-N 2.81Å; F21-F25 VanDerWaalsContact O-N 3.09Å; F21-W29 HydrophobicContact CD1-CH2 4.47Å; F21-W29 HydrophobicContact CD1-CZ3 4.03Å; F21-W29 AromaticContact CE1-CZ3 3.92Å; F21-W29 HydrophobicContact CE1-CZ3 3.92Å; F21-V32 HydrophobicContact CE1-CG1 3.89Å; F21-V32 HydrophobicContact CZ-CG1 4.26Å; F21-G55 VanDerWaalsContact CE2-O 3.31Å; F21-G55 WeakPolarHBondContact CE2-O 3.34Å; F21-L58 HydrophobicContact CE1-CD2 4.41Å; F21-L58 HydrophobicContact CZ-CD2 3.97Å; F21-I59 HydrophobicContact CE2-CD1 4.47Å; F21-I59 HydrophobicContact CE2-CG1 4.12Å; F21-I59 HydrophobicContact CZ-CD1 4.18Å; F21-I59 HydrophobicContact CZ-CG1 4.26Å
22K87Confident85.6Confident96 Ų9672.7 Ų72.742%0.41737%0.37SS..Hα-helixtrans-63.8-42.6-179.3-178.5174.3-177.7-176.50113.3F18 I19 S26 W29F18-K22 VanDerWaalsContact O-CB 3.31Å; F18-K22 WeakPolarHBondContact O-CB 3.26Å; F18-K22 PolarHBondContact O-N 2.71Å; I19-K22 PolarHBondContact O-N 2.99Å; I19-K22 VanDerWaalsContact O-N 3.16Å; K22-S26 PolarHBondContact O-N 3.47Å; K22-W29 HydrophobicContact CB-CE3 4.32Å; K22-W29 HydrophobicContact CB-CH2 3.62Å; K22-W29 HydrophobicContact CB-CZ2 4.16Å; K22-W29 HydrophobicContact CB-CZ3 3.72Å; K22-W29 HydrophobicContact CD-CH2 3.89Å; K22-W29 HydrophobicContact CD-CZ2 3.52Å; K22-W29 HydrophobicContact CG-CD2 3.96Å; K22-W29 HydrophobicContact CG-CE3 3.93Å; K22-W29 HydrophobicContact CG-CH2 3.58Å; K22-W29 HydrophobicContact CG-CZ2 3.62Å; K22-W29 HydrophobicContact CG-CZ3 3.75Å
23E86.5Confident85.5Confident142 Ų14270.7 Ų70.766%0.66436%0.361SS*.Hα-helixtrans-64.2-43.2177.9-74178.6170.800111.3I19 S26I19-E23 HydrophobicContact CG2-CG 4.28Å; I19-E23 WeakPolarHBondContact O-CG 3.28Å; I19-E23 PolarHBondContact O-N 3.47Å; E23-S26 PolarHBondContact O-OG 3.37Å
24K84.9Confident85.5Confident101 Ų10172.2 Ų72.244%0.43936%0.362SS..Hα-helixtrans-67.3-37-179.5-178.6171.1177.4178.90113.6F2 C20 F21F2-K24 HydrophobicContact CD1-CD 4.12Å; F2-K24 HydrophobicContact CD2-CD 4.05Å; F2-K24 HydrophobicContact CE1-CB 4.42Å; F2-K24 HydrophobicContact CE1-CD 3.47Å; F2-K24 VanDerWaalsContact CE1-CD 3.47Å; F2-K24 HydrophobicContact CE2-CD 3.49Å; F2-K24 VanDerWaalsContact CE2-CD 3.49Å; F2-K24 HydrophobicContact CG-CD 4.39Å; F2-K24 HydrophobicContact CZ-CD 3.15Å; C20-K24 WeakPolarHBondContact O-CB 3.39Å; C20-K24 PolarHBondContact O-N 2.87Å; F21-K24 PolarHBondContact O-N 3.06Å
25F85.1Confident85.5Confident20 Ų2065.4 Ų65.49%0.08833%0.328CS..THydrogen-bonded Turntrans-110.328.5-175.6-58.8-72.8000113.4F2 F21 W27 C28 I59F2-F25 HydrophobicContact CD2-CE2 4.27Å; F2-F25 HydrophobicContact CG-CE2 4.26Å; F21-F25 AromaticContact CD2-CD2 3.42Å; F21-F25 HydrophobicContact CD2-CD2 3.42Å; F21-F25 VanDerWaalsContact CD2-CD2 3.42Å; F21-F25 AromaticContact CD2-CE2 3.62Å; F21-F25 HydrophobicContact CD2-CE2 3.62Å; F21-F25 AromaticContact CE2-CD2 3.32Å; F21-F25 HydrophobicContact CE2-CD2 3.32Å; F21-F25 AromaticContact CE2-CE2 3.6Å; F21-F25 HydrophobicContact CE2-CE2 3.6Å; F21-F25 HydrophobicContact CE2-CG 4.26Å; F21-F25 HydrophobicContact CG-CD2 4.27Å; F21-F25 HydrophobicContact CZ-CD2 4.13Å; F21-F25 VanDerWaalsContact O-CD2 3.31Å; F21-F25 WeakPolarHBondContact O-CD2 3.42Å; F21-F25 PolarHBondContact O-N 2.81Å; F21-F25 VanDerWaalsContact O-N 3.09Å; F25-W27 HydrophobicContact CD1-CZ2 4.38Å; F25-W27 AromaticContact CD1-NE1 4Å; F25-W27 PolarHBondContact O-N 3.04Å; F25-W27 VanDerWaalsContact O-N 3.15Å; F25-C28 PolarHBondContact O-N 2.89Å; F25-I59 HydrophobicContact CB-CD1 3.93Å; F25-I59 HydrophobicContact CB-CG1 4.5Å; F25-I59 HydrophobicContact CD1-CB 4.46Å; F25-I59 HydrophobicContact CD1-CD1 3.96Å; F25-I59 HydrophobicContact CD1-CG1 3.76Å; F25-I59 HydrophobicContact CD1-CG2 4.06Å; F25-I59 HydrophobicContact CD2-CD1 4.41Å; F25-I59 HydrophobicContact CD2-CG1 4.12Å; F25-I59 HydrophobicContact CE1-CB 4.3Å; F25-I59 HydrophobicContact CE1-CG1 3.9Å; F25-I59 HydrophobicContact CE1-CG2 3.99Å; F25-I59 HydrophobicContact CE2-CG1 4.25Å; F25-I59 HydrophobicContact CG-CD1 3.85Å; F25-I59 HydrophobicContact CG-CG1 3.87Å; F25-I59 HydrophobicContact CZ-CG1 4.13Å
26S83.1Confident85.6Confident81 Ų8164.6 Ų64.657%0.56632%0.32SS*.G310 helixtrans-56.7-29.5179.853.40000114.2K22 E23 C28 W29K22-S26 PolarHBondContact O-N 3.47Å; E23-S26 PolarHBondContact O-OG 3.37Å; S26-C28 VanDerWaalsContact C-N 3.3Å; S26-C28 PolarHBondContact O-N 3.4Å; S26-W29 PolarHBondContact O-N 3.48Å
27W82.6Confident85.8Confident161 Ų16160.3 Ų60.361%0.6131%0.306SS*.G310 helixtrans-67.6-19.6-178.360.1-90.1000114.9F25 I59F25-W27 HydrophobicContact CD1-CZ2 4.38Å; F25-W27 AromaticContact CD1-NE1 4Å; F25-W27 PolarHBondContact O-N 3.04Å; F25-W27 VanDerWaalsContact O-N 3.15Å; W27-I59 HydrophobicContact CZ2-CG2 4.28Å
28C82.1Confident85.8Confident14 Ų1459.1 Ų59.110%0.09530%0.3CS..G310 helixtrans-125.420.1177.559.30000113.4F25 S26 S30 N31 V32F25-C28 PolarHBondContact O-N 2.89Å; S26-C28 VanDerWaalsContact C-N 3.3Å; S26-C28 PolarHBondContact O-N 3.4Å; C28-S30 VanDerWaalsContact C-N 3.26Å; C28-S30 PolarHBondContact O-N 3.47Å; C28-S30 VanDerWaalsContact O-N 3.14Å; C28-N31 PolarHBondContact O-N 2.9Å; C28-V32 PolarHBondContact O-N 2.95Å
29W86.4Confident85.8Confident51 Ų5158.2 Ų58.219%0.19330%0.296CS..Hα-helixtrans-59.6-31.2-168.8-168.9-108.9000114.3F18 F21 K22 S26 N31 V32 V33F18-W29 HydrophobicContact CE1-CH2 4.24Å; F18-W29 HydrophobicContact CE1-CZ2 4.38Å; F18-W29 AromaticContact CE2-CH2 3.9Å; F18-W29 HydrophobicContact CE2-CH2 3.9Å; F18-W29 AromaticContact CZ-CH2 3.53Å; F18-W29 HydrophobicContact CZ-CH2 3.53Å; F18-W29 AromaticContact CZ-CZ2 3.86Å; F18-W29 HydrophobicContact CZ-CZ2 3.86Å; F21-W29 HydrophobicContact CD1-CH2 4.47Å; F21-W29 HydrophobicContact CD1-CZ3 4.03Å; F21-W29 AromaticContact CE1-CZ3 3.92Å; F21-W29 HydrophobicContact CE1-CZ3 3.92Å; K22-W29 HydrophobicContact CB-CE3 4.32Å; K22-W29 HydrophobicContact CB-CH2 3.62Å; K22-W29 HydrophobicContact CB-CZ2 4.16Å; K22-W29 HydrophobicContact CB-CZ3 3.72Å; K22-W29 HydrophobicContact CD-CH2 3.89Å; K22-W29 HydrophobicContact CD-CZ2 3.52Å; K22-W29 HydrophobicContact CG-CD2 3.96Å; K22-W29 HydrophobicContact CG-CE3 3.93Å; K22-W29 HydrophobicContact CG-CH2 3.58Å; K22-W29 HydrophobicContact CG-CZ2 3.62Å; K22-W29 HydrophobicContact CG-CZ3 3.75Å; S26-W29 PolarHBondContact O-N 3.48Å; W29-N31 PolarHBondContact O-N 3.07Å; W29-V32 HydrophobicContact CE3-CB 4.23Å; W29-V32 HydrophobicContact CE3-CG1 4.01Å; W29-V32 HydrophobicContact CH2-CG1 4.41Å; W29-V32 HydrophobicContact CZ3-CG1 3.81Å; W29-V32 PolarHBondContact O-N 2.89Å; W29-V33 HydrophobicContact CD2-CG2 4.29Å; W29-V33 HydrophobicContact CG-CG2 4.29Å; W29-V33 HydrophobicContact CZ2-CG2 4.22Å; W29-V33 VanDerWaalsContact NE1-CG2 3.3Å; W29-V33 VanDerWaalsContact O-CG2 3.26Å; W29-V33 WeakPolarHBondContact O-CG2 3.47Å; W29-V33 PolarHBondContact O-N 2.89Å
30S80.9Confident86.1Confident81 Ų8155.7 Ų55.757%0.56628%0.283SS*.Hα-helixtrans-58-45.4177.654.90000112.6C28 V33 E34C28-S30 VanDerWaalsContact C-N 3.26Å; C28-S30 PolarHBondContact O-N 3.47Å; C28-S30 VanDerWaalsContact O-N 3.14Å; S30-V33 PolarHBondContact O-N 3.44Å; S30-E34 PolarHBondContact O-N 2.86Å
31N82.4Confident86.4Confident60 Ų6058.3 Ų58.332%0.32129%0.288SS..Hα-helixtrans-75.5-33.3-177.7-59.2-3.8000111C28 W29 V33 E34 V35 L62C28-N31 PolarHBondContact O-N 2.9Å; W29-N31 PolarHBondContact O-N 3.07Å; N31-V33 VanDerWaalsContact C-N 3.34Å; N31-E34 PolarHBondContact O-N 3.39Å; N31-V35 PolarHBondContact O-N 3.2Å; N31-L62 HydrophobicContact CB-CD2 4.18Å
32V86Confident86.5Confident0 Ų058.7 Ų58.70%029%0.29CS..Hα-helixtrans-62.9-42.7174174.20000110.5F21 C28 W29 V35 L36 L58 I59 L62F21-V32 HydrophobicContact CE1-CG1 3.89Å; F21-V32 HydrophobicContact CZ-CG1 4.26Å; C28-V32 PolarHBondContact O-N 2.95Å; W29-V32 HydrophobicContact CE3-CB 4.23Å; W29-V32 HydrophobicContact CE3-CG1 4.01Å; W29-V32 HydrophobicContact CH2-CG1 4.41Å; W29-V32 HydrophobicContact CZ3-CG1 3.81Å; W29-V32 PolarHBondContact O-N 2.89Å; V32-V35 PolarHBondContact O-N 3.41Å; V32-L36 HydrophobicContact CG1-CD1 3.68Å; V32-L36 HydrophobicContact CG1-CG 4.22Å; V32-L36 WeakPolarHBondContact O-CB 3.44Å; V32-L36 WeakPolarHBondContact O-CG 3.41Å; V32-L36 PolarHBondContact O-N 2.91Å; V32-L58 HydrophobicContact CG1-CD2 4.2Å; V32-I59 HydrophobicContact CG2-CD1 3.7Å; V32-L62 HydrophobicContact CB-CD1 4.47Å; V32-L62 HydrophobicContact CG2-CD1 3.6Å
33V86.8Confident86.8Confident51 Ų5154.1 Ų54.131%0.30927%0.27SS..Hα-helixtrans-61.6-44.9178.5170.40000111.6W29 S30 N31 V35 L36 D37W29-V33 HydrophobicContact CD2-CG2 4.29Å; W29-V33 HydrophobicContact CG-CG2 4.29Å; W29-V33 HydrophobicContact CZ2-CG2 4.22Å; W29-V33 VanDerWaalsContact NE1-CG2 3.3Å; W29-V33 VanDerWaalsContact O-CG2 3.26Å; W29-V33 WeakPolarHBondContact O-CG2 3.47Å; W29-V33 PolarHBondContact O-N 2.89Å; S30-V33 PolarHBondContact O-N 3.44Å; N31-V33 VanDerWaalsContact C-N 3.34Å; V33-V35 PolarHBondContact O-N 2.94Å; V33-L36 PolarHBondContact O-N 3.45Å; V33-D37 WeakPolarHBondContact O-CB 3.27Å; V33-D37 PolarHBondContact O-N 3.11Å
34E84.9Confident87.1Confident112 Ų11251.7 Ų51.752%0.52325%0.254SS..Hα-helixtrans-61.1-44.5179.1-68.9-177.5174.200112.5S30 N31 L36 D37 D38S30-E34 PolarHBondContact O-N 2.86Å; N31-E34 PolarHBondContact O-N 3.39Å; E34-L36 PolarHBondContact O-N 3.03Å; E34-D37 PolarHBondContact O-N 3.19Å; E34-D38 PolarHBondContact O-N 2.76Å
35V87.1Confident87.4Confident0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-64.5-41176.1176.80000111.6N31 V32 V33 D37 D38 L39 L58 L62 Y67 L73 L78 L81N31-V35 PolarHBondContact O-N 3.2Å; V32-V35 PolarHBondContact O-N 3.41Å; V33-V35 PolarHBondContact O-N 2.94Å; V35-D37 VanDerWaalsContact C-N 3.33Å; V35-D38 PolarHBondContact O-N 3.17Å; V35-L39 VanDerWaalsContact O-CB 3.28Å; V35-L39 WeakPolarHBondContact O-CB 3.35Å; V35-L39 PolarHBondContact O-N 2.83Å; V35-L58 HydrophobicContact CB-CD1 4.26Å; V35-L58 HydrophobicContact CG1-CD1 3.61Å; V35-L62 HydrophobicContact CG2-CD2 3.88Å; V35-Y67 HydrophobicContact CG2-CD2 4.28Å; V35-Y67 HydrophobicContact CG2-CE1 4.22Å; V35-Y67 HydrophobicContact CG2-CE2 3.34Å; V35-Y67 WeakPolarHBondContact CG2-OH 3.48Å; V35-L73 HydrophobicContact CG1-CD1 4.03Å; V35-L73 HydrophobicContact CG2-CD1 4.08Å; V35-L78 HydrophobicContact CG1-CD2 4.16Å; V35-L81 HydrophobicContact CG1-CD1 3.77Å
36L88.9Confident87.7Confident5 Ų548.8 Ų48.83%0.02624%0.242CC..Hα-helixtrans-69.1-32.7178.7-69177.5000111.9F4 I11 F18 V32 V33 E34 L39 T40 L58F4-L36 HydrophobicContact CE2-CD2 4.15Å; F4-L36 HydrophobicContact CZ-CD1 4.18Å; F4-L36 HydrophobicContact CZ-CD2 3.78Å; I11-L36 HydrophobicContact CD1-CB 4.14Å; I11-L36 HydrophobicContact CD1-CD1 4.13Å; I11-L36 HydrophobicContact CD1-CD2 4.37Å; I11-L36 HydrophobicContact CD1-CG 4.44Å; F18-L36 HydrophobicContact CE2-CD1 4.12Å; V32-L36 HydrophobicContact CG1-CD1 3.68Å; V32-L36 HydrophobicContact CG1-CG 4.22Å; V32-L36 WeakPolarHBondContact O-CB 3.44Å; V32-L36 WeakPolarHBondContact O-CG 3.41Å; V32-L36 PolarHBondContact O-N 2.91Å; V33-L36 PolarHBondContact O-N 3.45Å; E34-L36 PolarHBondContact O-N 3.03Å; L36-L39 HydrophobicContact CD2-CD2 4.42Å; L36-L39 PolarHBondContact O-N 3.2Å; L36-T40 VanDerWaalsContact O-CB 3.24Å; L36-T40 WeakPolarHBondContact O-CB 3.36Å; L36-T40 WeakPolarHBondContact O-CG2 3.5Å; L36-T40 PolarHBondContact O-N 3.27Å; L36-T40 PolarHBondContact O-OG1 3.4Å; L36-L58 HydrophobicContact CD2-CD2 4.08Å; L36-L58 HydrophobicContact CG-CD2 4.45Å
37D89Confident88.1Confident97 Ų9746.8 Ų46.852%0.51923%0.231SC..Hα-helixtrans-65.9-44.8172.6-79.7-14.8000111.3V33 E34 V35 T40 K41V33-D37 WeakPolarHBondContact O-CB 3.27Å; V33-D37 PolarHBondContact O-N 3.11Å; E34-D37 PolarHBondContact O-N 3.19Å; V35-D37 VanDerWaalsContact C-N 3.33Å; D37-T40 WeakPolarHBondContact CA-OG1 3.43Å; D37-T40 PolarHBondContact O-OG1 3.12Å; D37-T40 VanDerWaalsContact O-OG1 3.09Å; D37-K41 WeakPolarHBondContact O-CB 3.47Å; D37-K41 PolarHBondContact O-N 3.07Å
38D88.1Confident88.6Confident32 Ų3239.3 Ų39.317%0.17120%0.203CC..Hα-helixtrans-62.1-44.7174-90.4-7.5000112.4E34 V35 L42 T72 L73 L78E34-D38 PolarHBondContact O-N 2.76Å; V35-D38 PolarHBondContact O-N 3.17Å; D38-L42 WeakPolarHBondContact O-CB 3.48Å; D38-L42 PolarHBondContact O-N 3.36Å; D38-T72 VanDerWaalsContact OD2-CA 3.25Å; D38-T72 WeakPolarHBondContact OD2-CA 3.48Å; D38-T72 WeakPolarHBondContact OD2-CB 3.37Å; D38-T72 WeakPolarHBondContact OD2-CG2 3.31Å; D38-L73 PolarHBondContact OD2-N 2.8Å; D38-L78 HydrophobicContact CB-CD1 4.21Å; D38-L78 HydrophobicContact CB-CD2 4.34Å
39L90.3Very high89Confident0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-66.1-47.8179-178.460.4000111I6 V35 L36 K41 L42 L43 V53 L78 L81 L82I6-L39 HydrophobicContact CD1-CD2 4.02Å; I6-L39 HydrophobicContact CD1-CG 4.34Å; V35-L39 VanDerWaalsContact O-CB 3.28Å; V35-L39 WeakPolarHBondContact O-CB 3.35Å; V35-L39 PolarHBondContact O-N 2.83Å; L36-L39 HydrophobicContact CD2-CD2 4.42Å; L36-L39 PolarHBondContact O-N 3.2Å; L39-K41 PolarHBondContact O-N 3.32Å; L39-L42 PolarHBondContact O-N 3.16Å; L39-L43 HydrophobicContact CD1-CD1 4.29Å; L39-L43 HydrophobicContact CD1-CG 4.32Å; L39-L43 HydrophobicContact CG-CD1 4.08Å; L39-L43 VanDerWaalsContact O-CG 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 2.8Å; L39-V53 HydrophobicContact CD2-CG2 3.94Å; L39-L78 HydrophobicContact CB-CD2 4.24Å; L39-L78 HydrophobicContact CD1-CB 4.07Å; L39-L78 WeakPolarHBondContact CD1-O 3.01Å; L39-L81 HydrophobicContact CD2-CD1 4.49Å; L39-L82 HydrophobicContact CD1-CD2 4.42Å; L39-L82 HydrophobicContact CD2-CD2 4.23Å
40T92.1Very high89.3Confident5 Ų543.4 Ų43.43%0.03123%0.232CC..Hα-helixtrans-64.3-41.6178.955.50000111.3I6 G9 I11 L36 D37 L42 L43 R44I6-T40 HydrophobicContact CD1-CG2 4.04Å; I6-T40 HydrophobicContact CG2-CG2 4.19Å; G9-T40 WeakPolarHBondContact O-CB 3.29Å; I11-T40 HydrophobicContact CD1-CG2 3.82Å; I11-T40 HydrophobicContact CG1-CG2 4.02Å; L36-T40 VanDerWaalsContact O-CB 3.24Å; L36-T40 WeakPolarHBondContact O-CB 3.36Å; L36-T40 WeakPolarHBondContact O-CG2 3.5Å; L36-T40 PolarHBondContact O-N 3.27Å; L36-T40 PolarHBondContact O-OG1 3.4Å; D37-T40 WeakPolarHBondContact CA-OG1 3.43Å; D37-T40 PolarHBondContact O-OG1 3.12Å; D37-T40 VanDerWaalsContact O-OG1 3.09Å; T40-L42 PolarHBondContact O-N 3.02Å; T40-L43 PolarHBondContact O-N 3.15Å; T40-R44 VanDerWaalsContact O-CG 3.27Å; T40-R44 WeakPolarHBondContact O-CG 3.43Å; T40-R44 PolarHBondContact O-N 3Å
41K91.6Very high89.9Confident115 Ų11539.6 Ų39.650%0.521%0.205SC..Hα-helixtrans-58.5-47172.6-178.6179.9178.1-178.50111.6D37 L39 L43 R44 E45D37-K41 WeakPolarHBondContact O-CB 3.47Å; D37-K41 PolarHBondContact O-N 3.07Å; L39-K41 PolarHBondContact O-N 3.32Å; K41-L43 PolarHBondContact O-N 3.04Å; K41-R44 PolarHBondContact O-N 3.27Å; K41-E45 WeakPolarHBondContact O-CG 3.18Å; K41-E45 PolarHBondContact O-N 3.26Å
42L90.9Very high90.3Very high8 Ų841.2 Ų41.24%0.04221%0.21CC..Hα-helixtrans-60.3-44.7177-176.466.3000111.6D38 L39 T40 R44 E45 F46 K75 L78 F79D38-L42 WeakPolarHBondContact O-CB 3.48Å; D38-L42 PolarHBondContact O-N 3.36Å; L39-L42 PolarHBondContact O-N 3.16Å; T40-L42 PolarHBondContact O-N 3.02Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 3.48Å; L42-E45 PolarHBondContact O-N 2.86Å; L42-F46 HydrophobicContact CD1-CD2 3.9Å; L42-F46 HydrophobicContact CD1-CE2 3.66Å; L42-F46 HydrophobicContact CG-CD2 4.47Å; L42-F46 WeakPolarHBondContact O-CD2 3.17Å; L42-F46 PolarHBondContact O-N 2.85Å; L42-K75 HydrophobicContact CD1-CD 3.79Å; L42-K75 HydrophobicContact CD1-CG 3.93Å; L42-K75 HydrophobicContact CD2-CB 4.31Å; L42-K75 HydrophobicContact CD2-CG 4.25Å; L42-L78 HydrophobicContact CD2-CB 3.87Å; L42-L78 HydrophobicContact CD2-CD1 3.87Å; L42-F79 HydrophobicContact CD1-CZ 4.49Å; L42-F79 HydrophobicContact CD2-CD1 4.49Å; L42-F79 HydrophobicContact CD2-CE1 3.92Å; L42-F79 HydrophobicContact CD2-CE2 4.03Å; L42-F79 HydrophobicContact CD2-CZ 3.66Å; L42-F79 HydrophobicContact CG-CE1 4.4Å; L42-F79 HydrophobicContact CG-CZ 4.07Å
43L92.7Very high90.6Very high1 Ų141.2 Ų41.21%0.00521%0.21CC..Hα-helixtrans-64.9-36.4178.3-66.4172.8000112.1I6 L39 T40 K41 A47 V48 A51 L82 V88I6-L43 HydrophobicContact CB-CD1 4.21Å; I6-L43 HydrophobicContact CD1-CD1 3.93Å; I6-L43 HydrophobicContact CG2-CD1 3.95Å; L39-L43 HydrophobicContact CD1-CD1 4.29Å; L39-L43 HydrophobicContact CD1-CG 4.32Å; L39-L43 HydrophobicContact CG-CD1 4.08Å; L39-L43 VanDerWaalsContact O-CG 3.22Å; L39-L43 WeakPolarHBondContact O-CG 3.4Å; L39-L43 PolarHBondContact O-N 2.8Å; T40-L43 PolarHBondContact O-N 3.15Å; K41-L43 PolarHBondContact O-N 3.04Å; L43-A47 PolarHBondContact O-N 2.75Å; L43-A47 VanDerWaalsContact O-N 3.11Å; L43-V48 HydrophobicContact CB-CB 4.24Å; L43-V48 HydrophobicContact CD2-CB 3.77Å; L43-V48 HydrophobicContact CD2-CG1 3.9Å; L43-V48 HydrophobicContact CD2-CG2 3.75Å; L43-V48 PolarHBondContact O-N 2.79Å; L43-A51 HydrophobicContact CD1-CB 3.65Å; L43-A51 HydrophobicContact CD2-CB 4.05Å; L43-L82 HydrophobicContact CD2-CD1 4.33Å; L43-V88 HydrophobicContact CD2-CG1 4.22Å
44R92.6Very high90.9Very high90 Ų9040.7 Ų40.734%0.3421%0.205SC..Hα-helixtrans-67-43.7172.9-69.6176.2-151.316711.2112.3G9 T40 K41 L42 F46 A47 G101 E102G9-R44 PolarHBondContact O-NE 3.34Å; G9-R44 PolarHBondContact O-NH2 3.45Å; T40-R44 VanDerWaalsContact O-CG 3.27Å; T40-R44 WeakPolarHBondContact O-CG 3.43Å; T40-R44 PolarHBondContact O-N 3Å; K41-R44 PolarHBondContact O-N 3.27Å; L42-R44 VanDerWaalsContact C-N 3.34Å; L42-R44 PolarHBondContact O-N 3.48Å; R44-F46 PolarHBondContact O-N 2.92Å; R44-A47 PolarHBondContact O-N 2.87Å; R44-A47 VanDerWaalsContact O-N 3.11Å; R44-G101 CarbonylContact O-C 3.56Å; R44-G101 WeakPolarHBondContact O-CA 3.3Å; R44-E102 HydrophobicContact CB-CB 4.23Å; R44-E102 WeakPolarHBondContact CB-OE2 3.44Å; R44-E102 WeakPolarHBondContact CD-OE2 2.98Å; R44-E102 PolarHBondContact O-N 3.36Å
45E92.1Very high90.9Very high39 Ų3935.3 Ų35.318%0.18218%0.18CC..Hα-helixtrans-59-30.4178-79.7-169.8-161.300112.9K41 L42 R98 G101K41-E45 WeakPolarHBondContact O-CG 3.18Å; K41-E45 PolarHBondContact O-N 3.26Å; L42-E45 PolarHBondContact O-N 2.86Å; E45-R98 WeakPolarHBondContact O-CD 3.38Å; E45-R98 PolarHBondContact O-NH1 3.4Å; E45-R98 VanDerWaalsContact O-O 3.13Å; E45-R98 IonicContact OE1-NH2 2.93Å; E45-R98 IonicContact OE2-CZ 2.71Å; E45-R98 IonicContact OE2-NE 3.39Å; E45-R98 PolarHBondContact OE2-NE 3.27Å; E45-R98 IonicContact OE2-NH2 3.89Å; E45-R98 PolarHBondContact OE2-NH2 2.85Å; E45-G101 WeakPolarHBondContact O-CA 3.49Å
46F91.8Very high90.9Very high21 Ų2139 Ų399%0.09220%0.197CC..THydrogen-bonded Turntrans-103.98.1178.6-74.2-91.4000114.1L42 R44 V48 V92 Q97 R98L42-F46 HydrophobicContact CD1-CD2 3.9Å; L42-F46 HydrophobicContact CD1-CE2 3.66Å; L42-F46 HydrophobicContact CG-CD2 4.47Å; L42-F46 WeakPolarHBondContact O-CD2 3.17Å; L42-F46 PolarHBondContact O-N 2.85Å; R44-F46 PolarHBondContact O-N 2.92Å; F46-V48 VanDerWaalsContact C-N 3.28Å; F46-V48 HydrophobicContact CB-CG2 4.07Å; F46-V48 PolarHBondContact O-N 3.08Å; F46-V92 HydrophobicContact CB-CG2 3.94Å; F46-V92 HydrophobicContact CD1-CB 4.19Å; F46-V92 HydrophobicContact CD1-CG1 3.71Å; F46-V92 HydrophobicContact CD1-CG2 4.1Å; F46-V92 HydrophobicContact CE1-CG1 3.67Å; F46-V92 HydrophobicContact CG-CG1 4.23Å; F46-V92 HydrophobicContact CG-CG2 4.04Å; F46-V92 HydrophobicContact CZ-CG1 4.17Å; F46-Q97 WeakPolarHBondContact O-CG 3.33Å; F46-Q97 PolarHBondContact O-NE2 2.87Å; F46-R98 HydrophobicContact CD1-CB 4.09Å; F46-R98 HydrophobicContact CE1-CB 3.77Å; F46-R98 HydrophobicContact CE1-CG 4.34Å; F46-R98 HydrophobicContact CZ-CB 4.33Å; F46-R98 HydrophobicContact CZ-CG 4.42Å
47A91.8Very high90.8Very high40 Ų4042.7 Ų42.733%0.33121%0.211SC..THydrogen-bonded Turntrans4946.3-17800000113.2L43 R44 P49 R100L43-A47 PolarHBondContact O-N 2.75Å; L43-A47 VanDerWaalsContact O-N 3.11Å; R44-A47 PolarHBondContact O-N 2.87Å; R44-A47 VanDerWaalsContact O-N 3.11Å; A47-P49 WeakPolarHBondContact O-CD 3.26Å; A47-R100 HydrophobicContact CB-CB 4.15Å
48V92.8Very high90.7Very high4 Ų438.1 Ų38.12%0.02419%0.187CC..  trans-74.9122.2178.6-178.30000109.1K8 L43 F46 V88 L91 V92K8-V48 WeakPolarHBondContact CA-O 3.31Å; L43-V48 HydrophobicContact CB-CB 4.24Å; L43-V48 HydrophobicContact CD2-CB 3.77Å; L43-V48 HydrophobicContact CD2-CG1 3.9Å; L43-V48 HydrophobicContact CD2-CG2 3.75Å; L43-V48 PolarHBondContact O-N 2.79Å; F46-V48 VanDerWaalsContact C-N 3.28Å; F46-V48 HydrophobicContact CB-CG2 4.07Å; F46-V48 PolarHBondContact O-N 3.08Å; V48-V88 HydrophobicContact CG1-CG1 4.03Å; V48-V88 HydrophobicContact CG1-CG2 3.98Å; V48-V88 HydrophobicContact CG2-CG1 4.11Å; V48-L91 HydrophobicContact CG2-CD2 4.44Å; V48-V92 HydrophobicContact CG2-CG2 4.13Å
49P90.3Very high90.6Very high78 Ų7837.1 Ų37.151%0.50618%0.181SC..SBendtrans-74.1-36.1-173.327.6-33.7000113.1K8 A47 L91K8-P49 PolarHBondContact N-O 2.92Å; A47-P49 WeakPolarHBondContact O-CD 3.26Å; P49-L91 VanDerWaalsContact CD-CD2 3.49Å; P49-L91 HydrophobicContact CG-CD2 4.43Å
50L92Very high90.4Very high73 Ų7341.8 Ų41.838%0.38220%0.203SC..EExtended strand (participates in β ladder)trans-149.1131.7-178.1-175.674.5000109.9I6 V7 N84I6-L50 WeakPolarHBondContact O-CA 3.18Å; V7-L50 HydrophobicContact CG2-CD1 3.87Å; L50-N84 PolarHBondContact O-ND2 2.83Å
51A93.1Very high89.9Confident1 Ų142.3 Ų42.31%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-133134.3170.500000109.4I6 L43 L82I6-A51 HydrophobicContact CB-CB 4.39Å; I6-A51 PolarHBondContact N-O 3.44Å; I6-A51 PolarHBondContact O-N 3.3Å; L43-A51 HydrophobicContact CD1-CB 3.65Å; L43-A51 HydrophobicContact CD2-CB 4.05Å; A51-L82 HydrophobicContact CB-CD1 4.2Å; A51-L82 HydrophobicContact CB-CD2 3.89Å
52K92.3Very high89.3Confident94 Ų9438 Ų3841%0.40919%0.188SC..EExtended strand (participates in β ladder)trans-102.9120.3175.1-65.8-174.7175.3179.70108.1T5 L82 E83 N84T5-K52 HydrophobicContact CG2-CG 4.09Å; K52-L82 CarbonylContact O-C 3.47Å; K52-L82 WeakPolarHBondContact O-CA 3.2Å; K52-E83 HydrophobicContact CB-CB 4.08Å; K52-E83 PolarHBondContact O-N 3.45Å; K52-N84 PolarHBondContact N-OD1 2.74Å
53V92.6Very high88.5Confident0 Ų046.9 Ų46.90%022%0.221CC..EExtended strand (participates in β ladder)trans-96.8131.4-177-177.40000109.2P3 F4 I6 L39 G55 L58 L82P3-V53 WeakPolarHBondContact CA-O 3.19Å; F4-V53 HydrophobicContact CD2-CB 4.38Å; F4-V53 HydrophobicContact CE1-CB 4.12Å; F4-V53 HydrophobicContact CE1-CG1 4.01Å; F4-V53 HydrophobicContact CE2-CB 3.97Å; F4-V53 HydrophobicContact CE2-CG1 4.34Å; F4-V53 HydrophobicContact CE2-CG2 4.02Å; F4-V53 HydrophobicContact CZ-CB 3.83Å; F4-V53 HydrophobicContact CZ-CG1 3.75Å; F4-V53 HydrophobicContact CZ-CG2 4.25Å; F4-V53 PolarHBondContact N-O 3.1Å; F4-V53 PolarHBondContact O-N 2.88Å; I6-V53 HydrophobicContact CD1-CG2 3.56Å; I6-V53 HydrophobicContact CG1-CG2 3.83Å; L39-V53 HydrophobicContact CD2-CG2 3.94Å; V53-G55 PolarHBondContact O-N 3.44Å; V53-L58 HydrophobicContact CG1-CD2 4.49Å; V53-L82 HydrophobicContact CG2-CD2 3.93Å
54D91.3Very high87.3Confident39 Ų3954 Ų5421%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-80.699.8168.3-173.7-21.4000108.9E56 Y57 L58 L81 E83D54-E56 VanDerWaalsContact C-N 3.31Å; D54-E56 PolarHBondContact O-N 3.15Å; D54-E56 PolarHBondContact OD1-N 3.3Å; D54-Y57 VanDerWaalsContact CG-CB 3.48Å; D54-Y57 PolarHBondContact OD1-N 3.15Å; D54-L58 WeakPolarHBondContact O-CB 3.1Å; D54-L58 PolarHBondContact O-N 3.02Å; D54-L81 PolarHBondContact N-O 2.87Å; D54-E83 HydrophobicContact CB-CG 3.93Å
55G86.4Confident85.7Confident0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-66.4-28-17900000113.9F2 F21 V53 I59F2-G55 WeakPolarHBondContact O-CA 3.22Å; F2-G55 PolarHBondContact O-N 3.07Å; F21-G55 VanDerWaalsContact CE2-O 3.31Å; F21-G55 WeakPolarHBondContact CE2-O 3.34Å; V53-G55 PolarHBondContact O-N 3.44Å; G55-I59 VanDerWaalsContact O-CG1 3.3Å; G55-I59 WeakPolarHBondContact O-CG1 3.43Å; G55-I59 PolarHBondContact O-N 3.13Å
56E85.6Confident83.9Confident77 Ų7756.5 Ų56.536%0.3628%0.279SS..Hα-helixtrans-76.6-43.7178.8-75.6176.5170.900110.4M1 F2 D54 L58 I59 E60M1-E56 VanDerWaalsContact CA-CD 3.42Å; M1-E56 WeakPolarHBondContact CA-OE1 3.41Å; M1-E56 WeakPolarHBondContact CA-OE2 3.37Å; M1-E56 PolarHBondContact N-OE1 2.98Å; M1-E56 PolarHBondContact N-OE2 3.47Å; F2-E56 HydrophobicContact CD2-CG 4.03Å; F2-E56 VanDerWaalsContact CD2-OE1 3.28Å; F2-E56 WeakPolarHBondContact CD2-OE1 3.35Å; F2-E56 WeakPolarHBondContact CE2-OE1 3.4Å; D54-E56 VanDerWaalsContact C-N 3.31Å; D54-E56 PolarHBondContact O-N 3.15Å; D54-E56 PolarHBondContact OD1-N 3.3Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.04Å; E56-I59 PolarHBondContact O-N 2.98Å; E56-I59 VanDerWaalsContact O-N 3.17Å; E56-E60 PolarHBondContact O-N 3.37Å
57Y86.8Confident82.1Confident83 Ų8356.3 Ų56.333%0.32528%0.278SS..Hα-helixtrans-64.3-34.7174.9-173.2-117000112.6D54 I59 E60 L61 S80 L81D54-Y57 VanDerWaalsContact CG-CB 3.48Å; D54-Y57 PolarHBondContact OD1-N 3.15Å; Y57-I59 VanDerWaalsContact C-N 3.31Å; Y57-I59 PolarHBondContact O-N 2.95Å; Y57-E60 PolarHBondContact O-N 2.85Å; Y57-L61 HydrophobicContact CE1-CD1 4.19Å; Y57-L61 VanDerWaalsContact O-CB 3.28Å; Y57-L61 WeakPolarHBondContact O-CB 3.25Å; Y57-L61 PolarHBondContact O-N 3.01Å; Y57-S80 WeakPolarHBondContact CE1-O 3.42Å; Y57-L81 HydrophobicContact CD1-CD2 4.09Å; Y57-L81 HydrophobicContact CE1-CD2 4.42Å
58L87.1Confident80.3Confident0 Ų059.8 Ų59.80%030%0.298CS..Hα-helixtrans-57.5-42.8172.2175.563.1000112.4F21 V32 V35 L36 V53 D54 E56 L62 L81F21-L58 HydrophobicContact CE1-CD2 4.41Å; F21-L58 HydrophobicContact CZ-CD2 3.97Å; V32-L58 HydrophobicContact CG1-CD2 4.2Å; V35-L58 HydrophobicContact CB-CD1 4.26Å; V35-L58 HydrophobicContact CG1-CD1 3.61Å; L36-L58 HydrophobicContact CD2-CD2 4.08Å; L36-L58 HydrophobicContact CG-CD2 4.45Å; V53-L58 HydrophobicContact CG1-CD2 4.49Å; D54-L58 WeakPolarHBondContact O-CB 3.1Å; D54-L58 PolarHBondContact O-N 3.02Å; E56-L58 VanDerWaalsContact C-N 3.31Å; E56-L58 PolarHBondContact O-N 3.04Å; L58-L62 HydrophobicContact CG-CD1 4.49Å; L58-L62 WeakPolarHBondContact O-CG 3.24Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-L62 VanDerWaalsContact O-N 3.13Å; L58-L81 HydrophobicContact CB-CD2 4.1Å; L58-L81 HydrophobicContact CD1-CD1 3.83Å; L58-L81 HydrophobicContact CD1-CD2 3.85Å; L58-L81 HydrophobicContact CD1-CG 4.45Å
59I87.1Confident78.3Confident11 Ų1170.5 Ų70.56%0.05634%0.338CS..Hα-helixtrans-74.7-36.9-179.5-61.9-65.6000111.3F21 F25 W27 V32 G55 E56 Y57 L62 R63F21-I59 HydrophobicContact CE2-CD1 4.47Å; F21-I59 HydrophobicContact CE2-CG1 4.12Å; F21-I59 HydrophobicContact CZ-CD1 4.18Å; F21-I59 HydrophobicContact CZ-CG1 4.26Å; F25-I59 HydrophobicContact CB-CD1 3.93Å; F25-I59 HydrophobicContact CB-CG1 4.5Å; F25-I59 HydrophobicContact CD1-CB 4.46Å; F25-I59 HydrophobicContact CD1-CD1 3.96Å; F25-I59 HydrophobicContact CD1-CG1 3.76Å; F25-I59 HydrophobicContact CD1-CG2 4.06Å; F25-I59 HydrophobicContact CD2-CD1 4.41Å; F25-I59 HydrophobicContact CD2-CG1 4.12Å; F25-I59 HydrophobicContact CE1-CB 4.3Å; F25-I59 HydrophobicContact CE1-CG1 3.9Å; F25-I59 HydrophobicContact CE1-CG2 3.99Å; F25-I59 HydrophobicContact CE2-CG1 4.25Å; F25-I59 HydrophobicContact CG-CD1 3.85Å; F25-I59 HydrophobicContact CG-CG1 3.87Å; F25-I59 HydrophobicContact CZ-CG1 4.13Å; W27-I59 HydrophobicContact CZ2-CG2 4.28Å; V32-I59 HydrophobicContact CG2-CD1 3.7Å; G55-I59 VanDerWaalsContact O-CG1 3.3Å; G55-I59 WeakPolarHBondContact O-CG1 3.43Å; G55-I59 PolarHBondContact O-N 3.13Å; E56-I59 PolarHBondContact O-N 2.98Å; E56-I59 VanDerWaalsContact O-N 3.17Å; Y57-I59 VanDerWaalsContact C-N 3.31Å; Y57-I59 PolarHBondContact O-N 2.95Å; I59-L62 HydrophobicContact CD1-CD1 4.44Å; I59-L62 PolarHBondContact O-N 3.38Å; I59-R63 PolarHBondContact O-N 3.38Å; I59-R63 VanDerWaalsContact O-N 3.12Å
60E84.7Confident76.8Confident99 Ų9974.9 Ų74.946%0.46335%0.345SS..Hα-helixtrans-61-46.1172.8-171.6172.7-156.400111.1E56 Y57 L62 R63 E64E56-E60 PolarHBondContact O-N 3.37Å; Y57-E60 PolarHBondContact O-N 2.85Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 3.47Å; E60-R63 WeakPolarHBondContact O-CA 3.44Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 2.84Å; E60-E64 PolarHBondContact O-N 3.33Å
61L81.6Confident75.4Confident16 Ų1681.3 Ų81.38%0.08437%0.37CS..Hα-helixtrans-63.6-34.5177.8-167.2128.8000112.5Y57 R63 S65 L73 T77 L81Y57-L61 HydrophobicContact CE1-CD1 4.19Å; Y57-L61 VanDerWaalsContact O-CB 3.28Å; Y57-L61 WeakPolarHBondContact O-CB 3.25Å; Y57-L61 PolarHBondContact O-N 3.01Å; L61-R63 VanDerWaalsContact C-N 3.31Å; L61-S65 VanDerWaalsContact O-CB 3.24Å; L61-S65 WeakPolarHBondContact O-CB 3.23Å; L61-S65 PolarHBondContact O-N 2.87Å; L61-S65 PolarHBondContact O-OG 3.22Å; L61-L73 HydrophobicContact CD2-CD1 4.19Å; L61-T77 HydrophobicContact CD1-CG2 3.82Å; L61-T77 HydrophobicContact CD2-CG2 4.01Å; L61-T77 HydrophobicContact CG-CG2 4.48Å; L61-L81 HydrophobicContact CB-CD2 4.43Å; L61-L81 HydrophobicContact CD1-CD2 4.35Å; L61-L81 HydrophobicContact CD2-CD2 4.43Å
62L79.1Confident74.3Confident25 Ų2585.5 Ų85.513%0.13140%0.395CS..Hα-helixtrans-71.3-22.6173.1-76.4171.9000113.5N31 V32 V35 L58 I59 E60 Y67N31-L62 HydrophobicContact CB-CD2 4.18Å; V32-L62 HydrophobicContact CB-CD1 4.47Å; V32-L62 HydrophobicContact CG2-CD1 3.6Å; V35-L62 HydrophobicContact CG2-CD2 3.88Å; L58-L62 HydrophobicContact CG-CD1 4.49Å; L58-L62 WeakPolarHBondContact O-CG 3.24Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-L62 VanDerWaalsContact O-N 3.13Å; I59-L62 HydrophobicContact CD1-CD1 4.44Å; I59-L62 PolarHBondContact O-N 3.38Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 3.47Å; L62-Y67 HydrophobicContact CD2-CD2 3.97Å; L62-Y67 HydrophobicContact CD2-CE2 4.35Å; L62-Y67 HydrophobicContact CD2-CG 4.07Å
63R75.3Confident73.7Confident193 Ų19382 Ų8273%0.72838%0.381SS*.Hα-helixtrans-82.8-35.9174.4-80177.9152.8-176-5.3112.8I59 E60 L61I59-R63 PolarHBondContact O-N 3.38Å; I59-R63 VanDerWaalsContact O-N 3.12Å; E60-R63 WeakPolarHBondContact O-CA 3.44Å; E60-R63 WeakPolarHBondContact O-CB 3.34Å; E60-R63 PolarHBondContact O-N 2.84Å; L61-R63 VanDerWaalsContact C-N 3.31Å
64E67.3Low73.4Confident150 Ų15084.9 Ų84.970%0.70140%0.399SS*.Hα-helixtrans-86.7-26.1-177.2-68.3-173.3159.300113.9E60E60-E64 PolarHBondContact O-N 3.33Å
65S59.1Low73.1Confident41 Ų4188 Ų8829%0.28741%0.411SS..SBendtrans-91136.6-178.464.70000112.1L61 Y67L61-S65 VanDerWaalsContact O-CB 3.24Å; L61-S65 WeakPolarHBondContact O-CB 3.23Å; L61-S65 PolarHBondContact O-N 2.87Å; L61-S65 PolarHBondContact O-OG 3.22Å; S65-Y67 PolarHBondContact O-N 2.84Å
66D53.9Low73.1Confident141 Ų14191.7 Ų91.775%0.75444%0.441SS*.  trans-67.155.8165.1-76.5-37000110.9C68 W69D66-C68 PolarHBondContact O-N 2.85Å; D66-C68 VanDerWaalsContact O-N 3.12Å; D66-W69 PolarHBondContact O-N 2.85Å
67Y53.5Low73.1Confident18 Ų1889.9 Ų89.97%0.07144%0.436CS..G310 helixtrans-59.9-24-177.3-157.8-86.3000111.8V35 L62 S65 W69 R70 L73V35-Y67 HydrophobicContact CG2-CD2 4.28Å; V35-Y67 HydrophobicContact CG2-CE1 4.22Å; V35-Y67 HydrophobicContact CG2-CE2 3.34Å; V35-Y67 WeakPolarHBondContact CG2-OH 3.48Å; L62-Y67 HydrophobicContact CD2-CD2 3.97Å; L62-Y67 HydrophobicContact CD2-CE2 4.35Å; L62-Y67 HydrophobicContact CD2-CG 4.07Å; S65-Y67 PolarHBondContact O-N 2.84Å; Y67-W69 PolarHBondContact O-N 3.15Å; Y67-R70 PolarHBondContact O-N 2.81Å; Y67-L73 HydrophobicContact CD2-CD1 4.43Å; Y67-L73 HydrophobicContact CD2-CD2 3.92Å; Y67-L73 HydrophobicContact CD2-CG 4.22Å; Y67-L73 HydrophobicContact CE2-CD1 3.64Å; Y67-L73 HydrophobicContact CE2-CD2 3.65Å; Y67-L73 HydrophobicContact CE2-CG 3.43Å; Y67-L73 VanDerWaalsContact CE2-CG 3.43Å
68C53.9Low73.1Confident113 Ų11386.2 Ų86.276%0.76442%0.422SS*.G310 helixtrans-57.2-12.9177.4-74.90000115.3D66D66-C68 PolarHBondContact O-N 2.85Å; D66-C68 VanDerWaalsContact O-N 3.12Å
69W52Low73.2Confident229 Ų22986.9 Ų86.987%0.86743%0.425SS*.G310 helixtrans-120.9-7.2-175.8-60.3101.7000116.4D66 Y67D66-W69 PolarHBondContact O-N 2.85Å; Y67-W69 PolarHBondContact O-N 3.15Å
70R57.3Low73.3Confident169 Ų16988.3 Ų88.364%0.63844%0.435SS*.  trans-116.5121.2179.1-72.1-169.7-170.3-161.45111.5Y67 T72Y67-R70 PolarHBondContact O-N 2.81Å; R70-T72 VanDerWaalsContact C-N 3.26Å; R70-T72 PolarHBondContact O-N 3.11Å
71K63.1Low73.5Confident209 Ų20983.6 Ų83.691%0.90941%0.413SS*.SBendtrans-65.6-17.5-179.2-73.8-172.4175-175.90115.7
72T70.5Confident73.9Confident88 Ų8883 Ų8354%0.5441%0.411SS..SBendtrans-155.2139.6178.7490000111D38 R70D38-T72 VanDerWaalsContact OD2-CA 3.25Å; D38-T72 WeakPolarHBondContact OD2-CA 3.48Å; D38-T72 WeakPolarHBondContact OD2-CB 3.37Å; D38-T72 WeakPolarHBondContact OD2-CG2 3.31Å; R70-T72 VanDerWaalsContact C-N 3.26Å; R70-T72 PolarHBondContact O-N 3.11Å
73L79.9Confident74.5Confident22 Ų2285.3 Ų85.312%0.11542%0.421CS..  trans-75.3148.9177-74.2174.7000113V35 D38 L61 Y67 T77 L78V35-L73 HydrophobicContact CG1-CD1 4.03Å; V35-L73 HydrophobicContact CG2-CD1 4.08Å; D38-L73 PolarHBondContact OD2-N 2.8Å; L61-L73 HydrophobicContact CD2-CD1 4.19Å; Y67-L73 HydrophobicContact CD2-CD1 4.43Å; Y67-L73 HydrophobicContact CD2-CD2 3.92Å; Y67-L73 HydrophobicContact CD2-CG 4.22Å; Y67-L73 HydrophobicContact CE2-CD1 3.64Å; Y67-L73 HydrophobicContact CE2-CD2 3.65Å; Y67-L73 HydrophobicContact CE2-CG 3.43Å; Y67-L73 VanDerWaalsContact CE2-CG 3.43Å; L73-T77 HydrophobicContact CD1-CG2 4.45Å; L73-T77 HydrophobicContact CD2-CG2 4.39Å; L73-L78 HydrophobicContact CB-CD1 4.43Å; L73-L78 HydrophobicContact CB-CD2 3.91Å; L73-L78 HydrophobicContact CB-CG 3.89Å; L73-L78 HydrophobicContact CD1-CD2 3.84Å; L73-L78 HydrophobicContact CG-CD2 4.5Å
74P85.8Confident75.3Confident59 Ų5977 Ų7738%0.38339%0.39SS..  trans-57.6142.7168.6-2132.5000111.7A76 T77 L78P74-A76 PolarHBondContact O-N 2.84Å; P74-A76 VanDerWaalsContact O-N 3.15Å; P74-T77 WeakPolarHBondContact O-CB 3.32Å; P74-T77 PolarHBondContact O-N 3.5Å; P74-L78 PolarHBondContact O-N 3.32Å; P74-L78 VanDerWaalsContact O-N 3.1Å
75K85.9Confident76.4Confident105 Ų10575.3 Ų75.346%0.45738%0.381SS..Hα-helixtrans-54.7-36.9179.7-65.7-174.9176.1-171.70113.3L42 T77 L78 F79L42-K75 HydrophobicContact CD1-CD 3.79Å; L42-K75 HydrophobicContact CD1-CG 3.93Å; L42-K75 HydrophobicContact CD2-CB 4.31Å; L42-K75 HydrophobicContact CD2-CG 4.25Å; K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 PolarHBondContact O-N 2.87Å; K75-L78 PolarHBondContact O-N 3.44Å; K75-F79 HydrophobicContact CB-CE2 4.2Å; K75-F79 WeakPolarHBondContact O-CD2 3.38Å; K75-F79 WeakPolarHBondContact O-CG 3.19Å; K75-F79 PolarHBondContact O-N 2.69Å
76A85.7Confident77.8Confident77 Ų7775.9 Ų75.964%0.63639%0.393SS*.Hα-helixtrans-61.4-40.3177.500000112.3P74 F79 S80P74-A76 PolarHBondContact O-N 2.84Å; P74-A76 VanDerWaalsContact O-N 3.15Å; A76-F79 PolarHBondContact O-N 3.32Å; A76-S80 PolarHBondContact O-N 2.9Å; A76-S80 VanDerWaalsContact O-N 3.16Å
77T85.8Confident79.6Confident40 Ų4075.6 Ų75.625%0.24539%0.387CS..Hα-helixtrans-71-35.1177.2-46.40000111.8L61 L73 P74 K75 S80L61-T77 HydrophobicContact CD1-CG2 3.82Å; L61-T77 HydrophobicContact CD2-CG2 4.01Å; L61-T77 HydrophobicContact CG-CG2 4.48Å; L73-T77 HydrophobicContact CD1-CG2 4.45Å; L73-T77 HydrophobicContact CD2-CG2 4.39Å; P74-T77 WeakPolarHBondContact O-CB 3.32Å; P74-T77 PolarHBondContact O-N 3.5Å; K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 PolarHBondContact O-N 2.87Å; T77-S80 WeakPolarHBondContact CA-OG 3.34Å; T77-S80 PolarHBondContact O-N 3.29Å; T77-S80 PolarHBondContact O-OG 3.3Å
78L87Confident81.4Confident6 Ų674.9 Ų74.93%0.03138%0.384CS..Hα-helixtrans-67-38174.2-69.4173000111.9V35 D38 L39 L42 L73 P74 K75 L81V35-L78 HydrophobicContact CG1-CD2 4.16Å; D38-L78 HydrophobicContact CB-CD1 4.21Å; D38-L78 HydrophobicContact CB-CD2 4.34Å; L39-L78 HydrophobicContact CB-CD2 4.24Å; L39-L78 HydrophobicContact CD1-CB 4.07Å; L39-L78 WeakPolarHBondContact CD1-O 3.01Å; L42-L78 HydrophobicContact CD2-CB 3.87Å; L42-L78 HydrophobicContact CD2-CD1 3.87Å; L73-L78 HydrophobicContact CB-CD1 4.43Å; L73-L78 HydrophobicContact CB-CD2 3.91Å; L73-L78 HydrophobicContact CB-CG 3.89Å; L73-L78 HydrophobicContact CD1-CD2 3.84Å; L73-L78 HydrophobicContact CG-CD2 4.5Å; P74-L78 PolarHBondContact O-N 3.32Å; P74-L78 VanDerWaalsContact O-N 3.1Å; K75-L78 PolarHBondContact O-N 3.44Å; L78-L81 HydrophobicContact CD2-CD1 4.28Å; L78-L81 WeakPolarHBondContact O-CB 3.13Å; L78-L81 PolarHBondContact O-N 3.12Å
79F89.1Confident83.1Confident14 Ų1472.8 Ų72.86%0.06137%0.366CS..Hα-helixtrans-72.8-25176.3-68.3-53.6000113.7L42 K75 A76 L81 L82 K85 V88 L89 V92L42-F79 HydrophobicContact CD1-CZ 4.49Å; L42-F79 HydrophobicContact CD2-CD1 4.49Å; L42-F79 HydrophobicContact CD2-CE1 3.92Å; L42-F79 HydrophobicContact CD2-CE2 4.03Å; L42-F79 HydrophobicContact CD2-CZ 3.66Å; L42-F79 HydrophobicContact CG-CE1 4.4Å; L42-F79 HydrophobicContact CG-CZ 4.07Å; K75-F79 HydrophobicContact CB-CE2 4.2Å; K75-F79 WeakPolarHBondContact O-CD2 3.38Å; K75-F79 WeakPolarHBondContact O-CG 3.19Å; K75-F79 PolarHBondContact O-N 2.69Å; A76-F79 PolarHBondContact O-N 3.32Å; F79-L81 PolarHBondContact O-N 3.37Å; F79-L82 HydrophobicContact CD1-CD1 4.15Å; F79-L82 PolarHBondContact O-N 2.91Å; F79-K85 WeakPolarHBondContact O-CB 3.23Å; F79-V88 HydrophobicContact CD1-CG1 4.04Å; F79-V88 HydrophobicContact CE1-CG1 3.95Å; F79-L89 HydrophobicContact CB-CD2 3.95Å; F79-L89 HydrophobicContact CB-CG 4.38Å; F79-L89 HydrophobicContact CD1-CD2 4.39Å; F79-L89 HydrophobicContact CD2-CD2 3.61Å; F79-L89 HydrophobicContact CE2-CD2 4.2Å; F79-L89 HydrophobicContact CG-CD2 3.74Å; F79-L89 HydrophobicContact CG-CG 4.49Å; F79-V92 HydrophobicContact CE1-CG2 3.94Å; F79-V92 HydrophobicContact CE2-CG1 4.12Å; F79-V92 HydrophobicContact CZ-CB 4.3Å; F79-V92 HydrophobicContact CZ-CG1 3.79Å; F79-V92 HydrophobicContact CZ-CG2 3.81Å
80S88.6Confident85Confident40 Ų4067.5 Ų67.528%0.2835%0.351SS..Hα-helixtrans-70.1-17.9175.854.40000113.5Y57 A76 T77 L82Y57-S80 WeakPolarHBondContact CE1-O 3.42Å; A76-S80 PolarHBondContact O-N 2.9Å; A76-S80 VanDerWaalsContact O-N 3.16Å; T77-S80 WeakPolarHBondContact CA-OG 3.34Å; T77-S80 PolarHBondContact O-N 3.29Å; T77-S80 PolarHBondContact O-OG 3.3Å; S80-L82 PolarHBondContact O-N 3.36Å
81L89.1Confident86.6Confident0 Ų061 Ų610%033%0.328CS..THydrogen-bonded Turntrans-71.6-7.3174.8-62.2170.9000113.6V35 L39 D54 Y57 L58 L61 L78 F79V35-L81 HydrophobicContact CG1-CD1 3.77Å; L39-L81 HydrophobicContact CD2-CD1 4.49Å; D54-L81 PolarHBondContact N-O 2.87Å; Y57-L81 HydrophobicContact CD1-CD2 4.09Å; Y57-L81 HydrophobicContact CE1-CD2 4.42Å; L58-L81 HydrophobicContact CB-CD2 4.1Å; L58-L81 HydrophobicContact CD1-CD1 3.83Å; L58-L81 HydrophobicContact CD1-CD2 3.85Å; L58-L81 HydrophobicContact CD1-CG 4.45Å; L61-L81 HydrophobicContact CB-CD2 4.43Å; L61-L81 HydrophobicContact CD1-CD2 4.35Å; L61-L81 HydrophobicContact CD2-CD2 4.43Å; L78-L81 HydrophobicContact CD2-CD1 4.28Å; L78-L81 WeakPolarHBondContact O-CB 3.13Å; L78-L81 PolarHBondContact O-N 3.12Å; F79-L81 PolarHBondContact O-N 3.37Å
82L90.8Very high87.9Confident5 Ų552 Ų523%0.02629%0.29CS..BIsolated β-bridgetrans-98.3128.7-173.8-56.1-179.6000111.4L39 L43 A51 K52 V53 F79 S80 N84 K85 V88L39-L82 HydrophobicContact CD1-CD2 4.42Å; L39-L82 HydrophobicContact CD2-CD2 4.23Å; L43-L82 HydrophobicContact CD2-CD1 4.33Å; A51-L82 HydrophobicContact CB-CD1 4.2Å; A51-L82 HydrophobicContact CB-CD2 3.89Å; K52-L82 CarbonylContact O-C 3.47Å; K52-L82 WeakPolarHBondContact O-CA 3.2Å; V53-L82 HydrophobicContact CG2-CD2 3.93Å; F79-L82 HydrophobicContact CD1-CD1 4.15Å; F79-L82 PolarHBondContact O-N 2.91Å; S80-L82 PolarHBondContact O-N 3.36Å; L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 3.02Å; L82-K85 HydrophobicContact CB-CB 4.24Å; L82-K85 WeakPolarHBondContact O-CB 3.49Å; L82-K85 PolarHBondContact O-N 3.32Å; L82-V88 HydrophobicContact CD1-CB 4.06Å; L82-V88 HydrophobicContact CD1-CG1 3.82Å; L82-V88 HydrophobicContact CD1-CG2 4.04Å
83E90.2Very high88.9Confident73 Ų7352.1 Ų52.134%0.34130%0.295SS..THydrogen-bonded Turntrans-63.8-40.7171.4-63.5-176.4163.700110.6M1 P3 K52 D54 K85M1-E83 WeakPolarHBondContact CE-OE1 3.38Å; P3-E83 WeakPolarHBondContact CB-OE1 3.35Å; K52-E83 HydrophobicContact CB-CB 4.08Å; K52-E83 PolarHBondContact O-N 3.45Å; D54-E83 HydrophobicContact CB-CG 3.93Å; E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 2.84Å
84N92.4Very high89.4Confident17 Ų1757.2 Ų57.29%0.09131%0.313CS..THydrogen-bonded Turntrans-90.432.7176.272.6-36.9000113.1L50 K52 L82 G86 E87 V88L50-N84 PolarHBondContact O-ND2 2.83Å; K52-N84 PolarHBondContact N-OD1 2.74Å; L82-N84 VanDerWaalsContact C-N 3.3Å; L82-N84 PolarHBondContact O-N 3.02Å; N84-G86 PolarHBondContact O-N 3.18Å; N84-G86 VanDerWaalsContact O-N 3.12Å; N84-E87 PolarHBondContact O-N 3Å; N84-V88 PolarHBondContact O-N 3.27Å
85K90.9Very high89.5Confident116 Ų11660.9 Ų60.950%0.50434%0.336SS..Hα-helixtrans-51.3-37.2-178.166.7-174.1-179.1-169.90114.1F79 L82 E83 V88 L89F79-K85 WeakPolarHBondContact O-CB 3.23Å; L82-K85 HydrophobicContact CB-CB 4.24Å; L82-K85 WeakPolarHBondContact O-CB 3.49Å; L82-K85 PolarHBondContact O-N 3.32Å; E83-K85 VanDerWaalsContact C-N 3.26Å; E83-K85 PolarHBondContact O-N 2.84Å; K85-V88 PolarHBondContact O-N 3.36Å; K85-L89 VanDerWaalsContact O-CB 3.24Å; K85-L89 WeakPolarHBondContact O-CB 3.24Å; K85-L89 VanDerWaalsContact O-CG 3.25Å; K85-L89 WeakPolarHBondContact O-CG 3.43Å; K85-L89 PolarHBondContact O-N 3.42Å
86G88.9Confident89.6Confident52 Ų5257.2 Ų57.254%0.53633%0.329SS..Hα-helixtrans-61.1-49.5-17800000112N84 E90N84-G86 PolarHBondContact O-N 3.18Å; N84-G86 VanDerWaalsContact O-N 3.12Å; G86-E90 WeakPolarHBondContact O-CB 3.29Å; G86-E90 PolarHBondContact O-N 2.83Å
87E90.5Very high89.9Confident135 Ų13554 Ų5463%0.63130%0.3SS*.Hα-helixtrans-65-42.2178.7-62172.9-169.700111.7N84 L91N84-E87 PolarHBondContact O-N 3Å; E87-L91 PolarHBondContact O-N 3.4Å; E87-L91 VanDerWaalsContact O-N 3.09Å
88V91.1Very high90.1Very high3 Ų354.4 Ų54.42%0.01830%0.297CS..Hα-helixtrans-68.6-43-179.6176.40000111.2L43 V48 F79 L82 N84 K85 L91 V92L43-V88 HydrophobicContact CD2-CG1 4.22Å; V48-V88 HydrophobicContact CG1-CG1 4.03Å; V48-V88 HydrophobicContact CG1-CG2 3.98Å; V48-V88 HydrophobicContact CG2-CG1 4.11Å; F79-V88 HydrophobicContact CD1-CG1 4.04Å; F79-V88 HydrophobicContact CE1-CG1 3.95Å; L82-V88 HydrophobicContact CD1-CB 4.06Å; L82-V88 HydrophobicContact CD1-CG1 3.82Å; L82-V88 HydrophobicContact CD1-CG2 4.04Å; N84-V88 PolarHBondContact O-N 3.27Å; K85-V88 PolarHBondContact O-N 3.36Å; V88-L91 PolarHBondContact O-N 3.48Å; V88-V92 HydrophobicContact CG1-CG2 4.17Å; V88-V92 WeakPolarHBondContact O-CB 3.25Å; V88-V92 WeakPolarHBondContact O-CG2 3.44Å; V88-V92 PolarHBondContact O-N 3.34Å
89L91.4Very high90.4Very high70 Ų7058.7 Ų58.737%0.36631%0.314SS..Hα-helixtrans-66.6-38.5177.2-75.8172.3000112F79 K85 L91 V92 S93F79-L89 HydrophobicContact CB-CD2 3.95Å; F79-L89 HydrophobicContact CB-CG 4.38Å; F79-L89 HydrophobicContact CD1-CD2 4.39Å; F79-L89 HydrophobicContact CD2-CD2 3.61Å; F79-L89 HydrophobicContact CE2-CD2 4.2Å; F79-L89 HydrophobicContact CG-CD2 3.74Å; F79-L89 HydrophobicContact CG-CG 4.49Å; K85-L89 VanDerWaalsContact O-CB 3.24Å; K85-L89 WeakPolarHBondContact O-CB 3.24Å; K85-L89 VanDerWaalsContact O-CG 3.25Å; K85-L89 WeakPolarHBondContact O-CG 3.43Å; K85-L89 PolarHBondContact O-N 3.42Å; L89-L91 VanDerWaalsContact C-N 3.3Å; L89-L91 PolarHBondContact O-N 2.81Å; L89-V92 PolarHBondContact O-N 2.79Å; L89-S93 VanDerWaalsContact O-CB 3.22Å; L89-S93 WeakPolarHBondContact O-CB 3.31Å; L89-S93 PolarHBondContact O-N 2.88Å; L89-S93 PolarHBondContact O-OG 3.22Å
90E91.8Very high90.4Very high118 Ų11867.2 Ų67.255%0.55135%0.346SS*.Hα-helixtrans-59.5-44.8174.2-164.5-160137.600110.5G86 R94G86-E90 WeakPolarHBondContact O-CB 3.29Å; G86-E90 PolarHBondContact O-N 2.83Å; E90-R94 WeakPolarHBondContact O-CG 3.35Å; E90-R94 IonicContact OE1-CZ 3.01Å; E90-R94 IonicContact OE1-NE 3.85Å; E90-R94 IonicContact OE1-NH2 3.89Å; E90-R94 PolarHBondContact OE1-NH2 2.95Å
91L90.5Very high90.5Very high32 Ų3265.9 Ų65.917%0.16834%0.339CS..Hα-helixtrans-64.5-50.5177-177.365.7000112.1V48 P49 E87 V88 L89 S93 R94 Q97V48-L91 HydrophobicContact CG2-CD2 4.44Å; P49-L91 VanDerWaalsContact CD-CD2 3.49Å; P49-L91 HydrophobicContact CG-CD2 4.43Å; E87-L91 PolarHBondContact O-N 3.4Å; E87-L91 VanDerWaalsContact O-N 3.09Å; V88-L91 PolarHBondContact O-N 3.48Å; L89-L91 VanDerWaalsContact C-N 3.3Å; L89-L91 PolarHBondContact O-N 2.81Å; L91-S93 VanDerWaalsContact C-N 3.26Å; L91-S93 PolarHBondContact O-N 3.33Å; L91-R94 WeakPolarHBondContact O-CB 3.2Å; L91-R94 PolarHBondContact O-N 2.85Å; L91-R94 VanDerWaalsContact O-N 3.15Å; L91-Q97 HydrophobicContact CD1-CG 4.43Å; L91-Q97 HydrophobicContact CG-CG 4.17Å; L91-Q97 WeakPolarHBondContact O-CB 3.32Å; L91-Q97 VanDerWaalsContact O-CG 3.27Å; L91-Q97 WeakPolarHBondContact O-CG 3.34Å
92V90.8Very high90.6Very high19 Ų1971.4 Ų71.412%0.11536%0.364CS..Hα-helixtrans-61.2-34.9-177.9164.50000112.2F46 V48 F79 V88 L89 R94F46-V92 HydrophobicContact CB-CG2 3.94Å; F46-V92 HydrophobicContact CD1-CB 4.19Å; F46-V92 HydrophobicContact CD1-CG1 3.71Å; F46-V92 HydrophobicContact CD1-CG2 4.1Å; F46-V92 HydrophobicContact CE1-CG1 3.67Å; F46-V92 HydrophobicContact CG-CG1 4.23Å; F46-V92 HydrophobicContact CG-CG2 4.04Å; F46-V92 HydrophobicContact CZ-CG1 4.17Å; V48-V92 HydrophobicContact CG2-CG2 4.13Å; F79-V92 HydrophobicContact CE1-CG2 3.94Å; F79-V92 HydrophobicContact CE2-CG1 4.12Å; F79-V92 HydrophobicContact CZ-CB 4.3Å; F79-V92 HydrophobicContact CZ-CG1 3.79Å; F79-V92 HydrophobicContact CZ-CG2 3.81Å; V88-V92 HydrophobicContact CG1-CG2 4.17Å; V88-V92 WeakPolarHBondContact O-CB 3.25Å; V88-V92 WeakPolarHBondContact O-CG2 3.44Å; V88-V92 PolarHBondContact O-N 3.34Å; L89-V92 PolarHBondContact O-N 2.79Å; V92-R94 VanDerWaalsContact C-N 3.26Å; V92-R94 PolarHBondContact O-N 3.32Å
93S90.5Very high90.6Very high91 Ų9173.1 Ų73.164%0.63638%0.383SS*.Hα-helixtrans-74.9-14.9-179.4-58.10000113.2L89 L91 P95L89-S93 VanDerWaalsContact O-CB 3.22Å; L89-S93 WeakPolarHBondContact O-CB 3.31Å; L89-S93 PolarHBondContact O-N 2.88Å; L89-S93 PolarHBondContact O-OG 3.22Å; L91-S93 VanDerWaalsContact C-N 3.26Å; L91-S93 PolarHBondContact O-N 3.33Å; S93-P95 WeakPolarHBondContact O-CD 3.27Å
94R91.4Very high90.6Very high130 Ų13069.8 Ų69.849%0.49137%0.368SS..SBendtrans-63.6126.2179.1-72.7169.3-172.6-166.80.4110.2E90 L91 V92 G96 Q97E90-R94 WeakPolarHBondContact O-CG 3.35Å; E90-R94 IonicContact OE1-CZ 3.01Å; E90-R94 IonicContact OE1-NE 3.85Å; E90-R94 IonicContact OE1-NH2 3.89Å; E90-R94 PolarHBondContact OE1-NH2 2.95Å; L91-R94 WeakPolarHBondContact O-CB 3.2Å; L91-R94 PolarHBondContact O-N 2.85Å; L91-R94 VanDerWaalsContact O-N 3.15Å; V92-R94 VanDerWaalsContact C-N 3.26Å; V92-R94 PolarHBondContact O-N 3.32Å; R94-G96 PolarHBondContact O-N 2.87Å; R94-Q97 HydrophobicContact CB-CB 4.36Å; R94-Q97 VanDerWaalsContact O-CB 3.26Å; R94-Q97 WeakPolarHBondContact O-CB 3.24Å; R94-Q97 PolarHBondContact O-N 2.76Å
95P87.6Confident90.6Very high135 Ų13579.7 Ų79.788%0.87741%0.405SS*.THydrogen-bonded Turntrans-53.2127.4175.8-27.235000111.2S93S93-P95 WeakPolarHBondContact O-CD 3.27Å
96G88.2Confident90.8Very high29 Ų2979.7 Ų79.730%0.29941%0.41SS..THydrogen-bonded Turntrans89.2-7.3179.700000115.8R94 R98 Y99R94-G96 PolarHBondContact O-N 2.87Å; G96-R98 VanDerWaalsContact C-N 3.3Å; G96-R98 PolarHBondContact O-N 3.28Å; G96-Y99 PolarHBondContact O-N 2.73Å
97Q91.2Very high90.9Very high8 Ų879.8 Ų79.84%0.03740%0.4CS..G310 helixtrans-59.5-39.8178.4-17366.317.100112.3F46 L91 R94 Y99 R100F46-Q97 WeakPolarHBondContact O-CG 3.33Å; F46-Q97 PolarHBondContact O-NE2 2.87Å; L91-Q97 HydrophobicContact CD1-CG 4.43Å; L91-Q97 HydrophobicContact CG-CG 4.17Å; L91-Q97 WeakPolarHBondContact O-CB 3.32Å; L91-Q97 VanDerWaalsContact O-CG 3.27Å; L91-Q97 WeakPolarHBondContact O-CG 3.34Å; R94-Q97 HydrophobicContact CB-CB 4.36Å; R94-Q97 VanDerWaalsContact O-CB 3.26Å; R94-Q97 WeakPolarHBondContact O-CB 3.24Å; R94-Q97 PolarHBondContact O-N 2.76Å; Q97-Y99 PolarHBondContact O-N 3.41Å; Q97-Y99 VanDerWaalsContact O-N 3.13Å; Q97-R100 WeakPolarHBondContact O-CB 3.42Å; Q97-R100 PolarHBondContact O-N 2.99Å
98R91.2Very high91Very high49 Ų4974.3 Ų74.319%0.18538%0.378CS..G310 helixtrans-57.4-27.2175.9179.856.8-173.189.5-7.6113.8E45 F46 G96 R100 E102E45-R98 WeakPolarHBondContact O-CD 3.38Å; E45-R98 PolarHBondContact O-NH1 3.4Å; E45-R98 VanDerWaalsContact O-O 3.13Å; E45-R98 IonicContact OE1-NH2 2.93Å; E45-R98 IonicContact OE2-CZ 2.71Å; E45-R98 IonicContact OE2-NE 3.39Å; E45-R98 PolarHBondContact OE2-NE 3.27Å; E45-R98 IonicContact OE2-NH2 3.89Å; E45-R98 PolarHBondContact OE2-NH2 2.85Å; F46-R98 HydrophobicContact CD1-CB 4.09Å; F46-R98 HydrophobicContact CE1-CB 3.77Å; F46-R98 HydrophobicContact CE1-CG 4.34Å; F46-R98 HydrophobicContact CZ-CB 4.33Å; F46-R98 HydrophobicContact CZ-CG 4.42Å; G96-R98 VanDerWaalsContact C-N 3.3Å; G96-R98 PolarHBondContact O-N 3.28Å; R98-R100 VanDerWaalsContact C-N 3.34Å; R98-E102 PolarHBondContact NH1-O 2.92Å
99Y92.3Very high91.1Very high96 Ų9676.1 Ų76.138%0.37639%0.393SS..G310 helixtrans-85.8-8.7-178-47.8-52.7000113.1G96 Q97 G104 V107 A108G96-Y99 PolarHBondContact O-N 2.73Å; Q97-Y99 PolarHBondContact O-N 3.41Å; Q97-Y99 VanDerWaalsContact O-N 3.13Å; Y99-G104 WeakPolarHBondContact O-CA 3.35Å; Y99-V107 HydrophobicContact CD1-CG1 4.32Å; Y99-V107 HydrophobicContact CE1-CG1 4.09Å; Y99-A108 HydrophobicContact CD1-CB 3.67Å; Y99-A108 HydrophobicContact CE1-CB 4.19Å; Y99-A108 HydrophobicContact CG-CB 3.93Å
100R89.7Confident91.3Very high193 Ų19376.5 Ų76.573%0.72840%0.398SS*.THydrogen-bonded Turntrans-86.8-22.2175.5-63.9-178.7175.2-177.4-4.3112.9A47 Q97 R98A47-R100 HydrophobicContact CB-CB 4.15Å; Q97-R100 WeakPolarHBondContact O-CB 3.42Å; Q97-R100 PolarHBondContact O-N 2.99Å; R98-R100 VanDerWaalsContact C-N 3.34Å
101G89.5Confident91.3Very high13 Ų1377.2 Ų77.213%0.13440%0.396CS..SBendtrans-85-170179.200000113.9R44 E45 G103 G104R44-G101 CarbonylContact O-C 3.56Å; R44-G101 WeakPolarHBondContact O-CA 3.3Å; E45-G101 WeakPolarHBondContact O-CA 3.49Å; G101-G103 PolarHBondContact O-N 3.29Å; G101-G104 WeakPolarHBondContact O-CA 3.47Å; G101-G104 PolarHBondContact O-N 3.42Å
102E91.4Very high91.4Very high115 Ų11581.4 Ų81.454%0.53742%0.417SS..THydrogen-bonded Turntrans-58.1134.8-176.4-165.6171.8-17400112R44 R98 G104R44-E102 HydrophobicContact CB-CB 4.23Å; R44-E102 WeakPolarHBondContact CB-OE2 3.44Å; R44-E102 WeakPolarHBondContact CD-OE2 2.98Å; R44-E102 PolarHBondContact O-N 3.36Å; R98-E102 PolarHBondContact NH1-O 2.92Å; E102-G104 PolarHBondContact O-N 3.23Å; E102-G104 VanDerWaalsContact O-N 3.13Å
103G90.5Very high91.7Very high41 Ų4185.3 Ų85.342%0.42343%0.434SS..THydrogen-bonded Turntrans64.210.2-174.600000115G101 R105 D106 V107G101-G103 PolarHBondContact O-N 3.29Å; G103-R105 VanDerWaalsContact C-N 3.28Å; G103-R105 PolarHBondContact O-N 3.24Å; G103-D106 PolarHBondContact O-N 2.87Å; G103-D106 VanDerWaalsContact O-N 3.17Å; G103-V107 WeakPolarHBondContact O-CG2 3.16Å; G103-V107 PolarHBondContact O-N 3.37Å
104G91.6Very high91.9Very high3 Ų384 Ų843%0.03142%0.423CS..Hα-helixtrans-59.4-32.9-17100000114.9Y99 G101 E102 A108Y99-G104 WeakPolarHBondContact O-CA 3.35Å; G101-G104 WeakPolarHBondContact O-CA 3.47Å; G101-G104 PolarHBondContact O-N 3.42Å; E102-G104 PolarHBondContact O-N 3.23Å; E102-G104 VanDerWaalsContact O-N 3.13Å; G104-A108 WeakPolarHBondContact O-CB 3.31Å; G104-A108 PolarHBondContact O-N 2.97Å
105R92.3Very high92.1Very high226 Ų22685.1 Ų85.185%0.85343%0.427SS*.Hα-helixtrans-63.9-45176.2-68.7-174.9-173.6176.32.7112.2G103 A108 A109G103-R105 VanDerWaalsContact C-N 3.28Å; G103-R105 PolarHBondContact O-N 3.24Å; R105-A108 PolarHBondContact O-N 3.1Å; R105-A109 WeakPolarHBondContact O-CB 3.36Å; R105-A109 PolarHBondContact O-N 3.48Å
106D93.3Very high92.5Very high116 Ų11686.2 Ų86.262%0.6241%0.414SS*.Hα-helixtrans-71.7-38.5-178.4-58.9-38000111.6G103 A109 T110G103-D106 PolarHBondContact O-N 2.87Å; G103-D106 VanDerWaalsContact O-N 3.17Å; D106-A109 PolarHBondContact O-N 3.04Å; D106-T110 WeakPolarHBondContact O-CB 3.48Å; D106-T110 PolarHBondContact O-N 3.47Å; D106-T110 PolarHBondContact O-OG1 2.8Å
107V92Very high92.9Very high53 Ų5392.4 Ų92.432%0.32143%0.428SS..Hα-helixtrans-65.4-41.5174.5179.80000110.6Y99 G103 R111Y99-V107 HydrophobicContact CD1-CG1 4.32Å; Y99-V107 HydrophobicContact CE1-CG1 4.09Å; G103-V107 WeakPolarHBondContact O-CG2 3.16Å; G103-V107 PolarHBondContact O-N 3.37Å; V107-R111 WeakPolarHBondContact O-CB 3.49Å; V107-R111 PolarHBondContact O-N 3.32Å
108A91.9Very high93Very high21 Ų21100 Ų10017%0.17446%0.457CS..Hα-helixtrans-63.4-47.7174.100000111.5Y99 G104 R105 T110 R111 I112Y99-A108 HydrophobicContact CD1-CB 3.67Å; Y99-A108 HydrophobicContact CE1-CB 4.19Å; Y99-A108 HydrophobicContact CG-CB 3.93Å; G104-A108 WeakPolarHBondContact O-CB 3.31Å; G104-A108 PolarHBondContact O-N 2.97Å; R105-A108 PolarHBondContact O-N 3.1Å; A108-T110 PolarHBondContact O-N 2.86Å; A108-R111 PolarHBondContact O-N 3.49Å; A108-I112 VanDerWaalsContact O-CG1 3.29Å; A108-I112 WeakPolarHBondContact O-CG1 3.28Å; A108-I112 PolarHBondContact O-N 3.43Å
109A94.4Very high93.2Very high41 Ų41104.2 Ų104.234%0.33947%0.473SS..Hα-helixtrans-58.2-47.1177.100000111.3R105 D106 R111 I112 Q113R105-A109 WeakPolarHBondContact O-CB 3.36Å; R105-A109 PolarHBondContact O-N 3.48Å; D106-A109 PolarHBondContact O-N 3.04Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.43Å; A109-I112 PolarHBondContact O-N 3.08Å; A109-Q113 VanDerWaalsContact O-CB 3.3Å; A109-Q113 WeakPolarHBondContact O-CB 3.41Å; A109-Q113 WeakPolarHBondContact O-CG 3.37Å; A109-Q113 PolarHBondContact O-N 2.85Å
110T94.6Very high93.4Very high77 Ų77103.9 Ų103.947%0.47248%0.477SS..Hα-helixtrans-60.3-43.4176.1-58.10000111.3D106 A108 Q113 T114D106-T110 WeakPolarHBondContact O-CB 3.48Å; D106-T110 PolarHBondContact O-N 3.47Å; D106-T110 PolarHBondContact O-OG1 2.8Å; A108-T110 PolarHBondContact O-N 2.86Å; T110-Q113 PolarHBondContact O-N 3.41Å; T110-T114 HydrophobicContact CG2-CG2 4.29Å; T110-T114 WeakPolarHBondContact O-CB 3.27Å; T110-T114 WeakPolarHBondContact O-CG2 3.18Å; T110-T114 PolarHBondContact O-N 2.92Å; T110-T114 PolarHBondContact O-OG1 3.26Å
111R92.8Very high93.7Very high133 Ų13399.2 Ų99.250%0.50247%0.471SS..Hα-helixtrans-64-44.7178.1-170.364.8169.3176.8-2.7111.7V107 A108 A109 T114 W115V107-R111 WeakPolarHBondContact O-CB 3.49Å; V107-R111 PolarHBondContact O-N 3.32Å; A108-R111 PolarHBondContact O-N 3.49Å; A109-R111 VanDerWaalsContact C-N 3.34Å; A109-R111 PolarHBondContact O-N 3.43Å; R111-T114 WeakPolarHBondContact CA-OG1 3.1Å; R111-T114 PolarHBondContact O-OG1 3.38Å; R111-W115 VanDerWaalsContact O-CD1 3.26Å; R111-W115 PolarHBondContact O-N 3.27Å; R111-W115 VanDerWaalsContact O-N 3.07Å
112I93.2Very high93.9Very high120 Ų120105.9 Ų105.962%0.61549%0.492SS*.Hα-helixtrans-63.4-48.2177.4-68165.5000110.1A108 A109 T114 W115 W116A108-I112 VanDerWaalsContact O-CG1 3.29Å; A108-I112 WeakPolarHBondContact O-CG1 3.28Å; A108-I112 PolarHBondContact O-N 3.43Å; A109-I112 PolarHBondContact O-N 3.08Å; I112-T114 PolarHBondContact O-N 3.27Å; I112-W115 PolarHBondContact O-N 2.87Å; I112-W116 WeakPolarHBondContact O-CB 3.41Å; I112-W116 PolarHBondContact O-N 3.47Å
113Q95.6Very high94.1Very high101 Ų101103.2 Ų103.247%0.47248%0.483SS..Hα-helixtrans-61.9-42.5179.7-73.8174.6-13.100112.3A109 T110 W116 R117A109-Q113 VanDerWaalsContact O-CB 3.3Å; A109-Q113 WeakPolarHBondContact O-CB 3.41Å; A109-Q113 WeakPolarHBondContact O-CG 3.37Å; A109-Q113 PolarHBondContact O-N 2.85Å; T110-Q113 PolarHBondContact O-N 3.41Å; Q113-W116 PolarHBondContact O-N 2.84Å; Q113-R117 WeakPolarHBondContact O-CB 3.44Å; Q113-R117 VanDerWaalsContact O-CG 3.26Å; Q113-R117 WeakPolarHBondContact O-CG 3.5Å; Q113-R117 PolarHBondContact O-N 3.13Å
114T95.7Very high94.3Very high63 Ų63105.2 Ų105.239%0.38749%0.491SS..Hα-helixtrans-64.3-42177.248.60000111.9T110 R111 I112 R118T110-T114 HydrophobicContact CG2-CG2 4.29Å; T110-T114 WeakPolarHBondContact O-CB 3.27Å; T110-T114 WeakPolarHBondContact O-CG2 3.18Å; T110-T114 PolarHBondContact O-N 2.92Å; T110-T114 PolarHBondContact O-OG1 3.26Å; R111-T114 WeakPolarHBondContact CA-OG1 3.1Å; R111-T114 PolarHBondContact O-OG1 3.38Å; I112-T114 PolarHBondContact O-N 3.27Å; T114-R118 VanDerWaalsContact O-CB 3.27Å; T114-R118 WeakPolarHBondContact O-CB 3.42Å; T114-R118 PolarHBondContact O-N 3.36Å
115W94.8Very high94.4Very high154 Ų154111.5 Ų111.558%0.58351%0.514SS*.Hα-helixtrans-61.7-45173.4-91.782.1000112.1R111 I112 R118 Y119R111-W115 VanDerWaalsContact O-CD1 3.26Å; R111-W115 PolarHBondContact O-N 3.27Å; R111-W115 VanDerWaalsContact O-N 3.07Å; I112-W115 PolarHBondContact O-N 2.87Å; W115-R118 PolarHBondContact O-N 3.02Å; W115-Y119 WeakPolarHBondContact O-CB 3.37Å; W115-Y119 PolarHBondContact O-N 3.48Å
116W95.3Very high94.5Very high158 Ų158104.1 Ų104.160%0.59849%0.492SS*.Hα-helixtrans-65.2-46.8179-170.7-108.7000112.6I112 Q113 R118 Y119 L120I112-W116 WeakPolarHBondContact O-CB 3.41Å; I112-W116 PolarHBondContact O-N 3.47Å; Q113-W116 PolarHBondContact O-N 2.84Å; W116-R118 VanDerWaalsContact C-N 3.3Å; W116-R118 PolarHBondContact O-N 3.32Å; W116-Y119 HydrophobicContact CE3-CD1 4.47Å; W116-Y119 HydrophobicContact CZ3-CD1 4.31Å; W116-Y119 WeakPolarHBondContact O-CB 3.43Å; W116-Y119 PolarHBondContact O-N 3.26Å; W116-L120 HydrophobicContact CZ2-CD2 4.4Å; W116-L120 WeakPolarHBondContact O-CG 3.45Å; W116-L120 PolarHBondContact O-N 3.39Å
117R96.6Very high94.6Very high160 Ų160101.6 Ų101.660%0.60448%0.482SS*.Hα-helixtrans-58.6-42.3174.7-73175.1-174.6170.54111.3Q113 T121Q113-R117 WeakPolarHBondContact O-CB 3.44Å; Q113-R117 VanDerWaalsContact O-CG 3.26Å; Q113-R117 WeakPolarHBondContact O-CG 3.5Å; Q113-R117 PolarHBondContact O-N 3.13Å; R117-T121 WeakPolarHBondContact O-CB 3.17Å; R117-T121 PolarHBondContact O-N 3.07Å; R117-T121 PolarHBondContact O-OG1 3.07Å
118R94.8Very high94.8Very high168 Ų168105.6 Ų105.663%0.63449%0.493SS*.Hα-helixtrans-64.1-44.2175.8-177.8180179.5-176.90.7111.6T114 W115 W116 T121 R122T114-R118 VanDerWaalsContact O-CB 3.27Å; T114-R118 WeakPolarHBondContact O-CB 3.42Å; T114-R118 PolarHBondContact O-N 3.36Å; W115-R118 PolarHBondContact O-N 3.02Å; W116-R118 VanDerWaalsContact C-N 3.3Å; W116-R118 PolarHBondContact O-N 3.32Å; R118-T121 PolarHBondContact O-N 3.35Å; R118-R122 WeakPolarHBondContact O-CB 3.46Å; R118-R122 PolarHBondContact O-N 3.28Å
119Y95.1Very high94.8Very high137 Ų137108.5 Ų108.554%0.53750%0.503SS..Hα-helixtrans-59.1-52.1177.2174-98.4000110.8W115 W116 T121 R122 T123W115-Y119 WeakPolarHBondContact O-CB 3.37Å; W115-Y119 PolarHBondContact O-N 3.48Å; W116-Y119 HydrophobicContact CE3-CD1 4.47Å; W116-Y119 HydrophobicContact CZ3-CD1 4.31Å; W116-Y119 WeakPolarHBondContact O-CB 3.43Å; W116-Y119 PolarHBondContact O-N 3.26Å; Y119-T121 PolarHBondContact O-N 3.18Å; Y119-R122 PolarHBondContact O-N 3.25Å; Y119-T123 WeakPolarHBondContact O-CB 3.28Å; Y119-T123 PolarHBondContact O-N 3.21Å; Y119-T123 PolarHBondContact O-OG1 3.04Å
120L96.3Very high94.8Very high88 Ų88115.6 Ų115.646%0.46152%0.52SS..Hα-helixtrans-58.1-48.2178.6-70.2177.1000112.2W116 R122 T123 S124W116-L120 HydrophobicContact CZ2-CD2 4.4Å; W116-L120 WeakPolarHBondContact O-CG 3.45Å; W116-L120 PolarHBondContact O-N 3.39Å; L120-R122 PolarHBondContact O-N 3.24Å; L120-T123 PolarHBondContact O-N 3.07Å; L120-S124 WeakPolarHBondContact O-CB 3.38Å; L120-S124 PolarHBondContact O-N 2.93Å
121T95.2Very high94.8Very high96 Ų96121.1 Ų121.159%0.58953%0.533SS*.Hα-helixtrans-63.7-43.8-179.7-52.50000111.3R117 R118 Y119 S124 Y125R117-T121 WeakPolarHBondContact O-CB 3.17Å; R117-T121 PolarHBondContact O-N 3.07Å; R117-T121 PolarHBondContact O-OG1 3.07Å; R118-T121 PolarHBondContact O-N 3.35Å; Y119-T121 PolarHBondContact O-N 3.18Å; T121-S124 PolarHBondContact O-N 3.43Å; T121-Y125 WeakPolarHBondContact O-CB 3.42Å; T121-Y125 PolarHBondContact O-N 3.43Å
122R94.9Very high94.9Very high153 Ų153119.5 Ų119.558%0.57753%0.529SS*.Hα-helixtrans-63.4-44.8177.6-179.3178.6175.689-3.9111.3R118 Y119 L120 Y125 L126R118-R122 WeakPolarHBondContact O-CB 3.46Å; R118-R122 PolarHBondContact O-N 3.28Å; Y119-R122 PolarHBondContact O-N 3.25Å; L120-R122 PolarHBondContact O-N 3.24Å; R122-Y125 PolarHBondContact O-N 3.19Å; R122-L126 HydrophobicContact CG-CD1 3.99Å; R122-L126 HydrophobicContact CG-CG 4.33Å; R122-L126 WeakPolarHBondContact O-CB 3.38Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.49Å; R122-L126 PolarHBondContact O-N 2.89Å
123T94.3Very high94.7Very high58 Ų58117.5 Ų117.536%0.35652%0.518SS..Hα-helixtrans-61.8-45.9178.5-59.20000110.7Y119 L120 Y125 L126 C127Y119-T123 WeakPolarHBondContact O-CB 3.28Å; Y119-T123 PolarHBondContact O-N 3.21Å; Y119-T123 PolarHBondContact O-OG1 3.04Å; L120-T123 PolarHBondContact O-N 3.07Å; T123-Y125 PolarHBondContact O-N 3.45Å; T123-L126 PolarHBondContact O-N 3.38Å; T123-C127 PolarHBondContact O-N 3.2Å; T123-C127 PolarHBondContact O-SG 3.38Å
124S94.8Very high94.6Very high83 Ų83114.8 Ų114.858%0.5851%0.513SS*.Hα-helixtrans-60-46.6175-175.90000112.2L120 T121 L126 C127 Y128L120-S124 WeakPolarHBondContact O-CB 3.38Å; L120-S124 PolarHBondContact O-N 2.93Å; T121-S124 PolarHBondContact O-N 3.43Å; S124-L126 PolarHBondContact O-N 2.85Å; S124-C127 PolarHBondContact O-N 3.5Å; S124-Y128 WeakPolarHBondContact O-CB 3.48Å; S124-Y128 PolarHBondContact O-N 3.15Å
125Y94.2Very high94.6Very high135 Ų135114.3 Ų114.353%0.52952%0.515SS..Hα-helixtrans-60.2-44.4176.9174.7-98.8000112.4T121 R122 T123 C127 Y128 H129T121-Y125 WeakPolarHBondContact O-CB 3.42Å; T121-Y125 PolarHBondContact O-N 3.43Å; R122-Y125 PolarHBondContact O-N 3.19Å; T123-Y125 PolarHBondContact O-N 3.45Å; Y125-C127 VanDerWaalsContact C-N 3.35Å; Y125-C127 PolarHBondContact O-N 3.43Å; Y125-Y128 PolarHBondContact O-N 2.86Å; Y125-H129 VanDerWaalsContact O-CB 3.32Å; Y125-H129 WeakPolarHBondContact O-CB 3.45Å; Y125-H129 PolarHBondContact O-N 2.87Å
126L94.9Very high94.2Very high72 Ų72111 Ų11138%0.37751%0.506SS..Hα-helixtrans-64.3-40178.3-71.2173.3000111.7R122 T123 S124 H129 R130R122-L126 HydrophobicContact CG-CD1 3.99Å; R122-L126 HydrophobicContact CG-CG 4.33Å; R122-L126 WeakPolarHBondContact O-CB 3.38Å; R122-L126 VanDerWaalsContact O-CG 3.25Å; R122-L126 WeakPolarHBondContact O-CG 3.49Å; R122-L126 PolarHBondContact O-N 2.89Å; T123-L126 PolarHBondContact O-N 3.38Å; S124-L126 PolarHBondContact O-N 2.85Å; L126-H129 PolarHBondContact O-N 3.23Å; L126-R130 WeakPolarHBondContact O-CG 3.47Å; L126-R130 PolarHBondContact O-N 3.18Å
127C96Very high93.9Very high62 Ų62107.9 Ų107.942%0.41950%0.501SS..Hα-helixtrans-63-46.2173.2-75.10000111.9T123 S124 Y125 R130 R131T123-C127 PolarHBondContact O-N 3.2Å; T123-C127 PolarHBondContact O-SG 3.38Å; S124-C127 PolarHBondContact O-N 3.5Å; Y125-C127 VanDerWaalsContact C-N 3.35Å; Y125-C127 PolarHBondContact O-N 3.43Å; C127-R130 PolarHBondContact O-N 2.94Å; C127-R131 WeakPolarHBondContact O-CG 3.5Å; C127-R131 PolarHBondContact O-N 3.19Å
128Y95.3Very high93.8Very high138 Ų138106 Ų10654%0.54150%0.502SS..Hα-helixtrans-59.4-48.1175.2168.8-100.8000111.6S124 Y125 R130 R131 K132S124-Y128 WeakPolarHBondContact O-CB 3.48Å; S124-Y128 PolarHBondContact O-N 3.15Å; Y125-Y128 PolarHBondContact O-N 2.86Å; Y128-R130 PolarHBondContact O-N 3.45Å; Y128-R131 PolarHBondContact O-N 3.42Å; Y128-R131 VanDerWaalsContact O-N 3.14Å; Y128-K132 HydrophobicContact CE1-CD 4.25Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 PolarHBondContact O-N 3.26Å
129H92.5Very high93.7Very high82 Ų82101.6 Ų101.638%0.3850%0.497SS..Hα-helixtrans-60.4-44.4-179.9-172.6-78.7000111.6Y125 L126 R131 K132 M133Y125-H129 VanDerWaalsContact O-CB 3.32Å; Y125-H129 WeakPolarHBondContact O-CB 3.45Å; Y125-H129 PolarHBondContact O-N 2.87Å; L126-H129 PolarHBondContact O-N 3.23Å; H129-R131 VanDerWaalsContact C-N 3.34Å; H129-R131 PolarHBondContact O-N 3.05Å; H129-K132 PolarHBondContact O-N 2.96Å; H129-M133 WeakPolarHBondContact O-CB 3.27Å; H129-M133 WeakPolarHBondContact O-CG 3.5Å; H129-M133 PolarHBondContact O-N 2.9Å
130R93.6Very high93.3Very high189 Ų18999.4 Ų99.471%0.71349%0.494SS*.Hα-helixtrans-59.1-44.2174.3-75.4178.8-177.1-179.91112L126 C127 Y128 A134L126-R130 WeakPolarHBondContact O-CG 3.47Å; L126-R130 PolarHBondContact O-N 3.18Å; C127-R130 PolarHBondContact O-N 2.94Å; Y128-R130 PolarHBondContact O-N 3.45Å; R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 2.71Å
131R95.4Very high92.8Very high193 Ų19399 Ų9973%0.72850%0.498SS*.Hα-helixtrans-65.9-41.7177.8-72.1176.6179.4177.20.1112.1C127 Y128 H129 A134 A135C127-R131 WeakPolarHBondContact O-CG 3.5Å; C127-R131 PolarHBondContact O-N 3.19Å; Y128-R131 PolarHBondContact O-N 3.42Å; Y128-R131 VanDerWaalsContact O-N 3.14Å; H129-R131 VanDerWaalsContact C-N 3.34Å; H129-R131 PolarHBondContact O-N 3.05Å; R131-A134 PolarHBondContact O-N 2.87Å; R131-A135 WeakPolarHBondContact O-CB 3.37Å; R131-A135 PolarHBondContact O-N 2.79Å
132K94.8Very high92.7Very high99 Ų99101.9 Ų101.943%0.4350%0.5SS..Hα-helixtrans-61.4-49.2176.3-177.1-179.7171.1-176.60111.2Y128 H129 A134 A135 E136Y128-K132 HydrophobicContact CE1-CD 4.25Å; Y128-K132 WeakPolarHBondContact O-CB 3.32Å; Y128-K132 PolarHBondContact O-N 3.26Å; H129-K132 PolarHBondContact O-N 2.96Å; K132-A134 VanDerWaalsContact C-N 3.33Å; K132-A134 PolarHBondContact O-N 3.07Å; K132-A135 PolarHBondContact O-N 3.45Å; K132-E136 WeakPolarHBondContact CE-OE1 3.45Å; K132-E136 IonicContact NZ-OE1 3.5Å; K132-E136 WeakPolarHBondContact O-CG 3.28Å; K132-E136 PolarHBondContact O-N 3.29Å
133M89.4Confident92.6Very high78 Ų7898.5 Ų98.538%0.38449%0.493SS..Hα-helixtrans-57.8-44.9175.6-74-58.3-45.300112.1H129 E136 L137H129-M133 WeakPolarHBondContact O-CB 3.27Å; H129-M133 WeakPolarHBondContact O-CG 3.5Å; H129-M133 PolarHBondContact O-N 2.9Å; M133-E136 PolarHBondContact O-N 2.92Å; M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.2Å
134A93.2Very high91.9Very high44 Ų44100.7 Ų100.736%0.36450%0.497SS..Hα-helixtrans-62.7-43.5176.900000111.9R130 R131 K132 E136 L137 I138R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 2.71Å; R131-A134 PolarHBondContact O-N 2.87Å; K132-A134 VanDerWaalsContact C-N 3.33Å; K132-A134 PolarHBondContact O-N 3.07Å; A134-E136 PolarHBondContact O-N 3.46Å; A134-L137 PolarHBondContact O-N 3.42Å; A134-I138 WeakPolarHBondContact O-CB 3.41Å; A134-I138 WeakPolarHBondContact O-CD1 3.49Å; A134-I138 WeakPolarHBondContact O-CG1 3.27Å; A134-I138 PolarHBondContact O-N 3.31Å
135A95.1Very high91.7Very high53 Ų53102.1 Ų102.144%0.43850%0.495SS..Hα-helixtrans-62.7-41.7177.900000112.2R131 K132 S139R131-A135 WeakPolarHBondContact O-CB 3.37Å; R131-A135 PolarHBondContact O-N 2.79Å; K132-A135 PolarHBondContact O-N 3.45Å; A135-S139 VanDerWaalsContact O-CB 3.27Å; A135-S139 WeakPolarHBondContact O-CB 3.38Å; A135-S139 PolarHBondContact O-N 3.45Å; A135-S139 PolarHBondContact O-OG 3.16Å
136E86.9Confident91.7Very high84 Ų84101.2 Ų101.239%0.39349%0.491SS..Hα-helixtrans-63.2-46.9175.9-73.6173.1178.400111.7K132 M133 A134 S139 L140K132-E136 WeakPolarHBondContact CE-OE1 3.45Å; K132-E136 IonicContact NZ-OE1 3.5Å; K132-E136 WeakPolarHBondContact O-CG 3.28Å; K132-E136 PolarHBondContact O-N 3.29Å; M133-E136 PolarHBondContact O-N 2.92Å; A134-E136 PolarHBondContact O-N 3.46Å; E136-S139 PolarHBondContact O-N 2.88Å; E136-L140 WeakPolarHBondContact O-CB 3.34Å; E136-L140 PolarHBondContact O-N 3.04Å
137L89.3Confident91.4Very high94 Ų94102.5 Ų102.549%0.49250%0.495SS..Hα-helixtrans-61.9-44.8177.1-72.8172.2000112.3M133 A134 S139 L140 S141M133-L137 WeakPolarHBondContact O-CG 3.36Å; M133-L137 PolarHBondContact O-N 3.2Å; A134-L137 PolarHBondContact O-N 3.42Å; L137-S139 VanDerWaalsContact C-N 3.34Å; L137-L140 PolarHBondContact O-N 3.4Å; L137-S141 VanDerWaalsContact O-CB 3.3Å; L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 2.98Å
138I93.8Very high91Very high119 Ų119107.1 Ų107.161%0.6151%0.508SS*.Hα-helixtrans-62.7-43.4177-69.5166000110.2A134 S141 Y142A134-I138 WeakPolarHBondContact O-CB 3.41Å; A134-I138 WeakPolarHBondContact O-CD1 3.49Å; A134-I138 WeakPolarHBondContact O-CG1 3.27Å; A134-I138 PolarHBondContact O-N 3.31Å; I138-S141 PolarHBondContact O-N 3.41Å; I138-Y142 WeakPolarHBondContact O-CB 3.23Å; I138-Y142 PolarHBondContact O-N 3.07Å
139S92.3Very high90.9Very high76 Ų76102.5 Ų102.553%0.53150%0.496SS..Hα-helixtrans-64.7-43.8-179.5-58.60000111.9A135 E136 L137 Y142 L143A135-S139 VanDerWaalsContact O-CB 3.27Å; A135-S139 WeakPolarHBondContact O-CB 3.38Å; A135-S139 PolarHBondContact O-N 3.45Å; A135-S139 PolarHBondContact O-OG 3.16Å; E136-S139 PolarHBondContact O-N 2.88Å; L137-S139 VanDerWaalsContact C-N 3.34Å; S139-Y142 PolarHBondContact O-N 2.89Å; S139-L143 WeakPolarHBondContact O-CB 3.48Å; S139-L143 PolarHBondContact O-N 3.44Å
140L87.9Confident91Very high92 Ų92101.9 Ų101.948%0.48249%0.493SS..Hα-helixtrans-63-46.8174.9-79.8164.4000111.7E136 L137 Y142 L143 F144E136-L140 WeakPolarHBondContact O-CB 3.34Å; E136-L140 PolarHBondContact O-N 3.04Å; L137-L140 PolarHBondContact O-N 3.4Å; L140-Y142 VanDerWaalsContact C-N 3.32Å; L140-Y142 PolarHBondContact O-N 3.24Å; L140-L143 WeakPolarHBondContact O-CB 3.27Å; L140-L143 PolarHBondContact O-N 2.9Å; L140-F144 WeakPolarHBondContact O-CD2 3.29Å; L140-F144 PolarHBondContact O-N 3.28Å
141S84.6Confident90.7Very high79 Ų7997 Ų9755%0.55248%0.484SS*.Hα-helixtrans-58.7-43.9176.8-177.70000111.7L137 I138 F144 H145L137-S141 VanDerWaalsContact O-CB 3.3Å; L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 2.98Å; I138-S141 PolarHBondContact O-N 3.41Å; S141-F144 PolarHBondContact O-N 3.23Å; S141-H145 WeakPolarHBondContact O-CB 3.43Å; S141-H145 PolarHBondContact O-N 3.2Å
142Y93.3Very high90.6Very high157 Ų15793.9 Ų93.962%0.61648%0.476SS*.Hα-helixtrans-64.6-41.8175.7-176.9-99.2000112.2I138 S139 L140 F144 H145 Y146I138-Y142 WeakPolarHBondContact O-CB 3.23Å; I138-Y142 PolarHBondContact O-N 3.07Å; S139-Y142 PolarHBondContact O-N 2.89Å; L140-Y142 VanDerWaalsContact C-N 3.32Å; L140-Y142 PolarHBondContact O-N 3.24Å; Y142-F144 PolarHBondContact O-N 3.04Å; Y142-H145 PolarHBondContact O-N 3.38Å; Y142-Y146 VanDerWaalsContact O-CB 3.27Å; Y142-Y146 WeakPolarHBondContact O-CB 3.48Å; Y142-Y146 PolarHBondContact O-N 2.98Å
143L92.6Very high90.6Very high82 Ų8295.1 Ų95.143%0.42948%0.481SS..Hα-helixtrans-59-46.1176-179.864.6000111.4S139 L140 Y146 Q147S139-L143 WeakPolarHBondContact O-CB 3.48Å; S139-L143 PolarHBondContact O-N 3.44Å; L140-L143 WeakPolarHBondContact O-CB 3.27Å; L140-L143 PolarHBondContact O-N 2.9Å; L143-Y146 PolarHBondContact O-N 3.44Å; L143-Q147 WeakPolarHBondContact O-CB 3.2Å; L143-Q147 WeakPolarHBondContact O-CG 3.4Å; L143-Q147 PolarHBondContact O-N 3.4Å
144F80.4Confident90.7Very high104 Ų10495.8 Ų95.846%0.45649%0.49SS..Hα-helixtrans-65.1-42.6176.4-72.2-57.3000112.3L140 S141 Y142 Y146 Q147 K148 Y456L140-F144 WeakPolarHBondContact O-CD2 3.29Å; L140-F144 PolarHBondContact O-N 3.28Å; S141-F144 PolarHBondContact O-N 3.23Å; Y142-F144 PolarHBondContact O-N 3.04Å; F144-Y146 VanDerWaalsContact C-N 3.3Å; F144-Y146 PolarHBondContact O-N 2.73Å; F144-Q147 PolarHBondContact O-N 2.92Å; F144-K148 VanDerWaalsContact O-CB 3.27Å; F144-K148 WeakPolarHBondContact O-CB 3.3Å; F144-K148 PolarHBondContact O-N 3.29Å; F144-Y456 HydrophobicContact CE1-CD1 4.49Å; F144-Y456 HydrophobicContact CE1-CE1 4.42Å
145H90.4Very high90.6Very high113 Ų11397.9 Ų97.952%0.52349%0.494SS..Hα-helixtrans-59.1-44.9174.5-179.484000111.1S141 Y142 K148 C149S141-H145 WeakPolarHBondContact O-CB 3.43Å; S141-H145 PolarHBondContact O-N 3.2Å; Y142-H145 PolarHBondContact O-N 3.38Å; H145-K148 PolarHBondContact O-N 2.93Å; H145-C149 PolarHBondContact NE2-SG 3.39Å; H145-C149 VanDerWaalsContact NE2-SG 3.43Å; H145-C149 VanDerWaalsContact O-CB 3.32Å; H145-C149 WeakPolarHBondContact O-CB 3.09Å; H145-C149 PolarHBondContact O-N 3.4Å; H145-C149 PolarHBondContact O-SG 3.49Å; H145-C149 VanDerWaalsContact O-SG 3.38Å
146Y93.8Very high90.6Very high115 Ų115100.6 Ų100.645%0.45150%0.498SS..Hα-helixtrans-61.9-50.3177.7178.2-99.2000111.6Y142 L143 F144 K148 C149 Q150Y142-Y146 VanDerWaalsContact O-CB 3.27Å; Y142-Y146 WeakPolarHBondContact O-CB 3.48Å; Y142-Y146 PolarHBondContact O-N 2.98Å; L143-Y146 PolarHBondContact O-N 3.44Å; F144-Y146 VanDerWaalsContact C-N 3.3Å; F144-Y146 PolarHBondContact O-N 2.73Å; Y146-K148 PolarHBondContact O-N 2.68Å; Y146-C149 WeakPolarHBondContact O-CB 3.46Å; Y146-C149 PolarHBondContact O-N 2.91Å; Y146-Q150 HydrophobicContact CD1-CG 4.23Å; Y146-Q150 HydrophobicContact CE1-CG 3.82Å; Y146-Q150 HydrophobicContact CE2-CG 4.29Å; Y146-Q150 VanDerWaalsContact CZ-NE2 3.3Å; Y146-Q150 WeakPolarHBondContact O-CG 3.08Å; Y146-Q150 PolarHBondContact O-N 2.68Å; Y146-Q150 PolarHBondContact OH-NE2 3.42Å
147Q89.9Confident91Very high99 Ų9999 Ų9946%0.46350%0.499SS..Hα-helixtrans-58.5-45.4176.6-74178.9-5.700111.7L143 F144 C149 Q150 V151L143-Q147 WeakPolarHBondContact O-CB 3.2Å; L143-Q147 WeakPolarHBondContact O-CG 3.4Å; L143-Q147 PolarHBondContact O-N 3.4Å; F144-Q147 PolarHBondContact O-N 2.92Å; Q147-C149 PolarHBondContact O-N 2.94Å; Q147-Q150 WeakPolarHBondContact O-CB 3.49Å; Q147-Q150 PolarHBondContact O-N 3.47Å; Q147-Q150 VanDerWaalsContact O-N 3.15Å; Q147-V151 WeakPolarHBondContact O-CG2 3.35Å; Q147-V151 PolarHBondContact O-N 2.82Å
148K87.4Confident91.2Very high159 Ų159100.6 Ų100.669%0.69150%0.502SS*.Hα-helixtrans-60.7-43.9175.8-176.6178-178.2175.20111.8F144 H145 Y146 Q150 V151 K152F144-K148 VanDerWaalsContact O-CB 3.27Å; F144-K148 WeakPolarHBondContact O-CB 3.3Å; F144-K148 PolarHBondContact O-N 3.29Å; H145-K148 PolarHBondContact O-N 2.93Å; Y146-K148 PolarHBondContact O-N 2.68Å; K148-Q150 VanDerWaalsContact C-N 3.33Å; K148-Q150 PolarHBondContact O-N 2.67Å; K148-V151 PolarHBondContact O-N 2.84Å; K148-K152 VanDerWaalsContact O-CB 3.27Å; K148-K152 WeakPolarHBondContact O-CB 3.19Å; K148-K152 PolarHBondContact O-N 2.82Å
149C93.4Very high91.2Very high42 Ų42103.5 Ų103.528%0.28451%0.505SS..Hα-helixtrans-61.8-40.1174.6-80.30000111.7H145 Y146 Q147 K152 K153H145-C149 PolarHBondContact NE2-SG 3.39Å; H145-C149 VanDerWaalsContact NE2-SG 3.43Å; H145-C149 VanDerWaalsContact O-CB 3.32Å; H145-C149 WeakPolarHBondContact O-CB 3.09Å; H145-C149 PolarHBondContact O-N 3.4Å; H145-C149 PolarHBondContact O-SG 3.49Å; H145-C149 VanDerWaalsContact O-SG 3.38Å; Y146-C149 WeakPolarHBondContact O-CB 3.46Å; Y146-C149 PolarHBondContact O-N 2.91Å; Q147-C149 PolarHBondContact O-N 2.94Å; C149-K152 PolarHBondContact O-N 3.49Å; C149-K153 WeakPolarHBondContact O-CB 3.34Å; C149-K153 VanDerWaalsContact O-CG 3.28Å; C149-K153 WeakPolarHBondContact O-CG 3.46Å; C149-K153 PolarHBondContact O-N 2.92Å
150Q92.9Very high91.3Very high69 Ų69105.9 Ų105.932%0.32251%0.506SS..Hα-helixtrans-64.5-48.8175.7-71-61.5-13.100111.9Y146 Q147 K148 K152 K153 T154Y146-Q150 HydrophobicContact CD1-CG 4.23Å; Y146-Q150 HydrophobicContact CE1-CG 3.82Å; Y146-Q150 HydrophobicContact CE2-CG 4.29Å; Y146-Q150 VanDerWaalsContact CZ-NE2 3.3Å; Y146-Q150 WeakPolarHBondContact O-CG 3.08Å; Y146-Q150 PolarHBondContact O-N 2.68Å; Y146-Q150 PolarHBondContact OH-NE2 3.42Å; Q147-Q150 WeakPolarHBondContact O-CB 3.49Å; Q147-Q150 PolarHBondContact O-N 3.47Å; Q147-Q150 VanDerWaalsContact O-N 3.15Å; K148-Q150 VanDerWaalsContact C-N 3.33Å; K148-Q150 PolarHBondContact O-N 2.67Å; Q150-K152 VanDerWaalsContact C-N 3.31Å; Q150-K152 PolarHBondContact O-N 2.95Å; Q150-K153 PolarHBondContact O-N 3.13Å; Q150-T154 PolarHBondContact O-N 3.19Å; Q150-T154 PolarHBondContact O-OG1 3.3Å; Q150-T154 VanDerWaalsContact O-OG1 3.08Å
151V88.3Confident91.7Very high86 Ų86109.7 Ų109.752%0.52151%0.514SS..Hα-helixtrans-59.2-44.1175.5173.50000110.7Q147 K148 K153 T154 L155Q147-V151 WeakPolarHBondContact O-CG2 3.35Å; Q147-V151 PolarHBondContact O-N 2.82Å; K148-V151 PolarHBondContact O-N 2.84Å; V151-K153 PolarHBondContact O-N 3.27Å; V151-T154 PolarHBondContact O-N 3.13Å; V151-L155 HydrophobicContact CG1-CD1 3.9Å; V151-L155 HydrophobicContact CG1-CG 4.27Å; V151-L155 WeakPolarHBondContact O-CB 3.5Å; V151-L155 WeakPolarHBondContact O-CG 3.2Å; V151-L155 PolarHBondContact O-N 3.46Å
152K92.3Very high92Very high127 Ų127111.1 Ų111.155%0.55251%0.512SS*.Hα-helixtrans-60.9-44.3177.1-171.9177.1179.7-178.10111.6K148 C149 Q150 L155 Q156K148-K152 VanDerWaalsContact O-CB 3.27Å; K148-K152 WeakPolarHBondContact O-CB 3.19Å; K148-K152 PolarHBondContact O-N 2.82Å; C149-K152 PolarHBondContact O-N 3.49Å; Q150-K152 VanDerWaalsContact C-N 3.31Å; Q150-K152 PolarHBondContact O-N 2.95Å; K152-L155 PolarHBondContact O-N 3.14Å; K152-Q156 WeakPolarHBondContact O-CB 3.3Å; K152-Q156 VanDerWaalsContact O-CG 3.24Å; K152-Q156 WeakPolarHBondContact O-CG 3.43Å; K152-Q156 PolarHBondContact O-N 3.41Å
153K95.1Very high92Very high126 Ų126107.1 Ų107.155%0.54850%0.501SS..Hα-helixtrans-60.9-46174.7-77176.7-179.8-177.30111.3C149 Q150 V151 L155 Q156 A157C149-K153 WeakPolarHBondContact O-CB 3.34Å; C149-K153 VanDerWaalsContact O-CG 3.28Å; C149-K153 WeakPolarHBondContact O-CG 3.46Å; C149-K153 PolarHBondContact O-N 2.92Å; Q150-K153 PolarHBondContact O-N 3.13Å; V151-K153 PolarHBondContact O-N 3.27Å; K153-L155 PolarHBondContact O-N 2.77Å; K153-Q156 PolarHBondContact O-N 3.25Å; K153-A157 VanDerWaalsContact O-CB 3.32Å; K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 3.15Å
154T92.8Very high92.2Very high92 Ų92105.5 Ų105.556%0.56449%0.492SS*.Hα-helixtrans-62.5-43177.6-59.70000112Q150 V151 A157 K158Q150-T154 PolarHBondContact O-N 3.19Å; Q150-T154 PolarHBondContact O-OG1 3.3Å; Q150-T154 VanDerWaalsContact O-OG1 3.08Å; V151-T154 PolarHBondContact O-N 3.13Å; T154-A157 PolarHBondContact O-N 3.31Å; T154-K158 WeakPolarHBondContact O-CB 3.28Å; T154-K158 PolarHBondContact O-N 2.74Å
155L90.3Very high92.8Very high88 Ų88103.6 Ų103.646%0.46149%0.487SS..Hα-helixtrans-65.9-42.3175.9-73.2174.5000111.9V151 K152 K153 K158 R159V151-L155 HydrophobicContact CG1-CD1 3.9Å; V151-L155 HydrophobicContact CG1-CG 4.27Å; V151-L155 WeakPolarHBondContact O-CB 3.5Å; V151-L155 WeakPolarHBondContact O-CG 3.2Å; V151-L155 PolarHBondContact O-N 3.46Å; K152-L155 PolarHBondContact O-N 3.14Å; K153-L155 PolarHBondContact O-N 2.77Å; L155-K158 PolarHBondContact O-N 3.43Å; L155-R159 WeakPolarHBondContact O-CB 3.46Å; L155-R159 WeakPolarHBondContact O-CG 3.47Å; L155-R159 PolarHBondContact O-N 3.18Å
156Q95.6Very high92.9Very high109 Ų109105.1 Ų105.151%0.50949%0.489SS..Hα-helixtrans-62.2-45174.4-77175.3-24.200111K152 K153 K158 R159 F160K152-Q156 WeakPolarHBondContact O-CB 3.3Å; K152-Q156 VanDerWaalsContact O-CG 3.24Å; K152-Q156 WeakPolarHBondContact O-CG 3.43Å; K152-Q156 PolarHBondContact O-N 3.41Å; K153-Q156 PolarHBondContact O-N 3.25Å; Q156-K158 PolarHBondContact O-N 3.26Å; Q156-R159 PolarHBondContact O-N 3.48Å; Q156-F160 VanDerWaalsContact O-CB 3.23Å; Q156-F160 WeakPolarHBondContact O-CB 3.47Å; Q156-F160 PolarHBondContact O-N 3.18Å
157A95.2Very high92.9Very high50 Ų50107 Ų10741%0.41350%0.495SS..Hα-helixtrans-62.6-41.3175.800000111.9K153 T154 F160 R161K153-A157 VanDerWaalsContact O-CB 3.32Å; K153-A157 WeakPolarHBondContact O-CB 3.49Å; K153-A157 PolarHBondContact O-N 3.15Å; T154-A157 PolarHBondContact O-N 3.31Å; A157-F160 PolarHBondContact O-N 3.43Å; A157-R161 VanDerWaalsContact O-CB 3.27Å; A157-R161 WeakPolarHBondContact O-CB 3.48Å; A157-R161 PolarHBondContact O-N 3.02Å
158K94.1Very high93Very high128 Ų128110.6 Ų110.656%0.55750%0.504SS*.Hα-helixtrans-62.2-47.8174.6-175.5176.3-179.3177.20111.3T154 L155 Q156 R161 Q162T154-K158 WeakPolarHBondContact O-CB 3.28Å; T154-K158 PolarHBondContact O-N 2.74Å; L155-K158 PolarHBondContact O-N 3.43Å; Q156-K158 PolarHBondContact O-N 3.26Å; K158-R161 PolarHBondContact O-N 2.97Å; K158-Q162 WeakPolarHBondContact O-CB 3.45Å; K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.42Å; K158-Q162 PolarHBondContact O-N 3.43Å
159R92.2Very high93.2Very high181 Ų181110.9 Ų110.968%0.68350%0.501SS*.Hα-helixtrans-62.6-42.3176.7-75.1179.1177.7-178.20.4111.8L155 Q156 Q162 L163L155-R159 WeakPolarHBondContact O-CB 3.46Å; L155-R159 WeakPolarHBondContact O-CG 3.47Å; L155-R159 PolarHBondContact O-N 3.18Å; Q156-R159 PolarHBondContact O-N 3.48Å; R159-Q162 WeakPolarHBondContact O-CB 3.38Å; R159-Q162 PolarHBondContact O-N 2.93Å; R159-L163 WeakPolarHBondContact O-CB 3.35Å; R159-L163 PolarHBondContact O-N 3.11Å
160F95.1Very high93.1Very high126 Ų126110.4 Ų110.455%0.55350%0.5SS*.Hα-helixtrans-64.5-43.3176.9-173-109000111.5Q156 A157 L163 I164Q156-F160 VanDerWaalsContact O-CB 3.23Å; Q156-F160 WeakPolarHBondContact O-CB 3.47Å; Q156-F160 PolarHBondContact O-N 3.18Å; A157-F160 PolarHBondContact O-N 3.43Å; F160-L163 WeakPolarHBondContact O-CB 3.35Å; F160-L163 PolarHBondContact O-N 2.94Å; F160-I164 HydrophobicContact CD1-CD1 3.6Å; F160-I164 HydrophobicContact CD1-CG1 4.43Å; F160-I164 HydrophobicContact CE1-CD1 3.19Å; F160-I164 HydrophobicContact CE1-CG1 4.18Å; F160-I164 HydrophobicContact CE2-CD1 4.43Å; F160-I164 HydrophobicContact CG-CD1 4.39Å; F160-I164 HydrophobicContact CZ-CD1 3.66Å; F160-I164 HydrophobicContact CZ-CG1 4.28Å; F160-I164 WeakPolarHBondContact O-CG1 3.44Å; F160-I164 PolarHBondContact O-N 3.39Å
161R95.1Very high93.1Very high172 Ų172111.1 Ų111.165%0.64950%0.504SS*.Hα-helixtrans-62-43.7173.6-169.9-177.5-62.31720.2111.6A157 K158 L163 I164 N165A157-R161 VanDerWaalsContact O-CB 3.27Å; A157-R161 WeakPolarHBondContact O-CB 3.48Å; A157-R161 PolarHBondContact O-N 3.02Å; K158-R161 PolarHBondContact O-N 2.97Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 3.12Å; R161-I164 PolarHBondContact O-N 3.15Å; R161-N165 WeakPolarHBondContact O-CB 3.39Å; R161-N165 PolarHBondContact O-N 2.94Å
162Q92.2Very high93.3Very high108 Ų108112.6 Ų112.651%0.50551%0.505SS..Hα-helixtrans-59.8-42.9174-76.3174.1-25.100111.5K158 R159 N165 Y166K158-Q162 WeakPolarHBondContact O-CB 3.45Å; K158-Q162 VanDerWaalsContact O-CG 3.3Å; K158-Q162 WeakPolarHBondContact O-CG 3.42Å; K158-Q162 PolarHBondContact O-N 3.43Å; R159-Q162 WeakPolarHBondContact O-CB 3.38Å; R159-Q162 PolarHBondContact O-N 2.93Å; Q162-N165 PolarHBondContact O-N 3.42Å; Q162-Y166 VanDerWaalsContact O-CB 3.31Å; Q162-Y166 WeakPolarHBondContact O-CB 3.26Å; Q162-Y166 PolarHBondContact O-N 3.18Å
163L93.9Very high93.1Very high73 Ų73113.5 Ų113.538%0.38250%0.504SS..Hα-helixtrans-65.1-44.1177.3-17963.4000112R159 F160 R161 Y166 R167R159-L163 WeakPolarHBondContact O-CB 3.35Å; R159-L163 PolarHBondContact O-N 3.11Å; F160-L163 WeakPolarHBondContact O-CB 3.35Å; F160-L163 PolarHBondContact O-N 2.94Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-L163 PolarHBondContact O-N 3.12Å; L163-Y166 WeakPolarHBondContact O-CB 3.36Å; L163-Y166 PolarHBondContact O-N 3.36Å; L163-R167 WeakPolarHBondContact O-CB 3.36Å; L163-R167 WeakPolarHBondContact O-CG 3.39Å; L163-R167 PolarHBondContact O-N 3.4Å
164I95Very high92.9Very high48 Ų48114.4 Ų114.425%0.24651%0.508CS..Hα-helixtrans-61.8-47.8174.7-72.3171.4000110.2F160 R161 Y166 R167 R168F160-I164 HydrophobicContact CD1-CD1 3.6Å; F160-I164 HydrophobicContact CD1-CG1 4.43Å; F160-I164 HydrophobicContact CE1-CD1 3.19Å; F160-I164 HydrophobicContact CE1-CG1 4.18Å; F160-I164 HydrophobicContact CE2-CD1 4.43Å; F160-I164 HydrophobicContact CG-CD1 4.39Å; F160-I164 HydrophobicContact CZ-CD1 3.66Å; F160-I164 HydrophobicContact CZ-CG1 4.28Å; F160-I164 WeakPolarHBondContact O-CG1 3.44Å; F160-I164 PolarHBondContact O-N 3.39Å; R161-I164 PolarHBondContact O-N 3.15Å; I164-Y166 VanDerWaalsContact C-N 3.26Å; I164-Y166 PolarHBondContact O-N 3.09Å; I164-R167 PolarHBondContact O-N 2.81Å; I164-R167 VanDerWaalsContact O-N 3.16Å; I164-R168 HydrophobicContact CG2-CG 4.21Å; I164-R168 WeakPolarHBondContact O-CB 3.27Å; I164-R168 WeakPolarHBondContact O-CG 3Å; I164-R168 PolarHBondContact O-N 3.34Å
165N94.6Very high93Very high64 Ų64116.3 Ų116.334%0.34251%0.511SS..Hα-helixtrans-61.1-38.7178.6-72.7-8.5000111.3R161 Q162 R169R161-N165 WeakPolarHBondContact O-CB 3.39Å; R161-N165 PolarHBondContact O-N 2.94Å; Q162-N165 PolarHBondContact O-N 3.42Å; N165-R169 WeakPolarHBondContact O-CB 2.98Å; N165-R169 WeakPolarHBondContact O-CG 3.49Å; N165-R169 PolarHBondContact O-N 2.89Å; N165-R169 PolarHBondContact O-NE 3.5Å
166Y91.5Very high93.2Very high146 Ų146115.1 Ų115.157%0.57351%0.505SS*.Hα-helixtrans-62-50172.4179-94000111.6Q162 L163 I164 R168 R169 A170Q162-Y166 VanDerWaalsContact O-CB 3.31Å; Q162-Y166 WeakPolarHBondContact O-CB 3.26Å; Q162-Y166 PolarHBondContact O-N 3.18Å; L163-Y166 WeakPolarHBondContact O-CB 3.36Å; L163-Y166 PolarHBondContact O-N 3.36Å; I164-Y166 VanDerWaalsContact C-N 3.26Å; I164-Y166 PolarHBondContact O-N 3.09Å; Y166-R168 PolarHBondContact O-N 3.06Å; Y166-R169 PolarHBondContact O-N 3.37Å; Y166-A170 WeakPolarHBondContact O-CB 3.47Å; Y166-A170 PolarHBondContact O-N 3.02Å
167R93.8Very high93Very high155 Ų155115.6 Ų115.659%0.58550%0.502SS*.Hα-helixtrans-59.7-44.1177.6-74.1177.6179.5178-0.7112.2L163 I164 A170 E171L163-R167 WeakPolarHBondContact O-CB 3.36Å; L163-R167 WeakPolarHBondContact O-CG 3.39Å; L163-R167 PolarHBondContact O-N 3.4Å; I164-R167 PolarHBondContact O-N 2.81Å; I164-R167 VanDerWaalsContact O-N 3.16Å; R167-A170 PolarHBondContact O-N 3.06Å; R167-E171 PolarHBondContact O-N 3.3Å
168R93.1Very high92.8Very high173 Ų173122.1 Ų122.165%0.65352%0.521SS*.Hα-helixtrans-60.3-46.9175.8-74.3-179.4-176.21730.1111.7I164 Y166 A170 E171 H172I164-R168 HydrophobicContact CG2-CG 4.21Å; I164-R168 WeakPolarHBondContact O-CB 3.27Å; I164-R168 WeakPolarHBondContact O-CG 3Å; I164-R168 PolarHBondContact O-N 3.34Å; Y166-R168 PolarHBondContact O-N 3.06Å; R168-A170 VanDerWaalsContact C-N 3.33Å; R168-A170 PolarHBondContact O-N 3.45Å; R168-E171 PolarHBondContact O-N 3Å; R168-H172 WeakPolarHBondContact O-CB 3.33Å; R168-H172 PolarHBondContact O-N 3.15Å
169R91.4Very high92.7Very high166 Ų166122.3 Ų122.363%0.62652%0.524SS*.Hα-helixtrans-63.8-38.3176-74.8-176.5-66.7-143.94.1112.3N165 Y166 R173N165-R169 WeakPolarHBondContact O-CB 2.98Å; N165-R169 WeakPolarHBondContact O-CG 3.49Å; N165-R169 PolarHBondContact O-N 2.89Å; N165-R169 PolarHBondContact O-NE 3.5Å; Y166-R169 PolarHBondContact O-N 3.37Å; R169-R173 VanDerWaalsContact O-CB 3.28Å; R169-R173 WeakPolarHBondContact O-CB 3.38Å; R169-R173 PolarHBondContact O-N 3.1Å
170A90.6Very high92.6Very high32 Ų32116.1 Ų116.126%0.26450%0.504SS..Hα-helixtrans-64.9-42.2176.200000111.8Y166 R167 R168 R173 K174Y166-A170 WeakPolarHBondContact O-CB 3.47Å; Y166-A170 PolarHBondContact O-N 3.02Å; R167-A170 PolarHBondContact O-N 3.06Å; R168-A170 VanDerWaalsContact C-N 3.33Å; R168-A170 PolarHBondContact O-N 3.45Å; A170-R173 PolarHBondContact O-N 2.67Å; A170-K174 WeakPolarHBondContact O-CB 3.27Å; A170-K174 PolarHBondContact O-N 2.93Å
171E92.3Very high92.3Very high83 Ų83117.7 Ų117.739%0.38851%0.506SS..Hα-helixtrans-68.6-44.6177.3-166.659.4-149.400111.6R167 R168 R173 K174 Q175R167-E171 PolarHBondContact O-N 3.3Å; R168-E171 PolarHBondContact O-N 3Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 2.92Å; E171-K174 WeakPolarHBondContact O-CB 3.36Å; E171-K174 PolarHBondContact O-N 3.09Å; E171-K174 VanDerWaalsContact O-N 3.07Å; E171-K174 IonicContact OE1-NZ 3.92Å; E171-Q175 WeakPolarHBondContact O-CG 3.24Å; E171-Q175 PolarHBondContact O-N 2.8Å
172H92.6Very high92.1Very high117 Ų117113.4 Ų113.454%0.54250%0.503SS..Hα-helixtrans-56.7-44.5172.5178.2-91.6000111.6R168 K174 Q175 N176R168-H172 WeakPolarHBondContact O-CB 3.33Å; R168-H172 PolarHBondContact O-N 3.15Å; H172-K174 VanDerWaalsContact C-N 3.34Å; H172-K174 PolarHBondContact O-N 3.19Å; H172-Q175 PolarHBondContact O-N 2.79Å; H172-N176 PolarHBondContact CD2-ND2 2.88Å; H172-N176 PolarHBondContact CE1-ND2 3.34Å; H172-N176 PolarHBondContact NE2-ND2 3.31Å; H172-N176 WeakPolarHBondContact O-CB 3.13Å; H172-N176 PolarHBondContact O-N 3.47Å; H172-N176 PolarHBondContact O-ND2 3.35Å
173R88.8Confident92.1Very high146 Ų146110 Ų11055%0.55149%0.491SS*.Hα-helixtrans-61.6-41.8174.8-175.3-177.869172.12.9111.6R169 A170 E171 N176 W177 I180R169-R173 VanDerWaalsContact O-CB 3.28Å; R169-R173 WeakPolarHBondContact O-CB 3.38Å; R169-R173 PolarHBondContact O-N 3.1Å; A170-R173 PolarHBondContact O-N 2.67Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 2.92Å; R173-N176 CarbonylContact O-C 3.42Å; R173-W177 HydrophobicContact CG-CE3 4.31Å; R173-W177 VanDerWaalsContact O-CA 3.29Å; R173-W177 WeakPolarHBondContact O-CA 3.45Å; R173-W177 VanDerWaalsContact O-CB 3.31Å; R173-W177 WeakPolarHBondContact O-CB 3.3Å; R173-W177 PolarHBondContact O-N 3.12Å; R173-I180 HydrophobicContact CG-CD1 4.48Å
174K92Very high92.1Very high145 Ų145113.3 Ų113.363%0.6350%0.502SS*.Hα-helixtrans-63.5-47.5178.9179.3-172.5170.8-1630111.4A170 E171 H172 W177A170-K174 WeakPolarHBondContact O-CB 3.27Å; A170-K174 PolarHBondContact O-N 2.93Å; E171-K174 WeakPolarHBondContact O-CB 3.36Å; E171-K174 PolarHBondContact O-N 3.09Å; E171-K174 VanDerWaalsContact O-N 3.07Å; E171-K174 IonicContact OE1-NZ 3.92Å; H172-K174 VanDerWaalsContact C-N 3.34Å; H172-K174 PolarHBondContact O-N 3.19Å; K174-W177 WeakPolarHBondContact O-CB 3.49Å; K174-W177 PolarHBondContact O-N 3.45Å
175Q94.6Very high92Very high132 Ų132113.1 Ų113.162%0.61750%0.498SS*.Hα-helixtrans-62-43.8178.8-70173.3-0.500111.4E171 H172 W177E171-Q175 WeakPolarHBondContact O-CG 3.24Å; E171-Q175 PolarHBondContact O-N 2.8Å; H172-Q175 PolarHBondContact O-N 2.79Å; Q175-W177 VanDerWaalsContact C-N 3.31Å; Q175-W177 PolarHBondContact O-N 2.9Å
176N93.5Very high92Very high63 Ų63113.6 Ų113.634%0.33750%0.504SS..THydrogen-bonded Turntrans-88.65.9-178.8-64.5-26.6000113.5H172 R173 K178 H179 I180H172-N176 PolarHBondContact CD2-ND2 2.88Å; H172-N176 PolarHBondContact CE1-ND2 3.34Å; H172-N176 PolarHBondContact NE2-ND2 3.31Å; H172-N176 WeakPolarHBondContact O-CB 3.13Å; H172-N176 PolarHBondContact O-N 3.47Å; H172-N176 PolarHBondContact O-ND2 3.35Å; R173-N176 CarbonylContact O-C 3.42Å; N176-K178 VanDerWaalsContact C-N 3.33Å; N176-K178 PolarHBondContact O-N 2.81Å; N176-H179 PolarHBondContact O-N 2.88Å; N176-I180 HydrophobicContact CB-CD1 4.04Å; N176-I180 HydrophobicContact CB-CG1 4.42Å; N176-I180 WeakPolarHBondContact O-CG1 3.11Å; N176-I180 PolarHBondContact O-N 2.91Å
177W91.8Very high92.1Very high120 Ų120108.8 Ų108.846%0.45549%0.487SS..Hα-helixtrans-61.8-39.6-170.6-177.7-117.5000112.8R173 K174 Q175 H179 I180 R181R173-W177 HydrophobicContact CG-CE3 4.31Å; R173-W177 VanDerWaalsContact O-CA 3.29Å; R173-W177 WeakPolarHBondContact O-CA 3.45Å; R173-W177 VanDerWaalsContact O-CB 3.31Å; R173-W177 WeakPolarHBondContact O-CB 3.3Å; R173-W177 PolarHBondContact O-N 3.12Å; K174-W177 WeakPolarHBondContact O-CB 3.49Å; K174-W177 PolarHBondContact O-N 3.45Å; Q175-W177 VanDerWaalsContact C-N 3.31Å; Q175-W177 PolarHBondContact O-N 2.9Å; W177-H179 VanDerWaalsContact C-N 3.34Å; W177-H179 PolarHBondContact O-N 3.3Å; W177-I180 HydrophobicContact CE3-CB 4.47Å; W177-I180 HydrophobicContact CE3-CG2 4.36Å; W177-I180 HydrophobicContact CZ3-CG2 4.24Å; W177-I180 PolarHBondContact O-N 3.45Å; W177-R181 WeakPolarHBondContact O-CB 3.47Å; W177-R181 PolarHBondContact O-N 2.88Å
178K91.8Very high92.2Very high186 Ų186106.4 Ų106.481%0.80949%0.485SS*.Hα-helixtrans-59.2-46.5178.6-68.2-174.3180-178.20111.3N176 R181 S182N176-K178 VanDerWaalsContact C-N 3.33Å; N176-K178 PolarHBondContact O-N 2.81Å; K178-R181 PolarHBondContact O-N 3.37Å; K178-S182 PolarHBondContact O-N 2.94Å; K178-S182 VanDerWaalsContact O-N 3.09Å; K178-S182 PolarHBondContact O-OG 3.23Å
179H92.1Very high92.3Very high132 Ų13299 Ų9961%0.61146%0.458SS*.Hα-helixtrans-65.1-48.6176.6175.6-80.1000111.8N176 W177 R181 S182 S183N176-H179 PolarHBondContact O-N 2.88Å; W177-H179 VanDerWaalsContact C-N 3.34Å; W177-H179 PolarHBondContact O-N 3.3Å; H179-R181 VanDerWaalsContact C-N 3.25Å; H179-R181 PolarHBondContact O-N 3.44Å; H179-S182 PolarHBondContact O-N 3.31Å; H179-S182 PolarHBondContact O-OG 3.3Å; H179-S183 WeakPolarHBondContact O-CB 3.48Å; H179-S183 PolarHBondContact O-N 2.99Å; H179-S183 PolarHBondContact O-OG 3.48Å
180I88.5Confident92.4Very high51 Ų5197.2 Ų97.226%0.26246%0.459SS..Hα-helixtrans-58.8-40.5178.8-66.8166.5000110.6R173 N176 W177 S183 R185R173-I180 HydrophobicContact CG-CD1 4.48Å; N176-I180 HydrophobicContact CB-CD1 4.04Å; N176-I180 HydrophobicContact CB-CG1 4.42Å; N176-I180 WeakPolarHBondContact O-CG1 3.11Å; N176-I180 PolarHBondContact O-N 2.91Å; W177-I180 HydrophobicContact CE3-CB 4.47Å; W177-I180 HydrophobicContact CE3-CG2 4.36Å; W177-I180 HydrophobicContact CZ3-CG2 4.24Å; W177-I180 PolarHBondContact O-N 3.45Å; I180-S183 WeakPolarHBondContact CA-OG 3.25Å; I180-S183 PolarHBondContact O-N 2.96Å; I180-S183 PolarHBondContact O-OG 3.45Å; I180-R185 WeakPolarHBondContact O-CD 3.41Å; I180-R185 PolarHBondContact O-NH1 3.32Å
181R89.3Confident92.4Very high160 Ų16096 Ų9660%0.60445%0.449SS*.Hα-helixtrans-68.6-33.8179.2-175.9178176.4178.3-0.2112.8W177 K178 H179 R185W177-R181 WeakPolarHBondContact O-CB 3.47Å; W177-R181 PolarHBondContact O-N 2.88Å; K178-R181 PolarHBondContact O-N 3.37Å; H179-R181 VanDerWaalsContact C-N 3.25Å; H179-R181 PolarHBondContact O-N 3.44Å; R181-R185 PolarHBondContact O-NH1 3.01Å
182S90.5Very high92.2Very high82 Ų8295.4 Ų95.457%0.57345%0.454SS*.Hα-helixtrans-83.5-22.4176.957.30000113.5K178 H179K178-S182 PolarHBondContact O-N 2.94Å; K178-S182 VanDerWaalsContact O-N 3.09Å; K178-S182 PolarHBondContact O-OG 3.23Å; H179-S182 PolarHBondContact O-N 3.31Å; H179-S182 PolarHBondContact O-OG 3.3Å
183S93Very high92Very high37 Ų3792.5 Ų92.526%0.25944%0.442SS..SBendtrans-82.1152.3179.262.20000112.7H179 I180 R185H179-S183 WeakPolarHBondContact O-CB 3.48Å; H179-S183 PolarHBondContact O-N 2.99Å; H179-S183 PolarHBondContact O-OG 3.48Å; I180-S183 WeakPolarHBondContact CA-OG 3.25Å; I180-S183 PolarHBondContact O-N 2.96Å; I180-S183 PolarHBondContact O-OG 3.45Å; S183-R185 PolarHBondContact O-N 3.11Å; S183-R185 PolarHBondContact O-NH1 3.46Å
184K92.9Very high91.8Very high142 Ų14288.8 Ų88.862%0.61745%0.449SS*.  trans-58.9129.4166.6-164.5179-179.2-1670110.1N224 E226K184-N224 CarbonylContact C-O 3.58Å; K184-N224 VanDerWaalsContact CA-O 3.25Å; K184-N224 WeakPolarHBondContact CA-O 3.4Å; K184-E226 WeakPolarHBondContact CE-OE1 3.3Å; K184-E226 IonicContact NZ-OE1 2.91Å; K184-E226 PolarHBondContact NZ-OE1 3.32Å
185R93.1Very high91.6Very high44 Ų4486.3 Ų86.317%0.16644%0.439CS..EExtended strand (participates in β ladder)trans-149.2153.9-173.666.8-173.4177.7-78.4-2.7112.6I180 R181 S183 D222 N224 V225 E226I180-R185 WeakPolarHBondContact O-CD 3.41Å; I180-R185 PolarHBondContact O-NH1 3.32Å; R181-R185 PolarHBondContact O-NH1 3.01Å; S183-R185 PolarHBondContact O-N 3.11Å; S183-R185 PolarHBondContact O-NH1 3.46Å; R185-D222 IonicContact CZ-OD2 3.93Å; R185-D222 IonicContact NH1-OD2 3.83Å; R185-D222 IonicContact NH2-OD2 2.57Å; R185-D222 PolarHBondContact NH2-OD2 2.57Å; R185-N224 PolarHBondContact N-O 2.96Å; R185-V225 HydrophobicContact CG-CG2 4.09Å; R185-V225 WeakPolarHBondContact O-CA 3.49Å; R185-E226 PolarHBondContact O-N 2.61Å
186T94.6Very high91Very high74 Ų7483.2 Ų83.245%0.45443%0.432SS..EExtended strand (participates in β ladder)trans-104.1129.3172.2-46.60000110.1E226 I228T186-E226 CarbonylContact C-O 3.6Å; T186-E226 VanDerWaalsContact CA-O 3.27Å; T186-E226 WeakPolarHBondContact CA-O 3.47Å; T186-E226 HydrophobicContact CG2-CB 4.31Å; T186-I228 HydrophobicContact CG2-CD1 3.82Å; T186-I228 HydrophobicContact CG2-CG1 3.87Å
187I94.3Very high90.1Very high45 Ų4586.4 Ų86.423%0.23145%0.445CS..EExtended strand (participates in β ladder)trans-104.5118.8174.2-59.9-179.2000108.5H189 D219 V225 E226 V227 I228I187-H189 WeakPolarHBondContact CG2-NE2 3.3Å; I187-D219 HydrophobicContact CD1-CB 4.45Å; I187-V225 HydrophobicContact CB-CG1 4.43Å; I187-V225 HydrophobicContact CD1-CG1 3.73Å; I187-V225 HydrophobicContact CD1-CG2 4.23Å; I187-V225 HydrophobicContact CG1-CG1 3.94Å; I187-E226 PolarHBondContact N-O 3.07Å; I187-V227 WeakPolarHBondContact O-CA 3.29Å; I187-I228 PolarHBondContact O-N 2.53Å
188I96.1Very high89.1Confident105 Ų10584.9 Ų84.954%0.53845%0.452SS..EExtended strand (participates in β ladder)trans-97.8111174.4-51.1178000108.5I190 I228 I230I188-I190 HydrophobicContact CG2-CG1 4.35Å; I188-I228 CarbonylContact C-O 3.55Å; I188-I228 VanDerWaalsContact CA-O 3.32Å; I188-I228 WeakPolarHBondContact CA-O 3.49Å; I188-I228 HydrophobicContact CG1-CB 4.24Å; I188-I228 HydrophobicContact CG1-CD1 4.36Å; I188-I228 HydrophobicContact CG2-CB 4.43Å; I188-I228 HydrophobicContact CG2-CG2 4.44Å; I188-I230 HydrophobicContact CG2-CD1 4.4Å; I188-I230 HydrophobicContact CG2-CG1 4.14Å
189H95.4Very high88.4Confident16 Ų1681 Ų817%0.07443%0.433CS..EExtended strand (participates in β ladder)trans-90.7118.3175.3-72.6-63.8000110.3I187 R216 D219 I228 Y229 I230I187-H189 WeakPolarHBondContact CG2-NE2 3.3Å; H189-R216 HydrophobicContact CB-CB 4.5Å; H189-R216 PolarHBondContact ND1-NH1 2.85Å; H189-R216 PolarHBondContact NE2-O 3.05Å; H189-D219 IonicContact CE1-OD2 2.69Å; H189-D219 PolarHBondContact CE1-OD2 2.97Å; H189-D219 IonicContact NE2-OD2 3.6Å; H189-D219 PolarHBondContact NE2-OD2 2.79Å; H189-I228 PolarHBondContact N-O 3.12Å; H189-Y229 HydrophobicContact CB-CD2 3.81Å; H189-I230 PolarHBondContact O-N 3.33Å
190I93.3Very high87.6Confident129 Ų12979.5 Ų79.566%0.66242%0.422SS*.  trans-109.1104.1172.1-57.4175.4000107.2I188 S192 I230I188-I190 HydrophobicContact CG2-CG1 4.35Å; I190-S192 PolarHBondContact O-N 3.38Å; I190-I230 HydrophobicContact CG1-CG1 4.18Å
191P90.1Very high86.5Confident8 Ų879.2 Ų79.25%0.05242%0.42CS..  trans-71116.9-17326.3-31.6000111Q210 Q213 Y229 I230 P232P191-Q210 HydrophobicContact CB-CB 4.45Å; P191-Q210 PolarHBondContact O-NE2 3.25Å; P191-Q213 HydrophobicContact CB-CB 4.09Å; P191-Y229 HydrophobicContact CB-CE2 4.22Å; P191-Y229 HydrophobicContact CG-CE2 4.06Å; P191-I230 WeakPolarHBondContact CD-O 3.4Å; P191-I230 WeakPolarHBondContact CG-O 3.37Å; P191-P232 HydrophobicContact CG-CG 4.3Å
192S87.1Confident85.6Confident70 Ų7075.5 Ų75.549%0.4942%0.419SS..  trans-142.1135.3177.9-178.10000110.2I190 G194 Q213I190-S192 PolarHBondContact O-N 3.38Å; S192-G194 PolarHBondContact OG-N 2.74Å; S192-Q213 PolarHBondContact O-NE2 2.9Å
193L88.3Confident84.8Confident55 Ų5573 Ų7329%0.28840%0.4SS..  trans-94.20.4177.4-57.2180000112.7F195 Y206 L209 Q210L193-F195 HydrophobicContact CB-CD2 3.61Å; L193-F195 HydrophobicContact CB-CE2 3.49Å; L193-F195 VanDerWaalsContact CB-CE2 3.49Å; L193-F195 HydrophobicContact CB-CG 4.38Å; L193-F195 HydrophobicContact CB-CZ 4.14Å; L193-F195 HydrophobicContact CD1-CD2 4.27Å; L193-F195 HydrophobicContact CD1-CE2 3.68Å; L193-F195 HydrophobicContact CG-CE2 4.22Å; L193-F195 PolarHBondContact O-N 2.86Å; L193-Y206 HydrophobicContact CD1-CE2 3.91Å; L193-L209 HydrophobicContact CD1-CB 3.96Å; L193-Q210 HydrophobicContact CD1-CG 4.4Å; L193-Q210 HydrophobicContact CG-CG 4.26Å
194G86.1Confident83.8Confident69 Ų6979.2 Ų79.271%0.71142%0.418SS*.  trans72.59.5176.400000115.6S192S192-G194 PolarHBondContact OG-N 2.74Å
195F86.8Confident83.1Confident92 Ų9279.7 Ų79.740%0.40442%0.42SS..  trans-74.2154.8-179.8-58.9-48000113.9L193 W199 R200 Y206L193-F195 HydrophobicContact CB-CD2 3.61Å; L193-F195 HydrophobicContact CB-CE2 3.49Å; L193-F195 VanDerWaalsContact CB-CE2 3.49Å; L193-F195 HydrophobicContact CB-CG 4.38Å; L193-F195 HydrophobicContact CB-CZ 4.14Å; L193-F195 HydrophobicContact CD1-CD2 4.27Å; L193-F195 HydrophobicContact CD1-CE2 3.68Å; L193-F195 HydrophobicContact CG-CE2 4.22Å; L193-F195 PolarHBondContact O-N 2.86Å; F195-W199 HydrophobicContact CB-CB 4.5Å; F195-W199 HydrophobicContact CB-CD2 4.46Å; F195-W199 HydrophobicContact CB-CE3 3.85Å; F195-W199 HydrophobicContact CD1-CE3 4.46Å; F195-W199 HydrophobicContact CD2-CD2 4.36Å; F195-W199 AromaticContact CD2-CE3 3.34Å; F195-W199 HydrophobicContact CD2-CE3 3.34Å; F195-W199 HydrophobicContact CD2-CH2 4.06Å; F195-W199 AromaticContact CD2-CZ3 3.17Å; F195-W199 HydrophobicContact CD2-CZ3 3.17Å; F195-W199 AromaticContact CE2-CE3 3.91Å; F195-W199 HydrophobicContact CE2-CE3 3.91Å; F195-W199 AromaticContact CE2-CH2 3.73Å; F195-W199 HydrophobicContact CE2-CH2 3.73Å; F195-W199 AromaticContact CE2-CZ3 3.27Å; F195-W199 HydrophobicContact CE2-CZ3 3.27Å; F195-W199 HydrophobicContact CG-CD2 4.34Å; F195-W199 AromaticContact CG-CE3 3.65Å; F195-W199 HydrophobicContact CG-CE3 3.65Å; F195-W199 AromaticContact CG-CZ3 3.93Å; F195-W199 HydrophobicContact CG-CZ3 3.93Å; F195-W199 HydrophobicContact CZ-CH2 4.24Å; F195-W199 HydrophobicContact CZ-CZ3 4.13Å; F195-R200 HydrophobicContact CB-CG 4.05Å; F195-R200 PolarHBondContact O-NE 3.36Å; F195-Y206 AromaticContact CD2-CE2 3.74Å; F195-Y206 HydrophobicContact CD2-CE2 3.74Å; F195-Y206 HydrophobicContact CE2-CE2 4.25Å
196S82.5Confident82.6Confident68 Ų6878 Ų7848%0.47641%0.414SS..  trans-60154.1175.168.40000111.6S198 W199 R200S196-S198 VanDerWaalsContact C-N 3.3Å; S196-S198 PolarHBondContact O-N 3.01Å; S196-S198 PolarHBondContact OG-OG 3.21Å; S196-S198 VanDerWaalsContact OG-OG 3.13Å; S196-W199 PolarHBondContact O-N 2.9Å; S196-W199 PolarHBondContact OG-N 3.45Å; S196-R200 WeakPolarHBondContact O-CG 3.46Å; S196-R200 PolarHBondContact O-N 3.44Å
197Q73.8Confident82.1Confident130 Ų13077.2 Ų77.261%0.60741%0.406SS*.Hα-helixtrans-58.5-41.7179.3-178.2178.2-3.700112.3W199 R200 L201Q197-W199 VanDerWaalsContact C-N 3.32Å; Q197-W199 PolarHBondContact O-N 2.89Å; Q197-R200 PolarHBondContact O-N 3.02Å; Q197-L201 HydrophobicContact CG-CD1 3.91Å; Q197-L201 HydrophobicContact CG-CG 4.31Å; Q197-L201 WeakPolarHBondContact O-CB 2.98Å; Q197-L201 VanDerWaalsContact O-CG 3.28Å; Q197-L201 WeakPolarHBondContact O-CG 3.35Å; Q197-L201 PolarHBondContact O-N 3.42Å
198S71.7Confident81.7Confident87 Ų8779 Ų7961%0.60842%0.416SS*.Hα-helixtrans-57.2-46.5178.651.70000111.8S196 L201 S202S196-S198 VanDerWaalsContact C-N 3.3Å; S196-S198 PolarHBondContact O-N 3.01Å; S196-S198 PolarHBondContact OG-OG 3.21Å; S196-S198 VanDerWaalsContact OG-OG 3.13Å; S198-L201 PolarHBondContact O-N 3.35Å; S198-S202 PolarHBondContact O-N 2.93Å; S198-S202 PolarHBondContact O-OG 3.2Å
199W77.1Confident81.3Confident106 Ų10677.1 Ų77.140%0.40241%0.406SS..Hα-helixtrans-68.3-43.2-179.7-160.888.8000112F195 S196 Q197 L201 S202 T203 Y206F195-W199 HydrophobicContact CB-CB 4.5Å; F195-W199 HydrophobicContact CB-CD2 4.46Å; F195-W199 HydrophobicContact CB-CE3 3.85Å; F195-W199 HydrophobicContact CD1-CE3 4.46Å; F195-W199 HydrophobicContact CD2-CD2 4.36Å; F195-W199 AromaticContact CD2-CE3 3.34Å; F195-W199 HydrophobicContact CD2-CE3 3.34Å; F195-W199 HydrophobicContact CD2-CH2 4.06Å; F195-W199 AromaticContact CD2-CZ3 3.17Å; F195-W199 HydrophobicContact CD2-CZ3 3.17Å; F195-W199 AromaticContact CE2-CE3 3.91Å; F195-W199 HydrophobicContact CE2-CE3 3.91Å; F195-W199 AromaticContact CE2-CH2 3.73Å; F195-W199 HydrophobicContact CE2-CH2 3.73Å; F195-W199 AromaticContact CE2-CZ3 3.27Å; F195-W199 HydrophobicContact CE2-CZ3 3.27Å; F195-W199 HydrophobicContact CG-CD2 4.34Å; F195-W199 AromaticContact CG-CE3 3.65Å; F195-W199 HydrophobicContact CG-CE3 3.65Å; F195-W199 AromaticContact CG-CZ3 3.93Å; F195-W199 HydrophobicContact CG-CZ3 3.93Å; F195-W199 HydrophobicContact CZ-CH2 4.24Å; F195-W199 HydrophobicContact CZ-CZ3 4.13Å; S196-W199 PolarHBondContact O-N 2.9Å; S196-W199 PolarHBondContact OG-N 3.45Å; Q197-W199 VanDerWaalsContact C-N 3.32Å; Q197-W199 PolarHBondContact O-N 2.89Å; W199-L201 PolarHBondContact O-N 3.28Å; W199-S202 WeakPolarHBondContact CA-OG 3.34Å; W199-S202 PolarHBondContact O-N 3.42Å; W199-S202 PolarHBondContact O-OG 3.14Å; W199-S202 VanDerWaalsContact O-OG 3.07Å; W199-T203 HydrophobicContact CH2-CG2 4.08Å; W199-T203 HydrophobicContact CZ3-CG2 4.07Å; W199-T203 WeakPolarHBondContact CZ3-OG1 3.44Å; W199-T203 WeakPolarHBondContact O-CB 3.47Å; W199-T203 PolarHBondContact O-N 3.3Å; W199-T203 PolarHBondContact O-OG1 3.48Å; W199-Y206 HydrophobicContact CE3-CE2 4.36Å; W199-Y206 HydrophobicContact CZ3-CD2 4Å; W199-Y206 AromaticContact CZ3-CE2 3.92Å; W199-Y206 HydrophobicContact CZ3-CE2 3.92Å
200R75.3Confident81.1Confident100 Ų10078 Ų7838%0.37741%0.41SS..Hα-helixtrans-58.4-33.8174.2-68.4-169.8-71.3125.8-1112.3F195 S196 Q197 Y206 R380F195-R200 HydrophobicContact CB-CG 4.05Å; F195-R200 PolarHBondContact O-NE 3.36Å; S196-R200 WeakPolarHBondContact O-CG 3.46Å; S196-R200 PolarHBondContact O-N 3.44Å; Q197-R200 PolarHBondContact O-N 3.02Å; R200-Y206 HydrophobicContact CB-CD1 4.34Å; R200-Y206 HydrophobicContact CB-CE1 4.1Å; R200-Y206 HydrophobicContact CG-CD1 4.36Å; R200-Y206 HydrophobicContact CG-CE1 3.67Å; R200-Y206 HydrophobicContact CG-CE2 4.17Å; R200-R380 PolarHBondContact O-NH2 3.34Å
201L65.5Low81Confident44 Ų4472.7 Ų72.723%0.2338%0.384CS..Hα-helixtrans-77.6-35.4179.7-71.5176.8000113.4Q197 S198 W199 R380 Q381Q197-L201 HydrophobicContact CG-CD1 3.91Å; Q197-L201 HydrophobicContact CG-CG 4.31Å; Q197-L201 WeakPolarHBondContact O-CB 2.98Å; Q197-L201 VanDerWaalsContact O-CG 3.28Å; Q197-L201 WeakPolarHBondContact O-CG 3.35Å; Q197-L201 PolarHBondContact O-N 3.42Å; S198-L201 PolarHBondContact O-N 3.35Å; W199-L201 PolarHBondContact O-N 3.28Å; L201-R380 PolarHBondContact O-NH2 2.89Å; L201-R380 VanDerWaalsContact O-NH2 3.07Å; L201-Q381 HydrophobicContact CD2-CG 4.09Å
202S69.8Low80.9Confident82 Ų8277.8 Ų77.857%0.57341%0.409SS*.Hα-helixtrans-81.7-23.8-178.857.40000114.3S198 W199S198-S202 PolarHBondContact O-N 2.93Å; S198-S202 PolarHBondContact O-OG 3.2Å; W199-S202 WeakPolarHBondContact CA-OG 3.34Å; W199-S202 PolarHBondContact O-N 3.42Å; W199-S202 PolarHBondContact O-OG 3.14Å; W199-S202 VanDerWaalsContact O-OG 3.07Å
203T73.1Confident81.2Confident29 Ų2976.2 Ų76.218%0.17839%0.394CS..SBendtrans-79.5124.2-174.4-61.80000111.6W199 Y206 L209W199-T203 HydrophobicContact CH2-CG2 4.08Å; W199-T203 HydrophobicContact CZ3-CG2 4.07Å; W199-T203 WeakPolarHBondContact CZ3-OG1 3.44Å; W199-T203 WeakPolarHBondContact O-CB 3.47Å; W199-T203 PolarHBondContact O-N 3.3Å; W199-T203 PolarHBondContact O-OG1 3.48Å; T203-Y206 HydrophobicContact CG2-CD2 4.31Å; T203-L209 HydrophobicContact CG2-CD1 3.92Å
204R73.9Confident81.4Confident169 Ų16973.9 Ų73.964%0.63838%0.382SS*.THydrogen-bonded Turntrans-67.7141.6172.8-71.8-176169.8173.7-3.6110.5Y206R204-Y206 PolarHBondContact O-N 3.48Å
205K77.8Confident81.6Confident152 Ų15274.8 Ų74.866%0.66137%0.374SS*.THydrogen-bonded Turntrans51.938176.9-59.3-178.2176-173.70113.6D207 I208 L209K205-D207 VanDerWaalsContact CA-OD1 3.28Å; K205-D207 WeakPolarHBondContact CA-OD1 3.41Å; K205-D207 PolarHBondContact O-N 3.49Å; K205-I208 HydrophobicContact CB-CB 4.42Å; K205-I208 HydrophobicContact CB-CD1 3.9Å; K205-I208 HydrophobicContact CB-CG1 4.14Å; K205-I208 HydrophobicContact CD-CD1 3.84Å; K205-I208 HydrophobicContact CG-CD1 4.2Å; K205-I208 WeakPolarHBondContact O-CB 3.45Å; K205-I208 PolarHBondContact O-N 2.8Å; K205-I208 VanDerWaalsContact O-N 3.07Å; K205-L209 PolarHBondContact O-N 2.93Å
206Y82.6Confident81.9Confident8 Ų875.6 Ų75.63%0.03137%0.374CS..Hα-helixtrans-62.4-32.2-177.8178.8-108.1000113L193 F195 W199 R200 T203 R204 I208 L209 Q210L193-Y206 HydrophobicContact CD1-CE2 3.91Å; F195-Y206 AromaticContact CD2-CE2 3.74Å; F195-Y206 HydrophobicContact CD2-CE2 3.74Å; F195-Y206 HydrophobicContact CE2-CE2 4.25Å; W199-Y206 HydrophobicContact CE3-CE2 4.36Å; W199-Y206 HydrophobicContact CZ3-CD2 4Å; W199-Y206 AromaticContact CZ3-CE2 3.92Å; W199-Y206 HydrophobicContact CZ3-CE2 3.92Å; R200-Y206 HydrophobicContact CB-CD1 4.34Å; R200-Y206 HydrophobicContact CB-CE1 4.1Å; R200-Y206 HydrophobicContact CG-CD1 4.36Å; R200-Y206 HydrophobicContact CG-CE1 3.67Å; R200-Y206 HydrophobicContact CG-CE2 4.17Å; T203-Y206 HydrophobicContact CG2-CD2 4.31Å; R204-Y206 PolarHBondContact O-N 3.48Å; Y206-I208 VanDerWaalsContact C-N 3.3Å; Y206-I208 PolarHBondContact O-N 3.45Å; Y206-L209 HydrophobicContact CD2-CD1 4.47Å; Y206-L209 WeakPolarHBondContact O-CB 3.43Å; Y206-L209 PolarHBondContact O-N 3Å; Y206-Q210 HydrophobicContact CD1-CG 4.11Å; Y206-Q210 HydrophobicContact CE1-CG 3.56Å; Y206-Q210 HydrophobicContact CE2-CG 4.27Å; Y206-Q210 PolarHBondContact O-N 2.98Å
207D83.1Confident82.4Confident57 Ų5772.4 Ų72.431%0.30535%0.352SS..Hα-helixtrans-53.5-43.3169.853.3-57.6000112K205 Q210 N211 P232 M233K205-D207 VanDerWaalsContact CA-OD1 3.28Å; K205-D207 WeakPolarHBondContact CA-OD1 3.41Å; K205-D207 PolarHBondContact O-N 3.49Å; D207-Q210 PolarHBondContact O-N 3.28Å; D207-N211 WeakPolarHBondContact O-CB 3.49Å; D207-N211 PolarHBondContact O-N 2.91Å; D207-P232 HydrophobicContact CB-CB 4.48Å; D207-P232 WeakPolarHBondContact O-CG 3.33Å; D207-M233 HydrophobicContact CB-CE 3.95Å; D207-M233 WeakPolarHBondContact O-CE 3.32Å
208I86.9Confident83.2Confident82 Ų8267.8 Ų67.842%0.42133%0.334SS..Hα-helixtrans-62.4-45.7175.6-57.1-176.6000110.8K205 Y206 Q210 N211 I212 M233K205-I208 HydrophobicContact CB-CB 4.42Å; K205-I208 HydrophobicContact CB-CD1 3.9Å; K205-I208 HydrophobicContact CB-CG1 4.14Å; K205-I208 HydrophobicContact CD-CD1 3.84Å; K205-I208 HydrophobicContact CG-CD1 4.2Å; K205-I208 WeakPolarHBondContact O-CB 3.45Å; K205-I208 PolarHBondContact O-N 2.8Å; K205-I208 VanDerWaalsContact O-N 3.07Å; Y206-I208 VanDerWaalsContact C-N 3.3Å; Y206-I208 PolarHBondContact O-N 3.45Å; I208-Q210 VanDerWaalsContact C-N 3.31Å; I208-Q210 PolarHBondContact O-N 2.88Å; I208-N211 PolarHBondContact O-N 3.41Å; I208-N211 VanDerWaalsContact O-N 3.1Å; I208-I212 PolarHBondContact O-N 3.4Å; I208-M233 HydrophobicContact CB-CE 4.09Å; I208-M233 HydrophobicContact CG1-CE 3.71Å; I208-M233 HydrophobicContact CG1-SD 4.47Å
209L87.8Confident84.1Confident66 Ų6666.8 Ų66.835%0.34632%0.321SS..Hα-helixtrans-62.1-40.1178-64174.7000111.9L193 T203 K205 Y206 N211 I212L193-L209 HydrophobicContact CD1-CB 3.96Å; T203-L209 HydrophobicContact CG2-CD1 3.92Å; K205-L209 PolarHBondContact O-N 2.93Å; Y206-L209 HydrophobicContact CD2-CD1 4.47Å; Y206-L209 WeakPolarHBondContact O-CB 3.43Å; Y206-L209 PolarHBondContact O-N 3Å; L209-N211 VanDerWaalsContact C-N 3.33Å; L209-I212 HydrophobicContact CD2-CD1 4.29Å
210Q89.8Confident84.7Confident34 Ų3462.4 Ų62.416%0.15931%0.306CS..Hα-helixtrans-64.6-40.5173.5-72.8-175.3-77.700111.4P191 L193 Y206 D207 I208 I212 Q213 P232P191-Q210 HydrophobicContact CB-CB 4.45Å; P191-Q210 PolarHBondContact O-NE2 3.25Å; L193-Q210 HydrophobicContact CD1-CG 4.4Å; L193-Q210 HydrophobicContact CG-CG 4.26Å; Y206-Q210 HydrophobicContact CD1-CG 4.11Å; Y206-Q210 HydrophobicContact CE1-CG 3.56Å; Y206-Q210 HydrophobicContact CE2-CG 4.27Å; Y206-Q210 PolarHBondContact O-N 2.98Å; D207-Q210 PolarHBondContact O-N 3.28Å; I208-Q210 VanDerWaalsContact C-N 3.31Å; I208-Q210 PolarHBondContact O-N 2.88Å; Q210-I212 PolarHBondContact O-N 2.81Å; Q210-Q213 WeakPolarHBondContact O-CB 3.49Å; Q210-Q213 PolarHBondContact O-N 2.84Å; Q210-P232 HydrophobicContact CB-CB 4.31Å; Q210-P232 HydrophobicContact CB-CG 3.95Å
211N91.8Very high85.2Confident19 Ų1966.9 Ų66.910%0.10232%0.323CS..Hα-helixtrans-72.3-10.2-174.9-159.342.9000114.7D207 I208 L209 Q213 I214 Y229 C231 P232 M233D207-N211 WeakPolarHBondContact O-CB 3.49Å; D207-N211 PolarHBondContact O-N 2.91Å; I208-N211 PolarHBondContact O-N 3.41Å; I208-N211 VanDerWaalsContact O-N 3.1Å; L209-N211 VanDerWaalsContact C-N 3.33Å; N211-Q213 PolarHBondContact O-N 2.91Å; N211-I214 VanDerWaalsContact O-CB 3.24Å; N211-I214 WeakPolarHBondContact O-CB 3.27Å; N211-I214 WeakPolarHBondContact O-CG2 3.09Å; N211-I214 PolarHBondContact O-N 2.93Å; N211-Y229 WeakPolarHBondContact CA-OH 3.44Å; N211-Y229 VanDerWaalsContact OD1-CE1 3.31Å; N211-Y229 WeakPolarHBondContact OD1-CE1 3.16Å; N211-Y229 PolarHBondContact OD1-OH 3.36Å; N211-C231 PolarHBondContact OD1-SG 3.31Å; N211-C231 VanDerWaalsContact OD1-SG 3.41Å; N211-P232 HydrophobicContact CB-CG 3.78Å; N211-P232 WeakPolarHBondContact OD1-CD 3.44Å; N211-M233 HydrophobicContact CB-CE 3.55Å; N211-M233 HydrophobicContact CB-SD 4.41Å
212I89.1Confident86.2Confident115 Ų11567.2 Ų67.259%0.5932%0.324SS*.G310 helixtrans-53.1-26.3167.5-64.5171.1000111I208 L209 Q210 I214I208-I212 PolarHBondContact O-N 3.4Å; L209-I212 HydrophobicContact CD2-CD1 4.29Å; Q210-I212 PolarHBondContact O-N 2.81Å; I212-I214 PolarHBondContact O-N 3.34Å
213Q92.1Very high87Confident36 Ų3670.3 Ų70.317%0.16833%0.33CS..G310 helixtrans-74.80.1176.6-60.3-170.4-11.700114.8P191 S192 Q210 N211 T215 R216P191-Q213 HydrophobicContact CB-CB 4.09Å; S192-Q213 PolarHBondContact O-NE2 2.9Å; Q210-Q213 WeakPolarHBondContact O-CB 3.49Å; Q210-Q213 PolarHBondContact O-N 2.84Å; N211-Q213 PolarHBondContact O-N 2.91Å; Q213-T215 PolarHBondContact O-N 3.26Å; Q213-T215 VanDerWaalsContact O-N 3.12Å; Q213-R216 VanDerWaalsContact O-CB 3.26Å; Q213-R216 WeakPolarHBondContact O-CB 3.15Å; Q213-R216 WeakPolarHBondContact O-CD 3.19Å; Q213-R216 WeakPolarHBondContact O-CG 3.23Å; Q213-R216 PolarHBondContact O-N 2.97Å
214I92.8Very high87.8Confident6 Ų672.1 Ų72.13%0.03134%0.338CS..G310 helixtrans-58.2-24.9178-166.8163.4000113.2N211 I212 R216 L217 Y229 L235 Y243N211-I214 VanDerWaalsContact O-CB 3.24Å; N211-I214 WeakPolarHBondContact O-CB 3.27Å; N211-I214 WeakPolarHBondContact O-CG2 3.09Å; N211-I214 PolarHBondContact O-N 2.93Å; I212-I214 PolarHBondContact O-N 3.34Å; I214-R216 PolarHBondContact O-N 3.27Å; I214-L217 HydrophobicContact CD1-CD1 4.44Å; I214-L217 HydrophobicContact CG1-CD1 3.72Å; I214-L217 HydrophobicContact CG1-CG 4.43Å; I214-L217 WeakPolarHBondContact O-CB 3.41Å; I214-L217 WeakPolarHBondContact O-CD1 3.19Å; I214-L217 WeakPolarHBondContact O-CG 3.46Å; I214-L217 PolarHBondContact O-N 3.32Å; I214-Y229 VanDerWaalsContact CA-CZ 3.48Å; I214-Y229 HydrophobicContact CB-CE1 3.89Å; I214-Y229 HydrophobicContact CB-CE2 4.44Å; I214-Y229 HydrophobicContact CD1-CD1 4.41Å; I214-Y229 HydrophobicContact CD1-CE1 4.04Å; I214-Y229 HydrophobicContact CG1-CD1 3.99Å; I214-Y229 HydrophobicContact CG1-CE1 3.69Å; I214-Y229 PolarHBondContact N-OH 2.97Å; I214-L235 HydrophobicContact CD1-CD1 3.5Å; I214-L235 VanDerWaalsContact CD1-CD1 3.5Å; I214-Y243 HydrophobicContact CD1-CD2 4.26Å; I214-Y243 HydrophobicContact CD1-CE2 3.89Å; I214-Y243 HydrophobicContact CG1-CE2 4.46Å; I214-Y243 HydrophobicContact CG2-CE1 4.44Å; I214-Y243 HydrophobicContact CG2-CE2 4.42Å; I214-Y243 VanDerWaalsContact CG2-OH 3.29Å; I214-Y243 WeakPolarHBondContact CG2-OH 3.21Å
215T90.7Very high88.6Confident88 Ų8864.1 Ų64.154%0.5431%0.308SS..G310 helixtrans-60.2-14.4174.551.90000114.1Q213 L217 C218Q213-T215 PolarHBondContact O-N 3.26Å; Q213-T215 VanDerWaalsContact O-N 3.12Å; T215-L217 PolarHBondContact O-N 3.38Å; T215-L217 VanDerWaalsContact O-N 3.15Å; T215-C218 VanDerWaalsContact O-CB 3.28Å; T215-C218 WeakPolarHBondContact O-CB 3.26Å; T215-C218 PolarHBondContact O-N 3.45Å; T215-C218 PolarHBondContact O-SG 2.85Å
216R92.9Very high89.3Confident109 Ų10959.9 Ų59.941%0.41129%0.291SS..G310 helixtrans-60-16.4169.4-70.7170.9175.8-105-0.5113.6H189 Q213 I214 C218 D219H189-R216 HydrophobicContact CB-CB 4.5Å; H189-R216 PolarHBondContact ND1-NH1 2.85Å; H189-R216 PolarHBondContact NE2-O 3.05Å; Q213-R216 VanDerWaalsContact O-CB 3.26Å; Q213-R216 WeakPolarHBondContact O-CB 3.15Å; Q213-R216 WeakPolarHBondContact O-CD 3.19Å; Q213-R216 WeakPolarHBondContact O-CG 3.23Å; Q213-R216 PolarHBondContact O-N 2.97Å; I214-R216 PolarHBondContact O-N 3.27Å; R216-C218 PolarHBondContact O-N 2.81Å; R216-C218 VanDerWaalsContact O-N 3.15Å; R216-D219 WeakPolarHBondContact O-CB 3.49Å; R216-D219 PolarHBondContact O-N 3.42Å; R216-D219 VanDerWaalsContact O-N 3.13Å
217L92.1Very high89.9Confident1 Ų159.6 Ų59.61%0.00529%0.29CS..G310 helixtrans-53.9-26.4166.7-71.2170.3000112.7I214 T215 D219 I220 V227 Y243 L247 F266 I268I214-L217 HydrophobicContact CD1-CD1 4.44Å; I214-L217 HydrophobicContact CG1-CD1 3.72Å; I214-L217 HydrophobicContact CG1-CG 4.43Å; I214-L217 WeakPolarHBondContact O-CB 3.41Å; I214-L217 WeakPolarHBondContact O-CD1 3.19Å; I214-L217 WeakPolarHBondContact O-CG 3.46Å; I214-L217 PolarHBondContact O-N 3.32Å; T215-L217 PolarHBondContact O-N 3.38Å; T215-L217 VanDerWaalsContact O-N 3.15Å; L217-D219 PolarHBondContact O-N 3.18Å; L217-I220 WeakPolarHBondContact O-CG1 3.41Å; L217-I220 WeakPolarHBondContact O-CG2 3.43Å; L217-I220 PolarHBondContact O-N 2.78Å; L217-V227 HydrophobicContact CD2-CG1 4Å; L217-Y243 HydrophobicContact CD1-CD1 4.4Å; L217-L247 HydrophobicContact CB-CD1 3.86Å; L217-L247 HydrophobicContact CD1-CD1 4.24Å; L217-F266 HydrophobicContact CD2-CB 4.14Å; L217-F266 HydrophobicContact CD2-CD2 3.94Å; L217-F266 HydrophobicContact CD2-CG 4.36Å; L217-I268 HydrophobicContact CD1-CD1 3.75Å; L217-I268 HydrophobicContact CD1-CG1 3.98Å; L217-I268 HydrophobicContact CD2-CG1 4.11Å
218C90.7Very high90.5Very high34 Ų3458.8 Ų58.823%0.2329%0.285CS..G310 helixtrans-63.7-9.2177-66.10000114.5T215 R216 I220 R221T215-C218 VanDerWaalsContact O-CB 3.28Å; T215-C218 WeakPolarHBondContact O-CB 3.26Å; T215-C218 PolarHBondContact O-N 3.45Å; T215-C218 PolarHBondContact O-SG 2.85Å; R216-C218 PolarHBondContact O-N 2.81Å; R216-C218 VanDerWaalsContact O-N 3.15Å; C218-I220 PolarHBondContact O-N 2.87Å; C218-I220 VanDerWaalsContact O-N 3.11Å; C218-R221 WeakPolarHBondContact O-CB 3.27Å; C218-R221 VanDerWaalsContact O-CG 3.26Å; C218-R221 WeakPolarHBondContact O-CG 3.5Å; C218-R221 PolarHBondContact O-N 2.81Å
219D90.8Very high90.9Very high66 Ų6654.9 Ų54.935%0.35327%0.265SS..G310 helixtrans-59.7-18.2172.8-74.9-12.1000112.5I187 H189 R216 L217 R221 D222 V225 V227I187-D219 HydrophobicContact CD1-CB 4.45Å; H189-D219 IonicContact CE1-OD2 2.69Å; H189-D219 PolarHBondContact CE1-OD2 2.97Å; H189-D219 IonicContact NE2-OD2 3.6Å; H189-D219 PolarHBondContact NE2-OD2 2.79Å; R216-D219 WeakPolarHBondContact O-CB 3.49Å; R216-D219 PolarHBondContact O-N 3.42Å; R216-D219 VanDerWaalsContact O-N 3.13Å; L217-D219 PolarHBondContact O-N 3.18Å; D219-R221 PolarHBondContact O-N 3.31Å; D219-R221 VanDerWaalsContact O-N 3.07Å; D219-D222 PolarHBondContact O-N 3.21Å; D219-V225 HydrophobicContact CB-CG1 4.35Å; D219-V227 HydrophobicContact CB-CG2 3.86Å
220I90.1Very high91.2Very high14 Ų1453.8 Ų53.87%0.07226%0.259CS..G310 helixtrans-60.1-12.7170.667170.6000114.1L217 C218 D222 V227 L247 R265 F266L217-I220 WeakPolarHBondContact O-CG1 3.41Å; L217-I220 WeakPolarHBondContact O-CG2 3.43Å; L217-I220 PolarHBondContact O-N 2.78Å; C218-I220 PolarHBondContact O-N 2.87Å; C218-I220 VanDerWaalsContact O-N 3.11Å; I220-D222 CarbonylContact C-O 3.51Å; I220-D222 CarbonylContact O-C 3.48Å; I220-D222 PolarHBondContact O-N 2.83Å; I220-D222 VanDerWaalsContact O-O 3.08Å; I220-V227 HydrophobicContact CG2-CB 4.04Å; I220-V227 HydrophobicContact CG2-CG2 3.57Å; I220-L247 HydrophobicContact CD1-CB 3.61Å; I220-L247 HydrophobicContact CD1-CD1 4.17Å; I220-L247 HydrophobicContact CD1-CD2 3.67Å; I220-L247 HydrophobicContact CD1-CG 3.98Å; I220-L247 HydrophobicContact CG1-CD2 4.23Å; I220-R265 VanDerWaalsContact O-CZ 3.28Å; I220-R265 PolarHBondContact O-NH1 2.93Å; I220-R265 PolarHBondContact O-NH2 3.33Å; I220-F266 HydrophobicContact CG2-CB 4.01Å
221R86.4Confident91.2Very high194 Ų19452.2 Ų52.273%0.73225%0.252SS*.G310 helixtrans-55.6-27.9172.6-75.8175.9-179.3-169.40.3111.9C218 D219C218-R221 WeakPolarHBondContact O-CB 3.27Å; C218-R221 VanDerWaalsContact O-CG 3.26Å; C218-R221 WeakPolarHBondContact O-CG 3.5Å; C218-R221 PolarHBondContact O-N 2.81Å; D219-R221 PolarHBondContact O-N 3.31Å; D219-R221 VanDerWaalsContact O-N 3.07Å
222D87.1Confident91Very high50 Ų5053.1 Ų53.127%0.26726%0.259SS..SBendtrans-77.9119.6166.3-174.8-19.5000109R185 D219 I220 N224 V225 R265R185-D222 IonicContact CZ-OD2 3.93Å; R185-D222 IonicContact NH1-OD2 3.83Å; R185-D222 IonicContact NH2-OD2 2.57Å; R185-D222 PolarHBondContact NH2-OD2 2.57Å; D219-D222 PolarHBondContact O-N 3.21Å; I220-D222 CarbonylContact C-O 3.51Å; I220-D222 CarbonylContact O-C 3.48Å; I220-D222 PolarHBondContact O-N 2.83Å; I220-D222 VanDerWaalsContact O-O 3.08Å; D222-N224 PolarHBondContact O-N 2.91Å; D222-N224 WeakPolarHBondContact OD1-CB 3.22Å; D222-N224 PolarHBondContact OD1-N 3.08Å; D222-V225 HydrophobicContact CB-CB 4.08Å; D222-V225 HydrophobicContact CB-CG2 3.65Å; D222-V225 PolarHBondContact O-N 2.87Å; D222-R265 PolarHBondContact O-NH1 3.33Å
223E86.2Confident90.8Very high148 Ų14849.5 Ų49.569%0.69224%0.24SC*.THydrogen-bonded Turntrans-58.9-27.5-179.9-69.9172-163.600112.9V225E223-V225 VanDerWaalsContact C-N 3.28Å; E223-V225 PolarHBondContact O-N 3.43Å
224N88.9Confident90.4Very high66 Ų6652.8 Ų52.835%0.35326%0.255SS..THydrogen-bonded Turntrans-85.41.4179.6-65.4-61.6000113K184 R185 D222K184-N224 CarbonylContact C-O 3.58Å; K184-N224 VanDerWaalsContact CA-O 3.25Å; K184-N224 WeakPolarHBondContact CA-O 3.4Å; R185-N224 PolarHBondContact N-O 2.96Å; D222-N224 PolarHBondContact O-N 2.91Å; D222-N224 WeakPolarHBondContact OD1-CB 3.22Å; D222-N224 PolarHBondContact OD1-N 3.08Å
225V91.2Very high90.1Very high1 Ų153.8 Ų53.81%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-107131.6-175.9175.40000111.6R185 I187 D219 D222 E223 V227 R265R185-V225 HydrophobicContact CG-CG2 4.09Å; R185-V225 WeakPolarHBondContact O-CA 3.49Å; I187-V225 HydrophobicContact CB-CG1 4.43Å; I187-V225 HydrophobicContact CD1-CG1 3.73Å; I187-V225 HydrophobicContact CD1-CG2 4.23Å; I187-V225 HydrophobicContact CG1-CG1 3.94Å; D219-V225 HydrophobicContact CB-CG1 4.35Å; D222-V225 HydrophobicContact CB-CB 4.08Å; D222-V225 HydrophobicContact CB-CG2 3.65Å; D222-V225 PolarHBondContact O-N 2.87Å; E223-V225 VanDerWaalsContact C-N 3.28Å; E223-V225 PolarHBondContact O-N 3.43Å; V225-V227 HydrophobicContact CG1-CG2 3.77Å; V225-R265 PolarHBondContact O-NH1 3.45Å
226E93.4Very high89.9Confident64 Ų6451.1 Ų51.130%0.29925%0.25SS..EExtended strand (participates in β ladder)trans-106.2141.4160.4-69171.3-172.100109.2K184 R185 T186 I187 R265K184-E226 WeakPolarHBondContact CE-OE1 3.3Å; K184-E226 IonicContact NZ-OE1 2.91Å; K184-E226 PolarHBondContact NZ-OE1 3.32Å; R185-E226 PolarHBondContact O-N 2.61Å; T186-E226 CarbonylContact C-O 3.6Å; T186-E226 VanDerWaalsContact CA-O 3.27Å; T186-E226 WeakPolarHBondContact CA-O 3.47Å; T186-E226 HydrophobicContact CG2-CB 4.31Å; I187-E226 PolarHBondContact N-O 3.07Å; E226-R265 CarbonylContact C-O 3.5Å; E226-R265 WeakPolarHBondContact CA-O 3.48Å; E226-R265 HydrophobicContact CG-CB 4.35Å
227V94.7Very high89.6Confident2 Ų252.7 Ų52.71%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-117.7126.6-175.6-178.10000111.2I187 L217 D219 I220 V225 R265 F266 L267I187-V227 WeakPolarHBondContact O-CA 3.29Å; L217-V227 HydrophobicContact CD2-CG1 4Å; D219-V227 HydrophobicContact CB-CG2 3.86Å; I220-V227 HydrophobicContact CG2-CB 4.04Å; I220-V227 HydrophobicContact CG2-CG2 3.57Å; V225-V227 HydrophobicContact CG1-CG2 3.77Å; V227-R265 PolarHBondContact N-O 2.69Å; V227-F266 HydrophobicContact CB-CB 4.24Å; V227-F266 CarbonylContact O-C 3.58Å; V227-F266 WeakPolarHBondContact O-CA 3.37Å; V227-L267 PolarHBondContact O-N 2.61Å
228I95.6Very high89.6Confident40 Ų4057.9 Ų57.921%0.20529%0.29CS..EExtended strand (participates in β ladder)trans-108.5116.6165.3-58176.7000107.3T186 I187 I188 H189 I230 L267 L269T186-I228 HydrophobicContact CG2-CD1 3.82Å; T186-I228 HydrophobicContact CG2-CG1 3.87Å; I187-I228 PolarHBondContact O-N 2.53Å; I188-I228 CarbonylContact C-O 3.55Å; I188-I228 VanDerWaalsContact CA-O 3.32Å; I188-I228 WeakPolarHBondContact CA-O 3.49Å; I188-I228 HydrophobicContact CG1-CB 4.24Å; I188-I228 HydrophobicContact CG1-CD1 4.36Å; I188-I228 HydrophobicContact CG2-CB 4.43Å; I188-I228 HydrophobicContact CG2-CG2 4.44Å; H189-I228 PolarHBondContact N-O 3.12Å; I228-I230 HydrophobicContact CG2-CD1 3.99Å; I228-L267 CarbonylContact C-O 3.59Å; I228-L267 WeakPolarHBondContact CA-O 3.23Å; I228-L267 HydrophobicContact CG1-CB 4.42Å; I228-L269 HydrophobicContact CG2-CD1 3.8Å; I228-L269 HydrophobicContact CG2-CG 4.21Å
229Y94.9Very high89.5Confident0 Ų059.4 Ų59.40%030%0.295CS..EExtended strand (participates in β ladder)trans-103.5120.1174.6-180-101.8000109.6H189 P191 N211 I214 C231 L267 I268 L269H189-Y229 HydrophobicContact CB-CD2 3.81Å; P191-Y229 HydrophobicContact CB-CE2 4.22Å; P191-Y229 HydrophobicContact CG-CE2 4.06Å; N211-Y229 WeakPolarHBondContact CA-OH 3.44Å; N211-Y229 VanDerWaalsContact OD1-CE1 3.31Å; N211-Y229 WeakPolarHBondContact OD1-CE1 3.16Å; N211-Y229 PolarHBondContact OD1-OH 3.36Å; I214-Y229 VanDerWaalsContact CA-CZ 3.48Å; I214-Y229 HydrophobicContact CB-CE1 3.89Å; I214-Y229 HydrophobicContact CB-CE2 4.44Å; I214-Y229 HydrophobicContact CD1-CD1 4.41Å; I214-Y229 HydrophobicContact CD1-CE1 4.04Å; I214-Y229 HydrophobicContact CG1-CD1 3.99Å; I214-Y229 HydrophobicContact CG1-CE1 3.69Å; I214-Y229 PolarHBondContact N-OH 2.97Å; Y229-C231 HydrophobicContact CD1-CB 4.11Å; Y229-C231 HydrophobicContact CE1-CB 3.93Å; Y229-C231 PolarHBondContact O-N 2.78Å; Y229-L267 PolarHBondContact N-O 3.26Å; Y229-I268 HydrophobicContact CD1-CG2 4.3Å; Y229-I268 WeakPolarHBondContact O-CA 3.17Å; Y229-L269 PolarHBondContact O-N 2.99Å
230I93.4Very high89.4Confident43 Ų4358.9 Ų58.922%0.22129%0.292CS..EExtended strand (participates in β ladder)trans-83.799.2174.2-52.6-55.5000108.2I188 H189 I190 P191 I228 L269 P271I188-I230 HydrophobicContact CG2-CD1 4.4Å; I188-I230 HydrophobicContact CG2-CG1 4.14Å; H189-I230 PolarHBondContact O-N 3.33Å; I190-I230 HydrophobicContact CG1-CG1 4.18Å; P191-I230 WeakPolarHBondContact CD-O 3.4Å; P191-I230 WeakPolarHBondContact CG-O 3.37Å; I228-I230 HydrophobicContact CG2-CD1 3.99Å; I230-L269 CarbonylContact C-O 3.57Å; I230-L269 WeakPolarHBondContact CA-O 3.43Å; I230-L269 HydrophobicContact CD1-CB 4.01Å; I230-L269 HydrophobicContact CD1-CD1 4.24Å; I230-P271 HydrophobicContact CG2-CG 3.79Å
231C91.3Very high89.3Confident0 Ų063.6 Ų63.60%031%0.314CS..  trans-72.1128.9-179.4-159.80000110.4N211 Y229 M233 I268 L269 P271N211-C231 PolarHBondContact OD1-SG 3.31Å; N211-C231 VanDerWaalsContact OD1-SG 3.41Å; Y229-C231 HydrophobicContact CD1-CB 4.11Å; Y229-C231 HydrophobicContact CE1-CB 3.93Å; Y229-C231 PolarHBondContact O-N 2.78Å; C231-M233 PolarHBondContact O-N 2.97Å; C231-M233 PolarHBondContact SG-O 2.99Å; C231-I268 HydrophobicContact CB-CG2 3.8Å; C231-L269 PolarHBondContact N-O 3.36Å; C231-P271 WeakPolarHBondContact O-CD 3.49Å
232P87.2Confident89.4Confident38 Ų3861 Ų6125%0.24731%0.305CS..SBendtrans-76.6-1.3178.333.9-36.2000112.9P191 D207 Q210 N211P191-P232 HydrophobicContact CG-CG 4.3Å; D207-P232 HydrophobicContact CB-CB 4.48Å; D207-P232 WeakPolarHBondContact O-CG 3.33Å; Q210-P232 HydrophobicContact CB-CB 4.31Å; Q210-P232 HydrophobicContact CB-CG 3.95Å; N211-P232 HydrophobicContact CB-CG 3.78Å; N211-P232 WeakPolarHBondContact OD1-CD 3.44Å
233M84.8Confident89.5Confident39 Ų3960.8 Ų60.819%0.19230%0.301CS..SBendtrans-149.4160.6-179.569.8-176.668.200111.9D207 I208 N211 C231 L235 T270D207-M233 HydrophobicContact CB-CE 3.95Å; D207-M233 WeakPolarHBondContact O-CE 3.32Å; I208-M233 HydrophobicContact CB-CE 4.09Å; I208-M233 HydrophobicContact CG1-CE 3.71Å; I208-M233 HydrophobicContact CG1-SD 4.47Å; N211-M233 HydrophobicContact CB-CE 3.55Å; N211-M233 HydrophobicContact CB-SD 4.41Å; C231-M233 PolarHBondContact O-N 2.97Å; C231-M233 PolarHBondContact SG-O 2.99Å; M233-L235 HydrophobicContact CG-CD2 3.99Å; M233-L235 HydrophobicContact SD-CD2 4.22Å; M233-T270 VanDerWaalsContact C-CG2 3.48Å; M233-T270 WeakPolarHBondContact O-CG2 3.48Å; M233-T270 PolarHBondContact O-OG1 2.89Å
234H83.5Confident89.5Confident106 Ų10654.5 Ų54.549%0.49127%0.272SS..PPolyproline II helixtrans-68.6131.8166.3-79.178.9000110.8T270 D275H234-T270 WeakPolarHBondContact ND1-CG2 3.48Å; H234-D275 IonicContact CE1-OD2 3.5Å; H234-D275 PolarHBondContact CE1-OD2 3.37Å; H234-D275 IonicContact CG-OD2 3.62Å; H234-D275 IonicContact ND1-OD2 3.45Å; H234-D275 PolarHBondContact ND1-OD2 2.95Å
235L86.6Confident89.3Confident26 Ų2654.9 Ų54.914%0.13627%0.274CS..PPolyproline II helixtrans-102.9142.3174.8-60.4176.5000109I214 M233 I239 L240 I268I214-L235 HydrophobicContact CD1-CD1 3.5Å; I214-L235 VanDerWaalsContact CD1-CD1 3.5Å; M233-L235 HydrophobicContact CG-CD2 3.99Å; M233-L235 HydrophobicContact SD-CD2 4.22Å; L235-I239 HydrophobicContact CB-CB 4.46Å; L235-I239 HydrophobicContact CB-CG2 4.39Å; L235-I239 HydrophobicContact CD1-CG2 4.4Å; L235-I239 HydrophobicContact CD2-CG2 4.38Å; L235-L240 HydrophobicContact CB-CD2 4.03Å; L235-L240 HydrophobicContact CB-CG 4.05Å; L235-L240 HydrophobicContact CD1-CD2 4.01Å; L235-I268 HydrophobicContact CD1-CG2 4.22Å
236G85.6Confident89Confident32 Ų3258.4 Ų58.433%0.3329%0.29SS..PPolyproline II helixtrans-63.6153.2171.900000111.7D238 I239 L240G236-D238 VanDerWaalsContact C-OD1 3.27Å; G236-D238 WeakPolarHBondContact CA-OD1 3.33Å; G236-D238 PolarHBondContact O-N 3.34Å; G236-I239 PolarHBondContact O-N 3.34Å; G236-L240 PolarHBondContact O-N 3.26Å
237E88.3Confident88.6Confident142 Ų14255.9 Ų55.966%0.66428%0.278SS*.Hα-helixtrans-60-34179.7-167.759.9-149.100111.6I239 L240 Q241E237-I239 PolarHBondContact O-N 2.93Å; E237-L240 PolarHBondContact O-N 3.44Å; E237-Q241 WeakPolarHBondContact O-CB 3.42Å; E237-Q241 PolarHBondContact O-N 2.94Å
238D90.1Very high87.6Confident110 Ų11062.7 Ų62.759%0.58830%0.303SS*.Hα-helixtrans-60-42.5173.364-39.9000112.4G236 Y242G236-D238 VanDerWaalsContact C-OD1 3.27Å; G236-D238 WeakPolarHBondContact CA-OD1 3.33Å; G236-D238 PolarHBondContact O-N 3.34Å; D238-Y242 VanDerWaalsContact O-CB 3.31Å; D238-Y242 WeakPolarHBondContact O-CB 3.49Å; D238-Y242 PolarHBondContact O-N 3.38Å
239I89.3Confident86.2Confident67 Ų6770.5 Ų70.534%0.34433%0.33SS..Hα-helixtrans-71.2-43.6177.6-61.2174.9000110.3L235 G236 E237 Q241 Y242 Y243L235-I239 HydrophobicContact CB-CB 4.46Å; L235-I239 HydrophobicContact CB-CG2 4.39Å; L235-I239 HydrophobicContact CD1-CG2 4.4Å; L235-I239 HydrophobicContact CD2-CG2 4.38Å; G236-I239 PolarHBondContact O-N 3.34Å; E237-I239 PolarHBondContact O-N 2.93Å; I239-Q241 VanDerWaalsContact C-N 3.31Å; I239-Q241 PolarHBondContact O-N 2.74Å; I239-Y242 WeakPolarHBondContact O-CB 3.49Å; I239-Y242 PolarHBondContact O-N 3.49Å; I239-Y243 HydrophobicContact CG2-CD2 3.78Å; I239-Y243 HydrophobicContact CG2-CE2 3.65Å; I239-Y243 VanDerWaalsContact O-CD2 3.25Å; I239-Y243 WeakPolarHBondContact O-CD2 3.37Å; I239-Y243 PolarHBondContact O-N 2.9Å
240L89.4Confident84.4Confident55 Ų5575.4 Ų75.429%0.28836%0.357SS..Hα-helixtrans-59.6-44.8175.6-69.2174.2000110.8L235 G236 E237 Y243 D244 I268L235-L240 HydrophobicContact CB-CD2 4.03Å; L235-L240 HydrophobicContact CB-CG 4.05Å; L235-L240 HydrophobicContact CD1-CD2 4.01Å; G236-L240 PolarHBondContact O-N 3.26Å; E237-L240 PolarHBondContact O-N 3.44Å; L240-Y243 PolarHBondContact O-N 2.9Å; L240-D244 WeakPolarHBondContact O-CB 3.36Å; L240-D244 PolarHBondContact O-N 2.84Å; L240-I268 HydrophobicContact CD2-CB 4.38Å; L240-I268 HydrophobicContact CD2-CD1 3.86Å; L240-I268 HydrophobicContact CD2-CG2 4.33Å
241Q87.2Confident82.5Confident113 Ų11375.8 Ų75.853%0.52837%0.371SS..Hα-helixtrans-67.1-37.5176.9-168176.130.600112.1E237 I239 D244 N245E237-Q241 WeakPolarHBondContact O-CB 3.42Å; E237-Q241 PolarHBondContact O-N 2.94Å; I239-Q241 VanDerWaalsContact C-N 3.31Å; I239-Q241 PolarHBondContact O-N 2.74Å; Q241-D244 PolarHBondContact O-N 2.92Å; Q241-N245 WeakPolarHBondContact O-CB 3.32Å; Q241-N245 VanDerWaalsContact O-CG 3.26Å; Q241-N245 PolarHBondContact O-N 3.34Å; Q241-N245 PolarHBondContact O-ND2 2.89Å
242Y89.3Confident80.2Confident138 Ų13879.5 Ų79.554%0.54140%0.402SS..Hα-helixtrans-57.6-50.5172.4169.2-93.7000111.2D238 I239 N245 F246D238-Y242 VanDerWaalsContact O-CB 3.31Å; D238-Y242 WeakPolarHBondContact O-CB 3.49Å; D238-Y242 PolarHBondContact O-N 3.38Å; I239-Y242 WeakPolarHBondContact O-CB 3.49Å; I239-Y242 PolarHBondContact O-N 3.49Å; Y242-N245 PolarHBondContact O-N 2.93Å; Y242-F246 VanDerWaalsContact O-CB 3.24Å; Y242-F246 WeakPolarHBondContact O-CB 3.38Å; Y242-F246 PolarHBondContact O-N 3.15Å
243Y88.3Confident78Confident46 Ų4684.3 Ų84.318%0.1843%0.426CS..Hα-helixtrans-67-37.2178.6-78.7-70.2000112.1I214 L217 I239 L240 F246 L247I214-Y243 HydrophobicContact CD1-CD2 4.26Å; I214-Y243 HydrophobicContact CD1-CE2 3.89Å; I214-Y243 HydrophobicContact CG1-CE2 4.46Å; I214-Y243 HydrophobicContact CG2-CE1 4.44Å; I214-Y243 HydrophobicContact CG2-CE2 4.42Å; I214-Y243 VanDerWaalsContact CG2-OH 3.29Å; I214-Y243 WeakPolarHBondContact CG2-OH 3.21Å; L217-Y243 HydrophobicContact CD1-CD1 4.4Å; I239-Y243 HydrophobicContact CG2-CD2 3.78Å; I239-Y243 HydrophobicContact CG2-CE2 3.65Å; I239-Y243 VanDerWaalsContact O-CD2 3.25Å; I239-Y243 WeakPolarHBondContact O-CD2 3.37Å; I239-Y243 PolarHBondContact O-N 2.9Å; L240-Y243 PolarHBondContact O-N 2.9Å; Y243-F246 PolarHBondContact O-N 3.42Å; Y243-L247 WeakPolarHBondContact O-CB 3.47Å; Y243-L247 WeakPolarHBondContact O-CG 3.19Å; Y243-L247 PolarHBondContact O-N 3.38Å
244D86.7Confident75.9Confident17 Ų1788.4 Ų88.49%0.09146%0.458CS..Hα-helixtrans-60.3-47.4174-160.427000111.4L240 Q241 R248 K264 F266L240-D244 WeakPolarHBondContact O-CB 3.36Å; L240-D244 PolarHBondContact O-N 2.84Å; Q241-D244 PolarHBondContact O-N 2.92Å; D244-R248 VanDerWaalsContact O-CB 3.25Å; D244-R248 WeakPolarHBondContact O-CB 3.34Å; D244-R248 WeakPolarHBondContact O-CD 3.27Å; D244-R248 WeakPolarHBondContact O-CG 3.37Å; D244-R248 PolarHBondContact O-N 3.37Å; D244-R248 IonicContact OD1-CZ 2.86Å; D244-R248 IonicContact OD1-NE 2.67Å; D244-R248 PolarHBondContact OD1-NE 3.48Å; D244-R248 IonicContact OD1-NH2 3.52Å; D244-R248 PolarHBondContact OD1-NH2 3.04Å; D244-R248 IonicContact OD2-CZ 3.54Å; D244-R248 IonicContact OD2-NE 3.55Å; D244-R248 PolarHBondContact OD2-NE 3.39Å; D244-R248 IonicContact OD2-NH2 2.71Å; D244-R248 PolarHBondContact OD2-NH2 2.92Å; D244-K264 VanDerWaalsContact CG-NZ 3.34Å; D244-K264 VanDerWaalsContact OD1-CE 3.23Å; D244-K264 WeakPolarHBondContact OD1-CE 3.38Å; D244-K264 IonicContact OD1-NZ 3.69Å; D244-K264 PolarHBondContact OD1-NZ 3.44Å; D244-K264 WeakPolarHBondContact OD2-CE 3.32Å; D244-K264 IonicContact OD2-NZ 2.75Å; D244-K264 PolarHBondContact OD2-NZ 2.95Å; D244-F266 HydrophobicContact CB-CZ 4.27Å
245N85.2Confident73.9Confident73 Ų7388 Ų8839%0.3947%0.467SS..Hα-helixtrans-66.1-43.6177.4-72.4-25000112.7Q241 Y242 R249Q241-N245 WeakPolarHBondContact O-CB 3.32Å; Q241-N245 VanDerWaalsContact O-CG 3.26Å; Q241-N245 PolarHBondContact O-N 3.34Å; Q241-N245 PolarHBondContact O-ND2 2.89Å; Y242-N245 PolarHBondContact O-N 2.93Å; N245-R249 WeakPolarHBondContact O-CB 3.31Å; N245-R249 WeakPolarHBondContact O-CG 3.23Å; N245-R249 PolarHBondContact O-N 3.35Å
246F84.8Confident72Confident76 Ų7693.2 Ų93.233%0.33350%0.5SS..Hα-helixtrans-62.8-43.5-180176-101.9000112Y242 Y243 N250Y242-F246 VanDerWaalsContact O-CB 3.24Å; Y242-F246 WeakPolarHBondContact O-CB 3.38Å; Y242-F246 PolarHBondContact O-N 3.15Å; Y243-F246 PolarHBondContact O-N 3.42Å; F246-N250 PolarHBondContact O-ND2 2.95Å
247L84Confident69.8Low11 Ų1199.2 Ų99.26%0.05852%0.524CS..Hα-helixtrans-77.5-32.4-178.2-67.6173.9000112.2L217 I220 Y243 G251 F266L217-L247 HydrophobicContact CB-CD1 3.86Å; L217-L247 HydrophobicContact CD1-CD1 4.24Å; I220-L247 HydrophobicContact CD1-CB 3.61Å; I220-L247 HydrophobicContact CD1-CD1 4.17Å; I220-L247 HydrophobicContact CD1-CD2 3.67Å; I220-L247 HydrophobicContact CD1-CG 3.98Å; I220-L247 HydrophobicContact CG1-CD2 4.23Å; Y243-L247 WeakPolarHBondContact O-CB 3.47Å; Y243-L247 WeakPolarHBondContact O-CG 3.19Å; Y243-L247 PolarHBondContact O-N 3.38Å; L247-G251 PolarHBondContact O-N 2.81Å; L247-F266 HydrophobicContact CB-CE1 4.13Å; L247-F266 HydrophobicContact CD1-CD1 3.95Å; L247-F266 HydrophobicContact CD1-CD2 4.21Å; L247-F266 HydrophobicContact CD1-CE1 3.89Å; L247-F266 HydrophobicContact CD1-CE2 4.15Å; L247-F266 HydrophobicContact CD1-CG 4.12Å; L247-F266 HydrophobicContact CD1-CZ 4Å
248R75Confident67.7Low144 Ų144101 Ų10154%0.54353%0.533SS..Hα-helixtrans-67.2-43.3172.6-75.5172.4-171.8-153.56.3112.8D244 N250 G251D244-R248 VanDerWaalsContact O-CB 3.25Å; D244-R248 WeakPolarHBondContact O-CB 3.34Å; D244-R248 WeakPolarHBondContact O-CD 3.27Å; D244-R248 WeakPolarHBondContact O-CG 3.37Å; D244-R248 PolarHBondContact O-N 3.37Å; D244-R248 IonicContact OD1-CZ 2.86Å; D244-R248 IonicContact OD1-NE 2.67Å; D244-R248 PolarHBondContact OD1-NE 3.48Å; D244-R248 IonicContact OD1-NH2 3.52Å; D244-R248 PolarHBondContact OD1-NH2 3.04Å; D244-R248 IonicContact OD2-CZ 3.54Å; D244-R248 IonicContact OD2-NE 3.55Å; D244-R248 PolarHBondContact OD2-NE 3.39Å; D244-R248 IonicContact OD2-NH2 2.71Å; D244-R248 PolarHBondContact OD2-NH2 2.92Å; R248-N250 VanDerWaalsContact C-N 3.25Å; R248-N250 PolarHBondContact O-N 2.83Å; R248-G251 PolarHBondContact O-N 3.22Å; R248-G251 VanDerWaalsContact O-N 3.12Å
249R66.3Low65.4Low204 Ų204102.9 Ų102.977%0.7754%0.543SS*.Hα-helixtrans-63.8-29.9-179.2-79178.6174.6178.3-0.7113.4N245N245-R249 WeakPolarHBondContact O-CB 3.31Å; N245-R249 WeakPolarHBondContact O-CG 3.23Å; N245-R249 PolarHBondContact O-N 3.35Å
250N55.8Low63.1Low104 Ų104107.3 Ų107.356%0.55657%0.566SS**THydrogen-bonded Turntrans-91.2-0.1177.6-71.3-32.3000113.7F246 R248F246-N250 PolarHBondContact O-ND2 2.95Å; R248-N250 VanDerWaalsContact C-N 3.25Å; R248-N250 PolarHBondContact O-N 2.83Å
251G53.1Low61Low51 Ų51111.3 Ų111.353%0.52660%0.596SS.*THydrogen-bonded Turntrans-104.416.8173.500000113.4L247 R248 D253L247-G251 PolarHBondContact O-N 2.81Å; R248-G251 PolarHBondContact O-N 3.22Å; R248-G251 VanDerWaalsContact O-N 3.12Å; G251-D253 PolarHBondContact O-N 3.34Å
252A43.3Very low59.1Low78 Ų78110.6 Ų110.665%0.64560%0.602SS**  trans-75.892.7-175.500000111.6
253D42Very low57.5Low139 Ų139111.4 Ų111.474%0.74362%0.616SS**  trans-67.6123.1133.5-89.4-24.7000107.9G251 S255G251-D253 PolarHBondContact O-N 3.34Å; D253-S255 VanDerWaalsContact C-N 3.25Å; D253-S255 PolarHBondContact O-N 2.87Å
254S40.6Very low56.5Low125 Ų125115.3 Ų115.387%0.87463%0.634SS**  trans-65.678.8172.853.60000110.8
255S42.1Very low56.5Low97 Ų97118.2 Ų118.268%0.67864%0.644SS**  trans-136113158.858.50000110.3D253 N257D253-S255 VanDerWaalsContact C-N 3.25Å; D253-S255 PolarHBondContact O-N 2.87Å; S255-N257 PolarHBondContact O-N 2.95Å; S255-N257 VanDerWaalsContact O-N 3.15Å
256T45.2Very low56.8Low135 Ų135115.9 Ų115.983%0.82863%0.63SS**  trans-42.1109.9162.937.30000111
257N39.2Very low57.1Low158 Ų158116.3 Ų116.385%0.84564%0.635SS**  trans-160.699142.7-86.1-31.5000107.4S255S255-N257 PolarHBondContact O-N 2.95Å; S255-N257 VanDerWaalsContact O-N 3.15Å
258Q45.6Very low57.5Low180 Ų180117.1 Ų117.184%0.84164%0.639SS**  trans-63.4145.1158.5-74.7169.7-15.800107.4
259D41.7Very low58.2Low149 Ų149114 Ų11480%0.79763%0.633SS**  trans91.371.8170.9-48.6-27.7000118
260L40.8Very low59.1Low160 Ų160105.8 Ų105.884%0.83861%0.606SS**  trans-157.6125.4143-98.1130.1000111C262L260-C262 PolarHBondContact O-N 3.47Å; L260-C262 VanDerWaalsContact O-N 3.11Å
261P45.5Very low60.1Low139 Ų139103.5 Ų103.590%0.90360%0.597SS**  trans-83.528.2-173.633.4-34.8000114.6
262C46Very low60.5Low98 Ų98107.8 Ų107.866%0.66260%0.603SS**  trans-14586.1-168.7-143.60000112.8L260L260-C262 PolarHBondContact O-N 3.47Å; L260-C262 VanDerWaalsContact O-N 3.11Å
263N55.7Low61.1Low156 Ų156108 Ų10883%0.83461%0.605SS**  trans-177.856.4145.7-94.1-22000110.7R265N263-R265 PolarHBondContact O-N 3.37Å; N263-R265 VanDerWaalsContact O-N 3.08Å
264K68.9Low61.6Low128 Ų128105.4 Ų105.456%0.55759%0.594SS**  trans-67.4108.7166.5-72.8-172.6175.3-1710107.8D244 F266D244-K264 VanDerWaalsContact CG-NZ 3.34Å; D244-K264 VanDerWaalsContact OD1-CE 3.23Å; D244-K264 WeakPolarHBondContact OD1-CE 3.38Å; D244-K264 IonicContact OD1-NZ 3.69Å; D244-K264 PolarHBondContact OD1-NZ 3.44Å; D244-K264 WeakPolarHBondContact OD2-CE 3.32Å; D244-K264 IonicContact OD2-NZ 2.75Å; D244-K264 PolarHBondContact OD2-NZ 2.95Å; K264-F266 PolarHBondContact O-N 2.79Å; K264-F266 VanDerWaalsContact O-N 3.15Å
265R85.8Confident62Low78 Ų78103.5 Ų103.529%0.29457%0.573SS.*SBendtrans-72.35.7173-66-165-63.7118.6-6.3113.2I220 D222 V225 E226 V227 N263I220-R265 VanDerWaalsContact O-CZ 3.28Å; I220-R265 PolarHBondContact O-NH1 2.93Å; I220-R265 PolarHBondContact O-NH2 3.33Å; D222-R265 PolarHBondContact O-NH1 3.33Å; V225-R265 PolarHBondContact O-NH1 3.45Å; E226-R265 CarbonylContact C-O 3.5Å; E226-R265 WeakPolarHBondContact CA-O 3.48Å; E226-R265 HydrophobicContact CG-CB 4.35Å; V227-R265 PolarHBondContact N-O 2.69Å; N263-R265 PolarHBondContact O-N 3.37Å; N263-R265 VanDerWaalsContact O-N 3.08Å
266F91.1Very high62.5Low23 Ų23105.6 Ų105.610%0.10157%0.572CS.*EExtended strand (participates in β ladder)trans-135.6151.9172.375.2-83.6000111.6L217 I220 V227 D244 L247 K264 I268L217-F266 HydrophobicContact CD2-CB 4.14Å; L217-F266 HydrophobicContact CD2-CD2 3.94Å; L217-F266 HydrophobicContact CD2-CG 4.36Å; I220-F266 HydrophobicContact CG2-CB 4.01Å; V227-F266 HydrophobicContact CB-CB 4.24Å; V227-F266 CarbonylContact O-C 3.58Å; V227-F266 WeakPolarHBondContact O-CA 3.37Å; D244-F266 HydrophobicContact CB-CZ 4.27Å; L247-F266 HydrophobicContact CB-CE1 4.13Å; L247-F266 HydrophobicContact CD1-CD1 3.95Å; L247-F266 HydrophobicContact CD1-CD2 4.21Å; L247-F266 HydrophobicContact CD1-CE1 3.89Å; L247-F266 HydrophobicContact CD1-CE2 4.15Å; L247-F266 HydrophobicContact CD1-CG 4.12Å; L247-F266 HydrophobicContact CD1-CZ 4Å; K264-F266 PolarHBondContact O-N 2.79Å; K264-F266 VanDerWaalsContact O-N 3.15Å; F266-I268 HydrophobicContact CD2-CG1 4.3Å; F266-I268 HydrophobicContact CE2-CD1 4.24Å; F266-I268 HydrophobicContact CE2-CG1 4.4Å
267L91.6Very high63.1Low86 Ų86104.7 Ų104.745%0.4556%0.557SS.*EExtended strand (participates in β ladder)trans-136.7127176.3-178.364.2000108.9V227 I228 Y229 L269V227-L267 PolarHBondContact O-N 2.61Å; I228-L267 CarbonylContact C-O 3.59Å; I228-L267 WeakPolarHBondContact CA-O 3.23Å; I228-L267 HydrophobicContact CG1-CB 4.42Å; Y229-L267 PolarHBondContact N-O 3.26Å; L267-L269 HydrophobicContact CD1-CD2 4.21Å; L267-L269 HydrophobicContact CD2-CD1 4.01Å; L267-L269 HydrophobicContact CD2-CD2 3.7Å; L267-L269 HydrophobicContact CD2-CG 3.78Å; L267-L269 HydrophobicContact CG-CD2 3.83Å; L267-L269 HydrophobicContact CG-CG 3.86Å
268I91.6Very high64.6Low28 Ų28100.2 Ų100.214%0.14454%0.537CS..EExtended strand (participates in β ladder)trans-99116.1170.4-62.5167.6000106.4L217 Y229 C231 L235 L240 F266L217-I268 HydrophobicContact CD1-CD1 3.75Å; L217-I268 HydrophobicContact CD1-CG1 3.98Å; L217-I268 HydrophobicContact CD2-CG1 4.11Å; Y229-I268 HydrophobicContact CD1-CG2 4.3Å; Y229-I268 WeakPolarHBondContact O-CA 3.17Å; C231-I268 HydrophobicContact CB-CG2 3.8Å; L235-I268 HydrophobicContact CD1-CG2 4.22Å; L240-I268 HydrophobicContact CD2-CB 4.38Å; L240-I268 HydrophobicContact CD2-CD1 3.86Å; L240-I268 HydrophobicContact CD2-CG2 4.33Å; F266-I268 HydrophobicContact CD2-CG1 4.3Å; F266-I268 HydrophobicContact CE2-CD1 4.24Å; F266-I268 HydrophobicContact CE2-CG1 4.4Å
269L90Very high66.4Low77 Ų7792 Ų9240%0.40350%0.498SS..EExtended strand (participates in β ladder)trans-108.9123.5176.8-69.5179.6000109.2I228 Y229 I230 C231 L267I228-L269 HydrophobicContact CG2-CD1 3.8Å; I228-L269 HydrophobicContact CG2-CG 4.21Å; Y229-L269 PolarHBondContact O-N 2.99Å; I230-L269 CarbonylContact C-O 3.57Å; I230-L269 WeakPolarHBondContact CA-O 3.43Å; I230-L269 HydrophobicContact CD1-CB 4.01Å; I230-L269 HydrophobicContact CD1-CD1 4.24Å; C231-L269 PolarHBondContact N-O 3.36Å; L267-L269 HydrophobicContact CD1-CD2 4.21Å; L267-L269 HydrophobicContact CD2-CD1 4.01Å; L267-L269 HydrophobicContact CD2-CD2 3.7Å; L267-L269 HydrophobicContact CD2-CG 3.78Å; L267-L269 HydrophobicContact CG-CD2 3.83Å; L267-L269 HydrophobicContact CG-CG 3.86Å
270T86Confident68.6Low33 Ų3388 Ų8820%0.20247%0.473CS..  trans-99.5125169.4-52.40000107.9M233 H234 E272M233-T270 VanDerWaalsContact C-CG2 3.48Å; M233-T270 WeakPolarHBondContact O-CG2 3.48Å; M233-T270 PolarHBondContact O-OG1 2.89Å; H234-T270 WeakPolarHBondContact ND1-CG2 3.48Å; T270-E272 PolarHBondContact O-N 3.25Å
271P77.3Confident70.8Confident56 Ų5684.8 Ų84.836%0.36445%0.453SS..  trans-61.9102.5176.1-22.833.9000111.2I230 C231 A273 V274I230-P271 HydrophobicContact CG2-CG 3.79Å; C231-P271 WeakPolarHBondContact O-CD 3.49Å; P271-A273 PolarHBondContact O-N 3.48Å; P271-V274 HydrophobicContact CB-CG2 4.07Å; P271-V274 WeakPolarHBondContact O-CG2 3.43Å; P271-V274 PolarHBondContact O-N 2.99Å
272E60Low72.9Confident141 Ų14181.2 Ų81.266%0.65943%0.429SS*.G310 helixtrans-60.6-30.5-174.7-66.2163-169.700113.1T270 V274 D275 H276T270-E272 PolarHBondContact O-N 3.25Å; E272-V274 PolarHBondContact O-N 3.42Å; E272-V274 VanDerWaalsContact O-N 3.16Å; E272-D275 PolarHBondContact O-N 3.49Å; E272-H276 WeakPolarHBondContact O-CB 3.33Å; E272-H276 PolarHBondContact O-N 2.87Å; E272-H276 PolarHBondContact O-ND1 3.5Å
273A56.2Low75Confident82 Ų8276.7 Ų76.768%0.67840%0.398SS*.G310 helixtrans-69.2-7.7179.900000114.4P271P271-A273 PolarHBondContact O-N 3.48Å
274V52.1Low76.8Confident85 Ų8569.2 Ų69.252%0.51536%0.359SS..G310 helixtrans-73.8-33.1174.3177.20000111P271 E272P271-V274 HydrophobicContact CB-CG2 4.07Å; P271-V274 WeakPolarHBondContact O-CG2 3.43Å; P271-V274 PolarHBondContact O-N 2.99Å; E272-V274 PolarHBondContact O-N 3.42Å; E272-V274 VanDerWaalsContact O-N 3.16Å
275D50.8Low77.9Confident84 Ų8467.6 Ų67.645%0.44935%0.353SS..THydrogen-bonded Turntrans-101-23.1178.6-62.2-47.9000112H234 E272 F277H234-D275 IonicContact CE1-OD2 3.5Å; H234-D275 PolarHBondContact CE1-OD2 3.37Å; H234-D275 IonicContact CG-OD2 3.62Å; H234-D275 IonicContact ND1-OD2 3.45Å; H234-D275 PolarHBondContact ND1-OD2 2.95Å; E272-D275 PolarHBondContact O-N 3.49Å; D275-F277 PolarHBondContact O-N 3.34Å
276H52.1Low78.2Confident142 Ų14266.2 Ų66.266%0.65735%0.351SS*.  trans-98.854.1178.6-67.878.9000113E272E272-H276 WeakPolarHBondContact O-CB 3.33Å; E272-H276 PolarHBondContact O-N 2.87Å; E272-H276 PolarHBondContact O-ND1 3.5Å
277F57.1Low78.3Confident115 Ų11565.1 Ų65.150%0.50435%0.346SS..  trans-72.4126.5147.2-168-101.2000105.2D275 L279 L379D275-F277 PolarHBondContact O-N 3.34Å; F277-L279 HydrophobicContact CD1-CB 3.91Å; F277-L279 HydrophobicContact CD1-CD1 4.28Å; F277-L279 HydrophobicContact CE1-CD1 4.26Å; F277-L279 PolarHBondContact O-N 3.42Å; F277-L379 HydrophobicContact CB-CD1 4.47Å; F277-L379 HydrophobicContact CB-CD2 3.42Å; F277-L379 VanDerWaalsContact CB-CD2 3.42Å; F277-L379 HydrophobicContact CB-CG 4.45Å; F277-L379 HydrophobicContact CD1-CD2 3.92Å; F277-L379 HydrophobicContact CG-CD2 3.88Å
278P70.9Confident78.4Confident65 Ų6561 Ų6142%0.42233%0.325SS..  trans-73.555.4-179.632.9-35.8000109.9Y280 E281 T282P278-Y280 VanDerWaalsContact C-N 3.28Å; P278-Y280 PolarHBondContact O-N 2.87Å; P278-E281 WeakPolarHBondContact CA-OE2 3.44Å; P278-E281 HydrophobicContact CB-CB 4.29Å; P278-E281 WeakPolarHBondContact CB-OE2 3.4Å; P278-T282 VanDerWaalsContact O-CB 3.27Å; P278-T282 WeakPolarHBondContact O-CB 3.45Å; P278-T282 PolarHBondContact O-N 3.3Å; P278-T282 PolarHBondContact O-OG1 2.88Å
279L83.2Confident78.3Confident6 Ų663.7 Ų63.73%0.03134%0.337CS..Hα-helixtrans-60.9-45.3-174.8-179.463.7000109F277 L283 W371 L375 F378 V385F277-L279 HydrophobicContact CD1-CB 3.91Å; F277-L279 HydrophobicContact CD1-CD1 4.28Å; F277-L279 HydrophobicContact CE1-CD1 4.26Å; F277-L279 PolarHBondContact O-N 3.42Å; L279-L283 WeakPolarHBondContact O-CB 3.25Å; L279-L283 PolarHBondContact O-N 2.92Å; L279-W371 HydrophobicContact CD2-CZ2 4.26Å; L279-L375 HydrophobicContact CD2-CD1 3.26Å; L279-F378 HydrophobicContact CD1-CE1 4.29Å; L279-V385 HydrophobicContact CD1-CG2 4.36Å
280Y87.8Confident78.4Confident65 Ų6563.3 Ų63.326%0.25534%0.335SS..Hα-helixtrans-70.1-41.6-174.2-55.9-41.5000111.2P278 L283 A284 I352 P353 L356 L375P278-Y280 VanDerWaalsContact C-N 3.28Å; P278-Y280 PolarHBondContact O-N 2.87Å; Y280-L283 PolarHBondContact O-N 3.16Å; Y280-A284 VanDerWaalsContact O-CB 3.23Å; Y280-A284 WeakPolarHBondContact O-CB 3.35Å; Y280-A284 PolarHBondContact O-N 2.91Å; Y280-I352 HydrophobicContact CD1-CG2 3.5Å; Y280-I352 HydrophobicContact CE1-CG2 4.32Å; Y280-I352 HydrophobicContact CG-CG2 4.06Å; Y280-P353 HydrophobicContact CD2-CG 4.06Å; Y280-P353 HydrophobicContact CE2-CB 4.32Å; Y280-P353 HydrophobicContact CE2-CG 4.19Å; Y280-P353 HydrophobicContact CG-CG 4.27Å; Y280-L356 HydrophobicContact CD1-CD1 4.05Å; Y280-L356 HydrophobicContact CE1-CD1 3.81Å; Y280-L375 WeakPolarHBondContact OH-CD2 3.41Å
281E87.3Confident78.6Confident93 Ų9361.9 Ų61.944%0.43533%0.326SS..Hα-helixtrans-63.6-49.8175.1-60.881.9173.200110.9P278 L283 A284 E285 L349P278-E281 WeakPolarHBondContact CA-OE2 3.44Å; P278-E281 HydrophobicContact CB-CB 4.29Å; P278-E281 WeakPolarHBondContact CB-OE2 3.4Å; E281-L283 VanDerWaalsContact C-N 3.29Å; E281-L283 PolarHBondContact O-N 3.43Å; E281-A284 PolarHBondContact O-N 3.34Å; E281-E285 WeakPolarHBondContact O-CB 3.31Å; E281-E285 PolarHBondContact O-N 3.35Å; E281-L349 HydrophobicContact CB-CD1 4.33Å; E281-L349 HydrophobicContact CG-CD1 3.87Å
282T88.8Confident79.1Confident64 Ų6464.4 Ų64.439%0.39333%0.333SS..Hα-helixtrans-63.4-38.5179.4-49.30000111P278 L286P278-T282 VanDerWaalsContact O-CB 3.27Å; P278-T282 WeakPolarHBondContact O-CB 3.45Å; P278-T282 PolarHBondContact O-N 3.3Å; P278-T282 PolarHBondContact O-OG1 2.88Å; T282-L286 WeakPolarHBondContact O-CB 3.32Å; T282-L286 PolarHBondContact O-N 3.34Å
283L91.6Very high80.6Confident3 Ų358.9 Ų58.92%0.01631%0.308CS..Hα-helixtrans-70.7-39.9177.6-178.162.6000111.7L279 Y280 E281 E285 L286 I287 F298 I352 W355 L356 V385L279-L283 WeakPolarHBondContact O-CB 3.25Å; L279-L283 PolarHBondContact O-N 2.92Å; Y280-L283 PolarHBondContact O-N 3.16Å; E281-L283 VanDerWaalsContact C-N 3.29Å; E281-L283 PolarHBondContact O-N 3.43Å; L283-E285 VanDerWaalsContact C-N 3.35Å; L283-L286 HydrophobicContact CD1-CD2 4.13Å; L283-L286 PolarHBondContact O-N 3.37Å; L283-I287 HydrophobicContact CD1-CD1 4Å; L283-I287 HydrophobicContact CD1-CG1 4.16Å; L283-I287 HydrophobicContact CG-CD1 3.81Å; L283-I287 HydrophobicContact CG-CG1 4.37Å; L283-I287 WeakPolarHBondContact O-CB 3.39Å; L283-I287 WeakPolarHBondContact O-CG1 3.27Å; L283-I287 PolarHBondContact O-N 2.86Å; L283-F298 HydrophobicContact CD1-CE1 4.5Å; L283-F298 HydrophobicContact CD1-CZ 4.24Å; L283-F298 HydrophobicContact CD2-CE1 4.18Å; L283-F298 HydrophobicContact CD2-CZ 3.87Å; L283-I352 HydrophobicContact CD2-CG2 4.03Å; L283-I352 HydrophobicContact CG-CD1 4.3Å; L283-W355 HydrophobicContact CD2-CZ3 4.01Å; L283-L356 HydrophobicContact CD2-CD1 3.78Å; L283-L356 HydrophobicContact CD2-CD2 4.35Å; L283-L356 HydrophobicContact CD2-CG 4.49Å; L283-V385 HydrophobicContact CD1-CG1 4Å
284A92.4Very high82.2Confident0 Ų061.3 Ų61.30%031%0.305CS..Hα-helixtrans-60.4-46.7175.400000111Y280 E281 I287 A288 M345 L349 I352Y280-A284 VanDerWaalsContact O-CB 3.23Å; Y280-A284 WeakPolarHBondContact O-CB 3.35Å; Y280-A284 PolarHBondContact O-N 2.91Å; E281-A284 PolarHBondContact O-N 3.34Å; A284-I287 PolarHBondContact O-N 3.27Å; A284-A288 VanDerWaalsContact O-CB 3.29Å; A284-A288 WeakPolarHBondContact O-CB 3.42Å; A284-A288 PolarHBondContact O-N 3.05Å; A284-M345 HydrophobicContact CB-CG 3.75Å; A284-L349 HydrophobicContact CB-CB 4.41Å; A284-L349 HydrophobicContact CB-CD1 4.33Å; A284-I352 VanDerWaalsContact CA-CD1 3.45Å; A284-I352 HydrophobicContact CB-CD1 3.59Å
285E91.8Very high84.2Confident93 Ų9359.9 Ų59.944%0.43529%0.29SS..Hα-helixtrans-60-48.1175.4-177-179.9-177.900111E281 L283 I287 A288 Q289 M345E281-E285 WeakPolarHBondContact O-CB 3.31Å; E281-E285 PolarHBondContact O-N 3.35Å; L283-E285 VanDerWaalsContact C-N 3.35Å; E285-I287 PolarHBondContact O-N 2.98Å; E285-A288 PolarHBondContact O-N 3.13Å; E285-Q289 HydrophobicContact CG-CG 4.44Å; E285-Q289 WeakPolarHBondContact O-CB 3.17Å; E285-Q289 VanDerWaalsContact O-CG 3.28Å; E285-Q289 WeakPolarHBondContact O-CG 3.27Å; E285-Q289 PolarHBondContact O-N 2.9Å; E285-Q289 PolarHBondContact OE1-NE2 3.26Å; E285-M345 HydrophobicContact CB-SD 4Å
286L93Very high86.2Confident49 Ų4956.1 Ų56.126%0.25727%0.27SS..Hα-helixtrans-62.7-40.8-179.2-173113.1000112.4T282 L283 N290 W296 V385T282-L286 WeakPolarHBondContact O-CB 3.32Å; T282-L286 PolarHBondContact O-N 3.34Å; L283-L286 HydrophobicContact CD1-CD2 4.13Å; L283-L286 PolarHBondContact O-N 3.37Å; L286-N290 WeakPolarHBondContact O-CB 3.28Å; L286-N290 PolarHBondContact O-N 3.45Å; L286-N290 PolarHBondContact O-ND2 3.01Å; L286-W296 HydrophobicContact CD2-CD2 4.09Å; L286-W296 HydrophobicContact CD2-CE3 3.42Å; L286-W296 VanDerWaalsContact CD2-CE3 3.42Å; L286-W296 HydrophobicContact CD2-CH2 3.33Å; L286-W296 HydrophobicContact CD2-CZ2 4.01Å; L286-W296 HydrophobicContact CD2-CZ3 3.03Å; L286-W296 HydrophobicContact CG-CH2 3.64Å; L286-W296 HydrophobicContact CG-CZ2 4.42Å; L286-W296 HydrophobicContact CG-CZ3 3.77Å; L286-V385 HydrophobicContact CD2-CG1 3.93Å
287I93.7Very high88.1Confident1 Ų149.8 Ų49.81%0.00524%0.241CC..Hα-helixtrans-65.9-46.6174-67.9169.2000110.5L283 A284 E285 Q289 N290 I291 W296 V314 L317 Y348 I352 W355L283-I287 HydrophobicContact CD1-CD1 4Å; L283-I287 HydrophobicContact CD1-CG1 4.16Å; L283-I287 HydrophobicContact CG-CD1 3.81Å; L283-I287 HydrophobicContact CG-CG1 4.37Å; L283-I287 WeakPolarHBondContact O-CB 3.39Å; L283-I287 WeakPolarHBondContact O-CG1 3.27Å; L283-I287 PolarHBondContact O-N 2.86Å; A284-I287 PolarHBondContact O-N 3.27Å; E285-I287 PolarHBondContact O-N 2.98Å; I287-Q289 PolarHBondContact O-N 3.42Å; I287-N290 CarbonylContact O-C 3.49Å; I287-N290 VanDerWaalsContact O-C 3.27Å; I287-N290 PolarHBondContact O-N 3.49Å; I287-I291 PolarHBondContact O-N 3.45Å; I287-W296 HydrophobicContact CG1-CZ2 4.21Å; I287-V314 HydrophobicContact CG2-CG1 4.5Å; I287-L317 HydrophobicContact CD1-CD1 4.36Å; I287-Y348 HydrophobicContact CG2-CD1 4.14Å; I287-Y348 HydrophobicContact CG2-CD2 4.15Å; I287-Y348 HydrophobicContact CG2-CE1 3.82Å; I287-Y348 HydrophobicContact CG2-CE2 3.8Å; I287-Y348 HydrophobicContact CG2-CG 4.31Å; I287-I352 HydrophobicContact CD1-CD1 4.08Å; I287-I352 HydrophobicContact CD1-CG1 4.43Å; I287-W355 HydrophobicContact CD1-CH2 4.03Å; I287-W355 HydrophobicContact CD1-CZ3 3.87Å
288A92.1Very high89.8Confident0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-62.4-41.5-179.300000112.4A284 E285 N290 W335 V344 Y348A284-A288 VanDerWaalsContact O-CB 3.29Å; A284-A288 WeakPolarHBondContact O-CB 3.42Å; A284-A288 PolarHBondContact O-N 3.05Å; E285-A288 PolarHBondContact O-N 3.13Å; A288-N290 VanDerWaalsContact C-N 3.28Å; A288-N290 PolarHBondContact O-N 2.79Å; A288-W335 WeakPolarHBondContact O-CZ2 2.99Å; A288-W335 PolarHBondContact O-NE1 3.28Å; A288-V344 HydrophobicContact CB-CG1 3.98Å; A288-Y348 HydrophobicContact CB-CD2 4.17Å; A288-Y348 HydrophobicContact CB-CE2 4.25Å
289Q91.3Very high90.6Very high84 Ų8443.3 Ų43.339%0.39321%0.206SC..Hα-helixtrans-68.7-27.7177.4-71.8175.99.300112.6E285 I287E285-Q289 HydrophobicContact CG-CG 4.44Å; E285-Q289 WeakPolarHBondContact O-CB 3.17Å; E285-Q289 VanDerWaalsContact O-CG 3.28Å; E285-Q289 WeakPolarHBondContact O-CG 3.27Å; E285-Q289 PolarHBondContact O-N 2.9Å; E285-Q289 PolarHBondContact OE1-NE2 3.26Å; I287-Q289 PolarHBondContact O-N 3.42Å
290N91.4Very high90.8Very high69 Ų6943.5 Ų43.537%0.36921%0.206SC..THydrogen-bonded Turntrans-122.253.4-173.3-59.7-82.4000111.6L286 I287 A288 H292 I293 W296L286-N290 WeakPolarHBondContact O-CB 3.28Å; L286-N290 PolarHBondContact O-N 3.45Å; L286-N290 PolarHBondContact O-ND2 3.01Å; I287-N290 CarbonylContact O-C 3.49Å; I287-N290 VanDerWaalsContact O-C 3.27Å; I287-N290 PolarHBondContact O-N 3.49Å; A288-N290 VanDerWaalsContact C-N 3.28Å; A288-N290 PolarHBondContact O-N 2.79Å; N290-H292 PolarHBondContact O-N 3.41Å; N290-I293 HydrophobicContact CB-CG1 3.89Å; N290-I293 WeakPolarHBondContact O-CB 3.41Å; N290-I293 PolarHBondContact O-N 3.31Å; N290-W296 HydrophobicContact CB-CH2 3.93Å; N290-W296 HydrophobicContact CB-CZ2 4Å
291I90.2Very high90.2Very high3 Ų345.8 Ų45.82%0.01522%0.223CC..THydrogen-bonded Turntrans-53.7-24-174.5-165.863.5000114.6I287 I293 Y320 A323 L324 Y327 W335 Y348I287-I291 PolarHBondContact O-N 3.45Å; I291-I293 VanDerWaalsContact C-N 3.3Å; I291-I293 PolarHBondContact O-N 3.49Å; I291-Y320 HydrophobicContact CD1-CD2 4.22Å; I291-Y320 HydrophobicContact CD1-CE2 3.92Å; I291-Y320 PolarHBondContact O-OH 2.82Å; I291-Y320 VanDerWaalsContact O-OH 3.1Å; I291-A323 HydrophobicContact CD1-CB 3.94Å; I291-L324 HydrophobicContact CG1-CD1 4.35Å; I291-Y327 HydrophobicContact CG2-CD1 4.22Å; I291-Y327 HydrophobicContact CG2-CD2 3.62Å; I291-Y327 HydrophobicContact CG2-CE1 4.45Å; I291-Y327 HydrophobicContact CG2-CE2 3.84Å; I291-Y327 HydrophobicContact CG2-CG 3.82Å; I291-W335 HydrophobicContact CB-CZ2 4.22Å; I291-W335 HydrophobicContact CD1-CZ2 4.22Å; I291-W335 HydrophobicContact CG1-CZ2 4.25Å; I291-Y348 VanDerWaalsContact CD1-OH 3.23Å; I291-Y348 WeakPolarHBondContact CD1-OH 3.39Å
292H87.9Confident89.1Confident109 Ų10944.7 Ų44.751%0.50522%0.223SC..THydrogen-bonded Turntrans-77.7-13.8180-59-62.6000113.7N290 Q294 Y327N290-H292 PolarHBondContact O-N 3.41Å; H292-Q294 PolarHBondContact O-N 3.34Å; H292-Y327 AromaticContact CE1-CE1 3.36Å; H292-Y327 WeakPolarHBondContact CE1-CE1 3.29Å; H292-Y327 AromaticContact CE1-CZ 3.55Å; H292-Y327 AromaticContact NE2-CE1 3.65Å; H292-Y327 AromaticContact NE2-CZ 3.3Å; H292-Y327 VanDerWaalsContact NE2-CZ 3.3Å; H292-Y327 PolarHBondContact NE2-OH 2.81Å
293I90.9Very high87.7Confident25 Ų2545.9 Ų45.913%0.12822%0.224CC..  trans-82.7114.6-178.3-58.5-54.3000109.6N290 I291 R295 W296 A387N290-I293 HydrophobicContact CB-CG1 3.89Å; N290-I293 WeakPolarHBondContact O-CB 3.41Å; N290-I293 PolarHBondContact O-N 3.31Å; I291-I293 VanDerWaalsContact C-N 3.3Å; I291-I293 PolarHBondContact O-N 3.49Å; I293-R295 VanDerWaalsContact CG2-O 3.29Å; I293-R295 WeakPolarHBondContact CG2-O 3.39Å; I293-W296 HydrophobicContact CB-CH2 4.29Å; I293-W296 HydrophobicContact CB-CZ2 3.75Å; I293-W296 HydrophobicContact CG1-CH2 4.35Å; I293-W296 HydrophobicContact CG1-CZ2 4.25Å; I293-W296 HydrophobicContact CG2-CD2 4Å; I293-W296 HydrophobicContact CG2-CE3 4.38Å; I293-W296 HydrophobicContact CG2-CH2 4.18Å; I293-W296 HydrophobicContact CG2-CZ2 3.77Å; I293-W296 HydrophobicContact CG2-CZ3 4.42Å; I293-A387 HydrophobicContact CB-CB 4.44Å; I293-A387 HydrophobicContact CD1-CB 3.82Å; I293-A387 HydrophobicContact CG1-CB 3.91Å; I293-A387 HydrophobicContact CG2-CB 3.67Å
294Q90.4Very high86Confident133 Ų13351.9 Ų51.962%0.62125%0.246SC*.  trans-84.3-26.5-176.8-63.7-174.21.500113.7H292 D313 V314H292-Q294 PolarHBondContact O-N 3.34Å; Q294-D313 CarbonylContact O-C 3.45Å; Q294-D313 WeakPolarHBondContact O-CA 3.37Å; Q294-V314 WeakPolarHBondContact O-CG2 3.42Å; Q294-V314 PolarHBondContact O-N 2.81Å
295R92.7Very high84.4Confident54 Ų5453 Ų5320%0.20426%0.258CS..EExtended strand (participates in β ladder)trans-134.6133.7-174.4175.8177.8-67.2162.42.3110.5I293 Y311 D313 Y388I293-R295 VanDerWaalsContact CG2-O 3.29Å; I293-R295 WeakPolarHBondContact CG2-O 3.39Å; R295-Y311 HydrophobicContact CG-CD2 3.93Å; R295-Y311 HydrophobicContact CG-CG 4.3Å; R295-D313 WeakPolarHBondContact CB-OD1 3.46Å; R295-D313 WeakPolarHBondContact CD-OD1 3.3Å; R295-D313 WeakPolarHBondContact CG-OD1 3.37Å; R295-D313 IonicContact CZ-OD1 3.19Å; R295-D313 IonicContact CZ-OD2 3.3Å; R295-D313 IonicContact NE-OD1 2.69Å; R295-D313 PolarHBondContact NE-OD1 2.94Å; R295-D313 IonicContact NE-OD2 3.19Å; R295-D313 IonicContact NH2-OD1 3.95Å; R295-D313 PolarHBondContact NH2-OD1 2.93Å; R295-D313 IonicContact NH2-OD2 2.87Å; R295-D313 PolarHBondContact NH2-OD2 2.87Å; R295-Y388 HydrophobicContact CB-CD1 4.28Å; R295-Y388 HydrophobicContact CB-CG 4.06Å; R295-Y388 VanDerWaalsContact CD-CG 3.46Å; R295-Y388 HydrophobicContact CG-CD1 4.36Å; R295-Y388 HydrophobicContact CG-CD2 4.27Å; R295-Y388 HydrophobicContact CG-CG 3.84Å; R295-Y388 VanDerWaalsContact O-CB 3.22Å; R295-Y388 WeakPolarHBondContact O-CB 3.12Å; R295-Y388 PolarHBondContact O-N 3.34Å
296W94.3Very high82.9Confident6 Ų650 Ų502%0.02325%0.252CS..EExtended strand (participates in β ladder)trans-113.3131.3177.9-67.993.6000110.5L286 I287 N290 I293 F298 Y311 C312 V385 A387L286-W296 HydrophobicContact CD2-CD2 4.09Å; L286-W296 HydrophobicContact CD2-CE3 3.42Å; L286-W296 VanDerWaalsContact CD2-CE3 3.42Å; L286-W296 HydrophobicContact CD2-CH2 3.33Å; L286-W296 HydrophobicContact CD2-CZ2 4.01Å; L286-W296 HydrophobicContact CD2-CZ3 3.03Å; L286-W296 HydrophobicContact CG-CH2 3.64Å; L286-W296 HydrophobicContact CG-CZ2 4.42Å; L286-W296 HydrophobicContact CG-CZ3 3.77Å; I287-W296 HydrophobicContact CG1-CZ2 4.21Å; N290-W296 HydrophobicContact CB-CH2 3.93Å; N290-W296 HydrophobicContact CB-CZ2 4Å; I293-W296 HydrophobicContact CB-CH2 4.29Å; I293-W296 HydrophobicContact CB-CZ2 3.75Å; I293-W296 HydrophobicContact CG1-CH2 4.35Å; I293-W296 HydrophobicContact CG1-CZ2 4.25Å; I293-W296 HydrophobicContact CG2-CD2 4Å; I293-W296 HydrophobicContact CG2-CE3 4.38Å; I293-W296 HydrophobicContact CG2-CH2 4.18Å; I293-W296 HydrophobicContact CG2-CZ2 3.77Å; I293-W296 HydrophobicContact CG2-CZ3 4.42Å; W296-F298 HydrophobicContact CB-CE2 4.39Å; W296-Y311 CarbonylContact O-C 3.38Å; W296-Y311 WeakPolarHBondContact O-CA 3.22Å; W296-Y311 WeakPolarHBondContact O-CB 3.41Å; W296-C312 PolarHBondContact N-O 2.81Å; W296-C312 PolarHBondContact O-N 2.86Å; W296-V385 HydrophobicContact CE3-CG1 4.12Å; W296-A387 HydrophobicContact CZ3-CB 4.08Å
297L91.9Very high81.8Confident8 Ų852.1 Ų52.14%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-100.5140.3177.3-65.5179.9000110.4A310 Y311 V385 E386 Y388 L424L297-A310 CarbonylContact C-O 3.44Å; L297-A310 WeakPolarHBondContact CA-O 3.11Å; L297-Y311 HydrophobicContact CD2-CG 4.49Å; L297-V385 CarbonylContact O-C 3.59Å; L297-V385 VanDerWaalsContact O-CA 3.27Å; L297-V385 WeakPolarHBondContact O-CA 3.02Å; L297-E386 HydrophobicContact CB-CG 3.75Å; L297-E386 HydrophobicContact CD1-CG 4.13Å; L297-E386 WeakPolarHBondContact CD1-OE1 3.49Å; L297-E386 HydrophobicContact CG-CG 4.47Å; L297-E386 PolarHBondContact N-O 3.44Å; L297-E386 PolarHBondContact O-N 2.86Å; L297-Y388 HydrophobicContact CD1-CD2 3.86Å; L297-Y388 HydrophobicContact CD2-CD2 3.73Å; L297-Y388 HydrophobicContact CD2-CE2 4.42Å; L297-Y388 HydrophobicContact CG-CD2 3.87Å; L297-L424 HydrophobicContact CD2-CD2 3.92Å
298F91.7Very high81Confident0 Ų052.5 Ų52.50%026%0.258CS..EExtended strand (participates in β ladder)trans-118.7122.1173.1-57.9-98.1000108.4L283 W296 A309 A310 L356 W371 F374 F378 V384 V385L283-F298 HydrophobicContact CD1-CE1 4.5Å; L283-F298 HydrophobicContact CD1-CZ 4.24Å; L283-F298 HydrophobicContact CD2-CE1 4.18Å; L283-F298 HydrophobicContact CD2-CZ 3.87Å; W296-F298 HydrophobicContact CB-CE2 4.39Å; F298-A309 CarbonylContact O-C 3.48Å; F298-A309 WeakPolarHBondContact O-CA 3.44Å; F298-A310 HydrophobicContact CB-CB 4.33Å; F298-A310 PolarHBondContact N-O 3.21Å; F298-A310 PolarHBondContact O-N 3.47Å; F298-L356 HydrophobicContact CE2-CD2 4.03Å; F298-L356 HydrophobicContact CZ-CD2 3.79Å; F298-W371 AromaticContact CD1-CH2 3.9Å; F298-W371 HydrophobicContact CD1-CH2 3.9Å; F298-W371 HydrophobicContact CD2-CH2 4.34Å; F298-W371 HydrophobicContact CD2-CZ3 4.36Å; F298-W371 AromaticContact CE1-CH2 3.99Å; F298-W371 HydrophobicContact CE1-CH2 3.99Å; F298-W371 HydrophobicContact CE2-CH2 4.42Å; F298-W371 HydrophobicContact CG-CH2 4.1Å; F298-W371 HydrophobicContact CG-CZ3 4.31Å; F298-W371 HydrophobicContact CZ-CH2 4.25Å; F298-F374 HydrophobicContact CB-CE1 3.82Å; F298-F374 HydrophobicContact CB-CZ 3.99Å; F298-F378 HydrophobicContact CB-CE2 4.13Å; F298-F378 HydrophobicContact CD1-CZ 4.47Å; F298-V384 WeakPolarHBondContact CA-O 3.48Å; F298-V385 HydrophobicContact CD1-CG1 4.4Å; F298-V385 HydrophobicContact CD1-CG2 3.65Å; F298-V385 HydrophobicContact CE1-CG1 4.11Å; F298-V385 HydrophobicContact CE1-CG2 3.78Å; F298-V385 HydrophobicContact CZ-CG1 4.46Å
299K88.8Confident80.8Confident44 Ų4452.8 Ų52.819%0.19126%0.261CS..EExtended strand (participates in β ladder)trans-127.2131-180-58.5177.1-175.8166.20111.7A309 F378 G383 V384 E386K299-A309 HydrophobicContact CG-CB 4.12Å; K299-F378 WeakPolarHBondContact O-CE2 3.44Å; K299-G383 CarbonylContact O-C 3.56Å; K299-G383 WeakPolarHBondContact O-CA 3.19Å; K299-V384 HydrophobicContact CB-CG1 3.84Å; K299-V384 HydrophobicContact CD-CG1 4.27Å; K299-V384 HydrophobicContact CG-CG1 4.43Å; K299-V384 PolarHBondContact N-O 3.31Å; K299-V384 PolarHBondContact O-N 3.42Å; K299-E386 VanDerWaalsContact CE-CD 3.46Å; K299-E386 WeakPolarHBondContact CE-OE1 3.36Å; K299-E386 WeakPolarHBondContact CE-OE2 3.44Å; K299-E386 IonicContact NZ-OE1 3.32Å; K299-E386 PolarHBondContact NZ-OE1 3.21Å; K299-E386 IonicContact NZ-OE2 2.87Å; K299-E386 PolarHBondContact NZ-OE2 2.92Å
300I86.5Confident80.8Confident10 Ų1048.8 Ų48.85%0.05124%0.242CC..EExtended strand (participates in β ladder)trans-84.8137.7179.2-59.9168.2000110.9V302 D308 F368 F374 I377 F378 Q381I300-V302 HydrophobicContact CG2-CG2 4.5Å; I300-V302 PolarHBondContact O-N 3.46Å; I300-D308 HydrophobicContact CB-CB 4.06Å; I300-D308 HydrophobicContact CD1-CB 4.19Å; I300-D308 HydrophobicContact CG1-CB 4.47Å; I300-D308 PolarHBondContact N-O 2.9Å; I300-D308 VanDerWaalsContact N-O 3.12Å; I300-F368 HydrophobicContact CD1-CE1 4.32Å; I300-F368 HydrophobicContact CD1-CE2 4.47Å; I300-F368 HydrophobicContact CD1-CZ 3.76Å; I300-F374 HydrophobicContact CD1-CD2 3.93Å; I300-F374 HydrophobicContact CD1-CE2 3.55Å; I300-F374 HydrophobicContact CD1-CZ 3.97Å; I300-F374 HydrophobicContact CG1-CE2 4.01Å; I300-F374 HydrophobicContact CG1-CZ 3.96Å; I300-I377 HydrophobicContact CD1-CB 4.49Å; I300-I377 HydrophobicContact CD1-CG2 3.96Å; I300-F378 HydrophobicContact CG1-CB 4.18Å; I300-F378 HydrophobicContact CG1-CD2 3.77Å; I300-F378 HydrophobicContact CG1-CG 4.44Å; I300-Q381 HydrophobicContact CG2-CB 3.8Å; I300-Q381 HydrophobicContact CG2-CG 4.46Å; I300-Q381 VanDerWaalsContact CG2-OE1 3.23Å
301N76.6Confident80.8Confident113 Ų11346.5 Ų46.560%0.60423%0.228SC*.THydrogen-bonded Turntrans-64.8-2.7-171.2-75.5-23000117.2G382 G383N301-G382 PolarHBondContact N-O 3.46Å; N301-G382 VanDerWaalsContact N-O 3.13Å; N301-G382 VanDerWaalsContact ND2-C 3.33Å; N301-G383 PolarHBondContact ND2-N 3.04Å
302V63Low80.9Confident70 Ų7046.3 Ų46.342%0.42423%0.227SC..THydrogen-bonded Turntrans-107.2-19.3-159.8-179.60000114.7I300 Q381I300-V302 HydrophobicContact CG2-CG2 4.5Å; I300-V302 PolarHBondContact O-N 3.46Å; V302-Q381 VanDerWaalsContact CB-OE1 3.27Å; V302-Q381 HydrophobicContact CG2-CB 3.94Å; V302-Q381 HydrophobicContact CG2-CG 4.18Å
303Q58.8Low81.2Confident90 Ų9042.4 Ų42.442%0.42121%0.21SC..  trans-131.2145.5-173.8-64.4-164.81.500114.8D308Q303-D308 WeakPolarHBondContact CB-OD2 3.26Å; Q303-D308 WeakPolarHBondContact CG-OD2 3.49Å; Q303-D308 PolarHBondContact OE1-OD2 3.17Å
304R56.8Low81.3Confident129 Ų12941.2 Ų41.249%0.48720%0.204SC..SBendtrans-78.1145.3175.6-58.4-175.3-176.1176.4-1.1111.5I486R304-I486 PolarHBondContact NH2-O 3.33Å
305G58.3Low81.3Confident23 Ų2339.2 Ų39.224%0.23720%0.204CC..SBendtrans83.539.2164.800000116.7R307G305-R307 PolarHBondContact O-N 2.89Å
306G60.9Low81.2Confident30 Ų3040.6 Ų40.631%0.30921%0.212SC..SBendtrans73.3-12.1160.700000118.5D308 A309G306-D308 VanDerWaalsContact C-N 3.31Å; G306-D308 PolarHBondContact O-N 3.14Å; G306-A309 WeakPolarHBondContact O-CB 3.45Å; G306-A309 PolarHBondContact O-N 2.85Å
307R68.6Low81.2Confident94 Ų9440.5 Ų40.536%0.35521%0.212SC..THydrogen-bonded Turntrans-70.3-20.3-174-66-170.3-64.8-176.9-3.1116.1G305 A309 D425 R542G305-R307 PolarHBondContact O-N 2.89Å; R307-A309 VanDerWaalsContact C-N 3.3Å; R307-D425 WeakPolarHBondContact CG-OD1 3.17Å; R307-R542 VanDerWaalsContact NE-NH1 3.18Å; R307-R542 VanDerWaalsContact NH1-NH1 3.14Å
308D78.9Confident81.1Confident8 Ų842.7 Ų42.74%0.04324%0.236CC..THydrogen-bonded Turntrans-102.540.7175.3-71.5-21.1000109.4I300 Q303 G306 R367 F368I300-D308 HydrophobicContact CB-CB 4.06Å; I300-D308 HydrophobicContact CD1-CB 4.19Å; I300-D308 HydrophobicContact CG1-CB 4.47Å; I300-D308 PolarHBondContact N-O 2.9Å; I300-D308 VanDerWaalsContact N-O 3.12Å; Q303-D308 WeakPolarHBondContact CB-OD2 3.26Å; Q303-D308 WeakPolarHBondContact CG-OD2 3.49Å; Q303-D308 PolarHBondContact OE1-OD2 3.17Å; G306-D308 VanDerWaalsContact C-N 3.31Å; G306-D308 PolarHBondContact O-N 3.14Å; D308-R367 IonicContact OD1-NH1 3.1Å; D308-R367 PolarHBondContact OD1-NH1 3.14Å; D308-R367 IonicContact OD2-NH1 2.74Å; D308-R367 PolarHBondContact OD2-NH1 3.42Å; D308-F368 HydrophobicContact CB-CE2 4.41Å; D308-F368 VanDerWaalsContact OD1-CE2 3.3Å; D308-F368 WeakPolarHBondContact OD1-CE2 3.49Å
309A86.9Confident81.1Confident6 Ų643.1 Ų43.15%0.0524%0.239CC..EExtended strand (participates in β ladder)trans-117.9157176.800000112.5F298 K299 G306 R307 A363 L424F298-A309 CarbonylContact O-C 3.48Å; F298-A309 WeakPolarHBondContact O-CA 3.44Å; K299-A309 HydrophobicContact CG-CB 4.12Å; G306-A309 WeakPolarHBondContact O-CB 3.45Å; G306-A309 PolarHBondContact O-N 2.85Å; R307-A309 VanDerWaalsContact C-N 3.3Å; A309-A363 VanDerWaalsContact O-CB 3.24Å; A309-A363 WeakPolarHBondContact O-CB 3.26Å; A309-A363 PolarHBondContact O-N 3.25Å; A309-L424 HydrophobicContact CB-CD1 4.32Å; A309-L424 HydrophobicContact CB-CD2 4.34Å
310A90.4Very high81.4Confident0 Ų042.5 Ų42.50%024%0.236CC..EExtended strand (participates in β ladder)trans-139.7157.5172.900000109.2L297 F298 T360 I361 L362 W371 F374L297-A310 CarbonylContact C-O 3.44Å; L297-A310 WeakPolarHBondContact CA-O 3.11Å; F298-A310 HydrophobicContact CB-CB 4.33Å; F298-A310 PolarHBondContact N-O 3.21Å; F298-A310 PolarHBondContact O-N 3.47Å; A310-T360 HydrophobicContact CB-CG2 3.67Å; A310-I361 CarbonylContact C-O 3.39Å; A310-I361 VanDerWaalsContact CA-O 3.32Å; A310-I361 WeakPolarHBondContact CA-O 3.22Å; A310-L362 HydrophobicContact CB-CD2 3.82Å; A310-W371 HydrophobicContact CB-CZ3 4.32Å; A310-F374 HydrophobicContact CB-CD1 4.34Å; A310-F374 HydrophobicContact CB-CD2 4.48Å; A310-F374 HydrophobicContact CB-CE1 3.95Å; A310-F374 HydrophobicContact CB-CE2 4.09Å; A310-F374 HydrophobicContact CB-CZ 3.82Å
311Y91.9Very high81.6Confident21 Ų2145.5 Ų45.58%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-138.1156.1169.575-101.3000112.2R295 W296 L297 T360 I361 L424R295-Y311 HydrophobicContact CG-CD2 3.93Å; R295-Y311 HydrophobicContact CG-CG 4.3Å; W296-Y311 CarbonylContact O-C 3.38Å; W296-Y311 WeakPolarHBondContact O-CA 3.22Å; W296-Y311 WeakPolarHBondContact O-CB 3.41Å; L297-Y311 HydrophobicContact CD2-CG 4.49Å; Y311-T360 WeakPolarHBondContact O-CA 3.39Å; Y311-I361 HydrophobicContact CD1-CB 4.23Å; Y311-I361 HydrophobicContact CD1-CG2 4.34Å; Y311-I361 HydrophobicContact CD2-CB 4.36Å; Y311-I361 HydrophobicContact CE1-CB 3.79Å; Y311-I361 HydrophobicContact CE1-CG2 3.6Å; Y311-I361 HydrophobicContact CE2-CB 3.95Å; Y311-I361 HydrophobicContact CE2-CD1 3.65Å; Y311-I361 HydrophobicContact CE2-CG1 4.2Å; Y311-I361 HydrophobicContact CG-CB 4.48Å; Y311-I361 PolarHBondContact N-O 3.26Å; Y311-I361 PolarHBondContact O-N 3.22Å; Y311-I361 WeakPolarHBondContact OH-CD1 3.4Å; Y311-L424 HydrophobicContact CD1-CD1 3.73Å; Y311-L424 HydrophobicContact CD1-CD2 4.07Å; Y311-L424 HydrophobicContact CD1-CG 3.89Å; Y311-L424 HydrophobicContact CE1-CD1 4.3Å; Y311-L424 HydrophobicContact CE1-CG 4.31Å
312C93Very high82.4Confident0 Ų043.6 Ų43.60%024%0.242CC..EExtended strand (participates in β ladder)trans-142.1139.8174.1-155.50000111W296 W355 L356 Y359W296-C312 PolarHBondContact N-O 2.81Å; W296-C312 PolarHBondContact O-N 2.86Å; C312-W355 HydrophobicContact CB-CH2 3.86Å; C312-W355 HydrophobicContact CB-CZ2 3.51Å; C312-W355 WeakPolarHBondContact SG-CZ2 3.49Å; C312-W355 PolarHBondContact SG-NE1 2.84Å; C312-L356 HydrophobicContact CB-CD2 4.07Å; C312-Y359 PolarHBondContact SG-O 3.45Å; C312-Y359 VanDerWaalsContact SG-O 3.36Å
313D92.9Very high83.8Confident26 Ų2640.3 Ų40.314%0.13922%0.223CC..EExtended strand (participates in β ladder)trans-99127.2-176.1-68.5-22.9000110.4Q294 R295 C315 H316 W355Q294-D313 CarbonylContact O-C 3.45Å; Q294-D313 WeakPolarHBondContact O-CA 3.37Å; R295-D313 WeakPolarHBondContact CB-OD1 3.46Å; R295-D313 WeakPolarHBondContact CD-OD1 3.3Å; R295-D313 WeakPolarHBondContact CG-OD1 3.37Å; R295-D313 IonicContact CZ-OD1 3.19Å; R295-D313 IonicContact CZ-OD2 3.3Å; R295-D313 IonicContact NE-OD1 2.69Å; R295-D313 PolarHBondContact NE-OD1 2.94Å; R295-D313 IonicContact NE-OD2 3.19Å; R295-D313 IonicContact NH2-OD1 3.95Å; R295-D313 PolarHBondContact NH2-OD1 2.93Å; R295-D313 IonicContact NH2-OD2 2.87Å; R295-D313 PolarHBondContact NH2-OD2 2.87Å; D313-C315 PolarHBondContact O-N 2.97Å; D313-H316 PolarHBondContact O-N 3.02Å; D313-W355 PolarHBondContact O-NE1 3.22Å
314V93.3Very high85.3Confident1 Ų138.6 Ų38.61%0.00622%0.216CC..G310 helixtrans-68.3-14-177.5-550000112.6I287 Q294 H316 L317 Y320 W355I287-V314 HydrophobicContact CG2-CG1 4.5Å; Q294-V314 WeakPolarHBondContact O-CG2 3.42Å; Q294-V314 PolarHBondContact O-N 2.81Å; V314-H316 PolarHBondContact O-N 3.32Å; V314-H316 VanDerWaalsContact O-N 3.14Å; V314-L317 HydrophobicContact CB-CD1 4.12Å; V314-L317 HydrophobicContact CG1-CD1 4.31Å; V314-L317 WeakPolarHBondContact O-CB 3.42Å; V314-L317 PolarHBondContact O-N 2.98Å; V314-Y320 HydrophobicContact CB-CD2 3.87Å; V314-Y320 HydrophobicContact CB-CE2 4.12Å; V314-Y320 HydrophobicContact CB-CG 4.24Å; V314-Y320 HydrophobicContact CG2-CD1 4.1Å; V314-Y320 HydrophobicContact CG2-CD2 3.58Å; V314-Y320 HydrophobicContact CG2-CE1 3.89Å; V314-Y320 HydrophobicContact CG2-CE2 3.37Å; V314-Y320 HydrophobicContact CG2-CG 3.96Å; V314-Y320 WeakPolarHBondContact O-CB 3.15Å; V314-W355 HydrophobicContact CG1-CZ2 4.27Å
315C90.2Very high87Confident91 Ų9138.4 Ų38.462%0.61522%0.221SC*.G310 helixtrans-61.9-18.4174.264.40000112.8D313D313-C315 PolarHBondContact O-N 2.97Å
316H92.1Very high88.4Confident82 Ų8241.3 Ų41.338%0.3822%0.224SC..G310 helixtrans-87.6-6.7174.4-59.4-56.1000113.9D313 V314 Y359D313-H316 PolarHBondContact O-N 3.02Å; V314-H316 PolarHBondContact O-N 3.32Å; V314-H316 VanDerWaalsContact O-N 3.14Å; H316-Y359 HydrophobicContact CB-CD1 3.61Å; H316-Y359 HydrophobicContact CB-CD2 3.75Å; H316-Y359 HydrophobicContact CB-CE1 3.98Å; H316-Y359 HydrophobicContact CB-CE2 4.1Å; H316-Y359 HydrophobicContact CB-CG 3.48Å; H316-Y359 VanDerWaalsContact CB-CG 3.48Å; H316-Y359 AromaticContact CD2-CD1 3.68Å; H316-Y359 AromaticContact CD2-CG 3.94Å; H316-Y359 AromaticContact CG-CD1 3.33Å; H316-Y359 AromaticContact CG-CE1 3.83Å; H316-Y359 AromaticContact CG-CG 3.66Å; H316-Y359 AromaticContact ND1-CD1 3.57Å; H316-Y359 AromaticContact ND1-CE1 3.69Å
317L92.8Very high89.9Confident5 Ų541.9 Ų41.93%0.02622%0.218CC..  trans-80.9120.6169.3-71.7160.4000108.8I287 V314 C319 Y320 Y348 E351 I352 W355I287-L317 HydrophobicContact CD1-CD1 4.36Å; V314-L317 HydrophobicContact CB-CD1 4.12Å; V314-L317 HydrophobicContact CG1-CD1 4.31Å; V314-L317 WeakPolarHBondContact O-CB 3.42Å; V314-L317 PolarHBondContact O-N 2.98Å; L317-C319 VanDerWaalsContact C-N 3.31Å; L317-C319 PolarHBondContact O-N 2.85Å; L317-Y320 WeakPolarHBondContact O-CB 3.43Å; L317-Y320 PolarHBondContact O-N 2.97Å; L317-Y348 HydrophobicContact CD1-CD1 3.93Å; L317-Y348 HydrophobicContact CD1-CE1 3.96Å; L317-E351 HydrophobicContact CD2-CB 3.76Å; L317-I352 HydrophobicContact CD2-CG1 4.43Å; L317-W355 HydrophobicContact CD1-CD2 3.95Å; L317-W355 HydrophobicContact CD1-CE3 4.15Å; L317-W355 HydrophobicContact CD1-CG 4.44Å; L317-W355 HydrophobicContact CD1-CH2 4.37Å; L317-W355 HydrophobicContact CD1-CZ2 4.17Å; L317-W355 HydrophobicContact CD1-CZ3 4.35Å; L317-W355 HydrophobicContact CD2-CB 3.55Å; L317-W355 HydrophobicContact CD2-CD2 3.75Å; L317-W355 HydrophobicContact CD2-CE3 4.12Å; L317-W355 HydrophobicContact CD2-CG 3.5Å; L317-W355 VanDerWaalsContact CD2-CG 3.5Å; L317-W355 HydrophobicContact CG-CB 4.27Å; L317-W355 HydrophobicContact CG-CD2 3.72Å; L317-W355 HydrophobicContact CG-CE3 4.31Å; L317-W355 HydrophobicContact CG-CG 3.67Å
318G91.1Very high90.9Very high53 Ų5344 Ų4455%0.54623%0.232SC..Hα-helixtrans-61.2-42179.100000111.7Y320 S321 E351G318-Y320 PolarHBondContact O-N 2.97Å; G318-S321 PolarHBondContact O-OG 2.87Å; G318-E351 WeakPolarHBondContact CA-OE2 3.42Å; G318-E351 PolarHBondContact N-OE2 2.93Å
319C92.3Very high91.4Very high9 Ų952.7 Ų52.76%0.06127%0.265CS..Hα-helixtrans-67.8-15.5178.464.10000114.4L317 S321 W322 A323 K347 Y348 E351L317-C319 VanDerWaalsContact C-N 3.31Å; L317-C319 PolarHBondContact O-N 2.85Å; C319-S321 PolarHBondContact O-N 3.18Å; C319-W322 WeakPolarHBondContact O-CB 3.45Å; C319-W322 PolarHBondContact O-N 3.23Å; C319-A323 PolarHBondContact O-N 2.83Å; C319-K347 HydrophobicContact CB-CB 4.25Å; C319-Y348 WeakPolarHBondContact SG-CD1 3.45Å; C319-E351 VanDerWaalsContact CB-OE1 3.3Å; C319-E351 WeakPolarHBondContact CB-OE1 3.39Å; C319-E351 PolarHBondContact N-OE1 3.38Å; C319-E351 PolarHBondContact N-OE2 3.09Å; C319-E351 VanDerWaalsContact SG-CD 3.51Å; C319-E351 PolarHBondContact SG-OE2 2.79Å
320Y93.1Very high91.4Very high31 Ų3154.2 Ų54.212%0.12227%0.271CS..Hα-helixtrans-63.3-41.2-176.8177.8-101.3000112.5I291 V314 L317 G318 W322 A323 L324 Y348I291-Y320 HydrophobicContact CD1-CD2 4.22Å; I291-Y320 HydrophobicContact CD1-CE2 3.92Å; I291-Y320 PolarHBondContact O-OH 2.82Å; I291-Y320 VanDerWaalsContact O-OH 3.1Å; V314-Y320 HydrophobicContact CB-CD2 3.87Å; V314-Y320 HydrophobicContact CB-CE2 4.12Å; V314-Y320 HydrophobicContact CB-CG 4.24Å; V314-Y320 HydrophobicContact CG2-CD1 4.1Å; V314-Y320 HydrophobicContact CG2-CD2 3.58Å; V314-Y320 HydrophobicContact CG2-CE1 3.89Å; V314-Y320 HydrophobicContact CG2-CE2 3.37Å; V314-Y320 HydrophobicContact CG2-CG 3.96Å; V314-Y320 WeakPolarHBondContact O-CB 3.15Å; L317-Y320 WeakPolarHBondContact O-CB 3.43Å; L317-Y320 PolarHBondContact O-N 2.97Å; G318-Y320 PolarHBondContact O-N 2.97Å; Y320-W322 VanDerWaalsContact C-N 3.31Å; Y320-W322 PolarHBondContact O-N 3.07Å; Y320-A323 PolarHBondContact O-N 2.9Å; Y320-L324 WeakPolarHBondContact O-CB 3.45Å; Y320-L324 PolarHBondContact O-N 3.31Å; Y320-Y348 HydrophobicContact CD2-CE1 4.48Å; Y320-Y348 WeakPolarHBondContact CD2-OH 3.36Å
321S91.3Very high91.2Very high73 Ų7355.6 Ų55.651%0.5129%0.285SS..Hα-helixtrans-60.1-41.5177.163.20000112.3G318 C319 Q325G318-S321 PolarHBondContact O-OG 2.87Å; C319-S321 PolarHBondContact O-N 3.18Å; S321-Q325 WeakPolarHBondContact O-CG 3.44Å; S321-Q325 PolarHBondContact O-N 2.9Å
322W93.9Very high90.8Very high73 Ų7357.5 Ų57.528%0.27730%0.301SS..Hα-helixtrans-67.6-41.6175.3166.993.3000112.2C319 Y320 L324 Q325 R326 T343 V344 K347C319-W322 WeakPolarHBondContact O-CB 3.45Å; C319-W322 PolarHBondContact O-N 3.23Å; Y320-W322 VanDerWaalsContact C-N 3.31Å; Y320-W322 PolarHBondContact O-N 3.07Å; W322-L324 VanDerWaalsContact C-N 3.33Å; W322-L324 PolarHBondContact O-N 3.34Å; W322-Q325 PolarHBondContact O-N 2.67Å; W322-R326 VanDerWaalsContact CE2-NH1 3.28Å; W322-R326 HydrophobicContact CZ2-CG 4.48Å; W322-R326 VanDerWaalsContact CZ2-CZ 3.49Å; W322-R326 PolarHBondContact O-N 3.45Å; W322-R326 VanDerWaalsContact O-N 3.07Å; W322-T343 HydrophobicContact CH2-CG2 4.26Å; W322-V344 HydrophobicContact CH2-CG2 4.26Å; W322-V344 HydrophobicContact CZ3-CG2 4.06Å; W322-K347 HydrophobicContact CH2-CB 4.46Å; W322-K347 HydrophobicContact CH2-CG 3.89Å; W322-K347 HydrophobicContact CZ3-CB 4.01Å; W322-K347 HydrophobicContact CZ3-CG 3.9Å
323A91.9Very high90.3Very high1 Ų164.8 Ų64.81%0.00834%0.34CS..Hα-helixtrans-64.1-40.1177.600000111.2I291 C319 Y320 R326 Y327 W335 V344 Y348I291-A323 HydrophobicContact CD1-CB 3.94Å; C319-A323 PolarHBondContact O-N 2.83Å; Y320-A323 PolarHBondContact O-N 2.9Å; A323-R326 WeakPolarHBondContact O-CB 3.32Å; A323-R326 PolarHBondContact O-N 3.28Å; A323-Y327 PolarHBondContact O-N 3.41Å; A323-W335 HydrophobicContact CB-CH2 4.47Å; A323-V344 HydrophobicContact CB-CG1 4.1Å; A323-Y348 HydrophobicContact CB-CE2 4.23Å; A323-Y348 VanDerWaalsContact CB-OH 3.23Å; A323-Y348 WeakPolarHBondContact CB-OH 3.37Å
324L91.4Very high90Very high55 Ų5568.1 Ų68.129%0.28836%0.358SS..Hα-helixtrans-63.5-41.1176.2-171.965.6000112.2I291 Y320 W322 R326 Y327 Q328I291-L324 HydrophobicContact CG1-CD1 4.35Å; Y320-L324 WeakPolarHBondContact O-CB 3.45Å; Y320-L324 PolarHBondContact O-N 3.31Å; W322-L324 VanDerWaalsContact C-N 3.33Å; W322-L324 PolarHBondContact O-N 3.34Å; L324-R326 VanDerWaalsContact C-N 3.33Å; L324-R326 PolarHBondContact O-N 3.13Å; L324-Y327 PolarHBondContact O-N 2.87Å; L324-Q328 WeakPolarHBondContact O-CG 3.35Å; L324-Q328 PolarHBondContact O-N 3.14Å
325Q90.9Very high89.9Confident124 Ų12468.1 Ų68.158%0.57936%0.358SS*.Hα-helixtrans-62.1-40.3173.9-71.3172.48.900111.8S321 W322 Q328 Y329S321-Q325 WeakPolarHBondContact O-CG 3.44Å; S321-Q325 PolarHBondContact O-N 2.9Å; W322-Q325 PolarHBondContact O-N 2.67Å; Q325-Q328 PolarHBondContact O-N 2.94Å; Q325-Y329 PolarHBondContact O-N 3.01Å
326R89.1Confident89.7Confident84 Ų8469.2 Ų69.232%0.31735%0.353SS..Hα-helixtrans-65.2-42.4174.6-75.9-174.1125.1682.2112.1W322 A323 L324 Q328 Y329 F330 W335W322-R326 VanDerWaalsContact CE2-NH1 3.28Å; W322-R326 HydrophobicContact CZ2-CG 4.48Å; W322-R326 VanDerWaalsContact CZ2-CZ 3.49Å; W322-R326 PolarHBondContact O-N 3.45Å; W322-R326 VanDerWaalsContact O-N 3.07Å; A323-R326 WeakPolarHBondContact O-CB 3.32Å; A323-R326 PolarHBondContact O-N 3.28Å; L324-R326 VanDerWaalsContact C-N 3.33Å; L324-R326 PolarHBondContact O-N 3.13Å; R326-Q328 VanDerWaalsContact C-N 3.28Å; R326-Q328 PolarHBondContact O-N 3.26Å; R326-Y329 PolarHBondContact O-N 2.88Å; R326-Y329 VanDerWaalsContact O-N 3.13Å; R326-F330 HydrophobicContact CB-CD2 4.2Å; R326-F330 HydrophobicContact CB-CE2 4.23Å; R326-F330 HydrophobicContact CG-CE2 4.39Å; R326-F330 WeakPolarHBondContact O-CD2 3.36Å; R326-F330 PolarHBondContact O-N 2.71Å; R326-W335 HydrophobicContact CB-CZ3 3.94Å
327Y91.2Very high89.5Confident42 Ų4266.6 Ų66.617%0.16534%0.344CS..Hα-helixtrans-58.1-43.6174.9177.2-95000111.3I291 H292 A323 L324 Y329 G331 W335I291-Y327 HydrophobicContact CG2-CD1 4.22Å; I291-Y327 HydrophobicContact CG2-CD2 3.62Å; I291-Y327 HydrophobicContact CG2-CE1 4.45Å; I291-Y327 HydrophobicContact CG2-CE2 3.84Å; I291-Y327 HydrophobicContact CG2-CG 3.82Å; H292-Y327 AromaticContact CE1-CE1 3.36Å; H292-Y327 WeakPolarHBondContact CE1-CE1 3.29Å; H292-Y327 AromaticContact CE1-CZ 3.55Å; H292-Y327 AromaticContact NE2-CE1 3.65Å; H292-Y327 AromaticContact NE2-CZ 3.3Å; H292-Y327 VanDerWaalsContact NE2-CZ 3.3Å; H292-Y327 PolarHBondContact NE2-OH 2.81Å; A323-Y327 PolarHBondContact O-N 3.41Å; L324-Y327 PolarHBondContact O-N 2.87Å; Y327-Y329 VanDerWaalsContact C-N 3.31Å; Y327-Y329 PolarHBondContact O-N 2.82Å; Y327-G331 WeakPolarHBondContact O-CA 3.04Å; Y327-G331 PolarHBondContact O-N 3.01Å; Y327-W335 HydrophobicContact CD2-CB 3.96Å; Y327-W335 AromaticContact CD2-CD1 3.8Å; Y327-W335 AromaticContact CD2-CD2 3.56Å; Y327-W335 HydrophobicContact CD2-CD2 3.56Å; Y327-W335 AromaticContact CD2-CE2 3.87Å; Y327-W335 HydrophobicContact CD2-CE3 4.02Å; Y327-W335 AromaticContact CD2-CG 3.51Å; Y327-W335 HydrophobicContact CD2-CG 3.51Å; Y327-W335 AromaticContact CD2-NE1 4Å; Y327-W335 HydrophobicContact CE2-CB 4.13Å; Y327-W335 AromaticContact CE2-CD1 3.98Å; Y327-W335 HydrophobicContact CE2-CD2 4.43Å; Y327-W335 AromaticContact CE2-CG 3.92Å; Y327-W335 HydrophobicContact CE2-CG 3.92Å; Y327-W335 HydrophobicContact CG-CD2 4.41Å
328Q90.8Very high89.1Confident139 Ų13971 Ų7165%0.6537%0.372SS*.Hα-helixtrans-63.6-34.7175.8-70.8171.6-700112.9L324 Q325 R326L324-Q328 WeakPolarHBondContact O-CG 3.35Å; L324-Q328 PolarHBondContact O-N 3.14Å; Q325-Q328 PolarHBondContact O-N 2.94Å; R326-Q328 VanDerWaalsContact C-N 3.28Å; R326-Q328 PolarHBondContact O-N 3.26Å
329Y88.6Confident88.8Confident190 Ų19075.1 Ų75.175%0.74537%0.371SS*.Hα-helixtrans-73.6-47.4178.4179.4-98.1000113.2Q325 R326 Y327Q325-Y329 PolarHBondContact O-N 3.01Å; R326-Y329 PolarHBondContact O-N 2.88Å; R326-Y329 VanDerWaalsContact O-N 3.13Å; Y327-Y329 VanDerWaalsContact C-N 3.31Å; Y327-Y329 PolarHBondContact O-N 2.82Å
330F87.8Confident88.5Confident39 Ų3974.9 Ų74.917%0.17137%0.369CS..Hα-helixtrans-81.3-25.2-177.3-68.8-62.2000113.1R326 L334 W339 V340R326-F330 HydrophobicContact CB-CD2 4.2Å; R326-F330 HydrophobicContact CB-CE2 4.23Å; R326-F330 HydrophobicContact CG-CE2 4.39Å; R326-F330 WeakPolarHBondContact O-CD2 3.36Å; R326-F330 PolarHBondContact O-N 2.71Å; F330-L334 HydrophobicContact CB-CB 4.06Å; F330-W339 HydrophobicContact CD1-CH2 4.27Å; F330-W339 AromaticContact CE1-CH2 3.48Å; F330-W339 HydrophobicContact CE1-CH2 3.48Å; F330-W339 VanDerWaalsContact CE1-CH2 3.48Å; F330-W339 HydrophobicContact CE1-CZ2 4.22Å; F330-W339 HydrophobicContact CE1-CZ3 4.37Å; F330-W339 HydrophobicContact CE2-CH2 4.5Å; F330-W339 AromaticContact CZ-CH2 3.62Å; F330-W339 HydrophobicContact CZ-CH2 3.62Å; F330-W339 HydrophobicContact CZ-CZ3 4.05Å; F330-V340 HydrophobicContact CD2-CG1 4.16Å; F330-V340 HydrophobicContact CD2-CG2 4.27Å; F330-V340 HydrophobicContact CE2-CG1 4.48Å; F330-V340 HydrophobicContact CE2-CG2 4.32Å; F330-V340 HydrophobicContact CG-CG2 4.43Å
331G86.1Confident88.2Confident29 Ų2974.5 Ų74.530%0.29937%0.368SS..Hα-helixtrans69.1174.6-172.400000112.8Y327 D333 W335Y327-G331 WeakPolarHBondContact O-CA 3.04Å; Y327-G331 PolarHBondContact O-N 3.01Å; G331-D333 VanDerWaalsContact C-N 3.29Å; G331-D333 PolarHBondContact O-N 2.9Å; G331-W335 VanDerWaalsContact O-CB 3.31Å; G331-W335 WeakPolarHBondContact O-CB 3.28Å; G331-W335 PolarHBondContact O-N 3.09Å; G331-W335 VanDerWaalsContact O-N 3.14Å
332S83.8Confident87.9Confident61 Ų6176.3 Ų76.343%0.42737%0.369SS..Hα-helixtrans-61.1-34.8-174.8-169.30000113.4H336S332-H336 PolarHBondContact O-CD2 3.21Å; S332-H336 VanDerWaalsContact O-CD2 3.3Å
333D82.2Confident87.6Confident153 Ų15376 Ų7682%0.81838%0.375SS*.Hα-helixtrans-72.2-42.3-170.8-60.8-34.3000112.2G331G331-D333 VanDerWaalsContact C-N 3.29Å; G331-D333 PolarHBondContact O-N 2.9Å
334L87Confident87.5Confident96 Ų9676 Ų7650%0.50338%0.375SS..Hα-helixtrans-87.7-18.6179.9-68170.8000112.7F330 H336 S337F330-L334 HydrophobicContact CB-CB 4.06Å; L334-H336 VanDerWaalsContact C-N 3.25Å; L334-H336 PolarHBondContact O-N 3.21Å; L334-S337 VanDerWaalsContact O-CB 3.3Å; L334-S337 WeakPolarHBondContact O-CB 3.44Å; L334-S337 PolarHBondContact O-N 3.35Å; L334-S337 VanDerWaalsContact O-N 3.07Å; L334-S337 PolarHBondContact O-OG 3.19Å
335W89.8Confident87.5Confident1 Ų175.9 Ų75.90%0.00437%0.373CS..Hα-helixtrans-57.5-38.4179.3-177.5-113.2000112.8A288 I291 A323 R326 Y327 G331 S337 V340 Q341 V344A288-W335 WeakPolarHBondContact O-CZ2 2.99Å; A288-W335 PolarHBondContact O-NE1 3.28Å; I291-W335 HydrophobicContact CB-CZ2 4.22Å; I291-W335 HydrophobicContact CD1-CZ2 4.22Å; I291-W335 HydrophobicContact CG1-CZ2 4.25Å; A323-W335 HydrophobicContact CB-CH2 4.47Å; R326-W335 HydrophobicContact CB-CZ3 3.94Å; Y327-W335 HydrophobicContact CD2-CB 3.96Å; Y327-W335 AromaticContact CD2-CD1 3.8Å; Y327-W335 AromaticContact CD2-CD2 3.56Å; Y327-W335 HydrophobicContact CD2-CD2 3.56Å; Y327-W335 AromaticContact CD2-CE2 3.87Å; Y327-W335 HydrophobicContact CD2-CE3 4.02Å; Y327-W335 AromaticContact CD2-CG 3.51Å; Y327-W335 HydrophobicContact CD2-CG 3.51Å; Y327-W335 AromaticContact CD2-NE1 4Å; Y327-W335 HydrophobicContact CE2-CB 4.13Å; Y327-W335 AromaticContact CE2-CD1 3.98Å; Y327-W335 HydrophobicContact CE2-CD2 4.43Å; Y327-W335 AromaticContact CE2-CG 3.92Å; Y327-W335 HydrophobicContact CE2-CG 3.92Å; Y327-W335 HydrophobicContact CG-CD2 4.41Å; G331-W335 VanDerWaalsContact O-CB 3.31Å; G331-W335 WeakPolarHBondContact O-CB 3.28Å; G331-W335 PolarHBondContact O-N 3.09Å; G331-W335 VanDerWaalsContact O-N 3.14Å; W335-S337 PolarHBondContact O-N 2.86Å; W335-V340 HydrophobicContact CD2-CG1 4.31Å; W335-V340 HydrophobicContact CE3-CG1 3.58Å; W335-V340 HydrophobicContact CZ3-CG1 3.84Å; W335-Q341 VanDerWaalsContact CD1-NE2 3.34Å; W335-Q341 WeakPolarHBondContact O-CG 3.16Å; W335-Q341 PolarHBondContact O-NE2 3.36Å; W335-V344 HydrophobicContact CH2-CB 4.27Å; W335-V344 HydrophobicContact CH2-CG1 3.9Å; W335-V344 HydrophobicContact CH2-CG2 3.59Å; W335-V344 HydrophobicContact CZ2-CG1 4.11Å; W335-V344 HydrophobicContact CZ2-CG2 4.39Å; W335-V344 HydrophobicContact CZ3-CG2 3.92Å
336H86.9Confident87.3Confident113 Ų11374.7 Ų74.752%0.52337%0.369SS..THydrogen-bonded Turntrans-80.13.8-179.2-65-67.5000114S332 L334S332-H336 PolarHBondContact O-CD2 3.21Å; S332-H336 VanDerWaalsContact O-CD2 3.3Å; L334-H336 VanDerWaalsContact C-N 3.25Å; L334-H336 PolarHBondContact O-N 3.21Å
337S87.5Confident87.3Confident27 Ų2774.8 Ų74.819%0.18937%0.372CS..SBendtrans-70141.717466.60000111.3L334 W335 W339 V340 Q341L334-S337 VanDerWaalsContact O-CB 3.3Å; L334-S337 WeakPolarHBondContact O-CB 3.44Å; L334-S337 PolarHBondContact O-N 3.35Å; L334-S337 VanDerWaalsContact O-N 3.07Å; L334-S337 PolarHBondContact O-OG 3.19Å; W335-S337 PolarHBondContact O-N 2.86Å; S337-W339 VanDerWaalsContact C-N 3.31Å; S337-W339 PolarHBondContact O-N 3.45Å; S337-W339 PolarHBondContact OG-NE1 2.81Å; S337-W339 VanDerWaalsContact OG-NE1 3.1Å; S337-V340 PolarHBondContact O-N 2.75Å; S337-V340 VanDerWaalsContact O-N 3.14Å; S337-V340 VanDerWaalsContact OG-CG2 3.29Å; S337-V340 WeakPolarHBondContact OG-CG2 3.15Å; S337-Q341 PolarHBondContact O-N 3.38Å
338T84.9Confident87.4Confident98 Ų9872.9 Ų72.960%0.60136%0.364SS*.Hα-helixtrans-54.6-44.7-173-46.70000112.5V340 Q341 E342T338-V340 PolarHBondContact O-N 3.2Å; T338-Q341 PolarHBondContact O-N 3.03Å; T338-E342 HydrophobicContact CG2-CG 4.27Å; T338-E342 WeakPolarHBondContact CG2-OE1 3.4Å; T338-E342 WeakPolarHBondContact O-CB 3.44Å; T338-E342 VanDerWaalsContact O-CG 3.27Å; T338-E342 WeakPolarHBondContact O-CG 3.45Å; T338-E342 PolarHBondContact O-N 3.16Å
339W84.2Confident87.3Confident140 Ų14068.5 Ų68.553%0.5335%0.345SS..Hα-helixtrans-67.7-33.8-177.667.4-89.1000113.3F330 S337 T343F330-W339 HydrophobicContact CD1-CH2 4.27Å; F330-W339 AromaticContact CE1-CH2 3.48Å; F330-W339 HydrophobicContact CE1-CH2 3.48Å; F330-W339 VanDerWaalsContact CE1-CH2 3.48Å; F330-W339 HydrophobicContact CE1-CZ2 4.22Å; F330-W339 HydrophobicContact CE1-CZ3 4.37Å; F330-W339 HydrophobicContact CE2-CH2 4.5Å; F330-W339 AromaticContact CZ-CH2 3.62Å; F330-W339 HydrophobicContact CZ-CH2 3.62Å; F330-W339 HydrophobicContact CZ-CZ3 4.05Å; S337-W339 VanDerWaalsContact C-N 3.31Å; S337-W339 PolarHBondContact O-N 3.45Å; S337-W339 PolarHBondContact OG-NE1 2.81Å; S337-W339 VanDerWaalsContact OG-NE1 3.1Å; W339-T343 PolarHBondContact O-N 3.34Å; W339-T343 PolarHBondContact O-OG1 2.84Å
340V85.3Confident87.4Confident3 Ų365.4 Ų65.42%0.01834%0.337CS..Hα-helixtrans-71-48.7174.7176.60000109.8F330 W335 S337 T338 E342 T343 V344F330-V340 HydrophobicContact CD2-CG1 4.16Å; F330-V340 HydrophobicContact CD2-CG2 4.27Å; F330-V340 HydrophobicContact CE2-CG1 4.48Å; F330-V340 HydrophobicContact CE2-CG2 4.32Å; F330-V340 HydrophobicContact CG-CG2 4.43Å; W335-V340 HydrophobicContact CD2-CG1 4.31Å; W335-V340 HydrophobicContact CE3-CG1 3.58Å; W335-V340 HydrophobicContact CZ3-CG1 3.84Å; S337-V340 PolarHBondContact O-N 2.75Å; S337-V340 VanDerWaalsContact O-N 3.14Å; S337-V340 VanDerWaalsContact OG-CG2 3.29Å; S337-V340 WeakPolarHBondContact OG-CG2 3.15Å; T338-V340 PolarHBondContact O-N 3.2Å; V340-E342 PolarHBondContact O-N 2.92Å; V340-T343 PolarHBondContact O-N 2.86Å; V340-V344 HydrophobicContact CG1-CG2 4.38Å; V340-V344 VanDerWaalsContact O-CG2 3.3Å; V340-V344 WeakPolarHBondContact O-CG2 3.45Å; V340-V344 PolarHBondContact O-N 3.3Å
341Q87.1Confident87.6Confident24 Ų2466.4 Ų66.411%0.11234%0.343CS..Hα-helixtrans-59.8-46.4179.6-73.3-62.9-55.800111.9W335 S337 T338 T343 V344 M345W335-Q341 VanDerWaalsContact CD1-NE2 3.34Å; W335-Q341 WeakPolarHBondContact O-CG 3.16Å; W335-Q341 PolarHBondContact O-NE2 3.36Å; S337-Q341 PolarHBondContact O-N 3.38Å; T338-Q341 PolarHBondContact O-N 3.03Å; Q341-T343 VanDerWaalsContact C-N 3.35Å; Q341-T343 PolarHBondContact O-N 2.96Å; Q341-V344 PolarHBondContact O-N 3.07Å; Q341-M345 WeakPolarHBondContact O-CB 3.47Å; Q341-M345 PolarHBondContact O-N 3.38Å
342E86.1Confident87.9Confident111 Ų11165 Ų6552%0.51933%0.328SS..Hα-helixtrans-59.1-45.2177.9-77174.5174.500111.7T338 V340 V344 M345 M346T338-E342 HydrophobicContact CG2-CG 4.27Å; T338-E342 WeakPolarHBondContact CG2-OE1 3.4Å; T338-E342 WeakPolarHBondContact O-CB 3.44Å; T338-E342 VanDerWaalsContact O-CG 3.27Å; T338-E342 WeakPolarHBondContact O-CG 3.45Å; T338-E342 PolarHBondContact O-N 3.16Å; V340-E342 PolarHBondContact O-N 2.92Å; E342-V344 VanDerWaalsContact C-N 3.34Å; E342-V344 PolarHBondContact O-N 3.14Å; E342-M345 PolarHBondContact O-N 3.18Å; E342-M346 VanDerWaalsContact O-CG 3.27Å; E342-M346 WeakPolarHBondContact O-CG 3.27Å; E342-M346 PolarHBondContact O-N 2.86Å
343T87.5Confident88.2Confident67 Ų6764 Ų6441%0.41132%0.32SS..Hα-helixtrans-62.8-41.9179.8-54.10000111.6W322 W339 V340 Q341W322-T343 HydrophobicContact CH2-CG2 4.26Å; W339-T343 PolarHBondContact O-N 3.34Å; W339-T343 PolarHBondContact O-OG1 2.84Å; V340-T343 PolarHBondContact O-N 2.86Å; Q341-T343 VanDerWaalsContact C-N 3.35Å; Q341-T343 PolarHBondContact O-N 2.96Å
344V89.6Confident88.5Confident1 Ų163 Ų631%0.00631%0.311CS..Hα-helixtrans-73-42.6-179.3172.90000111.1A288 W322 A323 W335 V340 Q341 E342 M346 K347 Y348A288-V344 HydrophobicContact CB-CG1 3.98Å; W322-V344 HydrophobicContact CH2-CG2 4.26Å; W322-V344 HydrophobicContact CZ3-CG2 4.06Å; A323-V344 HydrophobicContact CB-CG1 4.1Å; W335-V344 HydrophobicContact CH2-CB 4.27Å; W335-V344 HydrophobicContact CH2-CG1 3.9Å; W335-V344 HydrophobicContact CH2-CG2 3.59Å; W335-V344 HydrophobicContact CZ2-CG1 4.11Å; W335-V344 HydrophobicContact CZ2-CG2 4.39Å; W335-V344 HydrophobicContact CZ3-CG2 3.92Å; V340-V344 HydrophobicContact CG1-CG2 4.38Å; V340-V344 VanDerWaalsContact O-CG2 3.3Å; V340-V344 WeakPolarHBondContact O-CG2 3.45Å; V340-V344 PolarHBondContact O-N 3.3Å; Q341-V344 PolarHBondContact O-N 3.07Å; E342-V344 VanDerWaalsContact C-N 3.34Å; E342-V344 PolarHBondContact O-N 3.14Å; V344-M346 PolarHBondContact O-N 3.3Å; V344-K347 PolarHBondContact O-N 3.25Å; V344-Y348 HydrophobicContact CG1-CD2 3.72Å; V344-Y348 HydrophobicContact CG1-CE2 3.38Å; V344-Y348 WeakPolarHBondContact O-CD2 3.26Å; V344-Y348 PolarHBondContact O-N 2.86Å
345M90.4Very high88.8Confident51 Ų5158.7 Ų58.725%0.25129%0.288SS..Hα-helixtrans-59.9-44.5177.7-176.1-176.375.100111.6A284 E285 Q341 E342 K347 Y348 L349A284-M345 HydrophobicContact CB-CG 3.75Å; E285-M345 HydrophobicContact CB-SD 4Å; Q341-M345 WeakPolarHBondContact O-CB 3.47Å; Q341-M345 PolarHBondContact O-N 3.38Å; E342-M345 PolarHBondContact O-N 3.18Å; M345-K347 PolarHBondContact O-N 3.03Å; M345-Y348 PolarHBondContact O-N 2.74Å; M345-L349 WeakPolarHBondContact O-CB 3.49Å; M345-L349 PolarHBondContact O-N 3.16Å
346M87.2Confident88.9Confident100 Ų10058.7 Ų58.749%0.49329%0.288SS..Hα-helixtrans-59.3-37.6177.1-72.6-60-64.300112.1E342 V344 L349 E350E342-M346 VanDerWaalsContact O-CG 3.27Å; E342-M346 WeakPolarHBondContact O-CG 3.27Å; E342-M346 PolarHBondContact O-N 2.86Å; V344-M346 PolarHBondContact O-N 3.3Å; M346-L349 PolarHBondContact O-N 3.06Å; M346-E350 WeakPolarHBondContact O-CG 3.39Å; M346-E350 PolarHBondContact O-N 2.81Å
347K90.2Very high89Confident86 Ų8657.3 Ų57.337%0.37428%0.284SS..Hα-helixtrans-69.1-39.8175.5-74.9-58.8-175.6-171.30113.6C319 W322 V344 M345 E350C319-K347 HydrophobicContact CB-CB 4.25Å; W322-K347 HydrophobicContact CH2-CB 4.46Å; W322-K347 HydrophobicContact CH2-CG 3.89Å; W322-K347 HydrophobicContact CZ3-CB 4.01Å; W322-K347 HydrophobicContact CZ3-CG 3.9Å; V344-K347 PolarHBondContact O-N 3.25Å; M345-K347 PolarHBondContact O-N 3.03Å; K347-E350 WeakPolarHBondContact CD-OE2 3.46Å; K347-E350 IonicContact NZ-OE1 3.31Å; K347-E350 IonicContact NZ-OE2 3.86Å; K347-E350 PolarHBondContact NZ-OE2 2.86Å
348Y92.4Very high89.1Confident1 Ų164.2 Ų64.20%0.00431%0.307CS..Hα-helixtrans-64.7-41.2172.1-77-55.6000112.2I287 A288 I291 L317 C319 Y320 A323 V344 M345 E350 E351 I352I287-Y348 HydrophobicContact CG2-CD1 4.14Å; I287-Y348 HydrophobicContact CG2-CD2 4.15Å; I287-Y348 HydrophobicContact CG2-CE1 3.82Å; I287-Y348 HydrophobicContact CG2-CE2 3.8Å; I287-Y348 HydrophobicContact CG2-CG 4.31Å; A288-Y348 HydrophobicContact CB-CD2 4.17Å; A288-Y348 HydrophobicContact CB-CE2 4.25Å; I291-Y348 VanDerWaalsContact CD1-OH 3.23Å; I291-Y348 WeakPolarHBondContact CD1-OH 3.39Å; L317-Y348 HydrophobicContact CD1-CD1 3.93Å; L317-Y348 HydrophobicContact CD1-CE1 3.96Å; C319-Y348 WeakPolarHBondContact SG-CD1 3.45Å; Y320-Y348 HydrophobicContact CD2-CE1 4.48Å; Y320-Y348 WeakPolarHBondContact CD2-OH 3.36Å; A323-Y348 HydrophobicContact CB-CE2 4.23Å; A323-Y348 VanDerWaalsContact CB-OH 3.23Å; A323-Y348 WeakPolarHBondContact CB-OH 3.37Å; V344-Y348 HydrophobicContact CG1-CD2 3.72Å; V344-Y348 HydrophobicContact CG1-CE2 3.38Å; V344-Y348 WeakPolarHBondContact O-CD2 3.26Å; V344-Y348 PolarHBondContact O-N 2.86Å; M345-Y348 PolarHBondContact O-N 2.74Å; Y348-E350 VanDerWaalsContact C-N 3.27Å; Y348-E350 PolarHBondContact O-N 3.45Å; Y348-E351 PolarHBondContact O-N 3.37Å; Y348-E351 VanDerWaalsContact O-N 3.07Å; Y348-I352 WeakPolarHBondContact O-CB 3.45Å; Y348-I352 WeakPolarHBondContact O-CG1 3.18Å; Y348-I352 PolarHBondContact O-N 3.35Å
349L89.6Confident89.5Confident48 Ų4864.7 Ų64.725%0.25130%0.298SS..Hα-helixtrans-60.9-35.9-178.8-166.374.5000112.4E281 A284 M345 M346 E351 P353E281-L349 HydrophobicContact CB-CD1 4.33Å; E281-L349 HydrophobicContact CG-CD1 3.87Å; A284-L349 HydrophobicContact CB-CB 4.41Å; A284-L349 HydrophobicContact CB-CD1 4.33Å; M345-L349 WeakPolarHBondContact O-CB 3.49Å; M345-L349 PolarHBondContact O-N 3.16Å; M346-L349 PolarHBondContact O-N 3.06Å; L349-E351 VanDerWaalsContact C-N 3.29Å; L349-E351 PolarHBondContact O-N 3.21Å; L349-P353 WeakPolarHBondContact O-CD 3.42Å
350E89.4Confident89.8Confident124 Ų12459.1 Ų59.158%0.57928%0.279SS*.Hα-helixtrans-61.2-34.5175-74.6171.2-176.300112.5M346 K347 Y348M346-E350 WeakPolarHBondContact O-CG 3.39Å; M346-E350 PolarHBondContact O-N 2.81Å; K347-E350 WeakPolarHBondContact CD-OE2 3.46Å; K347-E350 IonicContact NZ-OE1 3.31Å; K347-E350 IonicContact NZ-OE2 3.86Å; K347-E350 PolarHBondContact NZ-OE2 2.86Å; Y348-E350 VanDerWaalsContact C-N 3.27Å; Y348-E350 PolarHBondContact O-N 3.45Å
351E93Very high90Very high60 Ų6062.2 Ų62.228%0.2830%0.295SS..Hα-helixtrans-103.4-27.8-172.1-66.5-176.1-166.300114.4L317 G318 C319 Y348 L349 P353 E354 W355L317-E351 HydrophobicContact CD2-CB 3.76Å; G318-E351 WeakPolarHBondContact CA-OE2 3.42Å; G318-E351 PolarHBondContact N-OE2 2.93Å; C319-E351 VanDerWaalsContact CB-OE1 3.3Å; C319-E351 WeakPolarHBondContact CB-OE1 3.39Å; C319-E351 PolarHBondContact N-OE1 3.38Å; C319-E351 PolarHBondContact N-OE2 3.09Å; C319-E351 VanDerWaalsContact SG-CD 3.51Å; C319-E351 PolarHBondContact SG-OE2 2.79Å; Y348-E351 PolarHBondContact O-N 3.37Å; Y348-E351 VanDerWaalsContact O-N 3.07Å; L349-E351 VanDerWaalsContact C-N 3.29Å; L349-E351 PolarHBondContact O-N 3.21Å; E351-P353 VanDerWaalsContact C-CD 3.49Å; E351-E354 PolarHBondContact O-N 2.95Å; E351-W355 WeakPolarHBondContact O-CB 3.3Å; E351-W355 PolarHBondContact O-N 3.18Å
352I92.2Very high89.9Confident0 Ų062.9 Ų62.90%030%0.3CS..Hα-helixtrans-52.8-45.2-173.1-85166.3000114.2Y280 L283 A284 I287 L317 Y348 E354 W355 L356Y280-I352 HydrophobicContact CD1-CG2 3.5Å; Y280-I352 HydrophobicContact CE1-CG2 4.32Å; Y280-I352 HydrophobicContact CG-CG2 4.06Å; L283-I352 HydrophobicContact CD2-CG2 4.03Å; L283-I352 HydrophobicContact CG-CD1 4.3Å; A284-I352 VanDerWaalsContact CA-CD1 3.45Å; A284-I352 HydrophobicContact CB-CD1 3.59Å; I287-I352 HydrophobicContact CD1-CD1 4.08Å; I287-I352 HydrophobicContact CD1-CG1 4.43Å; L317-I352 HydrophobicContact CD2-CG1 4.43Å; Y348-I352 WeakPolarHBondContact O-CB 3.45Å; Y348-I352 WeakPolarHBondContact O-CG1 3.18Å; Y348-I352 PolarHBondContact O-N 3.35Å; I352-E354 PolarHBondContact O-N 3.43Å; I352-W355 HydrophobicContact CB-CE3 4.49Å; I352-W355 HydrophobicContact CG1-CE3 4.03Å; I352-W355 HydrophobicContact CG1-CZ3 4.34Å; I352-W355 PolarHBondContact O-N 3.31Å; I352-L356 HydrophobicContact CG2-CD1 3.8Å; I352-L356 HydrophobicContact CG2-CG 4.37Å; I352-L356 WeakPolarHBondContact O-CG 3.38Å; I352-L356 PolarHBondContact O-N 3.12Å
353P89.5Confident89.5Confident40 Ų4057.8 Ų57.826%0.2628%0.276SS..Hα-helixtrans-59.6-46.7-177.5-2635.4000112.7Y280 L349 E351 I357Y280-P353 HydrophobicContact CD2-CG 4.06Å; Y280-P353 HydrophobicContact CE2-CB 4.32Å; Y280-P353 HydrophobicContact CE2-CG 4.19Å; Y280-P353 HydrophobicContact CG-CG 4.27Å; L349-P353 WeakPolarHBondContact O-CD 3.42Å; E351-P353 VanDerWaalsContact C-CD 3.49Å; P353-I357 WeakPolarHBondContact O-CD1 3.3Å; P353-I357 VanDerWaalsContact O-CG1 3.27Å; P353-I357 WeakPolarHBondContact O-CG1 3.3Å; P353-I357 PolarHBondContact O-N 2.95Å
354E89Confident88.4Confident132 Ų13263.1 Ų63.162%0.61729%0.294SS*.Hα-helixtrans-70.5-41.5177.6-67.3-171.7174.400111.2E351 I352 L356 I357 Y358E351-E354 PolarHBondContact O-N 2.95Å; I352-E354 PolarHBondContact O-N 3.43Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.25Å; E354-I357 PolarHBondContact O-N 2.88Å; E354-I357 VanDerWaalsContact O-N 3.11Å; E354-Y358 HydrophobicContact CB-CD2 4.29Å; E354-Y358 HydrophobicContact CB-CE2 4.38Å; E354-Y358 WeakPolarHBondContact O-CD2 3.44Å; E354-Y358 PolarHBondContact O-N 3.42Å
355W93.5Very high87Confident6 Ų664.3 Ų64.32%0.02330%0.302CS..Hα-helixtrans-53.9-48.4177.4168.165.7000112L283 I287 C312 D313 V314 L317 E351 I352 I357 Y358 Y359L283-W355 HydrophobicContact CD2-CZ3 4.01Å; I287-W355 HydrophobicContact CD1-CH2 4.03Å; I287-W355 HydrophobicContact CD1-CZ3 3.87Å; C312-W355 HydrophobicContact CB-CH2 3.86Å; C312-W355 HydrophobicContact CB-CZ2 3.51Å; C312-W355 WeakPolarHBondContact SG-CZ2 3.49Å; C312-W355 PolarHBondContact SG-NE1 2.84Å; D313-W355 PolarHBondContact O-NE1 3.22Å; V314-W355 HydrophobicContact CG1-CZ2 4.27Å; L317-W355 HydrophobicContact CD1-CD2 3.95Å; L317-W355 HydrophobicContact CD1-CE3 4.15Å; L317-W355 HydrophobicContact CD1-CG 4.44Å; L317-W355 HydrophobicContact CD1-CH2 4.37Å; L317-W355 HydrophobicContact CD1-CZ2 4.17Å; L317-W355 HydrophobicContact CD1-CZ3 4.35Å; L317-W355 HydrophobicContact CD2-CB 3.55Å; L317-W355 HydrophobicContact CD2-CD2 3.75Å; L317-W355 HydrophobicContact CD2-CE3 4.12Å; L317-W355 HydrophobicContact CD2-CG 3.5Å; L317-W355 VanDerWaalsContact CD2-CG 3.5Å; L317-W355 HydrophobicContact CG-CB 4.27Å; L317-W355 HydrophobicContact CG-CD2 3.72Å; L317-W355 HydrophobicContact CG-CE3 4.31Å; L317-W355 HydrophobicContact CG-CG 3.67Å; E351-W355 WeakPolarHBondContact O-CB 3.3Å; E351-W355 PolarHBondContact O-N 3.18Å; I352-W355 HydrophobicContact CB-CE3 4.49Å; I352-W355 HydrophobicContact CG1-CE3 4.03Å; I352-W355 HydrophobicContact CG1-CZ3 4.34Å; I352-W355 PolarHBondContact O-N 3.31Å; W355-I357 PolarHBondContact O-N 2.82Å; W355-Y358 PolarHBondContact O-N 3.49Å; W355-Y359 AromaticContact CD1-CD2 3.92Å; W355-Y359 WeakPolarHBondContact O-CB 3.48Å; W355-Y359 WeakPolarHBondContact O-CD2 3.23Å; W355-Y359 PolarHBondContact O-N 2.91Å
356L92.1Very high85.4Confident0 Ų067.5 Ų67.50%033%0.329CS..Hα-helixtrans-67.8-34.5179-67.6171.6000112.8Y280 L283 F298 C312 I352 E354 T360 W371Y280-L356 HydrophobicContact CD1-CD1 4.05Å; Y280-L356 HydrophobicContact CE1-CD1 3.81Å; L283-L356 HydrophobicContact CD2-CD1 3.78Å; L283-L356 HydrophobicContact CD2-CD2 4.35Å; L283-L356 HydrophobicContact CD2-CG 4.49Å; F298-L356 HydrophobicContact CE2-CD2 4.03Å; F298-L356 HydrophobicContact CZ-CD2 3.79Å; C312-L356 HydrophobicContact CB-CD2 4.07Å; I352-L356 HydrophobicContact CG2-CD1 3.8Å; I352-L356 HydrophobicContact CG2-CG 4.37Å; I352-L356 WeakPolarHBondContact O-CG 3.38Å; I352-L356 PolarHBondContact O-N 3.12Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.25Å; L356-T360 WeakPolarHBondContact CA-OG1 3.29Å; L356-T360 WeakPolarHBondContact O-CB 3.48Å; L356-T360 PolarHBondContact O-N 2.87Å; L356-T360 PolarHBondContact O-OG1 3.43Å; L356-W371 HydrophobicContact CB-CD2 4.16Å; L356-W371 HydrophobicContact CB-CG 4.36Å; L356-W371 HydrophobicContact CB-CZ2 4.03Å; L356-W371 HydrophobicContact CD1-CH2 4.4Å; L356-W371 HydrophobicContact CD1-CZ2 3.66Å; L356-W371 HydrophobicContact CD2-CH2 4.36Å; L356-W371 HydrophobicContact CD2-CZ2 4.28Å; L356-W371 HydrophobicContact CG-CZ2 4.21Å
357I88.8Confident84.5Confident85 Ų8565.2 Ų65.244%0.43632%0.315SS..Hα-helixtrans-66.4-44.1179.1-71.2166.2000111.2P353 E354 W355P353-I357 WeakPolarHBondContact O-CD1 3.3Å; P353-I357 VanDerWaalsContact O-CG1 3.27Å; P353-I357 WeakPolarHBondContact O-CG1 3.3Å; P353-I357 PolarHBondContact O-N 2.95Å; E354-I357 PolarHBondContact O-N 2.88Å; E354-I357 VanDerWaalsContact O-N 3.11Å; W355-I357 PolarHBondContact O-N 2.82Å
358Y89.4Confident83.9Confident172 Ų17261.7 Ų61.768%0.67530%0.3SS*.Hα-helixtrans-93.5-30.6-170.2-68.4-65.8000114.4E354 W355E354-Y358 HydrophobicContact CB-CD2 4.29Å; E354-Y358 HydrophobicContact CB-CE2 4.38Å; E354-Y358 WeakPolarHBondContact O-CD2 3.44Å; E354-Y358 PolarHBondContact O-N 3.42Å; W355-Y358 PolarHBondContact O-N 3.49Å
359Y92.3Very high83.3Confident108 Ų10870 Ų7042%0.42434%0.339SS..Hα-helixtrans-113.70.1-170.7-59.2-79.4000114C312 H316 W355 I361C312-Y359 PolarHBondContact SG-O 3.45Å; C312-Y359 VanDerWaalsContact SG-O 3.36Å; H316-Y359 HydrophobicContact CB-CD1 3.61Å; H316-Y359 HydrophobicContact CB-CD2 3.75Å; H316-Y359 HydrophobicContact CB-CE1 3.98Å; H316-Y359 HydrophobicContact CB-CE2 4.1Å; H316-Y359 HydrophobicContact CB-CG 3.48Å; H316-Y359 VanDerWaalsContact CB-CG 3.48Å; H316-Y359 AromaticContact CD2-CD1 3.68Å; H316-Y359 AromaticContact CD2-CG 3.94Å; H316-Y359 AromaticContact CG-CD1 3.33Å; H316-Y359 AromaticContact CG-CE1 3.83Å; H316-Y359 AromaticContact CG-CG 3.66Å; H316-Y359 AromaticContact ND1-CD1 3.57Å; H316-Y359 AromaticContact ND1-CE1 3.69Å; W355-Y359 AromaticContact CD1-CD2 3.92Å; W355-Y359 WeakPolarHBondContact O-CB 3.48Å; W355-Y359 WeakPolarHBondContact O-CD2 3.23Å; W355-Y359 PolarHBondContact O-N 2.91Å; Y359-I361 PolarHBondContact O-N 3.17Å
360T91.1Very high83.2Confident22 Ų2270.2 Ų70.214%0.13534%0.344CS..PPolyproline II helixtrans-71.7129174.9-62.30000111.1A310 Y311 L356 L362 W371A310-T360 HydrophobicContact CB-CG2 3.67Å; Y311-T360 WeakPolarHBondContact O-CA 3.39Å; L356-T360 WeakPolarHBondContact CA-OG1 3.29Å; L356-T360 WeakPolarHBondContact O-CB 3.48Å; L356-T360 PolarHBondContact O-N 2.87Å; L356-T360 PolarHBondContact O-OG1 3.43Å; T360-L362 HydrophobicContact CG2-CD2 4.41Å; T360-W371 HydrophobicContact CG2-CE3 3.6Å; T360-W371 HydrophobicContact CG2-CZ3 3.94Å
361I89Confident83.1Confident69 Ų6964.7 Ų64.735%0.35432%0.318SS..EExtended strand (participates in β ladder)trans-98.9117.8172.3-63.5175.3000108.2A310 Y311 Y359A310-I361 CarbonylContact C-O 3.39Å; A310-I361 VanDerWaalsContact CA-O 3.32Å; A310-I361 WeakPolarHBondContact CA-O 3.22Å; Y311-I361 HydrophobicContact CD1-CB 4.23Å; Y311-I361 HydrophobicContact CD1-CG2 4.34Å; Y311-I361 HydrophobicContact CD2-CB 4.36Å; Y311-I361 HydrophobicContact CE1-CB 3.79Å; Y311-I361 HydrophobicContact CE1-CG2 3.6Å; Y311-I361 HydrophobicContact CE2-CB 3.95Å; Y311-I361 HydrophobicContact CE2-CD1 3.65Å; Y311-I361 HydrophobicContact CE2-CG1 4.2Å; Y311-I361 HydrophobicContact CG-CB 4.48Å; Y311-I361 PolarHBondContact N-O 3.26Å; Y311-I361 PolarHBondContact O-N 3.22Å; Y311-I361 WeakPolarHBondContact OH-CD1 3.4Å; Y359-I361 PolarHBondContact O-N 3.17Å
362L86.5Confident82.7Confident38 Ų3864.6 Ų64.620%0.19932%0.324CS..EExtended strand (participates in β ladder)trans-86.5142.5177.3-63.7167.1000110.2A310 T360 F368 F374A310-L362 HydrophobicContact CB-CD2 3.82Å; T360-L362 HydrophobicContact CG2-CD2 4.41Å; L362-F368 HydrophobicContact CD1-CB 4.24Å; L362-F374 HydrophobicContact CD2-CB 3.75Å; L362-F374 HydrophobicContact CD2-CD2 3.86Å; L362-F374 HydrophobicContact CD2-CG 3.81Å
363A76.8Confident82.3Confident4 Ų467.2 Ų67.23%0.03334%0.336CS..PPolyproline II helixtrans-54.6142.8164.200000109.6A309 S365 L424A309-A363 VanDerWaalsContact O-CB 3.24Å; A309-A363 WeakPolarHBondContact O-CB 3.26Å; A309-A363 PolarHBondContact O-N 3.25Å; A363-S365 PolarHBondContact O-N 2.78Å; A363-L424 HydrophobicContact CB-CB 3.85Å; A363-L424 HydrophobicContact CB-CD1 3.82Å
364K64.8Low82.2Confident179 Ų17965.3 Ų65.378%0.77832%0.324SS*.SBendtrans-77.375.7-170.6-165.7177.3-177.1176.50109.2D425K364-D425 WeakPolarHBondContact CA-OD2 3.29Å; K364-D425 WeakPolarHBondContact CB-OD2 3.41Å; K364-D425 PolarHBondContact N-OD2 3.42Å
365S59Low82Confident26 Ų2659.9 Ų59.918%0.18230%0.299CS..  trans-109.4145.5174.577.40000110.1A363 R367 F368A363-S365 PolarHBondContact O-N 2.78Å; S365-R367 PolarHBondContact O-N 2.8Å; S365-R367 WeakPolarHBondContact OG-CB 3.37Å; S365-R367 PolarHBondContact OG-N 2.75Å; S365-F368 WeakPolarHBondContact OG-CD2 3.23Å
366S58.5Low81.4Confident117 Ų11766.7 Ų66.782%0.81833%0.329SS*.THydrogen-bonded Turntrans-67.93.2170.454.70000113.3
367R66.9Low80.9Confident52 Ų5268.1 Ų68.120%0.19634%0.336CS..THydrogen-bonded Turntrans-91.2-37.1-168-169.5176-177.9172.43.3113D308 S365D308-R367 IonicContact OD1-NH1 3.1Å; D308-R367 PolarHBondContact OD1-NH1 3.14Å; D308-R367 IonicContact OD2-NH1 2.74Å; D308-R367 PolarHBondContact OD2-NH1 3.42Å; S365-R367 PolarHBondContact O-N 2.8Å; S365-R367 WeakPolarHBondContact OG-CB 3.37Å; S365-R367 PolarHBondContact OG-N 2.75Å
368F78.1Confident80.7Confident13 Ų1364.4 Ų64.46%0.05732%0.317CS..  trans-124.5130.6-176-45.7-78.1000110.3I300 D308 L362 S365 E373 F374 I377I300-F368 HydrophobicContact CD1-CE1 4.32Å; I300-F368 HydrophobicContact CD1-CE2 4.47Å; I300-F368 HydrophobicContact CD1-CZ 3.76Å; D308-F368 HydrophobicContact CB-CE2 4.41Å; D308-F368 VanDerWaalsContact OD1-CE2 3.3Å; D308-F368 WeakPolarHBondContact OD1-CE2 3.49Å; L362-F368 HydrophobicContact CD1-CB 4.24Å; S365-F368 WeakPolarHBondContact OG-CD2 3.23Å; F368-E373 WeakPolarHBondContact CA-OE2 3.3Å; F368-E373 HydrophobicContact CD1-CG 4.29Å; F368-F374 HydrophobicContact CB-CB 4.44Å; F368-F374 HydrophobicContact CD1-CB 4.17Å; F368-F374 HydrophobicContact CD1-CD2 4.39Å; F368-F374 HydrophobicContact CD2-CD2 4.05Å; F368-F374 HydrophobicContact CE1-CD2 4.36Å; F368-F374 HydrophobicContact CE2-CD2 4.07Å; F368-F374 HydrophobicContact CG-CB 4.28Å; F368-F374 HydrophobicContact CG-CD2 4.22Å; F368-F374 HydrophobicContact CZ-CD2 4.22Å; F368-I377 HydrophobicContact CD1-CD1 4.02Å; F368-I377 HydrophobicContact CE1-CB 3.93Å; F368-I377 HydrophobicContact CE1-CD1 3.42Å; F368-I377 VanDerWaalsContact CE1-CD1 3.42Å; F368-I377 HydrophobicContact CE1-CG1 4.16Å; F368-I377 HydrophobicContact CE1-CG2 4.07Å; F368-I377 HydrophobicContact CZ-CD1 4.43Å; F368-I377 HydrophobicContact CZ-CG2 4.38Å
369Q80.9Confident80.3Confident174 Ų17458.2 Ų58.281%0.81330%0.295SS*.SBendtrans-103.2-16.4176.6-64.5-176.4-1100113.1E373Q369-E373 PolarHBondContact N-OE2 2.52Å
370S85.6Confident79.5Confident53 Ų5358.4 Ų58.437%0.37130%0.295SS..SBendtrans-151.4161.1-178.968.80000112.2S372 E373 F374S370-S372 PolarHBondContact O-N 3.2Å; S370-E373 PolarHBondContact O-N 3.25Å; S370-E373 VanDerWaalsContact O-N 3.15Å; S370-E373 PolarHBondContact OG-N 2.91Å; S370-F374 PolarHBondContact O-N 2.96Å; S370-F374 VanDerWaalsContact O-N 3.13Å
371W87.6Confident78.8Confident9 Ų958.6 Ų58.63%0.03429%0.294CS..Hα-helixtrans-53.5-41.5172.5172.2-113.4000112L279 F298 A310 L356 T360 E373 F374 L375L279-W371 HydrophobicContact CD2-CZ2 4.26Å; F298-W371 AromaticContact CD1-CH2 3.9Å; F298-W371 HydrophobicContact CD1-CH2 3.9Å; F298-W371 HydrophobicContact CD2-CH2 4.34Å; F298-W371 HydrophobicContact CD2-CZ3 4.36Å; F298-W371 AromaticContact CE1-CH2 3.99Å; F298-W371 HydrophobicContact CE1-CH2 3.99Å; F298-W371 HydrophobicContact CE2-CH2 4.42Å; F298-W371 HydrophobicContact CG-CH2 4.1Å; F298-W371 HydrophobicContact CG-CZ3 4.31Å; F298-W371 HydrophobicContact CZ-CH2 4.25Å; A310-W371 HydrophobicContact CB-CZ3 4.32Å; L356-W371 HydrophobicContact CB-CD2 4.16Å; L356-W371 HydrophobicContact CB-CG 4.36Å; L356-W371 HydrophobicContact CB-CZ2 4.03Å; L356-W371 HydrophobicContact CD1-CH2 4.4Å; L356-W371 HydrophobicContact CD1-CZ2 3.66Å; L356-W371 HydrophobicContact CD2-CH2 4.36Å; L356-W371 HydrophobicContact CD2-CZ2 4.28Å; L356-W371 HydrophobicContact CG-CZ2 4.21Å; T360-W371 HydrophobicContact CG2-CE3 3.6Å; T360-W371 HydrophobicContact CG2-CZ3 3.94Å; W371-E373 VanDerWaalsContact C-N 3.29Å; W371-E373 PolarHBondContact O-N 3.37Å; W371-F374 AromaticContact CE3-CD1 3.78Å; W371-F374 HydrophobicContact CE3-CD1 3.78Å; W371-F374 HydrophobicContact CE3-CE1 4.47Å; W371-F374 HydrophobicContact CE3-CG 4.48Å; W371-F374 HydrophobicContact CH2-CD1 4.19Å; W371-F374 HydrophobicContact CH2-CE1 4.31Å; W371-F374 AromaticContact CZ3-CD1 3.45Å; W371-F374 HydrophobicContact CZ3-CD1 3.45Å; W371-F374 VanDerWaalsContact CZ3-CD1 3.45Å; W371-F374 AromaticContact CZ3-CE1 3.73Å; W371-F374 HydrophobicContact CZ3-CE1 3.73Å; W371-F374 PolarHBondContact O-N 2.78Å; W371-L375 HydrophobicContact CD2-CB 4.47Å; W371-L375 HydrophobicContact CZ2-CB 4.24Å; W371-L375 HydrophobicContact CZ2-CD1 3.99Å; W371-L375 HydrophobicContact CZ2-CD2 4.38Å; W371-L375 HydrophobicContact CZ2-CG 4.43Å; W371-L375 VanDerWaalsContact O-CB 3.28Å; W371-L375 WeakPolarHBondContact O-CB 3.1Å; W371-L375 PolarHBondContact O-N 2.87Å
372S85.5Confident78.5Confident57 Ų5756.6 Ų56.640%0.39929%0.291SS..Hα-helixtrans-62.2-34.4-179.9-47.90000113.3S370 K376S370-S372 PolarHBondContact O-N 3.2Å; S372-K376 WeakPolarHBondContact O-CD 3.09Å; S372-K376 VanDerWaalsContact O-CG 3.23Å; S372-K376 WeakPolarHBondContact O-CG 3.38Å; S372-K376 PolarHBondContact O-N 2.83Å
373E83.9Confident78.5Confident55 Ų5556.2 Ų56.226%0.25730%0.296SS..Hα-helixtrans-73.2-42.1175.3-170.3177.9-164.700111.3F368 Q369 S370 W371 I377F368-E373 WeakPolarHBondContact CA-OE2 3.3Å; F368-E373 HydrophobicContact CD1-CG 4.29Å; Q369-E373 PolarHBondContact N-OE2 2.52Å; S370-E373 PolarHBondContact O-N 3.25Å; S370-E373 VanDerWaalsContact O-N 3.15Å; S370-E373 PolarHBondContact OG-N 2.91Å; W371-E373 VanDerWaalsContact C-N 3.29Å; W371-E373 PolarHBondContact O-N 3.37Å; E373-I377 PolarHBondContact O-N 2.82Å
374F86.7Confident79.1Confident0 Ų059 Ų590%031%0.313CS..Hα-helixtrans-59.7-51.4174.6179-89.7000111.4F298 I300 A310 L362 F368 S370 W371 K376 I377 F378F298-F374 HydrophobicContact CB-CE1 3.82Å; F298-F374 HydrophobicContact CB-CZ 3.99Å; I300-F374 HydrophobicContact CD1-CD2 3.93Å; I300-F374 HydrophobicContact CD1-CE2 3.55Å; I300-F374 HydrophobicContact CD1-CZ 3.97Å; I300-F374 HydrophobicContact CG1-CE2 4.01Å; I300-F374 HydrophobicContact CG1-CZ 3.96Å; A310-F374 HydrophobicContact CB-CD1 4.34Å; A310-F374 HydrophobicContact CB-CD2 4.48Å; A310-F374 HydrophobicContact CB-CE1 3.95Å; A310-F374 HydrophobicContact CB-CE2 4.09Å; A310-F374 HydrophobicContact CB-CZ 3.82Å; L362-F374 HydrophobicContact CD2-CB 3.75Å; L362-F374 HydrophobicContact CD2-CD2 3.86Å; L362-F374 HydrophobicContact CD2-CG 3.81Å; F368-F374 HydrophobicContact CB-CB 4.44Å; F368-F374 HydrophobicContact CD1-CB 4.17Å; F368-F374 HydrophobicContact CD1-CD2 4.39Å; F368-F374 HydrophobicContact CD2-CD2 4.05Å; F368-F374 HydrophobicContact CE1-CD2 4.36Å; F368-F374 HydrophobicContact CE2-CD2 4.07Å; F368-F374 HydrophobicContact CG-CB 4.28Å; F368-F374 HydrophobicContact CG-CD2 4.22Å; F368-F374 HydrophobicContact CZ-CD2 4.22Å; S370-F374 PolarHBondContact O-N 2.96Å; S370-F374 VanDerWaalsContact O-N 3.13Å; W371-F374 AromaticContact CE3-CD1 3.78Å; W371-F374 HydrophobicContact CE3-CD1 3.78Å; W371-F374 HydrophobicContact CE3-CE1 4.47Å; W371-F374 HydrophobicContact CE3-CG 4.48Å; W371-F374 HydrophobicContact CH2-CD1 4.19Å; W371-F374 HydrophobicContact CH2-CE1 4.31Å; W371-F374 AromaticContact CZ3-CD1 3.45Å; W371-F374 HydrophobicContact CZ3-CD1 3.45Å; W371-F374 VanDerWaalsContact CZ3-CD1 3.45Å; W371-F374 AromaticContact CZ3-CE1 3.73Å; W371-F374 HydrophobicContact CZ3-CE1 3.73Å; W371-F374 PolarHBondContact O-N 2.78Å; F374-K376 PolarHBondContact O-N 2.83Å; F374-I377 CarbonylContact O-C 3.5Å; F374-I377 PolarHBondContact O-N 2.81Å; F374-F378 HydrophobicContact CD1-CB 4.4Å; F374-F378 HydrophobicContact CE1-CB 4.15Å; F374-F378 AromaticContact CE1-CD2 3.92Å; F374-F378 HydrophobicContact CE1-CD2 3.92Å; F374-F378 HydrophobicContact CE1-CG 4.29Å; F374-F378 HydrophobicContact CZ-CD2 4.12Å; F374-F378 WeakPolarHBondContact O-CB 3.36Å; F374-F378 PolarHBondContact O-N 2.96Å
375L86.1Confident80.3Confident19 Ų1952.4 Ų52.410%0.09929%0.287CS..Hα-helixtrans-58.8-46.2-177.8178.759.5000111.8L279 Y280 W371 I377 F378 L379L279-L375 HydrophobicContact CD2-CD1 3.26Å; Y280-L375 WeakPolarHBondContact OH-CD2 3.41Å; W371-L375 HydrophobicContact CD2-CB 4.47Å; W371-L375 HydrophobicContact CZ2-CB 4.24Å; W371-L375 HydrophobicContact CZ2-CD1 3.99Å; W371-L375 HydrophobicContact CZ2-CD2 4.38Å; W371-L375 HydrophobicContact CZ2-CG 4.43Å; W371-L375 VanDerWaalsContact O-CB 3.28Å; W371-L375 WeakPolarHBondContact O-CB 3.1Å; W371-L375 PolarHBondContact O-N 2.87Å; L375-I377 PolarHBondContact O-N 2.8Å; L375-F378 PolarHBondContact O-N 3.46Å; L375-F378 VanDerWaalsContact O-N 3.14Å; L375-L379 HydrophobicContact CD1-CD1 4.1Å; L375-L379 HydrophobicContact CD1-CD2 4.08Å; L375-L379 HydrophobicContact CD1-CG 3.81Å; L375-L379 HydrophobicContact CG-CD1 4.18Å; L375-L379 HydrophobicContact CG-CG 4.25Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 2.99Å
376K80.9Confident81.9Confident149 Ų14953.4 Ų53.465%0.64829%0.289SS*.Hα-helixtrans-54.6-39.6175.6-77.6173.7-177.2-176.60112.2S372 F374 R380S372-K376 WeakPolarHBondContact O-CD 3.09Å; S372-K376 VanDerWaalsContact O-CG 3.23Å; S372-K376 WeakPolarHBondContact O-CG 3.38Å; S372-K376 PolarHBondContact O-N 2.83Å; F374-K376 PolarHBondContact O-N 2.83Å; K376-R380 VanDerWaalsContact O-CB 3.29Å; K376-R380 WeakPolarHBondContact O-CB 3.33Å; K376-R380 PolarHBondContact O-N 2.79Å
377I80Confident83.4Confident29 Ų2949.1 Ų49.115%0.14926%0.261CS..Hα-helixtrans-77.3-40.3-180-68.2178.5000110.7I300 F368 E373 F374 L375 R380 Q381I300-I377 HydrophobicContact CD1-CB 4.49Å; I300-I377 HydrophobicContact CD1-CG2 3.96Å; F368-I377 HydrophobicContact CD1-CD1 4.02Å; F368-I377 HydrophobicContact CE1-CB 3.93Å; F368-I377 HydrophobicContact CE1-CD1 3.42Å; F368-I377 VanDerWaalsContact CE1-CD1 3.42Å; F368-I377 HydrophobicContact CE1-CG1 4.16Å; F368-I377 HydrophobicContact CE1-CG2 4.07Å; F368-I377 HydrophobicContact CZ-CD1 4.43Å; F368-I377 HydrophobicContact CZ-CG2 4.38Å; E373-I377 PolarHBondContact O-N 2.82Å; F374-I377 CarbonylContact O-C 3.5Å; F374-I377 PolarHBondContact O-N 2.81Å; L375-I377 PolarHBondContact O-N 2.8Å; I377-R380 PolarHBondContact O-N 2.74Å; I377-Q381 HydrophobicContact CG2-CG 4.21Å; I377-Q381 VanDerWaalsContact CG2-NE2 3.25Å; I377-Q381 WeakPolarHBondContact O-CB 3.34Å; I377-Q381 WeakPolarHBondContact O-CG 3.42Å; I377-Q381 PolarHBondContact O-N 3.44Å
378F84.5Confident84.6Confident7 Ų747.5 Ų47.53%0.03126%0.255CS..Hα-helixtrans-58.3-48.6175.3-174.2-87.9000111.5L279 F298 K299 I300 F374 L375 R380 Q381 G382 V385L279-F378 HydrophobicContact CD1-CE1 4.29Å; F298-F378 HydrophobicContact CB-CE2 4.13Å; F298-F378 HydrophobicContact CD1-CZ 4.47Å; K299-F378 WeakPolarHBondContact O-CE2 3.44Å; I300-F378 HydrophobicContact CG1-CB 4.18Å; I300-F378 HydrophobicContact CG1-CD2 3.77Å; I300-F378 HydrophobicContact CG1-CG 4.44Å; F374-F378 HydrophobicContact CD1-CB 4.4Å; F374-F378 HydrophobicContact CE1-CB 4.15Å; F374-F378 AromaticContact CE1-CD2 3.92Å; F374-F378 HydrophobicContact CE1-CD2 3.92Å; F374-F378 HydrophobicContact CE1-CG 4.29Å; F374-F378 HydrophobicContact CZ-CD2 4.12Å; F374-F378 WeakPolarHBondContact O-CB 3.36Å; F374-F378 PolarHBondContact O-N 2.96Å; L375-F378 PolarHBondContact O-N 3.46Å; L375-F378 VanDerWaalsContact O-N 3.14Å; F378-R380 VanDerWaalsContact C-N 3.34Å; F378-R380 PolarHBondContact O-N 3.29Å; F378-Q381 PolarHBondContact O-N 2.98Å; F378-G382 CarbonylContact O-C 3.56Å; F378-G382 WeakPolarHBondContact O-CA 3.43Å; F378-G382 PolarHBondContact O-N 2.84Å; F378-V385 HydrophobicContact CZ-CG2 4.06Å
379L81.9Confident85.1Confident43 Ų4347.2 Ų47.223%0.22525%0.254CS..Hα-helixtrans-64.4-38176.6-64.1-173.5000112.4F277 L375F277-L379 HydrophobicContact CB-CD1 4.47Å; F277-L379 HydrophobicContact CB-CD2 3.42Å; F277-L379 VanDerWaalsContact CB-CD2 3.42Å; F277-L379 HydrophobicContact CB-CG 4.45Å; F277-L379 HydrophobicContact CD1-CD2 3.92Å; F277-L379 HydrophobicContact CG-CD2 3.88Å; L375-L379 HydrophobicContact CD1-CD1 4.1Å; L375-L379 HydrophobicContact CD1-CD2 4.08Å; L375-L379 HydrophobicContact CD1-CG 3.81Å; L375-L379 HydrophobicContact CG-CD1 4.18Å; L375-L379 HydrophobicContact CG-CG 4.25Å; L375-L379 WeakPolarHBondContact O-CG 3.41Å; L375-L379 PolarHBondContact O-N 2.99Å
380R76.3Confident85.3Confident111 Ų11141.2 Ų41.242%0.41923%0.23SC..Hα-helixtrans-72-35.5179.9-165.9-179.182.21711113.4R200 L201 K376 I377 F378R200-R380 PolarHBondContact O-NH2 3.34Å; L201-R380 PolarHBondContact O-NH2 2.89Å; L201-R380 VanDerWaalsContact O-NH2 3.07Å; K376-R380 VanDerWaalsContact O-CB 3.29Å; K376-R380 WeakPolarHBondContact O-CB 3.33Å; K376-R380 PolarHBondContact O-N 2.79Å; I377-R380 PolarHBondContact O-N 2.74Å; F378-R380 VanDerWaalsContact C-N 3.34Å; F378-R380 PolarHBondContact O-N 3.29Å
381Q76.3Confident85.2Confident26 Ų2639.4 Ų39.412%0.12122%0.218CC..Hα-helixtrans-99.5-15.8-173.9-64.5-17519.700112.9L201 I300 V302 I377 F378L201-Q381 HydrophobicContact CD2-CG 4.09Å; I300-Q381 HydrophobicContact CG2-CB 3.8Å; I300-Q381 HydrophobicContact CG2-CG 4.46Å; I300-Q381 VanDerWaalsContact CG2-OE1 3.23Å; V302-Q381 VanDerWaalsContact CB-OE1 3.27Å; V302-Q381 HydrophobicContact CG2-CB 3.94Å; V302-Q381 HydrophobicContact CG2-CG 4.18Å; I377-Q381 HydrophobicContact CG2-CG 4.21Å; I377-Q381 VanDerWaalsContact CG2-NE2 3.25Å; I377-Q381 WeakPolarHBondContact O-CB 3.34Å; I377-Q381 WeakPolarHBondContact O-CG 3.42Å; I377-Q381 PolarHBondContact O-N 3.44Å; F378-Q381 PolarHBondContact O-N 2.98Å
382G81.1Confident84.7Confident28 Ų2847.7 Ų47.729%0.28926%0.257SS..  trans72.6158.9-163.200000111.5N301 F378N301-G382 PolarHBondContact N-O 3.46Å; N301-G382 VanDerWaalsContact N-O 3.13Å; N301-G382 VanDerWaalsContact ND2-C 3.33Å; F378-G382 CarbonylContact O-C 3.56Å; F378-G382 WeakPolarHBondContact O-CA 3.43Å; F378-G382 PolarHBondContact O-N 2.84Å
383G86.6Confident84.6Confident29 Ų2951 Ų5130%0.29927%0.27SS..EExtended strand (participates in β ladder)trans-165.2-178.6174.500000110.9K299 N301K299-G383 CarbonylContact O-C 3.56Å; K299-G383 WeakPolarHBondContact O-CA 3.19Å; N301-G383 PolarHBondContact ND2-N 3.04Å
384V89.4Confident84.8Confident63 Ų6349.4 Ų49.438%0.38226%0.264SS..EExtended strand (participates in β ladder)trans-113.9140.3175.663.80000109.5F298 K299F298-V384 WeakPolarHBondContact CA-O 3.48Å; K299-V384 HydrophobicContact CB-CG1 3.84Å; K299-V384 HydrophobicContact CD-CG1 4.27Å; K299-V384 HydrophobicContact CG-CG1 4.43Å; K299-V384 PolarHBondContact N-O 3.31Å; K299-V384 PolarHBondContact O-N 3.42Å
385V91.7Very high85Confident40 Ų4052.1 Ų52.124%0.24228%0.281CS..EExtended strand (participates in β ladder)trans-105124164.5-175.10000106.8L279 L283 L286 W296 L297 F298 F378L279-V385 HydrophobicContact CD1-CG2 4.36Å; L283-V385 HydrophobicContact CD1-CG1 4Å; L286-V385 HydrophobicContact CD2-CG1 3.93Å; W296-V385 HydrophobicContact CE3-CG1 4.12Å; L297-V385 CarbonylContact O-C 3.59Å; L297-V385 VanDerWaalsContact O-CA 3.27Å; L297-V385 WeakPolarHBondContact O-CA 3.02Å; F298-V385 HydrophobicContact CD1-CG1 4.4Å; F298-V385 HydrophobicContact CD1-CG2 3.65Å; F298-V385 HydrophobicContact CE1-CG1 4.11Å; F298-V385 HydrophobicContact CE1-CG2 3.78Å; F298-V385 HydrophobicContact CZ-CG1 4.46Å; F378-V385 HydrophobicContact CZ-CG2 4.06Å
386E91.3Very high85.2Confident48 Ų4852.3 Ų52.322%0.22428%0.28CS..EExtended strand (participates in β ladder)trans-136.8153.8-177.164.5178.7-130.600111.3L297 K299L297-E386 HydrophobicContact CB-CG 3.75Å; L297-E386 HydrophobicContact CD1-CG 4.13Å; L297-E386 WeakPolarHBondContact CD1-OE1 3.49Å; L297-E386 HydrophobicContact CG-CG 4.47Å; L297-E386 PolarHBondContact N-O 3.44Å; L297-E386 PolarHBondContact O-N 2.86Å; K299-E386 VanDerWaalsContact CE-CD 3.46Å; K299-E386 WeakPolarHBondContact CE-OE1 3.36Å; K299-E386 WeakPolarHBondContact CE-OE2 3.44Å; K299-E386 IonicContact NZ-OE1 3.32Å; K299-E386 PolarHBondContact NZ-OE1 3.21Å; K299-E386 IonicContact NZ-OE2 2.87Å; K299-E386 PolarHBondContact NZ-OE2 2.92Å
387A91.3Very high85.8Confident27 Ų2745.2 Ų45.222%0.22325%0.25CC..EExtended strand (participates in β ladder)trans-70.6135.9175.400000110.6I293 W296I293-A387 HydrophobicContact CB-CB 4.44Å; I293-A387 HydrophobicContact CD1-CB 3.82Å; I293-A387 HydrophobicContact CG1-CB 3.91Å; I293-A387 HydrophobicContact CG2-CB 3.67Å; W296-A387 HydrophobicContact CZ3-CB 4.08Å
388Y90.6Very high86.4Confident17 Ų1744.2 Ų44.27%0.06725%0.245CC..PPolyproline II helixtrans-75.5147167.1-167.5-97.4000110R295 L297 V394 Y396R295-Y388 HydrophobicContact CB-CD1 4.28Å; R295-Y388 HydrophobicContact CB-CG 4.06Å; R295-Y388 VanDerWaalsContact CD-CG 3.46Å; R295-Y388 HydrophobicContact CG-CD1 4.36Å; R295-Y388 HydrophobicContact CG-CD2 4.27Å; R295-Y388 HydrophobicContact CG-CG 3.84Å; R295-Y388 VanDerWaalsContact O-CB 3.22Å; R295-Y388 WeakPolarHBondContact O-CB 3.12Å; R295-Y388 PolarHBondContact O-N 3.34Å; L297-Y388 HydrophobicContact CD1-CD2 3.86Å; L297-Y388 HydrophobicContact CD2-CD2 3.73Å; L297-Y388 HydrophobicContact CD2-CE2 4.42Å; L297-Y388 HydrophobicContact CG-CD2 3.87Å; Y388-V394 HydrophobicContact CE1-CG2 3.82Å; Y388-Y396 WeakPolarHBondContact CE2-OH 3.42Å; Y388-Y396 PolarHBondContact OH-OH 3.29Å
389P89.1Confident86.9Confident8 Ų843.9 Ų43.95%0.05224%0.243CC..PPolyproline II helixtrans-52.8135.3174.9-28.536.3000112.6S391 V394 A466 F468 W480P389-S391 PolarHBondContact O-N 2.9Å; P389-V394 HydrophobicContact CB-CG1 4.46Å; P389-V394 HydrophobicContact CB-CG2 3.74Å; P389-V394 HydrophobicContact CG-CG1 4.14Å; P389-V394 HydrophobicContact CG-CG2 4.12Å; P389-A466 HydrophobicContact CG-CB 4.11Å; P389-F468 HydrophobicContact CB-CD1 3.58Å; P389-F468 HydrophobicContact CB-CD2 4.26Å; P389-F468 HydrophobicContact CB-CE1 3.66Å; P389-F468 HydrophobicContact CB-CE2 4.33Å; P389-F468 HydrophobicContact CB-CG 3.9Å; P389-F468 HydrophobicContact CB-CZ 4.04Å; P389-F468 HydrophobicContact CG-CD1 4.21Å; P389-F468 HydrophobicContact CG-CE1 4.22Å; P389-W480 HydrophobicContact CB-CE3 4.42Å; P389-W480 HydrophobicContact CB-CZ3 4.32Å; P389-W480 HydrophobicContact CG-CE3 3.99Å; P389-W480 HydrophobicContact CG-CZ3 4.17Å
390P84.9Confident87.5Confident47 Ų4741.9 Ų41.931%0.30523%0.233SC..SBendtrans-75.957.4-177.232.9-38.6000112F468P390-F468 HydrophobicContact CG-CE2 3.82Å; P390-F468 HydrophobicContact CG-CZ 4.44Å
391S83.4Confident88.4Confident15 Ų1536.6 Ų36.611%0.10521%0.213CC..  trans-156.1142.3179.6-166.40000110.3P389 N393 V394 V469P389-S391 PolarHBondContact O-N 2.9Å; S391-N393 VanDerWaalsContact C-N 3.29Å; S391-N393 PolarHBondContact OG-N 3.3Å; S391-V394 WeakPolarHBondContact O-CG2 3.41Å; S391-V469 PolarHBondContact OG-O 3.07Å
392E77.9Confident89.4Confident183 Ų18337.3 Ų37.386%0.85522%0.217SC*.SBendtrans-73.3-27.5171.6-62.7-173.5166.500111.5V394E392-V394 PolarHBondContact O-N 3.3Å
393N83.4Confident90Very high126 Ų12636.4 Ų36.467%0.67421%0.206SC*.  trans-104.175.8-176-67.9-41.1000110.9S391S391-N393 VanDerWaalsContact C-N 3.29Å; S391-N393 PolarHBondContact OG-N 3.3Å
394V88.6Confident90.2Very high22 Ų2238.3 Ų38.313%0.13321%0.207CC..PPolyproline II helixtrans-94.9124174.6-172.40000109.8Y388 P389 S391 E392 Y396 A466 F468Y388-V394 HydrophobicContact CE1-CG2 3.82Å; P389-V394 HydrophobicContact CB-CG1 4.46Å; P389-V394 HydrophobicContact CB-CG2 3.74Å; P389-V394 HydrophobicContact CG-CG1 4.14Å; P389-V394 HydrophobicContact CG-CG2 4.12Å; S391-V394 WeakPolarHBondContact O-CG2 3.41Å; E392-V394 PolarHBondContact O-N 3.3Å; V394-Y396 HydrophobicContact CB-CE2 4.06Å; V394-Y396 HydrophobicContact CG1-CD2 4.17Å; V394-Y396 HydrophobicContact CG1-CE1 4.12Å; V394-Y396 HydrophobicContact CG1-CE2 3.72Å; V394-A466 HydrophobicContact CG1-CB 3.69Å; V394-F468 HydrophobicContact CG2-CB 4.24Å
395T89.6Confident89.8Confident58 Ų5840.6 Ų40.636%0.35622%0.223SC..EExtended strand (participates in β ladder)trans-101.6123.3168.5-520000109.5D416 T467T395-D416 HydrophobicContact CG2-CB 4.39Å; T395-T467 PolarHBondContact N-O 2.9Å; T395-T467 PolarHBondContact O-N 3.02Å
396Y91.4Very high89.2Confident23 Ų2343 Ų439%0.0924%0.235CC..EExtended strand (participates in β ladder)trans-92.2140.6177.6-68.5-85.1000110.1Y388 V394 D416 Q417 H419 L465 A466 I482Y388-Y396 WeakPolarHBondContact CE2-OH 3.42Å; Y388-Y396 PolarHBondContact OH-OH 3.29Å; V394-Y396 HydrophobicContact CB-CE2 4.06Å; V394-Y396 HydrophobicContact CG1-CD2 4.17Å; V394-Y396 HydrophobicContact CG1-CE1 4.12Å; V394-Y396 HydrophobicContact CG1-CE2 3.72Å; Y396-D416 CarbonylContact O-C 3.57Å; Y396-D416 WeakPolarHBondContact O-CA 3.33Å; Y396-Q417 PolarHBondContact O-N 3.1Å; Y396-H419 WeakPolarHBondContact CB-CE1 3.25Å; Y396-H419 AromaticContact CD2-CE1 3.32Å; Y396-H419 WeakPolarHBondContact CD2-CE1 3.46Å; Y396-H419 AromaticContact CD2-ND1 3.71Å; Y396-H419 AromaticContact CD2-NE2 3.77Å; Y396-H419 AromaticContact CG-CE1 3.41Å; Y396-H419 VanDerWaalsContact CG-CE1 3.41Å; Y396-H419 AromaticContact CG-NE2 3.89Å; Y396-L465 CarbonylContact C-O 3.58Å; Y396-L465 VanDerWaalsContact CA-O 3.3Å; Y396-L465 WeakPolarHBondContact CA-O 3.38Å; Y396-A466 HydrophobicContact CD1-CB 4.22Å; Y396-A466 HydrophobicContact CE1-CB 4.08Å; Y396-I482 HydrophobicContact CD1-CD1 3.26Å; Y396-I482 HydrophobicContact CE1-CD1 3.4Å; Y396-I482 VanDerWaalsContact CE1-CD1 3.4Å
397V92.6Very high88.5Confident0 Ų042 Ų420%024%0.236CC..EExtended strand (participates in β ladder)trans-129.5134.7-177.8-174.60000108.4V399 G415 K433 S435 V436 L441 L465V397-V399 HydrophobicContact CG1-CG2 4.36Å; V397-G415 WeakPolarHBondContact CA-O 3.43Å; V397-K433 HydrophobicContact CG1-CB 4.32Å; V397-K433 HydrophobicContact CG1-CD 3.81Å; V397-S435 WeakPolarHBondContact CG2-OG 3.2Å; V397-V436 HydrophobicContact CG2-CG2 4Å; V397-L441 HydrophobicContact CG1-CD1 4.44Å; V397-L465 HydrophobicContact CB-CB 4.31Å; V397-L465 PolarHBondContact N-O 3.05Å; V397-L465 PolarHBondContact O-N 3.13Å
398T92.9Very high88.3Confident7 Ų745.8 Ų45.84%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-112.1140.3173.5-158.80000109.9W414 G415 Q417 S462 V463 H491T398-W414 VanDerWaalsContact O-CA 3.26Å; T398-W414 WeakPolarHBondContact O-CA 3.3Å; T398-G415 PolarHBondContact N-O 3.14Å; T398-G415 PolarHBondContact O-N 2.69Å; T398-Q417 HydrophobicContact CG2-CG 4.14Å; T398-S462 PolarHBondContact OG1-OG 2.95Å; T398-V463 WeakPolarHBondContact CA-O 3.49Å; T398-H491 HydrophobicContact CG2-CB 4.18Å; T398-H491 VanDerWaalsContact CG2-CD2 3.44Å; T398-H491 WeakPolarHBondContact CG2-CD2 3.47Å; T398-H491 VanDerWaalsContact CG2-CE1 3.42Å; T398-H491 WeakPolarHBondContact CG2-CE1 3.46Å; T398-H491 VanDerWaalsContact CG2-CG 3.41Å; T398-H491 WeakPolarHBondContact CG2-ND1 3.47Å; T398-H491 WeakPolarHBondContact CG2-NE2 3.25Å
399V94.7Very high88.4Confident0 Ų046.8 Ų46.80%026%0.258CS..EExtended strand (participates in β ladder)trans-134.9125.4175-170.90000110V397 M401 I411 S413 W414 L441 S462 V463V397-V399 HydrophobicContact CG1-CG2 4.36Å; V399-M401 HydrophobicContact CG1-CG 4.48Å; V399-I411 HydrophobicContact CG1-CG2 3.71Å; V399-S413 CarbonylContact C-O 3.47Å; V399-S413 WeakPolarHBondContact CA-O 3.36Å; V399-W414 HydrophobicContact CG1-CB 4.29Å; V399-W414 HydrophobicContact CG2-CB 4.16Å; V399-L441 HydrophobicContact CG2-CD1 3.74Å; V399-L441 HydrophobicContact CG2-CD2 3.47Å; V399-L441 VanDerWaalsContact CG2-CD2 3.47Å; V399-L441 HydrophobicContact CG2-CG 3.9Å; V399-S462 CarbonylContact O-C 3.42Å; V399-S462 WeakPolarHBondContact O-CA 3.15Å; V399-V463 PolarHBondContact N-O 3.27Å; V399-V463 PolarHBondContact O-N 2.91Å
400D95.1Very high88.6Confident2 Ų248.8 Ų48.81%0.01127%0.27CS..EExtended strand (participates in β ladder)trans-103.8134.7177.4-51.8-82.9000110.9L412 S413 V461 S462 S489 H491 L492D400-L412 PolarHBondContact O-N 3.35Å; D400-S413 VanDerWaalsContact CB-OG 3.29Å; D400-S413 WeakPolarHBondContact CB-OG 3.27Å; D400-S413 VanDerWaalsContact CG-OG 3.3Å; D400-S413 PolarHBondContact N-O 3.31Å; D400-S413 PolarHBondContact O-N 3.43Å; D400-S413 PolarHBondContact OD2-OG 3.48Å; D400-V461 CarbonylContact C-O 3.52Å; D400-V461 WeakPolarHBondContact CA-O 3.34Å; D400-S462 VanDerWaalsContact OD1-CB 3.3Å; D400-S462 WeakPolarHBondContact OD1-CB 3.36Å; D400-S462 PolarHBondContact OD1-OG 3.1Å; D400-S489 WeakPolarHBondContact OD1-CB 3.36Å; D400-S489 PolarHBondContact OD1-OG 2.95Å; D400-H491 IonicContact OD2-CE1 2.91Å; D400-H491 IonicContact OD2-CG 2.91Å; D400-H491 IonicContact OD2-ND1 3.36Å; D400-H491 PolarHBondContact OD2-ND1 3.32Å; D400-L492 HydrophobicContact CB-CB 4.02Å; D400-L492 HydrophobicContact CB-CD1 4.28Å; D400-L492 HydrophobicContact CB-CD2 4.2Å; D400-L492 HydrophobicContact CB-CG 4.39Å
401M95.6Very high89Confident0 Ų047.8 Ų47.80%026%0.261CS..EExtended strand (participates in β ladder)trans-129151.5-178.9-62.2-177.6-73.800110.7V399 V409 T410 I411 C445 V448 A449 Y460 V461 V463V399-M401 HydrophobicContact CG1-CG 4.48Å; M401-V409 HydrophobicContact SD-CG1 4.16Å; M401-T410 CarbonylContact C-O 3.58Å; M401-T410 VanDerWaalsContact CA-O 3.26Å; M401-T410 WeakPolarHBondContact CA-O 3.29Å; M401-I411 HydrophobicContact CG-CG1 4.1Å; M401-I411 HydrophobicContact SD-CG1 4.49Å; M401-C445 HydrophobicContact CE-CB 4.45Å; M401-C445 HydrophobicContact SD-CB 3.62Å; M401-V448 HydrophobicContact CE-CG1 4.29Å; M401-A449 HydrophobicContact SD-CB 4.39Å; M401-Y460 CarbonylContact O-C 3.59Å; M401-Y460 WeakPolarHBondContact O-CA 3.41Å; M401-V461 PolarHBondContact N-O 3.47Å; M401-V461 PolarHBondContact O-N 3.01Å; M401-V463 HydrophobicContact CE-CG2 3.43Å; M401-V463 VanDerWaalsContact CE-CG2 3.43Å
402L95.7Very high89.4Confident40 Ų4049.2 Ų49.221%0.20927%0.267CS..EExtended strand (participates in β ladder)trans-110.2118.4164.9177.562.7000108.7E404 T410 L412 Y460L402-E404 HydrophobicContact CD2-CG 4.24Å; L402-E404 HydrophobicContact CG-CG 4.12Å; L402-T410 PolarHBondContact N-O 3.3Å; L402-T410 PolarHBondContact O-N 2.89Å; L402-L412 HydrophobicContact CB-CD1 3.85Å; L402-L412 HydrophobicContact CB-CG 4.28Å; L402-Y460 HydrophobicContact CB-CD1 4.44Å; L402-Y460 HydrophobicContact CB-CE1 4.45Å; L402-Y460 HydrophobicContact CD1-CD1 4.04Å; L402-Y460 HydrophobicContact CD1-CE1 3.95Å; L402-Y460 HydrophobicContact CD1-CE2 4.48Å; L402-Y460 HydrophobicContact CD1-CG 4.36Å
403L94.2Very high90Very high9 Ų940.5 Ų40.55%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-95.9109.6173.2-52.8-175.7000108.6V409 A449 C452 I458 G459 V461L403-V409 HydrophobicContact CD2-CB 4.35Å; L403-V409 HydrophobicContact CD2-CG1 3.87Å; L403-V409 HydrophobicContact CD2-CG2 3.89Å; L403-A449 HydrophobicContact CD2-CB 3.57Å; L403-C452 HydrophobicContact CD1-CB 3.35Å; L403-I458 WeakPolarHBondContact O-CG2 3.48Å; L403-G459 PolarHBondContact N-O 3.34Å; L403-G459 PolarHBondContact O-N 3Å; L403-V461 HydrophobicContact CD1-CG2 3.75Å; L403-V461 HydrophobicContact CG-CG2 4.14Å
404E89.9Confident90.5Very high70 Ų7034.6 Ų34.633%0.32720%0.195SC..  trans-86.6154.2-176.7-70.8-16792.400112.5L402 N406 G407 E408L402-E404 HydrophobicContact CD2-CG 4.24Å; L402-E404 HydrophobicContact CG-CG 4.12Å; E404-N406 WeakPolarHBondContact CB-OD1 3.29Å; E404-N406 PolarHBondContact O-N 3.42Å; E404-G407 WeakPolarHBondContact O-CA 3.31Å; E404-G407 PolarHBondContact O-N 3.48Å; E404-E408 HydrophobicContact CB-CB 4.35Å; E404-E408 PolarHBondContact N-O 3.07Å
405P82.2Confident90.6Very high110 Ų11033.6 Ų33.671%0.71419%0.189SC*.THydrogen-bonded Turntrans-61-25.5179.8-22.732.1000114.8G407 I458P405-G407 PolarHBondContact O-N 3.13Å; P405-I458 HydrophobicContact CG-CG2 4.01Å
406N79.5Confident90.7Very high92 Ų9231.3 Ų31.349%0.49218%0.175SC..THydrogen-bonded Turntrans-72.9-7.2173.765-5.6000112.4E404 E408E404-N406 WeakPolarHBondContact CB-OD1 3.29Å; E404-N406 PolarHBondContact O-N 3.42Å; N406-E408 PolarHBondContact ND2-OE2 2.98Å; N406-E408 WeakPolarHBondContact OD1-CB 3.17Å; N406-E408 PolarHBondContact OD1-N 3.22Å
407G75.2Confident90.6Very high25 Ų2531.4 Ų31.426%0.25818%0.176SC..SBendtrans85.310-17700000114.5E404 P405E404-G407 WeakPolarHBondContact O-CA 3.31Å; E404-G407 PolarHBondContact O-N 3.48Å; P405-G407 PolarHBondContact O-N 3.13Å
408E88.4Confident90.3Very high107 Ų10734.5 Ų34.550%0.519%0.192SC..  trans-74.1145.9170.1-170.5167.5-17600110.5E404 N406E404-E408 HydrophobicContact CB-CB 4.35Å; E404-E408 PolarHBondContact N-O 3.07Å; N406-E408 PolarHBondContact ND2-OE2 2.98Å; N406-E408 WeakPolarHBondContact OD1-CB 3.17Å; N406-E408 PolarHBondContact OD1-N 3.22Å
409V92.5Very high89.8Confident39 Ų3936.5 Ų36.524%0.23620%0.201CC..EExtended strand (participates in β ladder)trans-125117.2-176.6-179.70000107.7M401 L403 M446 A449M401-V409 HydrophobicContact SD-CG1 4.16Å; L403-V409 HydrophobicContact CD2-CB 4.35Å; L403-V409 HydrophobicContact CD2-CG1 3.87Å; L403-V409 HydrophobicContact CD2-CG2 3.89Å; V409-M446 HydrophobicContact CB-CE 4.15Å; V409-M446 HydrophobicContact CB-SD 4.18Å; V409-M446 HydrophobicContact CG1-SD 4.01Å; V409-M446 HydrophobicContact CG2-CE 4.25Å; V409-A449 HydrophobicContact CB-CB 4.32Å; V409-A449 HydrophobicContact CG1-CB 3.69Å; V409-A449 HydrophobicContact CG2-CB 3.66Å
410T92.4Very high88.7Confident50 Ų5037.4 Ų37.431%0.30721%0.21SC..EExtended strand (participates in β ladder)trans-112.4122.2176.7-59.60000109.5M401 L402 L412M401-T410 CarbonylContact C-O 3.58Å; M401-T410 VanDerWaalsContact CA-O 3.26Å; M401-T410 WeakPolarHBondContact CA-O 3.29Å; L402-T410 PolarHBondContact N-O 3.3Å; L402-T410 PolarHBondContact O-N 2.89Å; T410-L412 HydrophobicContact CG2-CD2 3.81Å
411I92.8Very high87.3Confident25 Ų2543.5 Ų43.513%0.12825%0.252CS..EExtended strand (participates in β ladder)trans-82.8121.9171-57.3171.9000107.8V399 M401 W414 C445 W508V399-I411 HydrophobicContact CG1-CG2 3.71Å; M401-I411 HydrophobicContact CG-CG1 4.1Å; M401-I411 HydrophobicContact SD-CG1 4.49Å; I411-W414 HydrophobicContact CG2-CE3 3.81Å; I411-W414 HydrophobicContact CG2-CZ3 4.25Å; I411-C445 HydrophobicContact CD1-CB 4.15Å; I411-W508 HydrophobicContact CB-CE3 4.19Å; I411-W508 HydrophobicContact CB-CZ3 4.42Å; I411-W508 HydrophobicContact CD1-CD2 3.9Å; I411-W508 HydrophobicContact CD1-CE3 3.97Å; I411-W508 HydrophobicContact CD1-CH2 3.63Å; I411-W508 HydrophobicContact CD1-CZ2 3.61Å; I411-W508 HydrophobicContact CD1-CZ3 3.85Å; I411-W508 HydrophobicContact CG2-CE3 3.73Å; I411-W508 HydrophobicContact CG2-CH2 4.42Å; I411-W508 HydrophobicContact CG2-CZ3 3.65Å
412L92.4Very high85.8Confident45 Ų4544.3 Ų44.324%0.23626%0.257CS..EExtended strand (participates in β ladder)trans-100.8-38.5-171.5-65.3177.4000113D400 L402 T410 Y460 L492D400-L412 PolarHBondContact O-N 3.35Å; L402-L412 HydrophobicContact CB-CD1 3.85Å; L402-L412 HydrophobicContact CB-CG 4.28Å; T410-L412 HydrophobicContact CG2-CD2 3.81Å; L412-Y460 HydrophobicContact CD1-CD1 3.88Å; L412-Y460 HydrophobicContact CD1-CE1 3.66Å; L412-L492 HydrophobicContact CB-CD1 3.6Å; L412-L492 HydrophobicContact CD1-CD1 4.01Å; L412-L492 HydrophobicContact CD1-CD2 3.77Å; L412-L492 HydrophobicContact CG-CD1 4.46Å
413S91.4Very high84.6Confident0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans-153.9150.4-179.443.80000111.4V399 D400 L492V399-S413 CarbonylContact C-O 3.47Å; V399-S413 WeakPolarHBondContact CA-O 3.36Å; D400-S413 VanDerWaalsContact CB-OG 3.29Å; D400-S413 WeakPolarHBondContact CB-OG 3.27Å; D400-S413 VanDerWaalsContact CG-OG 3.3Å; D400-S413 PolarHBondContact N-O 3.31Å; D400-S413 PolarHBondContact O-N 3.43Å; D400-S413 PolarHBondContact OD2-OG 3.48Å; S413-L492 WeakPolarHBondContact OG-CD1 3.22Å
414W92.4Very high83.5Confident3 Ų347.9 Ų47.91%0.01127%0.273CS..EExtended strand (participates in β ladder)trans-150.9135.5174.958.191.3000110.1T398 V399 I411 K433 L441 L506 W508T398-W414 VanDerWaalsContact O-CA 3.26Å; T398-W414 WeakPolarHBondContact O-CA 3.3Å; V399-W414 HydrophobicContact CG1-CB 4.29Å; V399-W414 HydrophobicContact CG2-CB 4.16Å; I411-W414 HydrophobicContact CG2-CE3 3.81Å; I411-W414 HydrophobicContact CG2-CZ3 4.25Å; W414-K433 PolarHBondContact O-N 2.76Å; W414-L441 HydrophobicContact CB-CD2 4.19Å; W414-L506 HydrophobicContact CH2-CB 3.79Å; W414-L506 HydrophobicContact CH2-CD2 4.3Å; W414-L506 HydrophobicContact CZ2-CB 4.45Å; W414-L506 HydrophobicContact CZ2-CD2 4.15Å; W414-L506 HydrophobicContact CZ3-CB 4.13Å; W414-W508 HydrophobicContact CB-CZ3 4.41Å; W414-W508 AromaticContact CD2-CE3 3.69Å; W414-W508 HydrophobicContact CD2-CE3 3.69Å; W414-W508 AromaticContact CD2-CZ3 3.63Å; W414-W508 HydrophobicContact CD2-CZ3 3.63Å; W414-W508 AromaticContact CE2-CE3 3.94Å; W414-W508 AromaticContact CE3-CE3 3.48Å; W414-W508 HydrophobicContact CE3-CE3 3.48Å; W414-W508 VanDerWaalsContact CE3-CE3 3.48Å; W414-W508 AromaticContact CE3-CZ3 3.71Å; W414-W508 HydrophobicContact CE3-CZ3 3.71Å; W414-W508 HydrophobicContact CG-CE3 4.47Å; W414-W508 AromaticContact CG-CZ3 3.96Å; W414-W508 HydrophobicContact CG-CZ3 3.96Å; W414-W508 HydrophobicContact CH2-CB 4.06Å; W414-W508 AromaticContact CH2-CE3 3.84Å; W414-W508 HydrophobicContact CH2-CE3 3.84Å; W414-W508 HydrophobicContact CZ2-CE3 4.02Å; W414-W508 HydrophobicContact CZ3-CB 4.41Å; W414-W508 AromaticContact CZ3-CE3 3.58Å; W414-W508 HydrophobicContact CZ3-CE3 3.58Å; W414-W508 HydrophobicContact CZ3-CZ3 4.28Å
415G91.2Very high82.8Confident0 Ų045.5 Ų45.50%026%0.263CS..EExtended strand (participates in β ladder)trans-156.9154.1-17600000113.5V397 T398 I430V397-G415 WeakPolarHBondContact CA-O 3.43Å; T398-G415 PolarHBondContact N-O 3.14Å; T398-G415 PolarHBondContact O-N 2.69Å; G415-I430 CarbonylContact C-O 3.55Å; G415-I430 WeakPolarHBondContact CA-O 3.49Å
416D91.6Very high82.7Confident11 Ų1142.3 Ų42.36%0.05924%0.239CC..EExtended strand (participates in β ladder)trans-78.7120.4171-65.4-34.3000108.3T395 Y396 S429 I430 K433 T434 S435T395-D416 HydrophobicContact CG2-CB 4.39Å; Y396-D416 CarbonylContact O-C 3.57Å; Y396-D416 WeakPolarHBondContact O-CA 3.33Å; D416-S429 CarbonylContact O-C 3.52Å; D416-S429 WeakPolarHBondContact O-CA 2.91Å; D416-S429 WeakPolarHBondContact O-CB 3.13Å; D416-I430 HydrophobicContact CB-CB 4.4Å; D416-I430 PolarHBondContact N-O 3.09Å; D416-I430 PolarHBondContact O-N 2.86Å; D416-K433 WeakPolarHBondContact OD1-CB 3.39Å; D416-T434 PolarHBondContact OD2-N 3.48Å; D416-T434 PolarHBondContact OD2-OG1 2.95Å; D416-S435 WeakPolarHBondContact OD1-CB 3.39Å; D416-S435 PolarHBondContact OD1-OG 3.21Å; D416-S435 PolarHBondContact OD2-N 3.43Å
417Q90.3Very high82.8Confident25 Ų2541.2 Ų41.212%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-74.7131.4-176.4-68.6-178.6-5.700111.2Y396 T398 H419 I426Y396-Q417 PolarHBondContact O-N 3.1Å; T398-Q417 HydrophobicContact CG2-CG 4.14Å; Q417-H419 PolarHBondContact O-ND1 3.49Å; Q417-H419 PolarHBondContact OE1-CE1 3.33Å; Q417-H419 VanDerWaalsContact OE1-CE1 3.31Å; Q417-I426 HydrophobicContact CB-CG2 4.39Å; Q417-I426 HydrophobicContact CG-CG2 4.42Å
418L86.7Confident83.3Confident64 Ų6440.1 Ų40.134%0.33522%0.224SC..EExtended strand (participates in β ladder)trans-92.9126172.6-62177.1000109.6V427 G428 I430 V538L418-V427 PolarHBondContact O-N 2.89Å; L418-G428 PolarHBondContact N-O 2.63Å; L418-G428 PolarHBondContact O-N 3.32Å; L418-I430 HydrophobicContact CD1-CG1 4.17Å; L418-I430 HydrophobicContact CD2-CD1 3.93Å; L418-I430 HydrophobicContact CD2-CG1 4.01Å; L418-I430 HydrophobicContact CG-CG1 4.18Å; L418-V538 HydrophobicContact CD1-CG1 3.61Å
419H81.4Confident83.4Confident49 Ų4935 Ų3523%0.22720%0.2CC..EExtended strand (participates in β ladder)trans-105.2150.1-177.9-70.470.4000111.9Y396 Q417 H423 D425Y396-H419 WeakPolarHBondContact CB-CE1 3.25Å; Y396-H419 AromaticContact CD2-CE1 3.32Å; Y396-H419 WeakPolarHBondContact CD2-CE1 3.46Å; Y396-H419 AromaticContact CD2-ND1 3.71Å; Y396-H419 AromaticContact CD2-NE2 3.77Å; Y396-H419 AromaticContact CG-CE1 3.41Å; Y396-H419 VanDerWaalsContact CG-CE1 3.41Å; Y396-H419 AromaticContact CG-NE2 3.89Å; Q417-H419 PolarHBondContact O-ND1 3.49Å; Q417-H419 PolarHBondContact OE1-CE1 3.33Å; Q417-H419 VanDerWaalsContact OE1-CE1 3.31Å; H419-H423 PolarHBondContact CD2-O 3.19Å; H419-D425 CarbonylContact C-O 3.55Å; H419-D425 VanDerWaalsContact CA-O 3.27Å; H419-D425 WeakPolarHBondContact CA-O 3.39Å
420G72.8Confident83.3Confident20 Ų2035.6 Ų35.621%0.20620%0.201CC..  trans-72.2-179.3170.900000112.4C422 H423 D425G420-C422 PolarHBondContact O-N 2.91Å; G420-H423 PolarHBondContact O-N 3.39Å; G420-D425 PolarHBondContact N-O 2.93Å
421C65.6Low83.1Confident130 Ų13033.2 Ų33.288%0.87819%0.187SC*.THydrogen-bonded Turntrans-58.4-21.4-173.1-54.60000115.5
422C63.8Low82.8Confident17 Ų1732.2 Ų32.212%0.11518%0.182CC..THydrogen-bonded Turntrans-94.74.1177.959.40000113.5G420 L424 D425G420-C422 PolarHBondContact O-N 2.91Å; C422-L424 PolarHBondContact O-N 3.3Å; C422-D425 PolarHBondContact SG-OD2 3.19Å
423H70.3Confident82.3Confident104 Ų10430.9 Ų30.948%0.48117%0.174SC..SBendtrans57.94.3-177-55.7-75.9000116.2H419 G420H419-H423 PolarHBondContact CD2-O 3.19Å; G420-H423 PolarHBondContact O-N 3.39Å
424L70.9Confident81.7Confident19 Ų1935.3 Ų35.310%0.09920%0.202CC..SBendtrans-103.8-27.7179.5-66.6178.4000113.3L297 A309 Y311 A363 C422L297-L424 HydrophobicContact CD2-CD2 3.92Å; A309-L424 HydrophobicContact CB-CD1 4.32Å; A309-L424 HydrophobicContact CB-CD2 4.34Å; Y311-L424 HydrophobicContact CD1-CD1 3.73Å; Y311-L424 HydrophobicContact CD1-CD2 4.07Å; Y311-L424 HydrophobicContact CD1-CG 3.89Å; Y311-L424 HydrophobicContact CE1-CD1 4.3Å; Y311-L424 HydrophobicContact CE1-CG 4.31Å; A363-L424 HydrophobicContact CB-CB 3.85Å; A363-L424 HydrophobicContact CB-CD1 3.82Å; C422-L424 PolarHBondContact O-N 3.3Å
425D75.6Confident81.3Confident21 Ų2135.9 Ų35.911%0.11221%0.206CC..SBendtrans-95.2122.9-176.3-65.2-43.5000111R307 K364 H419 G420 C422R307-D425 WeakPolarHBondContact CG-OD1 3.17Å; K364-D425 WeakPolarHBondContact CA-OD2 3.29Å; K364-D425 WeakPolarHBondContact CB-OD2 3.41Å; K364-D425 PolarHBondContact N-OD2 3.42Å; H419-D425 CarbonylContact C-O 3.55Å; H419-D425 VanDerWaalsContact CA-O 3.27Å; H419-D425 WeakPolarHBondContact CA-O 3.39Å; G420-D425 PolarHBondContact N-O 2.93Å; C422-D425 PolarHBondContact SG-OD2 3.19Å
426I79.2Confident81Confident42 Ų4236.5 Ų36.522%0.21521%0.21CC..EExtended strand (participates in β ladder)trans-81.4119.7175.5-55.4164.2000109.1Q417 I541Q417-I426 HydrophobicContact CB-CG2 4.39Å; Q417-I426 HydrophobicContact CG-CG2 4.42Å; I426-I541 HydrophobicContact CG2-CD1 4.06Å
427V81.9Confident80.7Confident70 Ų7043.3 Ų43.342%0.42424%0.241SC..EExtended strand (participates in β ladder)trans-98.9-32-179.1-178.80000111.4L418 I541L418-V427 PolarHBondContact O-N 2.89Å; V427-I541 PolarHBondContact O-N 2.94Å
428G86.6Confident80.5Confident2 Ų244.1 Ų44.12%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-172.8-166.2-176.500000112.9L418 V539L418-G428 PolarHBondContact N-O 2.63Å; L418-G428 PolarHBondContact O-N 3.32Å; G428-V539 CarbonylContact C-O 3.59Å; G428-V539 WeakPolarHBondContact CA-O 3.28Å
429S90.3Very high80.5Confident0 Ų049 Ų490%027%0.267CS..EExtended strand (participates in β ladder)trans-146.3158.3171.365.20000112.5D416 H491 V538 V539D416-S429 CarbonylContact O-C 3.52Å; D416-S429 WeakPolarHBondContact O-CA 2.91Å; D416-S429 WeakPolarHBondContact O-CB 3.13Å; S429-H491 VanDerWaalsContact CB-CD2 3.45Å; S429-H491 WeakPolarHBondContact CB-CD2 3.15Å; S429-H491 WeakPolarHBondContact CB-NE2 3.37Å; S429-H491 PolarHBondContact OG-CD2 3.05Å; S429-H491 PolarHBondContact OG-NE2 2.9Å; S429-V538 WeakPolarHBondContact O-CA 3.42Å; S429-V539 PolarHBondContact N-O 3.43Å; S429-V539 PolarHBondContact O-N 2.6Å
430I90Very high80.9Confident50 Ų5049.8 Ų49.826%0.25628%0.275SS..EExtended strand (participates in β ladder)trans-98.8128.5166.9-57172000107.8G415 D416 L418 A537 V538G415-I430 CarbonylContact C-O 3.55Å; G415-I430 WeakPolarHBondContact CA-O 3.49Å; D416-I430 HydrophobicContact CB-CB 4.4Å; D416-I430 PolarHBondContact N-O 3.09Å; D416-I430 PolarHBondContact O-N 2.86Å; L418-I430 HydrophobicContact CD1-CG1 4.17Å; L418-I430 HydrophobicContact CD2-CD1 3.93Å; L418-I430 HydrophobicContact CD2-CG1 4.01Å; L418-I430 HydrophobicContact CG-CG1 4.18Å; I430-A537 CarbonylContact C-O 3.58Å; I430-A537 WeakPolarHBondContact CA-O 3.16Å; I430-V538 HydrophobicContact CG1-CG2 4.29Å
431I88.7Confident81.7Confident0 Ų048.8 Ų48.80%027%0.265CS..EExtended strand (participates in β ladder)trans-123.8130.5-176.5-58.7178.4000109.4T495 L498 L506 Y536 A537 V539I431-T495 HydrophobicContact CD1-CG2 3.92Å; I431-T495 WeakPolarHBondContact CD1-OG1 3.25Å; I431-L498 HydrophobicContact CD1-CD2 4.37Å; I431-L498 HydrophobicContact CG2-CD2 4.49Å; I431-L506 HydrophobicContact CG2-CD1 3.93Å; I431-L506 HydrophobicContact CG2-CD2 3.8Å; I431-L506 HydrophobicContact CG2-CG 4.4Å; I431-Y536 CarbonylContact O-C 3.56Å; I431-Y536 WeakPolarHBondContact O-CA 3.47Å; I431-A537 PolarHBondContact N-O 3.2Å; I431-A537 PolarHBondContact O-N 3.42Å; I431-V539 HydrophobicContact CD1-CB 4.3Å; I431-V539 HydrophobicContact CD1-CG2 3.8Å
432P84.9Confident82.9Confident4 Ų446.2 Ų46.23%0.02624%0.24CC..SBendcis-73.5164.7-8.933.3-34.7000111.1L506 G511 F513 Y536P432-L506 HydrophobicContact CB-CD2 4.25Å; P432-G511 WeakPolarHBondContact CB-O 3.49Å; P432-G511 VanDerWaalsContact CG-O 3.26Å; P432-G511 WeakPolarHBondContact CG-O 3.47Å; P432-F513 HydrophobicContact CG-CB 4.43Å; P432-Y536 HydrophobicContact CG-CD1 4.44Å; P432-Y536 HydrophobicContact CG-CE1 4.34Å
433K82.9Confident84.3Confident17 Ų1748 Ų487%0.07425%0.253CS..  trans-54.7146.9171.289.7175.9160.7430111.6V397 W414 D416 V436 L441V397-K433 HydrophobicContact CG1-CB 4.32Å; V397-K433 HydrophobicContact CG1-CD 3.81Å; W414-K433 PolarHBondContact O-N 2.76Å; D416-K433 WeakPolarHBondContact OD1-CB 3.39Å; K433-V436 HydrophobicContact CD-CB 4.18Å; K433-V436 PolarHBondContact NZ-O 3.48Å; K433-L441 HydrophobicContact CD-CD2 3.68Å
434T78.5Confident85.4Confident94 Ų9445 Ų4558%0.57724%0.24SC*.  trans-117.5-15.4171.759.60000112.9D416 Y536D416-T434 PolarHBondContact OD2-N 3.48Å; D416-T434 PolarHBondContact OD2-OG1 2.95Å; T434-Y536 HydrophobicContact CG2-CD1 4.29Å; T434-Y536 HydrophobicContact CG2-CE1 3.62Å
435S83.7Confident86.4Confident14 Ų1444.1 Ų44.110%0.09824%0.235CC..SBendtrans-79.9-22.2-167.467.50000116V397 D416 K477V397-S435 WeakPolarHBondContact CG2-OG 3.2Å; D416-S435 WeakPolarHBondContact OD1-CB 3.39Å; D416-S435 PolarHBondContact OD1-OG 3.21Å; D416-S435 PolarHBondContact OD2-N 3.43Å; S435-K477 WeakPolarHBondContact O-CE 3.26Å; S435-K477 PolarHBondContact O-NZ 3.35Å
436V85.1Confident87.3Confident13 Ų1346.7 Ų46.78%0.07925%0.247CC..SBendtrans-127147.8-174176.80000110.6V397 K433 L441 T467 I479V397-V436 HydrophobicContact CG2-CG2 4Å; K433-V436 HydrophobicContact CD-CB 4.18Å; K433-V436 PolarHBondContact NZ-O 3.48Å; V436-L441 HydrophobicContact CG1-CB 4.34Å; V436-L441 HydrophobicContact CG1-CD1 4.47Å; V436-T467 HydrophobicContact CG2-CG2 3.7Å; V436-I479 HydrophobicContact CG1-CD1 3.59Å; V436-I479 HydrophobicContact CG2-CD1 4.4Å
437H86.6Confident88.1Confident154 Ų15453.5 Ų53.571%0.71327%0.27SS*.  trans-66.3137.9171.6-72.7-70.7000111.6E439 T440 L441H437-E439 PolarHBondContact O-N 2.74Å; H437-T440 PolarHBondContact O-N 2.98Å; H437-L441 PolarHBondContact O-N 3.48Å; H437-L441 VanDerWaalsContact O-N 3.09Å
438L85Confident88.7Confident42 Ų4251.8 Ų51.822%0.2226%0.26CS..Hα-helixtrans-63.1-40.9-172.1-171.165.3000113.3L441 H442 W508L438-L441 PolarHBondContact O-N 3.23Å; L438-H442 PolarHBondContact O-N 3.49Å; L438-W508 HydrophobicContact CD1-CD2 3.87Å; L438-W508 HydrophobicContact CD1-CE3 3.87Å; L438-W508 HydrophobicContact CD1-CH2 3.74Å; L438-W508 HydrophobicContact CD1-CZ2 3.64Å; L438-W508 HydrophobicContact CD1-CZ3 3.82Å; L438-W508 WeakPolarHBondContact CD2-O 3.21Å; L438-W508 HydrophobicContact CG-CZ2 4.14Å
439E87.6Confident89Confident168 Ų16851.8 Ų51.879%0.78526%0.26SS*.Hα-helixtrans-63.5-42.8178.7-64.1-177.6173.900112.2H437 H442 S443H437-E439 PolarHBondContact O-N 2.74Å; E439-H442 WeakPolarHBondContact O-CB 3.45Å; E439-H442 PolarHBondContact O-N 2.82Å; E439-S443 PolarHBondContact O-N 2.85Å
440T89.1Confident89.2Confident64 Ų6456.9 Ų56.939%0.39328%0.283SS..Hα-helixtrans-62.6-45.1175.9-500000110.8H437 H442 S443 I444 I479H437-T440 PolarHBondContact O-N 2.98Å; T440-H442 VanDerWaalsContact C-N 3.3Å; T440-H442 PolarHBondContact O-N 2.82Å; T440-S443 PolarHBondContact O-N 2.91Å; T440-I444 HydrophobicContact CG2-CD1 4.23Å; T440-I444 WeakPolarHBondContact O-CG1 3.36Å; T440-I444 PolarHBondContact O-N 3.17Å; T440-I444 VanDerWaalsContact O-N 3.09Å; T440-I479 HydrophobicContact CG2-CD1 3.6Å
441L89.9Confident89.4Confident0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-60.9-42.7176.3-16676000111.1V397 V399 W414 K433 V436 H437 L438 S443 I444 C445 L465 W508V397-L441 HydrophobicContact CG1-CD1 4.44Å; V399-L441 HydrophobicContact CG2-CD1 3.74Å; V399-L441 HydrophobicContact CG2-CD2 3.47Å; V399-L441 VanDerWaalsContact CG2-CD2 3.47Å; V399-L441 HydrophobicContact CG2-CG 3.9Å; W414-L441 HydrophobicContact CB-CD2 4.19Å; K433-L441 HydrophobicContact CD-CD2 3.68Å; V436-L441 HydrophobicContact CG1-CB 4.34Å; V436-L441 HydrophobicContact CG1-CD1 4.47Å; H437-L441 PolarHBondContact O-N 3.48Å; H437-L441 VanDerWaalsContact O-N 3.09Å; L438-L441 PolarHBondContact O-N 3.23Å; L441-S443 PolarHBondContact O-N 3.07Å; L441-I444 PolarHBondContact O-N 3.41Å; L441-C445 WeakPolarHBondContact O-CB 3.33Å; L441-C445 PolarHBondContact O-N 2.86Å; L441-C445 PolarHBondContact O-SG 3.4Å; L441-L465 HydrophobicContact CD1-CD1 3.28Å; L441-W508 HydrophobicContact CB-CH2 4.06Å; L441-W508 HydrophobicContact CD2-CH2 3.44Å; L441-W508 VanDerWaalsContact CD2-CH2 3.44Å; L441-W508 HydrophobicContact CD2-CZ3 3.84Å; L441-W508 HydrophobicContact CG-CH2 3.93Å
442H90.1Very high89.5Confident76 Ų7656.7 Ų56.735%0.35229%0.289SS..Hα-helixtrans-58.1-50.2177.5-164.359000111.1L438 E439 T440 I444 C445 M446 W508L438-H442 PolarHBondContact O-N 3.49Å; E439-H442 WeakPolarHBondContact O-CB 3.45Å; E439-H442 PolarHBondContact O-N 2.82Å; T440-H442 VanDerWaalsContact C-N 3.3Å; T440-H442 PolarHBondContact O-N 2.82Å; H442-I444 VanDerWaalsContact C-N 3.32Å; H442-I444 PolarHBondContact O-N 3.23Å; H442-C445 PolarHBondContact O-N 2.94Å; H442-M446 WeakPolarHBondContact O-CB 3.21Å; H442-M446 VanDerWaalsContact O-CG 3.29Å; H442-M446 WeakPolarHBondContact O-CG 3.33Å; H442-M446 PolarHBondContact O-N 2.91Å; H442-W508 HydrophobicContact CB-CZ2 3.58Å; H442-W508 AromaticContact CG-NE1 3.71Å; H442-W508 AromaticContact ND1-CE2 3.57Å; H442-W508 AromaticContact ND1-CZ2 3.68Å; H442-W508 AromaticContact ND1-NE1 3.22Å; H442-W508 PolarHBondContact ND1-NE1 2.84Å
443S92.6Very high89.6Confident54 Ų5462.3 Ų62.338%0.37831%0.313SS..Hα-helixtrans-57.9-44.4-179.6-176.40000111.9E439 T440 L441 R447E439-S443 PolarHBondContact O-N 2.85Å; T440-S443 PolarHBondContact O-N 2.91Å; L441-S443 PolarHBondContact O-N 3.07Å; S443-R447 VanDerWaalsContact O-CG 3.3Å; S443-R447 WeakPolarHBondContact O-CG 3.38Å; S443-R447 PolarHBondContact O-N 2.8Å
444I93.4Very high89.8Confident41 Ų4167.2 Ų67.221%0.2134%0.336CS..Hα-helixtrans-62.5-50.6176.3-66167.6000110.4T440 L441 H442 M446 R447 V448 L465 I479T440-I444 HydrophobicContact CG2-CD1 4.23Å; T440-I444 WeakPolarHBondContact O-CG1 3.36Å; T440-I444 PolarHBondContact O-N 3.17Å; T440-I444 VanDerWaalsContact O-N 3.09Å; L441-I444 PolarHBondContact O-N 3.41Å; H442-I444 VanDerWaalsContact C-N 3.32Å; H442-I444 PolarHBondContact O-N 3.23Å; I444-M446 VanDerWaalsContact C-N 3.33Å; I444-M446 PolarHBondContact O-N 3.18Å; I444-R447 PolarHBondContact O-N 3.44Å; I444-R447 VanDerWaalsContact O-N 3.16Å; I444-V448 HydrophobicContact CG2-CG2 4.42Å; I444-V448 WeakPolarHBondContact O-CG2 3.22Å; I444-V448 PolarHBondContact O-N 2.91Å; I444-L465 HydrophobicContact CG2-CD1 4.42Å; I444-L465 HydrophobicContact CG2-CD2 4.02Å; I444-I479 HydrophobicContact CD1-CB 4.34Å; I444-I479 HydrophobicContact CD1-CD1 4.17Å; I444-I479 HydrophobicContact CD1-CG2 3.8Å
445C93.3Very high90.2Very high0 Ų068.1 Ų68.10%034%0.337CS..Hα-helixtrans-58.4-43.9-179.4-69.50000111.9M401 I411 L441 H442 R447 V448 A449M401-C445 HydrophobicContact CE-CB 4.45Å; M401-C445 HydrophobicContact SD-CB 3.62Å; I411-C445 HydrophobicContact CD1-CB 4.15Å; L441-C445 WeakPolarHBondContact O-CB 3.33Å; L441-C445 PolarHBondContact O-N 2.86Å; L441-C445 PolarHBondContact O-SG 3.4Å; H442-C445 PolarHBondContact O-N 2.94Å; C445-R447 PolarHBondContact O-N 2.79Å; C445-V448 PolarHBondContact O-N 2.85Å; C445-A449 VanDerWaalsContact O-CB 3.27Å; C445-A449 WeakPolarHBondContact O-CB 3.39Å; C445-A449 PolarHBondContact O-N 2.86Å
446M94.1Very high90.2Very high75 Ų7576.1 Ų76.137%0.36937%0.367SS..Hα-helixtrans-67.3-36178.4-66.7-51.7-64.300112.5V409 H442 I444 H450V409-M446 HydrophobicContact CB-CE 4.15Å; V409-M446 HydrophobicContact CB-SD 4.18Å; V409-M446 HydrophobicContact CG1-SD 4.01Å; V409-M446 HydrophobicContact CG2-CE 4.25Å; H442-M446 WeakPolarHBondContact O-CB 3.21Å; H442-M446 VanDerWaalsContact O-CG 3.29Å; H442-M446 WeakPolarHBondContact O-CG 3.33Å; H442-M446 PolarHBondContact O-N 2.91Å; I444-M446 VanDerWaalsContact C-N 3.33Å; I444-M446 PolarHBondContact O-N 3.18Å; M446-H450 VanDerWaalsContact O-CB 3.31Å; M446-H450 WeakPolarHBondContact O-CB 3.23Å; M446-H450 PolarHBondContact O-N 3.29Å
447R95.1Very high90.3Very high185 Ų18577.5 Ų77.570%0.69837%0.373SS*.Hα-helixtrans-65.3-44.9173.2-73.5175.2-175.3-161.80.6111.7S443 I444 C445 H450 A451S443-R447 VanDerWaalsContact O-CG 3.3Å; S443-R447 WeakPolarHBondContact O-CG 3.38Å; S443-R447 PolarHBondContact O-N 2.8Å; I444-R447 PolarHBondContact O-N 3.44Å; I444-R447 VanDerWaalsContact O-N 3.16Å; C445-R447 PolarHBondContact O-N 2.79Å; R447-H450 PolarHBondContact O-N 2.98Å; R447-A451 PolarHBondContact O-N 2.91Å
448V95Very high90.4Very high35 Ų3575.1 Ų75.121%0.21237%0.365CS..Hα-helixtrans-61.8-48175.9173.70000110.3M401 I444 C445 H450 A451 C452 V463 L484M401-V448 HydrophobicContact CE-CG1 4.29Å; I444-V448 HydrophobicContact CG2-CG2 4.42Å; I444-V448 WeakPolarHBondContact O-CG2 3.22Å; I444-V448 PolarHBondContact O-N 2.91Å; C445-V448 PolarHBondContact O-N 2.85Å; V448-H450 VanDerWaalsContact C-N 3.3Å; V448-H450 PolarHBondContact O-N 2.88Å; V448-A451 WeakPolarHBondContact O-CB 3.46Å; V448-A451 PolarHBondContact O-N 3.42Å; V448-A451 VanDerWaalsContact O-N 3.13Å; V448-C452 PolarHBondContact O-N 3.31Å; V448-C452 PolarHBondContact O-SG 2.62Å; V448-C452 VanDerWaalsContact O-SG 3.34Å; V448-V463 HydrophobicContact CB-CG2 4.48Å; V448-V463 HydrophobicContact CG1-CG2 3.86Å; V448-L484 HydrophobicContact CG1-CD1 3.66Å
449A94Very high90.7Very high2 Ų274.1 Ų74.12%0.01737%0.365CS..Hα-helixtrans-59.4-39.8177.500000112.5M401 L403 V409 C445 C452 K453M401-A449 HydrophobicContact SD-CB 4.39Å; L403-A449 HydrophobicContact CD2-CB 3.57Å; V409-A449 HydrophobicContact CB-CB 4.32Å; V409-A449 HydrophobicContact CG1-CB 3.69Å; V409-A449 HydrophobicContact CG2-CB 3.66Å; C445-A449 VanDerWaalsContact O-CB 3.27Å; C445-A449 WeakPolarHBondContact O-CB 3.39Å; C445-A449 PolarHBondContact O-N 2.86Å; A449-C452 PolarHBondContact O-N 2.86Å; A449-K453 WeakPolarHBondContact O-CB 3.37Å; A449-K453 PolarHBondContact O-N 3.01Å
450H93.5Very high91.1Very high107 Ų10770.1 Ų70.150%0.49534%0.343SS..Hα-helixtrans-63.9-43.9174.3-176.5-91.2000112.1M446 R447 V448 K453 Q454M446-H450 VanDerWaalsContact O-CB 3.31Å; M446-H450 WeakPolarHBondContact O-CB 3.23Å; M446-H450 PolarHBondContact O-N 3.29Å; R447-H450 PolarHBondContact O-N 2.98Å; V448-H450 VanDerWaalsContact C-N 3.3Å; V448-H450 PolarHBondContact O-N 2.88Å; H450-K453 WeakPolarHBondContact O-CB 3.48Å; H450-K453 PolarHBondContact O-N 3.36Å; H450-Q454 VanDerWaalsContact CE1-CD 3.47Å; H450-Q454 PolarHBondContact CE1-NE2 2.58Å; H450-Q454 WeakPolarHBondContact O-CG 3.31Å; H450-Q454 PolarHBondContact O-N 3.45Å
451A94.5Very high91.4Very high41 Ų4167.1 Ų67.134%0.33933%0.325SS..Hα-helixtrans-63-42.6174.900000111.6R447 V448 K453 Q454 N455R447-A451 PolarHBondContact O-N 2.91Å; V448-A451 WeakPolarHBondContact O-CB 3.46Å; V448-A451 PolarHBondContact O-N 3.42Å; V448-A451 VanDerWaalsContact O-N 3.13Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 2.83Å; A451-Q454 PolarHBondContact O-N 3.35Å; A451-N455 PolarHBondContact O-N 2.94Å; A451-N455 VanDerWaalsContact O-N 3.09Å; A451-N455 PolarHBondContact O-ND2 3.17Å
452C91.4Very high91.6Very high5 Ų567.4 Ų67.43%0.03433%0.327CS..Hα-helixtrans-57.7-44.2173.3-71.70000111.5L403 V448 A449 N455 Y456 I457L403-C452 HydrophobicContact CD1-CB 3.35Å; V448-C452 PolarHBondContact O-N 3.31Å; V448-C452 PolarHBondContact O-SG 2.62Å; V448-C452 VanDerWaalsContact O-SG 3.34Å; A449-C452 PolarHBondContact O-N 2.86Å; C452-N455 CarbonylContact O-C 3.5Å; C452-N455 PolarHBondContact O-N 3.01Å; C452-N455 VanDerWaalsContact O-N 3.15Å; C452-Y456 PolarHBondContact O-N 3.17Å; C452-Y456 VanDerWaalsContact O-N 3.1Å; C452-I457 HydrophobicContact CB-CB 3.97Å; C452-I457 HydrophobicContact CB-CD1 4.48Å; C452-I457 HydrophobicContact CB-CG2 4.36Å; C452-I457 PolarHBondContact O-N 3.2Å
453K87Confident91.8Very high121 Ų12164 Ų6453%0.52631%0.311SS..Hα-helixtrans-61.4-44.8176.9-176179.1-177.5174.60112.4A449 H450 A451 N455 Y456A449-K453 WeakPolarHBondContact O-CB 3.37Å; A449-K453 PolarHBondContact O-N 3.01Å; H450-K453 WeakPolarHBondContact O-CB 3.48Å; H450-K453 PolarHBondContact O-N 3.36Å; A451-K453 VanDerWaalsContact C-N 3.31Å; A451-K453 PolarHBondContact O-N 2.83Å; K453-N455 PolarHBondContact O-N 3.15Å; K453-Y456 PolarHBondContact O-N 3.01Å
454Q86.8Confident91.8Very high121 Ų12161.5 Ų61.557%0.56529%0.294SS*.Hα-helixtrans-61.4-30176-72.3179-35.900112.6H450 A451H450-Q454 VanDerWaalsContact CE1-CD 3.47Å; H450-Q454 PolarHBondContact CE1-NE2 2.58Å; H450-Q454 WeakPolarHBondContact O-CG 3.31Å; H450-Q454 PolarHBondContact O-N 3.45Å; A451-Q454 PolarHBondContact O-N 3.35Å
455N86.7Confident91.8Very high113 Ų11359.7 Ų59.760%0.60428%0.284SS*.THydrogen-bonded Turntrans-94.112.3176.9-69.4-77.2000113.4A451 C452 K453 I457A451-N455 PolarHBondContact O-N 2.94Å; A451-N455 VanDerWaalsContact O-N 3.09Å; A451-N455 PolarHBondContact O-ND2 3.17Å; C452-N455 CarbonylContact O-C 3.5Å; C452-N455 PolarHBondContact O-N 3.01Å; C452-N455 VanDerWaalsContact O-N 3.15Å; K453-N455 PolarHBondContact O-N 3.15Å; N455-I457 VanDerWaalsContact C-N 3.28Å; N455-I457 HydrophobicContact CB-CD1 4.28Å; N455-I457 HydrophobicContact CB-CG1 4.38Å; N455-I457 PolarHBondContact O-N 3.13Å
456Y83.4Confident91.7Very high181 Ų18159.7 Ų59.771%0.7128%0.284SS*.THydrogen-bonded Turntrans59.930.8177.7-51.2-85.6000114.7F144 C452 K453F144-Y456 HydrophobicContact CE1-CD1 4.49Å; F144-Y456 HydrophobicContact CE1-CE1 4.42Å; C452-Y456 PolarHBondContact O-N 3.17Å; C452-Y456 VanDerWaalsContact O-N 3.1Å; K453-Y456 PolarHBondContact O-N 3.01Å
457I86.8Confident91.6Very high43 Ų4356.2 Ų56.222%0.22127%0.268CS..  trans-88.2123.9174.9-59.5170.1000108.9C452 N455 V461 I486C452-I457 HydrophobicContact CB-CB 3.97Å; C452-I457 HydrophobicContact CB-CD1 4.48Å; C452-I457 HydrophobicContact CB-CG2 4.36Å; C452-I457 PolarHBondContact O-N 3.2Å; N455-I457 VanDerWaalsContact C-N 3.28Å; N455-I457 HydrophobicContact CB-CD1 4.28Å; N455-I457 HydrophobicContact CB-CG1 4.38Å; N455-I457 PolarHBondContact O-N 3.13Å; I457-V461 HydrophobicContact CG2-CG2 4.24Å; I457-I486 HydrophobicContact CD1-CD1 3.94Å; I457-I486 HydrophobicContact CG1-CD1 4.39Å; I457-I486 HydrophobicContact CG2-CD1 4.01Å; I457-I486 HydrophobicContact CG2-CG1 4.26Å; I457-I486 HydrophobicContact CG2-CG2 4.2Å
458I89.1Confident91.3Very high104 Ų10447.6 Ų47.653%0.53324%0.235SC..  trans-132.3145.1-177.2-59.8173.1000108.6L403 P405L403-I458 WeakPolarHBondContact O-CG2 3.48Å; P405-I458 HydrophobicContact CG-CG2 4.01Å
459G92.6Very high90.9Very high21 Ų2148.5 Ų48.522%0.21624%0.241CC..EExtended strand (participates in β ladder)trans111.8-158.1-179.800000112.6L403L403-G459 PolarHBondContact N-O 3.34Å; L403-G459 PolarHBondContact O-N 3Å
460Y95.4Very high90.2Very high84 Ų8449 Ų4933%0.32924%0.243SC..EExtended strand (participates in β ladder)trans-73.3137.4179.9-61.4-78.9000111.3M401 L402 L412 G487 F488 L492M401-Y460 CarbonylContact O-C 3.59Å; M401-Y460 WeakPolarHBondContact O-CA 3.41Å; L402-Y460 HydrophobicContact CB-CD1 4.44Å; L402-Y460 HydrophobicContact CB-CE1 4.45Å; L402-Y460 HydrophobicContact CD1-CD1 4.04Å; L402-Y460 HydrophobicContact CD1-CE1 3.95Å; L402-Y460 HydrophobicContact CD1-CE2 4.48Å; L402-Y460 HydrophobicContact CD1-CG 4.36Å; L412-Y460 HydrophobicContact CD1-CD1 3.88Å; L412-Y460 HydrophobicContact CD1-CE1 3.66Å; Y460-G487 VanDerWaalsContact CB-O 3.26Å; Y460-G487 WeakPolarHBondContact CB-O 3.45Å; Y460-G487 WeakPolarHBondContact O-CA 3.36Å; Y460-G487 PolarHBondContact O-N 3.2Å; Y460-F488 AromaticContact CD1-CD2 3.84Å; Y460-F488 HydrophobicContact CD1-CD2 3.84Å; Y460-F488 HydrophobicContact CD1-CE2 4.42Å; Y460-F488 HydrophobicContact CD2-CB 4.15Å; Y460-F488 AromaticContact CD2-CD2 3.89Å; Y460-F488 HydrophobicContact CD2-CD2 3.89Å; Y460-F488 AromaticContact CE1-CD2 3.79Å; Y460-F488 HydrophobicContact CE1-CD2 3.79Å; Y460-F488 HydrophobicContact CE1-CE2 4.04Å; Y460-F488 AromaticContact CE2-CD2 3.85Å; Y460-F488 HydrophobicContact CE2-CD2 3.85Å; Y460-F488 HydrophobicContact CG-CB 4.33Å; Y460-F488 AromaticContact CG-CD2 3.89Å; Y460-F488 HydrophobicContact CG-CD2 3.89Å; Y460-F488 AromaticContact CZ-CD2 3.8Å; Y460-L492 HydrophobicContact CD1-CD2 3.6Å; Y460-L492 HydrophobicContact CE1-CD2 3.94Å; Y460-L492 HydrophobicContact CG-CD2 4.46Å
461V95.1Very high89.2Confident1 Ų150.7 Ų50.71%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-139.2131.2178177.60000108.6D400 M401 L403 I457 V463 L484 D485D400-V461 CarbonylContact C-O 3.52Å; D400-V461 WeakPolarHBondContact CA-O 3.34Å; M401-V461 PolarHBondContact N-O 3.47Å; M401-V461 PolarHBondContact O-N 3.01Å; L403-V461 HydrophobicContact CD1-CG2 3.75Å; L403-V461 HydrophobicContact CG-CG2 4.14Å; I457-V461 HydrophobicContact CG2-CG2 4.24Å; V461-V463 HydrophobicContact CG1-CG2 4.47Å; V461-L484 HydrophobicContact CG1-CD1 3.3Å; V461-L484 HydrophobicContact CG1-CG 4.02Å; V461-D485 CarbonylContact C-O 3.49Å; V461-D485 WeakPolarHBondContact CA-O 3.2Å
462S94.1Very high87.8Confident6 Ų653.3 Ų53.34%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-111.2131.4173.2179.50000109.7T398 V399 D400 L484 D485T398-S462 PolarHBondContact OG1-OG 2.95Å; V399-S462 CarbonylContact O-C 3.42Å; V399-S462 WeakPolarHBondContact O-CA 3.15Å; D400-S462 VanDerWaalsContact OD1-CB 3.3Å; D400-S462 WeakPolarHBondContact OD1-CB 3.36Å; D400-S462 PolarHBondContact OD1-OG 3.1Å; S462-L484 WeakPolarHBondContact O-CA 3.39Å; S462-D485 PolarHBondContact N-O 3.15Å; S462-D485 PolarHBondContact O-N 3.02Å
463V94.3Very high86.6Confident5 Ų556.3 Ų56.33%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-111.5121.7179.9-1760000109T398 V399 M401 V448 V461 L465 L484T398-V463 WeakPolarHBondContact CA-O 3.49Å; V399-V463 PolarHBondContact N-O 3.27Å; V399-V463 PolarHBondContact O-N 2.91Å; M401-V463 HydrophobicContact CE-CG2 3.43Å; M401-V463 VanDerWaalsContact CE-CG2 3.43Å; V448-V463 HydrophobicContact CB-CG2 4.48Å; V448-V463 HydrophobicContact CG1-CG2 3.86Å; V461-V463 HydrophobicContact CG1-CG2 4.47Å; V463-L465 HydrophobicContact CG1-CD2 3.75Å; V463-L465 HydrophobicContact CG1-CG 4.11Å; V463-L484 HydrophobicContact CG2-CD1 3.7Å
464G91.6Very high85.2Confident1 Ų158.8 Ų58.81%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-91.5130170.200000111.6I482 D483G464-I482 PolarHBondContact O-N 3.06Å; G464-D483 VanDerWaalsContact CA-OD1 3.23Å; G464-D483 WeakPolarHBondContact CA-OD1 3.48Å; G464-D483 PolarHBondContact N-O 3.44Å; G464-D483 VanDerWaalsContact N-O 3.08Å; G464-D483 PolarHBondContact N-OD1 3.19Å; G464-D483 VanDerWaalsContact N-OD1 3.14Å
465L93.4Very high84Confident2 Ų259 Ų591%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-127.4147.8178.8-54.7173.4000110.6Y396 V397 L441 I444 V463 I479 W480 I482Y396-L465 CarbonylContact C-O 3.58Å; Y396-L465 VanDerWaalsContact CA-O 3.3Å; Y396-L465 WeakPolarHBondContact CA-O 3.38Å; V397-L465 HydrophobicContact CB-CB 4.31Å; V397-L465 PolarHBondContact N-O 3.05Å; V397-L465 PolarHBondContact O-N 3.13Å; L441-L465 HydrophobicContact CD1-CD1 3.28Å; I444-L465 HydrophobicContact CG2-CD1 4.42Å; I444-L465 HydrophobicContact CG2-CD2 4.02Å; V463-L465 HydrophobicContact CG1-CD2 3.75Å; V463-L465 HydrophobicContact CG1-CG 4.11Å; L465-I479 HydrophobicContact CB-CG2 4.3Å; L465-I479 HydrophobicContact CD1-CG2 4.46Å; L465-W480 CarbonylContact C-O 3.36Å; L465-W480 VanDerWaalsContact CA-O 3.22Å; L465-W480 WeakPolarHBondContact CA-O 3.38Å; L465-I482 WeakPolarHBondContact O-CD1 3.37Å
466A91.9Very high83Confident0 Ų062.4 Ų62.40%031%0.312CS..EExtended strand (participates in β ladder)trans-113.3131.816800000108.8P389 V394 Y396 I479 W480 I482P389-A466 HydrophobicContact CG-CB 4.11Å; V394-A466 HydrophobicContact CG1-CB 3.69Å; Y396-A466 HydrophobicContact CD1-CB 4.22Å; Y396-A466 HydrophobicContact CE1-CB 4.08Å; A466-I479 CarbonylContact O-C 3.46Å; A466-I479 VanDerWaalsContact O-CA 3.26Å; A466-I479 WeakPolarHBondContact O-CA 3.27Å; A466-W480 PolarHBondContact N-O 2.88Å; A466-W480 PolarHBondContact O-N 3.42Å; A466-I482 HydrophobicContact CB-CD1 3.58Å; A466-I482 HydrophobicContact CB-CG1 3.89Å; A466-I482 VanDerWaalsContact N-CD1 3.3Å
467T91.4Very high82.7Confident3 Ų359.3 Ų59.32%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-117.6136.5166.9-170.20000110.7T395 V436 K477 Q478T395-T467 PolarHBondContact N-O 2.9Å; T395-T467 PolarHBondContact O-N 3.02Å; V436-T467 HydrophobicContact CG2-CG2 3.7Å; T467-K477 WeakPolarHBondContact OG1-CE 3.42Å; T467-K477 WeakPolarHBondContact OG1-CG 3.26Å; T467-Q478 VanDerWaalsContact CA-O 3.25Å; T467-Q478 WeakPolarHBondContact CA-O 3.27Å; T467-Q478 PolarHBondContact OG1-O 3.22Å
468F89.8Confident82.6Confident3 Ų359 Ų591%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-156.5165.1-176.261.8-83.3000109.8P389 P390 V394 D470 Q478 W480P389-F468 HydrophobicContact CB-CD1 3.58Å; P389-F468 HydrophobicContact CB-CD2 4.26Å; P389-F468 HydrophobicContact CB-CE1 3.66Å; P389-F468 HydrophobicContact CB-CE2 4.33Å; P389-F468 HydrophobicContact CB-CG 3.9Å; P389-F468 HydrophobicContact CB-CZ 4.04Å; P389-F468 HydrophobicContact CG-CD1 4.21Å; P389-F468 HydrophobicContact CG-CE1 4.22Å; P390-F468 HydrophobicContact CG-CE2 3.82Å; P390-F468 HydrophobicContact CG-CZ 4.44Å; V394-F468 HydrophobicContact CG2-CB 4.24Å; F468-D470 HydrophobicContact CD2-CB 4.49Å; F468-D470 HydrophobicContact CE2-CB 4.1Å; F468-Q478 HydrophobicContact CE1-CB 4.09Å; F468-Q478 HydrophobicContact CE2-CB 4.07Å; F468-Q478 HydrophobicContact CE2-CG 4.49Å; F468-Q478 HydrophobicContact CZ-CB 3.8Å; F468-Q478 PolarHBondContact N-O 3.23Å; F468-Q478 PolarHBondContact O-N 3.11Å; F468-W480 AromaticContact CE1-CD1 3.78Å; F468-W480 AromaticContact CE1-CD2 3.66Å; F468-W480 HydrophobicContact CE1-CD2 3.66Å; F468-W480 AromaticContact CE1-CE2 3.68Å; F468-W480 HydrophobicContact CE1-CE3 4.26Å; F468-W480 AromaticContact CE1-CG 3.75Å; F468-W480 HydrophobicContact CE1-CG 3.75Å; F468-W480 HydrophobicContact CE1-CZ2 4.29Å; F468-W480 AromaticContact CE1-NE1 3.7Å; F468-W480 AromaticContact CZ-CD2 3.86Å; F468-W480 HydrophobicContact CZ-CD2 3.86Å; F468-W480 AromaticContact CZ-CE2 3.37Å; F468-W480 HydrophobicContact CZ-CE3 4.49Å; F468-W480 HydrophobicContact CZ-CG 4.26Å; F468-W480 HydrophobicContact CZ-CH2 4.29Å; F468-W480 AromaticContact CZ-CZ2 3.62Å; F468-W480 HydrophobicContact CZ-CZ2 3.62Å; F468-W480 AromaticContact CZ-NE1 3.44Å
469V85.6Confident82.7Confident55 Ų5556.3 Ų56.333%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-102.8126173.4-177.30000107.9S391 Q476S391-V469 PolarHBondContact OG-O 3.07Å; V469-Q476 WeakPolarHBondContact CG2-O 3.35Å
470D79.6Confident82.6Confident12 Ų1259.4 Ų59.46%0.06429%0.291CS..EExtended strand (participates in β ladder)trans-95.7103.3176.5-179.92.5000109F468 S472 T473 Q478F468-D470 HydrophobicContact CD2-CB 4.49Å; F468-D470 HydrophobicContact CE2-CB 4.1Å; D470-S472 PolarHBondContact O-N 3.32Å; D470-S472 WeakPolarHBondContact OD1-CB 3.46Å; D470-S472 PolarHBondContact OD1-N 2.9Å; D470-S472 PolarHBondContact OD1-OG 3.46Å; D470-S472 PolarHBondContact OD2-OG 3.27Å; D470-T473 WeakPolarHBondContact OD2-CB 3.4Å; D470-T473 VanDerWaalsContact OD2-CG2 3.23Å; D470-T473 WeakPolarHBondContact OD2-CG2 3.44Å; D470-T473 PolarHBondContact OD2-OG1 2.94Å; D470-Q478 HydrophobicContact CB-CG 4.4Å; D470-Q478 VanDerWaalsContact CB-NE2 3.3Å; D470-Q478 PolarHBondContact OD2-NE2 2.83Å
471H72.8Confident82.4Confident142 Ų14258.7 Ų58.766%0.65731%0.309SS*.THydrogen-bonded Turntrans-69.3-19.1-179.8-62.1-67000112.7
472S66.3Low82.1Confident97 Ų9760.5 Ų60.568%0.67832%0.318SS*.THydrogen-bonded Turntrans-79.7-33.7-178.473.50000112.9D470D470-S472 PolarHBondContact O-N 3.32Å; D470-S472 WeakPolarHBondContact OD1-CB 3.46Å; D470-S472 PolarHBondContact OD1-N 2.9Å; D470-S472 PolarHBondContact OD1-OG 3.46Å; D470-S472 PolarHBondContact OD2-OG 3.27Å
473T65.5Low81.8Confident68 Ų6863.4 Ų63.442%0.41733%0.333SS..THydrogen-bonded Turntrans-99.54.9-176.456.80000114.3D470 K475 Q478D470-T473 WeakPolarHBondContact OD2-CB 3.4Å; D470-T473 VanDerWaalsContact OD2-CG2 3.23Å; D470-T473 WeakPolarHBondContact OD2-CG2 3.44Å; D470-T473 PolarHBondContact OD2-OG1 2.94Å; T473-K475 PolarHBondContact O-N 3.45Å; T473-Q478 PolarHBondContact OG1-NE2 3.29Å
474M58.1Low81.7Confident173 Ų17366.7 Ų66.785%0.85235%0.35SS*.THydrogen-bonded Turntrans54.616.4-174.4-64.9-71-176.800114.1
475K60.1Low81.6Confident126 Ų12668.7 Ų68.755%0.54836%0.361SS..EExtended strand (participates in β ladder)trans-83.5123.2178.5-73.5-178.6-179.7173.80109.9T473 K477 Q478T473-K475 PolarHBondContact O-N 3.45Å; K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 3.11Å; K475-K477 VanDerWaalsContact O-N 3.15Å; K475-Q478 HydrophobicContact CB-CG 4.47Å
476Q65.9Low81.4Confident183 Ų18372.7 Ų72.786%0.85538%0.381SS*.EExtended strand (participates in β ladder)trans-61.6-24.5-172.7-77.3178.1-16.500115V469V469-Q476 WeakPolarHBondContact CG2-O 3.35Å
477K77.4Confident81.3Confident116 Ų11673.7 Ų73.750%0.50439%0.391SS..EExtended strand (participates in β ladder)trans-169.1130.9173.3-156.9160.6-177.41600112.1S435 T467 K475S435-K477 WeakPolarHBondContact O-CE 3.26Å; S435-K477 PolarHBondContact O-NZ 3.35Å; T467-K477 WeakPolarHBondContact OG1-CE 3.42Å; T467-K477 WeakPolarHBondContact OG1-CG 3.26Å; K475-K477 VanDerWaalsContact C-N 3.27Å; K475-K477 PolarHBondContact O-N 3.11Å; K475-K477 VanDerWaalsContact O-N 3.15Å
478Q85.5Confident81.2Confident36 Ų3677.4 Ų77.417%0.16841%0.408CS..EExtended strand (participates in β ladder)trans-108.8156.1173.5-62.1-165.228.900111.1T467 F468 D470 T473 K475T467-Q478 VanDerWaalsContact CA-O 3.25Å; T467-Q478 WeakPolarHBondContact CA-O 3.27Å; T467-Q478 PolarHBondContact OG1-O 3.22Å; F468-Q478 HydrophobicContact CE1-CB 4.09Å; F468-Q478 HydrophobicContact CE2-CB 4.07Å; F468-Q478 HydrophobicContact CE2-CG 4.49Å; F468-Q478 HydrophobicContact CZ-CB 3.8Å; F468-Q478 PolarHBondContact N-O 3.23Å; F468-Q478 PolarHBondContact O-N 3.11Å; D470-Q478 HydrophobicContact CB-CG 4.4Å; D470-Q478 VanDerWaalsContact CB-NE2 3.3Å; D470-Q478 PolarHBondContact OD2-NE2 2.83Å; T473-Q478 PolarHBondContact OG1-NE2 3.29Å; K475-Q478 HydrophobicContact CB-CG 4.47Å
479I90.1Very high81.2Confident49 Ų4978 Ų7825%0.25141%0.412SS..EExtended strand (participates in β ladder)trans-134.1122.9174.5-54.6170000108.6V436 T440 I444 L465 A466V436-I479 HydrophobicContact CG1-CD1 3.59Å; V436-I479 HydrophobicContact CG2-CD1 4.4Å; T440-I479 HydrophobicContact CG2-CD1 3.6Å; I444-I479 HydrophobicContact CD1-CB 4.34Å; I444-I479 HydrophobicContact CD1-CD1 4.17Å; I444-I479 HydrophobicContact CD1-CG2 3.8Å; L465-I479 HydrophobicContact CB-CG2 4.3Å; L465-I479 HydrophobicContact CD1-CG2 4.46Å; A466-I479 CarbonylContact O-C 3.46Å; A466-I479 VanDerWaalsContact O-CA 3.26Å; A466-I479 WeakPolarHBondContact O-CA 3.27Å
480W91.7Very high81.3Confident86 Ų8679 Ų7933%0.32642%0.415SS..EExtended strand (participates in β ladder)trans-111.6143176.7-69.66.1000110.2P389 L465 A466 F468P389-W480 HydrophobicContact CB-CE3 4.42Å; P389-W480 HydrophobicContact CB-CZ3 4.32Å; P389-W480 HydrophobicContact CG-CE3 3.99Å; P389-W480 HydrophobicContact CG-CZ3 4.17Å; L465-W480 CarbonylContact C-O 3.36Å; L465-W480 VanDerWaalsContact CA-O 3.22Å; L465-W480 WeakPolarHBondContact CA-O 3.38Å; A466-W480 PolarHBondContact N-O 2.88Å; A466-W480 PolarHBondContact O-N 3.42Å; F468-W480 AromaticContact CE1-CD1 3.78Å; F468-W480 AromaticContact CE1-CD2 3.66Å; F468-W480 HydrophobicContact CE1-CD2 3.66Å; F468-W480 AromaticContact CE1-CE2 3.68Å; F468-W480 HydrophobicContact CE1-CE3 4.26Å; F468-W480 AromaticContact CE1-CG 3.75Å; F468-W480 HydrophobicContact CE1-CG 3.75Å; F468-W480 HydrophobicContact CE1-CZ2 4.29Å; F468-W480 AromaticContact CE1-NE1 3.7Å; F468-W480 AromaticContact CZ-CD2 3.86Å; F468-W480 HydrophobicContact CZ-CD2 3.86Å; F468-W480 AromaticContact CZ-CE2 3.37Å; F468-W480 HydrophobicContact CZ-CE3 4.49Å; F468-W480 HydrophobicContact CZ-CG 4.26Å; F468-W480 HydrophobicContact CZ-CH2 4.29Å; F468-W480 AromaticContact CZ-CZ2 3.62Å; F468-W480 HydrophobicContact CZ-CZ2 3.62Å; F468-W480 AromaticContact CZ-NE1 3.44Å
481G90.9Very high81.8Confident68 Ų6878.7 Ų78.770%0.70141%0.414SS*.EExtended strand (participates in β ladder)trans-84.3126.5166.100000109.5
482I88.4Confident82.7Confident40 Ų4072.1 Ų72.121%0.20538%0.383CS..EExtended strand (participates in β ladder)trans-104-45.6-173.3-54.3157.6000110.8Y396 G464 L465 A466Y396-I482 HydrophobicContact CD1-CD1 3.26Å; Y396-I482 HydrophobicContact CE1-CD1 3.4Å; Y396-I482 VanDerWaalsContact CE1-CD1 3.4Å; G464-I482 PolarHBondContact O-N 3.06Å; L465-I482 WeakPolarHBondContact O-CD1 3.37Å; A466-I482 HydrophobicContact CB-CD1 3.58Å; A466-I482 HydrophobicContact CB-CG1 3.89Å; A466-I482 VanDerWaalsContact N-CD1 3.3Å
483D88.5Confident83.8Confident66 Ų6668.9 Ų68.935%0.35336%0.362SS..EExtended strand (participates in β ladder)trans-154.2166.8-177.561.533.9000112.7G464G464-D483 VanDerWaalsContact CA-OD1 3.23Å; G464-D483 WeakPolarHBondContact CA-OD1 3.48Å; G464-D483 PolarHBondContact N-O 3.44Å; G464-D483 VanDerWaalsContact N-O 3.08Å; G464-D483 PolarHBondContact N-OD1 3.19Å; G464-D483 VanDerWaalsContact N-OD1 3.14Å
484L90.8Very high84.9Confident75 Ų7565.9 Ų65.939%0.39334%0.344SS..EExtended strand (participates in β ladder)trans-139.7109.5177.6-173.973.7000109.1V448 V461 S462 V463V448-L484 HydrophobicContact CG1-CD1 3.66Å; V461-L484 HydrophobicContact CG1-CD1 3.3Å; V461-L484 HydrophobicContact CG1-CG 4.02Å; S462-L484 WeakPolarHBondContact O-CA 3.39Å; V463-L484 HydrophobicContact CG2-CD1 3.7Å
485D89.8Confident86.4Confident43 Ų4357.7 Ų57.723%0.2330%0.304CS..EExtended strand (participates in β ladder)trans-100.3118.2178.7-87-31.2000110.8V461 S462 G487V461-D485 CarbonylContact C-O 3.49Å; V461-D485 WeakPolarHBondContact CA-O 3.2Å; S462-D485 PolarHBondContact N-O 3.15Å; S462-D485 PolarHBondContact O-N 3.02Å; D485-G487 PolarHBondContact O-N 2.7Å
486I90.2Very high87.8Confident85 Ų8555.8 Ų55.844%0.43630%0.296SS..EExtended strand (participates in β ladder)trans-88.6108.9176.1-54.9171.8000109.4R304 I457R304-I486 PolarHBondContact NH2-O 3.33Å; I457-I486 HydrophobicContact CD1-CD1 3.94Å; I457-I486 HydrophobicContact CG1-CD1 4.39Å; I457-I486 HydrophobicContact CG2-CD1 4.01Å; I457-I486 HydrophobicContact CG2-CG1 4.26Å; I457-I486 HydrophobicContact CG2-CG2 4.2Å
487G89.6Confident88.8Confident21 Ų2150.2 Ų50.222%0.21627%0.271CS..SBendtrans144.7178.1175.400000112.4Y460 D485 S489Y460-G487 VanDerWaalsContact CB-O 3.26Å; Y460-G487 WeakPolarHBondContact CB-O 3.45Å; Y460-G487 WeakPolarHBondContact O-CA 3.36Å; Y460-G487 PolarHBondContact O-N 3.2Å; D485-G487 PolarHBondContact O-N 2.7Å; G487-S489 PolarHBondContact O-N 2.94Å
488F89.6Confident89.1Confident81 Ų8145.3 Ų45.336%0.35525%0.251SS..  trans-72.6117.2175.3-164.7-98.1000108.9Y460 L492 A493Y460-F488 AromaticContact CD1-CD2 3.84Å; Y460-F488 HydrophobicContact CD1-CD2 3.84Å; Y460-F488 HydrophobicContact CD1-CE2 4.42Å; Y460-F488 HydrophobicContact CD2-CB 4.15Å; Y460-F488 AromaticContact CD2-CD2 3.89Å; Y460-F488 HydrophobicContact CD2-CD2 3.89Å; Y460-F488 AromaticContact CE1-CD2 3.79Å; Y460-F488 HydrophobicContact CE1-CD2 3.79Å; Y460-F488 HydrophobicContact CE1-CE2 4.04Å; Y460-F488 AromaticContact CE2-CD2 3.85Å; Y460-F488 HydrophobicContact CE2-CD2 3.85Å; Y460-F488 HydrophobicContact CG-CB 4.33Å; Y460-F488 AromaticContact CG-CD2 3.89Å; Y460-F488 HydrophobicContact CG-CD2 3.89Å; Y460-F488 AromaticContact CZ-CD2 3.8Å; F488-L492 HydrophobicContact CD2-CD2 3.53Å; F488-L492 HydrophobicContact CD2-CG 4.17Å; F488-L492 HydrophobicContact CE2-CD2 3.39Å; F488-L492 HydrophobicContact CE2-CG 3.63Å; F488-L492 HydrophobicContact CG-CD2 4.36Å; F488-L492 HydrophobicContact CZ-CD2 4.16Å; F488-L492 HydrophobicContact CZ-CG 3.9Å; F488-A493 HydrophobicContact CD1-CB 4.2Å; F488-A493 HydrophobicContact CE1-CB 3.49Å; F488-A493 VanDerWaalsContact CE1-CB 3.49Å; F488-A493 HydrophobicContact CZ-CB 4.34Å
489S89.6Confident89.2Confident15 Ų1545.6 Ų45.611%0.10525%0.253CS..  trans-85.1155.9-174.776.50000111.6D400 G487 H491 L492 A493D400-S489 WeakPolarHBondContact OD1-CB 3.36Å; D400-S489 PolarHBondContact OD1-OG 2.95Å; G487-S489 PolarHBondContact O-N 2.94Å; S489-H491 PolarHBondContact O-N 3.09Å; S489-H491 PolarHBondContact OG-N 3.31Å; S489-L492 PolarHBondContact O-N 3.47Å; S489-L492 WeakPolarHBondContact OG-CB 3.33Å; S489-L492 PolarHBondContact OG-N 3.47Å; S489-A493 PolarHBondContact O-N 3.49Å
490D87.1Confident88.9Confident76 Ų7650.8 Ų50.841%0.40628%0.278SS..Hα-helixtrans-64.1-31.3174.2-60.6-19.3000110.5A493 M494 I541 R542D490-A493 WeakPolarHBondContact O-CB 3.39Å; D490-A493 PolarHBondContact O-N 3.28Å; D490-M494 VanDerWaalsContact O-CG 3.3Å; D490-M494 WeakPolarHBondContact O-CG 3.22Å; D490-M494 PolarHBondContact O-N 2.75Å; D490-I541 HydrophobicContact CB-CG2 3.27Å; D490-R542 IonicContact OD2-CZ 2.83Å; D490-R542 IonicContact OD2-NH2 2.85Å; D490-R542 PolarHBondContact OD2-NH2 3.22Å
491H89.2Confident88.2Confident7 Ų749 Ų493%0.03228%0.281CS..Hα-helixtrans-62.7-49.1174177.5-97.4000112.2T398 D400 S429 S489 A493 M494 T495 I541T398-H491 HydrophobicContact CG2-CB 4.18Å; T398-H491 VanDerWaalsContact CG2-CD2 3.44Å; T398-H491 WeakPolarHBondContact CG2-CD2 3.47Å; T398-H491 VanDerWaalsContact CG2-CE1 3.42Å; T398-H491 WeakPolarHBondContact CG2-CE1 3.46Å; T398-H491 VanDerWaalsContact CG2-CG 3.41Å; T398-H491 WeakPolarHBondContact CG2-ND1 3.47Å; T398-H491 WeakPolarHBondContact CG2-NE2 3.25Å; D400-H491 IonicContact OD2-CE1 2.91Å; D400-H491 IonicContact OD2-CG 2.91Å; D400-H491 IonicContact OD2-ND1 3.36Å; D400-H491 PolarHBondContact OD2-ND1 3.32Å; S429-H491 VanDerWaalsContact CB-CD2 3.45Å; S429-H491 WeakPolarHBondContact CB-CD2 3.15Å; S429-H491 WeakPolarHBondContact CB-NE2 3.37Å; S429-H491 PolarHBondContact OG-CD2 3.05Å; S429-H491 PolarHBondContact OG-NE2 2.9Å; S489-H491 PolarHBondContact O-N 3.09Å; S489-H491 PolarHBondContact OG-N 3.31Å; H491-A493 VanDerWaalsContact C-N 3.33Å; H491-A493 PolarHBondContact O-N 3.49Å; H491-M494 PolarHBondContact O-N 2.77Å; H491-T495 WeakPolarHBondContact O-CB 3.48Å; H491-T495 PolarHBondContact O-N 3.09Å; H491-T495 PolarHBondContact O-OG1 3.39Å; H491-I541 HydrophobicContact CB-CD1 4.16Å
492L91.9Very high87.6Confident3 Ų346.6 Ų46.62%0.01625%0.253CS..Hα-helixtrans-62.4-42.5176.5176.857.8000111.2D400 L412 S413 Y460 F488 S489 M494 T495 Q496D400-L492 HydrophobicContact CB-CB 4.02Å; D400-L492 HydrophobicContact CB-CD1 4.28Å; D400-L492 HydrophobicContact CB-CD2 4.2Å; D400-L492 HydrophobicContact CB-CG 4.39Å; L412-L492 HydrophobicContact CB-CD1 3.6Å; L412-L492 HydrophobicContact CD1-CD1 4.01Å; L412-L492 HydrophobicContact CD1-CD2 3.77Å; L412-L492 HydrophobicContact CG-CD1 4.46Å; S413-L492 WeakPolarHBondContact OG-CD1 3.22Å; Y460-L492 HydrophobicContact CD1-CD2 3.6Å; Y460-L492 HydrophobicContact CE1-CD2 3.94Å; Y460-L492 HydrophobicContact CG-CD2 4.46Å; F488-L492 HydrophobicContact CD2-CD2 3.53Å; F488-L492 HydrophobicContact CD2-CG 4.17Å; F488-L492 HydrophobicContact CE2-CD2 3.39Å; F488-L492 HydrophobicContact CE2-CG 3.63Å; F488-L492 HydrophobicContact CG-CD2 4.36Å; F488-L492 HydrophobicContact CZ-CD2 4.16Å; F488-L492 HydrophobicContact CZ-CG 3.9Å; S489-L492 PolarHBondContact O-N 3.47Å; S489-L492 WeakPolarHBondContact OG-CB 3.33Å; S489-L492 PolarHBondContact OG-N 3.47Å; L492-M494 VanDerWaalsContact C-N 3.34Å; L492-M494 PolarHBondContact O-N 2.85Å; L492-T495 PolarHBondContact O-N 2.91Å; L492-Q496 HydrophobicContact CD1-CG 4.2Å; L492-Q496 WeakPolarHBondContact O-CG 3.24Å; L492-Q496 PolarHBondContact O-N 3.41Å
493A90.9Very high87.3Confident29 Ų2947.1 Ų47.124%0.2427%0.268CS..Hα-helixtrans-55.5-51.1177.300000111.4F488 S489 D490 H491 T495 Q496 M497F488-A493 HydrophobicContact CD1-CB 4.2Å; F488-A493 HydrophobicContact CE1-CB 3.49Å; F488-A493 VanDerWaalsContact CE1-CB 3.49Å; F488-A493 HydrophobicContact CZ-CB 4.34Å; S489-A493 PolarHBondContact O-N 3.49Å; D490-A493 WeakPolarHBondContact O-CB 3.39Å; D490-A493 PolarHBondContact O-N 3.28Å; H491-A493 VanDerWaalsContact C-N 3.33Å; H491-A493 PolarHBondContact O-N 3.49Å; A493-T495 VanDerWaalsContact C-N 3.34Å; A493-Q496 PolarHBondContact O-N 2.9Å; A493-M497 WeakPolarHBondContact O-CG 3.41Å; A493-M497 PolarHBondContact O-N 3.25Å; A493-M497 VanDerWaalsContact O-N 3.12Å
494M88Confident87Confident6 Ų644.3 Ų44.33%0.0326%0.255CS..Hα-helixtrans-72.3-30.4-178.4-63.8-56.4-62.800112.4D490 H491 L492 M497 L498 V539 N594 V596D490-M494 VanDerWaalsContact O-CG 3.3Å; D490-M494 WeakPolarHBondContact O-CG 3.22Å; D490-M494 PolarHBondContact O-N 2.75Å; H491-M494 PolarHBondContact O-N 2.77Å; L492-M494 VanDerWaalsContact C-N 3.34Å; L492-M494 PolarHBondContact O-N 2.85Å; M494-M497 PolarHBondContact O-N 3.15Å; M494-L498 PolarHBondContact O-N 3.1Å; M494-V539 HydrophobicContact CB-CG1 3.19Å; M494-V539 HydrophobicContact CE-CG1 4.4Å; M494-V539 HydrophobicContact CG-CG1 4.12Å; M494-N594 HydrophobicContact CE-CB 4.06Å; M494-N594 HydrophobicContact SD-CB 3.75Å; M494-V596 HydrophobicContact CE-CG2 3.48Å; M494-V596 VanDerWaalsContact CE-CG2 3.48Å
495T90Very high86.9Confident1 Ų144.7 Ų44.71%0.00626%0.26CS..Hα-helixtrans-63.7-45171.4-53.90000111.2I431 H491 L492 A493 M497 L498 L499 L506I431-T495 HydrophobicContact CD1-CG2 3.92Å; I431-T495 WeakPolarHBondContact CD1-OG1 3.25Å; H491-T495 WeakPolarHBondContact O-CB 3.48Å; H491-T495 PolarHBondContact O-N 3.09Å; H491-T495 PolarHBondContact O-OG1 3.39Å; L492-T495 PolarHBondContact O-N 2.91Å; A493-T495 VanDerWaalsContact C-N 3.34Å; T495-M497 VanDerWaalsContact C-N 3.29Å; T495-M497 PolarHBondContact O-N 3.1Å; T495-L498 WeakPolarHBondContact O-CB 3.01Å; T495-L498 PolarHBondContact O-N 2.89Å; T495-L498 VanDerWaalsContact O-N 3.15Å; T495-L499 HydrophobicContact CG2-CG 4.44Å; T495-L499 WeakPolarHBondContact O-CG 3.49Å; T495-L499 PolarHBondContact O-N 2.94Å; T495-L506 HydrophobicContact CG2-CD1 3.46Å; T495-L506 VanDerWaalsContact CG2-CD1 3.46Å
496Q89.8Confident86.8Confident85 Ų8544 Ų4440%0.39726%0.256SS..Hα-helixtrans-61.8-38.5176.6-73-172.8-9.800112.2L492 A493 L499 M500L492-Q496 HydrophobicContact CD1-CG 4.2Å; L492-Q496 WeakPolarHBondContact O-CG 3.24Å; L492-Q496 PolarHBondContact O-N 3.41Å; A493-Q496 PolarHBondContact O-N 2.9Å; Q496-L499 PolarHBondContact O-N 2.97Å; Q496-M500 WeakPolarHBondContact O-CB 3.24Å; Q496-M500 PolarHBondContact O-N 2.84Å
497M85.6Confident86.3Confident67 Ų6742.4 Ų42.433%0.3325%0.249SC..Hα-helixtrans-62.1-43.7173.2-70.9-67.4-68.900112A493 M494 T495 M500 A501 V588 V596A493-M497 WeakPolarHBondContact O-CG 3.41Å; A493-M497 PolarHBondContact O-N 3.25Å; A493-M497 VanDerWaalsContact O-N 3.12Å; M494-M497 PolarHBondContact O-N 3.15Å; T495-M497 VanDerWaalsContact C-N 3.29Å; T495-M497 PolarHBondContact O-N 3.1Å; M497-M500 PolarHBondContact O-N 3.31Å; M497-A501 VanDerWaalsContact O-CB 3.31Å; M497-A501 WeakPolarHBondContact O-CB 3.47Å; M497-A501 PolarHBondContact O-N 2.99Å; M497-V588 HydrophobicContact CE-CB 4.39Å; M497-V588 HydrophobicContact CE-CG1 3.67Å; M497-V596 HydrophobicContact CB-CG2 4.03Å
498L84.9Confident85.8Confident13 Ų1343.7 Ų43.77%0.06825%0.247CC..Hα-helixtrans-58.9-48.5174.5170.570.5000111.6I431 M494 T495 M500 A501 T502 F513 A537 V539I431-L498 HydrophobicContact CD1-CD2 4.37Å; I431-L498 HydrophobicContact CG2-CD2 4.49Å; M494-L498 PolarHBondContact O-N 3.1Å; T495-L498 WeakPolarHBondContact O-CB 3.01Å; T495-L498 PolarHBondContact O-N 2.89Å; T495-L498 VanDerWaalsContact O-N 3.15Å; L498-M500 VanDerWaalsContact C-N 3.31Å; L498-M500 PolarHBondContact O-N 3.43Å; L498-A501 PolarHBondContact O-N 3.36Å; L498-T502 HydrophobicContact CD1-CG2 3.94Å; L498-T502 WeakPolarHBondContact O-CB 3.28Å; L498-T502 WeakPolarHBondContact O-CG2 3.2Å; L498-T502 PolarHBondContact O-N 3.48Å; L498-T502 PolarHBondContact O-OG1 3.47Å; L498-F513 HydrophobicContact CD1-CE1 4.32Å; L498-F513 HydrophobicContact CD1-CZ 4.21Å; L498-F513 HydrophobicContact CD2-CE1 4.21Å; L498-F513 HydrophobicContact CD2-CZ 4.18Å; L498-F513 HydrophobicContact CG-CE1 4.35Å; L498-F513 HydrophobicContact CG-CZ 3.99Å; L498-A537 HydrophobicContact CD1-CB 3.76Å; L498-A537 HydrophobicContact CD2-CB 3.36Å; L498-A537 HydrophobicContact CG-CB 4.2Å; L498-V539 HydrophobicContact CB-CG2 4.42Å; L498-V539 HydrophobicContact CD2-CG2 3.92Å
499L86.5Confident85.3Confident41 Ų4150.8 Ų50.822%0.21527%0.272CS..Hα-helixtrans-60.9-42.5178.5-63.3-175.8000111.2T495 Q496 T502 G503 G504 L506 F513T495-L499 HydrophobicContact CG2-CG 4.44Å; T495-L499 WeakPolarHBondContact O-CG 3.49Å; T495-L499 PolarHBondContact O-N 2.94Å; Q496-L499 PolarHBondContact O-N 2.97Å; L499-T502 PolarHBondContact O-OG1 3.03Å; L499-G503 CarbonylContact O-C 3.27Å; L499-G503 VanDerWaalsContact O-CA 3.28Å; L499-G503 WeakPolarHBondContact O-CA 3.14Å; L499-G503 PolarHBondContact O-N 3.45Å; L499-G504 PolarHBondContact O-N 2.95Å; L499-L506 HydrophobicContact CD1-CD1 4.44Å; L499-L506 HydrophobicContact CD2-CD1 4.21Å; L499-L506 HydrophobicContact CD2-CG 4.01Å; L499-F513 HydrophobicContact CD2-CD2 3.92Å; L499-F513 HydrophobicContact CD2-CE2 3.55Å
500M83.1Confident84.7Confident159 Ų15953.4 Ų53.478%0.78329%0.287SS*.Hα-helixtrans-65.9-43.1178.1-172.265.7-176.100112.2Q496 M497 L498Q496-M500 WeakPolarHBondContact O-CB 3.24Å; Q496-M500 PolarHBondContact O-N 2.84Å; M497-M500 PolarHBondContact O-N 3.31Å; L498-M500 VanDerWaalsContact C-N 3.31Å; L498-M500 PolarHBondContact O-N 3.43Å
501A77.4Confident84.4Confident47 Ų4750.7 Ų50.739%0.38828%0.277SS..Hα-helixtrans-68.4-36.9-178.600000112.7M497 L498 F567M497-A501 VanDerWaalsContact O-CB 3.31Å; M497-A501 WeakPolarHBondContact O-CB 3.47Å; M497-A501 PolarHBondContact O-N 2.99Å; L498-A501 PolarHBondContact O-N 3.36Å; A501-F567 WeakPolarHBondContact O-CE1 3.39Å
502T79.2Confident84.1Confident19 Ų1952 Ų5212%0.11729%0.287CS..Hα-helixtrans-89.6-17.9-178.857.40000113.3L498 L499 G504 F513 F567L498-T502 HydrophobicContact CD1-CG2 3.94Å; L498-T502 WeakPolarHBondContact O-CB 3.28Å; L498-T502 WeakPolarHBondContact O-CG2 3.2Å; L498-T502 PolarHBondContact O-N 3.48Å; L498-T502 PolarHBondContact O-OG1 3.47Å; L499-T502 PolarHBondContact O-OG1 3.03Å; T502-G504 PolarHBondContact O-N 3.3Å; T502-G504 PolarHBondContact OG1-N 3.12Å; T502-G504 VanDerWaalsContact OG1-N 3.13Å; T502-F513 HydrophobicContact CG2-CZ 3.98Å; T502-F513 WeakPolarHBondContact OG1-CZ 3.33Å; T502-F567 HydrophobicContact CG2-CE2 3.81Å; T502-F567 HydrophobicContact CG2-CZ 3.74Å
503G80.9Confident84Confident50 Ų5052.1 Ų52.152%0.51529%0.287SS..THydrogen-bonded Turntrans63.314.6-165.100000113L499 P516L499-G503 CarbonylContact O-C 3.27Å; L499-G503 VanDerWaalsContact O-CA 3.28Å; L499-G503 WeakPolarHBondContact O-CA 3.14Å; L499-G503 PolarHBondContact O-N 3.45Å; G503-P516 WeakPolarHBondContact O-CD 3.47Å
504G83.4Confident83.8Confident7 Ų752.7 Ų52.77%0.07229%0.285CS..  trans-82.9169.1-17800000113.1L499 T502 E514L499-G504 PolarHBondContact O-N 2.95Å; T502-G504 PolarHBondContact O-N 3.3Å; T502-G504 PolarHBondContact OG1-N 3.12Å; T502-G504 VanDerWaalsContact OG1-N 3.13Å; G504-E514 CarbonylContact C-O 3.46Å; G504-E514 WeakPolarHBondContact CA-O 3.43Å
505T88.1Confident83.6Confident83 Ų8352.6 Ų52.651%0.50929%0.285SS..EExtended strand (participates in β ladder)trans-130.9141.1178.954.50000110.9E514T505-E514 PolarHBondContact N-O 2.8Å; T505-E514 PolarHBondContact O-N 2.8Å
506L87.1Confident83.2Confident28 Ų2855.6 Ų55.615%0.14730%0.304CS..EExtended strand (participates in β ladder)trans-91.5111.4168.8-82.3165.7000109.1W414 I431 P432 T495 L499 F513W414-L506 HydrophobicContact CH2-CB 3.79Å; W414-L506 HydrophobicContact CH2-CD2 4.3Å; W414-L506 HydrophobicContact CZ2-CB 4.45Å; W414-L506 HydrophobicContact CZ2-CD2 4.15Å; W414-L506 HydrophobicContact CZ3-CB 4.13Å; I431-L506 HydrophobicContact CG2-CD1 3.93Å; I431-L506 HydrophobicContact CG2-CD2 3.8Å; I431-L506 HydrophobicContact CG2-CG 4.4Å; P432-L506 HydrophobicContact CB-CD2 4.25Å; T495-L506 HydrophobicContact CG2-CD1 3.46Å; T495-L506 VanDerWaalsContact CG2-CD1 3.46Å; L499-L506 HydrophobicContact CD1-CD1 4.44Å; L499-L506 HydrophobicContact CD2-CD1 4.21Å; L499-L506 HydrophobicContact CD2-CG 4.01Å; L506-F513 HydrophobicContact CD2-CB 3.81Å; L506-F513 HydrophobicContact CD2-CD2 4.37Å; L506-F513 HydrophobicContact CD2-CG 4.46Å; L506-F513 HydrophobicContact CG-CD2 4.36Å
507N80.1Confident82.4Confident53 Ų5354.5 Ų54.528%0.28330%0.303SS..EExtended strand (participates in β ladder)trans-102.4110.3179.7-177.7-8.9000109.8R509 T510 G511 C512N507-R509 PolarHBondContact O-N 3.5Å; N507-R509 WeakPolarHBondContact OD1-CB 3.48Å; N507-R509 PolarHBondContact OD1-N 3.23Å; N507-T510 WeakPolarHBondContact CB-OG1 3.48Å; N507-T510 PolarHBondContact O-N 2.97Å; N507-T510 PolarHBondContact O-OG1 3.34Å; N507-G511 PolarHBondContact O-N 3.46Å; N507-C512 PolarHBondContact N-O 3.5Å
508W79.5Confident81.2Confident47 Ų4759.9 Ų59.918%0.17833%0.325CS..THydrogen-bonded Turntrans-60.7-27.6179.7-178.1-95.5000112.8I411 W414 L438 L441 H442I411-W508 HydrophobicContact CB-CE3 4.19Å; I411-W508 HydrophobicContact CB-CZ3 4.42Å; I411-W508 HydrophobicContact CD1-CD2 3.9Å; I411-W508 HydrophobicContact CD1-CE3 3.97Å; I411-W508 HydrophobicContact CD1-CH2 3.63Å; I411-W508 HydrophobicContact CD1-CZ2 3.61Å; I411-W508 HydrophobicContact CD1-CZ3 3.85Å; I411-W508 HydrophobicContact CG2-CE3 3.73Å; I411-W508 HydrophobicContact CG2-CH2 4.42Å; I411-W508 HydrophobicContact CG2-CZ3 3.65Å; W414-W508 HydrophobicContact CB-CZ3 4.41Å; W414-W508 AromaticContact CD2-CE3 3.69Å; W414-W508 HydrophobicContact CD2-CE3 3.69Å; W414-W508 AromaticContact CD2-CZ3 3.63Å; W414-W508 HydrophobicContact CD2-CZ3 3.63Å; W414-W508 AromaticContact CE2-CE3 3.94Å; W414-W508 AromaticContact CE3-CE3 3.48Å; W414-W508 HydrophobicContact CE3-CE3 3.48Å; W414-W508 VanDerWaalsContact CE3-CE3 3.48Å; W414-W508 AromaticContact CE3-CZ3 3.71Å; W414-W508 HydrophobicContact CE3-CZ3 3.71Å; W414-W508 HydrophobicContact CG-CE3 4.47Å; W414-W508 AromaticContact CG-CZ3 3.96Å; W414-W508 HydrophobicContact CG-CZ3 3.96Å; W414-W508 HydrophobicContact CH2-CB 4.06Å; W414-W508 AromaticContact CH2-CE3 3.84Å; W414-W508 HydrophobicContact CH2-CE3 3.84Å; W414-W508 HydrophobicContact CZ2-CE3 4.02Å; W414-W508 HydrophobicContact CZ3-CB 4.41Å; W414-W508 AromaticContact CZ3-CE3 3.58Å; W414-W508 HydrophobicContact CZ3-CE3 3.58Å; W414-W508 HydrophobicContact CZ3-CZ3 4.28Å; L438-W508 HydrophobicContact CD1-CD2 3.87Å; L438-W508 HydrophobicContact CD1-CE3 3.87Å; L438-W508 HydrophobicContact CD1-CH2 3.74Å; L438-W508 HydrophobicContact CD1-CZ2 3.64Å; L438-W508 HydrophobicContact CD1-CZ3 3.82Å; L438-W508 WeakPolarHBondContact CD2-O 3.21Å; L438-W508 HydrophobicContact CG-CZ2 4.14Å; L441-W508 HydrophobicContact CB-CH2 4.06Å; L441-W508 HydrophobicContact CD2-CH2 3.44Å; L441-W508 VanDerWaalsContact CD2-CH2 3.44Å; L441-W508 HydrophobicContact CD2-CZ3 3.84Å; L441-W508 HydrophobicContact CG-CH2 3.93Å; H442-W508 HydrophobicContact CB-CZ2 3.58Å; H442-W508 AromaticContact CG-NE1 3.71Å; H442-W508 AromaticContact ND1-CE2 3.57Å; H442-W508 AromaticContact ND1-CZ2 3.68Å; H442-W508 AromaticContact ND1-NE1 3.22Å; H442-W508 PolarHBondContact ND1-NE1 2.84Å
509R79.2Confident79.7Confident230 Ų23065.6 Ų65.687%0.86835%0.351SS*.THydrogen-bonded Turntrans-75.3-36.4-178.4-62.4-174.1178.8-156.7-0.5112.7N507N507-R509 PolarHBondContact O-N 3.5Å; N507-R509 WeakPolarHBondContact OD1-CB 3.48Å; N507-R509 PolarHBondContact OD1-N 3.23Å
510T77.6Confident77.7Confident70 Ų7073.3 Ų73.343%0.42938%0.383SS..THydrogen-bonded Turntrans-87.4-22.5178.257.40000111.2N507 C512 E514N507-T510 WeakPolarHBondContact CB-OG1 3.48Å; N507-T510 PolarHBondContact O-N 2.97Å; N507-T510 PolarHBondContact O-OG1 3.34Å; T510-C512 PolarHBondContact O-N 3.43Å; T510-C512 PolarHBondContact O-SG 2.99Å; T510-C512 PolarHBondContact OG1-N 2.85Å; T510-E514 WeakPolarHBondContact CB-OE1 3.33Å; T510-E514 WeakPolarHBondContact CG2-OE1 3.24Å; T510-E514 PolarHBondContact OG1-OE1 3.32Å
511G79.9Confident75.4Confident19 Ų1970.7 Ų70.720%0.19638%0.379CS..THydrogen-bonded Turntrans72.28.3-173.900000112.7P432 N507P432-G511 WeakPolarHBondContact CB-O 3.49Å; P432-G511 VanDerWaalsContact CG-O 3.26Å; P432-G511 WeakPolarHBondContact CG-O 3.47Å; N507-G511 PolarHBondContact O-N 3.46Å
512C84.1Confident73.6Confident36 Ų3673.7 Ų73.724%0.24340%0.397CS..EExtended strand (participates in β ladder)trans-105.8150.5-172.8-64.20000111.7N507 T510 E514 S534N507-C512 PolarHBondContact N-O 3.5Å; T510-C512 PolarHBondContact O-N 3.43Å; T510-C512 PolarHBondContact O-SG 2.99Å; T510-C512 PolarHBondContact OG1-N 2.85Å; C512-E514 HydrophobicContact CB-CG 4.22Å; C512-S534 WeakPolarHBondContact CB-OG 3.34Å; C512-S534 PolarHBondContact SG-OG 3.29Å
513F87.9Confident71.8Confident4 Ų481.8 Ų81.82%0.01843%0.434CS..EExtended strand (participates in β ladder)trans-91.9111.7162.7169.3-132.8000108.4P432 L498 L499 T502 L506 V515 S534 R535 A537P432-F513 HydrophobicContact CG-CB 4.43Å; L498-F513 HydrophobicContact CD1-CE1 4.32Å; L498-F513 HydrophobicContact CD1-CZ 4.21Å; L498-F513 HydrophobicContact CD2-CE1 4.21Å; L498-F513 HydrophobicContact CD2-CZ 4.18Å; L498-F513 HydrophobicContact CG-CE1 4.35Å; L498-F513 HydrophobicContact CG-CZ 3.99Å; L499-F513 HydrophobicContact CD2-CD2 3.92Å; L499-F513 HydrophobicContact CD2-CE2 3.55Å; T502-F513 HydrophobicContact CG2-CZ 3.98Å; T502-F513 WeakPolarHBondContact OG1-CZ 3.33Å; L506-F513 HydrophobicContact CD2-CB 3.81Å; L506-F513 HydrophobicContact CD2-CD2 4.37Å; L506-F513 HydrophobicContact CD2-CG 4.46Å; L506-F513 HydrophobicContact CG-CD2 4.36Å; F513-V515 HydrophobicContact CD1-CG2 4.21Å; F513-V515 HydrophobicContact CD2-CG2 4.45Å; F513-V515 HydrophobicContact CE1-CG2 3.63Å; F513-V515 HydrophobicContact CE2-CG2 3.88Å; F513-V515 HydrophobicContact CZ-CG2 3.45Å; F513-V515 VanDerWaalsContact CZ-CG2 3.45Å; F513-S534 WeakPolarHBondContact O-CA 3.39Å; F513-R535 WeakPolarHBondContact CB-O 3.26Å; F513-R535 HydrophobicContact CD1-CB 4.01Å; F513-R535 HydrophobicContact CE1-CB 4.34Å; F513-R535 PolarHBondContact O-N 2.9Å; F513-A537 HydrophobicContact CD1-CB 4.39Å; F513-A537 HydrophobicContact CE1-CB 4.19Å
514E87.4Confident69.8Low42 Ų4288.7 Ų88.720%0.19645%0.453CS..EExtended strand (participates in β ladder)trans-104119.5-169.6-80.2172.8-152.500110G504 T505 T510 C512 V532 D533G504-E514 CarbonylContact C-O 3.46Å; G504-E514 WeakPolarHBondContact CA-O 3.43Å; T505-E514 PolarHBondContact N-O 2.8Å; T505-E514 PolarHBondContact O-N 2.8Å; T510-E514 WeakPolarHBondContact CB-OE1 3.33Å; T510-E514 WeakPolarHBondContact CG2-OE1 3.24Å; T510-E514 PolarHBondContact OG1-OE1 3.32Å; C512-E514 HydrophobicContact CB-CG 4.22Å; E514-V532 HydrophobicContact CB-CG1 3.46Å; E514-V532 VanDerWaalsContact CB-CG1 3.46Å; E514-V532 HydrophobicContact CG-CG1 3.73Å; E514-D533 WeakPolarHBondContact CA-O 3.2Å
515V84.3Confident67.8Low4 Ų498 Ų982%0.02449%0.494CS..EExtended strand (participates in β ladder)trans-113.7129.6-178.8-178.20000110F513 V517 D533 R535F513-V515 HydrophobicContact CD1-CG2 4.21Å; F513-V515 HydrophobicContact CD2-CG2 4.45Å; F513-V515 HydrophobicContact CE1-CG2 3.63Å; F513-V515 HydrophobicContact CE2-CG2 3.88Å; F513-V515 HydrophobicContact CZ-CG2 3.45Å; F513-V515 VanDerWaalsContact CZ-CG2 3.45Å; V515-V517 PolarHBondContact O-N 3.45Å; V515-D533 PolarHBondContact N-O 3.29Å; V515-D533 PolarHBondContact O-N 3.37Å; V515-R535 HydrophobicContact CG2-CB 4.35Å; V515-R535 HydrophobicContact CG2-CG 4.28Å
516P80.4Confident65.4Low64 Ų6497.5 Ų97.542%0.41651%0.506SS..EExtended strand (participates in β ladder)trans-71.5126.7177.827-32.2000111.4G503G503-P516 WeakPolarHBondContact O-CD 3.47Å
517V74.4Confident63.1Low61 Ų61100.9 Ų100.937%0.3754%0.538SS..  trans-92130.6176.7-174.10000109.6V515 L531 D533V515-V517 PolarHBondContact O-N 3.45Å; V517-L531 HydrophobicContact CB-CB 4.41Å; V517-L531 PolarHBondContact N-O 3.41Å; V517-D533 HydrophobicContact CG2-CB 3.61Å
518K60.5Low61.3Low180 Ų180103.1 Ų103.178%0.78356%0.563SS**  trans-92.9112.7170.1-72.7-177.2179176.80109.4
519E52.4Low59.6Low134 Ų134110 Ų11063%0.62660%0.595SS**  trans-70.9142.6166-77.9-175.2158.600110.6C521 L531E519-C521 PolarHBondContact O-N 3.16Å; E519-C521 VanDerWaalsContact O-N 3.17Å; E519-L531 HydrophobicContact CG-CD1 4.24Å; E519-L531 VanDerWaalsContact OE1-CD1 3.31Å; E519-L531 WeakPolarHBondContact OE1-CD1 3.4Å
520K44.2Very low58.4Low203 Ų203110 Ų11088%0.88359%0.594SS**  trans-74.193.8157.3-77.1-178.2177.7177.60106.5S522K520-S522 PolarHBondContact O-N 3.44Å
521C36.4Very low57.8Low103 Ų103111 Ų11170%0.69660%0.597SS**  trans-63.7111.2171.4-69.60000109.2E519E519-C521 PolarHBondContact O-N 3.16Å; E519-C521 VanDerWaalsContact O-N 3.17Å
522S39.4Very low57.3Low111 Ų111114 Ų11478%0.77661%0.611SS**  trans-64.2128.9145.344.80000107.3K520 Q524K520-S522 PolarHBondContact O-N 3.44Å; S522-Q524 PolarHBondContact O-N 2.75Å
523E41.2Very low57Low188 Ų188115.5 Ų115.588%0.87962%0.617SS**SBendtrans-52.4107-178-65.5174160.100111.2
524Q38.9Very low56.7Low195 Ų195118 Ų11891%0.91164%0.635SS**  trans-166.2138.2145.4-105.4167.524.500110.4S522S522-Q524 PolarHBondContact O-N 2.75Å
525E41.8Very low56.5Low204 Ų204117.7 Ų117.795%0.95363%0.632SS**  trans-67.2141.8-163.5-63.2173.5139.500114.4
526G37.3Very low56.5Low72 Ų72124.9 Ų124.974%0.74266%0.66SS**SBendtrans152.894.7164.200000113.8
527A38.9Very low56.7Low99 Ų99122.5 Ų122.582%0.81865%0.645SS**  trans29.888.5166.300000116.5K529A527-K529 PolarHBondContact O-N 2.85Å
528A40.7Very low57.2Low100 Ų100124.2 Ų124.283%0.82666%0.656SS**  trans-55.297174.600000111.7R530A528-R530 PolarHBondContact O-N 3.26Å
529K45.7Very low58.4Low192 Ų192115.9 Ų115.984%0.83562%0.62SS**  trans-65.2115.2161.6-86.4179.1175.8175.60106.5A527 L531A527-K529 PolarHBondContact O-N 2.85Å; K529-L531 PolarHBondContact O-N 3.25Å
530R53.5Low59.8Low228 Ų228110.9 Ų110.986%0.8661%0.605SS**  trans-59.7104.9166.9-82.6-178.1176.1173.4-1.4107.8A528 V532A528-R530 PolarHBondContact O-N 3.26Å; R530-V532 PolarHBondContact O-N 3.31Å
531L64.9Low61.3Low92 Ų92102 Ų10248%0.48257%0.566SS.*  trans-70125.3170.2-82.5144.4000108.2V517 E519 K529V517-L531 HydrophobicContact CB-CB 4.41Å; V517-L531 PolarHBondContact N-O 3.41Å; E519-L531 HydrophobicContact CG-CD1 4.24Å; E519-L531 VanDerWaalsContact OE1-CD1 3.31Å; E519-L531 WeakPolarHBondContact OE1-CD1 3.4Å; K529-L531 PolarHBondContact O-N 3.25Å
532V69.9Low62.7Low81 Ų81101.8 Ų101.849%0.49155%0.551SS.*EExtended strand (participates in β ladder)trans-114.2128.1178.6-179.40000107E514 R530E514-V532 HydrophobicContact CB-CG1 3.46Å; E514-V532 VanDerWaalsContact CB-CG1 3.46Å; E514-V532 HydrophobicContact CG-CG1 3.73Å; R530-V532 PolarHBondContact O-N 3.31Å
533D77.6Confident64Low68 Ų6899.9 Ų99.936%0.36453%0.532SS..EExtended strand (participates in β ladder)trans-111.1137.9-178.4-174.323.9000110.1E514 V515 V517 R535E514-D533 WeakPolarHBondContact CA-O 3.2Å; V515-D533 PolarHBondContact N-O 3.29Å; V515-D533 PolarHBondContact O-N 3.37Å; V517-D533 HydrophobicContact CG2-CB 3.61Å; D533-R535 IonicContact OD2-CZ 3.75Å; D533-R535 VanDerWaalsContact OD2-CZ 3.31Å; D533-R535 IonicContact OD2-NE 2.94Å; D533-R535 PolarHBondContact OD2-NE 3.21Å; D533-R535 IonicContact OD2-NH2 2.75Å; D533-R535 PolarHBondContact OD2-NH2 3.21Å
534S81.8Confident65Low58 Ų5899.8 Ų99.841%0.40653%0.529SS..EExtended strand (participates in β ladder)trans-90.7121-179.3-179.40000109.5C512 F513C512-S534 WeakPolarHBondContact CB-OG 3.34Å; C512-S534 PolarHBondContact SG-OG 3.29Å; F513-S534 WeakPolarHBondContact O-CA 3.39Å
535R82.4Confident66.2Low34 Ų3495.3 Ų95.313%0.12851%0.508CS..EExtended strand (participates in β ladder)trans-125.2165.3-172.5-60.1-163.4172.6-172-1.1112.6F513 V515 D533 S571 G572 L573F513-R535 WeakPolarHBondContact CB-O 3.26Å; F513-R535 HydrophobicContact CD1-CB 4.01Å; F513-R535 HydrophobicContact CE1-CB 4.34Å; F513-R535 PolarHBondContact O-N 2.9Å; V515-R535 HydrophobicContact CG2-CB 4.35Å; V515-R535 HydrophobicContact CG2-CG 4.28Å; D533-R535 IonicContact OD2-CZ 3.75Å; D533-R535 VanDerWaalsContact OD2-CZ 3.31Å; D533-R535 IonicContact OD2-NE 2.94Å; D533-R535 PolarHBondContact OD2-NE 3.21Å; D533-R535 IonicContact OD2-NH2 2.75Å; D533-R535 PolarHBondContact OD2-NH2 3.21Å; R535-S571 PolarHBondContact NH1-O 3.06Å; R535-S571 PolarHBondContact NH2-O 3.3Å; R535-G572 PolarHBondContact NH1-O 3.12Å; R535-L573 VanDerWaalsContact NH1-CD2 3.29Å; R535-L573 VanDerWaalsContact NH1-CG 3.3Å
536Y83.3Confident67.2Low155 Ų15589 Ų8961%0.60849%0.486SS*.  trans-117.2144.7167.8-61.7-86.3000108.3I431 P432 T434I431-Y536 CarbonylContact O-C 3.56Å; I431-Y536 WeakPolarHBondContact O-CA 3.47Å; P432-Y536 HydrophobicContact CG-CD1 4.44Å; P432-Y536 HydrophobicContact CG-CE1 4.34Å; T434-Y536 HydrophobicContact CG2-CD1 4.29Å; T434-Y536 HydrophobicContact CG2-CE1 3.62Å
537A85.6Confident68.4Low14 Ų1489.8 Ų89.812%0.11647%0.473CS..EExtended strand (participates in β ladder)trans-128.6143.7176.600000109.6I430 I431 L498 F513I430-A537 CarbonylContact C-O 3.58Å; I430-A537 WeakPolarHBondContact CA-O 3.16Å; I431-A537 PolarHBondContact N-O 3.2Å; I431-A537 PolarHBondContact O-N 3.42Å; L498-A537 HydrophobicContact CD1-CB 3.76Å; L498-A537 HydrophobicContact CD2-CB 3.36Å; L498-A537 HydrophobicContact CG-CB 4.2Å; F513-A537 HydrophobicContact CD1-CB 4.39Å; F513-A537 HydrophobicContact CE1-CB 4.19Å
538V85.6Confident69.7Low98 Ų9887 Ų8759%0.59444%0.444SS*.EExtended strand (participates in β ladder)trans-107.8124.5169.1-177.70000107.4L418 S429 I430L418-V538 HydrophobicContact CD1-CG1 3.61Å; S429-V538 WeakPolarHBondContact O-CA 3.42Å; I430-V538 HydrophobicContact CG1-CG2 4.29Å
539V85.4Confident70.9Confident5 Ų587.1 Ų87.13%0.0344%0.439CS..EExtended strand (participates in β ladder)trans-116.8117-175.1177.90000109.1G428 S429 I431 M494 L498G428-V539 CarbonylContact C-O 3.59Å; G428-V539 WeakPolarHBondContact CA-O 3.28Å; S429-V539 PolarHBondContact N-O 3.43Å; S429-V539 PolarHBondContact O-N 2.6Å; I431-V539 HydrophobicContact CD1-CB 4.3Å; I431-V539 HydrophobicContact CD1-CG2 3.8Å; M494-V539 HydrophobicContact CB-CG1 3.19Å; M494-V539 HydrophobicContact CE-CG1 4.4Å; M494-V539 HydrophobicContact CG-CG1 4.12Å; L498-V539 HydrophobicContact CB-CG2 4.42Å; L498-V539 HydrophobicContact CD2-CG2 3.92Å
540G81.9Confident72.1Confident29 Ų2985.1 Ų85.130%0.29944%0.435SS..EExtended strand (participates in β ladder)trans-79126.2171.500000110.4
541I75.8Confident72.8Confident16 Ų1677.6 Ų77.68%0.08241%0.411CS..SBendtrans-87.5-28.1178.9-64166.8000110.3I426 V427 D490 H491 N594I426-I541 HydrophobicContact CG2-CD1 4.06Å; V427-I541 PolarHBondContact O-N 2.94Å; D490-I541 HydrophobicContact CB-CG2 3.27Å; H491-I541 HydrophobicContact CB-CD1 4.16Å; I541-N594 PolarHBondContact O-OD1 3.33Å
542R66.1Low73.4Confident98 Ų9881.8 Ų81.837%0.3742%0.422SS..  trans-146.7125.1174-66.5-172.7-176.7137.18110.8R307 D490R307-R542 VanDerWaalsContact NE-NH1 3.18Å; R307-R542 VanDerWaalsContact NH1-NH1 3.14Å; D490-R542 IonicContact OD2-CZ 2.83Å; D490-R542 IonicContact OD2-NH2 2.85Å; D490-R542 PolarHBondContact OD2-NH2 3.22Å
543L65.6Low73.4Confident71 Ų7184 Ų8437%0.37243%0.427SS..  trans-114.886.9173.9-148.8144.5000108.4L548 I595L543-L548 HydrophobicContact CD2-CD1 3.36Å; L543-I595 HydrophobicContact CD2-CD1 4.32Å
544F62.6Low73.1Confident186 Ų18684.4 Ų84.482%0.81644%0.435SS*.  trans-113.5122.4178.8-177.4-94.1000110.5
545H63.8Low72.9Confident102 Ų10285.4 Ų85.447%0.47243%0.434SS..  trans-138.3135.9169.5-170.9-85.7000108.2N547 L548H545-N547 WeakPolarHBondContact ND1-CB 3.41Å; H545-N547 PolarHBondContact ND1-N 3.42Å; H545-N547 VanDerWaalsContact ND1-N 3.15Å; H545-N547 PolarHBondContact O-N 3.36Å; H545-N547 VanDerWaalsContact O-N 3.12Å; H545-L548 HydrophobicContact CB-CB 4.25Å; H545-L548 HydrophobicContact CB-CD1 3.65Å; H545-L548 HydrophobicContact CB-CG 3.82Å; H545-L548 WeakPolarHBondContact O-CB 3.34Å; H545-L548 PolarHBondContact O-N 3.18Å
546S62.3Low72.5Confident70 Ų7085.5 Ų85.549%0.4944%0.436SS..G310 helixtrans-51.4-41.5-177.751.90000111.9S549S546-S549 PolarHBondContact O-OG 2.73Å
547N63.5Low72Confident90 Ų9079.7 Ų79.748%0.48142%0.415SS..G310 helixtrans-81.2-14.4-176.8-53.4-5.7000113.6H545 S549 M550H545-N547 WeakPolarHBondContact ND1-CB 3.41Å; H545-N547 PolarHBondContact ND1-N 3.42Å; H545-N547 VanDerWaalsContact ND1-N 3.15Å; H545-N547 PolarHBondContact O-N 3.36Å; H545-N547 VanDerWaalsContact O-N 3.12Å; N547-S549 VanDerWaalsContact C-N 3.28Å; N547-S549 PolarHBondContact O-N 3.27Å; N547-M550 WeakPolarHBondContact O-CB 3.46Å; N547-M550 PolarHBondContact O-N 2.64Å
548L66.6Low71.4Confident40 Ų4083.1 Ų83.121%0.20943%0.431CS..G310 helixtrans-68.7-31.3174.9-80170.3000111.4L543 H545 M550 L551 F556L543-L548 HydrophobicContact CD2-CD1 3.36Å; H545-L548 HydrophobicContact CB-CB 4.25Å; H545-L548 HydrophobicContact CB-CD1 3.65Å; H545-L548 HydrophobicContact CB-CG 3.82Å; H545-L548 WeakPolarHBondContact O-CB 3.34Å; H545-L548 PolarHBondContact O-N 3.18Å; L548-M550 PolarHBondContact O-N 3.37Å; L548-L551 HydrophobicContact CD2-CD1 4.32Å; L548-L551 PolarHBondContact O-N 3.14Å; L548-F556 HydrophobicContact CD2-CD2 3.45Å; L548-F556 VanDerWaalsContact CD2-CD2 3.45Å; L548-F556 HydrophobicContact CD2-CE2 3.44Å; L548-F556 VanDerWaalsContact CD2-CE2 3.44Å; L548-F556 HydrophobicContact CD2-CG 4.2Å; L548-F556 HydrophobicContact CD2-CZ 4.18Å
549S65Low70.9Confident102 Ų10281.9 Ų81.971%0.71342%0.421SS*.G310 helixtrans-65.3-19.6173.870.90000113.4S546 N547S546-S549 PolarHBondContact O-OG 2.73Å; N547-S549 VanDerWaalsContact C-N 3.28Å; N547-S549 PolarHBondContact O-N 3.27Å
550M70.8Confident70.3Confident151 Ų15182.1 Ų82.174%0.74442%0.422SS*.G310 helixtrans-91.6-7.8178.8-57.1-177.570.900112.7N547 L548N547-M550 WeakPolarHBondContact O-CB 3.46Å; N547-M550 PolarHBondContact O-N 2.64Å; L548-M550 PolarHBondContact O-N 3.37Å
551L69.3Low69.7Low70 Ų7084.7 Ų84.737%0.36643%0.426SS..SBendtrans-100129.7178.9-70.1170.8000110L548 H553L548-L551 HydrophobicContact CD2-CD1 4.32Å; L548-L551 PolarHBondContact O-N 3.14Å; L551-H553 PolarHBondContact O-N 3.13Å
552Y75.6Confident69.5Low179 Ų17994.6 Ų94.670%0.70246%0.462SS*.  trans-60.6133.5165.7-67.6-78.6000109.2S554 I555 F556Y552-S554 PolarHBondContact O-N 3.18Å; Y552-S554 VanDerWaalsContact O-N 3.11Å; Y552-I555 HydrophobicContact CD2-CD1 3.94Å; Y552-I555 HydrophobicContact CG-CD1 4.49Å; Y552-I555 WeakPolarHBondContact O-CB 3.37Å; Y552-I555 PolarHBondContact O-N 2.9Å; Y552-F556 PolarHBondContact O-N 3.33Å; Y552-F556 VanDerWaalsContact O-N 3.09Å
553H70.7Confident69.7Low129 Ų12994.9 Ų94.960%0.59747%0.471SS*.Hα-helixtrans-52.5-37.9-178.6-71.4-59.6000112.9L551 I555 F556 L557L551-H553 PolarHBondContact O-N 3.13Å; H553-I555 VanDerWaalsContact C-N 3.34Å; H553-I555 PolarHBondContact O-N 2.92Å; H553-F556 PolarHBondContact O-N 3.04Å; H553-L557 WeakPolarHBondContact O-CB 3.31Å; H553-L557 VanDerWaalsContact O-CG 3.25Å; H553-L557 WeakPolarHBondContact O-CG 3.46Å; H553-L557 PolarHBondContact O-N 2.92Å
554S72.1Confident69.7Low76 Ų7695.3 Ų95.353%0.53148%0.479SS..Hα-helixtrans-61-40176.752.80000113.1Y552 N558Y552-S554 PolarHBondContact O-N 3.18Å; Y552-S554 VanDerWaalsContact O-N 3.11Å; S554-N558 WeakPolarHBondContact O-CB 3.39Å; S554-N558 PolarHBondContact O-N 3.27Å; S554-N558 PolarHBondContact O-ND2 3.22Å
555I76.4Confident69.8Low78 Ų7889.8 Ų89.840%0.446%0.457SS..Hα-helixtrans-69.2-46.4177.9-61.1176.8000109.7Y552 H553 L557 N558 I559Y552-I555 HydrophobicContact CD2-CD1 3.94Å; Y552-I555 HydrophobicContact CG-CD1 4.49Å; Y552-I555 WeakPolarHBondContact O-CB 3.37Å; Y552-I555 PolarHBondContact O-N 2.9Å; H553-I555 VanDerWaalsContact C-N 3.34Å; H553-I555 PolarHBondContact O-N 2.92Å; I555-L557 VanDerWaalsContact C-N 3.34Å; I555-L557 PolarHBondContact O-N 2.83Å; I555-N558 PolarHBondContact O-N 3.32Å; I555-I559 HydrophobicContact CG2-CD1 3.89Å; I555-I559 HydrophobicContact CG2-CG1 4.44Å; I555-I559 VanDerWaalsContact O-CG1 3.3Å; I555-I559 WeakPolarHBondContact O-CG1 3.48Å; I555-I559 PolarHBondContact O-N 3.28Å
556F74Confident69.8Low37 Ų3787.8 Ų87.816%0.16245%0.448CS..Hα-helixtrans-57.2-47.6177.1174.3-100.8000111.8L548 Y552 H553 N558 I559 C560 I595L548-F556 HydrophobicContact CD2-CD2 3.45Å; L548-F556 VanDerWaalsContact CD2-CD2 3.45Å; L548-F556 HydrophobicContact CD2-CE2 3.44Å; L548-F556 VanDerWaalsContact CD2-CE2 3.44Å; L548-F556 HydrophobicContact CD2-CG 4.2Å; L548-F556 HydrophobicContact CD2-CZ 4.18Å; Y552-F556 PolarHBondContact O-N 3.33Å; Y552-F556 VanDerWaalsContact O-N 3.09Å; H553-F556 PolarHBondContact O-N 3.04Å; F556-N558 VanDerWaalsContact C-N 3.34Å; F556-N558 PolarHBondContact O-N 3.15Å; F556-I559 WeakPolarHBondContact O-CB 3.14Å; F556-I559 PolarHBondContact O-N 3.29Å; F556-C560 PolarHBondContact O-N 3.49Å; F556-C560 PolarHBondContact O-SG 3.48Å; F556-C560 VanDerWaalsContact O-SG 3.37Å; F556-I595 HydrophobicContact CE1-CD1 3.65Å; F556-I595 HydrophobicContact CZ-CD1 4.14Å
557L73.1Confident69.7Low33 Ų3386.4 Ų86.417%0.17343%0.433CS..Hα-helixtrans-65.1-36.5178.1-66.9178.6000112.5H553 I555 C560 K561 F587H553-L557 WeakPolarHBondContact O-CB 3.31Å; H553-L557 VanDerWaalsContact O-CG 3.25Å; H553-L557 WeakPolarHBondContact O-CG 3.46Å; H553-L557 PolarHBondContact O-N 2.92Å; I555-L557 VanDerWaalsContact C-N 3.34Å; I555-L557 PolarHBondContact O-N 2.83Å; L557-C560 WeakPolarHBondContact O-CB 3.3Å; L557-C560 PolarHBondContact O-N 3.46Å; L557-K561 VanDerWaalsContact O-CG 3.32Å; L557-K561 WeakPolarHBondContact O-CG 3.35Å; L557-K561 PolarHBondContact O-N 2.9Å; L557-F587 HydrophobicContact CB-CD2 4.03Å; L557-F587 HydrophobicContact CB-CE2 3.96Å; L557-F587 HydrophobicContact CD1-CB 3.88Å; L557-F587 HydrophobicContact CD1-CD2 3.81Å; L557-F587 HydrophobicContact CD1-CG 3.93Å; L557-F587 HydrophobicContact CD2-CB 4.04Å; L557-F587 HydrophobicContact CD2-CD1 3.49Å; L557-F587 VanDerWaalsContact CD2-CD1 3.49Å; L557-F587 HydrophobicContact CD2-CD2 3.62Å; L557-F587 HydrophobicContact CD2-CE1 3.71Å; L557-F587 HydrophobicContact CD2-CE2 3.83Å; L557-F587 HydrophobicContact CD2-CG 3.44Å; L557-F587 VanDerWaalsContact CD2-CG 3.44Å; L557-F587 HydrophobicContact CD2-CZ 3.88Å; L557-F587 HydrophobicContact CG-CD2 4.01Å; L557-F587 HydrophobicContact CG-CE2 4.31Å; L557-F587 HydrophobicContact CG-CG 4.19Å
558N73.4Confident69.6Low85 Ų8585.8 Ų85.846%0.45543%0.43SS..Hα-helixtrans-65.6-38.9173.8-75.1-16.6000112.1S554 I555 F556 K561 W562S554-N558 WeakPolarHBondContact O-CB 3.39Å; S554-N558 PolarHBondContact O-N 3.27Å; S554-N558 PolarHBondContact O-ND2 3.22Å; I555-N558 PolarHBondContact O-N 3.32Å; F556-N558 VanDerWaalsContact C-N 3.34Å; F556-N558 PolarHBondContact O-N 3.15Å; N558-K561 WeakPolarHBondContact O-CB 3.45Å; N558-K561 PolarHBondContact O-N 3.39Å; N558-W562 WeakPolarHBondContact O-CB 3.15Å; N558-W562 VanDerWaalsContact O-CD1 3.28Å; N558-W562 PolarHBondContact O-N 3.3Å
559I75.1Confident69Low73 Ų7388.8 Ų88.837%0.37444%0.441SS..Hα-helixtrans-62.6-45173.3-67.2165.5000110I555 F556 K561 W562 N563I555-I559 HydrophobicContact CG2-CD1 3.89Å; I555-I559 HydrophobicContact CG2-CG1 4.44Å; I555-I559 VanDerWaalsContact O-CG1 3.3Å; I555-I559 WeakPolarHBondContact O-CG1 3.48Å; I555-I559 PolarHBondContact O-N 3.28Å; F556-I559 WeakPolarHBondContact O-CB 3.14Å; F556-I559 PolarHBondContact O-N 3.29Å; I559-K561 VanDerWaalsContact C-N 3.34Å; I559-K561 PolarHBondContact O-N 3.16Å; I559-W562 PolarHBondContact O-N 3.16Å; I559-N563 WeakPolarHBondContact CG2-ND2 3.31Å; I559-N563 PolarHBondContact O-N 2.88Å; I559-N563 PolarHBondContact O-ND2 3.12Å
560C72.3Confident68.2Low9 Ų989.9 Ų89.96%0.06143%0.433CS..Hα-helixtrans-57.6-46.8175.1-700000111.5F556 L557 W562 N563 C564 I565 F587F556-C560 PolarHBondContact O-N 3.49Å; F556-C560 PolarHBondContact O-SG 3.48Å; F556-C560 VanDerWaalsContact O-SG 3.37Å; L557-C560 WeakPolarHBondContact O-CB 3.3Å; L557-C560 PolarHBondContact O-N 3.46Å; C560-W562 PolarHBondContact O-N 2.98Å; C560-N563 CarbonylContact O-C 3.51Å; C560-N563 PolarHBondContact O-N 3Å; C560-N563 VanDerWaalsContact O-N 3.16Å; C560-C564 PolarHBondContact O-N 3.5Å; C560-I565 HydrophobicContact CB-CB 4.19Å; C560-I565 WeakPolarHBondContact CB-O 3Å; C560-I565 WeakPolarHBondContact O-CA 3.36Å; C560-I565 PolarHBondContact O-N 3.37Å; C560-F587 HydrophobicContact CB-CZ 4.33Å
561K70.3Confident67.3Low84 Ų8484.9 Ų84.937%0.36541%0.413SS..Hα-helixtrans-58-46174.8-73-178.4172.4-172.50112.8L557 N558 I559 N563 C564 E566 F587L557-K561 VanDerWaalsContact O-CG 3.32Å; L557-K561 WeakPolarHBondContact O-CG 3.35Å; L557-K561 PolarHBondContact O-N 2.9Å; N558-K561 WeakPolarHBondContact O-CB 3.45Å; N558-K561 PolarHBondContact O-N 3.39Å; I559-K561 VanDerWaalsContact C-N 3.34Å; I559-K561 PolarHBondContact O-N 3.16Å; K561-N563 PolarHBondContact O-N 3.01Å; K561-C564 PolarHBondContact O-N 3.4Å; K561-E566 WeakPolarHBondContact CE-OE1 3.42Å; K561-E566 WeakPolarHBondContact CG-OE2 3.38Å; K561-E566 IonicContact NZ-OE1 3.5Å; K561-F587 HydrophobicContact CD-CE2 4.42Å; K561-F587 HydrophobicContact CG-CE2 4.04Å; K561-F587 HydrophobicContact CG-CZ 4.41Å
562W70.4Confident66.5Low224 Ų22482.3 Ų82.385%0.84840%0.403SS*.Hα-helixtrans-63.3-30.6178.3-76.916.5000112.7N558 I559 C560 C564N558-W562 WeakPolarHBondContact O-CB 3.15Å; N558-W562 VanDerWaalsContact O-CD1 3.28Å; N558-W562 PolarHBondContact O-N 3.3Å; I559-W562 PolarHBondContact O-N 3.16Å; C560-W562 PolarHBondContact O-N 2.98Å; W562-C564 VanDerWaalsContact C-N 3.29Å
563N70.3Confident65.2Low104 Ų10478.4 Ų78.456%0.55639%0.394SS*.THydrogen-bonded Turntrans-89.210.8175.4-70.6-79.7000113.2I559 C560 K561 I565I559-N563 WeakPolarHBondContact CG2-ND2 3.31Å; I559-N563 PolarHBondContact O-N 2.88Å; I559-N563 PolarHBondContact O-ND2 3.12Å; C560-N563 CarbonylContact O-C 3.51Å; C560-N563 PolarHBondContact O-N 3Å; C560-N563 VanDerWaalsContact O-N 3.16Å; K561-N563 PolarHBondContact O-N 3.01Å; N563-I565 HydrophobicContact CB-CD1 3.89Å; N563-I565 HydrophobicContact CB-CG1 3.92Å; N563-I565 PolarHBondContact O-N 3.01Å
564C65.6Low64Low79 Ų7974 Ų7453%0.53438%0.383SS..THydrogen-bonded Turntrans57.127.4-176.1-58.30000113.9C560 K561 W562 E566C560-C564 PolarHBondContact O-N 3.5Å; K561-C564 PolarHBondContact O-N 3.4Å; W562-C564 VanDerWaalsContact C-N 3.29Å; C564-E566 PolarHBondContact O-N 3.41Å
565I66.1Low62.5Low70 Ų7073 Ų7336%0.35939%0.385SS..  trans-95.867.8173.8-48.5174.8000107.3C560 N563 L597C560-I565 HydrophobicContact CB-CB 4.19Å; C560-I565 WeakPolarHBondContact CB-O 3Å; C560-I565 WeakPolarHBondContact O-CA 3.36Å; C560-I565 PolarHBondContact O-N 3.37Å; N563-I565 HydrophobicContact CB-CD1 3.89Å; N563-I565 HydrophobicContact CB-CG1 3.92Å; N563-I565 PolarHBondContact O-N 3.01Å; I565-L597 HydrophobicContact CG2-CD1 4.13Å; I565-L597 HydrophobicContact CG2-CD2 4.04Å
566E63.9Low60.3Low60 Ų6073.8 Ų73.828%0.2840%0.398SS..  trans-133.8141.5177-174.2172.4-160.400110K561 C564 N568 F587K561-E566 WeakPolarHBondContact CE-OE1 3.42Å; K561-E566 WeakPolarHBondContact CG-OE2 3.38Å; K561-E566 IonicContact NZ-OE1 3.5Å; C564-E566 PolarHBondContact O-N 3.41Å; E566-N568 PolarHBondContact O-N 3.17Å; E566-F587 HydrophobicContact CB-CZ 4.27Å; E566-F587 HydrophobicContact CG-CE2 4.26Å; E566-F587 HydrophobicContact CG-CZ 3.98Å
567F59.8Low58.3Low41 Ų4178 Ų7818%0.1843%0.429CS..EExtended strand (participates in β ladder)trans-74.2113.2173.2-178.6-99.6000110.2A501 T502 K569A501-F567 WeakPolarHBondContact O-CE1 3.39Å; T502-F567 HydrophobicContact CG2-CE2 3.81Å; T502-F567 HydrophobicContact CG2-CZ 3.74Å; F567-K569 HydrophobicContact CD1-CG 4.1Å; F567-K569 HydrophobicContact CE1-CG 4.11Å; F567-K569 PolarHBondContact O-N 3.43Å
568N60.2Low56.2Low78 Ų7879 Ų7942%0.41745%0.447SS..EExtended strand (participates in β ladder)trans-83.5102.6178.3-176.7-26000110.5E566 K570 S571 G572 L573E566-N568 PolarHBondContact O-N 3.17Å; N568-K570 PolarHBondContact O-N 3.02Å; N568-K570 VanDerWaalsContact O-N 3.09Å; N568-K570 WeakPolarHBondContact OD1-CA 3.44Å; N568-K570 WeakPolarHBondContact OD1-CB 3.49Å; N568-K570 PolarHBondContact OD1-N 3.4Å; N568-S571 VanDerWaalsContact CB-OG 3.27Å; N568-S571 WeakPolarHBondContact CB-OG 3.31Å; N568-S571 PolarHBondContact ND2-OG 3.41Å; N568-S571 PolarHBondContact O-N 3Å; N568-S571 PolarHBondContact OD1-N 2.88Å; N568-G572 WeakPolarHBondContact O-CA 3.11Å; N568-G572 PolarHBondContact O-N 2.87Å; N568-L573 WeakPolarHBondContact CB-O 3.26Å; N568-L573 PolarHBondContact N-O 3.43Å
569K54.6Low53.9Low102 Ų10281 Ų8144%0.44347%0.468SS..THydrogen-bonded Turntrans-58-21178-74.2179.8-179.9163.20114.9F567 S585 E586F567-K569 HydrophobicContact CD1-CG 4.1Å; F567-K569 HydrophobicContact CE1-CG 4.11Å; F567-K569 PolarHBondContact O-N 3.43Å; K569-S585 VanDerWaalsContact CE-O 3.23Å; K569-S585 WeakPolarHBondContact CE-O 3.28Å; K569-S585 PolarHBondContact NZ-O 3.21Å; K569-E586 PolarHBondContact NZ-O 3.09Å
570K48.6Very low51.8Low126 Ų12683.5 Ų83.555%0.54849%0.491SS..THydrogen-bonded Turntrans-85.1-36.3178.7-68.2-179.8-178.8170.90112.4N568 L583N568-K570 PolarHBondContact O-N 3.02Å; N568-K570 VanDerWaalsContact O-N 3.09Å; N568-K570 WeakPolarHBondContact OD1-CA 3.44Å; N568-K570 WeakPolarHBondContact OD1-CB 3.49Å; N568-K570 PolarHBondContact OD1-N 3.4Å; K570-L583 VanDerWaalsContact NZ-CD1 3.26Å
571S52.1Low49.7Very low45 Ų4586.4 Ų86.432%0.31552%0.523SS..THydrogen-bonded Turntrans-100-12.2-179.663.30000113.9R535 N568 L573R535-S571 PolarHBondContact NH1-O 3.06Å; R535-S571 PolarHBondContact NH2-O 3.3Å; N568-S571 VanDerWaalsContact CB-OG 3.27Å; N568-S571 WeakPolarHBondContact CB-OG 3.31Å; N568-S571 PolarHBondContact ND2-OG 3.41Å; N568-S571 PolarHBondContact O-N 3Å; N568-S571 PolarHBondContact OD1-N 2.88Å; S571-L573 PolarHBondContact O-N 3.17Å
572G51.4Low47.7Very low16 Ų1689.5 Ų89.517%0.16554%0.544CS..THydrogen-bonded Turntrans65.619.6-175.400000113.8R535 N568R535-G572 PolarHBondContact NH1-O 3.12Å; N568-G572 WeakPolarHBondContact O-CA 3.11Å; N568-G572 PolarHBondContact O-N 2.87Å
573L49.3Very low45.5Very low98 Ų9885.5 Ų85.551%0.51354%0.538SS..EExtended strand (participates in β ladder)trans-110.2132-179.5-68168.9000109.7R535 N568 S571R535-L573 VanDerWaalsContact NH1-CD2 3.29Å; R535-L573 VanDerWaalsContact NH1-CG 3.3Å; N568-L573 WeakPolarHBondContact CB-O 3.26Å; N568-L573 PolarHBondContact N-O 3.43Å; S571-L573 PolarHBondContact O-N 3.17Å
574G44.9Very low43.5Very low36 Ų3686 Ų8637%0.37155%0.548SS..EExtended strand (participates in β ladder)trans-113.5126.2163.500000109
575G41.6Very low41.7Very low55 Ų5584.7 Ų84.757%0.56754%0.54SS*.  trans8285.4173.200000115.9
576S29.5Very low40Very low95 Ų9588.9 Ų88.966%0.66456%0.558SS**  trans-152130.3150.3-153.50000109.3G578S576-G578 PolarHBondContact O-N 3.4Å
577P31Very low38.5Very low125 Ų12588 Ų8881%0.81255%0.554SS**  trans-75.492.3176.330.6-29.5000107.9
578G30.1Very low37.2Very low54 Ų5490.6 Ų90.656%0.55757%0.573SS**  trans-176.5111.3-17900000114.3S576S576-G578 PolarHBondContact O-N 3.4Å
579S25Very low35.7Very low128 Ų12890.6 Ų90.690%0.89558%0.579SS**  trans83.7126.416275.60000118.7
580S31.5Very low34.5Very low124 Ų12492 Ų9287%0.86759%0.587SS**  trans-62.2146.3-177.845.40000115.5
581G27.3Very low33.4Very low70 Ų7092 Ų9272%0.72260%0.602SS**  trans132.4100.9152.100000114.6
582D27.7Very low32.2Very low150 Ų15094 Ų9480%0.80262%0.616SS**  trans37.6113.2148.6-70.6-20000119.8
583L26Very low31.2Very low139 Ų13995.2 Ų95.273%0.72863%0.629SS**  153136.5118.8-81.6149.7000114.7K570K570-L583 VanDerWaalsContact NZ-CD1 3.26Å
584C26.9Very low30.5Very low114 Ų11493 Ų9377%0.7762%0.618SS**  trans-31.9139.5170.2-610000119.2
585S29Very low30.1Very low53 Ų5393.1 Ų93.137%0.37161%0.609SS.*  161.5129.410153.60000115.8K569K569-S585 VanDerWaalsContact CE-O 3.23Å; K569-S585 WeakPolarHBondContact CE-O 3.28Å; K569-S585 PolarHBondContact NZ-O 3.21Å
586E28.9Very low29.7Very low158 Ų15892.4 Ų92.474%0.73859%0.594SS**  trans50.4114.4154.7-67.2177166.100121.8K569K569-E586 PolarHBondContact NZ-O 3.09Å
587F32.6Very low30Very low41 Ų4191.8 Ų91.818%0.1858%0.583CS.*  trans-76.9135.4159.4-72.8-88.6000110.9L557 C560 K561 E566 S589L557-F587 HydrophobicContact CB-CD2 4.03Å; L557-F587 HydrophobicContact CB-CE2 3.96Å; L557-F587 HydrophobicContact CD1-CB 3.88Å; L557-F587 HydrophobicContact CD1-CD2 3.81Å; L557-F587 HydrophobicContact CD1-CG 3.93Å; L557-F587 HydrophobicContact CD2-CB 4.04Å; L557-F587 HydrophobicContact CD2-CD1 3.49Å; L557-F587 VanDerWaalsContact CD2-CD1 3.49Å; L557-F587 HydrophobicContact CD2-CD2 3.62Å; L557-F587 HydrophobicContact CD2-CE1 3.71Å; L557-F587 HydrophobicContact CD2-CE2 3.83Å; L557-F587 HydrophobicContact CD2-CG 3.44Å; L557-F587 VanDerWaalsContact CD2-CG 3.44Å; L557-F587 HydrophobicContact CD2-CZ 3.88Å; L557-F587 HydrophobicContact CG-CD2 4.01Å; L557-F587 HydrophobicContact CG-CE2 4.31Å; L557-F587 HydrophobicContact CG-CG 4.19Å; C560-F587 HydrophobicContact CB-CZ 4.33Å; K561-F587 HydrophobicContact CD-CE2 4.42Å; K561-F587 HydrophobicContact CG-CE2 4.04Å; K561-F587 HydrophobicContact CG-CZ 4.41Å; E566-F587 HydrophobicContact CB-CZ 4.27Å; E566-F587 HydrophobicContact CG-CE2 4.26Å; E566-F587 HydrophobicContact CG-CZ 3.98Å; F587-S589 PolarHBondContact O-N 3.1Å
588V32.2Very low30Very low96 Ų9690.1 Ų90.158%0.58257%0.571SS**  trans-89.793.4169.8-1750000108.4M497M497-V588 HydrophobicContact CE-CB 4.39Å; M497-V588 HydrophobicContact CE-CG1 3.67Å
589S30.6Very low30Very low78 Ų7892 Ų9255%0.54557%0.572SS.*  trans-95.6121.4167.959.50000109.7F587F587-S589 PolarHBondContact O-N 3.1Å
590H28.3Very low30.3Very low131 Ų13190 Ų9061%0.60655%0.554SS**  trans-92144.5160.4-111.3-66.8000108.6S592 G593H590-S592 PolarHBondContact O-N 2.74Å; H590-G593 PolarHBondContact O-N 2.9Å
591S25.3Very low30.2Very low126 Ų12688 Ų8888%0.88154%0.536SS*.THydrogen-bonded Turntrans-60.314.6-178.455.60000115.9
592S27.6Very low30.4Very low87 Ų8789.1 Ų89.161%0.60852%0.524SS*.THydrogen-bonded Turntrans-116.710.1-176.854.80000114.4H590H590-S592 PolarHBondContact O-N 2.74Å
593G30.9Very low30.6Very low42 Ų4285.1 Ų85.143%0.43351%0.505SS..SBendtrans82.915.9169.300000116.1H590H590-G593 PolarHBondContact O-N 2.9Å
594N33.3Very low30.9Very low51 Ų5181.2 Ų81.227%0.27349%0.49SS..  trans-97.7125.1174.1-66.6-9.9000109.6M494 I541M494-N594 HydrophobicContact CE-CB 4.06Å; M494-N594 HydrophobicContact SD-CB 3.75Å; I541-N594 PolarHBondContact O-OD1 3.33Å
595I36.2Very low31.2Very low38 Ų3878.7 Ų78.720%0.19547%0.468CS..  trans-118.1125.4178-61.6162.1000107.2L543 F556 L597L543-I595 HydrophobicContact CD2-CD1 4.32Å; F556-I595 HydrophobicContact CE1-CD1 3.65Å; F556-I595 HydrophobicContact CZ-CD1 4.14Å; I595-L597 HydrophobicContact CG2-CD2 3.68Å; I595-L597 HydrophobicContact CG2-CG 3.84Å
596V34.7Very low31.4Very low40 Ų4080.8 Ų80.824%0.24248%0.476CS..  trans-92.8117.4163.4-176.80000105.9M494 M497M494-V596 HydrophobicContact CE-CG2 3.48Å; M494-V596 VanDerWaalsContact CE-CG2 3.48Å; M497-V596 HydrophobicContact CB-CG2 4.03Å
597L35.9Very low31.6Very low82 Ų8273.8 Ų73.843%0.42945%0.452SS..  trans-96.20174.5-70.5177.8000110.6I565 I595I565-L597 HydrophobicContact CG2-CD1 4.13Å; I565-L597 HydrophobicContact CG2-CD2 4.04Å; I595-L597 HydrophobicContact CG2-CD2 3.68Å; I595-L597 HydrophobicContact CG2-CG 3.84Å

Retrieved 597 of 597 residues in 1057.5 ms (Link to these results)

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