A0A077ZA01_TRITR Loading...

NADP-dependent oxidoreductase

AlphaFold DB , UniProt , Accession A0A077ZA01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 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
1M56.5Low71.9Confident180 Ų18061.5 Ų61.589%0.88729%0.294SS*.  0-53.80-14062.192.800111.3A3 Y4 F5M1-A3 PolarHBondContact O-N 3.32Å; M1-Y4 PolarHBondContact O-N 3.16Å; M1-F5 HydrophobicContact CG-CD2 3.68Å; M1-F5 HydrophobicContact CG-CE2 3.5Å; M1-F5 WeakPolarHBondContact O-CD2 3.37Å; M1-F5 PolarHBondContact O-N 3.35Å; M1-F5 HydrophobicContact SD-CD2 4.28Å; M1-F5 HydrophobicContact SD-CE2 3.67Å
2T68.4Low72.9Confident66 Ų6665.4 Ų65.441%0.40531%0.312SS..Hα-helixtrans-56.9-43-172.1-32.20000114.7Y4 G6 C113T2-Y4 VanDerWaalsContact C-N 3.34Å; T2-Y4 PolarHBondContact O-N 2.81Å; T2-G6 VanDerWaalsContact O-CA 3.27Å; T2-G6 WeakPolarHBondContact O-CA 3.12Å; T2-G6 PolarHBondContact O-N 3.47Å; T2-C113 HydrophobicContact CG2-CB 4.26Å; T2-C113 WeakPolarHBondContact CG2-SG 3.47Å
3A67.5Low74.2Confident6 Ų661 Ų615%0.0529%0.293CS..Hα-helixtrans-61.1-43.217700000112M1 G6 M7 V28 V31 A32 M35M1-A3 PolarHBondContact O-N 3.32Å; A3-G6 PolarHBondContact O-N 2.86Å; A3-M7 VanDerWaalsContact O-CB 3.31Å; A3-M7 WeakPolarHBondContact O-CB 3.19Å; A3-M7 WeakPolarHBondContact O-CG 3.22Å; A3-M7 PolarHBondContact O-N 2.99Å; A3-V28 HydrophobicContact CB-CG1 3.67Å; A3-V31 HydrophobicContact CB-CB 4.01Å; A3-V31 HydrophobicContact CB-CG1 3.92Å; A3-A32 HydrophobicContact CB-CB 4.25Å; A3-M35 HydrophobicContact CB-CE 3.34Å; A3-M35 WeakPolarHBondContact O-CE 3.48Å
4Y67.7Low75.4Confident129 Ų12966.8 Ų66.851%0.50632%0.316SS..Hα-helixtrans-65.9-55.6-173.6177.8-88.8000111M1 T2 G6 M7 L8 M35M1-Y4 PolarHBondContact O-N 3.16Å; T2-Y4 VanDerWaalsContact C-N 3.34Å; T2-Y4 PolarHBondContact O-N 2.81Å; Y4-G6 VanDerWaalsContact C-N 3.31Å; Y4-G6 PolarHBondContact O-N 2.91Å; Y4-M7 PolarHBondContact O-N 2.93Å; Y4-L8 HydrophobicContact CD1-CD1 4.15Å; Y4-L8 HydrophobicContact CD2-CD1 3.7Å; Y4-L8 HydrophobicContact CE1-CD1 3.74Å; Y4-L8 HydrophobicContact CE2-CD1 3.26Å; Y4-L8 HydrophobicContact CG-CD1 4.13Å; Y4-L8 WeakPolarHBondContact O-CB 3.25Å; Y4-L8 PolarHBondContact O-N 3.4Å; Y4-M35 VanDerWaalsContact CA-SD 3.59Å; Y4-M35 HydrophobicContact CD2-SD 4.01Å; Y4-M35 HydrophobicContact CG-SD 4.46Å
5F72.2Confident76.7Confident91 Ų9174.3 Ų74.340%0.39935%0.347SS..Hα-helixtrans-62.6-43.8175.7-72.2-86.6000110.2M1 M7 L8 D9 Y10M1-F5 HydrophobicContact CG-CD2 3.68Å; M1-F5 HydrophobicContact CG-CE2 3.5Å; M1-F5 WeakPolarHBondContact O-CD2 3.37Å; M1-F5 PolarHBondContact O-N 3.35Å; M1-F5 HydrophobicContact SD-CD2 4.28Å; M1-F5 HydrophobicContact SD-CE2 3.67Å; F5-M7 VanDerWaalsContact C-N 3.33Å; F5-M7 PolarHBondContact O-N 3.29Å; F5-L8 PolarHBondContact O-N 2.94Å; F5-D9 WeakPolarHBondContact CA-OD2 3.12Å; F5-D9 WeakPolarHBondContact CD1-OD2 3.26Å; F5-D9 WeakPolarHBondContact O-CA 3.47Å; F5-D9 WeakPolarHBondContact O-CB 3.02Å; F5-D9 PolarHBondContact O-N 3.35Å; F5-Y10 HydrophobicContact CB-CD2 4.33Å; F5-Y10 HydrophobicContact CB-CE2 4.01Å; F5-Y10 VanDerWaalsContact O-CD2 3.24Å; F5-Y10 WeakPolarHBondContact O-CD2 3.46Å; F5-Y10 PolarHBondContact O-N 2.94Å; F5-Y10 VanDerWaalsContact O-N 3.1Å
6G74Confident77.7Confident1 Ų173.3 Ų73.31%0.0136%0.362CS..Iπ-helixtrans-53.6-45.1177.900000113.7T2 A3 Y4 Y10 C11 C111T2-G6 VanDerWaalsContact O-CA 3.27Å; T2-G6 WeakPolarHBondContact O-CA 3.12Å; T2-G6 PolarHBondContact O-N 3.47Å; A3-G6 PolarHBondContact O-N 2.86Å; Y4-G6 VanDerWaalsContact C-N 3.31Å; Y4-G6 PolarHBondContact O-N 2.91Å; G6-Y10 WeakPolarHBondContact O-CB 3.26Å; G6-C11 WeakPolarHBondContact O-CB 3.49Å; G6-C11 PolarHBondContact O-N 3.34Å; G6-C11 PolarHBondContact O-SG 3.22Å; G6-C11 VanDerWaalsContact O-SG 3.41Å; G6-C111 WeakPolarHBondContact CA-SG 3.15Å
7M75.5Confident78.7Confident0 Ų070.1 Ų70.10%035%0.347CS..Iπ-helixtrans-79.4-41.5-178.9-74.9-60.2-51.200113.4A3 Y4 F5 C11 Q12 A13 V19 A32 M35 A36 F89A3-M7 VanDerWaalsContact O-CB 3.31Å; A3-M7 WeakPolarHBondContact O-CB 3.19Å; A3-M7 WeakPolarHBondContact O-CG 3.22Å; A3-M7 PolarHBondContact O-N 2.99Å; Y4-M7 PolarHBondContact O-N 2.93Å; F5-M7 VanDerWaalsContact C-N 3.33Å; F5-M7 PolarHBondContact O-N 3.29Å; M7-C11 WeakPolarHBondContact O-CB 3.24Å; M7-Q12 PolarHBondContact O-N 3.31Å; M7-A13 HydrophobicContact CE-CB 3.52Å; M7-A13 PolarHBondContact O-N 3.15Å; M7-A13 VanDerWaalsContact O-N 3.12Å; M7-V19 HydrophobicContact CE-CG1 3.85Å; M7-V19 HydrophobicContact CE-CG2 4.09Å; M7-V19 HydrophobicContact SD-CG1 4.14Å; M7-A32 HydrophobicContact CG-CB 4.01Å; M7-A32 HydrophobicContact SD-CB 4.18Å; M7-M35 HydrophobicContact CB-CB 4.48Å; M7-M35 HydrophobicContact CB-CE 4.15Å; M7-M35 HydrophobicContact CG-CB 4.43Å; M7-M35 HydrophobicContact CG-CE 3.91Å; M7-A36 HydrophobicContact CE-CB 3.57Å; M7-F89 HydrophobicContact CG-CD2 4.04Å; M7-F89 HydrophobicContact CG-CE2 4.14Å; M7-F89 HydrophobicContact SD-CB 4.42Å; M7-F89 HydrophobicContact SD-CD2 3.61Å; M7-F89 HydrophobicContact SD-CE2 4.31Å; M7-F89 HydrophobicContact SD-CG 4.38Å
8L76.1Confident79.6Confident55 Ų5567.2 Ų67.229%0.28833%0.334SS..Iπ-helixtrans-88.3-48.1-172.9-67.5172.4000113Y4 F5 Q12 L39Y4-L8 HydrophobicContact CD1-CD1 4.15Å; Y4-L8 HydrophobicContact CD2-CD1 3.7Å; Y4-L8 HydrophobicContact CE1-CD1 3.74Å; Y4-L8 HydrophobicContact CE2-CD1 3.26Å; Y4-L8 HydrophobicContact CG-CD1 4.13Å; Y4-L8 WeakPolarHBondContact O-CB 3.25Å; Y4-L8 PolarHBondContact O-N 3.4Å; F5-L8 PolarHBondContact O-N 2.94Å; L8-Q12 WeakPolarHBondContact O-CA 3.35Å; L8-L39 HydrophobicContact CD2-CD1 3.62Å; L8-L39 HydrophobicContact CD2-CD2 3.72Å; L8-L39 HydrophobicContact CD2-CG 4.24Å
9D75.6Confident80.5Confident76 Ų7663.7 Ų63.741%0.40632%0.316SS..Iπ-helixtrans-90.4-37.8-172.8-56.6-61.9000111.5F5F5-D9 WeakPolarHBondContact CA-OD2 3.12Å; F5-D9 WeakPolarHBondContact CD1-OD2 3.26Å; F5-D9 WeakPolarHBondContact O-CA 3.47Å; F5-D9 WeakPolarHBondContact O-CB 3.02Å; F5-D9 PolarHBondContact O-N 3.35Å
10Y77.1Confident81.2Confident72 Ų7260.5 Ų60.528%0.28230%0.301SS..Iπ-helixtrans-90-57.2-177.9-61.5-85000112.6F5 G6 Q12 H109 V126 M128F5-Y10 HydrophobicContact CB-CD2 4.33Å; F5-Y10 HydrophobicContact CB-CE2 4.01Å; F5-Y10 VanDerWaalsContact O-CD2 3.24Å; F5-Y10 WeakPolarHBondContact O-CD2 3.46Å; F5-Y10 PolarHBondContact O-N 2.94Å; F5-Y10 VanDerWaalsContact O-N 3.1Å; G6-Y10 WeakPolarHBondContact O-CB 3.26Å; Y10-Q12 VanDerWaalsContact C-N 3.26Å; Y10-Q12 PolarHBondContact O-N 2.9Å; Y10-H109 WeakPolarHBondContact O-CB 3.01Å; Y10-H109 PolarHBondContact O-ND1 3.07Å; Y10-V126 HydrophobicContact CD1-CB 4.44Å; Y10-V126 HydrophobicContact CD1-CG1 3.52Å; Y10-V126 HydrophobicContact CD2-CG1 4.25Å; Y10-V126 HydrophobicContact CE1-CB 4.13Å; Y10-V126 HydrophobicContact CE1-CG1 3.69Å; Y10-V126 HydrophobicContact CE2-CG1 4.37Å; Y10-V126 HydrophobicContact CG-CG1 3.87Å; Y10-M128 HydrophobicContact CD1-CE 3.02Å; Y10-M128 HydrophobicContact CD1-CG 3.52Å; Y10-M128 HydrophobicContact CD1-SD 3.72Å; Y10-M128 HydrophobicContact CE1-CE 3.37Å; Y10-M128 HydrophobicContact CE1-CG 4.03Å; Y10-M128 HydrophobicContact CE1-SD 3.82Å; Y10-M128 HydrophobicContact CG-CE 3.86Å
11C80Confident81.9Confident0 Ų057.6 Ų57.60%029%0.286CS..SBendtrans-71.3-21.5177.5-75.80000113.1G6 M7 A13 C87 H109 C111G6-C11 WeakPolarHBondContact O-CB 3.49Å; G6-C11 PolarHBondContact O-N 3.34Å; G6-C11 PolarHBondContact O-SG 3.22Å; G6-C11 VanDerWaalsContact O-SG 3.41Å; M7-C11 WeakPolarHBondContact O-CB 3.24Å; C11-A13 HydrophobicContact CB-CB 4.39Å; C11-A13 PolarHBondContact O-N 2.92Å; C11-C87 HydrophobicContact CB-CB 3.84Å; C11-C87 PolarHBondContact O-SG 3.12Å; C11-H109 VanDerWaalsContact O-CB 3.31Å; C11-H109 WeakPolarHBondContact O-CB 3.34Å; C11-C111 WeakPolarHBondContact SG-CB 3.22Å
12Q84.5Confident83.8Confident109 Ų10949 Ų4951%0.50924%0.244SC..  trans47.936.1-174.7-59.3-178.135.500112.4M7 L8 Y10 K14M7-Q12 PolarHBondContact O-N 3.31Å; L8-Q12 WeakPolarHBondContact O-CA 3.35Å; Y10-Q12 VanDerWaalsContact C-N 3.26Å; Y10-Q12 PolarHBondContact O-N 2.9Å; Q12-K14 PolarHBondContact O-N 3.35Å
13A89.1Confident85Confident8 Ų847 Ų477%0.06623%0.233CC..  trans-63.5127.2-172.100000109.7M7 C11 V19 L39M7-A13 HydrophobicContact CE-CB 3.52Å; M7-A13 PolarHBondContact O-N 3.15Å; M7-A13 VanDerWaalsContact O-N 3.12Å; C11-A13 HydrophobicContact CB-CB 4.39Å; C11-A13 PolarHBondContact O-N 2.92Å; A13-V19 HydrophobicContact CB-CG2 4.18Å; A13-L39 HydrophobicContact CB-CD1 4.13Å
14K91.4Very high86.4Confident142 Ų14246.7 Ų46.762%0.61723%0.231SC*.  trans-128.1161-18054.4177.8176.5-164.10110.5Q12 G16 N17 C41Q12-K14 PolarHBondContact O-N 3.35Å; K14-G16 PolarHBondContact O-N 3.01Å; K14-N17 WeakPolarHBondContact CG-OD1 3.45Å; K14-N17 PolarHBondContact N-OD1 3.05Å; K14-N17 VanDerWaalsContact O-CB 3.22Å; K14-N17 WeakPolarHBondContact O-CB 3.33Å; K14-N17 PolarHBondContact O-N 3.27Å; K14-N17 PolarHBondContact O-OD1 2.94Å; K14-C41 PolarHBondContact O-SG 3.47Å
15K95.1Very high87.7Confident180 Ų18041.6 Ų41.678%0.78322%0.216SC*.THydrogen-bonded Turntrans-48132.3178.7-176177.4179.9-179.80111.6N17 L39K15-N17 VanDerWaalsContact C-N 3.31Å; K15-L39 WeakPolarHBondContact CA-O 3.31Å; K15-L39 WeakPolarHBondContact CB-O 3.5Å; K15-L39 PolarHBondContact N-O 3.16Å; K15-L39 VanDerWaalsContact N-O 3.16Å
16G93Very high88.6Confident57 Ų5738.7 Ų38.759%0.58821%0.212SC*.THydrogen-bonded Turntrans88-9.9-177.800000114.4K14 G40K14-G16 PolarHBondContact O-N 3.01Å; G16-G40 PolarHBondContact N-O 3.32Å
17N94.4Very high89.3Confident20 Ų2042.8 Ų42.811%0.10725%0.245CC..  trans-69.3152.3175-77.2151.2000113K14 K15 C41 T42 D86K14-N17 WeakPolarHBondContact CG-OD1 3.45Å; K14-N17 PolarHBondContact N-OD1 3.05Å; K14-N17 VanDerWaalsContact O-CB 3.22Å; K14-N17 WeakPolarHBondContact O-CB 3.33Å; K14-N17 PolarHBondContact O-N 3.27Å; K14-N17 PolarHBondContact O-OD1 2.94Å; K15-N17 VanDerWaalsContact C-N 3.31Å; N17-C41 CarbonylContact O-C 3.56Å; N17-C41 VanDerWaalsContact O-CA 3.24Å; N17-C41 WeakPolarHBondContact O-CA 3.15Å; N17-C41 VanDerWaalsContact O-CB 3.26Å; N17-C41 WeakPolarHBondContact O-CB 3.26Å; N17-T42 PolarHBondContact O-N 3.25Å; N17-D86 WeakPolarHBondContact CA-OD2 3.49Å; N17-D86 HydrophobicContact CB-CB 3.82Å; N17-D86 WeakPolarHBondContact ND2-CB 3.36Å; N17-D86 PolarHBondContact ND2-OD2 2.89Å
18V95.7Very high90Very high18 Ų1844.9 Ų44.911%0.10926%0.258CS..EExtended strand (participates in β ladder)trans-93.7121.7165.2175.50000108.8T42 I44 I82 Q84 D86 C87V18-T42 WeakPolarHBondContact CA-O 3.43Å; V18-I44 HydrophobicContact CG1-CD1 3.95Å; V18-I44 HydrophobicContact CG1-CG1 4.41Å; V18-I82 HydrophobicContact CB-CG2 4.04Å; V18-I82 HydrophobicContact CG1-CD1 4.46Å; V18-I82 HydrophobicContact CG1-CG2 3.52Å; V18-I82 HydrophobicContact CG2-CD1 4.35Å; V18-I82 HydrophobicContact CG2-CG2 3.55Å; V18-Q84 WeakPolarHBondContact CB-O 3.32Å; V18-D86 PolarHBondContact N-OD2 3.07Å; V18-D86 PolarHBondContact O-N 3.12Å; V18-C87 PolarHBondContact O-N 3.23Å
19V95.3Very high90.8Very high0 Ų042.3 Ų42.30%025%0.245CC..EExtended strand (participates in β ladder)trans-113.7120.7176.9-175.80000109.5M7 A13 V21 A36 C41 T42 V43 I44 C87M7-V19 HydrophobicContact CE-CG1 3.85Å; M7-V19 HydrophobicContact CE-CG2 4.09Å; M7-V19 HydrophobicContact SD-CG1 4.14Å; A13-V19 HydrophobicContact CB-CG2 4.18Å; V19-V21 HydrophobicContact CG1-CG2 3.93Å; V19-A36 HydrophobicContact CB-CB 4.14Å; V19-A36 HydrophobicContact CG1-CB 4.24Å; V19-A36 HydrophobicContact CG2-CB 4.05Å; V19-C41 HydrophobicContact CG2-CB 3.68Å; V19-T42 PolarHBondContact N-O 3.41Å; V19-V43 WeakPolarHBondContact O-CA 3.25Å; V19-I44 PolarHBondContact O-N 3.04Å; V19-C87 CarbonylContact C-O 3.59Å; V19-C87 VanDerWaalsContact CA-O 3.28Å; V19-C87 WeakPolarHBondContact CA-O 3.37Å; V19-C87 HydrophobicContact CB-CB 4.36Å; V19-C87 HydrophobicContact CG1-CB 4.14Å; V19-C87 HydrophobicContact CG2-CB 3.94Å
20V95.7Very high91.7Very high0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-93.1136168.3178.40000109.4I44 F46 L77 V85 C87 Y88 F89 I100V20-I44 CarbonylContact C-O 3.55Å; V20-I44 VanDerWaalsContact CA-O 3.32Å; V20-I44 WeakPolarHBondContact CA-O 3.34Å; V20-I44 HydrophobicContact CG2-CB 4.15Å; V20-I44 HydrophobicContact CG2-CD1 4.4Å; V20-F46 HydrophobicContact CG1-CD2 3.9Å; V20-F46 HydrophobicContact CG1-CE2 3.85Å; V20-L77 HydrophobicContact CG2-CD2 4.28Å; V20-V85 HydrophobicContact CB-CG1 4.06Å; V20-V85 HydrophobicContact CG2-CB 4.21Å; V20-V85 HydrophobicContact CG2-CG1 3.61Å; V20-V85 HydrophobicContact CG2-CG2 3.49Å; V20-V85 VanDerWaalsContact CG2-CG2 3.49Å; V20-C87 PolarHBondContact N-O 3.41Å; V20-Y88 HydrophobicContact CB-CD2 4.01Å; V20-Y88 HydrophobicContact CG1-CD2 3.95Å; V20-Y88 HydrophobicContact CG1-CE2 4.2Å; V20-F89 PolarHBondContact O-N 3.27Å; V20-I100 HydrophobicContact CB-CG2 4.18Å; V20-I100 HydrophobicContact CG1-CD1 3.7Å; V20-I100 HydrophobicContact CG1-CG1 4.19Å; V20-I100 HydrophobicContact CG1-CG2 4.03Å; V20-I100 HydrophobicContact CG2-CG2 4.38Å
21V95.4Very high92.4Very high0 Ų040.3 Ų40.30%024%0.239CC..EExtended strand (participates in β ladder)trans-129.9119176.5-1730000109.8V19 A24 A32 V43 I44 F46 F89V19-V21 HydrophobicContact CG1-CG2 3.93Å; V21-A24 HydrophobicContact CB-CB 4.32Å; V21-A24 HydrophobicContact CG1-CB 4.12Å; V21-A32 HydrophobicContact CG1-CB 4.42Å; V21-V43 HydrophobicContact CG2-CG1 4.34Å; V21-I44 PolarHBondContact N-O 3.28Å; V21-F46 PolarHBondContact O-N 2.76Å; V21-F89 HydrophobicContact CG1-CB 4.34Å; V21-F89 HydrophobicContact CG2-CB 4.16Å
22T95.3Very high93Very high0 Ų040.3 Ų40.30%024%0.239CC..THydrogen-bonded Turntrans-88.9158.417152.10000111.1A24 F46 Y88 F89 D90 N91 Q96 I100T22-A24 PolarHBondContact O-N 3.43Å; T22-A24 VanDerWaalsContact O-N 3.12Å; T22-F46 HydrophobicContact CG2-CB 4.36Å; T22-Y88 HydrophobicContact CG2-CE2 3.75Å; T22-Y88 WeakPolarHBondContact CG2-OH 3.42Å; T22-Y88 PolarHBondContact OG1-OH 3.19Å; T22-F89 PolarHBondContact N-O 2.85Å; T22-D90 PolarHBondContact OG1-OD1 3.32Å; T22-N91 WeakPolarHBondContact O-CB 3.42Å; T22-N91 PolarHBondContact O-ND2 2.94Å; T22-N91 PolarHBondContact OG1-N 2.91Å; T22-Q96 HydrophobicContact CG2-CB 4.45Å; T22-I100 HydrophobicContact CG2-CD1 3.61Å
23A94.7Very high93.6Very high22 Ų2235.1 Ų35.118%0.18222%0.215CC..THydrogen-bonded Turntrans44.641.7-168.700000113.2A25 G26 F46 N91 V92A23-A25 PolarHBondContact O-N 3.43Å; A23-A25 VanDerWaalsContact O-N 3.07Å; A23-G26 PolarHBondContact O-N 3.29Å; A23-F46 PolarHBondContact N-O 2.99Å; A23-F46 VanDerWaalsContact N-O 3.17Å; A23-N91 HydrophobicContact CB-CB 3.79Å; A23-V92 HydrophobicContact CB-CG2 3.76Å
24A96Very high93.9Very high0 Ų038.5 Ų38.50%023%0.23CC..THydrogen-bonded Turntrans-62.8-20.8-167.900000114.6V21 T22 G29 H30 A45 F46 L56V21-A24 HydrophobicContact CB-CB 4.32Å; V21-A24 HydrophobicContact CG1-CB 4.12Å; T22-A24 PolarHBondContact O-N 3.43Å; T22-A24 VanDerWaalsContact O-N 3.12Å; A24-G29 CarbonylContact O-C 3.5Å; A24-H30 WeakPolarHBondContact O-CA 3.48Å; A24-H30 VanDerWaalsContact O-CB 3.29Å; A24-H30 WeakPolarHBondContact O-CB 3.33Å; A24-H30 PolarHBondContact O-N 3.47Å; A24-A45 HydrophobicContact CB-CB 3.55Å; A24-F46 WeakPolarHBondContact CB-O 3.31Å; A24-F46 PolarHBondContact N-O 3.11Å; A24-L56 HydrophobicContact CB-CD1 3.8Å
25A95.7Very high94Very high22 Ų2233.1 Ų33.118%0.18221%0.207CC..THydrogen-bonded Turntrans-90.80.3174.400000113.4A23 K52 W55 L56A23-A25 PolarHBondContact O-N 3.43Å; A23-A25 VanDerWaalsContact O-N 3.07Å; A25-K52 HydrophobicContact CB-CB 3.77Å; A25-K52 HydrophobicContact CB-CD 3.96Å; A25-K52 HydrophobicContact CB-CG 3.89Å; A25-W55 HydrophobicContact CB-CE3 4.45Å; A25-L56 HydrophobicContact CB-CD1 4.03Å; A25-L56 HydrophobicContact CB-CD2 4.4Å; A25-L56 HydrophobicContact CB-CG 4.13Å
26G91.6Very high94Very high31 Ų3124.5 Ų24.532%0.3217%0.169SC..SBendtrans-76.7168.9176.300000112.5A23 V28 G29 H30A23-G26 PolarHBondContact O-N 3.29Å; G26-V28 PolarHBondContact O-N 3.1Å; G26-V28 VanDerWaalsContact O-N 3.11Å; G26-G29 PolarHBondContact O-N 2.82Å; G26-H30 PolarHBondContact O-N 3.39Å; G26-H30 PolarHBondContact O-ND1 2.67Å
27A88.4Confident94.1Very high86 Ų8625.7 Ų25.771%0.71116%0.158SC*.THydrogen-bonded Turntrans-53.3-36-17300000114.3H30A27-H30 PolarHBondContact O-CE1 3.5Å; A27-H30 PolarHBondContact O-ND1 2.78Å
28V89.8Confident94.2Very high45 Ų4531.6 Ų31.627%0.27319%0.189SC..THydrogen-bonded Turntrans-92.2-43.8176.8-1710000111.7A3 G26 H30 V31 A32 F89A3-V28 HydrophobicContact CB-CG1 3.67Å; G26-V28 PolarHBondContact O-N 3.1Å; G26-V28 VanDerWaalsContact O-N 3.11Å; V28-H30 VanDerWaalsContact C-N 3.33Å; V28-H30 PolarHBondContact O-N 3.48Å; V28-V31 PolarHBondContact O-N 3.41Å; V28-V31 VanDerWaalsContact O-N 3.15Å; V28-A32 PolarHBondContact O-N 3Å; V28-F89 HydrophobicContact CG1-CE1 4.06Å; V28-F89 HydrophobicContact CG1-CZ 3.98Å
29G92.5Very high94.1Very high1 Ų133.1 Ų33.11%0.0120%0.196CC..Hα-helixtrans-57.1-39.6-174.100000114.2A24 G26 V31 A32 C33A24-G29 CarbonylContact O-C 3.5Å; G26-G29 PolarHBondContact O-N 2.82Å; G29-V31 VanDerWaalsContact C-N 3.32Å; G29-V31 PolarHBondContact O-N 3.43Å; G29-A32 WeakPolarHBondContact O-CB 2.94Å; G29-A32 PolarHBondContact O-N 3.02Å; G29-C33 PolarHBondContact O-N 3Å; G29-C33 PolarHBondContact O-SG 3.42Å
30H94.3Very high94.1Very high50 Ų5034.8 Ų34.823%0.23121%0.213CC..Hα-helixtrans-73.2-29.4-176.876.6-80000111.7A24 G26 A27 V28 Q34 W55 L60A24-H30 WeakPolarHBondContact O-CA 3.48Å; A24-H30 VanDerWaalsContact O-CB 3.29Å; A24-H30 WeakPolarHBondContact O-CB 3.33Å; A24-H30 PolarHBondContact O-N 3.47Å; G26-H30 PolarHBondContact O-N 3.39Å; G26-H30 PolarHBondContact O-ND1 2.67Å; A27-H30 PolarHBondContact O-CE1 3.5Å; A27-H30 PolarHBondContact O-ND1 2.78Å; V28-H30 VanDerWaalsContact C-N 3.33Å; V28-H30 PolarHBondContact O-N 3.48Å; H30-Q34 WeakPolarHBondContact O-CG 3.24Å; H30-Q34 PolarHBondContact O-N 2.94Å; H30-Q34 PolarHBondContact O-NE2 3.29Å; H30-Q34 VanDerWaalsContact O-NE2 3.1Å; H30-W55 HydrophobicContact CB-CH2 4.01Å; H30-W55 HydrophobicContact CB-CZ3 3.9Å; H30-L60 HydrophobicContact CB-CD1 4.07Å
31V93.3Very high94.2Very high56 Ų5635.4 Ų35.434%0.33922%0.217SC..Hα-helixtrans-72.3-42.3172.5-176.70000110A3 V28 G29 C33 Q34 M35A3-V31 HydrophobicContact CB-CB 4.01Å; A3-V31 HydrophobicContact CB-CG1 3.92Å; V28-V31 PolarHBondContact O-N 3.41Å; V28-V31 VanDerWaalsContact O-N 3.15Å; G29-V31 VanDerWaalsContact C-N 3.32Å; G29-V31 PolarHBondContact O-N 3.43Å; V31-C33 VanDerWaalsContact C-N 3.32Å; V31-C33 PolarHBondContact O-N 2.87Å; V31-Q34 PolarHBondContact O-N 3.5Å; V31-M35 HydrophobicContact CG1-CE 4.01Å; V31-M35 HydrophobicContact CG1-SD 4.47Å; V31-M35 PolarHBondContact O-N 3.32Å
32A92.8Very high94.2Very high0 Ų038 Ų380%023%0.233CC..Hα-helixtrans-58.1-4417500000111.7A3 M7 V21 V28 G29 Q34 M35 A36 F89A3-A32 HydrophobicContact CB-CB 4.25Å; M7-A32 HydrophobicContact CG-CB 4.01Å; M7-A32 HydrophobicContact SD-CB 4.18Å; V21-A32 HydrophobicContact CG1-CB 4.42Å; V28-A32 PolarHBondContact O-N 3Å; G29-A32 WeakPolarHBondContact O-CB 2.94Å; G29-A32 PolarHBondContact O-N 3.02Å; A32-Q34 PolarHBondContact O-N 2.99Å; A32-M35 PolarHBondContact O-N 2.83Å; A32-A36 WeakPolarHBondContact O-CB 3.48Å; A32-A36 PolarHBondContact O-N 2.98Å; A32-F89 HydrophobicContact CB-CD1 4.3Å; A32-F89 HydrophobicContact CB-CD2 4.08Å; A32-F89 HydrophobicContact CB-CE1 4.35Å; A32-F89 HydrophobicContact CB-CE2 4.11Å; A32-F89 HydrophobicContact CB-CG 4.16Å; A32-F89 HydrophobicContact CB-CZ 4.26Å
33C96.6Very high94.3Very high0 Ų038.3 Ų38.30%024%0.235CC..Hα-helixtrans-58.7-45.7174.5-66.50000112.5G29 V31 M35 A36 K37 V43 L60 L62G29-C33 PolarHBondContact O-N 3Å; G29-C33 PolarHBondContact O-SG 3.42Å; V31-C33 VanDerWaalsContact C-N 3.32Å; V31-C33 PolarHBondContact O-N 2.87Å; C33-M35 PolarHBondContact O-N 3.32Å; C33-A36 PolarHBondContact O-N 3.19Å; C33-K37 WeakPolarHBondContact O-CG 3.37Å; C33-K37 PolarHBondContact O-N 3.22Å; C33-V43 HydrophobicContact CB-CG1 4.18Å; C33-L60 HydrophobicContact CB-CD1 4.18Å; C33-L62 HydrophobicContact CB-CD1 4Å; C33-L62 HydrophobicContact CB-CD2 4.3Å
34Q95.3Very high94.4Very high79 Ų7937.2 Ų37.237%0.36923%0.226SC..Hα-helixtrans-63.2-42.2178.8-74.8173.287.200112H30 V31 A32 K37 I38 L60H30-Q34 WeakPolarHBondContact O-CG 3.24Å; H30-Q34 PolarHBondContact O-N 2.94Å; H30-Q34 PolarHBondContact O-NE2 3.29Å; H30-Q34 VanDerWaalsContact O-NE2 3.1Å; V31-Q34 PolarHBondContact O-N 3.5Å; A32-Q34 PolarHBondContact O-N 2.99Å; Q34-K37 WeakPolarHBondContact O-CB 3.48Å; Q34-K37 PolarHBondContact O-N 3.42Å; Q34-I38 VanDerWaalsContact O-CG1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.45Å; Q34-I38 PolarHBondContact O-N 2.89Å; Q34-L60 HydrophobicContact CG-CD1 4.08Å; Q34-L60 HydrophobicContact CG-CD2 3.66Å; Q34-L60 HydrophobicContact CG-CG 4.39Å
35M93.4Very high94.5Very high28 Ų2837.2 Ų37.214%0.13823%0.226CC..Hα-helixtrans-66.6-43.2177.4-70.9-176.3-59.200112.1A3 Y4 M7 V31 A32 C33 K37 I38 L39A3-M35 HydrophobicContact CB-CE 3.34Å; A3-M35 WeakPolarHBondContact O-CE 3.48Å; Y4-M35 VanDerWaalsContact CA-SD 3.59Å; Y4-M35 HydrophobicContact CD2-SD 4.01Å; Y4-M35 HydrophobicContact CG-SD 4.46Å; M7-M35 HydrophobicContact CB-CB 4.48Å; M7-M35 HydrophobicContact CB-CE 4.15Å; M7-M35 HydrophobicContact CG-CB 4.43Å; M7-M35 HydrophobicContact CG-CE 3.91Å; V31-M35 HydrophobicContact CG1-CE 4.01Å; V31-M35 HydrophobicContact CG1-SD 4.47Å; V31-M35 PolarHBondContact O-N 3.32Å; A32-M35 PolarHBondContact O-N 2.83Å; C33-M35 PolarHBondContact O-N 3.32Å; M35-K37 VanDerWaalsContact C-N 3.27Å; M35-K37 PolarHBondContact O-N 3.45Å; M35-I38 PolarHBondContact O-N 3.49Å; M35-I38 VanDerWaalsContact O-N 3.15Å; M35-L39 WeakPolarHBondContact O-CB 3.28Å; M35-L39 WeakPolarHBondContact O-CD1 3.39Å; M35-L39 VanDerWaalsContact O-CG 3.25Å; M35-L39 WeakPolarHBondContact O-CG 3.45Å; M35-L39 PolarHBondContact O-N 3.1Å
36A95.2Very high94.6Very high0 Ų036.2 Ų36.20%022%0.217CC..Hα-helixtrans-55.6-44.6173.700000111.3M7 V19 A32 C33 L39 G40 C41 V43M7-A36 HydrophobicContact CE-CB 3.57Å; V19-A36 HydrophobicContact CB-CB 4.14Å; V19-A36 HydrophobicContact CG1-CB 4.24Å; V19-A36 HydrophobicContact CG2-CB 4.05Å; A32-A36 WeakPolarHBondContact O-CB 3.48Å; A32-A36 PolarHBondContact O-N 2.98Å; C33-A36 PolarHBondContact O-N 3.19Å; A36-L39 PolarHBondContact O-N 2.85Å; A36-G40 PolarHBondContact O-N 3.41Å; A36-C41 HydrophobicContact CB-CB 4.21Å; A36-C41 WeakPolarHBondContact O-CB 3.36Å; A36-C41 PolarHBondContact O-N 2.85Å; A36-C41 PolarHBondContact O-SG 2.8Å; A36-C41 VanDerWaalsContact O-SG 3.4Å; A36-V43 HydrophobicContact CB-CG2 3.45Å; A36-V43 VanDerWaalsContact CB-CG2 3.45Å
37K95.6Very high94.8Very high81 Ų8134.9 Ų34.935%0.35220%0.203SC..Hα-helixtrans-60.8-46.9174.3-77-169.263.6167.20112.9C33 Q34 M35 L39 G40 V43 L60 N61 L62C33-K37 WeakPolarHBondContact O-CG 3.37Å; C33-K37 PolarHBondContact O-N 3.22Å; Q34-K37 WeakPolarHBondContact O-CB 3.48Å; Q34-K37 PolarHBondContact O-N 3.42Å; M35-K37 VanDerWaalsContact C-N 3.27Å; M35-K37 PolarHBondContact O-N 3.45Å; K37-L39 PolarHBondContact O-N 3.12Å; K37-G40 WeakPolarHBondContact O-CA 3.22Å; K37-G40 PolarHBondContact O-N 3.06Å; K37-V43 HydrophobicContact CG-CG2 3.94Å; K37-L60 WeakPolarHBondContact CD-O 3.49Å; K37-L60 PolarHBondContact NZ-O 2.64Å; K37-N61 PolarHBondContact NZ-O 2.87Å; K37-L62 HydrophobicContact CD-CD2 3.62Å; K37-L62 HydrophobicContact CD-CG 4.36Å; K37-L62 HydrophobicContact CG-CD2 3.98Å
38I95.3Very high95.2Very high145 Ų14531.6 Ų31.674%0.74418%0.178SC*.Hα-helixtrans-60.2-36.8178.7-70.9163.5000110.9Q34 M35 G40Q34-I38 VanDerWaalsContact O-CG1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.45Å; Q34-I38 PolarHBondContact O-N 2.89Å; M35-I38 PolarHBondContact O-N 3.49Å; M35-I38 VanDerWaalsContact O-N 3.15Å; I38-G40 PolarHBondContact O-N 2.81Å
39L94.6Very high95.5Very high50 Ų5031 Ų3126%0.26218%0.176SC..THydrogen-bonded Turntrans-72.1-3.9175.3-67.3164.6000113.3L8 A13 K15 M35 A36 K37L8-L39 HydrophobicContact CD2-CD1 3.62Å; L8-L39 HydrophobicContact CD2-CD2 3.72Å; L8-L39 HydrophobicContact CD2-CG 4.24Å; A13-L39 HydrophobicContact CB-CD1 4.13Å; K15-L39 WeakPolarHBondContact CA-O 3.31Å; K15-L39 WeakPolarHBondContact CB-O 3.5Å; K15-L39 PolarHBondContact N-O 3.16Å; K15-L39 VanDerWaalsContact N-O 3.16Å; M35-L39 WeakPolarHBondContact O-CB 3.28Å; M35-L39 WeakPolarHBondContact O-CD1 3.39Å; M35-L39 VanDerWaalsContact O-CG 3.25Å; M35-L39 WeakPolarHBondContact O-CG 3.45Å; M35-L39 PolarHBondContact O-N 3.1Å; A36-L39 PolarHBondContact O-N 2.85Å; K37-L39 PolarHBondContact O-N 3.12Å
40G95.4Very high95.8Very high35 Ų3535.4 Ų35.436%0.36120%0.199SC..THydrogen-bonded Turntrans76.228.7-179.100000113.3G16 A36 K37 I38G16-G40 PolarHBondContact N-O 3.32Å; A36-G40 PolarHBondContact O-N 3.41Å; K37-G40 WeakPolarHBondContact O-CA 3.22Å; K37-G40 PolarHBondContact O-N 3.06Å; I38-G40 PolarHBondContact O-N 2.81Å
41C95.9Very high96Very high13 Ų1340.7 Ų40.79%0.08822%0.224CC..  trans-87155.5173.8-51.80000111.1K14 N17 V19 A36K14-C41 PolarHBondContact O-SG 3.47Å; N17-C41 CarbonylContact O-C 3.56Å; N17-C41 VanDerWaalsContact O-CA 3.24Å; N17-C41 WeakPolarHBondContact O-CA 3.15Å; N17-C41 VanDerWaalsContact O-CB 3.26Å; N17-C41 WeakPolarHBondContact O-CB 3.26Å; V19-C41 HydrophobicContact CG2-CB 3.68Å; A36-C41 HydrophobicContact CB-CB 4.21Å; A36-C41 WeakPolarHBondContact O-CB 3.36Å; A36-C41 PolarHBondContact O-N 2.85Å; A36-C41 PolarHBondContact O-SG 2.8Å; A36-C41 VanDerWaalsContact O-SG 3.4Å
42T96Very high96.2Very high53 Ų5342.8 Ų42.833%0.32523%0.228SC..EExtended strand (participates in β ladder)trans-83.2126163.5-60.90000108.6N17 V18 V19 Y64 I82N17-T42 PolarHBondContact O-N 3.25Å; V18-T42 WeakPolarHBondContact CA-O 3.43Å; V19-T42 PolarHBondContact N-O 3.41Å; T42-Y64 HydrophobicContact CG2-CD2 3.92Å; T42-Y64 HydrophobicContact CG2-CE2 3.84Å; T42-I82 HydrophobicContact CG2-CD1 3.63Å
43V97.5Very high96.5Very high7 Ų743.5 Ų43.54%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-107.4128.5-177.5-177.30000110.3V19 V21 C33 A36 K37 A45 L62V19-V43 WeakPolarHBondContact O-CA 3.25Å; V21-V43 HydrophobicContact CG2-CG1 4.34Å; C33-V43 HydrophobicContact CB-CG1 4.18Å; A36-V43 HydrophobicContact CB-CG2 3.45Å; A36-V43 VanDerWaalsContact CB-CG2 3.45Å; K37-V43 HydrophobicContact CG-CG2 3.94Å; V43-A45 HydrophobicContact CG1-CB 4.49Å; V43-L62 HydrophobicContact CB-CD2 3.65Å; V43-L62 HydrophobicContact CG1-CD2 3.74Å; V43-L62 HydrophobicContact CG2-CD2 4.22Å
44I97.4Very high96.6Very high0 Ų047 Ų470%026%0.257CS..EExtended strand (participates in β ladder)trans-110.8113.7168.6-54.4177.2000107.7V18 V19 V20 V21 F46 Y64 F66 L77 I82V18-I44 HydrophobicContact CG1-CD1 3.95Å; V18-I44 HydrophobicContact CG1-CG1 4.41Å; V19-I44 PolarHBondContact O-N 3.04Å; V20-I44 CarbonylContact C-O 3.55Å; V20-I44 VanDerWaalsContact CA-O 3.32Å; V20-I44 WeakPolarHBondContact CA-O 3.34Å; V20-I44 HydrophobicContact CG2-CB 4.15Å; V20-I44 HydrophobicContact CG2-CD1 4.4Å; V21-I44 PolarHBondContact N-O 3.28Å; I44-F46 HydrophobicContact CG2-CE2 3.89Å; I44-F46 HydrophobicContact CG2-CZ 4.25Å; I44-Y64 WeakPolarHBondContact CA-O 3.5Å; I44-Y64 HydrophobicContact CG1-CD2 4.48Å; I44-F66 HydrophobicContact CG2-CD2 4.13Å; I44-F66 HydrophobicContact CG2-CE2 4.04Å; I44-L77 HydrophobicContact CD1-CD2 3.55Å; I44-L77 HydrophobicContact CG2-CD2 4.18Å; I44-I82 HydrophobicContact CD1-CB 4.08Å; I44-I82 HydrophobicContact CD1-CD1 3.75Å; I44-I82 HydrophobicContact CD1-CG2 4.15Å; I44-I82 HydrophobicContact CG1-CD1 4.13Å
45A98.1Very high96.7Very high0 Ų048.2 Ų48.20%026%0.259CS..EExtended strand (participates in β ladder)trans-110.7129.6-172.300000111.6A24 V43 L56 L62 Y64 V65 F66A24-A45 HydrophobicContact CB-CB 3.55Å; V43-A45 HydrophobicContact CG1-CB 4.49Å; A45-L56 HydrophobicContact CB-CD1 4.28Å; A45-L62 HydrophobicContact CB-CD1 4.16Å; A45-Y64 PolarHBondContact N-O 3.09Å; A45-V65 HydrophobicContact CB-CB 4.49Å; A45-V65 HydrophobicContact CB-CG1 4.09Å; A45-V65 HydrophobicContact CB-CG2 4.24Å; A45-V65 CarbonylContact O-C 3.52Å; A45-V65 WeakPolarHBondContact O-CA 3.34Å; A45-F66 PolarHBondContact O-N 3.49Å
46F97.4Very high97Very high0 Ų046.9 Ų46.90%025%0.252CS..EExtended strand (participates in β ladder)trans-109.3136173.2-69-82.2000111.4V20 V21 T22 A23 A24 I44 F66 I73 A76 I100V20-F46 HydrophobicContact CG1-CD2 3.9Å; V20-F46 HydrophobicContact CG1-CE2 3.85Å; V21-F46 PolarHBondContact O-N 2.76Å; T22-F46 HydrophobicContact CG2-CB 4.36Å; A23-F46 PolarHBondContact N-O 2.99Å; A23-F46 VanDerWaalsContact N-O 3.17Å; A24-F46 WeakPolarHBondContact CB-O 3.31Å; A24-F46 PolarHBondContact N-O 3.11Å; I44-F46 HydrophobicContact CG2-CE2 3.89Å; I44-F46 HydrophobicContact CG2-CZ 4.25Å; F46-F66 WeakPolarHBondContact CA-O 3.33Å; F46-F66 HydrophobicContact CD1-CB 3.94Å; F46-F66 HydrophobicContact CE1-CB 3.9Å; F46-F66 HydrophobicContact CE1-CD2 4.27Å; F46-F66 HydrophobicContact CE1-CG 4.44Å; F46-F66 HydrophobicContact CZ-CD2 4.47Å; F46-I73 HydrophobicContact CD1-CG1 4.39Å; F46-I73 HydrophobicContact CE1-CB 4.45Å; F46-I73 HydrophobicContact CE1-CG1 3.92Å; F46-I73 HydrophobicContact CE2-CG2 4.42Å; F46-I73 HydrophobicContact CZ-CB 4.27Å; F46-I73 HydrophobicContact CZ-CG1 4.06Å; F46-I73 HydrophobicContact CZ-CG2 3.98Å; F46-A76 HydrophobicContact CE1-CB 3.59Å; F46-A76 HydrophobicContact CZ-CB 3.79Å; F46-I100 HydrophobicContact CD2-CD1 4.47Å; F46-I100 HydrophobicContact CE2-CD1 4.48Å
47T96.5Very high97.1Very high3 Ų351.5 Ų51.52%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-144.6170.5176.6-168.10000111.5K52 V53 L56 F66 N67 Y68T47-K52 HydrophobicContact CG2-CB 3.61Å; T47-K52 VanDerWaalsContact OG1-CB 3.26Å; T47-K52 WeakPolarHBondContact OG1-CB 3.39Å; T47-K52 WeakPolarHBondContact OG1-CD 3.05Å; T47-V53 HydrophobicContact CG2-CB 4.43Å; T47-V53 HydrophobicContact CG2-CG2 3.57Å; T47-L56 HydrophobicContact CG2-CD1 4.19Å; T47-F66 PolarHBondContact N-O 3.35Å; T47-N67 VanDerWaalsContact O-CA 3.25Å; T47-N67 WeakPolarHBondContact O-CA 3.35Å; T47-N67 PolarHBondContact O-OD1 2.79Å; T47-Y68 VanDerWaalsContact C-CD1 3.45Å; T47-Y68 WeakPolarHBondContact O-CD1 3.48Å; T47-Y68 WeakPolarHBondContact O-CE1 3.38Å; T47-Y68 PolarHBondContact O-N 2.93Å
48G95.7Very high97.2Very high17 Ų1750.8 Ų50.818%0.17528%0.277CS..SBendtrans-99.49-168.700000116.4Y68 K69G48-Y68 VanDerWaalsContact CA-CE1 3.42Å; G48-K69 WeakPolarHBondContact O-CD 3.03Å; G48-K69 WeakPolarHBondContact O-CE 3.37Å; G48-K69 PolarHBondContact O-NZ 3.11Å
49S97.6Very high97.3Very high33 Ų3349.5 Ų49.523%0.23127%0.268CS..SBendtrans-157.4153.3175.467.40000112.5E51 K52 V53S49-E51 VanDerWaalsContact C-N 3.29Å; S49-E51 PolarHBondContact O-N 2.97Å; S49-K52 PolarHBondContact O-N 3.2Å; S49-K52 WeakPolarHBondContact OG-CG 3.38Å; S49-K52 PolarHBondContact OG-N 3.27Å; S49-V53 WeakPolarHBondContact O-CG2 3.34Å; S49-V53 PolarHBondContact O-N 3.4Å
50D98.1Very high97.5Very high93 Ų9347.9 Ų47.950%0.49726%0.259SS..Hα-helixtrans-69.6-27.4179.8-59.9-28000112.9V53 S54 N67D50-V53 WeakPolarHBondContact O-CB 3.18Å; D50-V53 PolarHBondContact O-N 3.2Å; D50-S54 PolarHBondContact O-N 3.48Å; D50-S54 PolarHBondContact O-OG 2.89Å; D50-N67 PolarHBondContact N-ND2 2.78Å; D50-N67 VanDerWaalsContact OD1-CB 3.22Å; D50-N67 WeakPolarHBondContact OD1-CB 3.47Å; D50-N67 PolarHBondContact OD1-ND2 3.33Å
51E98.3Very high97.5Very high162 Ų16251.7 Ų51.776%0.75727%0.272SS*.Hα-helixtrans-59.3-47.6169.6-176.4-169.7170.800110.6S49 V53 S54 W55S49-E51 VanDerWaalsContact C-N 3.29Å; S49-E51 PolarHBondContact O-N 2.97Å; E51-V53 VanDerWaalsContact C-N 3.32Å; E51-V53 PolarHBondContact O-N 3.29Å; E51-S54 WeakPolarHBondContact O-CB 3.39Å; E51-S54 PolarHBondContact O-N 2.66Å; E51-W55 PolarHBondContact O-N 3.32Å
52K98.3Very high97.6Very high99 Ų9951.5 Ų51.543%0.4327%0.27SS..Hα-helixtrans-67.5-33.1177.1-72.4173.8176.8-174.60112A25 T47 S49 L56A25-K52 HydrophobicContact CB-CB 3.77Å; A25-K52 HydrophobicContact CB-CD 3.96Å; A25-K52 HydrophobicContact CB-CG 3.89Å; T47-K52 HydrophobicContact CG2-CB 3.61Å; T47-K52 VanDerWaalsContact OG1-CB 3.26Å; T47-K52 WeakPolarHBondContact OG1-CB 3.39Å; T47-K52 WeakPolarHBondContact OG1-CD 3.05Å; S49-K52 PolarHBondContact O-N 3.2Å; S49-K52 WeakPolarHBondContact OG-CG 3.38Å; S49-K52 PolarHBondContact OG-N 3.27Å; K52-L56 WeakPolarHBondContact O-CB 3.24Å; K52-L56 VanDerWaalsContact O-CG 3.32Å; K52-L56 WeakPolarHBondContact O-CG 3.38Å; K52-L56 PolarHBondContact O-N 2.9Å
53V98.6Very high97.6Very high15 Ų1555.7 Ų55.79%0.09129%0.286CS..Hα-helixtrans-60.3-48.9171.7171.70000109.9T47 S49 D50 E51 W55 L56 K57 V65 N67T47-V53 HydrophobicContact CG2-CB 4.43Å; T47-V53 HydrophobicContact CG2-CG2 3.57Å; S49-V53 WeakPolarHBondContact O-CG2 3.34Å; S49-V53 PolarHBondContact O-N 3.4Å; D50-V53 WeakPolarHBondContact O-CB 3.18Å; D50-V53 PolarHBondContact O-N 3.2Å; E51-V53 VanDerWaalsContact C-N 3.32Å; E51-V53 PolarHBondContact O-N 3.29Å; V53-W55 PolarHBondContact O-N 3.26Å; V53-L56 PolarHBondContact O-N 3.22Å; V53-K57 HydrophobicContact CG1-CD 4.2Å; V53-K57 WeakPolarHBondContact O-CG 3.35Å; V53-K57 PolarHBondContact O-N 2.87Å; V53-V65 HydrophobicContact CB-CG1 4.21Å; V53-V65 HydrophobicContact CG1-CB 4.1Å; V53-V65 HydrophobicContact CG1-CG1 4.01Å; V53-V65 WeakPolarHBondContact CG1-O 3.44Å; V53-V65 HydrophobicContact CG2-CG1 4.19Å; V53-N67 HydrophobicContact CG2-CB 3.8Å
54S98.4Very high97.5Very high75 Ų7557.7 Ų57.752%0.52429%0.293SS..Hα-helixtrans-61.7-44.9-179.1-57.40000111.4D50 E51 K57 S58D50-S54 PolarHBondContact O-N 3.48Å; D50-S54 PolarHBondContact O-OG 2.89Å; E51-S54 WeakPolarHBondContact O-CB 3.39Å; E51-S54 PolarHBondContact O-N 2.66Å; S54-K57 PolarHBondContact O-N 2.86Å; S54-S58 PolarHBondContact O-N 2.96Å; S54-S58 PolarHBondContact O-OG 3.44Å
55W98.5Very high97.6Very high104 Ų10457.9 Ų57.939%0.39429%0.294SS..Hα-helixtrans-60.2-45.9176.4-17886.7000112.9A25 H30 E51 V53 K57 S58 E59 L60A25-W55 HydrophobicContact CB-CE3 4.45Å; H30-W55 HydrophobicContact CB-CH2 4.01Å; H30-W55 HydrophobicContact CB-CZ3 3.9Å; E51-W55 PolarHBondContact O-N 3.32Å; V53-W55 PolarHBondContact O-N 3.26Å; W55-K57 VanDerWaalsContact C-N 3.3Å; W55-K57 PolarHBondContact O-N 3.19Å; W55-S58 PolarHBondContact O-N 3.27Å; W55-S58 PolarHBondContact O-OG 3.15Å; W55-E59 HydrophobicContact CD2-CB 4.45Å; W55-E59 HydrophobicContact CD2-CG 4.2Å; W55-E59 HydrophobicContact CG-CG 4.08Å; W55-E59 HydrophobicContact CZ2-CB 4.37Å; W55-E59 HydrophobicContact CZ2-CG 4.4Å; W55-E59 VanDerWaalsContact O-CB 3.32Å; W55-E59 WeakPolarHBondContact O-CB 3.38Å; W55-E59 WeakPolarHBondContact O-CG 3.27Å; W55-E59 PolarHBondContact O-N 3.1Å; W55-L60 HydrophobicContact CZ3-CD1 4.32Å; W55-L60 HydrophobicContact CZ3-CG 4.38Å
56L98.5Very high97.6Very high0 Ų058.5 Ų58.50%030%0.296CS..Hα-helixtrans-63.8-36176.9-77.7173000112.2A24 A25 A45 T47 K52 V53 L60 N61 L62 V65A24-L56 HydrophobicContact CB-CD1 3.8Å; A25-L56 HydrophobicContact CB-CD1 4.03Å; A25-L56 HydrophobicContact CB-CD2 4.4Å; A25-L56 HydrophobicContact CB-CG 4.13Å; A45-L56 HydrophobicContact CB-CD1 4.28Å; T47-L56 HydrophobicContact CG2-CD1 4.19Å; K52-L56 WeakPolarHBondContact O-CB 3.24Å; K52-L56 VanDerWaalsContact O-CG 3.32Å; K52-L56 WeakPolarHBondContact O-CG 3.38Å; K52-L56 PolarHBondContact O-N 2.9Å; V53-L56 PolarHBondContact O-N 3.22Å; L56-L60 HydrophobicContact CD2-CD1 3.61Å; L56-L60 HydrophobicContact CD2-CG 4.3Å; L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 PolarHBondContact O-N 3.43Å; L56-N61 PolarHBondContact O-N 3.16Å; L56-L62 HydrophobicContact CB-CD1 4.01Å; L56-L62 HydrophobicContact CD2-CD1 3.88Å; L56-L62 HydrophobicContact CG-CD1 4.43Å; L56-L62 PolarHBondContact O-N 3.32Å; L56-V65 HydrophobicContact CB-CG1 3.77Å; L56-V65 HydrophobicContact CB-CG2 4.06Å; L56-V65 HydrophobicContact CD1-CG1 3.56Å; L56-V65 HydrophobicContact CG-CG1 4.33Å
57K98.3Very high97.6Very high97 Ų9759 Ų5942%0.42230%0.299SS..Hα-helixtrans-71.2-43175.7-72.2-174.5174.5-176.50112V53 S54 W55 N61 V65V53-K57 HydrophobicContact CG1-CD 4.2Å; V53-K57 WeakPolarHBondContact O-CG 3.35Å; V53-K57 PolarHBondContact O-N 2.87Å; S54-K57 PolarHBondContact O-N 2.86Å; W55-K57 VanDerWaalsContact C-N 3.3Å; W55-K57 PolarHBondContact O-N 3.19Å; K57-N61 WeakPolarHBondContact O-CA 3.16Å; K57-N61 PolarHBondContact O-N 2.95Å; K57-V65 HydrophobicContact CG-CB 3.96Å; K57-V65 HydrophobicContact CG-CG2 3.7Å
58S97.7Very high97.5Very high66 Ų6662.5 Ų62.546%0.46231%0.313SS..Hα-helixtrans-76.5-53.4-177.867.10000112.5S54 W55S54-S58 PolarHBondContact O-N 2.96Å; S54-S58 PolarHBondContact O-OG 3.44Å; W55-S58 PolarHBondContact O-N 3.27Å; W55-S58 PolarHBondContact O-OG 3.15Å
59E97.6Very high97.4Very high117 Ų11768.4 Ų68.455%0.54733%0.334SS..Hα-helixtrans-78.6-42.3-171.3-59.3-46.8116.800111.5W55W55-E59 HydrophobicContact CD2-CB 4.45Å; W55-E59 HydrophobicContact CD2-CG 4.2Å; W55-E59 HydrophobicContact CG-CG 4.08Å; W55-E59 HydrophobicContact CZ2-CB 4.37Å; W55-E59 HydrophobicContact CZ2-CG 4.4Å; W55-E59 VanDerWaalsContact O-CB 3.32Å; W55-E59 WeakPolarHBondContact O-CB 3.38Å; W55-E59 WeakPolarHBondContact O-CG 3.27Å; W55-E59 PolarHBondContact O-N 3.1Å
60L97Very high97.4Very high16 Ų1671.5 Ų71.58%0.08435%0.351CS..SBendtrans-96.1-4-178.2-53.5-168000113.1H30 C33 Q34 K37 W55 L56 L62H30-L60 HydrophobicContact CB-CD1 4.07Å; C33-L60 HydrophobicContact CB-CD1 4.18Å; Q34-L60 HydrophobicContact CG-CD1 4.08Å; Q34-L60 HydrophobicContact CG-CD2 3.66Å; Q34-L60 HydrophobicContact CG-CG 4.39Å; K37-L60 WeakPolarHBondContact CD-O 3.49Å; K37-L60 PolarHBondContact NZ-O 2.64Å; W55-L60 HydrophobicContact CZ3-CD1 4.32Å; W55-L60 HydrophobicContact CZ3-CG 4.38Å; L56-L60 HydrophobicContact CD2-CD1 3.61Å; L56-L60 HydrophobicContact CD2-CG 4.3Å; L56-L60 WeakPolarHBondContact O-CB 3.49Å; L56-L60 PolarHBondContact O-N 3.43Å; L60-L62 HydrophobicContact CB-CD1 3.9Å; L60-L62 HydrophobicContact CB-CG 3.85Å; L60-L62 HydrophobicContact CD1-CD1 4.01Å; L60-L62 PolarHBondContact O-N 3.23Å
61N97.1Very high97.2Very high116 Ų11670.4 Ų70.462%0.6234%0.342SS*.  trans51.642.4-178-65.8-80.4000111.8K37 L56 K57K37-N61 PolarHBondContact NZ-O 2.87Å; L56-N61 PolarHBondContact O-N 3.16Å; K57-N61 WeakPolarHBondContact O-CA 3.16Å; K57-N61 PolarHBondContact O-N 2.95Å
62L97Very high97Very high9 Ų965 Ų655%0.04732%0.322CS..  trans-82.9132.7178.3-71167.5000110.2C33 K37 V43 A45 L56 L60 V65C33-L62 HydrophobicContact CB-CD1 4Å; C33-L62 HydrophobicContact CB-CD2 4.3Å; K37-L62 HydrophobicContact CD-CD2 3.62Å; K37-L62 HydrophobicContact CD-CG 4.36Å; K37-L62 HydrophobicContact CG-CD2 3.98Å; V43-L62 HydrophobicContact CB-CD2 3.65Å; V43-L62 HydrophobicContact CG1-CD2 3.74Å; V43-L62 HydrophobicContact CG2-CD2 4.22Å; A45-L62 HydrophobicContact CB-CD1 4.16Å; L56-L62 HydrophobicContact CB-CD1 4.01Å; L56-L62 HydrophobicContact CD2-CD1 3.88Å; L56-L62 HydrophobicContact CG-CD1 4.43Å; L56-L62 PolarHBondContact O-N 3.32Å; L60-L62 HydrophobicContact CB-CD1 3.9Å; L60-L62 HydrophobicContact CB-CG 3.85Å; L60-L62 HydrophobicContact CD1-CD1 4.01Å; L60-L62 PolarHBondContact O-N 3.23Å; L62-V65 HydrophobicContact CB-CG2 3.37Å; L62-V65 HydrophobicContact CD1-CG2 4.2Å; L62-V65 HydrophobicContact CG-CG2 4.42Å
63Q95.2Very high96.7Very high140 Ų14060.9 Ų60.965%0.65431%0.305SS*.SBendtrans-77.2-47-177.9-175.1176.75.900112
64Y97.3Very high96.4Very high50 Ų5063.6 Ų63.620%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-109.198.6-175.7-55.3-66000109.9T42 I44 A45 F66 I82T42-Y64 HydrophobicContact CG2-CD2 3.92Å; T42-Y64 HydrophobicContact CG2-CE2 3.84Å; I44-Y64 WeakPolarHBondContact CA-O 3.5Å; I44-Y64 HydrophobicContact CG1-CD2 4.48Å; A45-Y64 PolarHBondContact N-O 3.09Å; Y64-F66 HydrophobicContact CD1-CZ 4.5Å; Y64-I82 HydrophobicContact CD2-CD1 4.26Å; Y64-I82 HydrophobicContact CE2-CD1 4.04Å
65V98.5Very high96.1Very high3 Ų364.9 Ų64.92%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-134.1127.3178.3-167.50000109.4A45 V53 L56 K57 L62A45-V65 HydrophobicContact CB-CB 4.49Å; A45-V65 HydrophobicContact CB-CG1 4.09Å; A45-V65 HydrophobicContact CB-CG2 4.24Å; A45-V65 CarbonylContact O-C 3.52Å; A45-V65 WeakPolarHBondContact O-CA 3.34Å; V53-V65 HydrophobicContact CB-CG1 4.21Å; V53-V65 HydrophobicContact CG1-CB 4.1Å; V53-V65 HydrophobicContact CG1-CG1 4.01Å; V53-V65 WeakPolarHBondContact CG1-O 3.44Å; V53-V65 HydrophobicContact CG2-CG1 4.19Å; L56-V65 HydrophobicContact CB-CG1 3.77Å; L56-V65 HydrophobicContact CB-CG2 4.06Å; L56-V65 HydrophobicContact CD1-CG1 3.56Å; L56-V65 HydrophobicContact CG-CG1 4.33Å; K57-V65 HydrophobicContact CG-CB 3.96Å; K57-V65 HydrophobicContact CG-CG2 3.7Å; L62-V65 HydrophobicContact CB-CG2 3.37Å; L62-V65 HydrophobicContact CD1-CG2 4.2Å; L62-V65 HydrophobicContact CG-CG2 4.42Å
66F97.9Very high95.9Very high13 Ų1360 Ų606%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-131.9144.8-172.3-55.3-76.8000111.9I44 A45 F46 T47 Y64 K71 A76I44-F66 HydrophobicContact CG2-CD2 4.13Å; I44-F66 HydrophobicContact CG2-CE2 4.04Å; A45-F66 PolarHBondContact O-N 3.49Å; F46-F66 WeakPolarHBondContact CA-O 3.33Å; F46-F66 HydrophobicContact CD1-CB 3.94Å; F46-F66 HydrophobicContact CE1-CB 3.9Å; F46-F66 HydrophobicContact CE1-CD2 4.27Å; F46-F66 HydrophobicContact CE1-CG 4.44Å; F46-F66 HydrophobicContact CZ-CD2 4.47Å; T47-F66 PolarHBondContact N-O 3.35Å; Y64-F66 HydrophobicContact CD1-CZ 4.5Å; F66-K71 HydrophobicContact CD1-CD 3.93Å; F66-K71 HydrophobicContact CE1-CD 4.32Å; F66-A76 HydrophobicContact CB-CB 4.06Å; F66-A76 HydrophobicContact CD1-CB 3.94Å; F66-A76 HydrophobicContact CD2-CB 3.62Å; F66-A76 HydrophobicContact CE1-CB 4.24Å; F66-A76 HydrophobicContact CE2-CB 3.93Å; F66-A76 WeakPolarHBondContact CE2-O 3.31Å; F66-A76 HydrophobicContact CG-CB 3.6Å; F66-A76 HydrophobicContact CZ-CB 4.22Å; F66-A76 WeakPolarHBondContact CZ-O 3.21Å
67N97.5Very high95.5Very high11 Ų1160 Ų606%0.05930%0.301CS..EExtended strand (participates in β ladder)trans-89.6109.9169176.41.7000108.5T47 D50 V53 K69 T70 K71T47-N67 VanDerWaalsContact O-CA 3.25Å; T47-N67 WeakPolarHBondContact O-CA 3.35Å; T47-N67 PolarHBondContact O-OD1 2.79Å; D50-N67 PolarHBondContact N-ND2 2.78Å; D50-N67 VanDerWaalsContact OD1-CB 3.22Å; D50-N67 WeakPolarHBondContact OD1-CB 3.47Å; D50-N67 PolarHBondContact OD1-ND2 3.33Å; V53-N67 HydrophobicContact CG2-CB 3.8Å; N67-K69 PolarHBondContact O-N 2.85Å; N67-K69 VanDerWaalsContact O-N 3.07Å; N67-K69 WeakPolarHBondContact OD1-CB 3.32Å; N67-K69 PolarHBondContact OD1-N 3.12Å; N67-T70 WeakPolarHBondContact CB-OG1 3.48Å; N67-T70 PolarHBondContact O-N 3.17Å; N67-T70 VanDerWaalsContact O-N 3.12Å; N67-T70 PolarHBondContact O-OG1 2.83Å; N67-K71 PolarHBondContact O-N 3Å; N67-K71 VanDerWaalsContact O-N 3.1Å
68Y94.5Very high95.1Very high76 Ų7658 Ų5830%0.29830%0.303SS..THydrogen-bonded Turntrans-65.2-14.5-175.468.6-102.9000113.2T47 G48 K71T47-Y68 VanDerWaalsContact C-CD1 3.45Å; T47-Y68 WeakPolarHBondContact O-CD1 3.48Å; T47-Y68 WeakPolarHBondContact O-CE1 3.38Å; T47-Y68 PolarHBondContact O-N 2.93Å; G48-Y68 VanDerWaalsContact CA-CE1 3.42Å; Y68-K71 CarbonylContact C-O 3.56Å; Y68-K71 WeakPolarHBondContact CA-O 3.49Å
69K94.8Very high94.8Very high142 Ų14260.1 Ų60.162%0.61731%0.305SS*.THydrogen-bonded Turntrans-83.2-21.8178.1-60.8-175.5179.8172.30113.2G48 N67G48-K69 WeakPolarHBondContact O-CD 3.03Å; G48-K69 WeakPolarHBondContact O-CE 3.37Å; G48-K69 PolarHBondContact O-NZ 3.11Å; N67-K69 PolarHBondContact O-N 2.85Å; N67-K69 VanDerWaalsContact O-N 3.07Å; N67-K69 WeakPolarHBondContact OD1-CB 3.32Å; N67-K69 PolarHBondContact OD1-N 3.12Å
70T96.4Very high94.3Very high97 Ų9754.7 Ų54.760%0.59528%0.28SS*.THydrogen-bonded Turntrans-114.1-9.6-176.557.10000112.6N67N67-T70 WeakPolarHBondContact CB-OG1 3.48Å; N67-T70 PolarHBondContact O-N 3.17Å; N67-T70 VanDerWaalsContact O-N 3.12Å; N67-T70 PolarHBondContact O-OG1 2.83Å
71K94.5Very high93.8Very high70 Ų7060.8 Ų60.830%0.30431%0.313SS..SBendtrans-142.8134.6175.9-173.6168.8-70.1-1800110.1F66 N67 Y68 D75 A76 E79F66-K71 HydrophobicContact CD1-CD 3.93Å; F66-K71 HydrophobicContact CE1-CD 4.32Å; N67-K71 PolarHBondContact O-N 3Å; N67-K71 VanDerWaalsContact O-N 3.1Å; Y68-K71 CarbonylContact C-O 3.56Å; Y68-K71 WeakPolarHBondContact CA-O 3.49Å; K71-D75 HydrophobicContact CD-CB 4.5Å; K71-D75 HydrophobicContact CG-CB 4.03Å; K71-A76 HydrophobicContact CD-CB 4.11Å; K71-A76 HydrophobicContact CG-CB 4.27Å; K71-E79 IonicContact NZ-OE1 3.87Å; K71-E79 IonicContact NZ-OE2 2.58Å; K71-E79 PolarHBondContact NZ-OE2 2.92Å
72S93.5Very high93Very high49 Ų4956.3 Ų56.334%0.34329%0.289SS..  trans-64.4156175770000110.7D74 D75 A76S72-D74 VanDerWaalsContact C-N 3.32Å; S72-D75 VanDerWaalsContact OG-CB 3.27Å; S72-D75 WeakPolarHBondContact OG-CB 3.35Å; S72-D75 PolarHBondContact OG-N 3.45Å; S72-D75 PolarHBondContact OG-OD2 3Å; S72-A76 WeakPolarHBondContact O-CB 3.3Å; S72-A76 PolarHBondContact O-N 3.41Å
73I91.5Very high92.1Very high13 Ų1361.9 Ų61.97%0.06732%0.319CS..Hα-helixtrans-65.9-40.3177.1-69.2178.4000110.4F46 D75 A76 L77 Q96 T99 I100F46-I73 HydrophobicContact CD1-CG1 4.39Å; F46-I73 HydrophobicContact CE1-CB 4.45Å; F46-I73 HydrophobicContact CE1-CG1 3.92Å; F46-I73 HydrophobicContact CE2-CG2 4.42Å; F46-I73 HydrophobicContact CZ-CB 4.27Å; F46-I73 HydrophobicContact CZ-CG1 4.06Å; F46-I73 HydrophobicContact CZ-CG2 3.98Å; I73-D75 PolarHBondContact O-N 2.58Å; I73-A76 PolarHBondContact O-N 3.24Å; I73-L77 HydrophobicContact CG2-CD1 3.73Å; I73-L77 HydrophobicContact CG2-CG 4.2Å; I73-L77 WeakPolarHBondContact O-CB 3.41Å; I73-L77 WeakPolarHBondContact O-CG 3.4Å; I73-L77 PolarHBondContact O-N 3.35Å; I73-Q96 VanDerWaalsContact CD1-CA 3.44Å; I73-Q96 HydrophobicContact CD1-CB 3.54Å; I73-Q96 HydrophobicContact CD1-CG 3.8Å; I73-T99 HydrophobicContact CB-CG2 3.87Å; I73-T99 HydrophobicContact CG2-CG2 3.75Å; I73-I100 HydrophobicContact CD1-CD1 4.05Å; I73-I100 HydrophobicContact CD1-CG1 4.05Å; I73-I100 HydrophobicContact CG2-CG1 3.75Å
74D92Very high91.7Very high71 Ų7159.4 Ų59.438%0.3831%0.307SS..Hα-helixtrans-60.7-46.1179.1-56.7-81.6000111.6S72 A76 L77 A78 T99 Y103S72-D74 VanDerWaalsContact C-N 3.32Å; D74-A76 VanDerWaalsContact C-N 3.34Å; D74-A76 PolarHBondContact O-N 3.48Å; D74-L77 PolarHBondContact O-N 2.84Å; D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 3.27Å; D74-T99 WeakPolarHBondContact OD1-CG2 3.45Å; D74-T99 WeakPolarHBondContact OD2-CG2 3.28Å; D74-Y103 WeakPolarHBondContact CA-OH 3.5Å; D74-Y103 WeakPolarHBondContact CB-OH 3.26Å; D74-Y103 WeakPolarHBondContact OD1-CE2 3.19Å; D74-Y103 PolarHBondContact OD1-OH 2.9Å
75D93.7Very high91.5Very high103 Ų10357 Ų5755%0.55130%0.298SS*.Hα-helixtrans-65.1-39.3177.5-65.3-38.2000111.6K71 S72 I73 A78 E79K71-D75 HydrophobicContact CD-CB 4.5Å; K71-D75 HydrophobicContact CG-CB 4.03Å; S72-D75 VanDerWaalsContact OG-CB 3.27Å; S72-D75 WeakPolarHBondContact OG-CB 3.35Å; S72-D75 PolarHBondContact OG-N 3.45Å; S72-D75 PolarHBondContact OG-OD2 3Å; I73-D75 PolarHBondContact O-N 2.58Å; D75-A78 PolarHBondContact O-N 3.37Å; D75-E79 WeakPolarHBondContact O-CB 3.32Å; D75-E79 PolarHBondContact O-N 2.86Å
76A93.4Very high91.2Very high0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-65.4-42.2178.200000112.3F46 F66 K71 S72 I73 D74 S80F46-A76 HydrophobicContact CE1-CB 3.59Å; F46-A76 HydrophobicContact CZ-CB 3.79Å; F66-A76 HydrophobicContact CB-CB 4.06Å; F66-A76 HydrophobicContact CD1-CB 3.94Å; F66-A76 HydrophobicContact CD2-CB 3.62Å; F66-A76 HydrophobicContact CE1-CB 4.24Å; F66-A76 HydrophobicContact CE2-CB 3.93Å; F66-A76 WeakPolarHBondContact CE2-O 3.31Å; F66-A76 HydrophobicContact CG-CB 3.6Å; F66-A76 HydrophobicContact CZ-CB 4.22Å; F66-A76 WeakPolarHBondContact CZ-O 3.21Å; K71-A76 HydrophobicContact CD-CB 4.11Å; K71-A76 HydrophobicContact CG-CB 4.27Å; S72-A76 WeakPolarHBondContact O-CB 3.3Å; S72-A76 PolarHBondContact O-N 3.41Å; I73-A76 PolarHBondContact O-N 3.24Å; D74-A76 VanDerWaalsContact C-N 3.34Å; D74-A76 PolarHBondContact O-N 3.48Å; A76-S80 PolarHBondContact O-N 3.4Å
77L90.7Very high91Very high0 Ų057.9 Ų57.90%030%0.303CS..Hα-helixtrans-68.4-41.8176.4-70.1174.6000110.9V20 I44 I73 D74 E79 S80 I82 Y103V20-L77 HydrophobicContact CG2-CD2 4.28Å; I44-L77 HydrophobicContact CD1-CD2 3.55Å; I44-L77 HydrophobicContact CG2-CD2 4.18Å; I73-L77 HydrophobicContact CG2-CD1 3.73Å; I73-L77 HydrophobicContact CG2-CG 4.2Å; I73-L77 WeakPolarHBondContact O-CB 3.41Å; I73-L77 WeakPolarHBondContact O-CG 3.4Å; I73-L77 PolarHBondContact O-N 3.35Å; D74-L77 PolarHBondContact O-N 2.84Å; L77-E79 PolarHBondContact O-N 3.48Å; L77-S80 PolarHBondContact O-N 2.89Å; L77-S80 PolarHBondContact O-OG 3.35Å; L77-I82 PolarHBondContact O-N 3.48Å; L77-Y103 HydrophobicContact CB-CD1 4.41Å; L77-Y103 HydrophobicContact CB-CE1 4.05Å; L77-Y103 HydrophobicContact CD1-CD1 3.79Å; L77-Y103 HydrophobicContact CD1-CD2 3.36Å; L77-Y103 HydrophobicContact CD1-CE1 3.95Å; L77-Y103 HydrophobicContact CD1-CE2 3.56Å; L77-Y103 HydrophobicContact CD1-CG 3.48Å; L77-Y103 VanDerWaalsContact CD1-CG 3.48Å
78A90.2Very high90.7Very high56 Ų5657.4 Ų57.446%0.46330%0.3SS..Hα-helixtrans-59.8-43.7174.100000112.5D74 D75 S80 N81D74-A78 WeakPolarHBondContact O-CB 3.49Å; D74-A78 PolarHBondContact O-N 3.27Å; D75-A78 PolarHBondContact O-N 3.37Å; A78-S80 PolarHBondContact O-N 3.47Å; A78-N81 PolarHBondContact O-N 3.26Å
79E90.5Very high90.6Very high110 Ų11053.8 Ų53.851%0.51429%0.286SS..Hα-helixtrans-62.3-31.2178-176.3177.7155.900112.8K71 D75 L77 N81K71-E79 IonicContact NZ-OE1 3.87Å; K71-E79 IonicContact NZ-OE2 2.58Å; K71-E79 PolarHBondContact NZ-OE2 2.92Å; D75-E79 WeakPolarHBondContact O-CB 3.32Å; D75-E79 PolarHBondContact O-N 2.86Å; L77-E79 PolarHBondContact O-N 3.48Å; E79-N81 PolarHBondContact O-N 3.07Å
80S86.7Confident90.4Very high3 Ų347.4 Ų47.42%0.02126%0.259CS..THydrogen-bonded Turntrans-73.6-9.2175.573.10000113.7A76 L77 A78 I82A76-S80 PolarHBondContact O-N 3.4Å; L77-S80 PolarHBondContact O-N 2.89Å; L77-S80 PolarHBondContact O-OG 3.35Å; A78-S80 PolarHBondContact O-N 3.47Å; S80-I82 WeakPolarHBondContact O-CG1 3.33Å; S80-I82 PolarHBondContact O-N 3.07Å; S80-I82 WeakPolarHBondContact OG-CB 3.36Å; S80-I82 PolarHBondContact OG-N 2.89Å
81N87.1Confident89.9Confident144 Ų14443.4 Ų43.477%0.7723%0.234SC*.THydrogen-bonded Turntrans5428.7-168.2-62.5-69.4000112.9A78 E79A78-N81 PolarHBondContact O-N 3.26Å; E79-N81 PolarHBondContact O-N 3.07Å
82I80.2Confident89.5Confident23 Ų2340.9 Ų40.912%0.11822%0.224CC..  trans-113.2108.4-179.4-63.8164.5000108.3V18 T42 I44 Y64 L77 S80 Q84V18-I82 HydrophobicContact CB-CG2 4.04Å; V18-I82 HydrophobicContact CG1-CD1 4.46Å; V18-I82 HydrophobicContact CG1-CG2 3.52Å; V18-I82 HydrophobicContact CG2-CD1 4.35Å; V18-I82 HydrophobicContact CG2-CG2 3.55Å; T42-I82 HydrophobicContact CG2-CD1 3.63Å; I44-I82 HydrophobicContact CD1-CB 4.08Å; I44-I82 HydrophobicContact CD1-CD1 3.75Å; I44-I82 HydrophobicContact CD1-CG2 4.15Å; I44-I82 HydrophobicContact CG1-CD1 4.13Å; Y64-I82 HydrophobicContact CD2-CD1 4.26Å; Y64-I82 HydrophobicContact CE2-CD1 4.04Å; L77-I82 PolarHBondContact O-N 3.48Å; S80-I82 WeakPolarHBondContact O-CG1 3.33Å; S80-I82 PolarHBondContact O-N 3.07Å; S80-I82 WeakPolarHBondContact OG-CB 3.36Å; S80-I82 PolarHBondContact OG-N 2.89Å; I82-Q84 VanDerWaalsContact CG2-O 3.24Å; I82-Q84 WeakPolarHBondContact CG2-O 3.48Å
83N78.9Confident89Confident125 Ų12539.1 Ų39.167%0.66821%0.214SC*.  trans-98.21.1-177.7-61-15.2000112.9
84Q87Confident88.7Confident89 Ų8940.6 Ų40.642%0.41623%0.232SC..  trans-136.9127.8-176.3167.6163.522.200110.2V18 I82 N105V18-Q84 WeakPolarHBondContact CB-O 3.32Å; I82-Q84 VanDerWaalsContact CG2-O 3.24Å; I82-Q84 WeakPolarHBondContact CG2-O 3.48Å; Q84-N105 WeakPolarHBondContact CB-ND2 3.32Å; Q84-N105 WeakPolarHBondContact CG-ND2 3.32Å; Q84-N105 PolarHBondContact NE2-ND2 3.03Å; Q84-N105 PolarHBondContact OE1-ND2 2.97Å
85V92.7Very high88.4Confident0 Ų044.9 Ų44.90%025%0.25CS..EExtended strand (participates in β ladder)trans-107.9115.8175.2177.20000108.9V20 C87 Y103 M104 S108V20-V85 HydrophobicContact CB-CG1 4.06Å; V20-V85 HydrophobicContact CG2-CB 4.21Å; V20-V85 HydrophobicContact CG2-CG1 3.61Å; V20-V85 HydrophobicContact CG2-CG2 3.49Å; V20-V85 VanDerWaalsContact CG2-CG2 3.49Å; V85-C87 VanDerWaalsContact CG1-O 3.26Å; V85-C87 WeakPolarHBondContact CG1-O 3.45Å; V85-Y103 PolarHBondContact N-O 3.17Å; V85-M104 HydrophobicContact CB-CG 4.1Å; V85-M104 HydrophobicContact CG1-CG 4.1Å; V85-S108 WeakPolarHBondContact O-CB 3.41Å; V85-S108 PolarHBondContact O-OG 2.67Å
86D92.5Very high88.1Confident33 Ų3341.2 Ų41.218%0.17623%0.229CC..EExtended strand (participates in β ladder)trans-84.5-36.3179.6-60.6-55.9000111.8N17 V18 S108 H109N17-D86 WeakPolarHBondContact CA-OD2 3.49Å; N17-D86 HydrophobicContact CB-CB 3.82Å; N17-D86 WeakPolarHBondContact ND2-CB 3.36Å; N17-D86 PolarHBondContact ND2-OD2 2.89Å; V18-D86 PolarHBondContact N-OD2 3.07Å; V18-D86 PolarHBondContact O-N 3.12Å; D86-S108 CarbonylContact O-C 3.49Å; D86-S108 WeakPolarHBondContact O-CA 3.43Å; D86-S108 WeakPolarHBondContact O-CB 3.38Å; D86-H109 PolarHBondContact O-N 2.89Å
87C92.8Very high87.8Confident1 Ų141.4 Ų41.41%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-132136.1176.7-470000110.4C11 V18 V19 V20 V85 H109C11-C87 HydrophobicContact CB-CB 3.84Å; C11-C87 PolarHBondContact O-SG 3.12Å; V18-C87 PolarHBondContact O-N 3.23Å; V19-C87 CarbonylContact C-O 3.59Å; V19-C87 VanDerWaalsContact CA-O 3.28Å; V19-C87 WeakPolarHBondContact CA-O 3.37Å; V19-C87 HydrophobicContact CB-CB 4.36Å; V19-C87 HydrophobicContact CG1-CB 4.14Å; V19-C87 HydrophobicContact CG2-CB 3.94Å; V20-C87 PolarHBondContact N-O 3.41Å; V85-C87 VanDerWaalsContact CG1-O 3.26Å; V85-C87 WeakPolarHBondContact CG1-O 3.45Å; C87-H109 CarbonylContact C-O 3.11Å; C87-H109 VanDerWaalsContact CA-O 3.25Å; C87-H109 WeakPolarHBondContact CA-O 3.29Å
88Y92.2Very high87.7Confident0 Ų046.1 Ų46.10%026%0.256CS..EExtended strand (participates in β ladder)trans-121.4119.4170.7175.9-147.7000109.7V20 T22 D90 S97 I100 M104 H109 L110 C111V20-Y88 HydrophobicContact CB-CD2 4.01Å; V20-Y88 HydrophobicContact CG1-CD2 3.95Å; V20-Y88 HydrophobicContact CG1-CE2 4.2Å; T22-Y88 HydrophobicContact CG2-CE2 3.75Å; T22-Y88 WeakPolarHBondContact CG2-OH 3.42Å; T22-Y88 PolarHBondContact OG1-OH 3.19Å; Y88-D90 HydrophobicContact CD1-CB 4.33Å; Y88-D90 HydrophobicContact CE1-CB 3.69Å; Y88-D90 HydrophobicContact CE2-CB 4.02Å; Y88-D90 PolarHBondContact OH-OD1 2.83Å; Y88-S97 PolarHBondContact OH-OG 3.17Å; Y88-I100 HydrophobicContact CD1-CB 4.22Å; Y88-I100 HydrophobicContact CD1-CG2 3.67Å; Y88-I100 HydrophobicContact CD2-CD1 4.27Å; Y88-I100 HydrophobicContact CD2-CG2 3.79Å; Y88-I100 HydrophobicContact CE1-CB 4.12Å; Y88-I100 HydrophobicContact CE1-CD1 4.33Å; Y88-I100 HydrophobicContact CE1-CG2 4.05Å; Y88-I100 HydrophobicContact CE2-CD1 3.61Å; Y88-I100 HydrophobicContact CE2-CG2 4.16Å; Y88-I100 HydrophobicContact CG-CG2 3.58Å; Y88-M104 VanDerWaalsContact CB-SD 3.6Å; Y88-M104 HydrophobicContact CD1-SD 4.12Å; Y88-M104 HydrophobicContact CG-SD 4.33Å; Y88-H109 PolarHBondContact N-O 2.74Å; Y88-L110 HydrophobicContact CD1-CD1 3.32Å; Y88-L110 HydrophobicContact CE1-CD1 3.93Å; Y88-L110 HydrophobicContact CG-CD1 3.82Å; Y88-L110 WeakPolarHBondContact O-CA 3.36Å; Y88-L110 WeakPolarHBondContact O-CD1 3.43Å; Y88-C111 PolarHBondContact O-N 3.04Å
89F91.6Very high87.7Confident0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-99.799.6172.8-159.4-71.9000109.2M7 V20 V21 T22 V28 A32 N91 C111 C113M7-F89 HydrophobicContact CG-CD2 4.04Å; M7-F89 HydrophobicContact CG-CE2 4.14Å; M7-F89 HydrophobicContact SD-CB 4.42Å; M7-F89 HydrophobicContact SD-CD2 3.61Å; M7-F89 HydrophobicContact SD-CE2 4.31Å; M7-F89 HydrophobicContact SD-CG 4.38Å; V20-F89 PolarHBondContact O-N 3.27Å; V21-F89 HydrophobicContact CG1-CB 4.34Å; V21-F89 HydrophobicContact CG2-CB 4.16Å; T22-F89 PolarHBondContact N-O 2.85Å; V28-F89 HydrophobicContact CG1-CE1 4.06Å; V28-F89 HydrophobicContact CG1-CZ 3.98Å; A32-F89 HydrophobicContact CB-CD1 4.3Å; A32-F89 HydrophobicContact CB-CD2 4.08Å; A32-F89 HydrophobicContact CB-CE1 4.35Å; A32-F89 HydrophobicContact CB-CE2 4.11Å; A32-F89 HydrophobicContact CB-CG 4.16Å; A32-F89 HydrophobicContact CB-CZ 4.26Å; F89-N91 WeakPolarHBondContact CD1-ND2 3.43Å; F89-N91 VanDerWaalsContact CE1-OD1 3.31Å; F89-N91 WeakPolarHBondContact CE1-OD1 3.49Å; F89-C111 CarbonylContact C-O 3.28Å; F89-C111 WeakPolarHBondContact CA-O 3.23Å; F89-C111 HydrophobicContact CD2-CB 4.06Å; F89-C111 HydrophobicContact CE2-CB 4.39Å; F89-C113 HydrophobicContact CD1-CB 4.29Å; F89-C113 HydrophobicContact CE1-CB 3.39Å; F89-C113 HydrophobicContact CZ-CB 3.81Å
90D90.1Very high87.7Confident9 Ų939.4 Ų39.45%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-91.2114.1-175-170.94.9000111.7T22 Y88 V92 G93 S97 L110 C111 I112 C113T22-D90 PolarHBondContact OG1-OD1 3.32Å; Y88-D90 HydrophobicContact CD1-CB 4.33Å; Y88-D90 HydrophobicContact CE1-CB 3.69Å; Y88-D90 HydrophobicContact CE2-CB 4.02Å; Y88-D90 PolarHBondContact OH-OD1 2.83Å; D90-V92 PolarHBondContact OD1-N 3.01Å; D90-G93 PolarHBondContact OD1-N 3.38Å; D90-G93 WeakPolarHBondContact OD2-CA 3.4Å; D90-G93 PolarHBondContact OD2-N 3.38Å; D90-S97 PolarHBondContact OD1-OG 3.05Å; D90-S97 WeakPolarHBondContact OD2-CB 3.27Å; D90-S97 PolarHBondContact OD2-OG 3.33Å; D90-L110 HydrophobicContact CB-CD1 3.94Å; D90-C111 PolarHBondContact N-O 3.17Å; D90-I112 HydrophobicContact CB-CG1 4.35Å; D90-I112 WeakPolarHBondContact O-CA 3.33Å; D90-C113 PolarHBondContact O-N 3Å
91N85.3Confident87.8Confident13 Ų1341.4 Ų41.47%0.0723%0.227CC..SBendtrans-110.53.2173.7-66.4-65.6000112.6T22 A23 F89 C113 G114T22-N91 WeakPolarHBondContact O-CB 3.42Å; T22-N91 PolarHBondContact O-ND2 2.94Å; T22-N91 PolarHBondContact OG1-N 2.91Å; A23-N91 HydrophobicContact CB-CB 3.79Å; F89-N91 WeakPolarHBondContact CD1-ND2 3.43Å; F89-N91 VanDerWaalsContact CE1-OD1 3.31Å; F89-N91 WeakPolarHBondContact CE1-OD1 3.49Å; N91-C113 VanDerWaalsContact OD1-CB 3.3Å; N91-C113 WeakPolarHBondContact OD1-CB 3.39Å; N91-G114 CarbonylContact C-O 3.54Å; N91-G114 VanDerWaalsContact C-O 3.28Å
92V86.5Confident87.9Confident16 Ų1640.8 Ų40.810%0.09722%0.223CC..SBendtrans-123.8-51.6-170.3-177.30000111.3A23 D90 S115 I116 S117A23-V92 HydrophobicContact CB-CG2 3.76Å; D90-V92 PolarHBondContact OD1-N 3.01Å; V92-S115 WeakPolarHBondContact O-CA 3.49Å; V92-S115 WeakPolarHBondContact O-CB 3.47Å; V92-I116 HydrophobicContact CB-CG1 4.41Å; V92-I116 HydrophobicContact CG1-CG1 4.3Å; V92-I116 HydrophobicContact CG2-CD1 4.1Å; V92-I116 HydrophobicContact CG2-CG1 4.23Å; V92-S117 PolarHBondContact O-OG 3.46Å; V92-S117 VanDerWaalsContact O-OG 3.05Å
93G83.7Confident88.3Confident12 Ų1241.9 Ų41.912%0.12423%0.226CC..  trans78.2-166.9-167.800000113D90 S97D90-G93 PolarHBondContact OD1-N 3.38Å; D90-G93 WeakPolarHBondContact OD2-CA 3.4Å; D90-G93 PolarHBondContact OD2-N 3.38Å; G93-S97 VanDerWaalsContact CA-OG 3.27Å; G93-S97 WeakPolarHBondContact CA-OG 3.43Å
94G85.1Confident88.8Confident44 Ų4436.3 Ų36.345%0.45420%0.196SC..THydrogen-bonded Turntrans69.6-148.7174.300000114.4Q96 S97 N98G94-Q96 VanDerWaalsContact C-N 3.26Å; G94-Q96 PolarHBondContact O-N 3Å; G94-S97 PolarHBondContact O-N 2.79Å; G94-S97 VanDerWaalsContact O-N 3.14Å; G94-N98 PolarHBondContact O-N 2.79Å; G94-N98 VanDerWaalsContact O-N 3.16Å
95E85.8Confident88.6Confident162 Ų16234.8 Ų34.876%0.75719%0.191SC*.Hα-helixtrans-58.5-36.9-174-172.3-179.1173.900112.7S97 N98 T99E95-S97 VanDerWaalsContact C-N 3.3Å; E95-S97 PolarHBondContact O-N 3.39Å; E95-N98 PolarHBondContact O-N 3.32Å; E95-T99 PolarHBondContact O-N 3.23Å; E95-T99 PolarHBondContact O-OG1 2.56Å
96Q87.3Confident88Confident25 Ų2538.4 Ų38.412%0.11722%0.215CC..Hα-helixtrans-59.6-45178.7-61.4-170.118.300111.5T22 I73 G94 T99 I100T22-Q96 HydrophobicContact CG2-CB 4.45Å; I73-Q96 VanDerWaalsContact CD1-CA 3.44Å; I73-Q96 HydrophobicContact CD1-CB 3.54Å; I73-Q96 HydrophobicContact CD1-CG 3.8Å; G94-Q96 VanDerWaalsContact C-N 3.26Å; G94-Q96 PolarHBondContact O-N 3Å; Q96-T99 PolarHBondContact O-N 3.11Å; Q96-I100 WeakPolarHBondContact O-CB 3.48Å; Q96-I100 WeakPolarHBondContact O-CD1 3.48Å; Q96-I100 VanDerWaalsContact O-CG1 3.23Å; Q96-I100 WeakPolarHBondContact O-CG1 3.49Å; Q96-I100 PolarHBondContact O-N 3.17Å
97S87.6Confident87.5Confident5 Ų538.9 Ų38.94%0.03523%0.227CC..Hα-helixtrans-66.2-40.2178.8-58.80000111.5Y88 D90 G93 G94 E95 T99 I100 M101Y88-S97 PolarHBondContact OH-OG 3.17Å; D90-S97 PolarHBondContact OD1-OG 3.05Å; D90-S97 WeakPolarHBondContact OD2-CB 3.27Å; D90-S97 PolarHBondContact OD2-OG 3.33Å; G93-S97 VanDerWaalsContact CA-OG 3.27Å; G93-S97 WeakPolarHBondContact CA-OG 3.43Å; G94-S97 PolarHBondContact O-N 2.79Å; G94-S97 VanDerWaalsContact O-N 3.14Å; E95-S97 VanDerWaalsContact C-N 3.3Å; E95-S97 PolarHBondContact O-N 3.39Å; S97-T99 PolarHBondContact O-N 3.16Å; S97-I100 PolarHBondContact O-N 3.14Å; S97-M101 VanDerWaalsContact O-CB 3.28Å; S97-M101 WeakPolarHBondContact O-CB 3.5Å; S97-M101 WeakPolarHBondContact O-CE 3.27Å; S97-M101 WeakPolarHBondContact O-CG 3.44Å; S97-M101 PolarHBondContact O-N 2.88Å
98N87.4Confident87.3Confident99 Ų9939 Ų3953%0.52923%0.228SC..Hα-helixtrans-59.3-46175.8-70-21.5000111.7G94 E95 M101 N102G94-N98 PolarHBondContact O-N 2.79Å; G94-N98 VanDerWaalsContact O-N 3.16Å; E95-N98 PolarHBondContact O-N 3.32Å; N98-M101 WeakPolarHBondContact OD1-CE 3.49Å; N98-N102 PolarHBondContact O-N 2.78Å; N98-N102 PolarHBondContact O-ND2 2.73Å
99T89.9Confident87.1Confident24 Ų2441.3 Ų41.315%0.14724%0.239CC..Hα-helixtrans-65.4-48.3177.2-56.20000111.3I73 D74 E95 Q96 S97 M101 N102 Y103I73-T99 HydrophobicContact CB-CG2 3.87Å; I73-T99 HydrophobicContact CG2-CG2 3.75Å; D74-T99 WeakPolarHBondContact OD1-CG2 3.45Å; D74-T99 WeakPolarHBondContact OD2-CG2 3.28Å; E95-T99 PolarHBondContact O-N 3.23Å; E95-T99 PolarHBondContact O-OG1 2.56Å; Q96-T99 PolarHBondContact O-N 3.11Å; S97-T99 PolarHBondContact O-N 3.16Å; T99-M101 VanDerWaalsContact C-N 3.3Å; T99-M101 PolarHBondContact O-N 3.46Å; T99-N102 WeakPolarHBondContact O-CB 3.44Å; T99-N102 PolarHBondContact O-N 2.83Å; T99-N102 VanDerWaalsContact O-N 3.09Å; T99-Y103 HydrophobicContact CG2-CE2 4.25Å; T99-Y103 WeakPolarHBondContact O-CD2 3.42Å
100I90.8Very high86.8Confident0 Ų042 Ų420%024%0.242CC..Hα-helixtrans-62.2-38.1-179-66.1162000111.5V20 T22 F46 I73 Y88 Q96 S97 N102 Y103 M104V20-I100 HydrophobicContact CB-CG2 4.18Å; V20-I100 HydrophobicContact CG1-CD1 3.7Å; V20-I100 HydrophobicContact CG1-CG1 4.19Å; V20-I100 HydrophobicContact CG1-CG2 4.03Å; V20-I100 HydrophobicContact CG2-CG2 4.38Å; T22-I100 HydrophobicContact CG2-CD1 3.61Å; F46-I100 HydrophobicContact CD2-CD1 4.47Å; F46-I100 HydrophobicContact CE2-CD1 4.48Å; I73-I100 HydrophobicContact CD1-CD1 4.05Å; I73-I100 HydrophobicContact CD1-CG1 4.05Å; I73-I100 HydrophobicContact CG2-CG1 3.75Å; Y88-I100 HydrophobicContact CD1-CB 4.22Å; Y88-I100 HydrophobicContact CD1-CG2 3.67Å; Y88-I100 HydrophobicContact CD2-CD1 4.27Å; Y88-I100 HydrophobicContact CD2-CG2 3.79Å; Y88-I100 HydrophobicContact CE1-CB 4.12Å; Y88-I100 HydrophobicContact CE1-CD1 4.33Å; Y88-I100 HydrophobicContact CE1-CG2 4.05Å; Y88-I100 HydrophobicContact CE2-CD1 3.61Å; Y88-I100 HydrophobicContact CE2-CG2 4.16Å; Y88-I100 HydrophobicContact CG-CG2 3.58Å; Q96-I100 WeakPolarHBondContact O-CB 3.48Å; Q96-I100 WeakPolarHBondContact O-CD1 3.48Å; Q96-I100 VanDerWaalsContact O-CG1 3.23Å; Q96-I100 WeakPolarHBondContact O-CG1 3.49Å; Q96-I100 PolarHBondContact O-N 3.17Å; S97-I100 PolarHBondContact O-N 3.14Å; I100-N102 PolarHBondContact O-N 3.17Å; I100-Y103 WeakPolarHBondContact O-CB 3.25Å; I100-Y103 PolarHBondContact O-N 2.96Å; I100-M104 PolarHBondContact O-N 3.2Å
101M88.7Confident86.5Confident46 Ų4641.6 Ų41.623%0.22724%0.24CC..Hα-helixtrans-60.8-27.5177.4-77.9-172.6-63.900112.8S97 N98 T99 Y103 M104 L110 F131S97-M101 VanDerWaalsContact O-CB 3.28Å; S97-M101 WeakPolarHBondContact O-CB 3.5Å; S97-M101 WeakPolarHBondContact O-CE 3.27Å; S97-M101 WeakPolarHBondContact O-CG 3.44Å; S97-M101 PolarHBondContact O-N 2.88Å; N98-M101 WeakPolarHBondContact OD1-CE 3.49Å; T99-M101 VanDerWaalsContact C-N 3.3Å; T99-M101 PolarHBondContact O-N 3.46Å; M101-Y103 PolarHBondContact O-N 2.9Å; M101-M104 HydrophobicContact CG-SD 4.17Å; M101-M104 WeakPolarHBondContact O-CB 3.33Å; M101-M104 PolarHBondContact O-N 3.29Å; M101-M104 VanDerWaalsContact O-N 3.16Å; M101-L110 HydrophobicContact SD-CD2 4.16Å; M101-F131 HydrophobicContact SD-CE2 4.33Å
102N89.1Confident86.1Confident130 Ų13043.2 Ų43.270%0.69525%0.248SC*.THydrogen-bonded Turntrans-69.1-18.5174.2-63.9-31.9000113.4N98 T99 I100N98-N102 PolarHBondContact O-N 2.78Å; N98-N102 PolarHBondContact O-ND2 2.73Å; T99-N102 WeakPolarHBondContact O-CB 3.44Å; T99-N102 PolarHBondContact O-N 2.83Å; T99-N102 VanDerWaalsContact O-N 3.09Å; I100-N102 PolarHBondContact O-N 3.17Å
103Y90.1Very high85.3Confident46 Ų4643.4 Ų43.418%0.1825%0.25CC..THydrogen-bonded Turntrans-95.9-3174.9-68.2-96.7000112.7D74 L77 V85 T99 I100 M101D74-Y103 WeakPolarHBondContact CA-OH 3.5Å; D74-Y103 WeakPolarHBondContact CB-OH 3.26Å; D74-Y103 WeakPolarHBondContact OD1-CE2 3.19Å; D74-Y103 PolarHBondContact OD1-OH 2.9Å; L77-Y103 HydrophobicContact CB-CD1 4.41Å; L77-Y103 HydrophobicContact CB-CE1 4.05Å; L77-Y103 HydrophobicContact CD1-CD1 3.79Å; L77-Y103 HydrophobicContact CD1-CD2 3.36Å; L77-Y103 HydrophobicContact CD1-CE1 3.95Å; L77-Y103 HydrophobicContact CD1-CE2 3.56Å; L77-Y103 HydrophobicContact CD1-CG 3.48Å; L77-Y103 VanDerWaalsContact CD1-CG 3.48Å; V85-Y103 PolarHBondContact N-O 3.17Å; T99-Y103 HydrophobicContact CG2-CE2 4.25Å; T99-Y103 WeakPolarHBondContact O-CD2 3.42Å; I100-Y103 WeakPolarHBondContact O-CB 3.25Å; I100-Y103 PolarHBondContact O-N 2.96Å; M101-Y103 PolarHBondContact O-N 2.9Å
104M89.3Confident84.3Confident9 Ų943.7 Ų43.74%0.04425%0.253CS..EExtended strand (participates in β ladder)trans-84.1136.8175.8-63-174.475.700110V85 Y88 I100 M101 H109 L110V85-M104 HydrophobicContact CB-CG 4.1Å; V85-M104 HydrophobicContact CG1-CG 4.1Å; Y88-M104 VanDerWaalsContact CB-SD 3.6Å; Y88-M104 HydrophobicContact CD1-SD 4.12Å; Y88-M104 HydrophobicContact CG-SD 4.33Å; I100-M104 PolarHBondContact O-N 3.2Å; M101-M104 HydrophobicContact CG-SD 4.17Å; M101-M104 WeakPolarHBondContact O-CB 3.33Å; M101-M104 PolarHBondContact O-N 3.29Å; M101-M104 VanDerWaalsContact O-N 3.16Å; M104-H109 WeakPolarHBondContact CE-O 3.49Å; M104-L110 HydrophobicContact CE-CB 4.13Å
105N82.2Confident82.6Confident57 Ų5743.2 Ų43.231%0.30524%0.243SC..EExtended strand (participates in β ladder)trans-101.2165.8-179.6-78.8-36.6000111.6Q84 G107 S108Q84-N105 WeakPolarHBondContact CB-ND2 3.32Å; Q84-N105 WeakPolarHBondContact CG-ND2 3.32Å; Q84-N105 PolarHBondContact NE2-ND2 3.03Å; Q84-N105 PolarHBondContact OE1-ND2 2.97Å; N105-G107 PolarHBondContact O-N 2.94Å; N105-S108 PolarHBondContact N-OG 3.1Å; N105-S108 VanDerWaalsContact N-OG 3.12Å; N105-S108 WeakPolarHBondContact O-CB 3.37Å; N105-S108 PolarHBondContact O-N 3.45Å; N105-S108 PolarHBondContact O-OG 3.12Å; N105-S108 VanDerWaalsContact O-OG 3.06Å
106P80.8Confident80.9Confident76 Ų7641.6 Ų41.649%0.49424%0.238SC..EExtended strand (participates in β ladder)trans-50.5127.8169.1-27.635.7000111.7F131 L133P106-F131 WeakPolarHBondContact CA-O 3.48Å; P106-L133 HydrophobicContact CG-CB 4.23Å
107G82.5Confident79.1Confident43 Ų4343.8 Ų43.844%0.44326%0.256SS..EExtended strand (participates in β ladder)trans87.3-1.9-176.600000114.9N105 H109N105-G107 PolarHBondContact O-N 2.94Å; G107-H109 PolarHBondContact O-CD2 3.34Å; G107-H109 VanDerWaalsContact O-CD2 3.32Å; G107-H109 PolarHBondContact O-NE2 2.98Å
108S88Confident77.1Confident3 Ų350 Ų502%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-68.8154.7167.5-63.80000111.2V85 D86 N105V85-S108 WeakPolarHBondContact O-CB 3.41Å; V85-S108 PolarHBondContact O-OG 2.67Å; D86-S108 CarbonylContact O-C 3.49Å; D86-S108 WeakPolarHBondContact O-CA 3.43Å; D86-S108 WeakPolarHBondContact O-CB 3.38Å; N105-S108 PolarHBondContact N-OG 3.1Å; N105-S108 VanDerWaalsContact N-OG 3.12Å; N105-S108 WeakPolarHBondContact O-CB 3.37Å; N105-S108 PolarHBondContact O-N 3.45Å; N105-S108 PolarHBondContact O-OG 3.12Å; N105-S108 VanDerWaalsContact O-OG 3.06Å
109H87.8Confident74.7Confident49 Ų4953.5 Ų53.523%0.22730%0.303CS..EExtended strand (participates in β ladder)trans-116.5129.6-175.7-64-94.3000111.6Y10 C11 D86 C87 Y88 M104 G107Y10-H109 WeakPolarHBondContact O-CB 3.01Å; Y10-H109 PolarHBondContact O-ND1 3.07Å; C11-H109 VanDerWaalsContact O-CB 3.31Å; C11-H109 WeakPolarHBondContact O-CB 3.34Å; D86-H109 PolarHBondContact O-N 2.89Å; C87-H109 CarbonylContact C-O 3.11Å; C87-H109 VanDerWaalsContact CA-O 3.25Å; C87-H109 WeakPolarHBondContact CA-O 3.29Å; Y88-H109 PolarHBondContact N-O 2.74Å; M104-H109 WeakPolarHBondContact CE-O 3.49Å; G107-H109 PolarHBondContact O-CD2 3.34Å; G107-H109 VanDerWaalsContact O-CD2 3.32Å; G107-H109 PolarHBondContact O-NE2 2.98Å
110L85.6Confident72.1Confident14 Ų1456.5 Ų56.57%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-106.5125.2174.7173.656.1000109.7Y88 D90 M101 M104 I112Y88-L110 HydrophobicContact CD1-CD1 3.32Å; Y88-L110 HydrophobicContact CE1-CD1 3.93Å; Y88-L110 HydrophobicContact CG-CD1 3.82Å; Y88-L110 WeakPolarHBondContact O-CA 3.36Å; Y88-L110 WeakPolarHBondContact O-CD1 3.43Å; D90-L110 HydrophobicContact CB-CD1 3.94Å; M101-L110 HydrophobicContact SD-CD2 4.16Å; M104-L110 HydrophobicContact CE-CB 4.13Å; L110-I112 HydrophobicContact CD1-CG1 4.18Å; L110-I112 HydrophobicContact CD2-CD1 4.23Å; L110-I112 HydrophobicContact CD2-CG1 4.22Å; L110-I112 HydrophobicContact CG-CD1 4.47Å; L110-I112 HydrophobicContact CG-CG1 3.96Å
111C83.8Confident69.5Low1 Ų166.6 Ų66.61%0.00737%0.373CS..EExtended strand (participates in β ladder)trans-112.2118.5168.8176.40000109.6G6 C11 Y88 F89 D90G6-C111 WeakPolarHBondContact CA-SG 3.15Å; C11-C111 WeakPolarHBondContact SG-CB 3.22Å; Y88-C111 PolarHBondContact O-N 3.04Å; F89-C111 CarbonylContact C-O 3.28Å; F89-C111 WeakPolarHBondContact CA-O 3.23Å; F89-C111 HydrophobicContact CD2-CB 4.06Å; F89-C111 HydrophobicContact CE2-CB 4.39Å; D90-C111 PolarHBondContact N-O 3.17Å
112I75.7Confident66.9Low47 Ų4772.8 Ų72.824%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-100.5122.6176.8-54175.7000108.5D90 L110 R127D90-I112 HydrophobicContact CB-CG1 4.35Å; D90-I112 WeakPolarHBondContact O-CA 3.33Å; L110-I112 HydrophobicContact CD1-CG1 4.18Å; L110-I112 HydrophobicContact CD2-CD1 4.23Å; L110-I112 HydrophobicContact CD2-CG1 4.22Å; L110-I112 HydrophobicContact CG-CD1 4.47Å; L110-I112 HydrophobicContact CG-CG1 3.96Å; I112-R127 HydrophobicContact CD1-CB 4.49Å
113C70.3Confident64.2Low19 Ų1975.2 Ų75.213%0.12841%0.408CS..  trans-110.19.2-174.8-174.90000113.7T2 F89 D90 N91T2-C113 HydrophobicContact CG2-CB 4.26Å; T2-C113 WeakPolarHBondContact CG2-SG 3.47Å; F89-C113 HydrophobicContact CD1-CB 4.29Å; F89-C113 HydrophobicContact CE1-CB 3.39Å; F89-C113 HydrophobicContact CZ-CB 3.81Å; D90-C113 PolarHBondContact O-N 3Å; N91-C113 VanDerWaalsContact OD1-CB 3.3Å; N91-C113 WeakPolarHBondContact OD1-CB 3.39Å
114G62.2Low61.5Low19 Ų1976.3 Ų76.320%0.19642%0.423CS..  trans119.6121.7178.100000110.8N91 I116N91-G114 CarbonylContact C-O 3.54Å; N91-G114 VanDerWaalsContact C-O 3.28Å; G114-I116 PolarHBondContact O-N 3.39Å
115S50.8Low59Low34 Ų3481 Ų8124%0.23845%0.452CS..  trans-73.7100.3177.345.40000109V92 S117 E118V92-S115 WeakPolarHBondContact O-CA 3.49Å; V92-S115 WeakPolarHBondContact O-CB 3.47Å; S115-S117 PolarHBondContact O-N 3.19Å; S115-E118 PolarHBondContact O-N 3.06Å; S115-E118 VanDerWaalsContact O-N 3.08Å; S115-E118 WeakPolarHBondContact OG-CB 3.42Å; S115-E118 PolarHBondContact OG-OE2 3.34Å
116I50.1Low56.9Low127 Ų12780 Ų8065%0.65145%0.448SS*.THydrogen-bonded Turntrans-59.9-11.5170.661.4166.5000112.7V92 G114V92-I116 HydrophobicContact CB-CG1 4.41Å; V92-I116 HydrophobicContact CG1-CG1 4.3Å; V92-I116 HydrophobicContact CG2-CD1 4.1Å; V92-I116 HydrophobicContact CG2-CG1 4.23Å; G114-I116 PolarHBondContact O-N 3.39Å
117S49.5Very low55Low72 Ų7285 Ų8550%0.50346%0.457SS..THydrogen-bonded Turntrans-83.9-22.5174.962.90000114.4V92 S115V92-S117 PolarHBondContact O-OG 3.46Å; V92-S117 VanDerWaalsContact O-OG 3.05Å; S115-S117 PolarHBondContact O-N 3.19Å
118E45.7Very low53.1Low134 Ų13488.6 Ų88.663%0.62646%0.463SS*.  trans-10488.4179.9-61.6171.1155.200108.5S115 S120S115-E118 PolarHBondContact O-N 3.06Å; S115-E118 VanDerWaalsContact O-N 3.08Å; S115-E118 WeakPolarHBondContact OG-CB 3.42Å; S115-E118 PolarHBondContact OG-OE2 3.34Å; E118-S120 PolarHBondContact O-N 3.37Å
119D35.3Very low51.2Low173 Ų17391.5 Ų91.593%0.92548%0.481SS*.  trans-71.173.9176.2-149.414.8000109.5
120S36.6Very low49.1Very low88 Ų8892.7 Ų92.762%0.61550%0.495SS*.SBendtrans-154.8129.7172.6520000111.2E118 E122E118-S120 PolarHBondContact O-N 3.37Å; S120-E122 PolarHBondContact O-N 3.26Å
121Q35.3Very low47.3Very low212 Ų21296.3 Ų96.399%0.99151%0.51SS*.  trans-66.250-166.8-58174.622.600116.2
122E34Very low45Very low175 Ų175100.4 Ų100.482%0.81854%0.538SS*.  trans-106.2122.7175.3-152.8161.8-172.400109.4S120 S124S120-E122 PolarHBondContact O-N 3.26Å; E122-S124 PolarHBondContact O-N 3.05Å
123E33.5Very low43.1Very low182 Ų182101.6 Ų101.685%0.8554%0.544SS*.  trans-41.8112.5176.8-73.9178.8144.700109.3V125E123-V125 VanDerWaalsContact C-N 3.29Å; E123-V125 PolarHBondContact O-N 2.85Å
124S33.6Very low41.4Very low68 Ų68105.2 Ų105.248%0.47657%0.57SS.*  trans-63.495.6-177.959.50000108.4E122 V126E122-S124 PolarHBondContact O-N 3.05Å; S124-V126 PolarHBondContact O-N 3.08Å; S124-V126 VanDerWaalsContact O-N 3.12Å
125V35.3Very low40.2Very low109 Ų109116.4 Ų116.466%0.66162%0.616SS**  trans-65.7113.1172.5-1800000105.9E123 R127E123-V125 VanDerWaalsContact C-N 3.29Å; E123-V125 PolarHBondContact O-N 2.85Å; V125-R127 VanDerWaalsContact C-N 3.26Å; V125-R127 HydrophobicContact CG1-CG 4.36Å; V125-R127 PolarHBondContact O-N 2.78Å
126V37.7Very low39.7Very low36 Ų36120.5 Ų120.522%0.21864%0.635CS.*  trans-61.393.4170.2-175.30000106.9Y10 S124 M128Y10-V126 HydrophobicContact CD1-CB 4.44Å; Y10-V126 HydrophobicContact CD1-CG1 3.52Å; Y10-V126 HydrophobicContact CD2-CG1 4.25Å; Y10-V126 HydrophobicContact CE1-CB 4.13Å; Y10-V126 HydrophobicContact CE1-CG1 3.69Å; Y10-V126 HydrophobicContact CE2-CG1 4.37Å; Y10-V126 HydrophobicContact CG-CG1 3.87Å; S124-V126 PolarHBondContact O-N 3.08Å; S124-V126 VanDerWaalsContact O-N 3.12Å; V126-M128 PolarHBondContact O-N 2.81Å
127R41.2Very low39.1Very low180 Ų180120.2 Ų120.268%0.67963%0.634SS**  trans-77.6106176.7-83.2-163.6173.4176.12.1109.1I112 V125 T129I112-R127 HydrophobicContact CD1-CB 4.49Å; V125-R127 VanDerWaalsContact C-N 3.26Å; V125-R127 HydrophobicContact CG1-CG 4.36Å; V125-R127 PolarHBondContact O-N 2.78Å; R127-T129 PolarHBondContact O-N 3.43Å; R127-T129 VanDerWaalsContact O-N 3.11Å
128M42.4Very low38.6Very low119 Ų119122.8 Ų122.859%0.58664%0.642SS**  trans-68.798.5163.4-77.2166152.100108.9Y10 V126Y10-M128 HydrophobicContact CD1-CE 3.02Å; Y10-M128 HydrophobicContact CD1-CG 3.52Å; Y10-M128 HydrophobicContact CD1-SD 3.72Å; Y10-M128 HydrophobicContact CE1-CE 3.37Å; Y10-M128 HydrophobicContact CE1-CG 4.03Å; Y10-M128 HydrophobicContact CE1-SD 3.82Å; Y10-M128 HydrophobicContact CG-CE 3.86Å; V126-M128 PolarHBondContact O-N 2.81Å
129T48.9Very low38.1Very low63 Ų63122.2 Ų122.239%0.38764%0.643SS.*  trans-110.599.5165.2-37.30000106.7R127 F131R127-T129 PolarHBondContact O-N 3.43Å; R127-T129 VanDerWaalsContact O-N 3.11Å; T129-F131 HydrophobicContact CG2-CD2 4.19Å; T129-F131 PolarHBondContact O-N 3.06Å; T129-F131 VanDerWaalsContact O-N 3.11Å
130S43.6Very low38.3Very low74 Ų74119 Ų11952%0.51763%0.625SS.*  trans-68.5105.9160.8-174.20000105.7C132S130-C132 PolarHBondContact O-N 3.43Å
131F46.9Very low38.4Very low90 Ų90121.1 Ų121.140%0.39563%0.625SS.*  trans-76.892.4-177.3-131.2-81.5000107.7M101 P106 T129 L133M101-F131 HydrophobicContact SD-CE2 4.33Å; P106-F131 WeakPolarHBondContact CA-O 3.48Å; T129-F131 HydrophobicContact CG2-CD2 4.19Å; T129-F131 PolarHBondContact O-N 3.06Å; T129-F131 VanDerWaalsContact O-N 3.11Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 HydrophobicContact CD1-CD2 3.75Å; F131-L133 HydrophobicContact CD1-CG 3.73Å; F131-L133 HydrophobicContact CE1-CD2 3.64Å; F131-L133 HydrophobicContact CE1-CG 4.16Å; F131-L133 PolarHBondContact O-N 3.38Å; F131-L133 VanDerWaalsContact O-N 3.1Å
132C35.6Very low38.7Very low88 Ų88114.6 Ų114.660%0.59560%0.599SS**  trans-78.784165.9-163.90000106.9S130 S134S130-C132 PolarHBondContact O-N 3.43Å; C132-S134 PolarHBondContact O-N 2.99Å; C132-S134 PolarHBondContact SG-OG 2.85Å
133L35.7Very low39Very low72 Ų72109.9 Ų109.938%0.37758%0.583SS.*  trans-63.283.9165.3-75.6168.9000107.5P106 F131 H135P106-L133 HydrophobicContact CG-CB 4.23Å; F131-L133 VanDerWaalsContact C-N 3.27Å; F131-L133 HydrophobicContact CD1-CD2 3.75Å; F131-L133 HydrophobicContact CD1-CG 3.73Å; F131-L133 HydrophobicContact CE1-CD2 3.64Å; F131-L133 HydrophobicContact CE1-CG 4.16Å; F131-L133 PolarHBondContact O-N 3.38Å; F131-L133 VanDerWaalsContact O-N 3.1Å; L133-H135 PolarHBondContact O-N 3.38Å
134S34.6Very low39.5Very low94 Ų94103.9 Ų103.966%0.65756%0.56SS**  trans-80.3110.1164.1-49.50000105.2C132C132-S134 PolarHBondContact O-N 2.99Å; C132-S134 PolarHBondContact SG-OG 2.85Å
135H38.3Very low40Very low254 Ų254107.2 Ų107.2100%1.17657%0.568SS**  trans-63.60160.7-70.3-13.5000110.3L133L133-H135 PolarHBondContact O-N 3.38Å

Retrieved 135 of 135 residues in 861.8 ms (Link to these results)

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