A0A3Q0KM77_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KM77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,269 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
1M57.9Low88.3Confident55 Ų5533.3 Ų33.327%0.27117%0.17SC..  0159.10-58.813816000108.5D61 D62 V130 F131 D133 L142M1-D61 CarbonylContact O-C 3.53Å; M1-D61 WeakPolarHBondContact O-CA 3.46Å; M1-D62 WeakPolarHBondContact CA-OD1 3.49Å; M1-D62 VanDerWaalsContact CB-OD1 3.29Å; M1-D62 WeakPolarHBondContact CB-OD1 3.44Å; M1-D62 PolarHBondContact N-OD1 2.94Å; M1-D62 PolarHBondContact N-OD2 2.79Å; M1-D62 PolarHBondContact O-N 3.38Å; M1-D62 VanDerWaalsContact O-OD1 3.1Å; M1-V130 HydrophobicContact SD-CG1 4.41Å; M1-F131 WeakPolarHBondContact CE-O 3.18Å; M1-D133 HydrophobicContact CE-CB 4.11Å; M1-L142 HydrophobicContact SD-CD1 4.45Å
2P69.3Low89.1Confident82 Ų8230.7 Ų30.753%0.53216%0.157SC..EExtended strand (participates in β ladder)trans-77.5133.3150.631.8-29.2000109.3L60 F131P2-L60 CarbonylContact C-O 3.44Å; P2-L60 WeakPolarHBondContact CA-O 3.44Å; P2-F131 WeakPolarHBondContact O-CD2 3.42Å
3G81.6Confident89.7Confident0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-108.8141.3164.200000109.8L60G3-L60 PolarHBondContact N-O 3.49Å; G3-L60 PolarHBondContact O-N 3.28Å
4T90Very high90.1Very high18 Ų1840.8 Ų40.811%0.1120%0.202CC..EExtended strand (participates in β ladder)trans-103.1114.8177.8-44.40000110.4K6 C57 F58 D129T4-K6 HydrophobicContact CG2-CG 4.14Å; T4-C57 HydrophobicContact CG2-CB 4.22Å; T4-F58 CarbonylContact C-O 3.55Å; T4-F58 VanDerWaalsContact CA-O 3.31Å; T4-F58 WeakPolarHBondContact CA-O 3.29Å; T4-D129 PolarHBondContact N-O 2.89Å; T4-D129 PolarHBondContact O-N 2.95Å
5V93.3Very high90.5Very high0 Ų038.5 Ų38.50%019%0.191CC..EExtended strand (participates in β ladder)trans-92.9120.5172.1-176.40000108.3V7 I33 F58 L60 L65 L93 I126 V128V5-V7 HydrophobicContact CG1-CG2 4.15Å; V5-I33 HydrophobicContact CB-CD1 4.03Å; V5-I33 HydrophobicContact CG1-CD1 3.98Å; V5-I33 HydrophobicContact CG2-CD1 4.31Å; V5-F58 HydrophobicContact CB-CB 4.29Å; V5-F58 PolarHBondContact N-O 2.8Å; V5-F58 PolarHBondContact O-N 3.01Å; V5-L60 HydrophobicContact CG2-CD1 3.73Å; V5-L65 HydrophobicContact CG2-CD1 3.59Å; V5-L93 HydrophobicContact CG1-CD1 4.49Å; V5-L93 HydrophobicContact CG1-CD2 4.35Å; V5-L93 HydrophobicContact CG2-CD1 3.85Å; V5-I126 HydrophobicContact CG1-CG2 4.4Å; V5-V128 HydrophobicContact CG1-CG2 4.47Å; V5-V128 HydrophobicContact CG2-CG1 4.38Å; V5-V128 HydrophobicContact CG2-CG2 4.35Å
6K94.8Very high90.8Very high60 Ų6037.4 Ų37.426%0.26119%0.187SC..EExtended strand (participates in β ladder)trans-109.2125.6-179.7-61.7-178.8176.7156.10109T4 W55 F56 I126 R127 D129T4-K6 HydrophobicContact CG2-CG 4.14Å; K6-W55 HydrophobicContact CB-CD2 4.34Å; K6-W55 HydrophobicContact CB-CE3 3.62Å; K6-W55 HydrophobicContact CB-CZ3 4.13Å; K6-W55 WeakPolarHBondContact O-CZ3 3.46Å; K6-F56 CarbonylContact C-O 3.54Å; K6-F56 VanDerWaalsContact CA-O 3.3Å; K6-F56 WeakPolarHBondContact CA-O 3.29Å; K6-I126 CarbonylContact O-C 3.56Å; K6-I126 WeakPolarHBondContact O-CA 3.18Å; K6-R127 HydrophobicContact CB-CB 4.42Å; K6-R127 PolarHBondContact N-O 3.34Å; K6-R127 PolarHBondContact O-N 2.84Å; K6-D129 WeakPolarHBondContact CE-OD2 3.21Å; K6-D129 IonicContact NZ-OD2 3.16Å; K6-D129 PolarHBondContact NZ-OD2 2.79Å
7V96.7Very high90.9Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-125.5134.9-179.4-169.20000110.2V5 L31 F56 F58 L70 L72 I126V5-V7 HydrophobicContact CG1-CG2 4.15Å; V7-L31 HydrophobicContact CB-CD2 3.74Å; V7-L31 HydrophobicContact CG1-CD2 3.42Å; V7-L31 VanDerWaalsContact CG1-CD2 3.42Å; V7-L31 HydrophobicContact CG2-CD2 4.43Å; V7-F56 PolarHBondContact N-O 3.04Å; V7-F56 PolarHBondContact O-N 3.24Å; V7-F58 HydrophobicContact CG2-CD2 4.32Å; V7-F58 HydrophobicContact CG2-CE2 4Å; V7-L70 HydrophobicContact CG2-CD1 4.23Å; V7-L70 HydrophobicContact CG2-CD2 3.55Å; V7-L72 HydrophobicContact CG1-CD2 4.4Å; V7-I126 HydrophobicContact CB-CG1 4.47Å; V7-I126 HydrophobicContact CG1-CG1 3.84Å; V7-I126 HydrophobicContact CG2-CG1 4.24Å
8R96.6Very high90.9Very high90 Ų9039.4 Ų39.434%0.3420%0.202SC..EExtended strand (participates in β ladder)trans-123.8121.2175.1-164.7-178-175.8-165.9-1.9110N52 S53 W55 A125R8-N52 PolarHBondContact NH2-O 2.92Å; R8-S53 WeakPolarHBondContact CG-O 3.38Å; R8-S53 PolarHBondContact NE-O 3.46Å; R8-W55 HydrophobicContact CB-CD2 4.01Å; R8-W55 HydrophobicContact CB-CE3 3.78Å; R8-W55 HydrophobicContact CB-CH2 4.25Å; R8-W55 HydrophobicContact CB-CZ2 4.44Å; R8-W55 HydrophobicContact CB-CZ3 3.91Å; R8-A125 HydrophobicContact CB-CB 4.35Å; R8-A125 PolarHBondContact N-O 2.82Å; R8-A125 PolarHBondContact O-N 3.02Å
9V97.3Very high90.8Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-91.8116.7174.4-173.10000109.2V29 L31 T40 W51 N52 S53 F56 L72 I122 L124V9-V29 HydrophobicContact CG1-CB 4.44Å; V9-V29 HydrophobicContact CG1-CG2 4.08Å; V9-V29 HydrophobicContact CG2-CG1 4.34Å; V9-L31 HydrophobicContact CG2-CD1 4.12Å; V9-L31 HydrophobicContact CG2-CD2 3.92Å; V9-L31 HydrophobicContact CG2-CG 4.39Å; V9-T40 HydrophobicContact CB-CG2 4.03Å; V9-T40 HydrophobicContact CG1-CG2 4.31Å; V9-T40 HydrophobicContact CG2-CG2 3.98Å; V9-W51 HydrophobicContact CG1-CD2 4.15Å; V9-W51 HydrophobicContact CG1-CE3 3.56Å; V9-W51 HydrophobicContact CG1-CZ3 4.01Å; V9-N52 PolarHBondContact O-N 2.93Å; V9-S53 WeakPolarHBondContact CA-OG 3.41Å; V9-S53 WeakPolarHBondContact CB-OG 3.4Å; V9-S53 PolarHBondContact N-OG 3.08Å; V9-S53 PolarHBondContact O-N 2.84Å; V9-S53 PolarHBondContact O-OG 2.99Å; V9-F56 HydrophobicContact CG2-CE2 4.42Å; V9-L72 HydrophobicContact CG2-CD2 4.17Å; V9-I122 HydrophobicContact CG1-CD1 4.12Å; V9-L124 HydrophobicContact CB-CD2 4.2Å; V9-L124 HydrophobicContact CG1-CD2 4.08Å; V9-L124 HydrophobicContact CG2-CD2 3.97Å
10I97Very high90.5Very high38 Ų3849.7 Ų49.720%0.19524%0.239CC..EExtended strand (participates in β ladder)trans-93.9-63.7-173.5-58.7168.7000109.7W51 N52 C123 A125I10-W51 PolarHBondContact O-N 2.87Å; I10-N52 PolarHBondContact O-N 3.27Å; I10-C123 HydrophobicContact CB-CB 4.23Å; I10-C123 WeakPolarHBondContact CB-O 3.42Å; I10-C123 PolarHBondContact N-O 3.28Å; I10-A125 HydrophobicContact CD1-CB 4.38Å
11S97.4Very high90.4Very high23 Ų2351.4 Ų51.416%0.16126%0.261CS..EExtended strand (participates in β ladder)trans-161.1167.9-177.653.90000111.1P49 W108 C123S11-P49 CarbonylContact C-O 3.48Å; S11-P49 WeakPolarHBondContact CA-O 3.19Å; S11-P49 VanDerWaalsContact CB-O 3.24Å; S11-P49 WeakPolarHBondContact CB-O 3.42Å; S11-W108 WeakPolarHBondContact OG-CH2 3.31Å; S11-C123 PolarHBondContact O-N 3.16Å
12A97.4Very high91.8Very high2 Ų250.8 Ų50.82%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-125.7163163.800000110L15 N48 P49 W51 E121 I122A12-L15 HydrophobicContact CB-CD1 4.25Å; A12-L15 HydrophobicContact CB-CD2 4.08Å; A12-L15 HydrophobicContact CB-CG 4.23Å; A12-N48 CarbonylContact O-C 3.6Å; A12-N48 VanDerWaalsContact O-C 3.31Å; A12-N48 WeakPolarHBondContact O-CA 3.41Å; A12-P49 HydrophobicContact CB-CG 3.92Å; A12-P49 PolarHBondContact N-O 3.29Å; A12-W51 HydrophobicContact CB-CH2 3.94Å; A12-W51 HydrophobicContact CB-CZ3 3.79Å; A12-E121 CarbonylContact C-O 3.59Å; A12-E121 WeakPolarHBondContact CA-O 3.35Å; A12-E121 WeakPolarHBondContact CB-O 3.49Å; A12-I122 HydrophobicContact CB-CB 4.39Å; A12-I122 HydrophobicContact CB-CG1 4.35Å
13R96.3Very high92.7Very high92 Ų9254 Ų5435%0.34727%0.267SS..EExtended strand (participates in β ladder)trans-143.8156178.372.3-175.2178.3178.40.7112.3L15 N48 W108 G120 E121R13-L15 PolarHBondContact O-N 2.99Å; R13-N48 WeakPolarHBondContact CA-OD1 3.17Å; R13-N48 WeakPolarHBondContact CB-OD1 3.31Å; R13-W108 HydrophobicContact CB-CH2 4.06Å; R13-W108 HydrophobicContact CB-CZ3 3.88Å; R13-W108 HydrophobicContact CG-CE3 3.88Å; R13-W108 HydrophobicContact CG-CH2 3.9Å; R13-W108 HydrophobicContact CG-CZ3 3.43Å; R13-W108 VanDerWaalsContact CG-CZ3 3.43Å; R13-G120 WeakPolarHBondContact O-CA 3.44Å; R13-E121 HydrophobicContact CG-CB 4.21Å; R13-E121 IonicContact CZ-OE2 3.63Å; R13-E121 PolarHBondContact N-O 2.64Å; R13-E121 IonicContact NE-OE2 3.77Å; R13-E121 PolarHBondContact NE-OE2 3.36Å; R13-E121 IonicContact NH2-OE2 2.64Å; R13-E121 PolarHBondContact NH2-OE2 2.91Å; R13-E121 PolarHBondContact O-N 2.87Å
14N95.5Very high93.3Very high111 Ų11156.7 Ų56.759%0.59428%0.281SS*.SBendtrans53.635.7178.9-58.2-31.9000113.2L47 N48 G120N14-L47 PolarHBondContact N-O 3.38Å; N14-N48 PolarHBondContact N-OD1 2.89Å; N14-G120 VanDerWaalsContact O-CA 3.23Å; N14-G120 WeakPolarHBondContact O-CA 3.26Å
15L96.4Very high93.3Very high6 Ų655.8 Ų55.83%0.03128%0.275CS..PPolyproline II helixtrans-62.8148.7173.6-63.7-175.7000110.3A12 R13 A27 L47 P49 V74 I111A12-L15 HydrophobicContact CB-CD1 4.25Å; A12-L15 HydrophobicContact CB-CD2 4.08Å; A12-L15 HydrophobicContact CB-CG 4.23Å; R13-L15 PolarHBondContact O-N 2.99Å; L15-A27 HydrophobicContact CD1-CB 3.79Å; L15-L47 PolarHBondContact N-O 3.47Å; L15-P49 HydrophobicContact CD1-CG 3.72Å; L15-V74 HydrophobicContact CD2-CG1 4.45Å; L15-I111 HydrophobicContact CD2-CD1 3.39Å
16P94.9Very high93.4Very high21 Ų2157.1 Ų57.114%0.13628%0.283CS..PPolyproline II helixtrans-67.1152.7171.832.6-38.9000110.6M18 T25 I86 R119P16-M18 HydrophobicContact CG-SD 4.03Å; P16-M18 PolarHBondContact O-N 3.23Å; P16-T25 PolarHBondContact O-OG1 3.17Å; P16-I86 HydrophobicContact CG-CG2 3.62Å; P16-R119 VanDerWaalsContact CB-CZ 3.41Å; P16-R119 WeakPolarHBondContact CD-O 3.22Å; P16-R119 HydrophobicContact CG-CB 4.4Å
17V93.3Very high93.4Very high71 Ų7154.3 Ų54.343%0.4327%0.27SS..PPolyproline II helixtrans-65.6125.1164.8175.50000108.4D19 F23 L47V17-D19 WeakPolarHBondContact CG1-O 3.37Å; V17-F23 WeakPolarHBondContact CG2-O 3.45Å; V17-L47 HydrophobicContact CG2-CD1 4.19Å; V17-L47 HydrophobicContact CG2-CD2 4.37Å
18M90.8Very high93.4Very high41 Ų4154.6 Ų54.620%0.20227%0.272CS..  trans-109.1-48.1176.5-62.7-62.2-64.400110.7P16 R20 L24 T25 D76 D84 I86P16-M18 HydrophobicContact CG-SD 4.03Å; P16-M18 PolarHBondContact O-N 3.23Å; M18-R20 PolarHBondContact O-N 2.79Å; M18-L24 PolarHBondContact N-O 3.45Å; M18-T25 HydrophobicContact CB-CG2 4.18Å; M18-T25 HydrophobicContact CG-CG2 3.84Å; M18-T25 PolarHBondContact N-OG1 3.32Å; M18-D76 HydrophobicContact CB-CB 4.09Å; M18-D76 WeakPolarHBondContact CB-OD2 3.42Å; M18-D76 HydrophobicContact CG-CB 4.15Å; M18-D84 HydrophobicContact CE-CB 3.74Å; M18-I86 HydrophobicContact CE-CG1 4.33Å; M18-I86 HydrophobicContact CG-CD1 4.01Å; M18-I86 HydrophobicContact CG-CG1 3.98Å; M18-I86 HydrophobicContact SD-CG1 4.16Å
19D88Confident93.5Very high57 Ų5750.3 Ų50.331%0.30526%0.255SS..BIsolated β-bridgetrans-81.3119172.7174.926.9000111.8V17 A21 T22 F23 L24V17-D19 WeakPolarHBondContact CG1-O 3.37Å; D19-A21 VanDerWaalsContact C-N 3.33Å; D19-A21 PolarHBondContact O-N 3.35Å; D19-A21 WeakPolarHBondContact OD1-CB 3.28Å; D19-A21 PolarHBondContact OD1-N 2.86Å; D19-T22 VanDerWaalsContact OD2-CB 3.23Å; D19-T22 WeakPolarHBondContact OD2-CB 3.29Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T22 PolarHBondContact OD2-N 2.76Å; D19-T22 PolarHBondContact OD2-OG1 3.49Å; D19-F23 WeakPolarHBondContact O-CA 3.09Å; D19-F23 PolarHBondContact O-N 3.32Å; D19-L24 PolarHBondContact N-O 2.97Å
20R86.3Confident93.5Very high227 Ų22751.7 Ų51.786%0.85726%0.262SS*.THydrogen-bonded Turntrans-73.1-20.6177.2-61.9-178.1-175.61733113.7M18M18-R20 PolarHBondContact O-N 2.79Å
21A87.1Confident93.4Very high85 Ų8549.9 Ų49.970%0.70225%0.252SS*.THydrogen-bonded Turntrans-81.1-44.3-179.300000111.7D19D19-A21 VanDerWaalsContact C-N 3.33Å; D19-A21 PolarHBondContact O-N 3.35Å; D19-A21 WeakPolarHBondContact OD1-CB 3.28Å; D19-A21 PolarHBondContact OD1-N 2.86Å
22T87Confident93.3Very high42 Ų4249.4 Ų49.426%0.25825%0.249SC..THydrogen-bonded Turntrans-90.1-13.1177.759.40000114.4D19 L24D19-T22 VanDerWaalsContact OD2-CB 3.23Å; D19-T22 WeakPolarHBondContact OD2-CB 3.29Å; D19-T22 WeakPolarHBondContact OD2-CG2 3.36Å; D19-T22 PolarHBondContact OD2-N 2.76Å; D19-T22 PolarHBondContact OD2-OG1 3.49Å; T22-L24 WeakPolarHBondContact O-CG 3.5Å; T22-L24 PolarHBondContact O-N 2.74Å; T22-L24 PolarHBondContact OG1-N 2.81Å
23F90.1Very high93.1Very high151 Ų15149.4 Ų49.466%0.66225%0.249SC*.THydrogen-bonded Turntrans56.528.7-168.3-60.1-87.5000113.2V17 D19V17-F23 WeakPolarHBondContact CG2-O 3.45Å; D19-F23 WeakPolarHBondContact O-CA 3.09Å; D19-F23 PolarHBondContact O-N 3.32Å
24L92.2Very high92.6Very high55 Ų5547 Ų4729%0.28825%0.253SS..BIsolated β-bridgetrans-137.6-165.9-175.8-64.9168.3000109.4M18 D19 T22 R45 L47M18-L24 PolarHBondContact N-O 3.45Å; D19-L24 PolarHBondContact N-O 2.97Å; T22-L24 WeakPolarHBondContact O-CG 3.5Å; T22-L24 PolarHBondContact O-N 2.74Å; T22-L24 PolarHBondContact OG1-N 2.81Å; L24-R45 HydrophobicContact CB-CB 4.31Å; L24-R45 HydrophobicContact CD1-CB 3.82Å; L24-L47 HydrophobicContact CD2-CD2 4.49Å; L24-L47 HydrophobicContact CD2-CG 4Å
25T91.9Very high92.2Very high0 Ų047.3 Ų47.30%026%0.264CS..  trans-148.4137.5-171.1-56.50000108.6P16 M18 A27 R45 S46 L47 D76 I86P16-T25 PolarHBondContact O-OG1 3.17Å; M18-T25 HydrophobicContact CB-CG2 4.18Å; M18-T25 HydrophobicContact CG-CG2 3.84Å; M18-T25 PolarHBondContact N-OG1 3.32Å; T25-A27 HydrophobicContact CG2-CB 4.22Å; T25-R45 WeakPolarHBondContact O-CA 3.21Å; T25-R45 PolarHBondContact O-N 2.72Å; T25-R45 VanDerWaalsContact O-N 3.14Å; T25-S46 PolarHBondContact O-N 2.89Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.32Å; T25-D76 HydrophobicContact CG2-CB 4.37Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.31Å; T25-I86 HydrophobicContact CG2-CD1 3.43Å; T25-I86 VanDerWaalsContact CG2-CD1 3.43Å
26D94.2Very high92Very high28 Ų2849.6 Ų49.615%0.1528%0.275CS..  trans-101.770.1178.4-83.816.7000109.2V42 V43 R44 R45 D76 H77D26-V42 HydrophobicContact CB-CG1 4.26Å; D26-V43 CarbonylContact C-O 3.58Å; D26-R44 HydrophobicContact CB-CG 4.38Å; D26-R44 VanDerWaalsContact OD1-CA 3.23Å; D26-R44 WeakPolarHBondContact OD1-CA 3.28Å; D26-R44 WeakPolarHBondContact OD1-CB 3.48Å; D26-R44 WeakPolarHBondContact OD2-CD 3.34Å; D26-R44 WeakPolarHBondContact OD2-CG 3.11Å; D26-R44 IonicContact OD2-NE 2.8Å; D26-R44 PolarHBondContact OD2-NE 2.97Å; D26-R45 PolarHBondContact OD1-N 2.75Å; D26-D76 WeakPolarHBondContact CA-OD1 3.35Å; D26-D76 PolarHBondContact N-OD1 3.49Å; D26-H77 HydrophobicContact CB-CB 4.26Å; D26-H77 VanDerWaalsContact O-CB 3.32Å; D26-H77 WeakPolarHBondContact O-CB 3.26Å; D26-H77 PolarHBondContact O-N 2.7Å
27A96Very high92Very high0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-77.8139.1-165.400000114.5L15 T25 V43 P49 W51 M75L15-A27 HydrophobicContact CD1-CB 3.79Å; T25-A27 HydrophobicContact CG2-CB 4.22Å; A27-V43 PolarHBondContact N-O 2.76Å; A27-V43 PolarHBondContact O-N 2.77Å; A27-P49 HydrophobicContact CB-CB 4.39Å; A27-P49 HydrophobicContact CB-CG 3.98Å; A27-W51 HydrophobicContact CB-CH2 4.46Å; A27-W51 HydrophobicContact CB-CZ2 4.01Å; A27-M75 WeakPolarHBondContact CA-O 3.37Å
28F96.8Very high92.2Very high7 Ų752.9 Ų52.93%0.03129%0.286CS..EExtended strand (participates in β ladder)trans-138.8167.6162.872.6-77.8000111.2E30 K39 V42 M75 H77 H83F28-E30 HydrophobicContact CD2-CG 4.17Å; F28-E30 HydrophobicContact CE2-CG 3.6Å; F28-K39 HydrophobicContact CE2-CD 4.25Å; F28-V42 HydrophobicContact CB-CG2 4.03Å; F28-V42 HydrophobicContact CD1-CG2 4.25Å; F28-V42 HydrophobicContact CG-CG2 4.27Å; F28-M75 HydrophobicContact CD1-CB 3.78Å; F28-M75 HydrophobicContact CD2-CB 4.29Å; F28-M75 HydrophobicContact CE1-CB 3.31Å; F28-M75 HydrophobicContact CE1-CG 4.31Å; F28-M75 HydrophobicContact CE2-CB 3.87Å; F28-M75 HydrophobicContact CE2-CG 4.07Å; F28-M75 HydrophobicContact CG-CB 4.26Å; F28-M75 HydrophobicContact CZ-CB 3.36Å; F28-M75 HydrophobicContact CZ-CG 3.86Å; F28-M75 PolarHBondContact N-O 3.01Å; F28-M75 PolarHBondContact O-N 2.79Å; F28-H77 HydrophobicContact CD1-CB 3.82Å; F28-H77 HydrophobicContact CE1-CB 3.93Å; F28-H83 HydrophobicContact CE1-CB 4.22Å; F28-H83 AromaticContact CE1-CD2 3.95Å; F28-H83 HydrophobicContact CZ-CB 4.25Å; F28-H83 AromaticContact CZ-CD2 3.59Å
29V97.5Very high92.4Very high0 Ų056.5 Ų56.50%030%0.3CS..EExtended strand (participates in β ladder)trans-123.7128.5-177.5-174.30000110.3V9 L31 K39 T40 W51 L72 K73 V74 I122V9-V29 HydrophobicContact CG1-CB 4.44Å; V9-V29 HydrophobicContact CG1-CG2 4.08Å; V9-V29 HydrophobicContact CG2-CG1 4.34Å; V29-L31 HydrophobicContact CG1-CD1 4.4Å; V29-L31 HydrophobicContact CG1-CG 4.47Å; V29-K39 CarbonylContact O-C 3.56Å; V29-K39 WeakPolarHBondContact O-CA 3.26Å; V29-T40 HydrophobicContact CB-CG2 3.94Å; V29-T40 PolarHBondContact N-OG1 3.3Å; V29-T40 PolarHBondContact O-N 2.97Å; V29-W51 HydrophobicContact CG2-CE3 4.49Å; V29-W51 HydrophobicContact CG2-CH2 3.59Å; V29-W51 HydrophobicContact CG2-CZ2 3.76Å; V29-W51 HydrophobicContact CG2-CZ3 3.98Å; V29-L72 HydrophobicContact CG1-CB 4.25Å; V29-L72 HydrophobicContact CG1-CD2 3.95Å; V29-K73 CarbonylContact C-O 3.53Å; V29-K73 VanDerWaalsContact CA-O 3.27Å; V29-K73 WeakPolarHBondContact CA-O 3.39Å; V29-K73 WeakPolarHBondContact CG1-O 3.48Å; V29-V74 HydrophobicContact CG2-CG2 4.34Å; V29-I122 HydrophobicContact CG1-CD1 4.22Å; V29-I122 HydrophobicContact CG2-CD1 3.88Å
30E96.6Very high92.9Very high28 Ų2854.5 Ų54.513%0.13129%0.29CS..EExtended strand (participates in β ladder)trans-98.7135.3167.7-49.7-171.6143.900109.1F28 Y38 K39 L72 K73 M75F28-E30 HydrophobicContact CD2-CG 4.17Å; F28-E30 HydrophobicContact CE2-CG 3.6Å; E30-Y38 CarbonylContact C-O 3.55Å; E30-Y38 WeakPolarHBondContact CA-O 3.14Å; E30-K39 HydrophobicContact CG-CD 4.15Å; E30-K39 HydrophobicContact CG-CG 4.15Å; E30-K39 WeakPolarHBondContact OE1-CE 3.44Å; E30-K39 IonicContact OE1-NZ 2.81Å; E30-K39 PolarHBondContact OE1-NZ 3.31Å; E30-L72 CarbonylContact O-C 3.58Å; E30-L72 WeakPolarHBondContact O-CA 3.29Å; E30-K73 HydrophobicContact CB-CB 4.29Å; E30-K73 PolarHBondContact N-O 2.91Å; E30-K73 PolarHBondContact O-N 3.33Å; E30-M75 HydrophobicContact CG-CG 4.06Å
31L96.9Very high93.3Very high0 Ų051.7 Ų51.70%029%0.287CS..EExtended strand (participates in β ladder)trans-117.4120.9178.7-56.992.7000108.7V7 V9 V29 T37 Y38 T40 F56 F58 L72V7-L31 HydrophobicContact CB-CD2 3.74Å; V7-L31 HydrophobicContact CG1-CD2 3.42Å; V7-L31 VanDerWaalsContact CG1-CD2 3.42Å; V7-L31 HydrophobicContact CG2-CD2 4.43Å; V9-L31 HydrophobicContact CG2-CD1 4.12Å; V9-L31 HydrophobicContact CG2-CD2 3.92Å; V9-L31 HydrophobicContact CG2-CG 4.39Å; V29-L31 HydrophobicContact CG1-CD1 4.4Å; V29-L31 HydrophobicContact CG1-CG 4.47Å; L31-T37 CarbonylContact O-C 3.59Å; L31-T37 VanDerWaalsContact O-CA 3.26Å; L31-T37 WeakPolarHBondContact O-CA 3.13Å; L31-Y38 PolarHBondContact N-O 3.02Å; L31-Y38 PolarHBondContact O-N 3.14Å; L31-T40 HydrophobicContact CD1-CG2 4.35Å; L31-F56 HydrophobicContact CD1-CD2 4.02Å; L31-F56 HydrophobicContact CD1-CE2 4Å; L31-F56 HydrophobicContact CD1-CG 4.48Å; L31-F56 HydrophobicContact CD1-CZ 4.45Å; L31-F56 HydrophobicContact CD2-CD2 4.07Å; L31-F58 HydrophobicContact CB-CE2 4.36Å; L31-F58 HydrophobicContact CB-CZ 3.83Å; L31-L72 HydrophobicContact CD2-CD2 3.7Å; L31-L72 HydrophobicContact CD2-CG 4.16Å; L31-L72 HydrophobicContact CG-CD2 3.87Å; L31-L72 HydrophobicContact CG-CG 4.06Å
32C94.6Very high93.7Very high13 Ų1349.9 Ų49.99%0.08827%0.267CS..EExtended strand (participates in β ladder)trans-124.4135.6-176.5-52.90000111.3I36 L71C32-I36 WeakPolarHBondContact CA-O 3.3Å; C32-L71 HydrophobicContact CB-CB 4.42Å; C32-L71 PolarHBondContact N-O 3.31Å; C32-L71 PolarHBondContact O-N 3.23Å
33I93.2Very high94.1Very high2 Ų249.6 Ų49.61%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-134.2118.6161-45.9-177.8000107.8V5 S35 I36 F58 L60 E68 L70V5-I33 HydrophobicContact CB-CD1 4.03Å; V5-I33 HydrophobicContact CG1-CD1 3.98Å; V5-I33 HydrophobicContact CG2-CD1 4.31Å; I33-S35 PolarHBondContact O-N 3.26Å; I33-S35 VanDerWaalsContact O-N 3.08Å; I33-I36 PolarHBondContact N-O 3.03Å; I33-I36 PolarHBondContact O-N 3.38Å; I33-F58 HydrophobicContact CB-CD1 4.09Å; I33-F58 HydrophobicContact CB-CE1 4.29Å; I33-F58 HydrophobicContact CD1-CB 3.89Å; I33-F58 HydrophobicContact CD1-CD1 3.91Å; I33-F58 HydrophobicContact CD1-CD2 3.68Å; I33-F58 HydrophobicContact CD1-CE1 4.32Å; I33-F58 HydrophobicContact CD1-CE2 4.11Å; I33-F58 HydrophobicContact CD1-CG 3.57Å; I33-F58 HydrophobicContact CD1-CZ 4.4Å; I33-F58 HydrophobicContact CG1-CD1 3.81Å; I33-F58 HydrophobicContact CG1-CD2 4.23Å; I33-F58 HydrophobicContact CG1-CE1 3.85Å; I33-F58 HydrophobicContact CG1-CE2 4.26Å; I33-F58 HydrophobicContact CG1-CG 4.01Å; I33-F58 HydrophobicContact CG1-CZ 4.06Å; I33-L60 HydrophobicContact CB-CD1 4.48Å; I33-L60 HydrophobicContact CB-CD2 4.35Å; I33-L60 HydrophobicContact CD1-CD1 3.98Å; I33-L60 HydrophobicContact CG2-CD1 3.77Å; I33-L60 HydrophobicContact CG2-CD2 4.03Å; I33-E68 HydrophobicContact CG2-CB 3.92Å; I33-L70 HydrophobicContact CD1-CB 4.08Å; I33-L70 HydrophobicContact CD1-CD1 4.01Å; I33-L70 HydrophobicContact CG1-CB 4.02Å; I33-L70 HydrophobicContact CG1-CD1 3.68Å; I33-L70 HydrophobicContact CG1-CG 4.43Å
34G86.2Confident94.3Very high42 Ų4249.2 Ų49.243%0.43326%0.259SS..THydrogen-bonded Turntrans53.8-113.5-172.300000112.1
35S86.2Confident94.3Very high118 Ų11854.5 Ų54.583%0.82528%0.275SS*.THydrogen-bonded Turntrans-92.8-16.1177.655.70000114.9I33I33-S35 PolarHBondContact O-N 3.26Å; I33-S35 VanDerWaalsContact O-N 3.08Å
36I92.7Very high94.4Very high53 Ų5356 Ų5627%0.27229%0.285SS..EExtended strand (participates in β ladder)trans-83.2131.3-175.7-54.1174.8000108.6C32 I33 Y38 F58 L60C32-I36 WeakPolarHBondContact CA-O 3.3Å; I33-I36 PolarHBondContact N-O 3.03Å; I33-I36 PolarHBondContact O-N 3.38Å; I36-Y38 HydrophobicContact CG2-CE2 3.94Å; I36-F58 HydrophobicContact CB-CD1 3.84Å; I36-F58 HydrophobicContact CB-CE1 4.15Å; I36-F58 HydrophobicContact CG2-CD1 3.55Å; I36-F58 HydrophobicContact CG2-CE1 3.82Å; I36-L60 HydrophobicContact CD1-CD2 4.24Å
37T94.6Very high94.5Very high69 Ų6956.7 Ų56.742%0.42329%0.289SS..EExtended strand (participates in β ladder)trans-135.2131179.7-57.70000111.5L31L31-T37 CarbonylContact O-C 3.59Å; L31-T37 VanDerWaalsContact O-CA 3.26Å; L31-T37 WeakPolarHBondContact O-CA 3.13Å
38Y96.9Very high94.5Very high92 Ų9261 Ų6136%0.36131%0.312SS..EExtended strand (participates in β ladder)trans-116.5161.6169.1-66.8-66.8000110.8E30 L31 I36 F56 C57 F58E30-Y38 CarbonylContact C-O 3.55Å; E30-Y38 WeakPolarHBondContact CA-O 3.14Å; L31-Y38 PolarHBondContact N-O 3.02Å; L31-Y38 PolarHBondContact O-N 3.14Å; I36-Y38 HydrophobicContact CG2-CE2 3.94Å; Y38-F56 HydrophobicContact CD1-CD1 4.21Å; Y38-F56 HydrophobicContact CD2-CB 4.04Å; Y38-F56 HydrophobicContact CD2-CD1 4.31Å; Y38-F56 HydrophobicContact CG-CB 4.36Å; Y38-F56 AromaticContact CG-CD1 3.78Å; Y38-F56 HydrophobicContact CG-CD1 3.78Å; Y38-F56 HydrophobicContact CG-CG 4.41Å; Y38-C57 PolarHBondContact OH-O 2.73Å; Y38-F58 HydrophobicContact CD2-CD1 4.16Å; Y38-F58 HydrophobicContact CD2-CD2 4.47Å; Y38-F58 AromaticContact CD2-CE1 3.65Å; Y38-F58 HydrophobicContact CD2-CE1 3.65Å; Y38-F58 HydrophobicContact CD2-CE2 4Å; Y38-F58 AromaticContact CD2-CZ 3.57Å; Y38-F58 HydrophobicContact CD2-CZ 3.57Å; Y38-F58 AromaticContact CE2-CD1 3.97Å; Y38-F58 HydrophobicContact CE2-CD1 3.97Å; Y38-F58 HydrophobicContact CE2-CD2 4.47Å; Y38-F58 AromaticContact CE2-CE1 3.94Å; Y38-F58 HydrophobicContact CE2-CE1 3.94Å; Y38-F58 HydrophobicContact CE2-CE2 4.44Å; Y38-F58 HydrophobicContact CE2-CG 4.25Å; Y38-F58 HydrophobicContact CE2-CZ 4.19Å
39K96.2Very high94.5Very high117 Ų11760.7 Ų60.751%0.50931%0.311SS..EExtended strand (participates in β ladder)trans-135.7145.8176.9-52.4-165.9-174.1-158.70110.8F28 V29 E30F28-K39 HydrophobicContact CE2-CD 4.25Å; V29-K39 CarbonylContact O-C 3.56Å; V29-K39 WeakPolarHBondContact O-CA 3.26Å; E30-K39 HydrophobicContact CG-CD 4.15Å; E30-K39 HydrophobicContact CG-CG 4.15Å; E30-K39 WeakPolarHBondContact OE1-CE 3.44Å; E30-K39 IonicContact OE1-NZ 2.81Å; E30-K39 PolarHBondContact OE1-NZ 3.31Å
40T97.3Very high94.4Very high15 Ų1564.1 Ų64.19%0.09234%0.335CS..PPolyproline II helixtrans-81.5169.6168.367.70000111.3V9 V29 L31 W51 F56V9-T40 HydrophobicContact CB-CG2 4.03Å; V9-T40 HydrophobicContact CG1-CG2 4.31Å; V9-T40 HydrophobicContact CG2-CG2 3.98Å; V29-T40 HydrophobicContact CB-CG2 3.94Å; V29-T40 PolarHBondContact N-OG1 3.3Å; V29-T40 PolarHBondContact O-N 2.97Å; L31-T40 HydrophobicContact CD1-CG2 4.35Å; T40-W51 PolarHBondContact OG1-NE1 3.1Å; T40-F56 HydrophobicContact CG2-CE2 4.06Å; T40-F56 HydrophobicContact CG2-CZ 4.11Å
41E95.8Very high94.4Very high169 Ų16964.3 Ų64.379%0.7933%0.334SS*.PPolyproline II helixtrans-62.4159.6163-60.5-176174.900111.9W51E41-W51 VanDerWaalsContact O-CD1 3.22Å; E41-W51 PolarHBondContact O-NE1 2.85Å
42V95.8Very high94.3Very high46 Ų4668.8 Ų68.828%0.27936%0.358SS..PPolyproline II helixtrans-89.1116.8177.1-179.30000109.7D26 F28 R44 H77D26-V42 HydrophobicContact CB-CG1 4.26Å; F28-V42 HydrophobicContact CB-CG2 4.03Å; F28-V42 HydrophobicContact CD1-CG2 4.25Å; F28-V42 HydrophobicContact CG-CG2 4.27Å; V42-R44 HydrophobicContact CG1-CG 4.13Å; V42-H77 HydrophobicContact CB-CB 4.46Å; V42-H77 HydrophobicContact CG1-CB 3.57Å; V42-H77 HydrophobicContact CG2-CB 3.96Å
43V95.1Very high94.3Very high36 Ų3669 Ų6922%0.21836%0.36CS..BIsolated β-bridgetrans-94.7105.9173.4175.90000108.4D26 A27 P49 W51D26-V43 CarbonylContact C-O 3.58Å; A27-V43 PolarHBondContact N-O 2.76Å; A27-V43 PolarHBondContact O-N 2.77Å; V43-P49 HydrophobicContact CB-CB 3.71Å; V43-P49 HydrophobicContact CG1-CB 3.61Å; V43-P49 HydrophobicContact CG2-CB 4.29Å; V43-W51 HydrophobicContact CG2-CG 4.2Å
44R92.9Very high94.3Very high144 Ų14477 Ų7754%0.54340%0.397SS..  trans-75.8147.3-176-62.8-160.3166.187.41.6113.2D26 V42 S46D26-R44 HydrophobicContact CB-CG 4.38Å; D26-R44 VanDerWaalsContact OD1-CA 3.23Å; D26-R44 WeakPolarHBondContact OD1-CA 3.28Å; D26-R44 WeakPolarHBondContact OD1-CB 3.48Å; D26-R44 WeakPolarHBondContact OD2-CD 3.34Å; D26-R44 WeakPolarHBondContact OD2-CG 3.11Å; D26-R44 IonicContact OD2-NE 2.8Å; D26-R44 PolarHBondContact OD2-NE 2.97Å; V42-R44 HydrophobicContact CG1-CG 4.13Å; R44-S46 PolarHBondContact O-N 2.82Å
45R92.4Very high94.8Very high166 Ų16680.5 Ų80.563%0.62640%0.397SS*.SBendtrans52.250168.1-62-179.3-178.2-179.6-1.1113.5L24 T25 D26L24-R45 HydrophobicContact CB-CB 4.31Å; L24-R45 HydrophobicContact CD1-CB 3.82Å; T25-R45 WeakPolarHBondContact O-CA 3.21Å; T25-R45 PolarHBondContact O-N 2.72Å; T25-R45 VanDerWaalsContact O-N 3.14Å; D26-R45 PolarHBondContact OD1-N 2.75Å
46S94.9Very high95.2Very high30 Ų3076.8 Ų76.821%0.2137%0.366CS..  trans-145.2129.2176.7-172.30000113.3T25 R44 N48T25-S46 PolarHBondContact O-N 2.89Å; R44-S46 PolarHBondContact O-N 2.82Å; S46-N48 PolarHBondContact OG-N 3.37Å; S46-N48 PolarHBondContact OG-O 2.86Å
47L95Very high95.3Very high44 Ų4476.6 Ų76.623%0.2337%0.369CS..SBendtrans-81.2-6.1167.5-53.7-176.7000112.7N14 L15 V17 L24 T25N14-L47 PolarHBondContact N-O 3.38Å; L15-L47 PolarHBondContact N-O 3.47Å; V17-L47 HydrophobicContact CG2-CD1 4.19Å; V17-L47 HydrophobicContact CG2-CD2 4.37Å; L24-L47 HydrophobicContact CD2-CD2 4.49Å; L24-L47 HydrophobicContact CD2-CG 4Å; T25-L47 WeakPolarHBondContact OG1-CD2 3.32Å
48N96.8Very high95.3Very high90 Ų9073.3 Ų73.348%0.48135%0.349SS..SBendtrans-133.562178.1-55.6-74.6000110.1A12 R13 N14 S46A12-N48 CarbonylContact O-C 3.6Å; A12-N48 VanDerWaalsContact O-C 3.31Å; A12-N48 WeakPolarHBondContact O-CA 3.41Å; R13-N48 WeakPolarHBondContact CA-OD1 3.17Å; R13-N48 WeakPolarHBondContact CB-OD1 3.31Å; N14-N48 PolarHBondContact N-OD1 2.89Å; S46-N48 PolarHBondContact OG-N 3.37Å; S46-N48 PolarHBondContact OG-O 2.86Å
49P96Very high95Very high1 Ų176 Ų761%0.00637%0.365CS..  trans-67.4148-176.130.7-38.1000111.5S11 A12 L15 A27 V43 W51S11-P49 CarbonylContact C-O 3.48Å; S11-P49 WeakPolarHBondContact CA-O 3.19Å; S11-P49 VanDerWaalsContact CB-O 3.24Å; S11-P49 WeakPolarHBondContact CB-O 3.42Å; A12-P49 HydrophobicContact CB-CG 3.92Å; A12-P49 PolarHBondContact N-O 3.29Å; L15-P49 HydrophobicContact CD1-CG 3.72Å; A27-P49 HydrophobicContact CB-CB 4.39Å; A27-P49 HydrophobicContact CB-CG 3.98Å; V43-P49 HydrophobicContact CB-CB 3.71Å; V43-P49 HydrophobicContact CG1-CB 3.61Å; V43-P49 HydrophobicContact CG2-CB 4.29Å; P49-W51 HydrophobicContact CB-CH2 3.92Å; P49-W51 HydrophobicContact CB-CZ2 3.83Å; P49-W51 HydrophobicContact CB-CZ3 4.34Å; P49-W51 HydrophobicContact CG-CH2 3.35Å; P49-W51 HydrophobicContact CG-CZ2 3.71Å; P49-W51 HydrophobicContact CG-CZ3 3.88Å
50S96.7Very high94.6Very high72 Ų7271 Ų7150%0.50334%0.344SS..BIsolated β-bridgetrans-129.4119.8173.8610000109.6
51W95.7Very high94.1Very high32 Ų3274.3 Ų74.312%0.12136%0.361CS..  trans-101.2-36.9-178.7-61.8-84.5000111.6V9 I10 A12 A27 V29 T40 E41 V43 P49 S53V9-W51 HydrophobicContact CG1-CD2 4.15Å; V9-W51 HydrophobicContact CG1-CE3 3.56Å; V9-W51 HydrophobicContact CG1-CZ3 4.01Å; I10-W51 PolarHBondContact O-N 2.87Å; A12-W51 HydrophobicContact CB-CH2 3.94Å; A12-W51 HydrophobicContact CB-CZ3 3.79Å; A27-W51 HydrophobicContact CB-CH2 4.46Å; A27-W51 HydrophobicContact CB-CZ2 4.01Å; V29-W51 HydrophobicContact CG2-CE3 4.49Å; V29-W51 HydrophobicContact CG2-CH2 3.59Å; V29-W51 HydrophobicContact CG2-CZ2 3.76Å; V29-W51 HydrophobicContact CG2-CZ3 3.98Å; T40-W51 PolarHBondContact OG1-NE1 3.1Å; E41-W51 VanDerWaalsContact O-CD1 3.22Å; E41-W51 PolarHBondContact O-NE1 2.85Å; V43-W51 HydrophobicContact CG2-CG 4.2Å; P49-W51 HydrophobicContact CB-CH2 3.92Å; P49-W51 HydrophobicContact CB-CZ2 3.83Å; P49-W51 HydrophobicContact CB-CZ3 4.34Å; P49-W51 HydrophobicContact CG-CH2 3.35Å; P49-W51 HydrophobicContact CG-CZ2 3.71Å; P49-W51 HydrophobicContact CG-CZ3 3.88Å; W51-S53 PolarHBondContact O-N 3.28Å
52N94.7Very high93.4Very high93 Ų9367.2 Ų67.250%0.49733%0.329SS..  trans4829.8-174.9-67.6-55.8000114.4R8 V9 I10R8-N52 PolarHBondContact NH2-O 2.92Å; V9-N52 PolarHBondContact O-N 2.93Å; I10-N52 PolarHBondContact O-N 3.27Å
53S94.4Very high92.9Very high17 Ų1770.1 Ų70.112%0.11933%0.334CS..  trans-49.6161.5-170.355.80000114.4R8 V9 W51R8-S53 WeakPolarHBondContact CG-O 3.38Å; R8-S53 PolarHBondContact NE-O 3.46Å; V9-S53 WeakPolarHBondContact CA-OG 3.41Å; V9-S53 WeakPolarHBondContact CB-OG 3.4Å; V9-S53 PolarHBondContact N-OG 3.08Å; V9-S53 PolarHBondContact O-N 2.84Å; V9-S53 PolarHBondContact O-OG 2.99Å; W51-S53 PolarHBondContact O-N 3.28Å
54E94.8Very high92.6Very high171 Ų17169.5 Ų69.580%0.79933%0.333SS*.  trans-70.4177.8167.4-59.8-164.1158.700111.6F56E54-F56 PolarHBondContact O-N 2.92Å
55W95Very high92.3Very high116 Ų11662.7 Ų62.744%0.43931%0.307SS..  trans-79.7105.5177.9-71.199.3000111K6 R8 C57 A125 R127K6-W55 HydrophobicContact CB-CD2 4.34Å; K6-W55 HydrophobicContact CB-CE3 3.62Å; K6-W55 HydrophobicContact CB-CZ3 4.13Å; K6-W55 WeakPolarHBondContact O-CZ3 3.46Å; R8-W55 HydrophobicContact CB-CD2 4.01Å; R8-W55 HydrophobicContact CB-CE3 3.78Å; R8-W55 HydrophobicContact CB-CH2 4.25Å; R8-W55 HydrophobicContact CB-CZ2 4.44Å; R8-W55 HydrophobicContact CB-CZ3 3.91Å; W55-C57 PolarHBondContact O-N 2.92Å; W55-C57 PolarHBondContact O-SG 2.68Å; W55-A125 HydrophobicContact CH2-CB 3.96Å; W55-A125 HydrophobicContact CZ3-CB 4.46Å; W55-A125 WeakPolarHBondContact CZ3-O 3.26Å; W55-R127 HydrophobicContact CH2-CB 4.34Å; W55-R127 HydrophobicContact CZ3-CB 4.22Å
56F96.2Very high92.1Very high39 Ų3955.2 Ų55.217%0.17128%0.279CS..EExtended strand (participates in β ladder)trans-65.1124.2165.4-59.9-76.9000109K6 V7 V9 L31 Y38 T40 E54 F58K6-F56 CarbonylContact C-O 3.54Å; K6-F56 VanDerWaalsContact CA-O 3.3Å; K6-F56 WeakPolarHBondContact CA-O 3.29Å; V7-F56 PolarHBondContact N-O 3.04Å; V7-F56 PolarHBondContact O-N 3.24Å; V9-F56 HydrophobicContact CG2-CE2 4.42Å; L31-F56 HydrophobicContact CD1-CD2 4.02Å; L31-F56 HydrophobicContact CD1-CE2 4Å; L31-F56 HydrophobicContact CD1-CG 4.48Å; L31-F56 HydrophobicContact CD1-CZ 4.45Å; L31-F56 HydrophobicContact CD2-CD2 4.07Å; Y38-F56 HydrophobicContact CD1-CD1 4.21Å; Y38-F56 HydrophobicContact CD2-CB 4.04Å; Y38-F56 HydrophobicContact CD2-CD1 4.31Å; Y38-F56 HydrophobicContact CG-CB 4.36Å; Y38-F56 AromaticContact CG-CD1 3.78Å; Y38-F56 HydrophobicContact CG-CD1 3.78Å; Y38-F56 HydrophobicContact CG-CG 4.41Å; T40-F56 HydrophobicContact CG2-CE2 4.06Å; T40-F56 HydrophobicContact CG2-CZ 4.11Å; E54-F56 PolarHBondContact O-N 2.92Å; F56-F58 HydrophobicContact CB-CE2 4.49Å
57C94.3Very high92Very high50 Ų5054 Ų5434%0.33827%0.271SS..EExtended strand (participates in β ladder)trans-113.1116.2-175.4-63.40000110.1T4 Y38 W55T4-C57 HydrophobicContact CG2-CB 4.22Å; Y38-C57 PolarHBondContact OH-O 2.73Å; W55-C57 PolarHBondContact O-N 2.92Å; W55-C57 PolarHBondContact O-SG 2.68Å
58F93.7Very high91.8Very high0 Ų053.9 Ų53.90%027%0.269CS..EExtended strand (participates in β ladder)trans-98.7127.3171.8-59.7-97.6000109.1T4 V5 V7 L31 I33 I36 Y38 F56 L60 L70T4-F58 CarbonylContact C-O 3.55Å; T4-F58 VanDerWaalsContact CA-O 3.31Å; T4-F58 WeakPolarHBondContact CA-O 3.29Å; V5-F58 HydrophobicContact CB-CB 4.29Å; V5-F58 PolarHBondContact N-O 2.8Å; V5-F58 PolarHBondContact O-N 3.01Å; V7-F58 HydrophobicContact CG2-CD2 4.32Å; V7-F58 HydrophobicContact CG2-CE2 4Å; L31-F58 HydrophobicContact CB-CE2 4.36Å; L31-F58 HydrophobicContact CB-CZ 3.83Å; I33-F58 HydrophobicContact CB-CD1 4.09Å; I33-F58 HydrophobicContact CB-CE1 4.29Å; I33-F58 HydrophobicContact CD1-CB 3.89Å; I33-F58 HydrophobicContact CD1-CD1 3.91Å; I33-F58 HydrophobicContact CD1-CD2 3.68Å; I33-F58 HydrophobicContact CD1-CE1 4.32Å; I33-F58 HydrophobicContact CD1-CE2 4.11Å; I33-F58 HydrophobicContact CD1-CG 3.57Å; I33-F58 HydrophobicContact CD1-CZ 4.4Å; I33-F58 HydrophobicContact CG1-CD1 3.81Å; I33-F58 HydrophobicContact CG1-CD2 4.23Å; I33-F58 HydrophobicContact CG1-CE1 3.85Å; I33-F58 HydrophobicContact CG1-CE2 4.26Å; I33-F58 HydrophobicContact CG1-CG 4.01Å; I33-F58 HydrophobicContact CG1-CZ 4.06Å; I36-F58 HydrophobicContact CB-CD1 3.84Å; I36-F58 HydrophobicContact CB-CE1 4.15Å; I36-F58 HydrophobicContact CG2-CD1 3.55Å; I36-F58 HydrophobicContact CG2-CE1 3.82Å; Y38-F58 HydrophobicContact CD2-CD1 4.16Å; Y38-F58 HydrophobicContact CD2-CD2 4.47Å; Y38-F58 AromaticContact CD2-CE1 3.65Å; Y38-F58 HydrophobicContact CD2-CE1 3.65Å; Y38-F58 HydrophobicContact CD2-CE2 4Å; Y38-F58 AromaticContact CD2-CZ 3.57Å; Y38-F58 HydrophobicContact CD2-CZ 3.57Å; Y38-F58 AromaticContact CE2-CD1 3.97Å; Y38-F58 HydrophobicContact CE2-CD1 3.97Å; Y38-F58 HydrophobicContact CE2-CD2 4.47Å; Y38-F58 AromaticContact CE2-CE1 3.94Å; Y38-F58 HydrophobicContact CE2-CE1 3.94Å; Y38-F58 HydrophobicContact CE2-CE2 4.44Å; Y38-F58 HydrophobicContact CE2-CG 4.25Å; Y38-F58 HydrophobicContact CE2-CZ 4.19Å; F56-F58 HydrophobicContact CB-CE2 4.49Å; F58-L60 HydrophobicContact CB-CG 4.35Å; F58-L70 HydrophobicContact CE2-CD1 4.43Å
59E91.2Very high91.6Very high148 Ų14850.3 Ų50.369%0.69225%0.252SS*.EExtended strand (participates in β ladder)trans-98.1118.8169.7-63.5-175.517000108.6
60L88.4Confident91.5Very high13 Ų1350.2 Ų50.27%0.06825%0.252CS..EExtended strand (participates in β ladder)trans-127.3148.8-174.5-57.6173.4000109.6P2 G3 V5 I33 I36 F58 A64 L65P2-L60 CarbonylContact C-O 3.44Å; P2-L60 WeakPolarHBondContact CA-O 3.44Å; G3-L60 PolarHBondContact N-O 3.49Å; G3-L60 PolarHBondContact O-N 3.28Å; V5-L60 HydrophobicContact CG2-CD1 3.73Å; I33-L60 HydrophobicContact CB-CD1 4.48Å; I33-L60 HydrophobicContact CB-CD2 4.35Å; I33-L60 HydrophobicContact CD1-CD1 3.98Å; I33-L60 HydrophobicContact CG2-CD1 3.77Å; I33-L60 HydrophobicContact CG2-CD2 4.03Å; I36-L60 HydrophobicContact CD1-CD2 4.24Å; F58-L60 HydrophobicContact CB-CG 4.35Å; L60-A64 HydrophobicContact CB-CB 4.38Å; L60-A64 HydrophobicContact CD2-CB 4.4Å; L60-L65 HydrophobicContact CB-CB 4.41Å; L60-L65 HydrophobicContact CD1-CD1 4.07Å
61D86.3Confident91.4Very high84 Ų8447.1 Ų47.145%0.44923%0.229SC..EExtended strand (participates in β ladder)trans-78.9167.3168.673.8-25.7000111.7M1 R63 A64 L65M1-D61 CarbonylContact O-C 3.53Å; M1-D61 WeakPolarHBondContact O-CA 3.46Å; D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 VanDerWaalsContact O-N 3.08Å; D61-A64 PolarHBondContact O-N 3.18Å; D61-A64 WeakPolarHBondContact OD1-CB 3.38Å; D61-A64 PolarHBondContact OD1-N 3.38Å; D61-L65 VanDerWaalsContact O-CB 3.26Å; D61-L65 WeakPolarHBondContact O-CB 3.39Å; D61-L65 PolarHBondContact O-N 3.3Å
62D80.8Confident91.4Very high20 Ų2045.6 Ų45.611%0.10722%0.224CC..Hα-helixtrans-49.4-35.7176.7-73.3-11.5000113.1M1 Q66M1-D62 WeakPolarHBondContact CA-OD1 3.49Å; M1-D62 VanDerWaalsContact CB-OD1 3.29Å; M1-D62 WeakPolarHBondContact CB-OD1 3.44Å; M1-D62 PolarHBondContact N-OD1 2.94Å; M1-D62 PolarHBondContact N-OD2 2.79Å; M1-D62 PolarHBondContact O-N 3.38Å; M1-D62 VanDerWaalsContact O-OD1 3.1Å; D62-Q66 WeakPolarHBondContact O-CG 3.29Å
63R86.1Confident91.4Very high106 Ų10642.5 Ų42.540%0.421%0.206SC..Hα-helixtrans-72-57.7-178.9-178.1177.8179.3-177.82110.6D61 L65 Q66 D67 E202D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 VanDerWaalsContact O-N 3.08Å; R63-L65 PolarHBondContact O-N 3.26Å; R63-Q66 PolarHBondContact O-N 3.45Å; R63-Q66 VanDerWaalsContact O-N 3.11Å; R63-D67 HydrophobicContact CG-CB 4.5Å; R63-D67 WeakPolarHBondContact CG-OD2 3.5Å; R63-D67 IonicContact CZ-OD2 3.93Å; R63-D67 IonicContact NE-OD2 2.76Å; R63-D67 PolarHBondContact NE-OD2 3.13Å; R63-D67 IonicContact NH2-OD2 2.77Å; R63-D67 VanDerWaalsContact O-CB 3.31Å; R63-D67 WeakPolarHBondContact O-CB 3.4Å; R63-D67 PolarHBondContact O-N 2.9Å; R63-E202 IonicContact NH2-OE2 3.68Å; R63-E202 PolarHBondContact NH2-OE2 3.36Å
64A88.3Confident91.5Very high23 Ų2341.8 Ų41.819%0.1920%0.2CC..Hα-helixtrans-62.1-30.6-179.300000112.1L60 D61 Q66 E68L60-A64 HydrophobicContact CB-CB 4.38Å; L60-A64 HydrophobicContact CD2-CB 4.4Å; D61-A64 PolarHBondContact O-N 3.18Å; D61-A64 WeakPolarHBondContact OD1-CB 3.38Å; D61-A64 PolarHBondContact OD1-N 3.38Å; A64-Q66 PolarHBondContact O-N 2.96Å; A64-E68 HydrophobicContact CB-CG 4.33Å; A64-E68 VanDerWaalsContact O-CB 3.31Å; A64-E68 WeakPolarHBondContact O-CB 3.42Å; A64-E68 PolarHBondContact O-N 3Å
65L87.5Confident91.5Very high1 Ų134.2 Ų34.21%0.00517%0.165CC..Hα-helixtrans-64.6-24.1176.8-172.165.7000113.9V5 L60 D61 R63 L93 L97 V128 V130V5-L65 HydrophobicContact CG2-CD1 3.59Å; L60-L65 HydrophobicContact CB-CB 4.41Å; L60-L65 HydrophobicContact CD1-CD1 4.07Å; D61-L65 VanDerWaalsContact O-CB 3.26Å; D61-L65 WeakPolarHBondContact O-CB 3.39Å; D61-L65 PolarHBondContact O-N 3.3Å; R63-L65 PolarHBondContact O-N 3.26Å; L65-L93 HydrophobicContact CD1-CD1 4.19Å; L65-L97 HydrophobicContact CD1-CD2 4.31Å; L65-L97 HydrophobicContact CD2-CD1 4.42Å; L65-L97 HydrophobicContact CD2-CD2 3.73Å; L65-L97 HydrophobicContact CG-CD1 4.12Å; L65-L97 HydrophobicContact CG-CD2 3.89Å; L65-V128 HydrophobicContact CD1-CG1 4.16Å; L65-V130 HydrophobicContact CD2-CG2 4.24Å
66Q88Confident91.5Very high9 Ų929 Ų294%0.04215%0.146CC..Hα-helixtrans-105.9-35.1177.4-59.3-164.4-9400113D62 R63 A64 N94 L97 S140 S141 G201 R205D62-Q66 WeakPolarHBondContact O-CG 3.29Å; R63-Q66 PolarHBondContact O-N 3.45Å; R63-Q66 VanDerWaalsContact O-N 3.11Å; A64-Q66 PolarHBondContact O-N 2.96Å; Q66-N94 PolarHBondContact O-ND2 3.01Å; Q66-N94 VanDerWaalsContact O-ND2 3.08Å; Q66-L97 HydrophobicContact CG-CD1 3.8Å; Q66-S140 PolarHBondContact OE1-OG 3.14Å; Q66-S141 PolarHBondContact NE2-OG 2.95Å; Q66-G201 VanDerWaalsContact O-CA 3.29Å; Q66-G201 WeakPolarHBondContact O-CA 3.16Å; Q66-R205 HydrophobicContact CB-CB 4.24Å; Q66-R205 HydrophobicContact CB-CG 4.49Å
67D91.4Very high91.3Very high5 Ų529.2 Ų29.23%0.02715%0.148CC..Hα-helixtrans-81.1-31.4-178-67.310.8000112.3R63 R198 E202 R205R63-D67 HydrophobicContact CG-CB 4.5Å; R63-D67 WeakPolarHBondContact CG-OD2 3.5Å; R63-D67 IonicContact CZ-OD2 3.93Å; R63-D67 IonicContact NE-OD2 2.76Å; R63-D67 PolarHBondContact NE-OD2 3.13Å; R63-D67 IonicContact NH2-OD2 2.77Å; R63-D67 VanDerWaalsContact O-CB 3.31Å; R63-D67 WeakPolarHBondContact O-CB 3.4Å; R63-D67 PolarHBondContact O-N 2.9Å; D67-R198 WeakPolarHBondContact O-CA 3.49Å; D67-R198 WeakPolarHBondContact O-CG 3.48Å; D67-E202 WeakPolarHBondContact OD1-CA 3.29Å; D67-R205 IonicContact OD1-CZ 3.26Å; D67-R205 VanDerWaalsContact OD1-CZ 3.29Å; D67-R205 IonicContact OD1-NE 2.8Å; D67-R205 PolarHBondContact OD1-NE 2.93Å; D67-R205 IonicContact OD1-NH2 2.68Å; D67-R205 PolarHBondContact OD1-NH2 3.27Å; D67-R205 IonicContact OD2-CZ 3.63Å; D67-R205 IonicContact OD2-NE 3.01Å; D67-R205 IonicContact OD2-NH2 2.73Å; D67-R205 PolarHBondContact OD2-NH2 3.01Å
68E91.5Very high91.1Very high41 Ų4129.3 Ų29.319%0.19214%0.144CC..  trans-106.8130.6-175-61.9-74.7170.800112.4I33 A64 R198I33-E68 HydrophobicContact CG2-CB 3.92Å; A64-E68 HydrophobicContact CB-CG 4.33Å; A64-E68 VanDerWaalsContact O-CB 3.31Å; A64-E68 WeakPolarHBondContact O-CB 3.42Å; A64-E68 PolarHBondContact O-N 3Å; E68-R198 WeakPolarHBondContact OE1-CD 3.45Å; E68-R198 IonicContact OE1-CZ 3.67Å; E68-R198 IonicContact OE1-NE 3.3Å; E68-R198 IonicContact OE1-NH1 3.29Å; E68-R198 PolarHBondContact OE1-NH1 2.86Å
69A92.5Very high90.8Very high15 Ų1533.5 Ų33.512%0.12417%0.17CC..  trans-84146.9171.700000112L71 S197A69-L71 PolarHBondContact O-N 2.82Å; A69-S197 VanDerWaalsContact CB-OG 3.26Å; A69-S197 WeakPolarHBondContact CB-OG 3.38Å
70L94.6Very high90.4Very high0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-77.1118.8171162.265000109.7V7 I33 F58 L72 Y90 F91 L93 I126V7-L70 HydrophobicContact CG2-CD1 4.23Å; V7-L70 HydrophobicContact CG2-CD2 3.55Å; I33-L70 HydrophobicContact CD1-CB 4.08Å; I33-L70 HydrophobicContact CD1-CD1 4.01Å; I33-L70 HydrophobicContact CG1-CB 4.02Å; I33-L70 HydrophobicContact CG1-CD1 3.68Å; I33-L70 HydrophobicContact CG1-CG 4.43Å; F58-L70 HydrophobicContact CE2-CD1 4.43Å; L70-L72 HydrophobicContact CD1-CD1 3.9Å; L70-L72 HydrophobicContact CD2-CD1 4.1Å; L70-L72 HydrophobicContact CG-CD1 3.77Å; L70-Y90 CarbonylContact O-C 3.56Å; L70-F91 HydrophobicContact CB-CB 4.08Å; L70-F91 HydrophobicContact CD2-CB 4.36Å; L70-F91 HydrophobicContact CD2-CD2 4.43Å; L70-F91 HydrophobicContact CG-CB 4.33Å; L70-F91 HydrophobicContact CG-CD2 4.39Å; L70-F91 PolarHBondContact N-O 3.45Å; L70-F91 PolarHBondContact O-N 2.75Å; L70-L93 HydrophobicContact CB-CD2 4.18Å; L70-L93 HydrophobicContact CB-CG 4.49Å; L70-I126 HydrophobicContact CD2-CD1 3.6Å; L70-I126 HydrophobicContact CD2-CG1 4.02Å; L70-I126 HydrophobicContact CD2-CG2 4.29Å
71L94.6Very high90.4Very high6 Ų640 Ų403%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-107.5124.5178.1172.961.5000110C32 A69 K73 R88 Y90 R194C32-L71 HydrophobicContact CB-CB 4.42Å; C32-L71 PolarHBondContact N-O 3.31Å; C32-L71 PolarHBondContact O-N 3.23Å; A69-L71 PolarHBondContact O-N 2.82Å; L71-K73 HydrophobicContact CD2-CG 4.49Å; L71-K73 HydrophobicContact CG-CG 4.39Å; L71-R88 HydrophobicContact CD1-CB 3.9Å; L71-R88 HydrophobicContact CD1-CG 4.5Å; L71-Y90 HydrophobicContact CD1-CD1 4.08Å; L71-Y90 HydrophobicContact CD1-CD2 4.3Å; L71-Y90 HydrophobicContact CD1-CE1 3.9Å; L71-Y90 HydrophobicContact CD1-CE2 4.11Å; L71-Y90 HydrophobicContact CD1-CG 4.3Å; L71-Y90 HydrophobicContact CD2-CE1 4.49Å; L71-R194 HydrophobicContact CD2-CG 4.5Å; L71-R194 VanDerWaalsContact CD2-CZ 3.43Å; L71-R194 VanDerWaalsContact CD2-NH2 3.29Å
72L95.8Very high90.3Very high1 Ų140.2 Ų40.21%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-107128165.4-69.692.7000109.7V7 V9 V29 E30 L31 L70 R88 V89 F91 L124V7-L72 HydrophobicContact CG1-CD2 4.4Å; V9-L72 HydrophobicContact CG2-CD2 4.17Å; V29-L72 HydrophobicContact CG1-CB 4.25Å; V29-L72 HydrophobicContact CG1-CD2 3.95Å; E30-L72 CarbonylContact O-C 3.58Å; E30-L72 WeakPolarHBondContact O-CA 3.29Å; L31-L72 HydrophobicContact CD2-CD2 3.7Å; L31-L72 HydrophobicContact CD2-CG 4.16Å; L31-L72 HydrophobicContact CG-CD2 3.87Å; L31-L72 HydrophobicContact CG-CG 4.06Å; L70-L72 HydrophobicContact CD1-CD1 3.9Å; L70-L72 HydrophobicContact CD2-CD1 4.1Å; L70-L72 HydrophobicContact CG-CD1 3.77Å; L72-R88 CarbonylContact O-C 3.55Å; L72-R88 WeakPolarHBondContact O-CA 3.41Å; L72-R88 VanDerWaalsContact O-CB 3.3Å; L72-R88 WeakPolarHBondContact O-CB 3.35Å; L72-V89 PolarHBondContact N-O 3.49Å; L72-V89 PolarHBondContact O-N 2.8Å; L72-F91 HydrophobicContact CD1-CD2 3.72Å; L72-F91 HydrophobicContact CD1-CE2 3.73Å; L72-L124 HydrophobicContact CD1-CD1 4.13Å; L72-L124 HydrophobicContact CD2-CD1 3.76Å; L72-L124 HydrophobicContact CD2-CD2 3.67Å; L72-L124 HydrophobicContact CD2-CG 4.38Å; L72-L124 HydrophobicContact CG-CD1 4.49Å
73K95Very high90.6Very high28 Ų2842.6 Ų42.612%0.12222%0.223CC..EExtended strand (participates in β ladder)trans-106.2130.4171.1-71.7-172.5164.7-1640110V29 E30 L71 M75 E190 R194V29-K73 CarbonylContact C-O 3.53Å; V29-K73 VanDerWaalsContact CA-O 3.27Å; V29-K73 WeakPolarHBondContact CA-O 3.39Å; V29-K73 WeakPolarHBondContact CG1-O 3.48Å; E30-K73 HydrophobicContact CB-CB 4.29Å; E30-K73 PolarHBondContact N-O 2.91Å; E30-K73 PolarHBondContact O-N 3.33Å; L71-K73 HydrophobicContact CD2-CG 4.49Å; L71-K73 HydrophobicContact CG-CG 4.39Å; K73-M75 HydrophobicContact CB-CG 4.28Å; K73-M75 HydrophobicContact CB-SD 4.19Å; K73-M75 HydrophobicContact CD-SD 4.35Å; K73-E190 WeakPolarHBondContact CE-OE1 3.22Å; K73-E190 VanDerWaalsContact CE-OE2 3.3Å; K73-E190 WeakPolarHBondContact CE-OE2 3.36Å; K73-E190 IonicContact NZ-OE1 2.77Å; K73-E190 PolarHBondContact NZ-OE1 3.33Å; K73-E190 IonicContact NZ-OE2 3.92Å; K73-E190 PolarHBondContact NZ-OE2 3.3Å; K73-R194 VanDerWaalsContact CE-NH2 3.3Å
74V96.4Very high90.8Very high1 Ų141.5 Ų41.51%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-98.3124169.1-170.20000107.6L15 V29 I86 G87 I111 I122L15-V74 HydrophobicContact CD2-CG1 4.45Å; V29-V74 HydrophobicContact CG2-CG2 4.34Å; V74-I86 HydrophobicContact CB-CB 4.37Å; V74-I86 HydrophobicContact CG1-CB 4.34Å; V74-I86 HydrophobicContact CG1-CD1 4.17Å; V74-I86 WeakPolarHBondContact O-CB 3.46Å; V74-I86 PolarHBondContact O-N 2.89Å; V74-G87 PolarHBondContact N-O 2.88Å; V74-G87 PolarHBondContact O-N 3.47Å; V74-I111 HydrophobicContact CB-CG2 4.4Å; V74-I111 HydrophobicContact CG2-CD1 3.96Å; V74-I111 HydrophobicContact CG2-CG1 4.15Å; V74-I111 HydrophobicContact CG2-CG2 4.21Å; V74-I122 HydrophobicContact CG2-CD1 4.02Å
75M94.8Very high90.9Very high13 Ų1342.2 Ų42.26%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-124.5148.2-169.2-61.6-63-6100110.1A27 F28 E30 K73 H83 D84 T85A27-M75 WeakPolarHBondContact CA-O 3.37Å; F28-M75 HydrophobicContact CD1-CB 3.78Å; F28-M75 HydrophobicContact CD2-CB 4.29Å; F28-M75 HydrophobicContact CE1-CB 3.31Å; F28-M75 HydrophobicContact CE1-CG 4.31Å; F28-M75 HydrophobicContact CE2-CB 3.87Å; F28-M75 HydrophobicContact CE2-CG 4.07Å; F28-M75 HydrophobicContact CG-CB 4.26Å; F28-M75 HydrophobicContact CZ-CB 3.36Å; F28-M75 HydrophobicContact CZ-CG 3.86Å; F28-M75 PolarHBondContact N-O 3.01Å; F28-M75 PolarHBondContact O-N 2.79Å; E30-M75 HydrophobicContact CG-CG 4.06Å; K73-M75 HydrophobicContact CB-CG 4.28Å; K73-M75 HydrophobicContact CB-SD 4.19Å; K73-M75 HydrophobicContact CD-SD 4.35Å; M75-H83 HydrophobicContact CE-CB 3.75Å; M75-H83 VanDerWaalsContact CE-O 3.25Å; M75-H83 WeakPolarHBondContact CE-O 3.14Å; M75-D84 CarbonylContact C-O 3.58Å; M75-D84 WeakPolarHBondContact CA-O 3.46Å; M75-T85 HydrophobicContact CE-CG2 3.84Å; M75-T85 HydrophobicContact SD-CG2 3.43Å; M75-T85 WeakPolarHBondContact SD-CG2 3.31Å
76D94.4Very high91.2Very high7 Ų742.2 Ų42.24%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-99128170.3-165.238.8000110.3M18 T25 D26 D78 H83 D84 I86M18-D76 HydrophobicContact CB-CB 4.09Å; M18-D76 WeakPolarHBondContact CB-OD2 3.42Å; M18-D76 HydrophobicContact CG-CB 4.15Å; T25-D76 HydrophobicContact CG2-CB 4.37Å; T25-D76 WeakPolarHBondContact CG2-OD1 3.31Å; D26-D76 WeakPolarHBondContact CA-OD1 3.35Å; D26-D76 PolarHBondContact N-OD1 3.49Å; D76-D78 PolarHBondContact O-N 3.29Å; D76-H83 VanDerWaalsContact O-CA 3.31Å; D76-H83 WeakPolarHBondContact O-CA 3.26Å; D76-H83 VanDerWaalsContact O-CB 3.27Å; D76-H83 WeakPolarHBondContact O-CB 3.4Å; D76-D84 HydrophobicContact CB-CB 4.29Å; D76-D84 PolarHBondContact N-O 3.26Å; D76-D84 PolarHBondContact O-N 2.87Å; D76-I86 HydrophobicContact CB-CD1 4.19Å; D76-I86 HydrophobicContact CB-CG1 4.24Å
77H92.4Very high91.5Very high43 Ų4342 Ų4220%0.19923%0.228CC..  trans-88.688.8-172.5179.772000112.8D26 F28 V42 H83D26-H77 HydrophobicContact CB-CB 4.26Å; D26-H77 VanDerWaalsContact O-CB 3.32Å; D26-H77 WeakPolarHBondContact O-CB 3.26Å; D26-H77 PolarHBondContact O-N 2.7Å; F28-H77 HydrophobicContact CD1-CB 3.82Å; F28-H77 HydrophobicContact CE1-CB 3.93Å; V42-H77 HydrophobicContact CB-CB 4.46Å; V42-H77 HydrophobicContact CG1-CB 3.57Å; V42-H77 HydrophobicContact CG2-CB 3.96Å; H77-H83 AromaticContact CE1-CE1 3.6Å; H77-H83 AromaticContact ND1-CE1 3.2Å; H77-H83 PolarHBondContact ND1-CE1 3.33Å; H77-H83 AromaticContact ND1-ND1 3.77Å; H77-H83 AromaticContact ND1-NE2 3.62Å
78D90.6Very high91.6Very high51 Ų5142.5 Ų42.527%0.27323%0.23SC..  trans-70.9138.8165.2-90.5-19.1000113D76 S81 H83D76-D78 PolarHBondContact O-N 3.29Å; D78-S81 WeakPolarHBondContact CB-O 3.35Å; D78-S81 WeakPolarHBondContact CB-OG 3.48Å; D78-S81 WeakPolarHBondContact OD2-CB 3.38Å; D78-S81 PolarHBondContact OD2-OG 2.98Å; D78-H83 PolarHBondContact N-ND1 3.45Å; D78-H83 PolarHBondContact O-CE1 3.25Å; D78-H83 PolarHBondContact O-ND1 2.89Å
79T85.7Confident91.7Very high89 Ų8940.8 Ų40.855%0.54622%0.222SC..SBendtrans-87.7-29.7177.9-57.80000113.2
80Y83.9Confident91.7Very high229 Ų22941.5 Ų41.590%0.89822%0.222SC*.SBendtrans-121.9-1.4-173.3-58.2-70.6000113.9
81S87Confident91.6Very high69 Ų6941.7 Ų41.748%0.48322%0.223SC..SBendtrans-130.3170.9179.121.60000110.3D78D78-S81 WeakPolarHBondContact CB-O 3.35Å; D78-S81 WeakPolarHBondContact CB-OG 3.48Å; D78-S81 WeakPolarHBondContact OD2-CB 3.38Å; D78-S81 PolarHBondContact OD2-OG 2.98Å
82A85.1Confident91.3Very high87 Ų8743 Ų4372%0.71923%0.229SC*.PPolyproline II helixtrans-66.5141.2170.500000110.1D84A82-D84 PolarHBondContact O-N 3.13Å
83H88Confident91Very high70 Ų7043 Ų4332%0.32423%0.229SC..PPolyproline II helixtrans-63.3129.7-178.5-55.9-29.7000112.1F28 M75 D76 H77 D78F28-H83 HydrophobicContact CE1-CB 4.22Å; F28-H83 AromaticContact CE1-CD2 3.95Å; F28-H83 HydrophobicContact CZ-CB 4.25Å; F28-H83 AromaticContact CZ-CD2 3.59Å; M75-H83 HydrophobicContact CE-CB 3.75Å; M75-H83 VanDerWaalsContact CE-O 3.25Å; M75-H83 WeakPolarHBondContact CE-O 3.14Å; D76-H83 VanDerWaalsContact O-CA 3.31Å; D76-H83 WeakPolarHBondContact O-CA 3.26Å; D76-H83 VanDerWaalsContact O-CB 3.27Å; D76-H83 WeakPolarHBondContact O-CB 3.4Å; H77-H83 AromaticContact CE1-CE1 3.6Å; H77-H83 AromaticContact ND1-CE1 3.2Å; H77-H83 PolarHBondContact ND1-CE1 3.33Å; H77-H83 AromaticContact ND1-ND1 3.77Å; H77-H83 AromaticContact ND1-NE2 3.62Å; D78-H83 PolarHBondContact N-ND1 3.45Å; D78-H83 PolarHBondContact O-CE1 3.25Å; D78-H83 PolarHBondContact O-ND1 2.89Å
84D89.2Confident90.7Very high84 Ų8442.6 Ų42.645%0.44923%0.228SC..EExtended strand (participates in β ladder)trans-80.4139.9-177.2-102.2-13.4000111.9M18 M75 D76 A82 I86M18-D84 HydrophobicContact CE-CB 3.74Å; M75-D84 CarbonylContact C-O 3.58Å; M75-D84 WeakPolarHBondContact CA-O 3.46Å; D76-D84 HydrophobicContact CB-CB 4.29Å; D76-D84 PolarHBondContact N-O 3.26Å; D76-D84 PolarHBondContact O-N 2.87Å; A82-D84 PolarHBondContact O-N 3.13Å; D84-I86 PolarHBondContact O-N 2.82Å
85T90.8Very high90.1Very high38 Ų3842.8 Ų42.823%0.23323%0.23CC..EExtended strand (participates in β ladder)trans-83.4115.3178.230.50000110.3M75 R186M75-T85 HydrophobicContact CE-CG2 3.84Å; M75-T85 HydrophobicContact SD-CG2 3.43Å; M75-T85 WeakPolarHBondContact SD-CG2 3.31Å; T85-R186 PolarHBondContact O-NH1 3.49Å; T85-R186 PolarHBondContact OG1-NH1 2.92Å
86I93.5Very high89.7Confident0 Ų042.4 Ų42.40%023%0.228CC..EExtended strand (participates in β ladder)trans-77.8-44175.7-58-173.9000110.3P16 M18 T25 V74 D76 D84 R119P16-I86 HydrophobicContact CG-CG2 3.62Å; M18-I86 HydrophobicContact CE-CG1 4.33Å; M18-I86 HydrophobicContact CG-CD1 4.01Å; M18-I86 HydrophobicContact CG-CG1 3.98Å; M18-I86 HydrophobicContact SD-CG1 4.16Å; T25-I86 HydrophobicContact CG2-CD1 3.43Å; T25-I86 VanDerWaalsContact CG2-CD1 3.43Å; V74-I86 HydrophobicContact CB-CB 4.37Å; V74-I86 HydrophobicContact CG1-CB 4.34Å; V74-I86 HydrophobicContact CG1-CD1 4.17Å; V74-I86 WeakPolarHBondContact O-CB 3.46Å; V74-I86 PolarHBondContact O-N 2.89Å; D76-I86 HydrophobicContact CB-CD1 4.19Å; D76-I86 HydrophobicContact CB-CG1 4.24Å; D84-I86 PolarHBondContact O-N 2.82Å; I86-R119 HydrophobicContact CG2-CB 4.26Å
87G93.8Very high89.1Confident6 Ų642.5 Ų42.56%0.06223%0.228CC..EExtended strand (participates in β ladder)trans161.8-168.6178.800000111V74 I111 Y112V74-G87 PolarHBondContact N-O 2.88Å; V74-G87 PolarHBondContact O-N 3.47Å; G87-I111 VanDerWaalsContact C-CG2 3.48Å; G87-Y112 WeakPolarHBondContact CA-O 3.46Å
88R93.6Very high88.2Confident15 Ų1541.1 Ų41.16%0.05722%0.224CC..EExtended strand (participates in β ladder)trans-152.3164.6-169.352.9180171.1-179.41113.5L71 L72 Y90 Y112 E190 Q193L71-R88 HydrophobicContact CD1-CB 3.9Å; L71-R88 HydrophobicContact CD1-CG 4.5Å; L72-R88 CarbonylContact O-C 3.55Å; L72-R88 WeakPolarHBondContact O-CA 3.41Å; L72-R88 VanDerWaalsContact O-CB 3.3Å; L72-R88 WeakPolarHBondContact O-CB 3.35Å; R88-Y90 HydrophobicContact CG-CE2 4.31Å; R88-Y90 PolarHBondContact NH1-OH 3.02Å; R88-Y112 VanDerWaalsContact CG-O 3.24Å; R88-Y112 WeakPolarHBondContact CG-O 3.17Å; R88-Y112 PolarHBondContact N-O 3.03Å; R88-Y112 PolarHBondContact O-N 2.83Å; R88-E190 VanDerWaalsContact NH1-CA 3.27Å; R88-E190 VanDerWaalsContact NH1-CD 3.27Å; R88-E190 IonicContact NH1-OE1 3.65Å; R88-E190 PolarHBondContact NH1-OE1 3.05Å; R88-E190 VanDerWaalsContact NH1-OE1 3.16Å; R88-Q193 VanDerWaalsContact NH2-CD 3.27Å
89V94.4Very high87.1Confident5 Ų545.7 Ų45.73%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-133.4133.3171.4-168.40000108.9L72 F91 F109 I111 I122L72-V89 PolarHBondContact N-O 3.49Å; L72-V89 PolarHBondContact O-N 2.8Å; V89-F91 HydrophobicContact CB-CE2 3.85Å; V89-F91 HydrophobicContact CB-CZ 4.41Å; V89-F91 HydrophobicContact CG1-CD2 4.09Å; V89-F91 HydrophobicContact CG1-CE1 4.37Å; V89-F91 HydrophobicContact CG1-CE2 3.32Å; V89-F91 HydrophobicContact CG1-CZ 3.5Å; V89-F91 VanDerWaalsContact CG1-CZ 3.5Å; V89-F109 HydrophobicContact CG1-CB 3.99Å; V89-F109 HydrophobicContact CG1-CG 4.46Å; V89-F109 HydrophobicContact CG2-CB 4.26Å; V89-I111 HydrophobicContact CG2-CG1 4.49Å; V89-I122 HydrophobicContact CG2-CG2 3.76Å
90Y92.5Very high86.1Confident30 Ų3045.6 Ų45.612%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-103.3138.8174.3-75-90000110.2L70 L71 R88 Q193 R194 F1189 H1222L70-Y90 CarbonylContact O-C 3.56Å; L71-Y90 HydrophobicContact CD1-CD1 4.08Å; L71-Y90 HydrophobicContact CD1-CD2 4.3Å; L71-Y90 HydrophobicContact CD1-CE1 3.9Å; L71-Y90 HydrophobicContact CD1-CE2 4.11Å; L71-Y90 HydrophobicContact CD1-CG 4.3Å; L71-Y90 HydrophobicContact CD2-CE1 4.49Å; R88-Y90 HydrophobicContact CG-CE2 4.31Å; R88-Y90 PolarHBondContact NH1-OH 3.02Å; Y90-Q193 HydrophobicContact CE2-CB 4.39Å; Y90-Q193 VanDerWaalsContact CE2-OE1 3.28Å; Y90-Q193 WeakPolarHBondContact OH-CB 3.48Å; Y90-R194 HydrophobicContact CE1-CG 4.04Å; Y90-R194 WeakPolarHBondContact OH-CG 3.24Å; Y90-F1189 WeakPolarHBondContact O-CE1 3.44Å; Y90-H1222 PolarHBondContact O-CE1 3.29Å
91F91.9Very high85.3Confident4 Ų436.6 Ų36.62%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-126.1108.7174.6-69.3-83.3000109.6L70 L72 V89 L93 L105 F109 L124 I126 H1222L70-F91 HydrophobicContact CB-CB 4.08Å; L70-F91 HydrophobicContact CD2-CB 4.36Å; L70-F91 HydrophobicContact CD2-CD2 4.43Å; L70-F91 HydrophobicContact CG-CB 4.33Å; L70-F91 HydrophobicContact CG-CD2 4.39Å; L70-F91 PolarHBondContact N-O 3.45Å; L70-F91 PolarHBondContact O-N 2.75Å; L72-F91 HydrophobicContact CD1-CD2 3.72Å; L72-F91 HydrophobicContact CD1-CE2 3.73Å; V89-F91 HydrophobicContact CB-CE2 3.85Å; V89-F91 HydrophobicContact CB-CZ 4.41Å; V89-F91 HydrophobicContact CG1-CD2 4.09Å; V89-F91 HydrophobicContact CG1-CE1 4.37Å; V89-F91 HydrophobicContact CG1-CE2 3.32Å; V89-F91 HydrophobicContact CG1-CZ 3.5Å; V89-F91 VanDerWaalsContact CG1-CZ 3.5Å; F91-L93 PolarHBondContact O-N 3.08Å; F91-L105 HydrophobicContact CD1-CD1 3.95Å; F91-L105 HydrophobicContact CD1-CD2 4.09Å; F91-L105 HydrophobicContact CE1-CD1 3.99Å; F91-L105 HydrophobicContact CE1-CD2 3.67Å; F91-L105 HydrophobicContact CZ-CD2 4.44Å; F91-F109 AromaticContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD2 4.31Å; F91-F109 AromaticContact CE1-CE1 3.5Å; F91-F109 HydrophobicContact CE1-CE1 3.5Å; F91-F109 HydrophobicContact CE1-CE2 4.13Å; F91-F109 HydrophobicContact CE1-CG 4.12Å; F91-F109 AromaticContact CE1-CZ 3.74Å; F91-F109 HydrophobicContact CE1-CZ 3.74Å; F91-F109 HydrophobicContact CZ-CB 4.36Å; F91-F109 AromaticContact CZ-CD1 3.69Å; F91-F109 HydrophobicContact CZ-CD1 3.69Å; F91-F109 AromaticContact CZ-CD2 3.78Å; F91-F109 HydrophobicContact CZ-CD2 3.78Å; F91-F109 AromaticContact CZ-CE1 3.91Å; F91-F109 HydrophobicContact CZ-CE1 3.91Å; F91-F109 AromaticContact CZ-CE2 3.98Å; F91-F109 HydrophobicContact CZ-CE2 3.98Å; F91-F109 AromaticContact CZ-CG 3.64Å; F91-F109 HydrophobicContact CZ-CG 3.64Å; F91-F109 HydrophobicContact CZ-CZ 4.05Å; F91-L124 HydrophobicContact CE2-CD1 3.65Å; F91-L124 HydrophobicContact CZ-CD1 3.76Å; F91-I126 HydrophobicContact CB-CD1 4.45Å; F91-I126 HydrophobicContact CD1-CD1 3.81Å; F91-I126 HydrophobicContact CD2-CD1 3.78Å; F91-I126 HydrophobicContact CE1-CD1 3.95Å; F91-I126 HydrophobicContact CE2-CD1 3.91Å; F91-I126 HydrophobicContact CG-CD1 3.73Å; F91-I126 HydrophobicContact CZ-CD1 3.98Å; F91-H1222 AromaticContact CD1-CE1 3.62Å; F91-H1222 AromaticContact CD1-ND1 3.84Å; F91-H1222 AromaticContact CE1-CE1 3.45Å; F91-H1222 VanDerWaalsContact CE1-CE1 3.45Å; F91-H1222 WeakPolarHBondContact CE1-CE1 3.42Å; F91-H1222 AromaticContact CE1-ND1 3.75Å
92D88.3Confident84.5Confident32 Ų3237.4 Ų37.417%0.17122%0.222CC..  trans-64.8129158.4-179.314.9000108.8N94 P95 F1189D92-N94 WeakPolarHBondContact OD1-CB 3.38Å; D92-N94 PolarHBondContact OD1-N 3.43Å; D92-N94 PolarHBondContact OD1-ND2 2.97Å; D92-P95 WeakPolarHBondContact OD2-CD 3.46Å; D92-F1189 HydrophobicContact CB-CE2 4.39Å
93L89.4Confident84.4Confident2 Ų236.3 Ų36.31%0.0120%0.199CC..  trans-89.8-20.5-179.6-61.2177.5000111.8V5 L65 L70 F91 P95 L96 L97 V128V5-L93 HydrophobicContact CG1-CD1 4.49Å; V5-L93 HydrophobicContact CG1-CD2 4.35Å; V5-L93 HydrophobicContact CG2-CD1 3.85Å; L65-L93 HydrophobicContact CD1-CD1 4.19Å; L70-L93 HydrophobicContact CB-CD2 4.18Å; L70-L93 HydrophobicContact CB-CG 4.49Å; F91-L93 PolarHBondContact O-N 3.08Å; L93-P95 VanDerWaalsContact C-CD 3.47Å; L93-L96 WeakPolarHBondContact O-CB 3.43Å; L93-L96 PolarHBondContact O-N 3.14Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.21Å; L93-V128 HydrophobicContact CD2-CG2 4.45Å
94N88.3Confident84.4Confident19 Ų1936.1 Ų36.110%0.10221%0.205CC..G310 helixtrans-53.9-38.5-175.2-71.6-70.1000114.5Q66 D92 L96 L97Q66-N94 PolarHBondContact O-ND2 3.01Å; Q66-N94 VanDerWaalsContact O-ND2 3.08Å; D92-N94 WeakPolarHBondContact OD1-CB 3.38Å; D92-N94 PolarHBondContact OD1-N 3.43Å; D92-N94 PolarHBondContact OD1-ND2 2.97Å; N94-L96 VanDerWaalsContact C-N 3.32Å; N94-L96 PolarHBondContact O-N 3.28Å; N94-L97 WeakPolarHBondContact O-CB 3.14Å; N94-L97 PolarHBondContact O-N 3Å; N94-L97 VanDerWaalsContact O-N 3.13Å
95P85.6Confident84.4Confident6 Ų632.5 Ų32.54%0.03919%0.186CC..G310 helixtrans-55-44.1171.7-2937000113D92 L93 L97 S98 Q101 L1226 M1260D92-P95 WeakPolarHBondContact OD2-CD 3.46Å; L93-P95 VanDerWaalsContact C-CD 3.47Å; P95-L97 PolarHBondContact O-N 3.45Å; P95-L97 VanDerWaalsContact O-N 3.16Å; P95-S98 PolarHBondContact O-N 3.31Å; P95-Q101 PolarHBondContact O-OE1 2.72Å; P95-L1226 HydrophobicContact CB-CD1 4.11Å; P95-M1260 HydrophobicContact CB-CE 3.94Å; P95-M1260 HydrophobicContact CG-CE 3.67Å
96L85.6Confident84.4Confident5 Ų535.4 Ų35.43%0.02620%0.2CC..G310 helixtrans-70-12.3-178.7-61.4176.3000113.9L93 N94 T102 L105 I126 V128 L1226L93-L96 WeakPolarHBondContact O-CB 3.43Å; L93-L96 PolarHBondContact O-N 3.14Å; N94-L96 VanDerWaalsContact C-N 3.32Å; N94-L96 PolarHBondContact O-N 3.28Å; L96-T102 WeakPolarHBondContact CD2-O 3.45Å; L96-L105 HydrophobicContact CD1-CB 4.33Å; L96-L105 HydrophobicContact CD2-CB 4.2Å; L96-I126 HydrophobicContact CD1-CG2 4.19Å; L96-V128 HydrophobicContact CB-CG2 4.02Å; L96-V128 HydrophobicContact CD1-CG2 3.81Å; L96-L1226 HydrophobicContact CD2-CD2 3.43Å; L96-L1226 VanDerWaalsContact CD2-CD2 3.43Å; L96-L1226 HydrophobicContact CG-CD2 4.25Å
97L82.2Confident84.4Confident8 Ų836.2 Ų36.24%0.04221%0.208CC..G310 helixtrans-85.1-14-179.4-59.7-174.4000113.3L65 Q66 L93 N94 P95 R99 V128 V130 L142L65-L97 HydrophobicContact CD1-CD2 4.31Å; L65-L97 HydrophobicContact CD2-CD1 4.42Å; L65-L97 HydrophobicContact CD2-CD2 3.73Å; L65-L97 HydrophobicContact CG-CD1 4.12Å; L65-L97 HydrophobicContact CG-CD2 3.89Å; Q66-L97 HydrophobicContact CG-CD1 3.8Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 3.21Å; N94-L97 WeakPolarHBondContact O-CB 3.14Å; N94-L97 PolarHBondContact O-N 3Å; N94-L97 VanDerWaalsContact O-N 3.13Å; P95-L97 PolarHBondContact O-N 3.45Å; P95-L97 VanDerWaalsContact O-N 3.16Å; L97-R99 PolarHBondContact O-N 3.08Å; L97-V128 HydrophobicContact CD2-CG1 3.94Å; L97-V130 HydrophobicContact CD2-CG2 3.83Å; L97-L142 HydrophobicContact CB-CD2 3.7Å; L97-L142 HydrophobicContact CD1-CD2 4.43Å; L97-L142 HydrophobicContact CD2-CD2 4.44Å; L97-L142 HydrophobicContact CG-CD2 4.4Å
98S73.6Confident84.4Confident14 Ų1440 Ų4010%0.09822%0.221CC..SBendtrans-64.8131.6-176.7-94.20000113.7P95 G100 Q101P95-S98 PolarHBondContact O-N 3.31Å; S98-G100 PolarHBondContact O-N 3.3Å; S98-Q101 VanDerWaalsContact CB-CD 3.43Å; S98-Q101 PolarHBondContact O-N 3.11Å
99R67Low84.5Confident148 Ų14839.3 Ų39.356%0.55822%0.218SC*.THydrogen-bonded Turntrans-62.6126.1177-66.1-171.7-174.2-159.83.1111L97 R145L97-R99 PolarHBondContact O-N 3.08Å; R99-R145 PolarHBondContact O-NH2 3.16Å
100G64.3Low84.5Confident87 Ų8739.4 Ų39.490%0.89722%0.219SC*.THydrogen-bonded Turntrans90.44.9176.200000115.6S98S98-G100 PolarHBondContact O-N 3.3Å
101Q67.8Low84.7Confident39 Ų3938 Ų3818%0.18221%0.213CC..SBendtrans-101.1167.9174.6-72.2172.16.400112.4P95 S98 R103 Y1183 L1184P95-Q101 PolarHBondContact O-OE1 2.72Å; S98-Q101 VanDerWaalsContact CB-CD 3.43Å; S98-Q101 PolarHBondContact O-N 3.11Å; Q101-R103 PolarHBondContact O-N 2.9Å; Q101-Y1183 PolarHBondContact NE2-O 2.73Å; Q101-L1184 VanDerWaalsContact NE2-C 3.3Å; Q101-L1184 VanDerWaalsContact NE2-CA 3.31Å; Q101-L1184 PolarHBondContact OE1-O 3.26Å; Q101-L1184 VanDerWaalsContact OE1-O 3.08Å
102T69.5Low84.8Confident86 Ų8638.3 Ų38.353%0.52821%0.214SC..  trans-68.3111.1171.342.80000110.2L96 C104L96-T102 WeakPolarHBondContact CD2-O 3.45Å; T102-C104 PolarHBondContact O-N 3.02Å
103R83.6Confident85Confident65 Ų6537 Ų3725%0.24521%0.207CC..SBendtrans-74.326.5173.6-55.4-170.8173.7175.5-12.7113.7Q101 R127 V128 V130Q101-R103 PolarHBondContact O-N 2.9Å; R103-R127 CarbonylContact O-C 3.54Å; R103-R127 VanDerWaalsContact O-CA 3.29Å; R103-R127 WeakPolarHBondContact O-CA 3.18Å; R103-V128 VanDerWaalsContact CB-O 3.31Å; R103-V128 WeakPolarHBondContact CB-O 3.39Å; R103-V128 WeakPolarHBondContact CD-O 3.45Å; R103-V128 PolarHBondContact O-N 3.02Å; R103-V130 PolarHBondContact NH1-O 3.16Å; R103-V130 PolarHBondContact NH2-O 2.93Å
104C87.4Confident85Confident65 Ų6536.9 Ų36.944%0.43921%0.207SC..EExtended strand (participates in β ladder)trans-134.6138.5-176.6-61.30000108.9T102 I126T102-C104 PolarHBondContact O-N 3.02Å; C104-I126 CarbonylContact C-O 3.55Å; C104-I126 VanDerWaalsContact CA-O 3.26Å; C104-I126 WeakPolarHBondContact CA-O 3.35Å
105L88.9Confident85Confident9 Ų937.7 Ų37.75%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-127.9133.1174.9161.8154.9000107.3F91 L96 F109 A125 I126 S1225 L1226F91-L105 HydrophobicContact CD1-CD1 3.95Å; F91-L105 HydrophobicContact CD1-CD2 4.09Å; F91-L105 HydrophobicContact CE1-CD1 3.99Å; F91-L105 HydrophobicContact CE1-CD2 3.67Å; F91-L105 HydrophobicContact CZ-CD2 4.44Å; L96-L105 HydrophobicContact CD1-CB 4.33Å; L96-L105 HydrophobicContact CD2-CB 4.2Å; L105-F109 HydrophobicContact CD1-CE1 4.43Å; L105-F109 HydrophobicContact CD1-CZ 4.24Å; L105-F109 HydrophobicContact CD2-CE1 4.23Å; L105-F109 HydrophobicContact CD2-CE2 3.88Å; L105-F109 HydrophobicContact CD2-CZ 3.38Å; L105-F109 HydrophobicContact CG-CZ 3.85Å; L105-A125 WeakPolarHBondContact O-CA 3.45Å; L105-I126 HydrophobicContact CD2-CB 4Å; L105-I126 HydrophobicContact CD2-CD1 3.7Å; L105-I126 HydrophobicContact CD2-CG1 4.16Å; L105-I126 PolarHBondContact N-O 3.5Å; L105-I126 PolarHBondContact O-N 2.92Å; L105-S1225 WeakPolarHBondContact CD1-OG 3.4Å; L105-S1225 WeakPolarHBondContact CG-OG 3.48Å; L105-L1226 HydrophobicContact CB-CD2 4.08Å; L105-L1226 HydrophobicContact CD1-CD2 3.96Å; L105-L1226 HydrophobicContact CD1-CG 4.1Å; L105-L1226 HydrophobicContact CG-CD2 4.5Å
106N91.1Very high85.2Confident98 Ų9842.2 Ų42.252%0.52423%0.231SC..EExtended strand (participates in β ladder)trans-149.1131.2-177.5-176.9-0.2000109.9L124 S1225N106-L124 WeakPolarHBondContact CA-O 3.42Å; N106-L124 PolarHBondContact OD1-O 3.25Å; N106-S1225 PolarHBondContact N-O 3.47Å
107G92.9Very high85.5Confident17 Ų1742 Ų4218%0.17523%0.229CC..EExtended strand (participates in β ladder)trans167.6-173.8178.200000114F109 C123 L124G107-F109 WeakPolarHBondContact O-CD2 3.24Å; G107-F109 VanDerWaalsContact O-CE2 3.24Å; G107-F109 WeakPolarHBondContact O-CE2 3.34Å; G107-C123 WeakPolarHBondContact O-CA 3.43Å; G107-L124 PolarHBondContact N-O 3.27Å; G107-L124 PolarHBondContact O-N 3.46Å; G107-L124 VanDerWaalsContact O-N 3.08Å
108W94Very high86Confident86 Ų8644.5 Ų44.533%0.32624%0.243SC..EExtended strand (participates in β ladder)trans-91.1130.7168-70.393.1000109.5S11 R13 E121 I122 C123S11-W108 WeakPolarHBondContact OG-CH2 3.31Å; R13-W108 HydrophobicContact CB-CH2 4.06Å; R13-W108 HydrophobicContact CB-CZ3 3.88Å; R13-W108 HydrophobicContact CG-CE3 3.88Å; R13-W108 HydrophobicContact CG-CH2 3.9Å; R13-W108 HydrophobicContact CG-CZ3 3.43Å; R13-W108 VanDerWaalsContact CG-CZ3 3.43Å; W108-E121 HydrophobicContact CE3-CB 3.87Å; W108-I122 CarbonylContact C-O 3.46Å; W108-I122 WeakPolarHBondContact CA-O 3.27Å; W108-C123 HydrophobicContact CD2-CB 3.83Å; W108-C123 HydrophobicContact CE3-CB 3.74Å; W108-C123 HydrophobicContact CH2-CB 3.73Å; W108-C123 HydrophobicContact CZ2-CB 3.81Å; W108-C123 HydrophobicContact CZ3-CB 3.68Å
109F95.4Very high87.1Confident0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-119.2127.8-179.3-62.1-80.8000110.1V89 F91 L105 G107 I111 E121 I122 L124 S1225V89-F109 HydrophobicContact CG1-CB 3.99Å; V89-F109 HydrophobicContact CG1-CG 4.46Å; V89-F109 HydrophobicContact CG2-CB 4.26Å; F91-F109 AromaticContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD1 3.7Å; F91-F109 HydrophobicContact CE1-CD2 4.31Å; F91-F109 AromaticContact CE1-CE1 3.5Å; F91-F109 HydrophobicContact CE1-CE1 3.5Å; F91-F109 HydrophobicContact CE1-CE2 4.13Å; F91-F109 HydrophobicContact CE1-CG 4.12Å; F91-F109 AromaticContact CE1-CZ 3.74Å; F91-F109 HydrophobicContact CE1-CZ 3.74Å; F91-F109 HydrophobicContact CZ-CB 4.36Å; F91-F109 AromaticContact CZ-CD1 3.69Å; F91-F109 HydrophobicContact CZ-CD1 3.69Å; F91-F109 AromaticContact CZ-CD2 3.78Å; F91-F109 HydrophobicContact CZ-CD2 3.78Å; F91-F109 AromaticContact CZ-CE1 3.91Å; F91-F109 HydrophobicContact CZ-CE1 3.91Å; F91-F109 AromaticContact CZ-CE2 3.98Å; F91-F109 HydrophobicContact CZ-CE2 3.98Å; F91-F109 AromaticContact CZ-CG 3.64Å; F91-F109 HydrophobicContact CZ-CG 3.64Å; F91-F109 HydrophobicContact CZ-CZ 4.05Å; L105-F109 HydrophobicContact CD1-CE1 4.43Å; L105-F109 HydrophobicContact CD1-CZ 4.24Å; L105-F109 HydrophobicContact CD2-CE1 4.23Å; L105-F109 HydrophobicContact CD2-CE2 3.88Å; L105-F109 HydrophobicContact CD2-CZ 3.38Å; L105-F109 HydrophobicContact CG-CZ 3.85Å; G107-F109 WeakPolarHBondContact O-CD2 3.24Å; G107-F109 VanDerWaalsContact O-CE2 3.24Å; G107-F109 WeakPolarHBondContact O-CE2 3.34Å; F109-I111 PolarHBondContact O-N 2.69Å; F109-E121 CarbonylContact O-C 3.55Å; F109-E121 WeakPolarHBondContact O-CA 3.46Å; F109-I122 HydrophobicContact CB-CG2 4.12Å; F109-I122 PolarHBondContact N-O 2.81Å; F109-I122 PolarHBondContact O-N 2.93Å; F109-L124 HydrophobicContact CD2-CB 4.09Å; F109-L124 HydrophobicContact CD2-CD1 4.07Å; F109-L124 HydrophobicContact CD2-CG 4.25Å; F109-L124 HydrophobicContact CE2-CB 4.05Å; F109-S1225 VanDerWaalsContact CE1-CB 3.49Å; F109-S1225 WeakPolarHBondContact CE1-OG 2.98Å; F109-S1225 VanDerWaalsContact CZ-OG 3.32Å; F109-S1225 WeakPolarHBondContact CZ-OG 3.46Å
110P96.2Very high88.4Confident7 Ų740.1 Ų40.15%0.04523%0.227CC..EExtended strand (participates in β ladder)trans-60.2126172.5-21.332.6000110.5Y112 I118 V1218 A1221P110-Y112 PolarHBondContact O-N 3.03Å; P110-I118 HydrophobicContact CB-CD1 4.06Å; P110-I118 HydrophobicContact CB-CG1 4.12Å; P110-I118 HydrophobicContact CB-CG2 3.93Å; P110-V1218 HydrophobicContact CB-CG2 4.07Å; P110-V1218 HydrophobicContact CG-CG2 4.4Å; P110-A1221 HydrophobicContact CG-CB 4.18Å
111I96.3Very high89.9Confident0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-77.3120.6173.7-60.5162000106.5L15 V74 G87 V89 F109 I118 R119 G120 I122L15-I111 HydrophobicContact CD2-CD1 3.39Å; V74-I111 HydrophobicContact CB-CG2 4.4Å; V74-I111 HydrophobicContact CG2-CD1 3.96Å; V74-I111 HydrophobicContact CG2-CG1 4.15Å; V74-I111 HydrophobicContact CG2-CG2 4.21Å; G87-I111 VanDerWaalsContact C-CG2 3.48Å; V89-I111 HydrophobicContact CG2-CG1 4.49Å; F109-I111 PolarHBondContact O-N 2.69Å; I111-I118 CarbonylContact O-C 3.53Å; I111-I118 WeakPolarHBondContact O-CA 3.37Å; I111-R119 HydrophobicContact CG2-CB 4.42Å; I111-R119 PolarHBondContact O-N 2.94Å; I111-G120 PolarHBondContact N-O 2.8Å; I111-I122 HydrophobicContact CD1-CB 4.14Å; I111-I122 HydrophobicContact CG1-CB 4.03Å; I111-I122 HydrophobicContact CG1-CG2 3.99Å
112Y94.1Very high91.3Very high11 Ų1136.7 Ų36.74%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-110.5134.1-174.8-177.5-93.4000112G87 R88 P110 F1191 V1192 R1193 E1214 V1218G87-Y112 WeakPolarHBondContact CA-O 3.46Å; R88-Y112 VanDerWaalsContact CG-O 3.24Å; R88-Y112 WeakPolarHBondContact CG-O 3.17Å; R88-Y112 PolarHBondContact N-O 3.03Å; R88-Y112 PolarHBondContact O-N 2.83Å; P110-Y112 PolarHBondContact O-N 3.03Å; Y112-F1191 HydrophobicContact CD1-CD1 4.37Å; Y112-F1191 HydrophobicContact CE1-CD1 4.04Å; Y112-F1191 HydrophobicContact CE2-CD1 4.36Å; Y112-V1192 PolarHBondContact OH-O 2.91Å; Y112-R1193 WeakPolarHBondContact OH-CD 3.44Å; Y112-E1214 HydrophobicContact CE2-CB 4.31Å; Y112-V1218 HydrophobicContact CD2-CG2 4.5Å
113D91.9Very high92.6Very high5 Ų533.3 Ų33.33%0.02717%0.168CC..EExtended strand (participates in β ladder)trans-120.4143.6171.9171.749000110.6M115 H116 G117 R119 R186D113-M115 VanDerWaalsContact C-N 3.31Å; D113-M115 PolarHBondContact O-N 2.66Å; D113-M115 WeakPolarHBondContact OD2-CB 3.37Å; D113-M115 PolarHBondContact OD2-N 3.05Å; D113-M115 VanDerWaalsContact OD2-N 3.14Å; D113-H116 WeakPolarHBondContact OD2-CB 3.21Å; D113-H116 IonicContact OD2-CD2 2.69Å; D113-H116 PolarHBondContact OD2-CD2 2.96Å; D113-H116 VanDerWaalsContact OD2-CD2 3.3Å; D113-H116 IonicContact OD2-CG 3.88Å; D113-H116 PolarHBondContact OD2-N 2.66Å; D113-G117 PolarHBondContact N-O 2.83Å; D113-G117 WeakPolarHBondContact O-CA 3.19Å; D113-G117 PolarHBondContact O-N 3.08Å; D113-R119 HydrophobicContact CB-CG 4.02Å; D113-R186 IonicContact OD1-CZ 2.76Å; D113-R186 IonicContact OD1-NE 3.72Å; D113-R186 PolarHBondContact OD1-NE 2.84Å; D113-R186 IonicContact OD1-NH1 3.81Å; D113-R186 IonicContact OD1-NH2 2.65Å; D113-R186 PolarHBondContact OD1-NH2 2.91Å; D113-R186 IonicContact OD2-CZ 3.89Å; D113-R186 IonicContact OD2-NH2 2.64Å; D113-R186 PolarHBondContact OD2-NH2 3.38Å
114T89.7Confident93.2Very high0 Ų030.2 Ų30.20%016%0.156CC..THydrogen-bonded Turntrans-66.9-32.3-177.5620000112.5N189 R1193 E1194T114-N189 HydrophobicContact CG2-CB 4.13Å; T114-R1193 PolarHBondContact O-NH1 2.93Å; T114-E1194 PolarHBondContact O-N 3.37Å; T114-E1194 VanDerWaalsContact O-O 3.12Å
115M87Confident93.6Very high35 Ų3527.7 Ų27.717%0.17214%0.14CC..THydrogen-bonded Turntrans-90.1-35.9-177.2-55.2-55.9-58.300113.1D113 R1193 E1194 T1196D113-M115 VanDerWaalsContact C-N 3.31Å; D113-M115 PolarHBondContact O-N 2.66Å; D113-M115 WeakPolarHBondContact OD2-CB 3.37Å; D113-M115 PolarHBondContact OD2-N 3.05Å; D113-M115 VanDerWaalsContact OD2-N 3.14Å; M115-R1193 PolarHBondContact O-NH1 2.71Å; M115-E1194 WeakPolarHBondContact CA-O 3Å; M115-E1194 HydrophobicContact CE-CB 4.22Å; M115-E1194 HydrophobicContact CE-CG 3.85Å; M115-E1194 HydrophobicContact SD-CB 3.71Å; M115-E1194 VanDerWaalsContact SD-CD 3.58Å; M115-E1194 HydrophobicContact SD-CG 3.83Å; M115-T1196 HydrophobicContact CE-CG2 3.99Å
116H90.2Very high93.9Very high101 Ų10127.4 Ų27.447%0.46814%0.139SC..THydrogen-bonded Turntrans-114.1-4.8-172-56.1-45.3000115.2D113 R119 R1193D113-H116 WeakPolarHBondContact OD2-CB 3.21Å; D113-H116 IonicContact OD2-CD2 2.69Å; D113-H116 PolarHBondContact OD2-CD2 2.96Å; D113-H116 VanDerWaalsContact OD2-CD2 3.3Å; D113-H116 IonicContact OD2-CG 3.88Å; D113-H116 PolarHBondContact OD2-N 2.66Å; H116-R119 HydrophobicContact CB-CG 4.19Å; H116-R1193 VanDerWaalsContact C-NH2 3.25Å
117G91.8Very high93.9Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans75.8-135.8179.200000111.7D113 R1193 E1214D113-G117 PolarHBondContact N-O 2.83Å; D113-G117 WeakPolarHBondContact O-CA 3.19Å; D113-G117 PolarHBondContact O-N 3.08Å; G117-R1193 VanDerWaalsContact N-CZ 3.3Å; G117-R1193 VanDerWaalsContact N-NH2 3.2Å; G117-E1214 VanDerWaalsContact CA-OE2 3.26Å; G117-E1214 WeakPolarHBondContact CA-OE2 3.48Å
118I94.4Very high93.7Very high62 Ų6227.2 Ų27.232%0.31813%0.125SC..EExtended strand (participates in β ladder)trans-75.5128-178.9-64171.7000111.2P110 I111 E1214 A1217P110-I118 HydrophobicContact CB-CD1 4.06Å; P110-I118 HydrophobicContact CB-CG1 4.12Å; P110-I118 HydrophobicContact CB-CG2 3.93Å; I111-I118 CarbonylContact O-C 3.53Å; I111-I118 WeakPolarHBondContact O-CA 3.37Å; I118-E1214 HydrophobicContact CD1-CB 4.15Å; I118-E1214 HydrophobicContact CD1-CG 4.25Å; I118-E1214 HydrophobicContact CG1-CB 4.25Å; I118-E1214 HydrophobicContact CG1-CG 4.23Å; I118-A1217 HydrophobicContact CD1-CB 3.91Å
119R95Very high93.4Very high57 Ų5724.4 Ų24.422%0.21512%0.117CC..EExtended strand (participates in β ladder)trans-125.548.6-171.2-64.7-72.8-87.3-179.95112P16 I86 I111 D113 H116P16-R119 VanDerWaalsContact CB-CZ 3.41Å; P16-R119 WeakPolarHBondContact CD-O 3.22Å; P16-R119 HydrophobicContact CG-CB 4.4Å; I86-R119 HydrophobicContact CG2-CB 4.26Å; I111-R119 HydrophobicContact CG2-CB 4.42Å; I111-R119 PolarHBondContact O-N 2.94Å; D113-R119 HydrophobicContact CB-CG 4.02Å; H116-R119 HydrophobicContact CB-CG 4.19Å
120G95.3Very high92.6Very high12 Ų1224.9 Ų24.912%0.12412%0.119CC..EExtended strand (participates in β ladder)trans90.5-165.6-174.600000112.3R13 N14 I111R13-G120 WeakPolarHBondContact O-CA 3.44Å; N14-G120 VanDerWaalsContact O-CA 3.23Å; N14-G120 WeakPolarHBondContact O-CA 3.26Å; I111-G120 PolarHBondContact N-O 2.8Å
121E96.3Very high91.4Very high54 Ų5430.6 Ų30.625%0.25214%0.144SC..EExtended strand (participates in β ladder)trans-137.3147.4-176.8-61.3175155.300111.7A12 R13 W108 F109A12-E121 CarbonylContact C-O 3.59Å; A12-E121 WeakPolarHBondContact CA-O 3.35Å; A12-E121 WeakPolarHBondContact CB-O 3.49Å; R13-E121 HydrophobicContact CG-CB 4.21Å; R13-E121 IonicContact CZ-OE2 3.63Å; R13-E121 PolarHBondContact N-O 2.64Å; R13-E121 IonicContact NE-OE2 3.77Å; R13-E121 PolarHBondContact NE-OE2 3.36Å; R13-E121 IonicContact NH2-OE2 2.64Å; R13-E121 PolarHBondContact NH2-OE2 2.91Å; R13-E121 PolarHBondContact O-N 2.87Å; W108-E121 HydrophobicContact CE3-CB 3.87Å; F109-E121 CarbonylContact O-C 3.55Å; F109-E121 WeakPolarHBondContact O-CA 3.46Å
122I97.1Very high89.7Confident0 Ų036.4 Ų36.40%017%0.174CC..EExtended strand (participates in β ladder)trans-117.5133.9176.8-169.2169.1000111V9 A12 V29 V74 V89 W108 F109 I111 L124V9-I122 HydrophobicContact CG1-CD1 4.12Å; A12-I122 HydrophobicContact CB-CB 4.39Å; A12-I122 HydrophobicContact CB-CG1 4.35Å; V29-I122 HydrophobicContact CG1-CD1 4.22Å; V29-I122 HydrophobicContact CG2-CD1 3.88Å; V74-I122 HydrophobicContact CG2-CD1 4.02Å; V89-I122 HydrophobicContact CG2-CG2 3.76Å; W108-I122 CarbonylContact C-O 3.46Å; W108-I122 WeakPolarHBondContact CA-O 3.27Å; F109-I122 HydrophobicContact CB-CG2 4.12Å; F109-I122 PolarHBondContact N-O 2.81Å; F109-I122 PolarHBondContact O-N 2.93Å; I111-I122 HydrophobicContact CD1-CB 4.14Å; I111-I122 HydrophobicContact CG1-CB 4.03Å; I111-I122 HydrophobicContact CG1-CG2 3.99Å; I122-L124 HydrophobicContact CD1-CD2 3.81Å; I122-L124 HydrophobicContact CD1-CG 4.37Å; I122-L124 HydrophobicContact CG1-CD2 3.81Å; I122-L124 HydrophobicContact CG1-CG 4.02Å; I122-L124 HydrophobicContact CG2-CD1 3.92Å; I122-L124 HydrophobicContact CG2-CG 4.11Å
123C96.7Very high87.8Confident15 Ų1541.8 Ų41.810%0.10120%0.204CC..EExtended strand (participates in β ladder)trans-94.2117.8176.5-170.70000109.8I10 S11 G107 W108I10-C123 HydrophobicContact CB-CB 4.23Å; I10-C123 WeakPolarHBondContact CB-O 3.42Å; I10-C123 PolarHBondContact N-O 3.28Å; S11-C123 PolarHBondContact O-N 3.16Å; G107-C123 WeakPolarHBondContact O-CA 3.43Å; W108-C123 HydrophobicContact CD2-CB 3.83Å; W108-C123 HydrophobicContact CE3-CB 3.74Å; W108-C123 HydrophobicContact CH2-CB 3.73Å; W108-C123 HydrophobicContact CZ2-CB 3.81Å; W108-C123 HydrophobicContact CZ3-CB 3.68Å
124L96.1Very high85.8Confident0 Ų046 Ų460%024%0.24CC..EExtended strand (participates in β ladder)trans-132.2147.9-172.5-60.6174.3000110.9V9 L72 F91 N106 G107 F109 I122V9-L124 HydrophobicContact CB-CD2 4.2Å; V9-L124 HydrophobicContact CG1-CD2 4.08Å; V9-L124 HydrophobicContact CG2-CD2 3.97Å; L72-L124 HydrophobicContact CD1-CD1 4.13Å; L72-L124 HydrophobicContact CD2-CD1 3.76Å; L72-L124 HydrophobicContact CD2-CD2 3.67Å; L72-L124 HydrophobicContact CD2-CG 4.38Å; L72-L124 HydrophobicContact CG-CD1 4.49Å; F91-L124 HydrophobicContact CE2-CD1 3.65Å; F91-L124 HydrophobicContact CZ-CD1 3.76Å; N106-L124 WeakPolarHBondContact CA-O 3.42Å; N106-L124 PolarHBondContact OD1-O 3.25Å; G107-L124 PolarHBondContact N-O 3.27Å; G107-L124 PolarHBondContact O-N 3.46Å; G107-L124 VanDerWaalsContact O-N 3.08Å; F109-L124 HydrophobicContact CD2-CB 4.09Å; F109-L124 HydrophobicContact CD2-CD1 4.07Å; F109-L124 HydrophobicContact CD2-CG 4.25Å; F109-L124 HydrophobicContact CE2-CB 4.05Å; I122-L124 HydrophobicContact CD1-CD2 3.81Å; I122-L124 HydrophobicContact CD1-CG 4.37Å; I122-L124 HydrophobicContact CG1-CD2 3.81Å; I122-L124 HydrophobicContact CG1-CG 4.02Å; I122-L124 HydrophobicContact CG2-CD1 3.92Å; I122-L124 HydrophobicContact CG2-CG 4.11Å
125A95Very high83.9Confident13 Ų1348.7 Ų48.711%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-121.4123.9161.700000109.5R8 I10 W55 L105R8-A125 HydrophobicContact CB-CB 4.35Å; R8-A125 PolarHBondContact N-O 2.82Å; R8-A125 PolarHBondContact O-N 3.02Å; I10-A125 HydrophobicContact CD1-CB 4.38Å; W55-A125 HydrophobicContact CH2-CB 3.96Å; W55-A125 HydrophobicContact CZ3-CB 4.46Å; W55-A125 WeakPolarHBondContact CZ3-O 3.26Å; L105-A125 WeakPolarHBondContact O-CA 3.45Å
126I94.7Very high82.1Confident3 Ų357.6 Ų57.62%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-118.1139.2178-65.6161.8000107.9V5 K6 V7 L70 F91 L96 C104 L105V5-I126 HydrophobicContact CG1-CG2 4.4Å; K6-I126 CarbonylContact O-C 3.56Å; K6-I126 WeakPolarHBondContact O-CA 3.18Å; V7-I126 HydrophobicContact CB-CG1 4.47Å; V7-I126 HydrophobicContact CG1-CG1 3.84Å; V7-I126 HydrophobicContact CG2-CG1 4.24Å; L70-I126 HydrophobicContact CD2-CD1 3.6Å; L70-I126 HydrophobicContact CD2-CG1 4.02Å; L70-I126 HydrophobicContact CD2-CG2 4.29Å; F91-I126 HydrophobicContact CB-CD1 4.45Å; F91-I126 HydrophobicContact CD1-CD1 3.81Å; F91-I126 HydrophobicContact CD2-CD1 3.78Å; F91-I126 HydrophobicContact CE1-CD1 3.95Å; F91-I126 HydrophobicContact CE2-CD1 3.91Å; F91-I126 HydrophobicContact CG-CD1 3.73Å; F91-I126 HydrophobicContact CZ-CD1 3.98Å; L96-I126 HydrophobicContact CD1-CG2 4.19Å; C104-I126 CarbonylContact C-O 3.55Å; C104-I126 VanDerWaalsContact CA-O 3.26Å; C104-I126 WeakPolarHBondContact CA-O 3.35Å; L105-I126 HydrophobicContact CD2-CB 4Å; L105-I126 HydrophobicContact CD2-CD1 3.7Å; L105-I126 HydrophobicContact CD2-CG1 4.16Å; L105-I126 PolarHBondContact N-O 3.5Å; L105-I126 PolarHBondContact O-N 2.92Å
127R91.7Very high80.1Confident110 Ų11062.6 Ų62.642%0.41531%0.306SS..EExtended strand (participates in β ladder)trans-138.4136.8175.8171.2175.6169.3169.3-1.1110.2K6 W55 R103 D129K6-R127 HydrophobicContact CB-CB 4.42Å; K6-R127 PolarHBondContact N-O 3.34Å; K6-R127 PolarHBondContact O-N 2.84Å; W55-R127 HydrophobicContact CH2-CB 4.34Å; W55-R127 HydrophobicContact CZ3-CB 4.22Å; R103-R127 CarbonylContact O-C 3.54Å; R103-R127 VanDerWaalsContact O-CA 3.29Å; R103-R127 WeakPolarHBondContact O-CA 3.18Å; R127-D129 IonicContact CZ-OD1 3.78Å; R127-D129 IonicContact CZ-OD2 3.21Å; R127-D129 IonicContact NE-OD1 3.72Å; R127-D129 PolarHBondContact NE-OD1 2.87Å; R127-D129 IonicContact NE-OD2 2.81Å; R127-D129 PolarHBondContact NE-OD2 3.44Å; R127-D129 IonicContact NH2-OD1 2.8Å; R127-D129 PolarHBondContact NH2-OD1 3.46Å; R127-D129 IonicContact NH2-OD2 2.74Å; R127-D129 PolarHBondContact NH2-OD2 2.82Å
128V89.8Confident78.5Confident0 Ų067.6 Ų67.60%033%0.329CS..EExtended strand (participates in β ladder)trans-113.1117.7175.5-172.60000110V5 L65 L93 L96 L97 R103 V130V5-V128 HydrophobicContact CG1-CG2 4.47Å; V5-V128 HydrophobicContact CG2-CG1 4.38Å; V5-V128 HydrophobicContact CG2-CG2 4.35Å; L65-V128 HydrophobicContact CD1-CG1 4.16Å; L93-V128 HydrophobicContact CD2-CG2 4.45Å; L96-V128 HydrophobicContact CB-CG2 4.02Å; L96-V128 HydrophobicContact CD1-CG2 3.81Å; L97-V128 HydrophobicContact CD2-CG1 3.94Å; R103-V128 VanDerWaalsContact CB-O 3.31Å; R103-V128 WeakPolarHBondContact CB-O 3.39Å; R103-V128 WeakPolarHBondContact CD-O 3.45Å; R103-V128 PolarHBondContact O-N 3.02Å; V128-V130 HydrophobicContact CG1-CG2 3.71Å
129D86.5Confident77.1Confident28 Ų2871.1 Ų71.115%0.1534%0.344CS..EExtended strand (participates in β ladder)trans-101.593.7173.9-72.2-38000109.3T4 K6 R127T4-D129 PolarHBondContact N-O 2.89Å; T4-D129 PolarHBondContact O-N 2.95Å; K6-D129 WeakPolarHBondContact CE-OD2 3.21Å; K6-D129 IonicContact NZ-OD2 3.16Å; K6-D129 PolarHBondContact NZ-OD2 2.79Å; R127-D129 IonicContact CZ-OD1 3.78Å; R127-D129 IonicContact CZ-OD2 3.21Å; R127-D129 IonicContact NE-OD1 3.72Å; R127-D129 PolarHBondContact NE-OD1 2.87Å; R127-D129 IonicContact NE-OD2 2.81Å; R127-D129 PolarHBondContact NE-OD2 3.44Å; R127-D129 IonicContact NH2-OD1 2.8Å; R127-D129 PolarHBondContact NH2-OD1 3.46Å; R127-D129 IonicContact NH2-OD2 2.74Å; R127-D129 PolarHBondContact NH2-OD2 2.82Å
130V78.8Confident75.9Confident9 Ų968.6 Ų68.66%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-92.3120.2172.2-161.60000109.6M1 L65 L97 R103 V128 L142M1-V130 HydrophobicContact SD-CG1 4.41Å; L65-V130 HydrophobicContact CD2-CG2 4.24Å; L97-V130 HydrophobicContact CD2-CG2 3.83Å; R103-V130 PolarHBondContact NH1-O 3.16Å; R103-V130 PolarHBondContact NH2-O 2.93Å; V128-V130 HydrophobicContact CG1-CG2 3.71Å; V130-L142 HydrophobicContact CG1-CD1 3.99Å
131F71.6Confident75.1Confident127 Ų12768.3 Ų68.356%0.55733%0.331SS*.PPolyproline II helixtrans-68.9137.7170-59.2-87.4000109.5M1 P2M1-F131 WeakPolarHBondContact CE-O 3.18Å; P2-F131 WeakPolarHBondContact O-CD2 3.42Å
132L59.1Low74.2Confident122 Ų12267.4 Ų67.464%0.63933%0.328SS*.PPolyproline II helixtrans-104124.5177.7-79.2161.1000108.8
133D54.4Low73.2Confident124 Ų12468.7 Ų68.766%0.66334%0.342SS*.  trans-153.5154.7-176.6-160.77.4000112.4M1 S135M1-D133 HydrophobicContact CE-CB 4.11Å; D133-S135 VanDerWaalsContact C-N 3.33Å; D133-S135 PolarHBondContact O-N 2.81Å
134A51.2Low72.9Confident95 Ų9568.6 Ų68.679%0.78534%0.34SS*.  trans-89.439.8-162.500000114.4
135S48.3Very low72.6Confident55 Ų5572.2 Ų72.239%0.38535%0.354SS..  trans-72131.518069.60000111.8D133 Y137 H138D133-S135 VanDerWaalsContact C-N 3.33Å; D133-S135 PolarHBondContact O-N 2.81Å; S135-Y137 PolarHBondContact O-N 3.18Å; S135-H138 PolarHBondContact O-CE1 3.4Å
136R49.6Very low72.6Confident222 Ų22272 Ų7284%0.83835%0.351SS*.SBendtrans-78.30.8-174.2-144.9-178.4-65.8-172.50.3114.3
137Y48.8Very low72.6Confident207 Ų20772.1 Ų72.181%0.81235%0.351SS*.  trans-126.383.1-176-63.7-80.6000109.4S135 Q139S135-Y137 PolarHBondContact O-N 3.18Å; Y137-Q139 PolarHBondContact O-N 3.04Å
138H58.9Low72.7Confident105 Ų10567 Ų6749%0.48633%0.332SS..  trans-78.1109.6177.2-71.9-37.3000110.9S135 S140 L209S135-H138 PolarHBondContact O-CE1 3.4Å; H138-S140 VanDerWaalsContact C-N 3.32Å; H138-L209 VanDerWaalsContact O-CD2 3.26Å; H138-L209 WeakPolarHBondContact O-CD2 3.36Å
139Q64.3Low72.8Confident136 Ų13667.1 Ų67.164%0.63633%0.332SS*.  trans-86.3-8160.1-70-172.8-5.800112.4Y137Y137-Q139 PolarHBondContact O-N 3.04Å
140S69.9Low72.9Confident4 Ų466.5 Ų66.53%0.02833%0.33CS..SBendtrans-98.9144.6175.9-173.70000112.1Q66 H138 L142 L209Q66-S140 PolarHBondContact OE1-OG 3.14Å; H138-S140 VanDerWaalsContact C-N 3.32Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 VanDerWaalsContact OG-CB 3.28Å; S140-L142 WeakPolarHBondContact OG-CB 3.36Å; S140-L142 VanDerWaalsContact OG-CD1 3.29Å; S140-L142 WeakPolarHBondContact OG-CD1 3.32Å; S140-L142 WeakPolarHBondContact OG-CG 3.44Å; S140-L142 PolarHBondContact OG-N 2.84Å; S140-L142 VanDerWaalsContact OG-N 3.1Å; S140-L209 WeakPolarHBondContact O-CD2 3.23Å
141S79.1Confident73.5Confident5 Ų567 Ų674%0.03533%0.333CS..  trans-87.512.5168.361.70000114.1Q66 G143 V144Q66-S141 PolarHBondContact NE2-OG 2.95Å; S141-G143 PolarHBondContact O-N 3.08Å; S141-V144 PolarHBondContact O-N 2.95Å
142L76.6Confident74.4Confident35 Ų3563 Ų6318%0.18332%0.318CS..THydrogen-bonded Turntrans-4690.7-179.9-93.5166.1000114.4M1 L97 V130 S140M1-L142 HydrophobicContact SD-CD1 4.45Å; L97-L142 HydrophobicContact CB-CD2 3.7Å; L97-L142 HydrophobicContact CD1-CD2 4.43Å; L97-L142 HydrophobicContact CD2-CD2 4.44Å; L97-L142 HydrophobicContact CG-CD2 4.4Å; V130-L142 HydrophobicContact CG1-CD1 3.99Å; S140-L142 VanDerWaalsContact C-N 3.27Å; S140-L142 VanDerWaalsContact OG-CB 3.28Å; S140-L142 WeakPolarHBondContact OG-CB 3.36Å; S140-L142 VanDerWaalsContact OG-CD1 3.29Å; S140-L142 WeakPolarHBondContact OG-CD1 3.32Å; S140-L142 WeakPolarHBondContact OG-CG 3.44Å; S140-L142 PolarHBondContact OG-N 2.84Å; S140-L142 VanDerWaalsContact OG-N 3.1Å
143G76.6Confident75.9Confident28 Ų2857.3 Ų57.329%0.28929%0.288SS..THydrogen-bonded Turntrans135.5-14.7178.900000114.8S141S141-G143 PolarHBondContact O-N 3.08Å
144V89.4Confident77.6Confident12 Ų1254.5 Ų54.57%0.07327%0.27CS..  trans-75.1136.5167.6-177.80000109.6S141 F146 G208 V211 L212 N217S141-V144 PolarHBondContact O-N 2.95Å; V144-F146 HydrophobicContact CB-CE2 4.32Å; V144-F146 HydrophobicContact CG1-CD2 4.3Å; V144-F146 HydrophobicContact CG1-CE2 3.87Å; V144-F146 HydrophobicContact CG1-CZ 4.4Å; V144-G208 WeakPolarHBondContact CG2-O 3.22Å; V144-V211 HydrophobicContact CG1-CB 4.14Å; V144-V211 HydrophobicContact CG1-CG1 3.87Å; V144-V211 HydrophobicContact CG1-CG2 4.4Å; V144-V211 HydrophobicContact CG2-CB 4.21Å; V144-V211 HydrophobicContact CG2-CG1 4.06Å; V144-L212 HydrophobicContact CG2-CD1 4.15Å; V144-L212 HydrophobicContact CG2-CD2 3.67Å; V144-L212 HydrophobicContact CG2-CG 3.52Å; V144-N217 WeakPolarHBondContact CA-O 3.31Å
145R90.6Very high79.3Confident76 Ų7651.7 Ų51.729%0.28725%0.251SS..EExtended strand (participates in β ladder)trans-105.7129171.3-64.5-177.6-179.1144.62.6110.6R99 Y147 N217 S218 L219R99-R145 PolarHBondContact O-NH2 3.16Å; R145-Y147 HydrophobicContact CB-CD2 4.24Å; R145-Y147 HydrophobicContact CB-CE2 3.55Å; R145-Y147 WeakPolarHBondContact CD-OH 3.18Å; R145-N217 PolarHBondContact N-O 2.93Å; R145-N217 VanDerWaalsContact N-O 3.13Å; R145-S218 CarbonylContact O-C 3.57Å; R145-S218 WeakPolarHBondContact O-CA 3.5Å; R145-S218 WeakPolarHBondContact O-CB 3.34Å; R145-L219 PolarHBondContact O-N 2.93Å
146F94.1Very high81.3Confident10 Ų1050.4 Ų50.44%0.04424%0.238CC..EExtended strand (participates in β ladder)trans-92.7140.3171.5-69.1-106.2000108.6V144 Q204 M207 L219 Y222 N1186V144-F146 HydrophobicContact CB-CE2 4.32Å; V144-F146 HydrophobicContact CG1-CD2 4.3Å; V144-F146 HydrophobicContact CG1-CE2 3.87Å; V144-F146 HydrophobicContact CG1-CZ 4.4Å; F146-Q204 HydrophobicContact CD1-CG 4.48Å; F146-Q204 HydrophobicContact CE1-CB 4.43Å; F146-Q204 HydrophobicContact CE1-CG 4.35Å; F146-Q204 HydrophobicContact CE2-CB 4.44Å; F146-Q204 HydrophobicContact CZ-CB 4.21Å; F146-Q204 WeakPolarHBondContact CZ-O 3.39Å; F146-M207 HydrophobicContact CE1-CB 4.06Å; F146-M207 HydrophobicContact CZ-CB 4.12Å; F146-L219 HydrophobicContact CD1-CB 4.14Å; F146-L219 HydrophobicContact CD1-CD2 3.64Å; F146-L219 HydrophobicContact CE1-CB 4.35Å; F146-L219 HydrophobicContact CE1-CD2 3.55Å; F146-Y222 HydrophobicContact CD1-CD1 4.18Å; F146-Y222 AromaticContact CD1-CD2 3.99Å; F146-Y222 HydrophobicContact CD1-CD2 3.99Å; F146-Y222 HydrophobicContact CD1-CE1 4.4Å; F146-Y222 HydrophobicContact CD1-CE2 4.2Å; F146-Y222 AromaticContact CD1-CG 3.97Å; F146-Y222 HydrophobicContact CD1-CG 3.97Å; F146-Y222 HydrophobicContact CE1-CD2 4.38Å; F146-Y222 HydrophobicContact CE1-CE2 4.35Å; F146-N1186 HydrophobicContact CB-CB 4.2Å
147Y95Very high83.3Confident5 Ų542.8 Ų42.82%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-134.4121.5178.2-67.9-83000109.1R145 C149 P153 L219 I220 G221 Y222 L245 Y1183 D1259R145-Y147 HydrophobicContact CB-CD2 4.24Å; R145-Y147 HydrophobicContact CB-CE2 3.55Å; R145-Y147 WeakPolarHBondContact CD-OH 3.18Å; Y147-C149 VanDerWaalsContact C-N 3.34Å; Y147-P153 HydrophobicContact CD1-CB 4.02Å; Y147-P153 HydrophobicContact CD1-CG 3.46Å; Y147-P153 VanDerWaalsContact CD1-CG 3.46Å; Y147-P153 HydrophobicContact CD2-CG 3.95Å; Y147-P153 HydrophobicContact CE1-CB 3.73Å; Y147-P153 HydrophobicContact CE1-CG 3.54Å; Y147-P153 HydrophobicContact CE2-CG 4.02Å; Y147-P153 HydrophobicContact CG-CG 3.67Å; Y147-L219 PolarHBondContact N-O 3.42Å; Y147-I220 HydrophobicContact CD2-CG1 4.49Å; Y147-G221 PolarHBondContact O-N 3.35Å; Y147-G221 VanDerWaalsContact O-N 3.09Å; Y147-Y222 PolarHBondContact O-N 3.21Å; Y147-L245 HydrophobicContact CD2-CD1 4.37Å; Y147-L245 HydrophobicContact CE2-CD1 3.81Å; Y147-Y1183 HydrophobicContact CD1-CD1 4.24Å; Y147-Y1183 HydrophobicContact CD1-CE1 4.43Å; Y147-Y1183 AromaticContact CE1-CD1 3.78Å; Y147-Y1183 HydrophobicContact CE1-CD1 3.78Å; Y147-Y1183 HydrophobicContact CE1-CD2 4.29Å; Y147-Y1183 HydrophobicContact CE1-CE1 4.21Å; Y147-Y1183 AromaticContact CE1-CG 3.82Å; Y147-Y1183 HydrophobicContact CE1-CG 3.82Å; Y147-D1259 WeakPolarHBondContact CA-OD1 3.46Å
148H93.7Very high85.2Confident3 Ų334.4 Ų34.41%0.01419%0.185CC..  trans-71.8-30.1170.9-73.4109.2000112.1C150 Y222 L1187 D1188 G1258 D1259H148-C150 PolarHBondContact O-N 3.04Å; H148-C150 PolarHBondContact O-SG 2.84Å; H148-Y222 AromaticContact CD2-CD1 3.93Å; H148-Y222 PolarHBondContact CD2-O 3.16Å; H148-Y222 AromaticContact NE2-CD1 3.44Å; H148-Y222 WeakPolarHBondContact NE2-CD1 3.18Å; H148-Y222 AromaticContact NE2-CE1 3.89Å; H148-L1187 PolarHBondContact CE1-O 3.2Å; H148-D1188 IonicContact CE1-OD1 2.78Å; H148-D1188 PolarHBondContact CE1-OD1 3.35Å; H148-D1188 IonicContact CE1-OD2 2.68Å; H148-D1188 PolarHBondContact CE1-OD2 2.89Å; H148-D1188 IonicContact NE2-OD1 2.81Å; H148-D1188 PolarHBondContact NE2-OD1 2.92Å; H148-D1188 VanDerWaalsContact NE2-OD1 3.09Å; H148-D1188 IonicContact NE2-OD2 2.61Å; H148-G1258 PolarHBondContact ND1-N 3.26Å; H148-G1258 PolarHBondContact ND1-O 2.96Å; H148-D1259 IonicContact CG-OD1 3.34Å; H148-D1259 PolarHBondContact N-OD1 3.21Å; H148-D1259 PolarHBondContact N-OD2 2.93Å; H148-D1259 IonicContact ND1-OD1 3.8Å
149C92Very high86.6Confident1 Ų131.7 Ų31.71%0.00717%0.174CC..  trans-56.6129.817758.80000111.1Y147 T151 I220 G221 S1233 D1259Y147-C149 VanDerWaalsContact C-N 3.34Å; C149-T151 HydrophobicContact CB-CG2 4.43Å; C149-T151 PolarHBondContact O-N 2.88Å; C149-T151 VanDerWaalsContact O-N 3.17Å; C149-I220 WeakPolarHBondContact O-CG2 3.35Å; C149-G221 PolarHBondContact O-N 3.38Å; C149-G221 VanDerWaalsContact O-N 3.13Å; C149-S1233 VanDerWaalsContact CA-OG 3.3Å; C149-S1233 WeakPolarHBondContact CA-OG 3.31Å; C149-S1233 VanDerWaalsContact CB-OG 3.28Å; C149-S1233 WeakPolarHBondContact CB-OG 3.4Å; C149-D1259 WeakPolarHBondContact CB-OD2 3.5Å; C149-D1259 PolarHBondContact N-OD2 3.28Å; C149-D1259 PolarHBondContact SG-OD2 3.08Å
150C89.9Confident87.7Confident15 Ų1526.3 Ų26.310%0.10115%0.151CC..SBendtrans-89.233.3-175-72.70000111.6H148 I302 S303 Q304H148-C150 PolarHBondContact O-N 3.04Å; H148-C150 PolarHBondContact O-SG 2.84Å; C150-I302 WeakPolarHBondContact O-CG2 3.4Å; C150-S303 WeakPolarHBondContact O-CA 3.47Å; C150-S303 PolarHBondContact O-N 2.82Å; C150-Q304 PolarHBondContact O-N 2.68Å
151T89.7Confident88.6Confident19 Ų1926.7 Ų26.712%0.11715%0.153CC..SBendtrans-153.2-179.6-175.1-167.30000110C149 P153 I220 Q304 S1173C149-T151 HydrophobicContact CB-CG2 4.43Å; C149-T151 PolarHBondContact O-N 2.88Å; C149-T151 VanDerWaalsContact O-N 3.17Å; T151-P153 WeakPolarHBondContact O-CD 3.42Å; T151-I220 VanDerWaalsContact O-CG2 3.29Å; T151-I220 WeakPolarHBondContact O-CG2 3.35Å; T151-Q304 VanDerWaalsContact CB-OE1 3.27Å; T151-Q304 PolarHBondContact OG1-OE1 2.84Å; T151-S1173 VanDerWaalsContact CG2-CB 3.42Å; T151-S1173 WeakPolarHBondContact CG2-OG 3.3Å
152I90.6Very high89Confident45 Ų4526.9 Ų26.923%0.23115%0.154CC..PPolyproline II helixtrans-71.8125.7174.2-64173.7000109.9Q154 F156 I158 L306I152-Q154 PolarHBondContact O-N 3.38Å; I152-F156 HydrophobicContact CG2-CB 4.35Å; I152-F156 WeakPolarHBondContact CG2-O 3.48Å; I152-I158 HydrophobicContact CD1-CD1 3.78Å; I152-I158 HydrophobicContact CD1-CG1 3.83Å; I152-I158 HydrophobicContact CG1-CD1 3.72Å; I152-I158 HydrophobicContact CG1-CG1 3.92Å; I152-L306 HydrophobicContact CD1-CD1 3.98Å; I152-L306 HydrophobicContact CD1-CD2 3.78Å; I152-L306 HydrophobicContact CD1-CG 4.45Å; I152-L306 HydrophobicContact CG1-CD1 4.26Å; I152-L306 HydrophobicContact CG1-CD2 3.69Å
153P91.7Very high89.5Confident1 Ų125.4 Ų25.41%0.00615%0.147CC..PPolyproline II helixtrans-57.3136.1173.4-23.332.5000112.2Y147 T151 G155 F156 L245 Y1183Y147-P153 HydrophobicContact CD1-CB 4.02Å; Y147-P153 HydrophobicContact CD1-CG 3.46Å; Y147-P153 VanDerWaalsContact CD1-CG 3.46Å; Y147-P153 HydrophobicContact CD2-CG 3.95Å; Y147-P153 HydrophobicContact CE1-CB 3.73Å; Y147-P153 HydrophobicContact CE1-CG 3.54Å; Y147-P153 HydrophobicContact CE2-CG 4.02Å; Y147-P153 HydrophobicContact CG-CG 3.67Å; T151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-G155 PolarHBondContact O-N 2.93Å; P153-F156 HydrophobicContact CB-CD2 3.94Å; P153-F156 WeakPolarHBondContact O-CB 3.44Å; P153-F156 PolarHBondContact O-N 2.92Å; P153-F156 VanDerWaalsContact O-N 3.09Å; P153-L245 HydrophobicContact CG-CD1 4.14Å; P153-Y1183 WeakPolarHBondContact CA-OH 3.44Å; P153-Y1183 HydrophobicContact CB-CD2 4.42Å; P153-Y1183 HydrophobicContact CB-CE1 4.29Å; P153-Y1183 HydrophobicContact CB-CE2 3.71Å
154Q88.8Confident90.3Very high65 Ų6525.1 Ų25.130%0.30414%0.137SC..THydrogen-bonded Turntrans-58.8135.5-174.1-164-175.420.100111.4I152 F156 T1178 V1180 Y1183I152-Q154 PolarHBondContact O-N 3.38Å; Q154-F156 VanDerWaalsContact C-N 3.32Å; Q154-T1178 PolarHBondContact NE2-O 3.38Å; Q154-V1180 HydrophobicContact CB-CB 4.35Å; Q154-V1180 HydrophobicContact CB-CG2 4.24Å; Q154-Y1183 PolarHBondContact N-OH 3.46Å
155G87Confident90.5Very high36 Ų3625.1 Ų25.137%0.37114%0.137SC..THydrogen-bonded Turntrans79.39.7-176.900000114.9P153 Y248P153-G155 PolarHBondContact O-N 2.93Å; G155-Y248 WeakPolarHBondContact O-CB 3.45Å; G155-Y248 PolarHBondContact O-N 3.43Å
156F91.1Very high90.7Very high29 Ų2923.2 Ų23.213%0.12713%0.132CC..EExtended strand (participates in β ladder)trans-114.2161.1168.4-66.8-93.2000111.9I152 P153 Q154 L245 K246 K247 Y1183I152-F156 HydrophobicContact CG2-CB 4.35Å; I152-F156 WeakPolarHBondContact CG2-O 3.48Å; P153-F156 HydrophobicContact CB-CD2 3.94Å; P153-F156 WeakPolarHBondContact O-CB 3.44Å; P153-F156 PolarHBondContact O-N 2.92Å; P153-F156 VanDerWaalsContact O-N 3.09Å; Q154-F156 VanDerWaalsContact C-N 3.32Å; F156-L245 HydrophobicContact CB-CD1 4.36Å; F156-L245 HydrophobicContact CB-CD2 4.33Å; F156-L245 HydrophobicContact CD1-CB 4.01Å; F156-L245 HydrophobicContact CD1-CD1 4.43Å; F156-L245 HydrophobicContact CG-CD1 4.38Å; F156-K246 CarbonylContact C-O 3.55Å; F156-K246 WeakPolarHBondContact CA-O 3.41Å; F156-K247 HydrophobicContact CD1-CB 4.44Å; F156-K247 HydrophobicContact CE1-CB 4.25Å; F156-Y1183 HydrophobicContact CD2-CE2 4.49Å; F156-Y1183 AromaticContact CE2-CD2 3.9Å; F156-Y1183 HydrophobicContact CE2-CD2 3.9Å; F156-Y1183 HydrophobicContact CE2-CE2 4.24Å
157V91.5Very high90.8Very high61 Ų6124.1 Ų24.137%0.3714%0.136SC..EExtended strand (participates in β ladder)trans-130144.5167.4-710000109.5D159 K246 Y248V157-D159 PolarHBondContact O-N 2.82Å; V157-K246 HydrophobicContact CG2-CB 4.23Å; V157-K246 PolarHBondContact N-O 3.48Å; V157-K246 PolarHBondContact O-N 3.43Å; V157-Y248 HydrophobicContact CG1-CD2 3.72Å; V157-Y248 HydrophobicContact CG1-CE2 4.48Å; V157-Y248 HydrophobicContact CG1-CG 4.48Å
158I89.6Confident90.8Very high31 Ų3124 Ų2416%0.15914%0.136CC..EExtended strand (participates in β ladder)trans-74.5120.5171.3-64175.9000108.4I152 S160 L161 V243 L245 L306 W388I152-I158 HydrophobicContact CD1-CD1 3.78Å; I152-I158 HydrophobicContact CD1-CG1 3.83Å; I152-I158 HydrophobicContact CG1-CD1 3.72Å; I152-I158 HydrophobicContact CG1-CG1 3.92Å; I158-S160 VanDerWaalsContact CG2-C 3.49Å; I158-L161 HydrophobicContact CG2-CB 4.31Å; I158-V243 HydrophobicContact CD1-CG1 4.17Å; I158-V243 HydrophobicContact CG1-CG1 4.42Å; I158-V243 HydrophobicContact CG2-CG1 4.49Å; I158-L245 HydrophobicContact CG1-CD2 3.76Å; I158-L306 HydrophobicContact CD1-CD1 3.7Å; I158-W388 HydrophobicContact CD1-CZ3 4.37Å
159D88Confident90.8Very high49 Ų4924 Ų2426%0.26214%0.136SC..EExtended strand (participates in β ladder)trans-90.2-34.9173.8-17462.3000111.7V157 R244 K246V157-D159 PolarHBondContact O-N 2.82Å; D159-R244 HydrophobicContact CB-CB 4.48Å; D159-R244 WeakPolarHBondContact CB-O 3.39Å; D159-R244 PolarHBondContact N-O 3.48Å; D159-R244 IonicContact OD2-CZ 2.68Å; D159-R244 IonicContact OD2-NE 3.77Å; D159-R244 PolarHBondContact OD2-NE 2.8Å; D159-R244 IonicContact OD2-NH2 3.45Å; D159-R244 PolarHBondContact OD2-NH2 2.9Å; D159-K246 HydrophobicContact CB-CD 3.82Å; D159-K246 HydrophobicContact CB-CG 3.95Å; D159-K246 WeakPolarHBondContact OD1-CD 3.34Å; D159-K246 VanDerWaalsContact OD1-CE 3.28Å; D159-K246 WeakPolarHBondContact OD1-CE 3.44Å; D159-K246 IonicContact OD1-NZ 2.83Å; D159-K246 PolarHBondContact OD1-NZ 2.94Å; D159-K246 WeakPolarHBondContact OD2-CE 3.22Å; D159-K246 IonicContact OD2-NZ 2.72Å; D159-K246 PolarHBondContact OD2-NZ 2.96Å
160S87.2Confident90.7Very high22 Ų2226.4 Ų26.415%0.15415%0.147CC..EExtended strand (participates in β ladder)trans-150.2129.7167.658.80000110.6I158 V243 R244I158-S160 VanDerWaalsContact CG2-C 3.49Å; S160-V243 WeakPolarHBondContact O-CA 3.32Å; S160-R244 PolarHBondContact N-O 2.94Å; S160-R244 PolarHBondContact O-N 2.81Å; S160-R244 WeakPolarHBondContact OG-CB 3.21Å
161L88.1Confident90.8Very high12 Ų1228.8 Ų28.86%0.06316%0.159CC..EExtended strand (participates in β ladder)trans-84.5122.6166.1-176.463.2000107.4I158 T241 V243 L292 L300 I302I158-L161 HydrophobicContact CG2-CB 4.31Å; L161-T241 HydrophobicContact CD1-CG2 3.73Å; L161-V243 HydrophobicContact CD1-CG1 3.69Å; L161-L292 HydrophobicContact CD2-CD1 4.19Å; L161-L292 HydrophobicContact CG-CD1 3.92Å; L161-L300 HydrophobicContact CD1-CD2 4Å; L161-L300 HydrophobicContact CD2-CD1 4.25Å; L161-L300 HydrophobicContact CD2-CD2 4.08Å; L161-L300 HydrophobicContact CG-CD2 4.29Å; L161-I302 HydrophobicContact CD1-CD1 4.42Å
162I87.3Confident90.7Very high10 Ų1032.6 Ų32.65%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-106.2-54.2-166.2-50.1177.6000111.2I214 A242I162-I214 HydrophobicContact CB-CD1 4.4Å; I162-I214 HydrophobicContact CG2-CB 4.07Å; I162-I214 HydrophobicContact CG2-CD1 3.77Å; I162-I214 HydrophobicContact CG2-CG1 3.93Å; I162-A242 HydrophobicContact CB-CB 4.44Å; I162-A242 WeakPolarHBondContact CB-O 3.28Å; I162-A242 PolarHBondContact N-O 2.93Å
163G86.8Confident90.4Very high3 Ų330.7 Ų30.73%0.03117%0.169CC..EExtended strand (participates in β ladder)trans160.1-171.8176.600000114.5A242G163-A242 PolarHBondContact N-O 2.94Å; G163-A242 PolarHBondContact O-N 3.35Å
164F93.6Very high89.9Confident22 Ų2231.1 Ų31.110%0.09617%0.172CC..EExtended strand (participates in β ladder)trans-73.7138.2177.8-172.7-121.9000111.8Q166 I239 F297 F299 T301 Y362F164-Q166 HydrophobicContact CD1-CB 4.37Å; F164-Q166 HydrophobicContact CE1-CB 3.7Å; F164-Q166 HydrophobicContact CE1-CG 4.06Å; F164-Q166 HydrophobicContact CZ-CB 4.08Å; F164-I239 HydrophobicContact CE2-CB 3.88Å; F164-I239 HydrophobicContact CE2-CG2 4.27Å; F164-I239 HydrophobicContact CZ-CB 3.9Å; F164-I239 HydrophobicContact CZ-CG2 3.75Å; F164-F297 HydrophobicContact CB-CB 4.4Å; F164-F297 WeakPolarHBondContact CB-O 3.32Å; F164-F297 HydrophobicContact CD1-CB 4.13Å; F164-F297 HydrophobicContact CD1-CD2 4.48Å; F164-F299 HydrophobicContact CB-CB 4.07Å; F164-F299 HydrophobicContact CD1-CB 4.49Å; F164-F299 HydrophobicContact CD1-CD2 4.13Å; F164-F299 HydrophobicContact CD2-CB 3.81Å; F164-F299 HydrophobicContact CE1-CD2 4.16Å; F164-F299 HydrophobicContact CE2-CB 4.34Å; F164-F299 HydrophobicContact CG-CB 3.9Å; F164-F299 HydrophobicContact CG-CD2 4.36Å; F164-F299 HydrophobicContact CZ-CD2 4.42Å; F164-T301 HydrophobicContact CE2-CG2 4.1Å; F164-Y362 AromaticContact CE2-CD1 3.8Å; F164-Y362 HydrophobicContact CE2-CD1 3.8Å; F164-Y362 HydrophobicContact CE2-CE1 4.04Å; F164-Y362 AromaticContact CZ-CD1 3.95Å; F164-Y362 HydrophobicContact CZ-CD1 3.95Å; F164-Y362 AromaticContact CZ-CE1 3.69Å; F164-Y362 HydrophobicContact CZ-CE1 3.69Å
165I95Very high89.2Confident12 Ų1231 Ų316%0.06217%0.171CC..EExtended strand (participates in β ladder)trans-122.5134.2168.7-71.4-60.5000108.9M207 K210 V211 I214 L219 I239 G240 A242I165-M207 HydrophobicContact CG2-CB 4.12Å; I165-M207 HydrophobicContact CG2-CE 3.88Å; I165-M207 HydrophobicContact CG2-CG 4.25Å; I165-K210 HydrophobicContact CD1-CB 3.84Å; I165-K210 HydrophobicContact CG2-CB 4.29Å; I165-V211 HydrophobicContact CG1-CG2 3.97Å; I165-V211 HydrophobicContact CG2-CG2 4.41Å; I165-I214 HydrophobicContact CD1-CD1 3.56Å; I165-I214 HydrophobicContact CG1-CD1 3.96Å; I165-L219 HydrophobicContact CB-CD1 3.87Å; I165-L219 HydrophobicContact CG1-CD1 4.31Å; I165-L219 HydrophobicContact CG2-CD1 4.28Å; I165-I239 CarbonylContact O-C 3.53Å; I165-I239 WeakPolarHBondContact O-CA 3.22Å; I165-G240 PolarHBondContact N-O 2.78Å; I165-G240 PolarHBondContact O-N 2.99Å; I165-A242 HydrophobicContact CG1-CB 3.71Å
166Q94.5Very high88.3Confident37 Ų3733.8 Ų33.817%0.17317%0.174CC..EExtended strand (participates in β ladder)trans-137.8147.8176.371.494.131.800110.9F164 K210 G238 I239F164-Q166 HydrophobicContact CD1-CB 4.37Å; F164-Q166 HydrophobicContact CE1-CB 3.7Å; F164-Q166 HydrophobicContact CE1-CG 4.06Å; F164-Q166 HydrophobicContact CZ-CB 4.08Å; Q166-K210 PolarHBondContact O-NZ 3.36Å; Q166-G238 CarbonylContact C-O 3.59Å; Q166-G238 VanDerWaalsContact CA-O 3.31Å; Q166-G238 WeakPolarHBondContact CA-O 3.29Å; Q166-I239 HydrophobicContact CB-CG2 4.11Å
167E95.1Very high87.1Confident29 Ų2935.6 Ų35.614%0.13618%0.183CC..EExtended strand (participates in β ladder)trans-149.7151.5173-166.169.1-85.100110.4L203 K206 M207 K210 G238E167-L203 HydrophobicContact CB-CD1 3.81Å; E167-L203 HydrophobicContact CG-CD1 3.86Å; E167-K206 HydrophobicContact CG-CB 3.73Å; E167-K206 HydrophobicContact CG-CD 4.12Å; E167-K206 WeakPolarHBondContact OE2-CB 3.46Å; E167-M207 HydrophobicContact CB-CG 3.4Å; E167-M207 VanDerWaalsContact CB-CG 3.4Å; E167-M207 HydrophobicContact CB-SD 4.29Å; E167-M207 HydrophobicContact CG-CG 4.3Å; E167-K210 IonicContact OE1-NZ 3.68Å; E167-K210 PolarHBondContact OE1-NZ 2.96Å; E167-K210 WeakPolarHBondContact OE2-CD 3.31Å; E167-K210 WeakPolarHBondContact OE2-CE 3.36Å; E167-K210 IonicContact OE2-NZ 3.03Å; E167-K210 PolarHBondContact OE2-NZ 2.91Å; E167-G238 PolarHBondContact N-O 2.86Å; E167-G238 PolarHBondContact O-N 2.94Å
168L94.7Very high85.6Confident3 Ų341.8 Ų41.82%0.01620%0.2CC..EExtended strand (participates in β ladder)trans-132.4138.6174.7-167.4151.3000109.5V235 V236 R237 I333 R336 D337L168-V235 HydrophobicContact CD1-CG1 3.81Å; L168-V235 HydrophobicContact CD2-CG1 3.91Å; L168-V235 HydrophobicContact CG-CG1 3.86Å; L168-V236 WeakPolarHBondContact CA-O 3.34Å; L168-R237 HydrophobicContact CB-CG 4.47Å; L168-R237 HydrophobicContact CD1-CG 3.7Å; L168-R237 HydrophobicContact CG-CG 3.88Å; L168-I333 HydrophobicContact CD2-CB 4.33Å; L168-I333 HydrophobicContact CD2-CG1 4.21Å; L168-I333 HydrophobicContact CD2-CG2 3.9Å; L168-R336 HydrophobicContact CD1-CB 3.71Å; L168-R336 HydrophobicContact CD2-CB 4.25Å; L168-D337 WeakPolarHBondContact CB-OD1 3.48Å
169V94.2Very high84.2Confident2 Ų243 Ų431%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-130.5145.9166.2-57.80000109.3L199 E202 L203 K206 V236V169-L199 HydrophobicContact CG2-CB 4.19Å; V169-L199 HydrophobicContact CG2-CD2 4Å; V169-E202 HydrophobicContact CG1-CG 4.5Å; V169-L203 HydrophobicContact CG1-CD1 4.15Å; V169-L203 HydrophobicContact CG2-CD1 4.24Å; V169-K206 HydrophobicContact CG1-CD 3.84Å; V169-K206 VanDerWaalsContact CG1-NZ 3.27Å; V169-V236 HydrophobicContact CG2-CB 3.81Å; V169-V236 HydrophobicContact CG2-CG1 4.46Å; V169-V236 PolarHBondContact N-O 2.69Å; V169-V236 PolarHBondContact O-N 2.97Å
170M91.1Very high82.6Confident51 Ų5142.1 Ų42.125%0.25120%0.201SC..EExtended strand (participates in β ladder)trans-125.7153.1172.993.4-166.3-54.600110.5V234 V235 I333M170-V234 VanDerWaalsContact CA-O 3.31Å; M170-V234 WeakPolarHBondContact CA-O 3.35Å; M170-V235 HydrophobicContact CB-CG2 4Å; M170-V235 HydrophobicContact CE-CG2 4.2Å; M170-I333 HydrophobicContact CB-CG1 3.99Å; M170-I333 HydrophobicContact CG-CD1 4.32Å; M170-I333 HydrophobicContact CG-CG1 3.71Å; M170-I333 HydrophobicContact SD-CG1 3.74Å; M170-I333 PolarHBondContact SD-N 3.44Å
171N91.2Very high81.4Confident65 Ų6550.3 Ų50.335%0.34823%0.234SC..EExtended strand (participates in β ladder)trans-155.9163.7171.3-151.7-19.7000109.4L195 L199 G233 V234N171-L195 HydrophobicContact CB-CD1 4.16Å; N171-L195 HydrophobicContact CB-CD2 4.45Å; N171-L195 WeakPolarHBondContact ND2-CD1 3.45Å; N171-L199 HydrophobicContact CB-CD1 4.01Å; N171-L199 HydrophobicContact CB-CD2 4.06Å; N171-G233 WeakPolarHBondContact O-CA 3.45Å; N171-V234 PolarHBondContact N-O 2.8Å; N171-V234 VanDerWaalsContact N-O 3.07Å; N171-V234 PolarHBondContact O-N 3.49Å
172D86.9Confident80.2Confident99 Ų9956.1 Ų56.153%0.52926%0.263SS..  trans-67.1137.6176.4-54.1-30.5000110.1P174 L195D172-P174 WeakPolarHBondContact O-CD 3.43Å; D172-L195 VanDerWaalsContact O-CD2 3.31Å; D172-L195 WeakPolarHBondContact O-CD2 3.44Å
173D83.9Confident79.3Confident5 Ų560.1 Ų60.13%0.02728%0.278CS..  trans-72124.7170.1-162.5-38.2000108.5E175 H176 R192 V234D173-E175 PolarHBondContact O-N 3.12Å; D173-E175 WeakPolarHBondContact OD1-CB 3.24Å; D173-E175 PolarHBondContact OD1-N 2.91Å; D173-H176 PolarHBondContact O-N 3.41Å; D173-R192 WeakPolarHBondContact OD1-CD 3.4Å; D173-V234 HydrophobicContact CB-CG2 3.63Å; D173-V234 WeakPolarHBondContact OD2-CG2 3.44Å
174P81.3Confident78.7Confident10 Ų1064.6 Ų64.67%0.06530%0.304CS..G310 helixtrans-49.6-40.6171.3-29.938000112.4D172 H176 Q177 E180 A191 R192 L195D172-P174 WeakPolarHBondContact O-CD 3.43Å; P174-H176 PolarHBondContact O-N 3.11Å; P174-H176 VanDerWaalsContact O-N 3.1Å; P174-Q177 PolarHBondContact O-N 3.34Å; P174-E180 WeakPolarHBondContact O-CG 3.38Å; P174-A191 HydrophobicContact CB-CB 3.75Å; P174-A191 HydrophobicContact CG-CB 4.02Å; P174-R192 HydrophobicContact CG-CB 4.45Å; P174-L195 VanDerWaalsContact CD-CD2 3.47Å; P174-L195 HydrophobicContact CG-CB 4.44Å; P174-L195 HydrophobicContact CG-CD2 3.99Å
175E76.1Confident77.7Confident62 Ų6266.7 Ų66.729%0.2932%0.322SS..G310 helixtrans-61.3-20.4-175-171.7160.7-160.700114D173 R192D173-E175 PolarHBondContact O-N 3.12Å; D173-E175 WeakPolarHBondContact OD1-CB 3.24Å; D173-E175 PolarHBondContact OD1-N 2.91Å; E175-R192 IonicContact OE2-CZ 3.8Å; E175-R192 IonicContact OE2-NE 3.16Å; E175-R192 IonicContact OE2-NH1 3.95Å; E175-R192 PolarHBondContact OE2-NH1 2.82Å; E175-R192 IonicContact OE2-NH2 2.86Å; E175-R192 PolarHBondContact OE2-NH2 3.48Å
176H67.8Low76.8Confident95 Ų9568.8 Ų68.844%0.4433%0.329SS..G310 helixtrans-104.8-1.6178.9-68.9-82.2000114.3D173 P174 G230 E231D173-H176 PolarHBondContact O-N 3.41Å; P174-H176 PolarHBondContact O-N 3.11Å; P174-H176 VanDerWaalsContact O-N 3.1Å; H176-G230 VanDerWaalsContact CD2-C 3.43Å; H176-G230 PolarHBondContact CD2-O 3.14Å; H176-E231 HydrophobicContact CB-CG 4.42Å
177Q65.8Low76.1Confident68 Ų6868.7 Ų68.732%0.31834%0.335SS..SBendtrans-73.2145178.9-66.2-174-7.300112.1P174 I179 E180P174-Q177 PolarHBondContact O-N 3.34Å; Q177-I179 HydrophobicContact CB-CG2 4.02Å; Q177-I179 PolarHBondContact O-N 3.43Å; Q177-E180 HydrophobicContact CB-CG 4.43Å; Q177-E180 WeakPolarHBondContact O-CB 3.37Å; Q177-E180 WeakPolarHBondContact O-CG 3.43Å; Q177-E180 PolarHBondContact O-N 3.01Å
178W59.5Low75.4Confident191 Ų19167.7 Ų67.772%0.72333%0.331SS*.G310 helixtrans-55.3-28.7-178.671.9-89.3000114.3E180 K181 I182W178-E180 PolarHBondContact O-N 2.91Å; W178-K181 WeakPolarHBondContact O-CB 3.4Å; W178-K181 PolarHBondContact O-N 2.74Å; W178-I182 HydrophobicContact CZ3-CD1 3.9Å
179I60.2Low74.9Confident56 Ų5667.6 Ų67.629%0.28733%0.33SS..G310 helixtrans-67.1-19.1179.8-162.1163.7000112.8Q177 K181 I182 R183Q177-I179 HydrophobicContact CB-CG2 4.02Å; Q177-I179 PolarHBondContact O-N 3.43Å; I179-K181 PolarHBondContact O-N 2.88Å; I179-I182 PolarHBondContact O-N 2.84Å; I179-R183 VanDerWaalsContact CG2-CZ 3.5Å; I179-R183 PolarHBondContact O-N 2.92Å
180E55.4Low74.4Confident31 Ų3168.7 Ų68.715%0.14534%0.336CS..G310 helixtrans-59.6-33.9174.2-64.9-71.6111.700112.2P174 Q177 W178 I182 R183 S188P174-E180 WeakPolarHBondContact O-CG 3.38Å; Q177-E180 HydrophobicContact CB-CG 4.43Å; Q177-E180 WeakPolarHBondContact O-CB 3.37Å; Q177-E180 WeakPolarHBondContact O-CG 3.43Å; Q177-E180 PolarHBondContact O-N 3.01Å; W178-E180 PolarHBondContact O-N 2.91Å; E180-I182 PolarHBondContact O-N 3.05Å; E180-R183 PolarHBondContact O-N 2.81Å; E180-R183 WeakPolarHBondContact OE1-CD 3.3Å; E180-R183 IonicContact OE1-CZ 3.36Å; E180-R183 IonicContact OE1-NE 3.57Å; E180-R183 IonicContact OE1-NH1 2.66Å; E180-R183 PolarHBondContact OE1-NH1 2.9Å; E180-S188 WeakPolarHBondContact OE2-CB 3.47Å; E180-S188 PolarHBondContact OE2-OG 3.19Å
181K60.6Low74.2Confident194 Ų19467.5 Ų67.584%0.84333%0.334SS*.G310 helixtrans-60.8-10175.5-63.2179.2178.7175.10113.4W178 I179W178-K181 WeakPolarHBondContact O-CB 3.4Å; W178-K181 PolarHBondContact O-N 2.74Å; I179-K181 PolarHBondContact O-N 2.88Å
182I63.4Low74Confident134 Ų13464.5 Ų64.569%0.68732%0.317SS*.G310 helixtrans-117.7-16.7179.8-48.2176.6000111.2W178 I179 E180W178-I182 HydrophobicContact CZ3-CD1 3.9Å; I179-I182 PolarHBondContact O-N 2.84Å; E180-I182 PolarHBondContact O-N 3.05Å
183R68.7Low74.1Confident93 Ų9360 Ų6035%0.35129%0.293SS..SBendtrans-85.3158.7-179-75.5174.4175.2164.92.1112I179 E180 A187I179-R183 VanDerWaalsContact CG2-CZ 3.5Å; I179-R183 PolarHBondContact O-N 2.92Å; E180-R183 PolarHBondContact O-N 2.81Å; E180-R183 WeakPolarHBondContact OE1-CD 3.3Å; E180-R183 IonicContact OE1-CZ 3.36Å; E180-R183 IonicContact OE1-NE 3.57Å; E180-R183 IonicContact OE1-NH1 2.66Å; E180-R183 PolarHBondContact OE1-NH1 2.9Å; R183-A187 HydrophobicContact CB-CB 4.37Å
184T73.6Confident74.4Confident97 Ų9764.3 Ų64.360%0.59531%0.309SS*.  trans-82.7152.3166.661.70000110.2R186 A187 S188T184-R186 PolarHBondContact O-N 3.35Å; T184-R186 VanDerWaalsContact O-N 3.17Å; T184-A187 WeakPolarHBondContact O-CA 3.31Å; T184-A187 WeakPolarHBondContact O-CB 3.4Å; T184-A187 PolarHBondContact O-N 2.85Å; T184-A187 PolarHBondContact OG1-N 3.31Å; T184-S188 PolarHBondContact O-N 3.14Å
185S72.2Confident74.9Confident67 Ų6764.7 Ų64.747%0.46931%0.311SS..Hα-helixtrans-52.9-39.7177.2-35.60000112.2A187 S188 N189 E1194S185-A187 VanDerWaalsContact C-N 3.35Å; S185-A187 PolarHBondContact O-N 3.2Å; S185-S188 PolarHBondContact O-N 2.96Å; S185-N189 WeakPolarHBondContact O-CB 3.49Å; S185-N189 PolarHBondContact O-N 3.18Å; S185-N189 PolarHBondContact O-ND2 2.78Å; S185-N189 VanDerWaalsContact O-ND2 3.1Å; S185-E1194 VanDerWaalsContact CB-OE2 3.26Å; S185-E1194 WeakPolarHBondContact CB-OE2 3.15Å
186R77.4Confident75.6Confident55 Ų5562 Ų6221%0.20830%0.298CS..Hα-helixtrans-58.6-42174.6-178.2179.3-82.9-176.72112.4T85 D113 T184 E190T85-R186 PolarHBondContact O-NH1 3.49Å; T85-R186 PolarHBondContact OG1-NH1 2.92Å; D113-R186 IonicContact OD1-CZ 2.76Å; D113-R186 IonicContact OD1-NE 3.72Å; D113-R186 PolarHBondContact OD1-NE 2.84Å; D113-R186 IonicContact OD1-NH1 3.81Å; D113-R186 IonicContact OD1-NH2 2.65Å; D113-R186 PolarHBondContact OD1-NH2 2.91Å; D113-R186 IonicContact OD2-CZ 3.89Å; D113-R186 IonicContact OD2-NH2 2.64Å; D113-R186 PolarHBondContact OD2-NH2 3.38Å; T184-R186 PolarHBondContact O-N 3.35Å; T184-R186 VanDerWaalsContact O-N 3.17Å; R186-E190 VanDerWaalsContact O-CB 3.29Å; R186-E190 WeakPolarHBondContact O-CB 3.39Å; R186-E190 PolarHBondContact O-N 2.58Å
187A78.9Confident76.7Confident36 Ų3658.9 Ų58.930%0.29829%0.287SS..Hα-helixtrans-71.4-36.7179.400000112.6R183 T184 S185 E190 A191R183-A187 HydrophobicContact CB-CB 4.37Å; T184-A187 WeakPolarHBondContact O-CA 3.31Å; T184-A187 WeakPolarHBondContact O-CB 3.4Å; T184-A187 PolarHBondContact O-N 2.85Å; T184-A187 PolarHBondContact OG1-N 3.31Å; S185-A187 VanDerWaalsContact C-N 3.35Å; S185-A187 PolarHBondContact O-N 3.2Å; A187-E190 PolarHBondContact O-N 2.72Å; A187-A191 PolarHBondContact O-N 2.9Å
188S81.3Confident78Confident7 Ų760.1 Ų60.15%0.04929%0.289CS..Hα-helixtrans-62.3-56.3172176.40000111.9E180 T184 S185 E190 A191 R192E180-S188 WeakPolarHBondContact OE2-CB 3.47Å; E180-S188 PolarHBondContact OE2-OG 3.19Å; T184-S188 PolarHBondContact O-N 3.14Å; S185-S188 PolarHBondContact O-N 2.96Å; S188-E190 PolarHBondContact O-N 3.44Å; S188-E190 VanDerWaalsContact O-N 3.13Å; S188-A191 WeakPolarHBondContact O-CB 3.21Å; S188-A191 PolarHBondContact O-N 3.09Å; S188-R192 PolarHBondContact O-N 3.42Å
189N83.4Confident79.6Confident1 Ų151.2 Ų51.21%0.00526%0.255CS..Hα-helixtrans-54.8-34.1175-68.4-32.5000112.2T114 S185 Q193 V1192 E1194 Q1251T114-N189 HydrophobicContact CG2-CB 4.13Å; S185-N189 WeakPolarHBondContact O-CB 3.49Å; S185-N189 PolarHBondContact O-N 3.18Å; S185-N189 PolarHBondContact O-ND2 2.78Å; S185-N189 VanDerWaalsContact O-ND2 3.1Å; N189-Q193 WeakPolarHBondContact O-CG 3.48Å; N189-Q193 PolarHBondContact O-N 2.88Å; N189-Q193 VanDerWaalsContact O-N 3.13Å; N189-V1192 HydrophobicContact CB-CG1 4.13Å; N189-E1194 PolarHBondContact ND2-OE2 2.69Å; N189-Q1251 PolarHBondContact OD1-NE2 3Å
190E83.7Confident81.2Confident26 Ų2648.8 Ų48.812%0.12124%0.243CC..Hα-helixtrans-65.9-51.3171.9164.6147-130.500113.1K73 R88 R186 A187 S188 R192 Q193 R194K73-E190 WeakPolarHBondContact CE-OE1 3.22Å; K73-E190 VanDerWaalsContact CE-OE2 3.3Å; K73-E190 WeakPolarHBondContact CE-OE2 3.36Å; K73-E190 IonicContact NZ-OE1 2.77Å; K73-E190 PolarHBondContact NZ-OE1 3.33Å; K73-E190 IonicContact NZ-OE2 3.92Å; K73-E190 PolarHBondContact NZ-OE2 3.3Å; R88-E190 VanDerWaalsContact NH1-CA 3.27Å; R88-E190 VanDerWaalsContact NH1-CD 3.27Å; R88-E190 IonicContact NH1-OE1 3.65Å; R88-E190 PolarHBondContact NH1-OE1 3.05Å; R88-E190 VanDerWaalsContact NH1-OE1 3.16Å; R186-E190 VanDerWaalsContact O-CB 3.29Å; R186-E190 WeakPolarHBondContact O-CB 3.39Å; R186-E190 PolarHBondContact O-N 2.58Å; A187-E190 PolarHBondContact O-N 2.72Å; S188-E190 PolarHBondContact O-N 3.44Å; S188-E190 VanDerWaalsContact O-N 3.13Å; E190-R192 VanDerWaalsContact C-N 3.26Å; E190-R192 PolarHBondContact O-N 2.71Å; E190-Q193 PolarHBondContact O-N 2.85Å; E190-R194 WeakPolarHBondContact O-CG 3.3Å; E190-R194 PolarHBondContact O-N 2.85Å; E190-R194 VanDerWaalsContact O-N 3.09Å; E190-R194 IonicContact OE1-CZ 2.69Å; E190-R194 IonicContact OE1-NE 3.05Å; E190-R194 PolarHBondContact OE1-NE 2.96Å; E190-R194 VanDerWaalsContact OE1-NE 3.1Å; E190-R194 IonicContact OE1-NH2 3.68Å; E190-R194 PolarHBondContact OE1-NH2 3.4Å; E190-R194 IonicContact OE2-NH2 3.68Å
191A86.3Confident82.9Confident25 Ų2547.5 Ų47.521%0.20724%0.238CC..Hα-helixtrans-57.1-43.9178.800000111P174 A187 S188 R194 L195P174-A191 HydrophobicContact CB-CB 3.75Å; P174-A191 HydrophobicContact CG-CB 4.02Å; A187-A191 PolarHBondContact O-N 2.9Å; S188-A191 WeakPolarHBondContact O-CB 3.21Å; S188-A191 PolarHBondContact O-N 3.09Å; A191-R194 PolarHBondContact O-N 2.96Å; A191-L195 WeakPolarHBondContact O-CB 3.14Å; A191-L195 PolarHBondContact O-N 2.8Å
192R87.9Confident84.5Confident2 Ų239.5 Ų39.51%0.00820%0.204CC..Hα-helixtrans-66.3-44.5-179.9-165.217061.7167.2-13113.3D173 P174 E175 S188 E190 R194 L195 F196 Q1251D173-R192 WeakPolarHBondContact OD1-CD 3.4Å; P174-R192 HydrophobicContact CG-CB 4.45Å; E175-R192 IonicContact OE2-CZ 3.8Å; E175-R192 IonicContact OE2-NE 3.16Å; E175-R192 IonicContact OE2-NH1 3.95Å; E175-R192 PolarHBondContact OE2-NH1 2.82Å; E175-R192 IonicContact OE2-NH2 2.86Å; E175-R192 PolarHBondContact OE2-NH2 3.48Å; S188-R192 PolarHBondContact O-N 3.42Å; E190-R192 VanDerWaalsContact C-N 3.26Å; E190-R192 PolarHBondContact O-N 2.71Å; R192-R194 PolarHBondContact O-N 3.47Å; R192-L195 PolarHBondContact O-N 2.84Å; R192-F196 HydrophobicContact CG-CD1 4.19Å; R192-F196 HydrophobicContact CG-CD2 4.22Å; R192-F196 HydrophobicContact CG-CE1 3.57Å; R192-F196 HydrophobicContact CG-CE2 3.61Å; R192-F196 HydrophobicContact CG-CG 4.5Å; R192-F196 HydrophobicContact CG-CZ 3.26Å; R192-F196 WeakPolarHBondContact O-CD1 3.44Å; R192-F196 VanDerWaalsContact O-CG 3.29Å; R192-F196 WeakPolarHBondContact O-CG 3.39Å; R192-F196 PolarHBondContact O-N 2.87Å; R192-Q1251 VanDerWaalsContact NH2-NE2 3.19Å
193Q89.5Confident86Confident4 Ų433.1 Ų33.12%0.01917%0.171CC..Hα-helixtrans-58.8-43.8173.2-79.6-176.8900112.7R88 Y90 N189 E190 F196 S197 V1192R88-Q193 VanDerWaalsContact NH2-CD 3.27Å; Y90-Q193 HydrophobicContact CE2-CB 4.39Å; Y90-Q193 VanDerWaalsContact CE2-OE1 3.28Å; Y90-Q193 WeakPolarHBondContact OH-CB 3.48Å; N189-Q193 WeakPolarHBondContact O-CG 3.48Å; N189-Q193 PolarHBondContact O-N 2.88Å; N189-Q193 VanDerWaalsContact O-N 3.13Å; E190-Q193 PolarHBondContact O-N 2.85Å; Q193-F196 PolarHBondContact O-N 2.89Å; Q193-S197 WeakPolarHBondContact O-CB 3.48Å; Q193-S197 PolarHBondContact O-N 2.91Å; Q193-S197 VanDerWaalsContact O-N 3.09Å; Q193-V1192 HydrophobicContact CG-CB 4.14Å; Q193-V1192 HydrophobicContact CG-CG2 3.66Å; Q193-V1192 PolarHBondContact NE2-O 2.79Å
194R89.4Confident87.2Confident96 Ų9628.9 Ų28.936%0.36216%0.155SC..Hα-helixtrans-62.2-45.6176.7-68.9177.1-175.2-151.75.4111.3L71 K73 Y90 E190 A191 R192 R198L71-R194 HydrophobicContact CD2-CG 4.5Å; L71-R194 VanDerWaalsContact CD2-CZ 3.43Å; L71-R194 VanDerWaalsContact CD2-NH2 3.29Å; K73-R194 VanDerWaalsContact CE-NH2 3.3Å; Y90-R194 HydrophobicContact CE1-CG 4.04Å; Y90-R194 WeakPolarHBondContact OH-CG 3.24Å; E190-R194 WeakPolarHBondContact O-CG 3.3Å; E190-R194 PolarHBondContact O-N 2.85Å; E190-R194 VanDerWaalsContact O-N 3.09Å; E190-R194 IonicContact OE1-CZ 2.69Å; E190-R194 IonicContact OE1-NE 3.05Å; E190-R194 PolarHBondContact OE1-NE 2.96Å; E190-R194 VanDerWaalsContact OE1-NE 3.1Å; E190-R194 IonicContact OE1-NH2 3.68Å; E190-R194 PolarHBondContact OE1-NH2 3.4Å; E190-R194 IonicContact OE2-NH2 3.68Å; A191-R194 PolarHBondContact O-N 2.96Å; R192-R194 PolarHBondContact O-N 3.47Å; R194-R198 WeakPolarHBondContact O-CB 3.27Å; R194-R198 PolarHBondContact O-N 2.88Å
195L91.3Very high88.1Confident19 Ų1925.3 Ų25.310%0.09913%0.131CC..Hα-helixtrans-59.4-48178.1177.563.3000111N171 D172 P174 A191 R192 S197 R198 L199N171-L195 HydrophobicContact CB-CD1 4.16Å; N171-L195 HydrophobicContact CB-CD2 4.45Å; N171-L195 WeakPolarHBondContact ND2-CD1 3.45Å; D172-L195 VanDerWaalsContact O-CD2 3.31Å; D172-L195 WeakPolarHBondContact O-CD2 3.44Å; P174-L195 VanDerWaalsContact CD-CD2 3.47Å; P174-L195 HydrophobicContact CG-CB 4.44Å; P174-L195 HydrophobicContact CG-CD2 3.99Å; A191-L195 WeakPolarHBondContact O-CB 3.14Å; A191-L195 PolarHBondContact O-N 2.8Å; R192-L195 PolarHBondContact O-N 2.84Å; L195-S197 PolarHBondContact O-N 3.47Å; L195-R198 CarbonylContact O-C 3.58Å; L195-R198 PolarHBondContact O-N 3.09Å; L195-R198 VanDerWaalsContact O-N 3.11Å; L195-L199 HydrophobicContact CD1-CD1 3.85Å; L195-L199 HydrophobicContact CD1-CD2 4.19Å; L195-L199 HydrophobicContact CD1-CG 3.77Å; L195-L199 HydrophobicContact CD2-CD1 4.28Å; L195-L199 HydrophobicContact CG-CD1 3.8Å; L195-L199 HydrophobicContact CG-CG 4.11Å; L195-L199 WeakPolarHBondContact O-CG 3.38Å; L195-L199 PolarHBondContact O-N 3.48Å
196F91.9Very high89.1Confident4 Ų424.9 Ų24.92%0.01812%0.12CC..Hα-helixtrans-65.6-41.3-176.5-66.1-3.4000112.2R192 Q193 R198 L199 S200 F226 L228 V234 F1190 L1253R192-F196 HydrophobicContact CG-CD1 4.19Å; R192-F196 HydrophobicContact CG-CD2 4.22Å; R192-F196 HydrophobicContact CG-CE1 3.57Å; R192-F196 HydrophobicContact CG-CE2 3.61Å; R192-F196 HydrophobicContact CG-CG 4.5Å; R192-F196 HydrophobicContact CG-CZ 3.26Å; R192-F196 WeakPolarHBondContact O-CD1 3.44Å; R192-F196 VanDerWaalsContact O-CG 3.29Å; R192-F196 WeakPolarHBondContact O-CG 3.39Å; R192-F196 PolarHBondContact O-N 2.87Å; Q193-F196 PolarHBondContact O-N 2.89Å; F196-R198 VanDerWaalsContact C-N 3.29Å; F196-R198 PolarHBondContact O-N 3.02Å; F196-L199 PolarHBondContact O-N 3.03Å; F196-S200 WeakPolarHBondContact O-CB 3.38Å; F196-S200 PolarHBondContact O-N 3.31Å; F196-F226 HydrophobicContact CB-CD1 4.39Å; F196-F226 HydrophobicContact CB-CE1 3.57Å; F196-F226 HydrophobicContact CB-CZ 4.1Å; F196-F226 AromaticContact CD1-CD1 3.95Å; F196-F226 HydrophobicContact CD1-CD1 3.95Å; F196-F226 AromaticContact CD1-CE1 3.61Å; F196-F226 HydrophobicContact CD1-CE1 3.61Å; F196-F226 HydrophobicContact CD2-CD1 4.14Å; F196-F226 HydrophobicContact CD2-CE1 4.14Å; F196-F226 HydrophobicContact CE1-CD1 4.21Å; F196-F226 HydrophobicContact CE1-CE1 4.3Å; F196-F226 HydrophobicContact CE2-CD1 4.37Å; F196-F226 AromaticContact CG-CD1 3.92Å; F196-F226 HydrophobicContact CG-CD1 3.92Å; F196-F226 AromaticContact CG-CE1 3.51Å; F196-F226 HydrophobicContact CG-CE1 3.51Å; F196-F226 HydrophobicContact CG-CZ 4.48Å; F196-F226 HydrophobicContact CZ-CD1 4.4Å; F196-L228 HydrophobicContact CE1-CD2 4.47Å; F196-L228 HydrophobicContact CE2-CD2 4.4Å; F196-L228 HydrophobicContact CZ-CD2 3.69Å; F196-V234 HydrophobicContact CE1-CB 4.39Å; F196-V234 HydrophobicContact CE1-CG1 4.06Å; F196-V234 HydrophobicContact CE1-CG2 3.94Å; F196-V234 HydrophobicContact CZ-CG2 4.3Å; F196-F1190 HydrophobicContact CB-CB 4.09Å; F196-F1190 HydrophobicContact CB-CD1 4.03Å; F196-F1190 HydrophobicContact CB-CD2 4.11Å; F196-F1190 HydrophobicContact CB-CG 3.76Å; F196-F1190 HydrophobicContact CD2-CB 4.45Å; F196-F1190 AromaticContact CD2-CD1 3.81Å; F196-F1190 HydrophobicContact CD2-CD1 3.81Å; F196-F1190 HydrophobicContact CD2-CG 4.26Å; F196-F1190 HydrophobicContact CG-CD1 4.35Å; F196-L1253 HydrophobicContact CE2-CD2 4.03Å
197S90.9Very high89.9Confident30 Ų3022.2 Ų22.221%0.2111%0.111CC..Hα-helixtrans-58.8-41.9171.8-174.70000111.7A69 Q193 L195 G201A69-S197 VanDerWaalsContact CB-OG 3.26Å; A69-S197 WeakPolarHBondContact CB-OG 3.38Å; Q193-S197 WeakPolarHBondContact O-CB 3.48Å; Q193-S197 PolarHBondContact O-N 2.91Å; Q193-S197 VanDerWaalsContact O-N 3.09Å; L195-S197 PolarHBondContact O-N 3.47Å; S197-G201 PolarHBondContact O-N 2.73Å; S197-G201 VanDerWaalsContact O-N 3.12Å
198R93Very high90.6Very high95 Ų9520.5 Ų20.536%0.35810%0.096SC..Hα-helixtrans-69.7-42178.3173.5174.6166.5161.4-10.6113.8D67 E68 R194 L195 F196 S200 G201 E202D67-R198 WeakPolarHBondContact O-CA 3.49Å; D67-R198 WeakPolarHBondContact O-CG 3.48Å; E68-R198 WeakPolarHBondContact OE1-CD 3.45Å; E68-R198 IonicContact OE1-CZ 3.67Å; E68-R198 IonicContact OE1-NE 3.3Å; E68-R198 IonicContact OE1-NH1 3.29Å; E68-R198 PolarHBondContact OE1-NH1 2.86Å; R194-R198 WeakPolarHBondContact O-CB 3.27Å; R194-R198 PolarHBondContact O-N 2.88Å; L195-R198 CarbonylContact O-C 3.58Å; L195-R198 PolarHBondContact O-N 3.09Å; L195-R198 VanDerWaalsContact O-N 3.11Å; F196-R198 VanDerWaalsContact C-N 3.29Å; F196-R198 PolarHBondContact O-N 3.02Å; R198-S200 VanDerWaalsContact C-N 3.33Å; R198-G201 PolarHBondContact O-N 3.41Å; R198-E202 WeakPolarHBondContact O-CB 3.29Å; R198-E202 PolarHBondContact O-N 3.21Å
199L93.5Very high91Very high3 Ų321.7 Ų21.72%0.01610%0.102CC..Hα-helixtrans-66.4-37.4177.2-67.2178.6000111.3V169 N171 L195 F196 E202 L203 V236V169-L199 HydrophobicContact CG2-CB 4.19Å; V169-L199 HydrophobicContact CG2-CD2 4Å; N171-L199 HydrophobicContact CB-CD1 4.01Å; N171-L199 HydrophobicContact CB-CD2 4.06Å; L195-L199 HydrophobicContact CD1-CD1 3.85Å; L195-L199 HydrophobicContact CD1-CD2 4.19Å; L195-L199 HydrophobicContact CD1-CG 3.77Å; L195-L199 HydrophobicContact CD2-CD1 4.28Å; L195-L199 HydrophobicContact CG-CD1 3.8Å; L195-L199 HydrophobicContact CG-CG 4.11Å; L195-L199 WeakPolarHBondContact O-CG 3.38Å; L195-L199 PolarHBondContact O-N 3.48Å; F196-L199 PolarHBondContact O-N 3.03Å; L199-E202 PolarHBondContact O-N 2.9Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 PolarHBondContact O-N 3.27Å; L199-V236 HydrophobicContact CB-CB 4.48Å; L199-V236 HydrophobicContact CB-CG2 3.94Å; L199-V236 HydrophobicContact CD1-CG2 3.71Å; L199-V236 HydrophobicContact CG-CG2 4.46Å
200S93Very high91.5Very high5 Ų524.8 Ų24.84%0.03512%0.115CC..Hα-helixtrans-59.4-49171.6-174.10000111.6F196 R198 L203 Q204 L224F196-S200 WeakPolarHBondContact O-CB 3.38Å; F196-S200 PolarHBondContact O-N 3.31Å; R198-S200 VanDerWaalsContact C-N 3.33Å; S200-L203 PolarHBondContact O-N 3.47Å; S200-Q204 WeakPolarHBondContact O-CG 3.41Å; S200-Q204 PolarHBondContact O-N 2.89Å; S200-Q204 PolarHBondContact OG-NE2 2.95Å; S200-L224 WeakPolarHBondContact OG-CD2 3.42Å
201G92Very high91.9Very high4 Ų423.5 Ų23.54%0.04111%0.109CC..Hα-helixtrans-60.7-46.5176.400000113.5Q66 S197 R198 L203 Q204 R205Q66-G201 VanDerWaalsContact O-CA 3.29Å; Q66-G201 WeakPolarHBondContact O-CA 3.16Å; S197-G201 PolarHBondContact O-N 2.73Å; S197-G201 VanDerWaalsContact O-N 3.12Å; R198-G201 PolarHBondContact O-N 3.41Å; G201-L203 VanDerWaalsContact C-N 3.35Å; G201-L203 PolarHBondContact O-N 3.48Å; G201-Q204 PolarHBondContact O-N 3.19Å; G201-R205 PolarHBondContact O-N 2.93Å
202E93.4Very high92Very high26 Ų2625.1 Ų25.112%0.12111%0.114CC..Hα-helixtrans-61-42.3177.2179.8170.8146.100112.2R63 D67 V169 R198 L199 R205 K206R63-E202 IonicContact NH2-OE2 3.68Å; R63-E202 PolarHBondContact NH2-OE2 3.36Å; D67-E202 WeakPolarHBondContact OD1-CA 3.29Å; V169-E202 HydrophobicContact CG1-CG 4.5Å; R198-E202 WeakPolarHBondContact O-CB 3.29Å; R198-E202 PolarHBondContact O-N 3.21Å; L199-E202 PolarHBondContact O-N 2.9Å; E202-R205 PolarHBondContact O-N 2.84Å; E202-K206 HydrophobicContact CG-CD 4.14Å; E202-K206 WeakPolarHBondContact O-CB 3.3Å; E202-K206 WeakPolarHBondContact O-CG 3.42Å; E202-K206 PolarHBondContact O-N 3.22Å; E202-K206 VanDerWaalsContact OE1-CE 3.29Å; E202-K206 WeakPolarHBondContact OE1-CE 3.35Å; E202-K206 IonicContact OE1-NZ 3.19Å; E202-K206 PolarHBondContact OE1-NZ 2.98Å
203L94.5Very high92Very high0 Ų031.5 Ų31.50%015%0.149CC..Hα-helixtrans-65-48.5177.5-17285.1000111.4E167 V169 L199 S200 G201 R205 K206 M207 L224 V236E167-L203 HydrophobicContact CB-CD1 3.81Å; E167-L203 HydrophobicContact CG-CD1 3.86Å; V169-L203 HydrophobicContact CG1-CD1 4.15Å; V169-L203 HydrophobicContact CG2-CD1 4.24Å; L199-L203 WeakPolarHBondContact O-CB 3.37Å; L199-L203 PolarHBondContact O-N 3.27Å; S200-L203 PolarHBondContact O-N 3.47Å; G201-L203 VanDerWaalsContact C-N 3.35Å; G201-L203 PolarHBondContact O-N 3.48Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 2.94Å; L203-K206 PolarHBondContact O-N 2.83Å; L203-M207 HydrophobicContact CD2-SD 4.32Å; L203-M207 HydrophobicContact CG-SD 4.11Å; L203-M207 WeakPolarHBondContact O-CB 3.37Å; L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 3.5Å; L203-L224 HydrophobicContact CD2-CD1 3.39Å; L203-V236 HydrophobicContact CD2-CG1 4.02Å
204Q93.6Very high91.9Very high5 Ų534.3 Ų34.32%0.02316%0.163CC..Hα-helixtrans-59.5-40.2175.9-72.9-174.33600111.7F146 S200 G201 G208 Y222 N1186 D1188F146-Q204 HydrophobicContact CD1-CG 4.48Å; F146-Q204 HydrophobicContact CE1-CB 4.43Å; F146-Q204 HydrophobicContact CE1-CG 4.35Å; F146-Q204 HydrophobicContact CE2-CB 4.44Å; F146-Q204 HydrophobicContact CZ-CB 4.21Å; F146-Q204 WeakPolarHBondContact CZ-O 3.39Å; S200-Q204 WeakPolarHBondContact O-CG 3.41Å; S200-Q204 PolarHBondContact O-N 2.89Å; S200-Q204 PolarHBondContact OG-NE2 2.95Å; G201-Q204 PolarHBondContact O-N 3.19Å; Q204-G208 PolarHBondContact O-N 3.04Å; Q204-Y222 HydrophobicContact CG-CE1 4.36Å; Q204-Y222 WeakPolarHBondContact CG-OH 2.92Å; Q204-N1186 PolarHBondContact NE2-ND2 3.36Å; Q204-N1186 PolarHBondContact OE1-ND2 3.26Å; Q204-D1188 PolarHBondContact NE2-OD2 3.36Å
205R92.3Very high91.8Very high22 Ų2231.3 Ų31.38%0.08316%0.162CC..Hα-helixtrans-62.1-49.5174.4-176.4176.251.665.89.9111.5Q66 D67 G201 E202 L203 G208 L209Q66-R205 HydrophobicContact CB-CB 4.24Å; Q66-R205 HydrophobicContact CB-CG 4.49Å; D67-R205 IonicContact OD1-CZ 3.26Å; D67-R205 VanDerWaalsContact OD1-CZ 3.29Å; D67-R205 IonicContact OD1-NE 2.8Å; D67-R205 PolarHBondContact OD1-NE 2.93Å; D67-R205 IonicContact OD1-NH2 2.68Å; D67-R205 PolarHBondContact OD1-NH2 3.27Å; D67-R205 IonicContact OD2-CZ 3.63Å; D67-R205 IonicContact OD2-NE 3.01Å; D67-R205 IonicContact OD2-NH2 2.73Å; D67-R205 PolarHBondContact OD2-NH2 3.01Å; G201-R205 PolarHBondContact O-N 2.93Å; E202-R205 PolarHBondContact O-N 2.84Å; L203-R205 VanDerWaalsContact C-N 3.31Å; L203-R205 PolarHBondContact O-N 2.94Å; R205-G208 PolarHBondContact O-N 3.37Å; R205-L209 WeakPolarHBondContact O-CG 3.32Å; R205-L209 PolarHBondContact O-N 2.86Å
206K94.1Very high91.7Very high57 Ų5730.7 Ų30.725%0.24816%0.16CC..Hα-helixtrans-60.4-48.7179-77.9172.7165.9170.70112.5E167 V169 E202 L203 G208 L209 K210E167-K206 HydrophobicContact CG-CB 3.73Å; E167-K206 HydrophobicContact CG-CD 4.12Å; E167-K206 WeakPolarHBondContact OE2-CB 3.46Å; V169-K206 HydrophobicContact CG1-CD 3.84Å; V169-K206 VanDerWaalsContact CG1-NZ 3.27Å; E202-K206 HydrophobicContact CG-CD 4.14Å; E202-K206 WeakPolarHBondContact O-CB 3.3Å; E202-K206 WeakPolarHBondContact O-CG 3.42Å; E202-K206 PolarHBondContact O-N 3.22Å; E202-K206 VanDerWaalsContact OE1-CE 3.29Å; E202-K206 WeakPolarHBondContact OE1-CE 3.35Å; E202-K206 IonicContact OE1-NZ 3.19Å; E202-K206 PolarHBondContact OE1-NZ 2.98Å; L203-K206 PolarHBondContact O-N 2.83Å; K206-G208 VanDerWaalsContact C-N 3.34Å; K206-G208 PolarHBondContact O-N 2.75Å; K206-L209 WeakPolarHBondContact O-CB 3.43Å; K206-L209 PolarHBondContact O-N 3.05Å; K206-K210 PolarHBondContact O-N 3.18Å; K206-K210 VanDerWaalsContact O-N 3.08Å
207M94.5Very high91.7Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-60.6-42.3175-70.4-179.580.600112.1F146 I165 E167 L203 L209 K210 V211 L219 Y222 G238F146-M207 HydrophobicContact CE1-CB 4.06Å; F146-M207 HydrophobicContact CZ-CB 4.12Å; I165-M207 HydrophobicContact CG2-CB 4.12Å; I165-M207 HydrophobicContact CG2-CE 3.88Å; I165-M207 HydrophobicContact CG2-CG 4.25Å; E167-M207 HydrophobicContact CB-CG 3.4Å; E167-M207 VanDerWaalsContact CB-CG 3.4Å; E167-M207 HydrophobicContact CB-SD 4.29Å; E167-M207 HydrophobicContact CG-CG 4.3Å; L203-M207 HydrophobicContact CD2-SD 4.32Å; L203-M207 HydrophobicContact CG-SD 4.11Å; L203-M207 WeakPolarHBondContact O-CB 3.37Å; L203-M207 WeakPolarHBondContact O-CG 3.48Å; L203-M207 PolarHBondContact O-N 3.5Å; M207-L209 VanDerWaalsContact C-N 3.34Å; M207-L209 PolarHBondContact O-N 2.83Å; M207-K210 WeakPolarHBondContact O-CB 3.31Å; M207-K210 PolarHBondContact O-N 3.06Å; M207-K210 VanDerWaalsContact O-N 3.14Å; M207-V211 WeakPolarHBondContact O-CG2 3.45Å; M207-V211 PolarHBondContact O-N 2.97Å; M207-L219 HydrophobicContact CE-CD2 3.61Å; M207-Y222 HydrophobicContact CE-CD2 4.14Å; M207-Y222 HydrophobicContact CE-CE2 4.08Å; M207-Y222 HydrophobicContact SD-CD2 4.34Å; M207-Y222 HydrophobicContact SD-CE2 3.69Å; M207-G238 VanDerWaalsContact CE-O 3.3Å; M207-G238 WeakPolarHBondContact CE-O 3.44Å
208G92.8Very high91.9Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-65.6-35.917900000112.6V144 Q204 R205 K206 V211 L212V144-G208 WeakPolarHBondContact CG2-O 3.22Å; Q204-G208 PolarHBondContact O-N 3.04Å; R205-G208 PolarHBondContact O-N 3.37Å; K206-G208 VanDerWaalsContact C-N 3.34Å; K206-G208 PolarHBondContact O-N 2.75Å; G208-V211 PolarHBondContact O-N 3.47Å; G208-L212 WeakPolarHBondContact O-CG 3.46Å; G208-L212 PolarHBondContact O-N 3.42Å
209L90.9Very high92Very high31 Ų3127.3 Ų27.316%0.16215%0.147CC..Hα-helixtrans-62.1-44169.7-70.9172.8000111.7H138 S140 R205 K206 M207 V211 L212 N213H138-L209 VanDerWaalsContact O-CD2 3.26Å; H138-L209 WeakPolarHBondContact O-CD2 3.36Å; S140-L209 WeakPolarHBondContact O-CD2 3.23Å; R205-L209 WeakPolarHBondContact O-CG 3.32Å; R205-L209 PolarHBondContact O-N 2.86Å; K206-L209 WeakPolarHBondContact O-CB 3.43Å; K206-L209 PolarHBondContact O-N 3.05Å; M207-L209 VanDerWaalsContact C-N 3.34Å; M207-L209 PolarHBondContact O-N 2.83Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 3.09Å; L209-L212 PolarHBondContact O-N 2.88Å; L209-N213 WeakPolarHBondContact O-CB 3.49Å; L209-N213 PolarHBondContact O-N 2.94Å; L209-N213 PolarHBondContact O-ND2 2.86Å
210K92.2Very high92.1Very high66 Ų6627.1 Ų27.129%0.28715%0.146SC..Hα-helixtrans-58.1-44.8173.7-71.2177.4164.5167.60111.6I165 Q166 E167 K206 M207 L212 N213 I214I165-K210 HydrophobicContact CD1-CB 3.84Å; I165-K210 HydrophobicContact CG2-CB 4.29Å; Q166-K210 PolarHBondContact O-NZ 3.36Å; E167-K210 IonicContact OE1-NZ 3.68Å; E167-K210 PolarHBondContact OE1-NZ 2.96Å; E167-K210 WeakPolarHBondContact OE2-CD 3.31Å; E167-K210 WeakPolarHBondContact OE2-CE 3.36Å; E167-K210 IonicContact OE2-NZ 3.03Å; E167-K210 PolarHBondContact OE2-NZ 2.91Å; K206-K210 PolarHBondContact O-N 3.18Å; K206-K210 VanDerWaalsContact O-N 3.08Å; M207-K210 WeakPolarHBondContact O-CB 3.31Å; M207-K210 PolarHBondContact O-N 3.06Å; M207-K210 VanDerWaalsContact O-N 3.14Å; K210-L212 PolarHBondContact O-N 2.89Å; K210-N213 PolarHBondContact O-N 3.42Å; K210-I214 WeakPolarHBondContact O-CG1 3.29Å; K210-I214 PolarHBondContact O-N 3.29Å
211V92.9Very high92.1Very high0 Ų026.9 Ų26.90%015%0.145CC..Hα-helixtrans-59-45.2175.8173.30000112.2V144 I165 M207 G208 L209 I214 G215 G216 L219 A242V144-V211 HydrophobicContact CG1-CB 4.14Å; V144-V211 HydrophobicContact CG1-CG1 3.87Å; V144-V211 HydrophobicContact CG1-CG2 4.4Å; V144-V211 HydrophobicContact CG2-CB 4.21Å; V144-V211 HydrophobicContact CG2-CG1 4.06Å; I165-V211 HydrophobicContact CG1-CG2 3.97Å; I165-V211 HydrophobicContact CG2-CG2 4.41Å; M207-V211 WeakPolarHBondContact O-CG2 3.45Å; M207-V211 PolarHBondContact O-N 2.97Å; G208-V211 PolarHBondContact O-N 3.47Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 3.09Å; V211-I214 VanDerWaalsContact O-CG1 3.29Å; V211-I214 WeakPolarHBondContact O-CG1 3.25Å; V211-I214 PolarHBondContact O-N 3.02Å; V211-G215 PolarHBondContact O-N 3.41Å; V211-G216 WeakPolarHBondContact O-CA 3.27Å; V211-G216 PolarHBondContact O-N 2.87Å; V211-L219 HydrophobicContact CG2-CB 4.45Å; V211-L219 HydrophobicContact CG2-CD1 3.86Å; V211-A242 HydrophobicContact CG1-CB 4.49Å; V211-A242 HydrophobicContact CG2-CB 4.18Å
212L89.1Confident92.3Very high58 Ų5826.8 Ų26.830%0.30414%0.143SC..Hα-helixtrans-64.8-41.7177.7-70.4173.1000112V144 G208 L209 K210 I214 G215V144-L212 HydrophobicContact CG2-CD1 4.15Å; V144-L212 HydrophobicContact CG2-CD2 3.67Å; V144-L212 HydrophobicContact CG2-CG 3.52Å; G208-L212 WeakPolarHBondContact O-CG 3.46Å; G208-L212 PolarHBondContact O-N 3.42Å; L209-L212 PolarHBondContact O-N 2.88Å; K210-L212 PolarHBondContact O-N 2.89Å; L212-I214 VanDerWaalsContact C-N 3.25Å; L212-I214 PolarHBondContact O-N 3.39Å; L212-G215 PolarHBondContact O-N 3.48Å
213N88.3Confident92.3Very high137 Ų13726.1 Ų26.173%0.73314%0.14SC*.Hα-helixtrans-62-31.8-178.9-71-20.9000112.9L209 K210 G215L209-N213 WeakPolarHBondContact O-CB 3.49Å; L209-N213 PolarHBondContact O-N 2.94Å; L209-N213 PolarHBondContact O-ND2 2.86Å; K210-N213 PolarHBondContact O-N 3.42Å; N213-G215 VanDerWaalsContact C-N 3.34Å
214I87Confident92.3Very high63 Ų6326.2 Ų26.232%0.32314%0.14SC..THydrogen-bonded Turntrans-89.88.3174.465.8177.2000113.7I162 I165 K210 V211 L212 A242I162-I214 HydrophobicContact CB-CD1 4.4Å; I162-I214 HydrophobicContact CG2-CB 4.07Å; I162-I214 HydrophobicContact CG2-CD1 3.77Å; I162-I214 HydrophobicContact CG2-CG1 3.93Å; I165-I214 HydrophobicContact CD1-CD1 3.56Å; I165-I214 HydrophobicContact CG1-CD1 3.96Å; K210-I214 WeakPolarHBondContact O-CG1 3.29Å; K210-I214 PolarHBondContact O-N 3.29Å; V211-I214 VanDerWaalsContact O-CG1 3.29Å; V211-I214 WeakPolarHBondContact O-CG1 3.25Å; V211-I214 PolarHBondContact O-N 3.02Å; L212-I214 VanDerWaalsContact C-N 3.25Å; L212-I214 PolarHBondContact O-N 3.39Å; I214-A242 HydrophobicContact CD1-CB 3.58Å
215G86.8Confident92.2Very high33 Ų3326.5 Ų26.534%0.3414%0.141SC..THydrogen-bonded Turntrans80.115.9176.500000115.3V211 L212 N213V211-G215 PolarHBondContact O-N 3.41Å; L212-G215 PolarHBondContact O-N 3.48Å; N213-G215 VanDerWaalsContact C-N 3.34Å
216G89.7Confident92.2Very high6 Ų626.1 Ų26.16%0.06214%0.141CC..  trans-83.6166.8173.200000113.3V211V211-G216 WeakPolarHBondContact O-CA 3.27Å; V211-G216 PolarHBondContact O-N 2.87Å
217N91.8Very high92Very high55 Ų5524 Ų2429%0.29413%0.132SC..  trans-134.4-0.8173.172.9-6.3000113.3V144 R145 V243 R244 L245V144-N217 WeakPolarHBondContact CA-O 3.31Å; R145-N217 PolarHBondContact N-O 2.93Å; R145-N217 VanDerWaalsContact N-O 3.13Å; N217-V243 PolarHBondContact N-O 2.81Å; N217-V243 PolarHBondContact OD1-O 3.45Å; N217-R244 VanDerWaalsContact OD1-CA 3.32Å; N217-R244 WeakPolarHBondContact OD1-CA 3.22Å; N217-L245 PolarHBondContact ND2-O 2.95Å; N217-L245 PolarHBondContact OD1-N 3.26Å
218S94Very high91.8Very high2 Ų226 Ų261%0.01414%0.142CC..EExtended strand (participates in β ladder)trans-152.6154.3176.9-59.20000111.4R145 V243R145-S218 CarbonylContact O-C 3.57Å; R145-S218 WeakPolarHBondContact O-CA 3.5Å; R145-S218 WeakPolarHBondContact O-CB 3.34Å; S218-V243 PolarHBondContact N-O 3.47Å; S218-V243 VanDerWaalsContact N-O 3.14Å; S218-V243 WeakPolarHBondContact O-CG2 3.44Å; S218-V243 PolarHBondContact O-N 2.87Å
219L95Very high91.5Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-117.9122.4173.8-165.878.7000108.2R145 F146 Y147 I165 M207 V211 Y222 T241 A242R145-L219 PolarHBondContact O-N 2.93Å; F146-L219 HydrophobicContact CD1-CB 4.14Å; F146-L219 HydrophobicContact CD1-CD2 3.64Å; F146-L219 HydrophobicContact CE1-CB 4.35Å; F146-L219 HydrophobicContact CE1-CD2 3.55Å; Y147-L219 PolarHBondContact N-O 3.42Å; I165-L219 HydrophobicContact CB-CD1 3.87Å; I165-L219 HydrophobicContact CG1-CD1 4.31Å; I165-L219 HydrophobicContact CG2-CD1 4.28Å; M207-L219 HydrophobicContact CE-CD2 3.61Å; V211-L219 HydrophobicContact CG2-CB 4.45Å; V211-L219 HydrophobicContact CG2-CD1 3.86Å; L219-Y222 HydrophobicContact CD2-CD2 3.68Å; L219-Y222 HydrophobicContact CD2-CG 4.22Å; L219-T241 WeakPolarHBondContact CA-O 3.29Å; L219-A242 HydrophobicContact CD1-CB 4.42Å
220I95.3Very high91.2Very high0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-107.6147179.8-68.1178.4000109.8Y147 C149 T151 Y222 T241 V243 L245 T301 I302Y147-I220 HydrophobicContact CD2-CG1 4.49Å; C149-I220 WeakPolarHBondContact O-CG2 3.35Å; T151-I220 VanDerWaalsContact O-CG2 3.29Å; T151-I220 WeakPolarHBondContact O-CG2 3.35Å; I220-Y222 VanDerWaalsContact C-N 3.29Å; I220-Y222 PolarHBondContact O-N 3.09Å; I220-T241 PolarHBondContact N-O 3.03Å; I220-T241 PolarHBondContact O-N 3.38Å; I220-V243 HydrophobicContact CD1-CG1 4.35Å; I220-V243 HydrophobicContact CD1-CG2 3.69Å; I220-V243 HydrophobicContact CG1-CG2 3.84Å; I220-L245 HydrophobicContact CD1-CD1 4.25Å; I220-L245 HydrophobicContact CD1-CD2 4.14Å; I220-T301 PolarHBondContact O-OG1 3.4Å; I220-I302 HydrophobicContact CG2-CG1 4.03Å
221G94Very high90.6Very high0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans58.145.9-176.900000110.8Y147 C149 Q223 T301Y147-G221 PolarHBondContact O-N 3.35Å; Y147-G221 VanDerWaalsContact O-N 3.09Å; C149-G221 PolarHBondContact O-N 3.38Å; C149-G221 VanDerWaalsContact O-N 3.13Å; G221-Q223 PolarHBondContact O-N 3.1Å; G221-T301 WeakPolarHBondContact O-CB 3.39Å; G221-T301 PolarHBondContact O-OG1 2.95Å
222Y95.8Very high90.1Very high1 Ų130.4 Ų30.40%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-64.7126.3173.1175.6-125.6000109.2F146 Y147 H148 Q204 M207 L219 I220 L224 I239F146-Y222 HydrophobicContact CD1-CD1 4.18Å; F146-Y222 AromaticContact CD1-CD2 3.99Å; F146-Y222 HydrophobicContact CD1-CD2 3.99Å; F146-Y222 HydrophobicContact CD1-CE1 4.4Å; F146-Y222 HydrophobicContact CD1-CE2 4.2Å; F146-Y222 AromaticContact CD1-CG 3.97Å; F146-Y222 HydrophobicContact CD1-CG 3.97Å; F146-Y222 HydrophobicContact CE1-CD2 4.38Å; F146-Y222 HydrophobicContact CE1-CE2 4.35Å; Y147-Y222 PolarHBondContact O-N 3.21Å; H148-Y222 AromaticContact CD2-CD1 3.93Å; H148-Y222 PolarHBondContact CD2-O 3.16Å; H148-Y222 AromaticContact NE2-CD1 3.44Å; H148-Y222 WeakPolarHBondContact NE2-CD1 3.18Å; H148-Y222 AromaticContact NE2-CE1 3.89Å; Q204-Y222 HydrophobicContact CG-CE1 4.36Å; Q204-Y222 WeakPolarHBondContact CG-OH 2.92Å; M207-Y222 HydrophobicContact CE-CD2 4.14Å; M207-Y222 HydrophobicContact CE-CE2 4.08Å; M207-Y222 HydrophobicContact SD-CD2 4.34Å; M207-Y222 HydrophobicContact SD-CE2 3.69Å; L219-Y222 HydrophobicContact CD2-CD2 3.68Å; L219-Y222 HydrophobicContact CD2-CG 4.22Å; I220-Y222 VanDerWaalsContact C-N 3.29Å; I220-Y222 PolarHBondContact O-N 3.09Å; Y222-L224 HydrophobicContact CE1-CB 4.25Å; Y222-I239 WeakPolarHBondContact CA-O 3.45Å
223Q94.2Very high90.1Very high13 Ų1327.8 Ų27.86%0.06116%0.158CC..EExtended strand (participates in β ladder)trans-124.4130.2176.7-62.5172.564.400108.3G221 G238 I239 Y362G221-Q223 PolarHBondContact O-N 3.1Å; Q223-G238 WeakPolarHBondContact O-CA 3.09Å; Q223-I239 HydrophobicContact CB-CD1 4.39Å; Q223-I239 HydrophobicContact CB-CG1 3.82Å; Q223-I239 PolarHBondContact N-O 3.16Å; Q223-I239 PolarHBondContact O-N 2.59Å; Q223-Y362 PolarHBondContact NE2-O 3.28Å
224L93.3Very high90.1Very high1 Ų121.3 Ų21.31%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-122.1117.2-175176.759.4000109.6S200 L203 Y222 F226 V236 D1188 F1190 S1237S200-L224 WeakPolarHBondContact OG-CD2 3.42Å; L203-L224 HydrophobicContact CD2-CD1 3.39Å; Y222-L224 HydrophobicContact CE1-CB 4.25Å; L224-F226 HydrophobicContact CD1-CD2 4.34Å; L224-F226 HydrophobicContact CD1-CE2 3.79Å; L224-F226 HydrophobicContact CD2-CE2 4.05Å; L224-F226 HydrophobicContact CG-CD2 4.22Å; L224-F226 HydrophobicContact CG-CE2 3.82Å; L224-V236 HydrophobicContact CD1-CG1 3.72Å; L224-D1188 HydrophobicContact CD2-CB 4.38Å; L224-F1190 HydrophobicContact CD2-CE2 4.11Å; L224-F1190 HydrophobicContact CD2-CZ 4.12Å; L224-S1237 PolarHBondContact O-OG 2.85Å
225H92.9Very high90.4Very high11 Ų1118.4 Ų18.45%0.05111%0.108CC..EExtended strand (participates in β ladder)trans-115.6143.2-176.6-57.7-89.6000111.1V236 R237 E364H225-V236 WeakPolarHBondContact O-CA 3.46Å; H225-R237 HydrophobicContact CB-CB 4.37Å; H225-R237 PolarHBondContact N-O 3.43Å; H225-R237 PolarHBondContact O-N 3.25Å; H225-E364 PolarHBondContact CE1-O 3.44Å
226F91.3Very high90.7Very high15 Ų1516.8 Ų16.87%0.0669%0.092CC..EExtended strand (participates in β ladder)trans-126.298.4177.9-87.1-111.6000108.8F196 L224 V234 V236 F1190F196-F226 HydrophobicContact CB-CD1 4.39Å; F196-F226 HydrophobicContact CB-CE1 3.57Å; F196-F226 HydrophobicContact CB-CZ 4.1Å; F196-F226 AromaticContact CD1-CD1 3.95Å; F196-F226 HydrophobicContact CD1-CD1 3.95Å; F196-F226 AromaticContact CD1-CE1 3.61Å; F196-F226 HydrophobicContact CD1-CE1 3.61Å; F196-F226 HydrophobicContact CD2-CD1 4.14Å; F196-F226 HydrophobicContact CD2-CE1 4.14Å; F196-F226 HydrophobicContact CE1-CD1 4.21Å; F196-F226 HydrophobicContact CE1-CE1 4.3Å; F196-F226 HydrophobicContact CE2-CD1 4.37Å; F196-F226 AromaticContact CG-CD1 3.92Å; F196-F226 HydrophobicContact CG-CD1 3.92Å; F196-F226 AromaticContact CG-CE1 3.51Å; F196-F226 HydrophobicContact CG-CE1 3.51Å; F196-F226 HydrophobicContact CG-CZ 4.48Å; F196-F226 HydrophobicContact CZ-CD1 4.4Å; L224-F226 HydrophobicContact CD1-CD2 4.34Å; L224-F226 HydrophobicContact CD1-CE2 3.79Å; L224-F226 HydrophobicContact CD2-CE2 4.05Å; L224-F226 HydrophobicContact CG-CD2 4.22Å; L224-F226 HydrophobicContact CG-CE2 3.82Å; F226-V234 HydrophobicContact CD1-CG1 4Å; F226-V236 HydrophobicContact CD1-CG2 3.64Å; F226-V236 HydrophobicContact CD2-CG1 3.92Å; F226-V236 HydrophobicContact CD2-CG2 4.33Å; F226-V236 HydrophobicContact CE1-CB 4.44Å; F226-V236 HydrophobicContact CE1-CG1 4.22Å; F226-V236 HydrophobicContact CE1-CG2 3.37Å; F226-V236 HydrophobicContact CE2-CB 4.36Å; F226-V236 HydrophobicContact CE2-CG1 3.39Å; F226-V236 HydrophobicContact CE2-CG2 4.08Å; F226-V236 HydrophobicContact CG-CG2 4.12Å; F226-V236 HydrophobicContact CZ-CB 4.27Å; F226-V236 HydrophobicContact CZ-CG1 3.58Å; F226-V236 HydrophobicContact CZ-CG2 3.62Å; F226-F1190 HydrophobicContact CD1-CE1 4.01Å; F226-F1190 HydrophobicContact CD1-CZ 4.38Å; F226-F1190 AromaticContact CD2-CE1 3.53Å; F226-F1190 HydrophobicContact CD2-CE1 3.53Å; F226-F1190 HydrophobicContact CD2-CE2 4.41Å; F226-F1190 AromaticContact CD2-CZ 3.34Å; F226-F1190 HydrophobicContact CD2-CZ 3.34Å; F226-F1190 HydrophobicContact CE1-CE1 4.06Å; F226-F1190 HydrophobicContact CE1-CZ 4.12Å; F226-F1190 AromaticContact CE2-CE1 3.6Å; F226-F1190 HydrophobicContact CE2-CE1 3.6Å; F226-F1190 AromaticContact CE2-CE2 3.68Å; F226-F1190 HydrophobicContact CE2-CE2 3.68Å; F226-F1190 AromaticContact CE2-CZ 3Å; F226-F1190 HydrophobicContact CE2-CZ 3Å; F226-F1190 AromaticContact CG-CE1 3.76Å; F226-F1190 HydrophobicContact CG-CE1 3.76Å; F226-F1190 HydrophobicContact CG-CZ 4.04Å; F226-F1190 AromaticContact CZ-CE1 3.86Å; F226-F1190 HydrophobicContact CZ-CE1 3.86Å; F226-F1190 AromaticContact CZ-CE2 3.79Å; F226-F1190 HydrophobicContact CZ-CE2 3.79Å; F226-F1190 AromaticContact CZ-CZ 3.44Å; F226-F1190 HydrophobicContact CZ-CZ 3.44Å; F226-F1190 VanDerWaalsContact CZ-CZ 3.44Å
227D91.3Very high91Very high11 Ų1116.7 Ų16.76%0.0599%0.09CC..EExtended strand (participates in β ladder)trans-88.1111.8178.1-45.6-39.2000108.1E229 V234 V235 R237 C366 I368D227-E229 PolarHBondContact O-N 2.96Å; D227-V234 WeakPolarHBondContact O-CA 3.5Å; D227-V235 HydrophobicContact CB-CB 4.26Å; D227-V235 PolarHBondContact N-O 2.97Å; D227-V235 PolarHBondContact O-N 2.85Å; D227-R237 IonicContact OD1-CZ 3.85Å; D227-R237 IonicContact OD1-NE 2.72Å; D227-R237 IonicContact OD1-NH2 2.69Å; D227-R237 PolarHBondContact OD1-NH2 2.76Å; D227-R237 IonicContact OD2-CZ 2.74Å; D227-R237 IonicContact OD2-NE 3.35Å; D227-R237 PolarHBondContact OD2-NE 3.22Å; D227-R237 IonicContact OD2-NH2 3.28Å; D227-R237 PolarHBondContact OD2-NH2 2.76Å; D227-R237 VanDerWaalsContact OD2-NH2 3.16Å; D227-C366 VanDerWaalsContact OD1-CB 3.31Å; D227-C366 WeakPolarHBondContact OD1-CB 3.46Å; D227-I368 HydrophobicContact CB-CD1 4.02Å
228L88.6Confident91.1Very high43 Ų4314.1 Ų14.123%0.2258%0.076CC..EExtended strand (participates in β ladder)trans-89.392.7-178.5-57.3176.7000109.6F196 G230 V234 I368 V1240 L1253F196-L228 HydrophobicContact CE1-CD2 4.47Å; F196-L228 HydrophobicContact CE2-CD2 4.4Å; F196-L228 HydrophobicContact CZ-CD2 3.69Å; L228-G230 PolarHBondContact O-N 2.73Å; L228-V234 HydrophobicContact CD2-CB 4.43Å; L228-V234 HydrophobicContact CD2-CG1 3.92Å; L228-V234 HydrophobicContact CD2-CG2 3.68Å; L228-I368 WeakPolarHBondContact O-CD1 3.47Å; L228-V1240 HydrophobicContact CD1-CG2 4.47Å; L228-L1253 HydrophobicContact CD1-CD2 3.76Å
229E88Confident91.3Very high9 Ų914 Ų144%0.0428%0.075CC..  trans-88.323.4-174.9-52-174.4156.200113.1D227 E231 T232 G233 V235 L325 R336 I368D227-E229 PolarHBondContact O-N 2.96Å; E229-E231 PolarHBondContact O-N 2.86Å; E229-T232 WeakPolarHBondContact CB-OG1 3.45Å; E229-T232 PolarHBondContact O-N 2.73Å; E229-T232 VanDerWaalsContact O-N 3.13Å; E229-T232 PolarHBondContact O-OG1 3.23Å; E229-G233 CarbonylContact C-O 3.59Å; E229-G233 WeakPolarHBondContact CA-O 3.34Å; E229-G233 WeakPolarHBondContact CB-O 3.34Å; E229-G233 PolarHBondContact N-O 3.07Å; E229-V235 HydrophobicContact CG-CG2 4.4Å; E229-L325 HydrophobicContact CB-CD1 4.15Å; E229-L325 HydrophobicContact CG-CD1 4.41Å; E229-L325 HydrophobicContact CG-CD2 4.34Å; E229-R336 IonicContact OE1-CZ 2.71Å; E229-R336 IonicContact OE1-NE 3.1Å; E229-R336 PolarHBondContact OE1-NE 3.22Å; E229-R336 IonicContact OE1-NH2 3.37Å; E229-R336 IonicContact OE2-CZ 3.14Å; E229-R336 VanDerWaalsContact OE2-CZ 3.3Å; E229-R336 IonicContact OE2-NE 3.2Å; E229-R336 PolarHBondContact OE2-NE 3.03Å; E229-R336 VanDerWaalsContact OE2-NE 3.09Å; E229-R336 IonicContact OE2-NH2 3.82Å; E229-R336 PolarHBondContact OE2-NH2 3.34Å; E229-I368 HydrophobicContact CB-CD1 4.4Å; E229-I368 HydrophobicContact CG-CD1 3.75Å
230G83Confident91.3Very high20 Ų2014 Ų1421%0.2068%0.075CC..G310 helixtrans59.5-123.5174.500000113.7H176 L228 T232 G233H176-G230 VanDerWaalsContact CD2-C 3.43Å; H176-G230 PolarHBondContact CD2-O 3.14Å; L228-G230 PolarHBondContact O-N 2.73Å; G230-T232 PolarHBondContact O-N 3.12Å; G230-G233 PolarHBondContact O-N 2.83Å
231E79.5Confident91.3Very high130 Ų13014 Ų1461%0.6078%0.075SC*.G310 helixtrans-63.3-18.7178.8-67.9178.6165.200113.8H176 E229 K327H176-E231 HydrophobicContact CB-CG 4.42Å; E229-E231 PolarHBondContact O-N 2.86Å; E231-K327 WeakPolarHBondContact OE2-CD 3.47Å; E231-K327 VanDerWaalsContact OE2-CE 3.28Å; E231-K327 WeakPolarHBondContact OE2-CE 3.47Å; E231-K327 IonicContact OE2-NZ 3.59Å; E231-K327 PolarHBondContact OE2-NZ 2.71Å
232T83.9Confident91.3Very high31 Ų3114 Ų1419%0.198%0.075CC..G310 helixtrans-86-9.2175.767.30000113.3E229 G230 K327E229-T232 WeakPolarHBondContact CB-OG1 3.45Å; E229-T232 PolarHBondContact O-N 2.73Å; E229-T232 VanDerWaalsContact O-N 3.13Å; E229-T232 PolarHBondContact O-OG1 3.23Å; G230-T232 PolarHBondContact O-N 3.12Å; T232-K327 HydrophobicContact CG2-CG 4.29Å
233G87.5Confident91.2Very high3 Ų314 Ų143%0.0318%0.075CC..  trans112.8-154.917200000114.4N171 E229 G230N171-G233 WeakPolarHBondContact O-CA 3.45Å; E229-G233 CarbonylContact C-O 3.59Å; E229-G233 WeakPolarHBondContact CA-O 3.34Å; E229-G233 WeakPolarHBondContact CB-O 3.34Å; E229-G233 PolarHBondContact N-O 3.07Å; G230-G233 PolarHBondContact O-N 2.83Å
234V89.9Confident91.1Very high1 Ų116.8 Ų16.81%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-122.2128.7177.6-178.60000109.6M170 N171 D173 F196 F226 D227 L228 V236M170-V234 VanDerWaalsContact CA-O 3.31Å; M170-V234 WeakPolarHBondContact CA-O 3.35Å; N171-V234 PolarHBondContact N-O 2.8Å; N171-V234 VanDerWaalsContact N-O 3.07Å; N171-V234 PolarHBondContact O-N 3.49Å; D173-V234 HydrophobicContact CB-CG2 3.63Å; D173-V234 WeakPolarHBondContact OD2-CG2 3.44Å; F196-V234 HydrophobicContact CE1-CB 4.39Å; F196-V234 HydrophobicContact CE1-CG1 4.06Å; F196-V234 HydrophobicContact CE1-CG2 3.94Å; F196-V234 HydrophobicContact CZ-CG2 4.3Å; F226-V234 HydrophobicContact CD1-CG1 4Å; D227-V234 WeakPolarHBondContact O-CA 3.5Å; L228-V234 HydrophobicContact CD2-CB 4.43Å; L228-V234 HydrophobicContact CD2-CG1 3.92Å; L228-V234 HydrophobicContact CD2-CG2 3.68Å; V234-V236 HydrophobicContact CG1-CG2 3.98Å
235V92.5Very high91Very high1 Ų117.1 Ų17.11%0.0069%0.087CC..EExtended strand (participates in β ladder)trans-104.6122.9173.3168.30000108.7L168 M170 D227 E229 R237 R336L168-V235 HydrophobicContact CD1-CG1 3.81Å; L168-V235 HydrophobicContact CD2-CG1 3.91Å; L168-V235 HydrophobicContact CG-CG1 3.86Å; M170-V235 HydrophobicContact CB-CG2 4Å; M170-V235 HydrophobicContact CE-CG2 4.2Å; D227-V235 HydrophobicContact CB-CB 4.26Å; D227-V235 PolarHBondContact N-O 2.97Å; D227-V235 PolarHBondContact O-N 2.85Å; E229-V235 HydrophobicContact CG-CG2 4.4Å; V235-R237 HydrophobicContact CG1-CG 3.97Å; V235-R336 HydrophobicContact CG2-CG 4.2Å
236V94.1Very high90.9Very high0 Ų021.8 Ų21.80%011%0.107CC..EExtended strand (participates in β ladder)trans-112.5122.2-179.9-176.50000108.9L168 V169 L199 L203 L224 H225 F226 V234L168-V236 WeakPolarHBondContact CA-O 3.34Å; V169-V236 HydrophobicContact CG2-CB 3.81Å; V169-V236 HydrophobicContact CG2-CG1 4.46Å; V169-V236 PolarHBondContact N-O 2.69Å; V169-V236 PolarHBondContact O-N 2.97Å; L199-V236 HydrophobicContact CB-CB 4.48Å; L199-V236 HydrophobicContact CB-CG2 3.94Å; L199-V236 HydrophobicContact CD1-CG2 3.71Å; L199-V236 HydrophobicContact CG-CG2 4.46Å; L203-V236 HydrophobicContact CD2-CG1 4.02Å; L224-V236 HydrophobicContact CD1-CG1 3.72Å; H225-V236 WeakPolarHBondContact O-CA 3.46Å; F226-V236 HydrophobicContact CD1-CG2 3.64Å; F226-V236 HydrophobicContact CD2-CG1 3.92Å; F226-V236 HydrophobicContact CD2-CG2 4.33Å; F226-V236 HydrophobicContact CE1-CB 4.44Å; F226-V236 HydrophobicContact CE1-CG1 4.22Å; F226-V236 HydrophobicContact CE1-CG2 3.37Å; F226-V236 HydrophobicContact CE2-CB 4.36Å; F226-V236 HydrophobicContact CE2-CG1 3.39Å; F226-V236 HydrophobicContact CE2-CG2 4.08Å; F226-V236 HydrophobicContact CG-CG2 4.12Å; F226-V236 HydrophobicContact CZ-CB 4.27Å; F226-V236 HydrophobicContact CZ-CG1 3.58Å; F226-V236 HydrophobicContact CZ-CG2 3.62Å; V234-V236 HydrophobicContact CG1-CG2 3.98Å
237R94.6Very high90.7Very high4 Ų427.8 Ų27.82%0.01513%0.133CC..EExtended strand (participates in β ladder)trans-120.2139.2-175.5-64.3-176.3-68.7109.37.2111.1L168 H225 D227 V235 W340 E364L168-R237 HydrophobicContact CB-CG 4.47Å; L168-R237 HydrophobicContact CD1-CG 3.7Å; L168-R237 HydrophobicContact CG-CG 3.88Å; H225-R237 HydrophobicContact CB-CB 4.37Å; H225-R237 PolarHBondContact N-O 3.43Å; H225-R237 PolarHBondContact O-N 3.25Å; D227-R237 IonicContact OD1-CZ 3.85Å; D227-R237 IonicContact OD1-NE 2.72Å; D227-R237 IonicContact OD1-NH2 2.69Å; D227-R237 PolarHBondContact OD1-NH2 2.76Å; D227-R237 IonicContact OD2-CZ 2.74Å; D227-R237 IonicContact OD2-NE 3.35Å; D227-R237 PolarHBondContact OD2-NE 3.22Å; D227-R237 IonicContact OD2-NH2 3.28Å; D227-R237 PolarHBondContact OD2-NH2 2.76Å; D227-R237 VanDerWaalsContact OD2-NH2 3.16Å; V235-R237 HydrophobicContact CG1-CG 3.97Å; R237-W340 VanDerWaalsContact NH1-CZ2 3.32Å; R237-E364 VanDerWaalsContact NH1-CB 3.35Å; R237-E364 IonicContact NH1-OE2 3.38Å; R237-E364 PolarHBondContact NH1-OE2 2.89Å
238G95.4Very high90Very high0 Ų034 Ų340%016%0.156CC..EExtended strand (participates in β ladder)trans-130.3128.6177.900000110.5Q166 E167 M207 Q223Q166-G238 CarbonylContact C-O 3.59Å; Q166-G238 VanDerWaalsContact CA-O 3.31Å; Q166-G238 WeakPolarHBondContact CA-O 3.29Å; E167-G238 PolarHBondContact N-O 2.86Å; E167-G238 PolarHBondContact O-N 2.94Å; M207-G238 VanDerWaalsContact CE-O 3.3Å; M207-G238 WeakPolarHBondContact CE-O 3.44Å; Q223-G238 WeakPolarHBondContact O-CA 3.09Å
239I96.3Very high89.2Confident0 Ų036.3 Ų36.30%018%0.176CC..EExtended strand (participates in β ladder)trans-129.2151.7175.663.5172.9000110.8F164 I165 Q166 Y222 Q223 T301 Y362 E364F164-I239 HydrophobicContact CE2-CB 3.88Å; F164-I239 HydrophobicContact CE2-CG2 4.27Å; F164-I239 HydrophobicContact CZ-CB 3.9Å; F164-I239 HydrophobicContact CZ-CG2 3.75Å; I165-I239 CarbonylContact O-C 3.53Å; I165-I239 WeakPolarHBondContact O-CA 3.22Å; Q166-I239 HydrophobicContact CB-CG2 4.11Å; Y222-I239 WeakPolarHBondContact CA-O 3.45Å; Q223-I239 HydrophobicContact CB-CD1 4.39Å; Q223-I239 HydrophobicContact CB-CG1 3.82Å; Q223-I239 PolarHBondContact N-O 3.16Å; Q223-I239 PolarHBondContact O-N 2.59Å; I239-T301 HydrophobicContact CB-CG2 4.49Å; I239-T301 HydrophobicContact CD1-CG2 4.2Å; I239-T301 HydrophobicContact CG1-CG2 4.19Å; I239-Y362 HydrophobicContact CD1-CD1 4.19Å; I239-Y362 HydrophobicContact CD1-CE1 4.27Å; I239-E364 HydrophobicContact CD1-CB 4.44Å; I239-E364 HydrophobicContact CD1-CG 4.21Å
240G96.1Very high87.8Confident0 Ų039.9 Ų39.90%020%0.2CC..EExtended strand (participates in β ladder)trans-176.7173.5176.900000114.2I165 T301I165-G240 PolarHBondContact N-O 2.78Å; I165-G240 PolarHBondContact O-N 2.99Å; G240-T301 WeakPolarHBondContact CA-OG1 3.41Å
241T95.3Very high86.2Confident0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-103.1114.8179.4-51.70000110.6L161 L219 I220 V243 L300 T301 I302L161-T241 HydrophobicContact CD1-CG2 3.73Å; L219-T241 WeakPolarHBondContact CA-O 3.29Å; I220-T241 PolarHBondContact N-O 3.03Å; I220-T241 PolarHBondContact O-N 3.38Å; T241-V243 HydrophobicContact CG2-CG1 4.44Å; T241-L300 HydrophobicContact CG2-CD2 3.6Å; T241-T301 PolarHBondContact N-OG1 3Å; T241-T301 PolarHBondContact OG1-N 3.42Å; T241-T301 PolarHBondContact OG1-OG1 3.06Å; T241-I302 HydrophobicContact CG2-CD1 4.06Å; T241-I302 HydrophobicContact CG2-CG1 4.27Å
242A94.6Very high84.4Confident0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-77.5131.5176.300000111.9I162 G163 I165 V211 I214 L219I162-A242 HydrophobicContact CB-CB 4.44Å; I162-A242 WeakPolarHBondContact CB-O 3.28Å; I162-A242 PolarHBondContact N-O 2.93Å; G163-A242 PolarHBondContact N-O 2.94Å; G163-A242 PolarHBondContact O-N 3.35Å; I165-A242 HydrophobicContact CG1-CB 3.71Å; V211-A242 HydrophobicContact CG1-CB 4.49Å; V211-A242 HydrophobicContact CG2-CB 4.18Å; I214-A242 HydrophobicContact CD1-CB 3.58Å; L219-A242 HydrophobicContact CD1-CB 4.42Å
243V93Very high82Confident0 Ų048.1 Ų48.10%026%0.256CS..EExtended strand (participates in β ladder)trans-137.9160.2-179.1-70.20000110.9I158 S160 L161 N217 S218 I220 T241 L245I158-V243 HydrophobicContact CD1-CG1 4.17Å; I158-V243 HydrophobicContact CG1-CG1 4.42Å; I158-V243 HydrophobicContact CG2-CG1 4.49Å; S160-V243 WeakPolarHBondContact O-CA 3.32Å; L161-V243 HydrophobicContact CD1-CG1 3.69Å; N217-V243 PolarHBondContact N-O 2.81Å; N217-V243 PolarHBondContact OD1-O 3.45Å; S218-V243 PolarHBondContact N-O 3.47Å; S218-V243 VanDerWaalsContact N-O 3.14Å; S218-V243 WeakPolarHBondContact O-CG2 3.44Å; S218-V243 PolarHBondContact O-N 2.87Å; I220-V243 HydrophobicContact CD1-CG1 4.35Å; I220-V243 HydrophobicContact CD1-CG2 3.69Å; I220-V243 HydrophobicContact CG1-CG2 3.84Å; T241-V243 HydrophobicContact CG2-CG1 4.44Å; V243-L245 HydrophobicContact CG2-CD1 4.42Å; V243-L245 HydrophobicContact CG2-CD2 4.09Å; V243-L245 HydrophobicContact CG2-CG 3.81Å
244R92.5Very high79.5Confident73 Ų7353.7 Ų53.728%0.27529%0.291SS..EExtended strand (participates in β ladder)trans-103.1106.8159-164.1166.569.4-145.9-0.1108.9D159 S160 N217D159-R244 HydrophobicContact CB-CB 4.48Å; D159-R244 WeakPolarHBondContact CB-O 3.39Å; D159-R244 PolarHBondContact N-O 3.48Å; D159-R244 IonicContact OD2-CZ 2.68Å; D159-R244 IonicContact OD2-NE 3.77Å; D159-R244 PolarHBondContact OD2-NE 2.8Å; D159-R244 IonicContact OD2-NH2 3.45Å; D159-R244 PolarHBondContact OD2-NH2 2.9Å; S160-R244 PolarHBondContact N-O 2.94Å; S160-R244 PolarHBondContact O-N 2.81Å; S160-R244 WeakPolarHBondContact OG-CB 3.21Å; N217-R244 VanDerWaalsContact OD1-CA 3.32Å; N217-R244 WeakPolarHBondContact OD1-CA 3.22Å
245L91.9Very high77Confident8 Ų859.1 Ų59.14%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-89.4138.8174.2-67.4-177.5000111.3Y147 P153 F156 I158 N217 I220 V243Y147-L245 HydrophobicContact CD2-CD1 4.37Å; Y147-L245 HydrophobicContact CE2-CD1 3.81Å; P153-L245 HydrophobicContact CG-CD1 4.14Å; F156-L245 HydrophobicContact CB-CD1 4.36Å; F156-L245 HydrophobicContact CB-CD2 4.33Å; F156-L245 HydrophobicContact CD1-CB 4.01Å; F156-L245 HydrophobicContact CD1-CD1 4.43Å; F156-L245 HydrophobicContact CG-CD1 4.38Å; I158-L245 HydrophobicContact CG1-CD2 3.76Å; N217-L245 PolarHBondContact ND2-O 2.95Å; N217-L245 PolarHBondContact OD1-N 3.26Å; I220-L245 HydrophobicContact CD1-CD1 4.25Å; I220-L245 HydrophobicContact CD1-CD2 4.14Å; V243-L245 HydrophobicContact CG2-CD1 4.42Å; V243-L245 HydrophobicContact CG2-CD2 4.09Å; V243-L245 HydrophobicContact CG2-CG 3.81Å
246K90.1Very high74.3Confident108 Ų10866.2 Ų66.247%0.4736%0.364SS..EExtended strand (participates in β ladder)trans-115.5143165.5-74.9178.1177.4163.80109.2F156 V157 D159 Y248F156-K246 CarbonylContact C-O 3.55Å; F156-K246 WeakPolarHBondContact CA-O 3.41Å; V157-K246 HydrophobicContact CG2-CB 4.23Å; V157-K246 PolarHBondContact N-O 3.48Å; V157-K246 PolarHBondContact O-N 3.43Å; D159-K246 HydrophobicContact CB-CD 3.82Å; D159-K246 HydrophobicContact CB-CG 3.95Å; D159-K246 WeakPolarHBondContact OD1-CD 3.34Å; D159-K246 VanDerWaalsContact OD1-CE 3.28Å; D159-K246 WeakPolarHBondContact OD1-CE 3.44Å; D159-K246 IonicContact OD1-NZ 2.83Å; D159-K246 PolarHBondContact OD1-NZ 2.94Å; D159-K246 WeakPolarHBondContact OD2-CE 3.22Å; D159-K246 IonicContact OD2-NZ 2.72Å; D159-K246 PolarHBondContact OD2-NZ 2.96Å; K246-Y248 PolarHBondContact O-N 2.9Å
247K86.5Confident71.3Confident142 Ų14272.7 Ų72.762%0.61740%0.404SS*.EExtended strand (participates in β ladder)trans-69.7129.6173.6-165.5172.2-173.3174.30108.7F156 S249F156-K247 HydrophobicContact CD1-CB 4.44Å; F156-K247 HydrophobicContact CE1-CB 4.25Å; K247-S249 PolarHBondContact O-N 2.78Å
248Y77.5Confident68.4Low141 Ų14178.5 Ų78.555%0.55344%0.442SS*.  trans-65.7121.9178-173.5-108.9000109.4G155 V157 K246 P250G155-Y248 WeakPolarHBondContact O-CB 3.45Å; G155-Y248 PolarHBondContact O-N 3.43Å; V157-Y248 HydrophobicContact CG1-CD2 3.72Å; V157-Y248 HydrophobicContact CG1-CE2 4.48Å; V157-Y248 HydrophobicContact CG1-CG 4.48Å; K246-Y248 PolarHBondContact O-N 2.9Å; Y248-P250 HydrophobicContact CE1-CB 4.06Å
249S70.4Confident65.4Low92 Ų9285.2 Ų85.264%0.64348%0.484SS*.  trans-117.3104.5172.834.60000107.3K247 V251K247-S249 PolarHBondContact O-N 2.78Å; S249-V251 PolarHBondContact O-N 2.67Å; S249-V251 VanDerWaalsContact O-N 3.16Å
250P59.3Low62.3Low84 Ų8488.5 Ų88.555%0.54552%0.517SS..  trans-64.1119.6175.825.6-31.8000108.4Y248 T252Y248-P250 HydrophobicContact CE1-CB 4.06Å; P250-T252 VanDerWaalsContact C-N 3.33Å; P250-T252 PolarHBondContact O-N 3.17Å
251V50.1Low59.3Low122 Ų12296.3 Ų96.374%0.73956%0.557SS**  trans-74.289.8178.51790000108.6S249 T253S249-V251 PolarHBondContact O-N 2.67Å; S249-V251 VanDerWaalsContact O-N 3.16Å; V251-T253 WeakPolarHBondContact CG1-OG1 3.45Å; V251-T253 PolarHBondContact O-N 2.78Å
252T41.3Very low56.1Low131 Ų131100.9 Ų100.980%0.80459%0.589SS**  trans-77.368.6174.2-43.80000110.7P250P250-T252 VanDerWaalsContact C-N 3.33Å; P250-T252 PolarHBondContact O-N 3.17Å
253T33.4Very low53Low101 Ų101110.3 Ų110.362%0.6263%0.63SS**  trans-132.8118.616253.50000109V251V251-T253 WeakPolarHBondContact CG1-OG1 3.45Å; V251-T253 PolarHBondContact O-N 2.78Å
254P35.4Very low49.8Very low120 Ų120118 Ų11878%0.77967%0.671SS**  trans-68.5136174.229.3-33000109.3N256P254-N256 PolarHBondContact O-N 3.17Å
255P37.1Very low46.8Very low114 Ų114119.4 Ų119.474%0.7469%0.692SS**SBendtrans-71.9115.7169.329.8-30.6000108.2
256N35.2Very low43.6Very low150 Ų150124.2 Ų124.280%0.80273%0.726SS**  trans154.497.1143.2-77.5-23.9000112.9P254P254-N256 PolarHBondContact O-N 3.17Å
257T31.4Very low40.6Very low137 Ų137128.9 Ų128.984%0.8474%0.743SS**  trans-167.3121.5132.43.20000110.8
258P34.1Very low37.7Very low126 Ų126129.2 Ų129.282%0.81875%0.751SS**  trans-106.585.7179.636.9-30000113.3
259T33.1Very low35.3Very low141 Ų141134.1 Ų134.187%0.86577%0.769SS**  trans-165.2148.516342.90000107.6
260G30.7Very low33.1Very low68 Ų68138.8 Ų138.870%0.70178%0.78SS**  cis162.7118.4-500000110.2
261I31.8Very low31.5Very low164 Ų164139.2 Ų139.284%0.84179%0.785SS**  trans60102.3157.8-55.4171000119.1
262S28.5Very low30.5Very low97 Ų97139.8 Ų139.868%0.67879%0.792SS**  trans39.5127.7146.475.80000122.8
263K31Very low29.8Very low197 Ų197140.9 Ų140.986%0.85779%0.793SS**  -173.5160.898.5-101171.7-176.2176.60113.4
264N25Very low29.5Very low162 Ų162140.7 Ų140.787%0.86680%0.802SS**  trans-59.8138.9-172.7-55.1-18.2000115.2
265S29.3Very low29Very low102 Ų102140 Ų14071%0.71380%0.8SS**  trans-153.9116.7139.561.70000110.4
266S24Very low28.5Very low109 Ų109145.5 Ų145.576%0.76281%0.807SS**  trans-77.1129.8-179.145.40000112.6
267Y28.7Very low28Very low206 Ų206147.8 Ų147.881%0.80881%0.81SS**  trans-130.2121.5160.6-79.9-76.8000110
268N23.7Very low27.8Very low150 Ų150151 Ų15180%0.80282%0.815SS**  trans-71.5138.7-179.8-68.5-22000110.9
269W27.2Very low27.2Very low244 Ų244150.2 Ų150.292%0.92481%0.813SS**  trans-119.1122.5151.3-84.285.7000107.9
270E26Very low27Very low189 Ų189146.3 Ų146.388%0.88380%0.801SS**  trans-70.9129.4-173.5-65.7176.1133.400111
271S24.9Very low26.7Very low93 Ų93150 Ų15065%0.6581%0.81SS**  trans-96.9136.9166.4-63.70000109.3N273S271-N273 PolarHBondContact O-N 2.89Å
272P29Very low26.5Very low134 Ų134149.6 Ų149.687%0.8780%0.804SS**  trans-71100.3167.528.9-31.4000109A274P272-A274 PolarHBondContact O-N 3.13Å
273N26.2Very low26.2Very low154 Ų154152.4 Ų152.482%0.82481%0.811SS**  trans-64.4123.8178.1-80.3-42.6000111.9S271S271-N273 PolarHBondContact O-N 2.89Å
274A28Very low26Very low98 Ų98152.7 Ų152.781%0.8181%0.813SS**  trans-119.998.7148.800000107.2P272 Y276P272-A274 PolarHBondContact O-N 3.13Å; A274-Y276 PolarHBondContact O-N 3.1Å
275S24.7Very low25.9Very low106 Ų106152.6 Ų152.674%0.74181%0.807SS**  trans-76.5122.7-173.160.80000111.9
276Y27Very low25.8Very low228 Ų228152.3 Ų152.389%0.89481%0.805SS**  trans-117.2132.7153.4-91.3-86.2000109.4A274 E278A274-Y276 PolarHBondContact O-N 3.1Å; Y276-E278 PolarHBondContact O-N 3.03Å
277K24.9Very low25.9Very low198 Ų198154.9 Ų154.986%0.86181%0.805SS**  trans-75.4114.8180-72.4176.9175.4176.50109.6S279K277-S279 PolarHBondContact O-N 2.85Å
278E25.4Very low25.9Very low204 Ų204149.7 Ų149.795%0.95379%0.79SS**  trans-80.1100.6165.3-121.6179.6-17900109.4Y276Y276-E278 PolarHBondContact O-N 3.03Å
279S23.1Very low26.3Very low111 Ų111144.2 Ų144.278%0.77676%0.763SS**  trans-139.893.2170.255.80000108.8K277K277-S279 PolarHBondContact O-N 2.85Å
280G27.2Very low26.6Very low59 Ų59139 Ų13961%0.60875%0.749SS**  trans168.675.3-175.300000112H282G280-H282 PolarHBondContact O-N 2.89Å
281V24.9Very low27.5Very low145 Ų145131.2 Ų131.288%0.87972%0.717SS**  trans-65.795.9171.2178.80000108.5
282H27Very low28.7Very low155 Ų155127.3 Ų127.372%0.71869%0.689SS**  trans-115124.4168.5-82.2-68.4000109.8G280 F284G280-H282 PolarHBondContact O-N 2.89Å; H282-F284 PolarHBondContact O-N 3.2Å
283N23.1Very low29.3Very low157 Ų157128.3 Ų128.384%0.8468%0.682SS**  trans-55.5103.4175.1-70.5-29000110.2Q285N283-Q285 VanDerWaalsContact C-N 3.26Å; N283-Q285 PolarHBondContact O-N 3.22Å
284F25.8Very low29.9Very low203 Ų203126.7 Ų126.789%0.8967%0.672SS**  trans-64.799150.3-89.4-85.4000106.7H282 S286H282-F284 PolarHBondContact O-N 3.2Å; F284-S286 PolarHBondContact O-N 3.37Å
285Q23.8Very low31Very low159 Ų159123.5 Ų123.574%0.74365%0.648SS**  trans-62.898.7160.7-171.4156.9-3.700105.6N283 H287N283-Q285 VanDerWaalsContact C-N 3.26Å; N283-Q285 PolarHBondContact O-N 3.22Å; Q285-H287 VanDerWaalsContact C-N 3.25Å; Q285-H287 PolarHBondContact O-N 3Å
286S27.5Very low33Very low97 Ų97125.2 Ų125.268%0.67865%0.645SS**  trans-65.890.4-179.1550000107.8F284 I288F284-S286 PolarHBondContact O-N 3.37Å; S286-I288 PolarHBondContact O-N 2.81Å
287H26.7Very low35.4Very low162 Ų162115 Ų11575%0.7561%0.605SS**  trans-62.297.5164.2-85.2-89.6000106.8Q285 P289Q285-H287 VanDerWaalsContact C-N 3.25Å; Q285-H287 PolarHBondContact O-N 3Å; H287-P289 WeakPolarHBondContact O-CD 3.42Å
288I28Very low38.5Very low98 Ų98106.3 Ų106.350%0.50357%0.569SS.*PPolyproline II helixtrans-54.6120.8171.8-67.8158.9000106.2S286 Q290 L392S286-I288 PolarHBondContact O-N 2.81Å; I288-Q290 PolarHBondContact O-N 2.89Å; I288-L392 HydrophobicContact CG2-CD1 4.13Å; I288-L392 HydrophobicContact CG2-CD2 3.87Å
289P32.6Very low41.7Very low35 Ų3596.6 Ų96.623%0.22752%0.524CS..PPolyproline II helixtrans-58.6116.7173.3-20.832.6000107.5H287 A291H287-P289 WeakPolarHBondContact O-CD 3.42Å; P289-A291 PolarHBondContact O-N 3.05Å
290Q33.2Very low45.1Very low135 Ų13591.4 Ų91.463%0.63149%0.487SS*.PPolyproline II helixtrans-69.8133.4178.5-77.1166.6-5400108.2I288 L294I288-Q290 PolarHBondContact O-N 2.89Å; Q290-L294 HydrophobicContact CB-CB 4.03Å; Q290-L294 HydrophobicContact CB-CD1 3.75Å; Q290-L294 VanDerWaalsContact CD-CD1 3.42Å; Q290-L294 HydrophobicContact CG-CD1 3.83Å; Q290-L294 VanDerWaalsContact NE2-CD1 3.27Å
291A43.9Very low48.3Very low25 Ų2588.6 Ų88.621%0.20746%0.458CS..PPolyproline II helixtrans-63.3173.6-176.300000112.1P289 E293 L294 I389P289-A291 PolarHBondContact O-N 3.05Å; A291-E293 PolarHBondContact O-N 3.39Å; A291-L294 PolarHBondContact O-N 3.07Å; A291-I389 HydrophobicContact CB-CG2 3.98Å; A291-I389 WeakPolarHBondContact CB-O 3.35Å
292L50.7Low51.5Low11 Ų1181.7 Ų81.76%0.05842%0.416CS..G310 helixtrans-40.3-30.9179.4-130.786.3000115L161 L294 G295 P298 A358 I384 I389L161-L292 HydrophobicContact CD2-CD1 4.19Å; L161-L292 HydrophobicContact CG-CD1 3.92Å; L292-L294 PolarHBondContact O-N 3.13Å; L292-L294 VanDerWaalsContact O-N 3.16Å; L292-G295 PolarHBondContact O-N 3.39Å; L292-P298 HydrophobicContact CD2-CB 4.24Å; L292-A358 HydrophobicContact CD2-CB 4.49Å; L292-I384 HydrophobicContact CD2-CD1 4.49Å; L292-I389 HydrophobicContact CB-CG1 4.48Å; L292-I389 HydrophobicContact CB-CG2 4.27Å
293E41.1Very low54.5Low155 Ų15574.6 Ų74.672%0.72438%0.384SS*.G310 helixtrans-55.5-22.1175.3-66.1-175.3142.900115.4A291 I389A291-E293 PolarHBondContact O-N 3.39Å; E293-I389 HydrophobicContact CG-CG2 4.19Å
294L40.2Very low57.7Low120 Ų12069.8 Ų69.863%0.62836%0.357SS*.G310 helixtrans-116.63.7178.6-82163.8000113.8Q290 A291 L292Q290-L294 HydrophobicContact CB-CB 4.03Å; Q290-L294 HydrophobicContact CB-CD1 3.75Å; Q290-L294 VanDerWaalsContact CD-CD1 3.42Å; Q290-L294 HydrophobicContact CG-CD1 3.83Å; Q290-L294 VanDerWaalsContact NE2-CD1 3.27Å; A291-L294 PolarHBondContact O-N 3.07Å; L292-L294 PolarHBondContact O-N 3.13Å; L292-L294 VanDerWaalsContact O-N 3.16Å
295G49.6Very low60.5Low30 Ų3060.3 Ų60.331%0.30932%0.315SS..SBendtrans-65.7140.1163.100000109.8L292 F297L292-G295 PolarHBondContact O-N 3.39Å; G295-F297 PolarHBondContact O-N 3.25Å
296E67.2Low63.5Low143 Ų14353 Ų5367%0.66828%0.281SS*.SBendtrans-55.9-37.2-179.4-162.6-175.7176.500111.6
297F77.7Confident66.2Low13 Ų1353 Ų536%0.05728%0.279CS..SBendtrans-134.9129.7176.3-62.6-75.7000111.1F164 G295 F299 L341 R344 T345 V348F164-F297 HydrophobicContact CB-CB 4.4Å; F164-F297 WeakPolarHBondContact CB-O 3.32Å; F164-F297 HydrophobicContact CD1-CB 4.13Å; F164-F297 HydrophobicContact CD1-CD2 4.48Å; G295-F297 PolarHBondContact O-N 3.25Å; F297-F299 HydrophobicContact CB-CD1 4.23Å; F297-F299 HydrophobicContact CB-CD2 3.56Å; F297-F299 HydrophobicContact CB-CE1 4.35Å; F297-F299 HydrophobicContact CB-CE2 3.68Å; F297-F299 HydrophobicContact CB-CG 3.86Å; F297-F299 HydrophobicContact CB-CZ 4.1Å; F297-F299 HydrophobicContact CD1-CD2 4.45Å; F297-F299 HydrophobicContact CD1-CE1 4.49Å; F297-F299 AromaticContact CD1-CE2 3.7Å; F297-F299 HydrophobicContact CD1-CE2 3.7Å; F297-F299 AromaticContact CD1-CZ 3.74Å; F297-F299 HydrophobicContact CD1-CZ 3.74Å; F297-F299 HydrophobicContact CG-CD2 4.14Å; F297-F299 AromaticContact CG-CE2 3.8Å; F297-F299 HydrophobicContact CG-CE2 3.8Å; F297-F299 HydrophobicContact CG-CZ 4.23Å; F297-F299 PolarHBondContact O-N 3.46Å; F297-L341 HydrophobicContact CE2-CD1 3.93Å; F297-L341 HydrophobicContact CZ-CD1 3.59Å; F297-R344 HydrophobicContact CD1-CB 3.97Å; F297-R344 HydrophobicContact CE1-CB 3.65Å; F297-R344 HydrophobicContact CE2-CB 4.42Å; F297-R344 HydrophobicContact CZ-CB 3.92Å; F297-T345 HydrophobicContact CE1-CG2 4.23Å; F297-T345 HydrophobicContact CZ-CG2 4.31Å; F297-V348 HydrophobicContact CD1-CG2 3.67Å; F297-V348 HydrophobicContact CE1-CG2 4.16Å
298P88.8Confident69Low16 Ų1646.8 Ų46.810%0.10426%0.259CS..  trans-82.250.1177.136-36.1000111L292 M351 D357 A358 V359L292-P298 HydrophobicContact CD2-CB 4.24Å; P298-M351 HydrophobicContact CG-CE 3.79Å; P298-M351 HydrophobicContact CG-SD 3.89Å; P298-D357 WeakPolarHBondContact CB-O 3.04Å; P298-A358 HydrophobicContact CB-CB 4.35Å; P298-A358 VanDerWaalsContact O-CA 3.32Å; P298-A358 WeakPolarHBondContact O-CA 3.23Å; P298-A358 WeakPolarHBondContact O-CB 3.36Å; P298-V359 PolarHBondContact O-N 3.32Å
299F93.9Very high71.9Confident0 Ų042.1 Ų42.10%024%0.235CC..EExtended strand (participates in β ladder)trans-101.3139.5-176.6-57.5-19.1000111.3F164 F297 R344 I347 V348 V359 Y362F164-F299 HydrophobicContact CB-CB 4.07Å; F164-F299 HydrophobicContact CD1-CB 4.49Å; F164-F299 HydrophobicContact CD1-CD2 4.13Å; F164-F299 HydrophobicContact CD2-CB 3.81Å; F164-F299 HydrophobicContact CE1-CD2 4.16Å; F164-F299 HydrophobicContact CE2-CB 4.34Å; F164-F299 HydrophobicContact CG-CB 3.9Å; F164-F299 HydrophobicContact CG-CD2 4.36Å; F164-F299 HydrophobicContact CZ-CD2 4.42Å; F297-F299 HydrophobicContact CB-CD1 4.23Å; F297-F299 HydrophobicContact CB-CD2 3.56Å; F297-F299 HydrophobicContact CB-CE1 4.35Å; F297-F299 HydrophobicContact CB-CE2 3.68Å; F297-F299 HydrophobicContact CB-CG 3.86Å; F297-F299 HydrophobicContact CB-CZ 4.1Å; F297-F299 HydrophobicContact CD1-CD2 4.45Å; F297-F299 HydrophobicContact CD1-CE1 4.49Å; F297-F299 AromaticContact CD1-CE2 3.7Å; F297-F299 HydrophobicContact CD1-CE2 3.7Å; F297-F299 AromaticContact CD1-CZ 3.74Å; F297-F299 HydrophobicContact CD1-CZ 3.74Å; F297-F299 HydrophobicContact CG-CD2 4.14Å; F297-F299 AromaticContact CG-CE2 3.8Å; F297-F299 HydrophobicContact CG-CE2 3.8Å; F297-F299 HydrophobicContact CG-CZ 4.23Å; F297-F299 PolarHBondContact O-N 3.46Å; F299-R344 HydrophobicContact CE2-CB 3.83Å; F299-R344 HydrophobicContact CE2-CG 3.84Å; F299-R344 HydrophobicContact CZ-CB 4.29Å; F299-I347 HydrophobicContact CE1-CG2 3.85Å; F299-I347 HydrophobicContact CZ-CB 4.22Å; F299-I347 HydrophobicContact CZ-CG2 3.81Å; F299-V348 HydrophobicContact CE1-CG2 3.68Å; F299-V348 HydrophobicContact CZ-CG2 3.69Å; F299-V359 HydrophobicContact CD1-CB 3.7Å; F299-V359 HydrophobicContact CD1-CG2 3.75Å; F299-V359 HydrophobicContact CE1-CB 4.16Å; F299-V359 HydrophobicContact CE1-CG2 3.71Å; F299-Y362 HydrophobicContact CB-CD1 4.44Å; F299-Y362 HydrophobicContact CB-CD2 4.48Å; F299-Y362 HydrophobicContact CB-CG 4.12Å; F299-Y362 HydrophobicContact CD2-CD1 4.24Å; F299-Y362 AromaticContact CD2-CD2 3.96Å; F299-Y362 HydrophobicContact CD2-CD2 3.96Å; F299-Y362 HydrophobicContact CD2-CE1 4.14Å; F299-Y362 AromaticContact CD2-CE2 3.85Å; F299-Y362 HydrophobicContact CD2-CE2 3.85Å; F299-Y362 HydrophobicContact CD2-CG 4.16Å; F299-Y362 AromaticContact CD2-CZ 3.97Å; F299-Y362 HydrophobicContact CE2-CD2 4.29Å; F299-Y362 AromaticContact CE2-CE2 3.82Å; F299-Y362 HydrophobicContact CE2-CE2 3.82Å; F299-Y362 HydrophobicContact CG-CD2 4.11Å; F299-Y362 HydrophobicContact CG-CE2 4.44Å; F299-Y362 HydrophobicContact CG-CG 4.22Å; F299-Y362 HydrophobicContact CZ-CE2 4.35Å
300L93.9Very high74.6Confident1 Ų140.8 Ų40.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-124.3118.7177.1-55.3178.4000108.1L161 T241 I302 M309 V359 L360 A361 Y362 I384L161-L300 HydrophobicContact CD1-CD2 4Å; L161-L300 HydrophobicContact CD2-CD1 4.25Å; L161-L300 HydrophobicContact CD2-CD2 4.08Å; L161-L300 HydrophobicContact CG-CD2 4.29Å; T241-L300 HydrophobicContact CG2-CD2 3.6Å; L300-I302 HydrophobicContact CB-CB 4.5Å; L300-I302 PolarHBondContact O-N 2.92Å; L300-M309 HydrophobicContact CD1-SD 4.46Å; L300-V359 PolarHBondContact N-O 3.43Å; L300-L360 HydrophobicContact CB-CD1 3.98Å; L300-L360 HydrophobicContact CD1-CD1 4.1Å; L300-L360 CarbonylContact O-C 3.57Å; L300-A361 PolarHBondContact O-N 3.17Å; L300-Y362 PolarHBondContact O-N 2.81Å; L300-I384 HydrophobicContact CD1-CD1 3.63Å
301T95Very high77.3Confident0 Ų036.5 Ų36.50%021%0.207CC..  trans-75.1-7.4170.657.40000112.7F164 I220 G221 I239 G240 T241 S303F164-T301 HydrophobicContact CE2-CG2 4.1Å; I220-T301 PolarHBondContact O-OG1 3.4Å; G221-T301 WeakPolarHBondContact O-CB 3.39Å; G221-T301 PolarHBondContact O-OG1 2.95Å; I239-T301 HydrophobicContact CB-CG2 4.49Å; I239-T301 HydrophobicContact CD1-CG2 4.2Å; I239-T301 HydrophobicContact CG1-CG2 4.19Å; G240-T301 WeakPolarHBondContact CA-OG1 3.41Å; T241-T301 PolarHBondContact N-OG1 3Å; T241-T301 PolarHBondContact OG1-N 3.42Å; T241-T301 PolarHBondContact OG1-OG1 3.06Å; T301-S303 PolarHBondContact O-N 2.83Å; T301-S303 VanDerWaalsContact O-N 3.07Å; T301-S303 PolarHBondContact O-OG 2.85Å
302I92.7Very high79.5Confident1 Ų136.3 Ų36.31%0.00520%0.202CC..  trans-54114.3174.4-60.7176.6000109.6C150 L161 I220 T241 L300 Q304 L360 A361C150-I302 WeakPolarHBondContact O-CG2 3.4Å; L161-I302 HydrophobicContact CD1-CD1 4.42Å; I220-I302 HydrophobicContact CG2-CG1 4.03Å; T241-I302 HydrophobicContact CG2-CD1 4.06Å; T241-I302 HydrophobicContact CG2-CG1 4.27Å; L300-I302 HydrophobicContact CB-CB 4.5Å; L300-I302 PolarHBondContact O-N 2.92Å; I302-Q304 WeakPolarHBondContact CG2-O 3.3Å; I302-L360 HydrophobicContact CB-CD1 4.2Å; I302-L360 VanDerWaalsContact O-CD1 3.22Å; I302-L360 WeakPolarHBondContact O-CD1 3.07Å; I302-A361 PolarHBondContact O-N 2.68Å
303S89.7Confident81.4Confident6 Ų636 Ų364%0.04220%0.2CC..SBendtrans-59.9-60.9173.655.50000113.3C150 T301 R363 S543 D544C150-S303 WeakPolarHBondContact O-CA 3.47Å; C150-S303 PolarHBondContact O-N 2.82Å; T301-S303 PolarHBondContact O-N 2.83Å; T301-S303 VanDerWaalsContact O-N 3.07Å; T301-S303 PolarHBondContact O-OG 2.85Å; S303-R363 PolarHBondContact OG-NH2 2.83Å; S303-S543 WeakPolarHBondContact O-CB 3.47Å; S303-D544 PolarHBondContact O-N 3.05Å
304Q88.6Confident83.7Confident56 Ų5629.2 Ų29.226%0.26217%0.171SC..SBendtrans-94.4116.8-170.2-167.9-17921.900110C150 T151 I302 L306 D544C150-Q304 PolarHBondContact O-N 2.68Å; T151-Q304 VanDerWaalsContact CB-OE1 3.27Å; T151-Q304 PolarHBondContact OG1-OE1 2.84Å; I302-Q304 WeakPolarHBondContact CG2-O 3.3Å; Q304-L306 PolarHBondContact O-N 2.99Å; Q304-D544 HydrophobicContact CB-CB 4.31Å; Q304-D544 HydrophobicContact CG-CB 4.48Å
305P85.9Confident86Confident3 Ų326.1 Ų26.12%0.01916%0.16CC..PPolyproline II helixtrans-61.3135.5179.4-19.229.7000111.3M309 I310 L360 D544 P546 P547P305-M309 HydrophobicContact CB-CE 4.15Å; P305-I310 HydrophobicContact CB-CD1 3.74Å; P305-I310 HydrophobicContact CB-CG1 4.36Å; P305-I310 HydrophobicContact CG-CD1 3.96Å; P305-L360 HydrophobicContact CB-CD2 4.11Å; P305-L360 HydrophobicContact CG-CD2 3.83Å; P305-D544 VanDerWaalsContact CD-O 3.29Å; P305-D544 WeakPolarHBondContact CD-O 3.5Å; P305-P546 HydrophobicContact CB-CB 4.01Å; P305-P546 HydrophobicContact CB-CG 4.26Å; P305-P546 HydrophobicContact CG-CB 4.08Å; P305-P546 HydrophobicContact CG-CG 3.88Å; P305-P547 WeakPolarHBondContact O-CD 3.31Å
306L86.7Confident88.2Confident5 Ų525.7 Ų25.73%0.02615%0.151CC..PPolyproline II helixtrans-78.1144.9177.5-50.1176.6000109.8I152 I158 Q304 G308 M309 W388I152-L306 HydrophobicContact CD1-CD1 3.98Å; I152-L306 HydrophobicContact CD1-CD2 3.78Å; I152-L306 HydrophobicContact CD1-CG 4.45Å; I152-L306 HydrophobicContact CG1-CD1 4.26Å; I152-L306 HydrophobicContact CG1-CD2 3.69Å; I158-L306 HydrophobicContact CD1-CD1 3.7Å; Q304-L306 PolarHBondContact O-N 2.99Å; L306-G308 PolarHBondContact O-N 2.66Å; L306-G308 VanDerWaalsContact O-N 3.13Å; L306-M309 HydrophobicContact CB-CB 4.04Å; L306-M309 HydrophobicContact CB-SD 4.04Å; L306-M309 HydrophobicContact CD1-SD 4.01Å; L306-M309 HydrophobicContact CG-SD 3.92Å; L306-M309 WeakPolarHBondContact O-CB 3.29Å; L306-M309 PolarHBondContact O-N 3.22Å; L306-W388 HydrophobicContact CB-CH2 3.67Å; L306-W388 HydrophobicContact CB-CZ2 3.85Å; L306-W388 HydrophobicContact CB-CZ3 4.34Å; L306-W388 HydrophobicContact CD1-CE3 4.15Å; L306-W388 HydrophobicContact CD1-CH2 3.55Å; L306-W388 HydrophobicContact CD1-CZ2 4.41Å; L306-W388 HydrophobicContact CD1-CZ3 3.4Å; L306-W388 HydrophobicContact CG-CH2 4.25Å
307P84Confident89.4Confident97 Ų9719.2 Ų19.263%0.6312%0.121SC*.THydrogen-bonded Turntrans-53.2118.8-176-2631.7000113.3M309 P547P307-M309 VanDerWaalsContact C-N 3.28Å; P307-M309 PolarHBondContact O-N 3Å; P307-P547 HydrophobicContact CB-CG 4.25Å; P307-P547 HydrophobicContact CG-CG 3.82Å
308G85.2Confident90.2Very high32 Ų3220.4 Ų20.433%0.3313%0.133SC..THydrogen-bonded Turntrans70.719.5179.400000114.7L306 N385 W388 E548L306-G308 PolarHBondContact O-N 2.66Å; L306-G308 VanDerWaalsContact O-N 3.13Å; G308-N385 WeakPolarHBondContact O-CB 3.29Å; G308-N385 PolarHBondContact O-ND2 2.93Å; G308-W388 PolarHBondContact O-NE1 2.86Å; G308-E548 WeakPolarHBondContact CA-OE1 3.38Å; G308-E548 PolarHBondContact N-OE1 2.8Å
309M88.8Confident90.6Very high0 Ų019.9 Ų19.90%013%0.129CC..  trans-76.6-38.3173.3-176.6-179.172.500112.5L300 P305 L306 P307 L360 I384 N385 W388L300-M309 HydrophobicContact CD1-SD 4.46Å; P305-M309 HydrophobicContact CB-CE 4.15Å; L306-M309 HydrophobicContact CB-CB 4.04Å; L306-M309 HydrophobicContact CB-SD 4.04Å; L306-M309 HydrophobicContact CD1-SD 4.01Å; L306-M309 HydrophobicContact CG-SD 3.92Å; L306-M309 WeakPolarHBondContact O-CB 3.29Å; L306-M309 PolarHBondContact O-N 3.22Å; P307-M309 VanDerWaalsContact C-N 3.28Å; P307-M309 PolarHBondContact O-N 3Å; M309-L360 HydrophobicContact CE-CD1 3.56Å; M309-L360 HydrophobicContact CE-CD2 3.85Å; M309-L360 HydrophobicContact CE-CG 4.37Å; M309-I384 WeakPolarHBondContact O-CA 3.45Å; M309-N385 PolarHBondContact O-N 3.29Å; M309-W388 HydrophobicContact CB-CD2 4.42Å; M309-W388 HydrophobicContact CB-CZ2 4.38Å; M309-W388 HydrophobicContact CG-CD2 4.26Å; M309-W388 HydrophobicContact CG-CG 4.2Å
310I90.6Very high90.6Very high8 Ų821.8 Ų21.84%0.04114%0.137CC..EExtended strand (participates in β ladder)trans-90.1124.7178.5-57175.3000108.4P305 F313 L360 V382 I504 P546P305-I310 HydrophobicContact CB-CD1 3.74Å; P305-I310 HydrophobicContact CB-CG1 4.36Å; P305-I310 HydrophobicContact CG-CD1 3.96Å; I310-F313 HydrophobicContact CD1-CE1 3.86Å; I310-F313 HydrophobicContact CD1-CE2 4.26Å; I310-F313 HydrophobicContact CD1-CZ 3.67Å; I310-F313 HydrophobicContact CG2-CD2 4.41Å; I310-L360 HydrophobicContact CD1-CD2 3.92Å; I310-L360 HydrophobicContact CG1-CD2 4.5Å; I310-V382 HydrophobicContact CD1-CG1 4.07Å; I310-V382 HydrophobicContact CG1-CB 4.46Å; I310-V382 HydrophobicContact CG1-CG1 4.21Å; I310-V382 HydrophobicContact CG2-CB 4.29Å; I310-V382 HydrophobicContact CG2-CG1 4.15Å; I310-I504 HydrophobicContact CB-CD1 3.96Å; I310-I504 HydrophobicContact CB-CG1 4.19Å; I310-I504 HydrophobicContact CG2-CD1 4.11Å; I310-I504 HydrophobicContact CG2-CG1 3.82Å; I310-P546 HydrophobicContact CD1-CG 4.25Å
311L88.8Confident90.7Very high45 Ų4522.6 Ų22.624%0.23614%0.143CC..EExtended strand (participates in β ladder)trans-82.7-46.5165.7-69.1176.8000110.9Q383 N385 H503 I504L311-Q383 HydrophobicContact CB-CB 4.48Å; L311-Q383 HydrophobicContact CD1-CG 4.48Å; L311-Q383 PolarHBondContact N-O 3.47Å; L311-N385 HydrophobicContact CD1-CB 4.42Å; L311-N385 HydrophobicContact CD2-CB 3.85Å; L311-N385 HydrophobicContact CG-CB 3.82Å; L311-H503 PolarHBondContact O-CE1 2.89Å; L311-H503 PolarHBondContact O-ND1 3Å; L311-I504 WeakPolarHBondContact O-CA 3.18Å
312H89.8Confident90.7Very high21 Ų2123.7 Ų23.710%0.09715%0.15CC..EExtended strand (participates in β ladder)trans-146.4137.2-175.9-61.4-70.9000109.7Q383 H503 H506 P508H312-Q383 HydrophobicContact CB-CB 4.15Å; H312-Q383 PolarHBondContact CD2-OE1 3.42Å; H312-Q383 VanDerWaalsContact CD2-OE1 3.27Å; H312-Q383 PolarHBondContact O-N 3.34Å; H312-H503 AromaticContact CE1-CE1 3.15Å; H312-H503 PolarHBondContact CE1-CE1 3.47Å; H312-H503 AromaticContact CE1-ND1 3.42Å; H312-H503 PolarHBondContact CE1-ND1 2.86Å; H312-H503 AromaticContact CE1-NE2 3.82Å; H312-H503 AromaticContact ND1-CE1 3.98Å; H312-H503 AromaticContact ND1-ND1 3.91Å; H312-H503 PolarHBondContact ND1-O 3.09Å; H312-H503 AromaticContact NE2-CE1 3.14Å; H312-H503 PolarHBondContact NE2-CE1 3.44Å; H312-H503 AromaticContact NE2-ND1 3.82Å; H312-H503 AromaticContact NE2-NE2 3.85Å; H312-H506 WeakPolarHBondContact CB-O 3.29Å; H312-H506 PolarHBondContact ND1-O 3.22Å; H312-P508 HydrophobicContact CB-CG 4.1Å
313F91.2Very high90.8Very high4 Ų426.2 Ų26.22%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-74.8140161.6-79.1-77.9000110.6I310 T380 V382 I504 L539 P546 F606I310-F313 HydrophobicContact CD1-CE1 3.86Å; I310-F313 HydrophobicContact CD1-CE2 4.26Å; I310-F313 HydrophobicContact CD1-CZ 3.67Å; I310-F313 HydrophobicContact CG2-CD2 4.41Å; F313-T380 HydrophobicContact CD1-CG2 3.9Å; F313-T380 HydrophobicContact CE1-CG2 4.06Å; F313-V382 HydrophobicContact CD1-CG1 3.87Å; F313-V382 HydrophobicContact CE1-CG1 4.17Å; F313-I504 HydrophobicContact CD2-CD1 4.48Å; F313-I504 HydrophobicContact CD2-CG1 3.87Å; F313-I504 WeakPolarHBondContact CD2-O 3.4Å; F313-I504 HydrophobicContact CE2-CD1 3.89Å; F313-I504 HydrophobicContact CE2-CG1 3.78Å; F313-I504 PolarHBondContact N-O 3.45Å; F313-I504 VanDerWaalsContact N-O 3.09Å; F313-L539 HydrophobicContact CB-CD1 3.77Å; F313-L539 HydrophobicContact CB-CD2 4.33Å; F313-L539 HydrophobicContact CD1-CD1 4.19Å; F313-L539 HydrophobicContact CD1-CD2 4.36Å; F313-L539 HydrophobicContact CD2-CD2 3.75Å; F313-L539 HydrophobicContact CE2-CD2 4.06Å; F313-L539 HydrophobicContact CG-CD1 3.98Å; F313-L539 HydrophobicContact CG-CD2 3.91Å; F313-L539 HydrophobicContact CZ-CD2 4.5Å; F313-P546 HydrophobicContact CE2-CG 3.8Å; F313-P546 HydrophobicContact CZ-CG 3.59Å; F313-F606 HydrophobicContact CZ-CE1 4.02Å
314G88.5Confident90.8Very high12 Ų1229.2 Ų29.212%0.12417%0.174CC..EExtended strand (participates in β ladder)trans-94-103.5164.600000110.3C356 A381G314-C356 VanDerWaalsContact CA-SG 3.59Å; G314-A381 WeakPolarHBondContact CA-O 3.48Å; G314-A381 PolarHBondContact N-O 3.49Å
315S89.9Confident90.8Very high55 Ų5526.7 Ų26.739%0.38516%0.163SC..EExtended strand (participates in β ladder)trans-141.4161.9177.1-177.60000110.9A381S315-A381 VanDerWaalsContact O-CB 3.29Å; S315-A381 WeakPolarHBondContact O-CB 3.4Å; S315-A381 PolarHBondContact O-N 2.86Å
316L94.4Very high90.5Very high22 Ų2229.8 Ų29.812%0.11518%0.179CC..EExtended strand (participates in β ladder)trans-57137.2154.5-174.179.4000109.6F540 L608 Y610L316-F540 HydrophobicContact CB-CB 4Å; L316-F540 HydrophobicContact CD2-CB 4.32Å; L316-F540 PolarHBondContact N-O 3.46Å; L316-L608 HydrophobicContact CD2-CD2 3.66Å; L316-Y610 HydrophobicContact CD2-CE2 4.09Å; L316-Y610 WeakPolarHBondContact CD2-OH 3.35Å
317I94.4Very high89.7Confident7 Ų735.6 Ų35.64%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-122.5139.7170.7-58.7175.1000107.7I347 H350 M351 I354 Y378 G379 A381I317-I347 HydrophobicContact CG2-CB 4.38Å; I317-I347 HydrophobicContact CG2-CG1 4.02Å; I317-I347 HydrophobicContact CG2-CG2 4.25Å; I317-H350 HydrophobicContact CD1-CB 3.84Å; I317-H350 HydrophobicContact CG1-CB 4.24Å; I317-H350 HydrophobicContact CG2-CB 3.67Å; I317-M351 VanDerWaalsContact CD1-CA 3.44Å; I317-M351 HydrophobicContact CD1-CB 3.79Å; I317-M351 VanDerWaalsContact CD1-N 3.3Å; I317-I354 HydrophobicContact CD1-CD1 3.98Å; I317-I354 HydrophobicContact CG1-CD1 3.93Å; I317-Y378 CarbonylContact O-C 3.57Å; I317-Y378 VanDerWaalsContact O-CA 3.25Å; I317-Y378 WeakPolarHBondContact O-CA 3.4Å; I317-Y378 WeakPolarHBondContact O-CB 3.4Å; I317-G379 PolarHBondContact N-O 3.2Å; I317-G379 PolarHBondContact O-N 3.2Å; I317-A381 HydrophobicContact CD1-CB 3.62Å; I317-A381 HydrophobicContact CG1-CB 4.11Å
318A94.5Very high88.9Confident38 Ų3838.1 Ų38.131%0.31421%0.213SC..EExtended strand (participates in β ladder)trans-138.9150.3168.200000109.7S377A318-S377 CarbonylContact C-O 3.59Å; A318-S377 VanDerWaalsContact CA-O 3.31Å; A318-S377 WeakPolarHBondContact CA-O 3.45Å
319S95.2Very high87.7Confident4 Ų439 Ų393%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-132.7149.7169.4159.10000108.2L343 E346 S377S319-L343 WeakPolarHBondContact OG-CD2 3.23Å; S319-E346 VanDerWaalsContact CB-OE2 3.29Å; S319-E346 WeakPolarHBondContact CB-OE2 3.45Å; S319-E346 PolarHBondContact OG-OE2 2.98Å; S319-S377 PolarHBondContact N-O 3.19Å; S319-S377 PolarHBondContact O-N 3.13Å
320K95.5Very high86.2Confident40 Ų4044.7 Ų44.717%0.17425%0.251CS..EExtended strand (participates in β ladder)trans-139.6146.6178-68.8-171.3-175.2630110.9L375 Q376 L582 D586 I612K320-L375 CarbonylContact C-O 3.6Å; K320-L375 VanDerWaalsContact CA-O 3.25Å; K320-L375 WeakPolarHBondContact CA-O 3.44Å; K320-Q376 VanDerWaalsContact CE-OE1 3.28Å; K320-Q376 HydrophobicContact CG-CB 4.03Å; K320-Q376 HydrophobicContact CG-CG 3.93Å; K320-L582 HydrophobicContact CD-CD1 4.45Å; K320-L582 HydrophobicContact CD-CD2 4.15Å; K320-D586 WeakPolarHBondContact CE-OD1 3.42Å; K320-D586 WeakPolarHBondContact CE-OD2 3.41Å; K320-D586 IonicContact NZ-OD1 2.78Å; K320-D586 PolarHBondContact NZ-OD1 3.12Å; K320-D586 IonicContact NZ-OD2 3.22Å; K320-D586 PolarHBondContact NZ-OD2 3.49Å; K320-I612 HydrophobicContact CD-CD1 4.28Å
321S95.4Very high84.8Confident18 Ų1845.1 Ų45.113%0.12626%0.255CS..EExtended strand (participates in β ladder)trans-142.3136.5175.4-1680000109.9R323 L375S321-R323 PolarHBondContact OG-NE 3.12Å; S321-R323 PolarHBondContact OG-NH2 3.46Å; S321-R323 VanDerWaalsContact OG-NH2 3.08Å; S321-L375 PolarHBondContact N-O 3.31Å; S321-L375 PolarHBondContact O-N 3.4Å
322V96.1Very high84.1Confident23 Ų2344.4 Ų44.414%0.13926%0.258CS..EExtended strand (participates in β ladder)trans-100.1131.4173.4-173.70000108.2V372 C373 I374 A575 L578 S579 L582V322-V372 HydrophobicContact CG1-CG1 3.42Å; V322-V372 VanDerWaalsContact CG1-CG1 3.42Å; V322-C373 WeakPolarHBondContact CA-O 3.38Å; V322-I374 HydrophobicContact CG2-CG1 4.41Å; V322-A575 HydrophobicContact CG1-CB 4.02Å; V322-L578 HydrophobicContact CG1-CB 4.35Å; V322-L578 HydrophobicContact CG2-CB 4.46Å; V322-S579 WeakPolarHBondContact CB-OG 3.35Å; V322-L582 HydrophobicContact CG2-CD1 3.49Å; V322-L582 VanDerWaalsContact CG2-CD1 3.49Å
323R93Very high83.8Confident54 Ų5446.1 Ų46.120%0.20427%0.268CS..EExtended strand (participates in β ladder)trans-134145.7-178.5-57.5-68.8172.5151.28.1111.6S321 W339 E342 C373 L375S321-R323 PolarHBondContact OG-NE 3.12Å; S321-R323 PolarHBondContact OG-NH2 3.46Å; S321-R323 VanDerWaalsContact OG-NH2 3.08Å; R323-W339 HydrophobicContact CB-CD2 4.05Å; R323-W339 HydrophobicContact CB-CE3 3.87Å; R323-W339 HydrophobicContact CB-CH2 3.61Å; R323-W339 HydrophobicContact CB-CZ2 3.83Å; R323-W339 HydrophobicContact CB-CZ3 3.64Å; R323-W339 HydrophobicContact CG-CD2 3.66Å; R323-W339 HydrophobicContact CG-CE3 3.82Å; R323-W339 HydrophobicContact CG-CG 4.04Å; R323-W339 HydrophobicContact CG-CH2 4.32Å; R323-W339 HydrophobicContact CG-CZ2 4.22Å; R323-W339 HydrophobicContact CG-CZ3 4.14Å; R323-E342 IonicContact CZ-OE1 2.67Å; R323-E342 IonicContact CZ-OE2 3.61Å; R323-E342 IonicContact NH1-OE2 3.87Å; R323-E342 IonicContact NH2-OE1 2.8Å; R323-E342 PolarHBondContact NH2-OE1 3.25Å; R323-E342 IonicContact NH2-OE2 3.47Å; R323-E342 PolarHBondContact NH2-OE2 3.32Å; R323-C373 PolarHBondContact N-O 2.98Å; R323-C373 PolarHBondContact O-N 3.04Å; R323-C373 PolarHBondContact O-SG 3.05Å; R323-C373 VanDerWaalsContact O-SG 3.4Å; R323-L375 HydrophobicContact CG-CD1 4.01Å
324L91.1Very high83.5Confident69 Ų6953.8 Ų53.836%0.36130%0.304SS..EExtended strand (participates in β ladder)trans-88.9131.2175.2-17173.4000110.4D326 D371 V372L324-D326 PolarHBondContact O-N 2.87Å; L324-D371 HydrophobicContact CD1-CB 4.48Å; L324-D371 WeakPolarHBondContact CD1-O 3.32Å; L324-V372 HydrophobicContact CD1-CG2 4.3Å
325L87.7Confident83.4Confident3 Ų358.5 Ų58.52%0.01632%0.321CS..  trans-89.983.1172.7-59172.5000108.8E229 K327 W339 I368 D371 C373E229-L325 HydrophobicContact CB-CD1 4.15Å; E229-L325 HydrophobicContact CG-CD1 4.41Å; E229-L325 HydrophobicContact CG-CD2 4.34Å; L325-K327 PolarHBondContact O-N 3.33Å; L325-W339 HydrophobicContact CD2-CH2 4.27Å; L325-W339 HydrophobicContact CD2-CZ3 4.18Å; L325-I368 HydrophobicContact CD1-CG2 3.89Å; L325-D371 WeakPolarHBondContact CB-O 3.41Å; L325-D371 PolarHBondContact N-O 2.9Å; L325-C373 HydrophobicContact CD1-CB 4.37Å; L325-C373 HydrophobicContact CG-CB 4.46Å
326D78.9Confident83.3Confident68 Ų6856.2 Ų56.236%0.36430%0.304SS..  trans-69.4121176.5179.616.6000111.2L324 N328 S329L324-D326 PolarHBondContact O-N 2.87Å; D326-N328 VanDerWaalsContact C-N 3.3Å; D326-N328 PolarHBondContact O-N 3.04Å; D326-N328 WeakPolarHBondContact OD1-CB 3.33Å; D326-N328 PolarHBondContact OD1-N 3.01Å; D326-N328 PolarHBondContact OD1-ND2 2.89Å; D326-S329 WeakPolarHBondContact OD2-CB 3.38Å; D326-S329 PolarHBondContact OD2-N 3.37Å; D326-S329 VanDerWaalsContact OD2-N 3.16Å
327K71Confident83.1Confident128 Ų12857.2 Ų57.256%0.55731%0.31SS*.SBendtrans-71.2-22.8177.1-57.8-178177.6-166.20113.5E231 T232 L325E231-K327 WeakPolarHBondContact OE2-CD 3.47Å; E231-K327 VanDerWaalsContact OE2-CE 3.28Å; E231-K327 WeakPolarHBondContact OE2-CE 3.47Å; E231-K327 IonicContact OE2-NZ 3.59Å; E231-K327 PolarHBondContact OE2-NZ 2.71Å; T232-K327 HydrophobicContact CG2-CG 4.29Å; L325-K327 PolarHBondContact O-N 3.33Å
328N66.2Low83Confident150 Ų15059.2 Ų59.280%0.80233%0.327SS*.SBendtrans-94.5-21.1-174.9-55.7-64000112.8D326D326-N328 VanDerWaalsContact C-N 3.3Å; D326-N328 PolarHBondContact O-N 3.04Å; D326-N328 WeakPolarHBondContact OD1-CB 3.33Å; D326-N328 PolarHBondContact OD1-N 3.01Å; D326-N328 PolarHBondContact OD1-ND2 2.89Å
329S61.5Low83Confident49 Ų4959 Ų5934%0.34332%0.318SS..SBendtrans-88.9123.4170.5-175.70000109.5D326 A331D326-S329 WeakPolarHBondContact OD2-CB 3.38Å; D326-S329 PolarHBondContact OD2-N 3.37Å; D326-S329 VanDerWaalsContact OD2-N 3.16Å; S329-A331 PolarHBondContact O-N 3.07Å
330P57.7Low83Confident121 Ų12158.9 Ų58.979%0.78632%0.317SS*.  trans-72.172.2165.732.2-33.7000108.4G332P330-G332 PolarHBondContact O-N 3.35Å
331A60.7Low82.9Confident17 Ų1760.4 Ų60.414%0.1433%0.327CS..  trans-70.973.3-178.900000109.7S329 F335S329-A331 PolarHBondContact O-N 3.07Å; A331-F335 HydrophobicContact CB-CB 4.4Å; A331-F335 HydrophobicContact CB-CD2 4.26Å; A331-F335 HydrophobicContact CB-CG 4.44Å
332G73.5Confident82.8Confident29 Ų2964.1 Ų64.130%0.29934%0.342SS..  trans-61169.6-175.500000113.3P330 Q334 F335P330-G332 PolarHBondContact O-N 3.35Å; G332-Q334 PolarHBondContact O-N 3.22Å; G332-F335 PolarHBondContact O-N 2.64Å
333I83.3Confident82.8Confident58 Ų5863 Ų6330%0.29734%0.335SS..Hα-helixtrans-31.8-45.9-179.4-65.8172.2000113.9L168 M170 F335 R336 D337L168-I333 HydrophobicContact CD2-CB 4.33Å; L168-I333 HydrophobicContact CD2-CG1 4.21Å; L168-I333 HydrophobicContact CD2-CG2 3.9Å; M170-I333 HydrophobicContact CB-CG1 3.99Å; M170-I333 HydrophobicContact CG-CD1 4.32Å; M170-I333 HydrophobicContact CG-CG1 3.71Å; M170-I333 HydrophobicContact SD-CG1 3.74Å; M170-I333 PolarHBondContact SD-N 3.44Å; I333-F335 VanDerWaalsContact C-N 3.3Å; I333-F335 PolarHBondContact O-N 2.96Å; I333-R336 PolarHBondContact O-N 3.45Å; I333-R336 VanDerWaalsContact O-N 3.12Å; I333-D337 WeakPolarHBondContact CG2-OD2 3.36Å; I333-D337 PolarHBondContact O-N 3.03Å
334Q84.3Confident82.9Confident165 Ų16560.7 Ų60.777%0.77133%0.326SS*.Hα-helixtrans-55.8-34.9179.7-63.7-179.51.500114.8G332 A338G332-Q334 PolarHBondContact O-N 3.22Å; Q334-A338 WeakPolarHBondContact O-CB 3.27Å; Q334-A338 PolarHBondContact O-N 3.49Å
335F87.1Confident83Confident111 Ų11160.8 Ų60.849%0.48733%0.33SS..Hα-helixtrans-72.8-41.6177-71.4-82.3000111.6A331 G332 I333 A338 W339A331-F335 HydrophobicContact CB-CB 4.4Å; A331-F335 HydrophobicContact CB-CD2 4.26Å; A331-F335 HydrophobicContact CB-CG 4.44Å; G332-F335 PolarHBondContact O-N 2.64Å; I333-F335 VanDerWaalsContact C-N 3.3Å; I333-F335 PolarHBondContact O-N 2.96Å; F335-A338 PolarHBondContact O-N 2.96Å; F335-W339 VanDerWaalsContact O-CG 3.26Å; F335-W339 PolarHBondContact O-N 3.02Å
336R89.1Confident83.3Confident7 Ų764.4 Ų64.43%0.02635%0.347CS..Hα-helixtrans-65.1-43.2175.1-61.5-64.8-174-82.6-12.7110.8L168 E229 V235 I333 A338 W339 W340L168-R336 HydrophobicContact CD1-CB 3.71Å; L168-R336 HydrophobicContact CD2-CB 4.25Å; E229-R336 IonicContact OE1-CZ 2.71Å; E229-R336 IonicContact OE1-NE 3.1Å; E229-R336 PolarHBondContact OE1-NE 3.22Å; E229-R336 IonicContact OE1-NH2 3.37Å; E229-R336 IonicContact OE2-CZ 3.14Å; E229-R336 VanDerWaalsContact OE2-CZ 3.3Å; E229-R336 IonicContact OE2-NE 3.2Å; E229-R336 PolarHBondContact OE2-NE 3.03Å; E229-R336 VanDerWaalsContact OE2-NE 3.09Å; E229-R336 IonicContact OE2-NH2 3.82Å; E229-R336 PolarHBondContact OE2-NH2 3.34Å; V235-R336 HydrophobicContact CG2-CG 4.2Å; I333-R336 PolarHBondContact O-N 3.45Å; I333-R336 VanDerWaalsContact O-N 3.12Å; R336-A338 VanDerWaalsContact C-N 3.31Å; R336-A338 PolarHBondContact O-N 3.25Å; R336-W339 VanDerWaalsContact CD-CZ3 3.46Å; R336-W339 PolarHBondContact O-N 3Å; R336-W340 PolarHBondContact O-N 3.27Å
337D90Very high84Confident43 Ų4361.2 Ų61.223%0.2333%0.33CS..Hα-helixtrans-56.8-43.8172.4-79.4-29.6000111.8L168 I333 W339 W340 L341L168-D337 WeakPolarHBondContact CB-OD1 3.48Å; I333-D337 WeakPolarHBondContact CG2-OD2 3.36Å; I333-D337 PolarHBondContact O-N 3.03Å; D337-W339 PolarHBondContact O-N 3.29Å; D337-W340 PolarHBondContact O-N 2.89Å; D337-L341 VanDerWaalsContact O-CB 3.27Å; D337-L341 WeakPolarHBondContact O-CB 3.44Å; D337-L341 PolarHBondContact O-N 3.45Å
338A92.2Very high85.1Confident49 Ų4955.7 Ų55.741%0.40531%0.307SS..Hα-helixtrans-64.2-37.417800000113Q334 F335 R336 L341 E342Q334-A338 WeakPolarHBondContact O-CB 3.27Å; Q334-A338 PolarHBondContact O-N 3.49Å; F335-A338 PolarHBondContact O-N 2.96Å; R336-A338 VanDerWaalsContact C-N 3.31Å; R336-A338 PolarHBondContact O-N 3.25Å; A338-L341 WeakPolarHBondContact O-CB 3.21Å; A338-L341 PolarHBondContact O-N 2.73Å; A338-E342 PolarHBondContact O-N 3.31Å
339W93.7Very high86.3Confident32 Ų3251.4 Ų51.412%0.12129%0.292CS..Hα-helixtrans-64.2-44.6176.2-61.2-12000112R323 L325 F335 R336 D337 E342 L343 L375R323-W339 HydrophobicContact CB-CD2 4.05Å; R323-W339 HydrophobicContact CB-CE3 3.87Å; R323-W339 HydrophobicContact CB-CH2 3.61Å; R323-W339 HydrophobicContact CB-CZ2 3.83Å; R323-W339 HydrophobicContact CB-CZ3 3.64Å; R323-W339 HydrophobicContact CG-CD2 3.66Å; R323-W339 HydrophobicContact CG-CE3 3.82Å; R323-W339 HydrophobicContact CG-CG 4.04Å; R323-W339 HydrophobicContact CG-CH2 4.32Å; R323-W339 HydrophobicContact CG-CZ2 4.22Å; R323-W339 HydrophobicContact CG-CZ3 4.14Å; L325-W339 HydrophobicContact CD2-CH2 4.27Å; L325-W339 HydrophobicContact CD2-CZ3 4.18Å; F335-W339 VanDerWaalsContact O-CG 3.26Å; F335-W339 PolarHBondContact O-N 3.02Å; R336-W339 VanDerWaalsContact CD-CZ3 3.46Å; R336-W339 PolarHBondContact O-N 3Å; D337-W339 PolarHBondContact O-N 3.29Å; W339-E342 PolarHBondContact O-N 3.05Å; W339-L343 PolarHBondContact O-N 3.08Å; W339-L375 HydrophobicContact CB-CD1 3.65Å; W339-L375 HydrophobicContact CD2-CD1 4.38Å; W339-L375 HydrophobicContact CE3-CD1 3.94Å; W339-L375 HydrophobicContact CG-CD1 4.34Å
340W94.4Very high87.7Confident3 Ų351.4 Ų51.41%0.01129%0.287CS..Hα-helixtrans-69.4-34.6174.8-69.5107.6000112.2R237 R336 D337 E342 L343 R344 E364 E365 C366 L375 S377R237-W340 VanDerWaalsContact NH1-CZ2 3.32Å; R336-W340 PolarHBondContact O-N 3.27Å; D337-W340 PolarHBondContact O-N 2.89Å; W340-E342 VanDerWaalsContact C-N 3.32Å; W340-E342 PolarHBondContact O-N 3.02Å; W340-L343 HydrophobicContact CD2-CD1 4.37Å; W340-L343 HydrophobicContact CE3-CD1 3.57Å; W340-L343 HydrophobicContact CZ3-CD1 3.66Å; W340-L343 PolarHBondContact O-N 3.49Å; W340-R344 WeakPolarHBondContact O-CB 3.45Å; W340-R344 WeakPolarHBondContact O-CD 3.2Å; W340-R344 WeakPolarHBondContact O-CG 3.2Å; W340-R344 PolarHBondContact O-N 3.47Å; W340-R344 VanDerWaalsContact O-N 3.08Å; W340-E364 HydrophobicContact CE3-CB 4.21Å; W340-E364 HydrophobicContact CE3-CG 4.02Å; W340-E364 HydrophobicContact CH2-CB 4.03Å; W340-E364 HydrophobicContact CZ3-CB 3.65Å; W340-E364 HydrophobicContact CZ3-CG 3.86Å; W340-E365 WeakPolarHBondContact CH2-O 3.43Å; W340-C366 HydrophobicContact CZ2-CB 4.38Å; W340-L375 HydrophobicContact CH2-CB 4.02Å; W340-L375 HydrophobicContact CH2-CD2 4.23Å; W340-L375 HydrophobicContact CZ2-CB 4.3Å; W340-L375 HydrophobicContact CZ2-CD2 3.73Å; W340-L375 HydrophobicContact CZ2-CG 4.44Å; W340-L375 HydrophobicContact CZ3-CB 4.36Å; W340-S377 WeakPolarHBondContact CZ3-OG 3.46Å
341L93.4Very high89.3Confident72 Ų7245.8 Ų45.838%0.37725%0.25SS..Hα-helixtrans-59.2-42.9174.7-176.965.3000111.6F297 D337 A338 R344 T345F297-L341 HydrophobicContact CE2-CD1 3.93Å; F297-L341 HydrophobicContact CZ-CD1 3.59Å; D337-L341 VanDerWaalsContact O-CB 3.27Å; D337-L341 WeakPolarHBondContact O-CB 3.44Å; D337-L341 PolarHBondContact O-N 3.45Å; A338-L341 WeakPolarHBondContact O-CB 3.21Å; A338-L341 PolarHBondContact O-N 2.73Å; L341-R344 PolarHBondContact O-N 3.35Å; L341-T345 HydrophobicContact CD1-CG2 4.48Å; L341-T345 WeakPolarHBondContact O-CG2 3.13Å; L341-T345 PolarHBondContact O-N 2.84Å; L341-T345 PolarHBondContact O-OG1 3.01Å
342E94.5Very high90.6Very high95 Ų9552 Ų5244%0.44427%0.27SS..Hα-helixtrans-57.5-55.9177.7-164.2-178.8116.200111.4R323 A338 W339 W340 R344 T345 E346R323-E342 IonicContact CZ-OE1 2.67Å; R323-E342 IonicContact CZ-OE2 3.61Å; R323-E342 IonicContact NH1-OE2 3.87Å; R323-E342 IonicContact NH2-OE1 2.8Å; R323-E342 PolarHBondContact NH2-OE1 3.25Å; R323-E342 IonicContact NH2-OE2 3.47Å; R323-E342 PolarHBondContact NH2-OE2 3.32Å; A338-E342 PolarHBondContact O-N 3.31Å; W339-E342 PolarHBondContact O-N 3.05Å; W340-E342 VanDerWaalsContact C-N 3.32Å; W340-E342 PolarHBondContact O-N 3.02Å; E342-R344 VanDerWaalsContact C-N 3.27Å; E342-R344 PolarHBondContact O-N 2.92Å; E342-T345 PolarHBondContact O-N 2.76Å; E342-T345 PolarHBondContact O-OG1 3.22Å; E342-E346 PolarHBondContact O-N 2.69Å
343L95.4Very high91.3Very high0 Ų053.1 Ų53.10%027%0.273CS..Hα-helixtrans-54.1-42.4177.1-63.2170.9000112.2S319 W339 W340 E346 I347 L375S319-L343 WeakPolarHBondContact OG-CD2 3.23Å; W339-L343 PolarHBondContact O-N 3.08Å; W340-L343 HydrophobicContact CD2-CD1 4.37Å; W340-L343 HydrophobicContact CE3-CD1 3.57Å; W340-L343 HydrophobicContact CZ3-CD1 3.66Å; W340-L343 PolarHBondContact O-N 3.49Å; L343-E346 PolarHBondContact O-N 2.91Å; L343-I347 WeakPolarHBondContact O-CG1 3.45Å; L343-I347 PolarHBondContact O-N 2.83Å; L343-L375 HydrophobicContact CD1-CB 3.69Å; L343-L375 HydrophobicContact CD1-CD1 4.46Å
344R95.2Very high91.4Very high5 Ų553 Ų532%0.01927%0.272CS..Hα-helixtrans-67-40178.7-68.1172.4-171.3148.9-0.3111.8F297 F299 W340 L341 E342 I347 V348 Y362 E364F297-R344 HydrophobicContact CD1-CB 3.97Å; F297-R344 HydrophobicContact CE1-CB 3.65Å; F297-R344 HydrophobicContact CE2-CB 4.42Å; F297-R344 HydrophobicContact CZ-CB 3.92Å; F299-R344 HydrophobicContact CE2-CB 3.83Å; F299-R344 HydrophobicContact CE2-CG 3.84Å; F299-R344 HydrophobicContact CZ-CB 4.29Å; W340-R344 WeakPolarHBondContact O-CB 3.45Å; W340-R344 WeakPolarHBondContact O-CD 3.2Å; W340-R344 WeakPolarHBondContact O-CG 3.2Å; W340-R344 PolarHBondContact O-N 3.47Å; W340-R344 VanDerWaalsContact O-N 3.08Å; L341-R344 PolarHBondContact O-N 3.35Å; E342-R344 VanDerWaalsContact C-N 3.27Å; E342-R344 PolarHBondContact O-N 2.92Å; R344-I347 PolarHBondContact O-N 2.85Å; R344-V348 WeakPolarHBondContact O-CG2 3.4Å; R344-V348 PolarHBondContact O-N 2.81Å; R344-Y362 WeakPolarHBondContact CG-OH 3.34Å; R344-E364 IonicContact CZ-OE1 2.66Å; R344-E364 IonicContact NE-OE1 3.96Å; R344-E364 PolarHBondContact NE-OE1 2.87Å; R344-E364 VanDerWaalsContact NH2-CD 3.32Å; R344-E364 IonicContact NH2-OE1 2.77Å; R344-E364 PolarHBondContact NH2-OE1 2.95Å; R344-E364 IonicContact NH2-OE2 3.35Å; R344-E364 PolarHBondContact NH2-OE2 3.45Å
345T92.7Very high91.4Very high72 Ų7246.4 Ų46.444%0.44225%0.249SC..Hα-helixtrans-66.7-37.4176.256.40000112.8F297 L341 E342 V348 A349F297-T345 HydrophobicContact CE1-CG2 4.23Å; F297-T345 HydrophobicContact CZ-CG2 4.31Å; L341-T345 HydrophobicContact CD1-CG2 4.48Å; L341-T345 WeakPolarHBondContact O-CG2 3.13Å; L341-T345 PolarHBondContact O-N 2.84Å; L341-T345 PolarHBondContact O-OG1 3.01Å; E342-T345 PolarHBondContact O-N 2.76Å; E342-T345 PolarHBondContact O-OG1 3.22Å; T345-V348 PolarHBondContact O-N 2.86Å; T345-A349 PolarHBondContact O-N 2.76Å
346E94.5Very high91.6Very high79 Ų7941.3 Ų41.337%0.36923%0.227SC..Hα-helixtrans-64-45.3173.9-172.2-178.6-176.600111.5S319 E342 L343 V348 A349 H350S319-E346 VanDerWaalsContact CB-OE2 3.29Å; S319-E346 WeakPolarHBondContact CB-OE2 3.45Å; S319-E346 PolarHBondContact OG-OE2 2.98Å; E342-E346 PolarHBondContact O-N 2.69Å; L343-E346 PolarHBondContact O-N 2.91Å; E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 PolarHBondContact O-N 2.84Å; E346-A349 WeakPolarHBondContact O-CA 3.49Å; E346-A349 WeakPolarHBondContact O-CB 3.36Å; E346-A349 PolarHBondContact O-N 2.73Å; E346-H350 PolarHBondContact O-CD2 2.75Å; E346-H350 VanDerWaalsContact O-CD2 3.26Å; E346-H350 PolarHBondContact O-N 3.44Å; E346-H350 IonicContact OE1-NE2 3.82Å
347I94.7Very high91.6Very high0 Ų044.9 Ų44.90%025%0.247CC..Hα-helixtrans-60.7-39175.8-73173.9000112F299 I317 L343 R344 A349 M351 V359 Y362F299-I347 HydrophobicContact CE1-CG2 3.85Å; F299-I347 HydrophobicContact CZ-CB 4.22Å; F299-I347 HydrophobicContact CZ-CG2 3.81Å; I317-I347 HydrophobicContact CG2-CB 4.38Å; I317-I347 HydrophobicContact CG2-CG1 4.02Å; I317-I347 HydrophobicContact CG2-CG2 4.25Å; L343-I347 WeakPolarHBondContact O-CG1 3.45Å; L343-I347 PolarHBondContact O-N 2.83Å; R344-I347 PolarHBondContact O-N 2.85Å; I347-A349 VanDerWaalsContact C-N 3.33Å; I347-M351 VanDerWaalsContact O-CB 3.28Å; I347-M351 WeakPolarHBondContact O-CB 3.47Å; I347-M351 PolarHBondContact O-N 3.45Å; I347-V359 HydrophobicContact CG2-CG2 3.89Å; I347-Y362 HydrophobicContact CD1-CE2 3.89Å
348V93.3Very high91.7Very high13 Ų1342.9 Ų42.98%0.07924%0.236CC..Hα-helixtrans-64.5-36.5173170.20000111.9F297 F299 R344 T345 E346 R352F297-V348 HydrophobicContact CD1-CG2 3.67Å; F297-V348 HydrophobicContact CE1-CG2 4.16Å; F299-V348 HydrophobicContact CE1-CG2 3.68Å; F299-V348 HydrophobicContact CZ-CG2 3.69Å; R344-V348 WeakPolarHBondContact O-CG2 3.4Å; R344-V348 PolarHBondContact O-N 2.81Å; T345-V348 PolarHBondContact O-N 2.86Å; E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 PolarHBondContact O-N 2.84Å; V348-R352 HydrophobicContact CG1-CG 4.48Å; V348-R352 VanDerWaalsContact CG1-CZ 3.49Å; V348-R352 WeakPolarHBondContact O-CB 3.49Å; V348-R352 VanDerWaalsContact O-CG 3.29Å; V348-R352 WeakPolarHBondContact O-CG 3.41Å; V348-R352 PolarHBondContact O-N 3.06Å; V348-R352 VanDerWaalsContact O-N 3.1Å
349A90.9Very high91.8Very high59 Ų5940.5 Ų40.549%0.48822%0.217SC..Hα-helixtrans-63.9-50.8176.600000111.2T345 E346 I347 M351 R352 S353T345-A349 PolarHBondContact O-N 2.76Å; E346-A349 WeakPolarHBondContact O-CA 3.49Å; E346-A349 WeakPolarHBondContact O-CB 3.36Å; E346-A349 PolarHBondContact O-N 2.73Å; I347-A349 VanDerWaalsContact C-N 3.33Å; A349-M351 VanDerWaalsContact C-N 3.35Å; A349-M351 PolarHBondContact O-N 3.04Å; A349-R352 PolarHBondContact O-N 3.23Å; A349-S353 PolarHBondContact O-N 2.82Å
350H90.8Very high91.9Very high49 Ų4939 Ų3923%0.22721%0.211CC..Hα-helixtrans-60.8-40.2175.9-69.4-60.4000113.1I317 E346 R352 S353 I354I317-H350 HydrophobicContact CD1-CB 3.84Å; I317-H350 HydrophobicContact CG1-CB 4.24Å; I317-H350 HydrophobicContact CG2-CB 3.67Å; E346-H350 PolarHBondContact O-CD2 2.75Å; E346-H350 VanDerWaalsContact O-CD2 3.26Å; E346-H350 PolarHBondContact O-N 3.44Å; E346-H350 IonicContact OE1-NE2 3.82Å; H350-R352 VanDerWaalsContact C-N 3.29Å; H350-R352 PolarHBondContact O-N 3.18Å; H350-S353 PolarHBondContact O-N 3.37Å; H350-S353 PolarHBondContact O-OG 2.95Å; H350-I354 WeakPolarHBondContact O-CD1 3.38Å; H350-I354 WeakPolarHBondContact O-CG1 3.42Å; H350-I354 PolarHBondContact O-N 3.21Å; H350-I354 VanDerWaalsContact O-N 3.09Å
351M91.6Very high91.9Very high4 Ų438.9 Ų38.92%0.0221%0.21CC..Hα-helixtrans-59.9-42.8177.3-177.4-157.173.700111.1P298 I317 I347 A349 G355 C356 D357 A358 V359 A381P298-M351 HydrophobicContact CG-CE 3.79Å; P298-M351 HydrophobicContact CG-SD 3.89Å; I317-M351 VanDerWaalsContact CD1-CA 3.44Å; I317-M351 HydrophobicContact CD1-CB 3.79Å; I317-M351 VanDerWaalsContact CD1-N 3.3Å; I347-M351 VanDerWaalsContact O-CB 3.28Å; I347-M351 WeakPolarHBondContact O-CB 3.47Å; I347-M351 PolarHBondContact O-N 3.45Å; A349-M351 VanDerWaalsContact C-N 3.35Å; A349-M351 PolarHBondContact O-N 3.04Å; M351-G355 PolarHBondContact O-N 3.13Å; M351-C356 HydrophobicContact CG-CB 3.92Å; M351-C356 PolarHBondContact O-N 3.49Å; M351-D357 VanDerWaalsContact SD-C 3.59Å; M351-A358 WeakPolarHBondContact SD-CA 3.48Å; M351-A358 PolarHBondContact SD-N 3.29Å; M351-A358 VanDerWaalsContact SD-N 3.37Å; M351-V359 HydrophobicContact CB-CG2 4.15Å; M351-V359 HydrophobicContact CG-CG2 3.94Å; M351-V359 HydrophobicContact SD-CG2 3.69Å; M351-A381 HydrophobicContact CG-CB 4.36Å
352R89.2Confident92.1Very high148 Ų14835.4 Ų35.456%0.55819%0.192SC*.Hα-helixtrans-73.6-30.8178.7-72.2173.6176.8169.63.5113.5V348 A349 H350 G355V348-R352 HydrophobicContact CG1-CG 4.48Å; V348-R352 VanDerWaalsContact CG1-CZ 3.49Å; V348-R352 WeakPolarHBondContact O-CB 3.49Å; V348-R352 VanDerWaalsContact O-CG 3.29Å; V348-R352 WeakPolarHBondContact O-CG 3.41Å; V348-R352 PolarHBondContact O-N 3.06Å; V348-R352 VanDerWaalsContact O-N 3.1Å; A349-R352 PolarHBondContact O-N 3.23Å; H350-R352 VanDerWaalsContact C-N 3.29Å; H350-R352 PolarHBondContact O-N 3.18Å; R352-G355 PolarHBondContact O-N 3Å
353S87.1Confident92.1Very high52 Ų5232.4 Ų32.436%0.36418%0.177SC..Hα-helixtrans-72.3-34176.168.50000112.2A349 H350 G355A349-S353 PolarHBondContact O-N 2.82Å; H350-S353 PolarHBondContact O-N 3.37Å; H350-S353 PolarHBondContact O-OG 2.95Å; S353-G355 PolarHBondContact O-N 3.05Å
354I85.2Confident92.1Very high54 Ų5432.4 Ų32.428%0.27718%0.177SC..Hα-helixtrans-71-18.1171.7-65.4160.1000112.1I317 H350I317-I354 HydrophobicContact CD1-CD1 3.98Å; I317-I354 HydrophobicContact CG1-CD1 3.93Å; H350-I354 WeakPolarHBondContact O-CD1 3.38Å; H350-I354 WeakPolarHBondContact O-CG1 3.42Å; H350-I354 PolarHBondContact O-N 3.21Å; H350-I354 VanDerWaalsContact O-N 3.09Å
355G84.5Confident92.1Very high28 Ų2833 Ų3329%0.28918%0.18SC..THydrogen-bonded Turntrans83.925.7-177.600000114M351 R352 S353M351-G355 PolarHBondContact O-N 3.13Å; R352-G355 PolarHBondContact O-N 3Å; S353-G355 PolarHBondContact O-N 3.05Å
356C90.4Very high92.2Very high3 Ų330.9 Ų30.92%0.0217%0.167CC..  trans-97.6157.5172.2-71.20000111.8G314 M351 A381 V382G314-C356 VanDerWaalsContact CA-SG 3.59Å; M351-C356 HydrophobicContact CG-CB 3.92Å; M351-C356 PolarHBondContact O-N 3.49Å; C356-A381 HydrophobicContact CB-CB 3.81Å; C356-V382 WeakPolarHBondContact CB-O 3.47Å
357D89.1Confident92.1Very high83 Ų8328.5 Ų28.544%0.44416%0.159SC..SBendtrans-107.7-15.6-173.4-61.7-49.9000113.3P298 M351 V382 Q383P298-D357 WeakPolarHBondContact CB-O 3.04Å; M351-D357 VanDerWaalsContact SD-C 3.59Å; D357-V382 PolarHBondContact N-O 2.87Å; D357-Q383 WeakPolarHBondContact OD2-CG 3.2Å
358A92.3Very high91.9Very high0 Ų030.8 Ų30.80%017%0.17CC..EExtended strand (participates in β ladder)trans-149.5164.7177.400000113.2L292 P298 M351 V382 I384L292-A358 HydrophobicContact CD2-CB 4.49Å; P298-A358 HydrophobicContact CB-CB 4.35Å; P298-A358 VanDerWaalsContact O-CA 3.32Å; P298-A358 WeakPolarHBondContact O-CA 3.23Å; P298-A358 WeakPolarHBondContact O-CB 3.36Å; M351-A358 WeakPolarHBondContact SD-CA 3.48Å; M351-A358 PolarHBondContact SD-N 3.29Å; M351-A358 VanDerWaalsContact SD-N 3.37Å; A358-V382 HydrophobicContact CB-CG2 4.49Å; A358-V382 PolarHBondContact N-O 3.03Å; A358-V382 PolarHBondContact O-N 3.35Å; A358-I384 HydrophobicContact CB-CD1 3.29Å; A358-I384 HydrophobicContact CB-CG1 3.77Å
359V95.1Very high91.7Very high0 Ų031.3 Ų31.30%017%0.171CC..EExtended strand (participates in β ladder)trans-114.3118172.7-173.80000109.6P298 F299 L300 I347 M351 Y362 T380P298-V359 PolarHBondContact O-N 3.32Å; F299-V359 HydrophobicContact CD1-CB 3.7Å; F299-V359 HydrophobicContact CD1-CG2 3.75Å; F299-V359 HydrophobicContact CE1-CB 4.16Å; F299-V359 HydrophobicContact CE1-CG2 3.71Å; L300-V359 PolarHBondContact N-O 3.43Å; I347-V359 HydrophobicContact CG2-CG2 3.89Å; M351-V359 HydrophobicContact CB-CG2 4.15Å; M351-V359 HydrophobicContact CG-CG2 3.94Å; M351-V359 HydrophobicContact SD-CG2 3.69Å; V359-Y362 HydrophobicContact CG1-CD2 4.27Å; V359-T380 CarbonylContact C-O 3.58Å; V359-T380 WeakPolarHBondContact CA-O 3.39Å
360L94.8Very high91.5Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-93154.5176.4-170.465.6000111.1L300 I302 P305 M309 I310 Y362 T380 V382L300-L360 HydrophobicContact CB-CD1 3.98Å; L300-L360 HydrophobicContact CD1-CD1 4.1Å; L300-L360 CarbonylContact O-C 3.57Å; I302-L360 HydrophobicContact CB-CD1 4.2Å; I302-L360 VanDerWaalsContact O-CD1 3.22Å; I302-L360 WeakPolarHBondContact O-CD1 3.07Å; P305-L360 HydrophobicContact CB-CD2 4.11Å; P305-L360 HydrophobicContact CG-CD2 3.83Å; M309-L360 HydrophobicContact CE-CD1 3.56Å; M309-L360 HydrophobicContact CE-CD2 3.85Å; M309-L360 HydrophobicContact CE-CG 4.37Å; I310-L360 HydrophobicContact CD1-CD2 3.92Å; I310-L360 HydrophobicContact CG1-CD2 4.5Å; L360-Y362 PolarHBondContact O-N 3.33Å; L360-T380 PolarHBondContact N-O 2.53Å; L360-T380 PolarHBondContact O-N 2.59Å; L360-V382 HydrophobicContact CB-CG1 4.47Å; L360-V382 HydrophobicContact CB-CG2 4.02Å
361A95.2Very high91.4Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans52.343.7177.700000112.5L300 I302 S542 S543L300-A361 PolarHBondContact O-N 3.17Å; I302-A361 PolarHBondContact O-N 2.68Å; A361-S542 WeakPolarHBondContact CB-OG 3.37Å; A361-S542 PolarHBondContact O-OG 3.09Å; A361-S543 VanDerWaalsContact CB-CA 3.4Å
362Y96.7Very high91.5Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-69.1135.3179.2-179.1-95.6000111.3F164 Q223 I239 F299 L300 R344 I347 V359 L360 E364 S377 Y378F164-Y362 AromaticContact CE2-CD1 3.8Å; F164-Y362 HydrophobicContact CE2-CD1 3.8Å; F164-Y362 HydrophobicContact CE2-CE1 4.04Å; F164-Y362 AromaticContact CZ-CD1 3.95Å; F164-Y362 HydrophobicContact CZ-CD1 3.95Å; F164-Y362 AromaticContact CZ-CE1 3.69Å; F164-Y362 HydrophobicContact CZ-CE1 3.69Å; Q223-Y362 PolarHBondContact NE2-O 3.28Å; I239-Y362 HydrophobicContact CD1-CD1 4.19Å; I239-Y362 HydrophobicContact CD1-CE1 4.27Å; F299-Y362 HydrophobicContact CB-CD1 4.44Å; F299-Y362 HydrophobicContact CB-CD2 4.48Å; F299-Y362 HydrophobicContact CB-CG 4.12Å; F299-Y362 HydrophobicContact CD2-CD1 4.24Å; F299-Y362 AromaticContact CD2-CD2 3.96Å; F299-Y362 HydrophobicContact CD2-CD2 3.96Å; F299-Y362 HydrophobicContact CD2-CE1 4.14Å; F299-Y362 AromaticContact CD2-CE2 3.85Å; F299-Y362 HydrophobicContact CD2-CE2 3.85Å; F299-Y362 HydrophobicContact CD2-CG 4.16Å; F299-Y362 AromaticContact CD2-CZ 3.97Å; F299-Y362 HydrophobicContact CE2-CD2 4.29Å; F299-Y362 AromaticContact CE2-CE2 3.82Å; F299-Y362 HydrophobicContact CE2-CE2 3.82Å; F299-Y362 HydrophobicContact CG-CD2 4.11Å; F299-Y362 HydrophobicContact CG-CE2 4.44Å; F299-Y362 HydrophobicContact CG-CG 4.22Å; F299-Y362 HydrophobicContact CZ-CE2 4.35Å; L300-Y362 PolarHBondContact O-N 2.81Å; R344-Y362 WeakPolarHBondContact CG-OH 3.34Å; I347-Y362 HydrophobicContact CD1-CE2 3.89Å; V359-Y362 HydrophobicContact CG1-CD2 4.27Å; L360-Y362 PolarHBondContact O-N 3.33Å; Y362-E364 HydrophobicContact CE1-CG 3.6Å; Y362-E364 VanDerWaalsContact CE1-OE1 3.27Å; Y362-E364 WeakPolarHBondContact CE1-OE1 3.41Å; Y362-E364 WeakPolarHBondContact OH-CG 3.07Å; Y362-E364 PolarHBondContact OH-OE1 2.8Å; Y362-S377 WeakPolarHBondContact OH-CB 3.5Å; Y362-S377 PolarHBondContact OH-OG 2.89Å; Y362-Y378 WeakPolarHBondContact CA-O 3.37Å
363R95.7Very high91.7Very high31 Ų3125.4 Ų25.412%0.11714%0.141CC..EExtended strand (participates in β ladder)trans-141151.1-177.8-67-176175.9-83.3-10.1111.2S303 S377 Y378S303-R363 PolarHBondContact OG-NH2 2.83Å; R363-S377 WeakPolarHBondContact O-CA 3.38Å; R363-Y378 HydrophobicContact CB-CD1 4.34Å; R363-Y378 HydrophobicContact CB-CE1 3.87Å; R363-Y378 HydrophobicContact CB-CE2 4.17Å; R363-Y378 WeakPolarHBondContact CD-OH 2.84Å; R363-Y378 PolarHBondContact N-O 3.1Å; R363-Y378 PolarHBondContact O-N 3.34Å
364E95.4Very high92.1Very high0 Ų023.1 Ų23.10%013%0.125CC..EExtended strand (participates in β ladder)trans-127137.2174.5-64.8-176.9174.700109.2H225 R237 I239 W340 R344 Y362 Q376H225-E364 PolarHBondContact CE1-O 3.44Å; R237-E364 VanDerWaalsContact NH1-CB 3.35Å; R237-E364 IonicContact NH1-OE2 3.38Å; R237-E364 PolarHBondContact NH1-OE2 2.89Å; I239-E364 HydrophobicContact CD1-CB 4.44Å; I239-E364 HydrophobicContact CD1-CG 4.21Å; W340-E364 HydrophobicContact CE3-CB 4.21Å; W340-E364 HydrophobicContact CE3-CG 4.02Å; W340-E364 HydrophobicContact CH2-CB 4.03Å; W340-E364 HydrophobicContact CZ3-CB 3.65Å; W340-E364 HydrophobicContact CZ3-CG 3.86Å; R344-E364 IonicContact CZ-OE1 2.66Å; R344-E364 IonicContact NE-OE1 3.96Å; R344-E364 PolarHBondContact NE-OE1 2.87Å; R344-E364 VanDerWaalsContact NH2-CD 3.32Å; R344-E364 IonicContact NH2-OE1 2.77Å; R344-E364 PolarHBondContact NH2-OE1 2.95Å; R344-E364 IonicContact NH2-OE2 3.35Å; R344-E364 PolarHBondContact NH2-OE2 3.45Å; Y362-E364 HydrophobicContact CE1-CG 3.6Å; Y362-E364 VanDerWaalsContact CE1-OE1 3.27Å; Y362-E364 WeakPolarHBondContact CE1-OE1 3.41Å; Y362-E364 WeakPolarHBondContact OH-CG 3.07Å; Y362-E364 PolarHBondContact OH-OE1 2.8Å; E364-Q376 CarbonylContact C-O 3.59Å; E364-Q376 WeakPolarHBondContact CA-O 2.96Å
365E94.4Very high92.6Very high19 Ų1920.7 Ų20.79%0.08911%0.112CC..EExtended strand (participates in β ladder)trans-137.2139.4-176.1-67.1-73.2176.900109W340 Q376 Y378 R611W340-E365 WeakPolarHBondContact CH2-O 3.43Å; E365-Q376 HydrophobicContact CB-CB 4.37Å; E365-Q376 PolarHBondContact N-O 2.77Å; E365-Q376 PolarHBondContact O-N 3.05Å; E365-Y378 HydrophobicContact CG-CE1 3.81Å; E365-R611 VanDerWaalsContact CD-NH1 3.33Å; E365-R611 IonicContact OE1-CZ 2.77Å; E365-R611 IonicContact OE1-NH1 3.62Å; E365-R611 PolarHBondContact OE1-NH1 3.13Å; E365-R611 IonicContact OE2-CZ 3.09Å; E365-R611 IonicContact OE2-NH1 2.66Å; E365-R611 PolarHBondContact OE2-NH1 3.43Å
366C94.3Very high93.2Very high26 Ų2619.7 Ų19.718%0.17610%0.1CC..EExtended strand (participates in β ladder)trans-128.2129.7178-173.40000109.5D227 W340 I374 L375D227-C366 VanDerWaalsContact OD1-CB 3.31Å; D227-C366 WeakPolarHBondContact OD1-CB 3.46Å; W340-C366 HydrophobicContact CZ2-CB 4.38Å; C366-I374 WeakPolarHBondContact CA-O 3.47Å; C366-L375 HydrophobicContact CB-CD2 4.41Å
367T93.6Very high93.5Very high30 Ų3019.5 Ų19.518%0.18410%0.099CC..EExtended strand (participates in β ladder)trans-117.6120.2171.7-57.20000108.4C373 I374 I612T367-C373 CarbonylContact O-C 3.54Å; T367-C373 WeakPolarHBondContact O-CA 3.38Å; T367-I374 PolarHBondContact N-O 2.82Å; T367-I374 PolarHBondContact O-N 2.9Å; T367-I612 VanDerWaalsContact CG2-O 3.25Å; T367-I612 WeakPolarHBondContact CG2-O 3.14Å; T367-I612 PolarHBondContact OG1-O 2.97Å
368I90.9Very high93.8Very high48 Ų4815.6 Ų15.625%0.2468%0.078CC..EExtended strand (participates in β ladder)trans-106.1135.9179-60.8162000109.2D227 L228 E229 L325 C373D227-I368 HydrophobicContact CB-CD1 4.02Å; L228-I368 WeakPolarHBondContact O-CD1 3.47Å; E229-I368 HydrophobicContact CB-CD1 4.4Å; E229-I368 HydrophobicContact CG-CD1 3.75Å; L325-I368 HydrophobicContact CD1-CG2 3.89Å; I368-C373 HydrophobicContact CG1-CB 3.93Å
369Y89.4Confident94.1Very high24 Ų2415.6 Ų15.69%0.0948%0.078CC..EExtended strand (participates in β ladder)trans-137.2112.5170.2170.5-95000108.5D371 V372 V614 E616Y369-D371 PolarHBondContact O-N 3.4Å; Y369-D371 VanDerWaalsContact O-N 3.08Å; Y369-V372 PolarHBondContact N-O 2.81Å; Y369-V372 PolarHBondContact O-N 3.41Å; Y369-V372 VanDerWaalsContact O-O 3.09Å; Y369-V614 HydrophobicContact CD1-CG1 3.9Å; Y369-V614 HydrophobicContact CD2-CB 4.35Å; Y369-V614 HydrophobicContact CD2-CG1 4.11Å; Y369-V614 WeakPolarHBondContact CD2-O 3.38Å; Y369-V614 HydrophobicContact CG-CB 4.01Å; Y369-V614 HydrophobicContact CG-CG1 3.68Å; Y369-E616 WeakPolarHBondContact OH-CA 3.35Å
370E86.2Confident94.1Very high94 Ų9415.6 Ų15.644%0.4398%0.078SC..THydrogen-bonded Turntrans50.9-106.9-174.4-55.8-160.2134.100113.6K570E370-K570 IonicContact OE1-NZ 3.22Å; E370-K570 PolarHBondContact OE1-NZ 2.89Å; E370-K570 WeakPolarHBondContact OE2-CD 3.28Å; E370-K570 WeakPolarHBondContact OE2-CE 3.36Å; E370-K570 VanDerWaalsContact OE2-CG 3.25Å; E370-K570 WeakPolarHBondContact OE2-CG 3.44Å; E370-K570 IonicContact OE2-NZ 3.01Å; E370-K570 PolarHBondContact OE2-NZ 3.16Å
371D89.1Confident94.1Very high40 Ų4015.6 Ų15.621%0.2148%0.078CC..THydrogen-bonded Turntrans-104.510.2178.961.3-8.6000113.2L324 L325 Y369 G571L324-D371 HydrophobicContact CD1-CB 4.48Å; L324-D371 WeakPolarHBondContact CD1-O 3.32Å; L325-D371 WeakPolarHBondContact CB-O 3.41Å; L325-D371 PolarHBondContact N-O 2.9Å; Y369-D371 PolarHBondContact O-N 3.4Å; Y369-D371 VanDerWaalsContact O-N 3.08Å; D371-G571 WeakPolarHBondContact OD1-CA 3.49Å; D371-G571 PolarHBondContact OD1-N 2.89Å; D371-G571 WeakPolarHBondContact OD2-CA 3.33Å; D371-G571 PolarHBondContact OD2-N 2.77Å
372V92.3Very high94Very high2 Ų215.6 Ų15.61%0.0128%0.078CC..EExtended strand (participates in β ladder)trans-117.3135.3177-173.40000110.7V322 L324 Y369 A574 A575 L578V322-V372 HydrophobicContact CG1-CG1 3.42Å; V322-V372 VanDerWaalsContact CG1-CG1 3.42Å; L324-V372 HydrophobicContact CD1-CG2 4.3Å; Y369-V372 PolarHBondContact N-O 2.81Å; Y369-V372 PolarHBondContact O-N 3.41Å; Y369-V372 VanDerWaalsContact O-O 3.09Å; V372-A574 HydrophobicContact CG2-CB 4.06Å; V372-A575 HydrophobicContact CG1-CB 4.07Å; V372-A575 HydrophobicContact CG2-CB 4.14Å; V372-L578 HydrophobicContact CB-CD1 4.42Å; V372-L578 HydrophobicContact CG1-CD1 3.87Å
373C92.9Very high93.8Very high0 Ų018 Ų180%09%0.089CC..EExtended strand (participates in β ladder)trans-119.1139.4171.263.70000111.5V322 R323 L325 T367 I368 L375V322-C373 WeakPolarHBondContact CA-O 3.38Å; R323-C373 PolarHBondContact N-O 2.98Å; R323-C373 PolarHBondContact O-N 3.04Å; R323-C373 PolarHBondContact O-SG 3.05Å; R323-C373 VanDerWaalsContact O-SG 3.4Å; L325-C373 HydrophobicContact CD1-CB 4.37Å; L325-C373 HydrophobicContact CG-CB 4.46Å; T367-C373 CarbonylContact O-C 3.54Å; T367-C373 WeakPolarHBondContact O-CA 3.38Å; I368-C373 HydrophobicContact CG1-CB 3.93Å; C373-L375 HydrophobicContact CB-CD2 4.42Å
374I96.3Very high93.4Very high4 Ų416.6 Ų16.62%0.0218%0.084CC..EExtended strand (participates in β ladder)trans-105.5111.2171.9-56.2176.3000106.6V322 C366 T367 L578 L582 I612 V614 I619V322-I374 HydrophobicContact CG2-CG1 4.41Å; C366-I374 WeakPolarHBondContact CA-O 3.47Å; T367-I374 PolarHBondContact N-O 2.82Å; T367-I374 PolarHBondContact O-N 2.9Å; I374-L578 HydrophobicContact CD1-CD1 4.47Å; I374-L578 HydrophobicContact CD1-CD2 4.37Å; I374-L582 HydrophobicContact CD1-CD1 4.43Å; I374-L582 HydrophobicContact CG2-CD1 3.92Å; I374-L582 HydrophobicContact CG2-CD2 4.47Å; I374-I612 HydrophobicContact CD1-CG2 4.13Å; I374-I612 HydrophobicContact CG2-CD1 4.4Å; I374-V614 HydrophobicContact CD1-CG2 3.67Å; I374-I619 HydrophobicContact CD1-CD1 4.5Å
375L96.2Very high93Very high3 Ų318 Ų182%0.0169%0.092CC..EExtended strand (participates in β ladder)trans-94.1134.2176.1-47.9179.1000108.5K320 S321 R323 W339 W340 L343 C366 C373K320-L375 CarbonylContact C-O 3.6Å; K320-L375 VanDerWaalsContact CA-O 3.25Å; K320-L375 WeakPolarHBondContact CA-O 3.44Å; S321-L375 PolarHBondContact N-O 3.31Å; S321-L375 PolarHBondContact O-N 3.4Å; R323-L375 HydrophobicContact CG-CD1 4.01Å; W339-L375 HydrophobicContact CB-CD1 3.65Å; W339-L375 HydrophobicContact CD2-CD1 4.38Å; W339-L375 HydrophobicContact CE3-CD1 3.94Å; W339-L375 HydrophobicContact CG-CD1 4.34Å; W340-L375 HydrophobicContact CH2-CB 4.02Å; W340-L375 HydrophobicContact CH2-CD2 4.23Å; W340-L375 HydrophobicContact CZ2-CB 4.3Å; W340-L375 HydrophobicContact CZ2-CD2 3.73Å; W340-L375 HydrophobicContact CZ2-CG 4.44Å; W340-L375 HydrophobicContact CZ3-CB 4.36Å; L343-L375 HydrophobicContact CD1-CB 3.69Å; L343-L375 HydrophobicContact CD1-CD1 4.46Å; C366-L375 HydrophobicContact CB-CD2 4.41Å; C373-L375 HydrophobicContact CB-CD2 4.42Å
376Q96.3Very high92.4Very high6 Ų620.6 Ų20.63%0.02811%0.11CC..EExtended strand (participates in β ladder)trans-133.8134.9176.3177.3173.5-800110.6K320 E364 E365 Y378K320-Q376 VanDerWaalsContact CE-OE1 3.28Å; K320-Q376 HydrophobicContact CG-CB 4.03Å; K320-Q376 HydrophobicContact CG-CG 3.93Å; E364-Q376 CarbonylContact C-O 3.59Å; E364-Q376 WeakPolarHBondContact CA-O 2.96Å; E365-Q376 HydrophobicContact CB-CB 4.37Å; E365-Q376 PolarHBondContact N-O 2.77Å; E365-Q376 PolarHBondContact O-N 3.05Å; Q376-Y378 HydrophobicContact CG-CD1 4.07Å
377S96.4Very high91.8Very high0 Ų026.1 Ų26.10%013%0.131CC..EExtended strand (participates in β ladder)trans-125.1140.3170-65.10000109.3A318 S319 W340 Y362 R363A318-S377 CarbonylContact C-O 3.59Å; A318-S377 VanDerWaalsContact CA-O 3.31Å; A318-S377 WeakPolarHBondContact CA-O 3.45Å; S319-S377 PolarHBondContact N-O 3.19Å; S319-S377 PolarHBondContact O-N 3.13Å; W340-S377 WeakPolarHBondContact CZ3-OG 3.46Å; Y362-S377 WeakPolarHBondContact OH-CB 3.5Å; Y362-S377 PolarHBondContact OH-OG 2.89Å; R363-S377 WeakPolarHBondContact O-CA 3.38Å
378Y97.2Very high90.9Very high0 Ų027.7 Ų27.70%013%0.134CC..EExtended strand (participates in β ladder)trans-155.1158.3178.562.7-78.5000113.2I317 Y362 R363 E365 Q376 L608 Y610I317-Y378 CarbonylContact O-C 3.57Å; I317-Y378 VanDerWaalsContact O-CA 3.25Å; I317-Y378 WeakPolarHBondContact O-CA 3.4Å; I317-Y378 WeakPolarHBondContact O-CB 3.4Å; Y362-Y378 WeakPolarHBondContact CA-O 3.37Å; R363-Y378 HydrophobicContact CB-CD1 4.34Å; R363-Y378 HydrophobicContact CB-CE1 3.87Å; R363-Y378 HydrophobicContact CB-CE2 4.17Å; R363-Y378 WeakPolarHBondContact CD-OH 2.84Å; R363-Y378 PolarHBondContact N-O 3.1Å; R363-Y378 PolarHBondContact O-N 3.34Å; E365-Y378 HydrophobicContact CG-CE1 3.81Å; Q376-Y378 HydrophobicContact CG-CD1 4.07Å; Y378-L608 WeakPolarHBondContact CE2-O 3.4Å; Y378-Y610 HydrophobicContact CD2-CD2 4.26Å; Y378-Y610 HydrophobicContact CE2-CD2 4.3Å; Y378-Y610 HydrophobicContact CG-CD2 4.45Å
379G96.7Very high89.8Confident0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-175.3179.8178.600000112.6I317 S542I317-G379 PolarHBondContact N-O 3.2Å; I317-G379 PolarHBondContact O-N 3.2Å; G379-S542 WeakPolarHBondContact CA-OG 3.29Å
380T96.3Very high87.9Confident0 Ų029.4 Ų29.40%014%0.144CC..EExtended strand (participates in β ladder)trans-106.9116-178.6-49.80000110.5F313 V359 L360 V382 S541 S542F313-T380 HydrophobicContact CD1-CG2 3.9Å; F313-T380 HydrophobicContact CE1-CG2 4.06Å; V359-T380 CarbonylContact C-O 3.58Å; V359-T380 WeakPolarHBondContact CA-O 3.39Å; L360-T380 PolarHBondContact N-O 2.53Å; L360-T380 PolarHBondContact O-N 2.59Å; T380-V382 HydrophobicContact CG2-CG1 4.31Å; T380-V382 PolarHBondContact O-N 2.95Å; T380-S541 WeakPolarHBondContact CG2-OG 3.45Å; T380-S541 WeakPolarHBondContact OG1-CA 3.49Å; T380-S541 PolarHBondContact OG1-OG 2.89Å; T380-S542 PolarHBondContact N-OG 3.07Å; T380-S542 PolarHBondContact OG1-N 3.42Å; T380-S542 PolarHBondContact OG1-OG 3.07Å
381A95.2Very high85.5Confident0 Ų031.4 Ų31.40%016%0.158CC..EExtended strand (participates in β ladder)trans-68.7128.3174.900000110.5G314 S315 I317 M351 C356G314-A381 WeakPolarHBondContact CA-O 3.48Å; G314-A381 PolarHBondContact N-O 3.49Å; S315-A381 VanDerWaalsContact O-CB 3.29Å; S315-A381 WeakPolarHBondContact O-CB 3.4Å; S315-A381 PolarHBondContact O-N 2.86Å; I317-A381 HydrophobicContact CD1-CB 3.62Å; I317-A381 HydrophobicContact CG1-CB 4.11Å; M351-A381 HydrophobicContact CG-CB 4.36Å; C356-A381 HydrophobicContact CB-CB 3.81Å
382V93.1Very high82.8Confident0 Ų034.1 Ų34.10%017%0.172CC..EExtended strand (participates in β ladder)trans-137.4146.4-179.9-68.60000111.1I310 F313 C356 D357 A358 L360 T380 I384I310-V382 HydrophobicContact CD1-CG1 4.07Å; I310-V382 HydrophobicContact CG1-CB 4.46Å; I310-V382 HydrophobicContact CG1-CG1 4.21Å; I310-V382 HydrophobicContact CG2-CB 4.29Å; I310-V382 HydrophobicContact CG2-CG1 4.15Å; F313-V382 HydrophobicContact CD1-CG1 3.87Å; F313-V382 HydrophobicContact CE1-CG1 4.17Å; C356-V382 WeakPolarHBondContact CB-O 3.47Å; D357-V382 PolarHBondContact N-O 2.87Å; A358-V382 HydrophobicContact CB-CG2 4.49Å; A358-V382 PolarHBondContact N-O 3.03Å; A358-V382 PolarHBondContact O-N 3.35Å; L360-V382 HydrophobicContact CB-CG1 4.47Å; L360-V382 HydrophobicContact CB-CG2 4.02Å; T380-V382 HydrophobicContact CG2-CG1 4.31Å; T380-V382 PolarHBondContact O-N 2.95Å; V382-I384 HydrophobicContact CG2-CG1 4.01Å
383Q91.3Very high79.7Confident50 Ų5038.6 Ų38.623%0.23420%0.204CC..EExtended strand (participates in β ladder)trans-84.5111163.6-16517115.800108.4L311 H312 D357L311-Q383 HydrophobicContact CB-CB 4.48Å; L311-Q383 HydrophobicContact CD1-CG 4.48Å; L311-Q383 PolarHBondContact N-O 3.47Å; H312-Q383 HydrophobicContact CB-CB 4.15Å; H312-Q383 PolarHBondContact CD2-OE1 3.42Å; H312-Q383 VanDerWaalsContact CD2-OE1 3.27Å; H312-Q383 PolarHBondContact O-N 3.34Å; D357-Q383 WeakPolarHBondContact OD2-CG 3.2Å
384I88.4Confident76.5Confident2 Ų249.3 Ų49.31%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-79.3139.5-180-71.8-173.8000110.4L292 L300 M309 A358 V382 P386 W388 I389L292-I384 HydrophobicContact CD2-CD1 4.49Å; L300-I384 HydrophobicContact CD1-CD1 3.63Å; M309-I384 WeakPolarHBondContact O-CA 3.45Å; A358-I384 HydrophobicContact CB-CD1 3.29Å; A358-I384 HydrophobicContact CB-CG1 3.77Å; V382-I384 HydrophobicContact CG2-CG1 4.01Å; I384-P386 WeakPolarHBondContact O-CD 3.44Å; I384-W388 HydrophobicContact CG2-CB 3.92Å; I384-I389 HydrophobicContact CB-CD1 4.45Å; I384-I389 HydrophobicContact CG2-CD1 4.17Å; I384-I389 HydrophobicContact CG2-CG1 4.08Å
385N86.3Confident73Confident31 Ų3158.4 Ų58.417%0.16629%0.285CS..  trans-62.8119.6172.4179-12.9000110.4G308 M309 L311 K387 W388G308-N385 WeakPolarHBondContact O-CB 3.29Å; G308-N385 PolarHBondContact O-ND2 2.93Å; M309-N385 PolarHBondContact O-N 3.29Å; L311-N385 HydrophobicContact CD1-CB 4.42Å; L311-N385 HydrophobicContact CD2-CB 3.85Å; L311-N385 HydrophobicContact CG-CB 3.82Å; N385-K387 PolarHBondContact O-N 3.06Å; N385-K387 WeakPolarHBondContact OD1-CG 3.36Å; N385-K387 PolarHBondContact OD1-N 2.84Å; N385-W388 PolarHBondContact O-N 3.01Å
386P81.9Confident69.6Low72 Ų7265.8 Ų65.847%0.46832%0.323SS..G310 helixtrans-54.1-19.3-173.9-30.535.8000115.7I384 W388 I389 N390I384-P386 WeakPolarHBondContact O-CD 3.44Å; P386-W388 PolarHBondContact O-N 3.3Å; P386-I389 PolarHBondContact O-N 3.23Å; P386-N390 PolarHBondContact O-N 2.99Å
387K81.4Confident66.1Low143 Ų14371.8 Ų71.862%0.62236%0.36SS*.G310 helixtrans-57.2-32171.5-66178.1-177.9178.80113.5N385 I389 N391N385-K387 PolarHBondContact O-N 3.06Å; N385-K387 WeakPolarHBondContact OD1-CG 3.36Å; N385-K387 PolarHBondContact OD1-N 2.84Å; K387-I389 VanDerWaalsContact C-N 3.31Å; K387-N391 VanDerWaalsContact O-CG 3.28Å; K387-N391 PolarHBondContact O-ND2 3.13Å
388W75.2Confident62.8Low62 Ų6278.8 Ų78.824%0.23540%0.397CS..G310 helixtrans-79.7-15.1177.4-67.488.3000113.2I158 L306 G308 M309 I384 N385 P386I158-W388 HydrophobicContact CD1-CZ3 4.37Å; L306-W388 HydrophobicContact CB-CH2 3.67Å; L306-W388 HydrophobicContact CB-CZ2 3.85Å; L306-W388 HydrophobicContact CB-CZ3 4.34Å; L306-W388 HydrophobicContact CD1-CE3 4.15Å; L306-W388 HydrophobicContact CD1-CH2 3.55Å; L306-W388 HydrophobicContact CD1-CZ2 4.41Å; L306-W388 HydrophobicContact CD1-CZ3 3.4Å; L306-W388 HydrophobicContact CG-CH2 4.25Å; G308-W388 PolarHBondContact O-NE1 2.86Å; M309-W388 HydrophobicContact CB-CD2 4.42Å; M309-W388 HydrophobicContact CB-CZ2 4.38Å; M309-W388 HydrophobicContact CG-CD2 4.26Å; M309-W388 HydrophobicContact CG-CG 4.2Å; I384-W388 HydrophobicContact CG2-CB 3.92Å; N385-W388 PolarHBondContact O-N 3.01Å; P386-W388 PolarHBondContact O-N 3.3Å
389I67.8Low59.3Low32 Ų3284.8 Ų84.816%0.16444%0.435CS..THydrogen-bonded Turntrans-96.6-44.7177.6-55.6172.3000110A291 L292 E293 I384 P386 K387A291-I389 HydrophobicContact CB-CG2 3.98Å; A291-I389 WeakPolarHBondContact CB-O 3.35Å; L292-I389 HydrophobicContact CB-CG1 4.48Å; L292-I389 HydrophobicContact CB-CG2 4.27Å; E293-I389 HydrophobicContact CG-CG2 4.19Å; I384-I389 HydrophobicContact CB-CD1 4.45Å; I384-I389 HydrophobicContact CG2-CD1 4.17Å; I384-I389 HydrophobicContact CG2-CG1 4.08Å; P386-I389 PolarHBondContact O-N 3.23Å; K387-I389 VanDerWaalsContact C-N 3.31Å
390N50.2Low56.2Low76 Ų7692.6 Ų92.641%0.40648%0.476SS..  trans-113.230.3-161.3-86.4-31.7000117P386 L392 S393P386-N390 PolarHBondContact O-N 2.99Å; N390-L392 PolarHBondContact O-N 2.84Å; N390-S393 PolarHBondContact O-OG 3.17Å; N390-S393 VanDerWaalsContact O-OG 3.04Å
391N35.7Very low52.9Low137 Ų13797.7 Ų97.773%0.73351%0.512SS*.THydrogen-bonded Turntrans-74.830.6177.3-99-9000115.5K387K387-N391 VanDerWaalsContact O-CG 3.28Å; K387-N391 PolarHBondContact O-ND2 3.13Å
392L31.6Very low49.7Very low96 Ų96106 Ų10650%0.50356%0.555SS.*THydrogen-bonded Turntrans-124.917.2175.1-126.3147.7000113.3I288 N390I288-L392 HydrophobicContact CG2-CD1 4.13Å; I288-L392 HydrophobicContact CG2-CD2 3.87Å; N390-L392 PolarHBondContact O-N 2.84Å
393S26.4Very low46.7Very low96 Ų96109.7 Ų109.767%0.67159%0.594SS**  trans-10249.7179.352.70000113.6N390N390-S393 PolarHBondContact O-OG 3.17Å; N390-S393 VanDerWaalsContact O-OG 3.04Å
394Y25.7Very low43.5Very low225 Ų225118.7 Ų118.788%0.88263%0.625SS**SBendtrans-127.4125.5164.7-101.4-93.4000111.1
395K22.8Very low40.6Very low196 Ų196126.8 Ų126.885%0.85267%0.667SS**  trans71.374.2-178.4-59.9-176.8175.4179.70117.6
396I25.9Very low37.8Very low157 Ų157129.6 Ų129.681%0.80569%0.689SS**  trans-126.985.6130.9-56-178.3000108.5N398I396-N398 PolarHBondContact O-N 3.33Å
397T22.3Very low35.2Very low133 Ų133132.4 Ų132.482%0.81671%0.705SS**  trans-80.396.7157.646.20000107.9
398N27.1Very low32.5Very low146 Ų146130.9 Ų130.978%0.78171%0.708SS**  trans-148.7107.5155.9-110.9-10.7000109.6I396I396-N398 PolarHBondContact O-N 3.33Å
399T24.9Very low30.3Very low127 Ų127135.6 Ų135.678%0.77974%0.737SS**  trans-65.4129.4168.846.90000109.7
400N29.6Very low28.4Very low164 Ų164137.1 Ų137.188%0.87775%0.754SS**  trans-155.8146.9141.4-104.1-21.4000111.8
401S28.2Very low27.4Very low106 Ų106141.4 Ų141.474%0.74177%0.769SS**  trans-84.2121.7-169.752.10000112.7
402L27.8Very low27Very low174 Ų174138.2 Ų138.291%0.91176%0.761SS**  trans-178.9108.7136-99.3159.3000108.9R404L402-R404 PolarHBondContact O-N 2.72Å
403G29.3Very low26.9Very low79 Ų79137.4 Ų137.481%0.81476%0.764SS**  trans-78.8109.5-177.400000112.6
404R24.5Very low27Very low238 Ų238139.6 Ų139.690%0.89876%0.761SS**  trans-174.1108.1153.5-108171.8-175.1175.62110.4L402L402-R404 PolarHBondContact O-N 2.72Å
405I28.4Very low27.2Very low173 Ų173136.7 Ų136.789%0.88775%0.753SS**  trans-128.2109.1154.4-63.2-177000107.7
406S26.1Very low27.7Very low89 Ų89133.4 Ų133.462%0.62274%0.743SS**  trans-94.9139.5173.350.40000110.6T408S406-T408 PolarHBondContact O-N 3.48Å; S406-T408 PolarHBondContact O-OG1 3.14Å
407V27.4Very low27.9Very low132 Ų132131.1 Ų131.180%0.874%0.74SS**  trans3086.9145.3-170.30000115.5
408T26.3Very low28Very low111 Ų111131.7 Ų131.768%0.68173%0.734SS**  trans-130.243.3170.7-45.40000112.5S406S406-T408 PolarHBondContact O-N 3.48Å; S406-T408 PolarHBondContact O-OG1 3.14Å
409L28.5Very low28Very low161 Ų161129.1 Ų129.184%0.84373%0.727SS**SBendtrans-110.6-8.5166.2-149.773.1000113.2K411L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 3.27Å
410A28.1Very low28Very low64 Ų64130.4 Ų130.453%0.52973%0.728SS.*THydrogen-bonded Turntrans-89.311.9-179.800000114.7
411K28.5Very low27.7Very low166 Ų166127.3 Ų127.372%0.72272%0.719SS**THydrogen-bonded Turntrans-115.6-8.6-179.3-81.4-177.8175176.70114.8L409L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 3.27Å
412A26.9Very low27.6Very low69 Ų69129.2 Ų129.257%0.5773%0.726SS**THydrogen-bonded Turntrans-78.8-46.5172.200000111.3K414 K415A412-K414 VanDerWaalsContact C-N 3.26Å; A412-K414 PolarHBondContact O-N 3.49Å; A412-K415 PolarHBondContact O-N 3.15Å
413S29.8Very low27.6Very low79 Ų79126.4 Ų126.455%0.55272%0.721SS**Hα-helixtrans-62-29.4178.954.80000113.9
414K29Very low27.4Very low142 Ų142129.5 Ų129.562%0.61772%0.719SS**Hα-helixtrans-77.8-21.2-179.7-117.1-177178.7-172.50115A412 E418A412-K414 VanDerWaalsContact C-N 3.26Å; A412-K414 PolarHBondContact O-N 3.49Å; K414-E418 WeakPolarHBondContact O-CG 3.22Å
415K29Very low27.5Very low164 Ų164127.6 Ų127.671%0.71371%0.713SS**Hα-helixtrans-84.8-15.3179-99.2-170.1171-169.60114.5A412A412-K415 PolarHBondContact O-N 3.15Å
416I33.8Very low27.5Very low127 Ų127128.2 Ų128.265%0.65171%0.71SS**Hα-helixtrans-85.4-26.9176.8-63.1174.3000110.8S419I416-S419 PolarHBondContact O-OG 2.88Å
417C29.6Very low27.4Very low110 Ų110128 Ų12874%0.74371%0.714SS**THydrogen-bonded Turntrans-85.6-5.5174.4-64.20000114.9
418E25.9Very low27.5Very low144 Ų144128.1 Ų128.167%0.67372%0.715SS**THydrogen-bonded Turntrans-103.42.7-179.3-74.1176.417900113.2K414K414-E418 WeakPolarHBondContact O-CG 3.22Å
419S26.9Very low27.5Very low93 Ų93129.6 Ų129.665%0.6572%0.717SS**SBendtrans-105.89.2-179.155.10000115.2I416I416-S419 PolarHBondContact O-OG 2.88Å
420I25.5Very low27.5Very low153 Ų153130 Ų13079%0.78572%0.72SS**  trans-128.580.2176.2-51.6179.5000110.1
421S23.3Very low27.3Very low100 Ų100136.7 Ų136.770%0.69973%0.732SS**  trans-159.192162.5630000112.1
422T25.2Very low27.3Very low145 Ų145135.5 Ų135.589%0.8974%0.742SS**  trans175.795.3136.337.70000111
423S27.8Very low27.2Very low115 Ų115138.1 Ų138.180%0.80475%0.752SS**  175.8101.4119.463.40000113
424N24.5Very low27.3Very low144 Ų144140.3 Ų140.377%0.7777%0.767SS**  trans12.4153.8143.6-55.4-14.3000122.7
425Y26.8Very low27.2Very low198 Ų198142.7 Ų142.778%0.77678%0.777SS**  trans89.9129.6172-65.3-76.6000115.2
426F29.9Very low27.2Very low186 Ų186144.6 Ų144.682%0.81679%0.785SS**  cis-130.8153.21.3-110-78.7000111.6
427A23.1Very low27Very low85 Ų85143.6 Ų143.670%0.70279%0.787SS**  trans-116.1125.5170.200000110.8
428T28.9Very low26.8Very low135 Ų135144.1 Ų144.183%0.82879%0.791SS**  trans-110.798156.2360000105.6
429I26.3Very low26.8Very low142 Ų142143.1 Ų143.173%0.72880%0.795SS**  48.898.692.9-55.4176.6000110.2
430D29.1Very low26.9Very low168 Ų168150.8 Ų150.890%0.89881%0.809SS**  trans-131.5150.3130.4-141.4-20.9000111.1
431R24.3Very low26.9Very low206 Ų206148.8 Ų148.878%0.77781%0.809SS**  trans-13493-150.8179.5-170.2-178.4171.71.5110.3
432C28.5Very low27.1Very low140 Ų140150.1 Ų150.195%0.94682%0.817SS**  trans-120.3101170-118.20000112
433T24.5Very low27.3Very low125 Ų125148.5 Ų148.577%0.76781%0.812SS**  trans-88.8124.4175.451.40000111.3
434S31.3Very low27.7Very low124 Ų124148.6 Ų148.687%0.86781%0.81SS**  trans-141.4166.1149.991.40000110.2
435K27.4Very low27.8Very low193 Ų193148.2 Ų148.284%0.83981%0.808SS**  trans-119.3152-149.3-71173.2175.4169.70114.1
436K28.8Very low27.8Very low203 Ų203147.4 Ų147.488%0.88381%0.808SS**  trans88.6155.3151.7-79.7-174.2174.1-174.10119.2
437P28.5Very low27.7Very low106 Ų106143.7 Ų143.769%0.68880%0.801SS**  trans-126.2170.8-148.843-28.7000115.4
438C27.1Very low27.9Very low121 Ų121145.1 Ų145.182%0.81881%0.806SS**  trans-148.6117.4152.6-79.80000106.3
439T24.7Very low27.9Very low123 Ų123142.2 Ų142.276%0.75580%0.796SS**  52.289.561.869.60000115.2
440R29.8Very low28Very low254 Ų254146.2 Ų146.296%0.95880%0.802SS**  trans-148.8127.1133.1-114.8174-173.4-179.21.4111.2
441S25.3Very low27.9Very low111 Ų111146.5 Ų146.578%0.77680%0.797SS**  trans-91.5156.2-178.144.50000111.7
442C27.8Very low27.9Very low129 Ų129140.7 Ų140.787%0.87279%0.788SS**  trans-163.2112.6134.4-98.30000111.3
443S29.2Very low27.6Very low111 Ų111141.4 Ų141.478%0.77678%0.782SS**  trans-155.5139.7160.6-59.10000106.7
444P35.1Very low27.7Very low117 Ų117143 Ų14376%0.7678%0.78SS**  -137.2129.1126.223.2-4.6000110.7
445D26.5Very low27.3Very low136 Ų136143.8 Ų143.873%0.72777%0.773SS**  71.9119.974.1-70.4-37.1000114.3
446F28.2Very low27.1Very low180 Ų180139.5 Ų139.579%0.78977%0.767SS**  -172.3122.299.1-115.5-103.8000112.5
447T26.9Very low26.9Very low109 Ų109134.6 Ų134.667%0.66976%0.759SS**  trans41.4142.6139.666.20000120.9
448S28.3Very low26.7Very low114 Ų114134.5 Ų134.580%0.79776%0.761SS**  cis-179.6171.420.3-114.50000108.4
449A28.2Very low26.7Very low75 Ų75137.7 Ų137.762%0.6276%0.764SS**  cis-165.3171-900000110.3
450R27.8Very low26.8Very low225 Ų225137.9 Ų137.985%0.84977%0.765SS**  trans66.2109.5154.1-72.9169.6-175.3-1781.7118.3
451H27.7Very low26.6Very low175 Ų175131.9 Ų131.981%0.8176%0.756SS**  77.8143.181.9-90.1-86.4000114.3
452S23.4Very low26.7Very low83 Ų83132.3 Ų132.358%0.5876%0.757SS**  cis-177.4134.9-37.747.10000109.7
453L22.3Very low26.7Very low155 Ų155132.4 Ų132.481%0.81275%0.753SS**  trans51.1117.6153.6-59.8165000121.1
454H26.5Very low26.7Very low160 Ų160133.1 Ų133.174%0.74176%0.755SS**  173.7122.2104.8-109.1-90.1000115.5
455I24.8Very low26.2Very low139 Ų139132.4 Ų132.471%0.71375%0.753SS**  trans40.8129.3131.9-60.6-174.3000123.2
456S22.5Very low26.4Very low103 Ų103131 Ų13172%0.7275%0.751SS**  trans106.2133.514062.40000124
457S24Very low26.3Very low100 Ų100128.1 Ų128.170%0.69975%0.748SS**  trans62.6107149.848.20000122.7
458S24.3Very low26.2Very low105 Ų105128 Ų12873%0.73475%0.752SS**  30.2131.3127.658.50000121.5
459E27.2Very low26Very low188 Ų188126.4 Ų126.488%0.87974%0.741SS**  -169.1-176.7105.3-106.5176.1-172.400113.8
460T26.2Very low25.9Very low127 Ų127132.3 Ų132.378%0.77975%0.749SS**  trans-68.8164.5-159.934.20000119.6
461T25.5Very low25.9Very low127 Ų127127.1 Ų127.178%0.77974%0.737SS**  trans-40.8163.316748.40000116.4
462P29.2Very low25.7Very low121 Ų121127.5 Ų127.579%0.78674%0.737SS**  cis-146.8-174.633.541-18.1000119.8
463V27.4Very low25.8Very low130 Ų130131.7 Ų131.779%0.78875%0.747SS**  trans-58.5143-176.8172.90000115
464P29.2Very low25.9Very low126 Ų126128.5 Ų128.582%0.81874%0.738SS**  -144.7146.2105.636.1-19.3000116.8
465S25.4Very low25.8Very low102 Ų102130.5 Ų130.571%0.71374%0.74SS**  trans-92.1160.8156.2550000109.3
466P30.5Very low25.8Very low108 Ų108134 Ų13470%0.70175%0.75SS**  -161178.980.841.1-18.7000118.8
467T24.8Very low25.9Very low119 Ų119136.7 Ų136.773%0.7375%0.752SS**  trans58.7118.4151.543.30000121.2
468S24.5Very low25.9Very low106 Ų106141.6 Ų141.674%0.74176%0.763SS**  82.1149.575.697.20000113.5
469S25.7Very low25.9Very low81 Ų81141.9 Ų141.957%0.56676%0.761SS**  cis-168.5174.714.437.10000113.1
470Y25.9Very low26Very low199 Ų199139.7 Ų139.778%0.7876%0.761SS**  trans77.9145.7161.1-60.5-61.6000120.1
471N27.2Very low26Very low115 Ų115138.6 Ų138.662%0.61576%0.756SS**  cis-148.5144.2-1.5-117.3-33.9000109.9
472K23.9Very low25.9Very low183 Ų183139 Ų13980%0.79675%0.753SS**  46.1136.5105.8-68-173.4177.1-178.90115.7
473E25Very low25.8Very low172 Ų172142.9 Ų142.980%0.80476%0.757SS**  cis-141.7152.437.5-70.6175.8158.600111.2
474S25.2Very low25.6Very low88 Ų88142.3 Ų142.362%0.61576%0.758SS**  68.4131.160.4119.10000113.5
475Y23.5Very low25.5Very low202 Ų202144 Ų14479%0.79276%0.759SS**  cis-158.6151.24.9-103.5-70.3000111
476K25.8Very low25.5Very low211 Ų211144.1 Ų144.192%0.91776%0.758SS**  -171.2132.2129.2-107.5-178-175.5-172.10114.1
477E23.1Very low25.3Very low161 Ų161148.2 Ų148.275%0.75277%0.767SS**  trans-87.7154.8173.8-63.6160.9116.800111
478E25.2Very low25.3Very low202 Ų202151.5 Ų151.594%0.94477%0.771SS**  trans-142.8130.7140.2-135.5168.8-138.300109.8
479T24.7Very low25.3Very low112 Ų112156.3 Ų156.369%0.68778%0.779SS**  trans-95.7139.9-171.4490000112
480T27.7Very low25.4Very low142 Ų142159 Ų15987%0.87179%0.786SS**  trans-166.1156130.3180000110.7
481P27.8Very low25.4Very low103 Ų103158.2 Ų158.267%0.66979%0.786SS**  trans-111.9176.5-15542.4-35.5000115.5
482D22.9Very low25.3Very low136 Ų136161.7 Ų161.773%0.72780%0.799SS**  trans58.6108.2152.5-64-30000120.2
483K27.1Very low25.3Very low202 Ų202159.1 Ų159.188%0.87879%0.793SS**  trans-148.673.7133.1-112.2164.1-166.8172.70111.8L485K483-L485 PolarHBondContact O-N 3.42Å
484C22.6Very low25.4Very low118 Ų118157.8 Ų157.880%0.79779%0.791SS**  trans-59.4114.3157.3-710000108.9
485L26.6Very low25.4Very low161 Ų161161.3 Ų161.384%0.84380%0.803SS**  trans-69.7128.9172.3-79.3164.2000109.5K483 H487K483-L485 PolarHBondContact O-N 3.42Å; L485-H487 PolarHBondContact O-N 2.85Å
486P26.6Very low25.4Very low106 Ų106157.3 Ų157.369%0.68880%0.795SS**  trans-77.5122.7-168.329-34.2000111.9K488P486-K488 PolarHBondContact O-N 3.43Å
487H24.9Very low25.4Very low193 Ų193152.4 Ų152.489%0.89479%0.787SS**SBendtrans-70.760.9169.3-136.4-76.5000110.9L485L485-H487 PolarHBondContact O-N 2.85Å
488K24.5Very low26.1Very low188 Ų188151.5 Ų151.582%0.81779%0.792SS**  trans-157.847.5-174.1-117.7177-173-178.40114.4P486P486-K488 PolarHBondContact O-N 3.43Å
489K25.8Very low27.1Very low208 Ų208150.3 Ų150.390%0.90478%0.784SS**  trans-136.452.3162.5-80.2-161.2174.8-172.70112.2
490I27.4Very low28.7Very low138 Ų138148 Ų14871%0.70877%0.771SS**SBendtrans-130.4133161.6-54.8176.8000104.1
491F25.7Very low30.8Very low181 Ų181146.1 Ų146.179%0.79476%0.756SS**SBendtrans72.760.2-168.3-50.2-76.2000116.6
492H24.7Very low33.6Very low189 Ų189142 Ų14288%0.87573%0.729SS**  trans-158.860.5150.8-114.3-63.4000112.5
493D24.7Very low36.7Very low128 Ų128139.4 Ų139.468%0.68471%0.712SS**  trans-152.759.1171.6-102.5-45.4000110.5N496D493-N496 PolarHBondContact OD1-ND2 3.34Å
494I27.3Very low39.7Very low145 Ų145130.1 Ų130.174%0.74467%0.672SS**SBendtrans-111.1-13.1177.3-66.2178.8000112.3
495N24.1Very low42.8Very low162 Ų162124.7 Ų124.787%0.86664%0.636SS**SBendtrans-119.843.8178.7-78.50.9000112.8
496N23.7Very low45.9Very low117 Ų117118.3 Ų118.363%0.62660%0.601SS**SBendtrans-108.2141.1160.7-91-46.4000107.8D493 V498D493-N496 PolarHBondContact OD1-ND2 3.34Å; N496-V498 PolarHBondContact O-N 3.12Å
497S26.8Very low48.7Very low108 Ų108115.4 Ų115.476%0.75558%0.58SS**  trans-53.5127.2177.954.50000109.5K499S497-K499 PolarHBondContact O-N 3.17Å
498V37.7Very low51Low142 Ų142107.9 Ų107.986%0.86155%0.548SS*.  trans-63.996.9-169-178.40000109.2N496N496-V498 PolarHBondContact O-N 3.12Å
499K46.8Very low52.8Low177 Ų177104.3 Ų104.377%0.7755%0.547SS*.  trans-61.6130.2171.5-72.4-176.1176.9179.70107.5S497 N501S497-K499 PolarHBondContact O-N 3.17Å; K499-N501 PolarHBondContact O-N 3.29Å
500P56.8Low54.1Low64 Ų6498.7 Ų98.742%0.41653%0.53SS..  trans-57.7136.5179.818.7-27.8000110C502 I529 V550P500-C502 VanDerWaalsContact C-N 3.26Å; P500-C502 PolarHBondContact O-N 3Å; P500-I529 HydrophobicContact CB-CD1 4.22Å; P500-I529 HydrophobicContact CG-CD1 4.09Å; P500-I529 HydrophobicContact CG-CG1 4.47Å; P500-I529 HydrophobicContact CG-CG2 3.86Å; P500-V550 HydrophobicContact CB-CG2 4.1Å
501N71.7Confident54.9Low103 Ų10396.5 Ų96.555%0.55153%0.527SS*.  trans-79.468.1-159.7-159.515.7000112.5K499 H503K499-N501 PolarHBondContact O-N 3.29Å; N501-H503 PolarHBondContact O-N 2.92Å; N501-H503 VanDerWaalsContact O-N 3.12Å
502C88.1Confident55.5Low16 Ų1695.9 Ų95.911%0.10853%0.532CS..G310 helixtrans-67.5-9.7-173.160.10000115.1P500 I504 C505 H506 I529 A632P500-C502 VanDerWaalsContact C-N 3.26Å; P500-C502 PolarHBondContact O-N 3Å; C502-I504 VanDerWaalsContact C-N 3.25Å; C502-I504 PolarHBondContact O-N 3.19Å; C502-C505 PolarHBondContact O-N 3.15Å; C502-H506 PolarHBondContact O-CD2 3.32Å; C502-H506 PolarHBondContact O-NE2 3.4Å; C502-H506 PolarHBondContact SG-NE2 3.46Å; C502-I529 HydrophobicContact CB-CB 3.95Å; C502-I529 HydrophobicContact CB-CD1 3.95Å; C502-I529 HydrophobicContact CB-CG2 4.02Å; C502-A632 HydrophobicContact CB-CB 3.96Å
503H87.2Confident56.2Low82 Ų8293 Ų9338%0.3853%0.528SS..G310 helixtrans-51.7-40.7-177.5-171.6-70.1000113.5L311 H312 N501 C505 H506L311-H503 PolarHBondContact O-CE1 2.89Å; L311-H503 PolarHBondContact O-ND1 3Å; H312-H503 AromaticContact CE1-CE1 3.15Å; H312-H503 PolarHBondContact CE1-CE1 3.47Å; H312-H503 AromaticContact CE1-ND1 3.42Å; H312-H503 PolarHBondContact CE1-ND1 2.86Å; H312-H503 AromaticContact CE1-NE2 3.82Å; H312-H503 AromaticContact ND1-CE1 3.98Å; H312-H503 AromaticContact ND1-ND1 3.91Å; H312-H503 PolarHBondContact ND1-O 3.09Å; H312-H503 AromaticContact NE2-CE1 3.14Å; H312-H503 PolarHBondContact NE2-CE1 3.44Å; H312-H503 AromaticContact NE2-ND1 3.82Å; H312-H503 AromaticContact NE2-NE2 3.85Å; N501-H503 PolarHBondContact O-N 2.92Å; N501-H503 VanDerWaalsContact O-N 3.12Å; H503-C505 PolarHBondContact O-N 2.97Å; H503-C505 VanDerWaalsContact O-N 3.13Å; H503-H506 WeakPolarHBondContact O-CB 3.42Å; H503-H506 PolarHBondContact O-N 3.3Å
504I89.6Confident57Low7 Ų791.6 Ų91.64%0.03652%0.52CS..G310 helixtrans-58.5-27.2-179-169167.1000113.4I310 L311 F313 C502 P546 E548 L549I310-I504 HydrophobicContact CB-CD1 3.96Å; I310-I504 HydrophobicContact CB-CG1 4.19Å; I310-I504 HydrophobicContact CG2-CD1 4.11Å; I310-I504 HydrophobicContact CG2-CG1 3.82Å; L311-I504 WeakPolarHBondContact O-CA 3.18Å; F313-I504 HydrophobicContact CD2-CD1 4.48Å; F313-I504 HydrophobicContact CD2-CG1 3.87Å; F313-I504 WeakPolarHBondContact CD2-O 3.4Å; F313-I504 HydrophobicContact CE2-CD1 3.89Å; F313-I504 HydrophobicContact CE2-CG1 3.78Å; F313-I504 PolarHBondContact N-O 3.45Å; F313-I504 VanDerWaalsContact N-O 3.09Å; C502-I504 VanDerWaalsContact C-N 3.25Å; C502-I504 PolarHBondContact O-N 3.19Å; I504-P546 HydrophobicContact CD1-CB 3.71Å; I504-P546 HydrophobicContact CD1-CG 3.72Å; I504-E548 HydrophobicContact CD1-CG 3.65Å; I504-L549 HydrophobicContact CG2-CD1 3.89Å
505C89Confident57.7Low4 Ų490.7 Ų90.73%0.02752%0.524CS..G310 helixtrans-93.9-9.2178.4-60.60000113.8C502 H503 V535 P536 L549 A632 L633C502-C505 PolarHBondContact O-N 3.15Å; H503-C505 PolarHBondContact O-N 2.97Å; H503-C505 VanDerWaalsContact O-N 3.13Å; C505-V535 HydrophobicContact CB-CG1 4.43Å; C505-V535 WeakPolarHBondContact O-CG1 3.05Å; C505-P536 WeakPolarHBondContact O-CD 3.42Å; C505-L549 WeakPolarHBondContact SG-CD1 3.36Å; C505-A632 HydrophobicContact CB-CB 3.79Å; C505-L633 HydrophobicContact CB-CD2 3.85Å
506H90.3Very high58.4Low26 Ų2689.6 Ų89.612%0.1252%0.518CS..SBendtrans-70.3145.4177.6-61.6175.1000110H312 C502 H503 C530 A533 N534H312-H506 WeakPolarHBondContact CB-O 3.29Å; H312-H506 PolarHBondContact ND1-O 3.22Å; C502-H506 PolarHBondContact O-CD2 3.32Å; C502-H506 PolarHBondContact O-NE2 3.4Å; C502-H506 PolarHBondContact SG-NE2 3.46Å; H503-H506 WeakPolarHBondContact O-CB 3.42Å; H503-H506 PolarHBondContact O-N 3.3Å; H506-C530 PolarHBondContact NE2-SG 3.38Å; H506-C530 VanDerWaalsContact NE2-SG 3.39Å; H506-A533 HydrophobicContact CB-CB 4.08Å; H506-A533 VanDerWaalsContact CE1-CB 3.49Å; H506-A533 WeakPolarHBondContact CE1-CB 3.43Å; H506-A533 VanDerWaalsContact CG-CB 3.44Å; H506-A533 VanDerWaalsContact ND1-CB 3.33Å; H506-A533 WeakPolarHBondContact ND1-CB 3.38Å; H506-N534 CarbonylContact C-O 3.52Å; H506-N534 WeakPolarHBondContact CA-O 3.36Å
507L86Confident59.1Low46 Ų4691.3 Ų91.324%0.24152%0.515CS..PPolyproline II helixtrans-72.3146.5168.4-62.8174.7000110.2S509 N534L507-S509 PolarHBondContact O-N 2.93Å; L507-N534 HydrophobicContact CD1-CB 4.15Å; L507-N534 PolarHBondContact N-O 3.42Å
508P72.9Confident59.6Low34 Ų3491.1 Ų91.122%0.22150%0.501CS..PPolyproline II helixtrans-54.7130.5175.4-25.634.6000111.6H312 T510H312-P508 HydrophobicContact CB-CG 4.1Å; P508-T510 PolarHBondContact O-N 2.89Å
509S63.1Low59.6Low114 Ų11490.8 Ų90.880%0.79750%0.5SS*.PPolyproline II helixtrans-74.1116.4178.1-69.90000110.7L507 S511L507-S509 PolarHBondContact O-N 2.93Å; S509-S511 PolarHBondContact O-N 2.82Å
510T52.8Low59Low89 Ų8987.2 Ų87.255%0.54650%0.497SS..  trans-69.192.917851.50000111.1P508 D512 F518P508-T510 PolarHBondContact O-N 2.89Å; T510-D512 PolarHBondContact O-N 2.81Å; T510-D512 VanDerWaalsContact O-N 3.17Å; T510-F518 HydrophobicContact CG2-CD2 3.39Å; T510-F518 HydrophobicContact CG2-CE2 3.37Å; T510-F518 HydrophobicContact CG2-CG 4.01Å; T510-F518 HydrophobicContact CG2-CZ 3.97Å
511S43.9Very low58.4Low93 Ų9387.1 Ų87.165%0.6550%0.496SS*.  trans-82.785.5176.8610000111.9S509 T513S509-S511 PolarHBondContact O-N 2.82Å; S511-T513 PolarHBondContact O-N 3.21Å; S511-T513 PolarHBondContact O-OG1 3.27Å
512D38Very low57.5Low168 Ų16886.2 Ų86.290%0.89849%0.494SS*.SBendtrans34.47.5150-62.3-21.9000122.9T510T510-D512 PolarHBondContact O-N 2.81Å; T510-D512 VanDerWaalsContact O-N 3.17Å
513T40.9Very low56.3Low128 Ų12889 Ų8979%0.78551%0.511SS*.SBendtrans-106.47-172.256.50000114.5S511S511-T513 PolarHBondContact O-N 3.21Å; S511-T513 PolarHBondContact O-OG1 3.27Å
514N41Very low55.8Low99 Ų9987.2 Ų87.253%0.52951%0.508SS..  trans-152.2102.7171.9-139.8-8.4000111.1N516 R517N514-N516 PolarHBondContact O-N 2.83Å; N514-N516 VanDerWaalsContact O-N 3.15Å; N514-R517 PolarHBondContact O-N 3.49Å
515P41.9Very low55.7Low125 Ų12588.1 Ų88.181%0.81252%0.515SS*.THydrogen-bonded Turntrans-71-6.6-175.529.2-35.6000114.2
516N39.1Very low55.7Low140 Ų14095.1 Ų95.175%0.74954%0.541SS*.THydrogen-bonded Turntrans-104.827179.6-6710.5000112.9N514N514-N516 PolarHBondContact O-N 2.83Å; N514-N516 VanDerWaalsContact O-N 3.15Å
517R37.3Very low55.8Low152 Ų15293.9 Ų93.957%0.57454%0.535SS*.SBendtrans-128.4137.7165.3-74.8-173.1174.3-175.4-4.6108.7N514N514-R517 PolarHBondContact O-N 3.49Å
518F38.5Very low56Low105 Ų10593.9 Ų93.946%0.46154%0.542SS..  trans75.470.9-169.7-63.5-89.2000116.2T510 S520 P521T510-F518 HydrophobicContact CG2-CD2 3.39Å; T510-F518 HydrophobicContact CG2-CE2 3.37Å; T510-F518 HydrophobicContact CG2-CG 4.01Å; T510-F518 HydrophobicContact CG2-CZ 3.97Å; F518-S520 VanDerWaalsContact C-N 3.29Å; F518-S520 PolarHBondContact O-N 2.88Å; F518-S520 VanDerWaalsContact O-N 3.12Å; F518-P521 HydrophobicContact CD1-CB 4.11Å; F518-P521 HydrophobicContact CD1-CG 4.27Å; F518-P521 HydrophobicContact CE1-CB 4.26Å
519T36.5Very low56.7Low135 Ų13595.1 Ų95.183%0.82855%0.546SS*.SBendtrans-66.491.8138.934.80000109.2
520S35.2Very low58Low101 Ų10192 Ų9271%0.70652%0.524SS*.SBendtrans42.6101.4168-162.80000117.4F518F518-S520 VanDerWaalsContact C-N 3.29Å; F518-S520 PolarHBondContact O-N 2.88Å; F518-S520 VanDerWaalsContact O-N 3.12Å
521P43.2Very low59.8Low62 Ų6294.8 Ų94.840%0.40353%0.528SS..  trans-68.3144.7176.330.3-33.6000112.2F518F518-P521 HydrophobicContact CD1-CB 4.11Å; F518-P521 HydrophobicContact CD1-CG 4.27Å; F518-P521 HydrophobicContact CE1-CB 4.26Å
522V54Low61.8Low84 Ų8493.9 Ų93.951%0.50953%0.526SS..SBendtrans5.6133.6138.1-175.80000115.3S524 F753V522-S524 WeakPolarHBondContact O-CB 3.38Å; V522-S524 PolarHBondContact O-N 2.92Å; V522-S524 PolarHBondContact O-OG 3.18Å; V522-F753 HydrophobicContact CG2-CD1 4.2Å; V522-F753 HydrophobicContact CG2-CE1 3.98Å
523T61.8Low64.2Low76 Ų7687 Ų8747%0.46649%0.493SS..  trans-47.3114.8177.969.50000110.5D537T523-D537 WeakPolarHBondContact CB-OD2 3.28Å; T523-D537 PolarHBondContact OG1-OD2 3.28Å
524S78Confident66.5Low43 Ų4383.7 Ų83.730%0.30147%0.47SS..EExtended strand (participates in β ladder)trans-132.2132-172.757.40000110V522 V535V522-S524 WeakPolarHBondContact O-CB 3.38Å; V522-S524 PolarHBondContact O-N 2.92Å; V522-S524 PolarHBondContact O-OG 3.18Å; S524-V535 WeakPolarHBondContact CA-O 3.48Å; S524-V535 WeakPolarHBondContact CB-O 3.29Å
525S86.4Confident68.9Low27 Ų2779 Ų7919%0.18945%0.445CS..EExtended strand (participates in β ladder)trans-113.3169.1-174.646.80000110.1N534 V535 D537 P634S525-N534 CarbonylContact O-C 3.59Å; S525-N534 VanDerWaalsContact O-CA 3.3Å; S525-N534 WeakPolarHBondContact O-CA 3.43Å; S525-V535 PolarHBondContact N-O 3.06Å; S525-V535 PolarHBondContact O-N 2.94Å; S525-D537 WeakPolarHBondContact CB-OD1 3.47Å; S525-D537 PolarHBondContact OG-OD1 3.27Å; S525-P634 VanDerWaalsContact OG-CD 3.27Å; S525-P634 WeakPolarHBondContact OG-CD 3.34Å; S525-P634 WeakPolarHBondContact OG-CG 3.41Å
526R90.3Very high71.2Confident150 Ų15073.7 Ų73.757%0.56641%0.411SS*.EExtended strand (participates in β ladder)trans-80.2133.2174.3-63.4-50.2-162.5154.812.8110A528 A532 N534R526-A528 PolarHBondContact O-N 3.03Å; R526-A532 PolarHBondContact NH1-O 3.1Å; R526-N534 VanDerWaalsContact CD-OD1 3.3Å; R526-N534 WeakPolarHBondContact CD-OD1 3.28Å; R526-N534 VanDerWaalsContact CZ-OD1 3.25Å; R526-N534 PolarHBondContact NE-OD1 3.39Å; R526-N534 PolarHBondContact NH1-OD1 2.95Å
527C92Very high73.5Confident0 Ų069.6 Ų69.60%039%0.389CS..  trans-48126.8177.7179.40000111.6I529 C530 K531 A533 V535 A632C527-I529 PolarHBondContact O-N 2.87Å; C527-I529 PolarHBondContact SG-N 3.03Å; C527-C530 VanDerWaalsContact CB-SG 3.51Å; C527-K531 WeakPolarHBondContact O-CA 3.4Å; C527-K531 PolarHBondContact O-N 3.21Å; C527-A533 PolarHBondContact N-O 2.95Å; C527-V535 HydrophobicContact CB-CG1 3.6Å; C527-A632 WeakPolarHBondContact CA-O 3.37Å; C527-A632 PolarHBondContact SG-O 3.09Å
528A88.6Confident76Confident47 Ų4764.5 Ų64.539%0.38837%0.373SS..THydrogen-bonded Turntrans-62.2-28.9-178.600000112.9R526 A632R526-A528 PolarHBondContact O-N 3.03Å; A528-A632 PolarHBondContact N-O 3.3Å
529I89.5Confident78.6Confident59 Ų5959.7 Ų59.730%0.30335%0.352SS..THydrogen-bonded Turntrans-81.6-58.7179.9-67.3169.2000111.9P500 C502 C527 G631 A632P500-I529 HydrophobicContact CB-CD1 4.22Å; P500-I529 HydrophobicContact CG-CD1 4.09Å; P500-I529 HydrophobicContact CG-CG1 4.47Å; P500-I529 HydrophobicContact CG-CG2 3.86Å; C502-I529 HydrophobicContact CB-CB 3.95Å; C502-I529 HydrophobicContact CB-CD1 3.95Å; C502-I529 HydrophobicContact CB-CG2 4.02Å; C527-I529 PolarHBondContact O-N 2.87Å; C527-I529 PolarHBondContact SG-N 3.03Å; I529-G631 WeakPolarHBondContact CG1-O 3.43Å; I529-A632 HydrophobicContact CD1-CB 3.92Å
530C90.3Very high81.4Confident50 Ų5053.9 Ų53.934%0.33832%0.315SS..THydrogen-bonded Turntrans-92.7-18.2-172.978.20000114.4H506 C527 A532H506-C530 PolarHBondContact NE2-SG 3.38Å; H506-C530 VanDerWaalsContact NE2-SG 3.39Å; C527-C530 VanDerWaalsContact CB-SG 3.51Å; C530-A532 PolarHBondContact O-N 2.95Å
531K89Confident84.3Confident147 Ų14749.1 Ų49.164%0.63928%0.281SS*.SBendtrans564.4-175.9-54.7-171.9179.8-172.20116.2C527C527-K531 WeakPolarHBondContact O-CA 3.4Å; C527-K531 PolarHBondContact O-N 3.21Å
532A86.9Confident86.8Confident74 Ų7446.3 Ų46.361%0.61226%0.263SS*.SBendtrans-111.2-33.4-171.200000114.6R526 C530R526-A532 PolarHBondContact NH1-O 3.1Å; C530-A532 PolarHBondContact O-N 2.95Å
533A87.4Confident88.7Confident23 Ų2342.3 Ų42.319%0.1924%0.239CC..SBendtrans-96.5156.4177.300000111.6H506 C527H506-A533 HydrophobicContact CB-CB 4.08Å; H506-A533 VanDerWaalsContact CE1-CB 3.49Å; H506-A533 WeakPolarHBondContact CE1-CB 3.43Å; H506-A533 VanDerWaalsContact CG-CB 3.44Å; H506-A533 VanDerWaalsContact ND1-CB 3.33Å; H506-A533 WeakPolarHBondContact ND1-CB 3.38Å; C527-A533 PolarHBondContact N-O 2.95Å
534N89.6Confident90.1Very high58 Ų5839.4 Ų39.431%0.3122%0.221SC..EExtended strand (participates in β ladder)trans-81.3143.7170.2-71.13.7000110.3H506 L507 S525 R526H506-N534 CarbonylContact C-O 3.52Å; H506-N534 WeakPolarHBondContact CA-O 3.36Å; L507-N534 HydrophobicContact CD1-CB 4.15Å; L507-N534 PolarHBondContact N-O 3.42Å; S525-N534 CarbonylContact O-C 3.59Å; S525-N534 VanDerWaalsContact O-CA 3.3Å; S525-N534 WeakPolarHBondContact O-CA 3.43Å; R526-N534 VanDerWaalsContact CD-OD1 3.3Å; R526-N534 WeakPolarHBondContact CD-OD1 3.28Å; R526-N534 VanDerWaalsContact CZ-OD1 3.25Å; R526-N534 PolarHBondContact NE-OD1 3.39Å; R526-N534 PolarHBondContact NH1-OD1 2.95Å
535V91.1Very high90.6Very high0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-130.9154.9174.1-60.20000108.3C505 S524 S525 C527 L633C505-V535 HydrophobicContact CB-CG1 4.43Å; C505-V535 WeakPolarHBondContact O-CG1 3.05Å; S524-V535 WeakPolarHBondContact CA-O 3.48Å; S524-V535 WeakPolarHBondContact CB-O 3.29Å; S525-V535 PolarHBondContact N-O 3.06Å; S525-V535 PolarHBondContact O-N 2.94Å; C527-V535 HydrophobicContact CB-CG1 3.6Å; V535-L633 HydrophobicContact CB-CD2 3.73Å; V535-L633 HydrophobicContact CG1-CD2 4.38Å; V535-L633 HydrophobicContact CG2-CD2 4.05Å
536P89.8Confident90.7Very high14 Ų1436.6 Ų36.69%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-67.8153169.131.1-35.1000110.2C505 L538 L633C505-P536 WeakPolarHBondContact O-CD 3.42Å; P536-L538 VanDerWaalsContact C-N 3.25Å; P536-L538 PolarHBondContact O-N 3.05Å; P536-L633 HydrophobicContact CG-CD2 4.23Å; P536-L633 WeakPolarHBondContact O-CD2 3.34Å
537D88Confident90.3Very high54 Ų5433.3 Ų33.329%0.28920%0.198SC..SBendtrans-72.5-22.9175.6-63.6-30.1000113T523 S525 P634T523-D537 WeakPolarHBondContact CB-OD2 3.28Å; T523-D537 PolarHBondContact OG1-OD2 3.28Å; S525-D537 WeakPolarHBondContact CB-OD1 3.47Å; S525-D537 PolarHBondContact OG-OD1 3.27Å; D537-P634 HydrophobicContact CB-CG 4.3Å
538L91Very high89.9Confident45 Ų4535 Ų3524%0.23621%0.206CC..SBendtrans-146.8136.4-176.7-165.176.7000109.5P536 F540 M594 L597 N603P536-L538 VanDerWaalsContact C-N 3.25Å; P536-L538 PolarHBondContact O-N 3.05Å; L538-F540 HydrophobicContact CD1-CE1 4.38Å; L538-F540 HydrophobicContact CD2-CD1 4.01Å; L538-F540 HydrophobicContact CD2-CE1 3.25Å; L538-F540 HydrophobicContact CD2-CZ 3.6Å; L538-F540 HydrophobicContact CG-CD1 4.13Å; L538-F540 HydrophobicContact CG-CE1 3.72Å; L538-M594 HydrophobicContact CD2-CB 4.03Å; L538-M594 HydrophobicContact CD2-CG 3.75Å; L538-L597 HydrophobicContact CD1-CB 4.45Å; L538-L597 HydrophobicContact CD1-CD1 4.24Å; L538-N603 WeakPolarHBondContact CA-O 3.48Å
539L92.8Very high89.9Confident4 Ų433.4 Ų33.42%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-116.3116.4176.4179.262.4000111.3F313 N603 G604 L605 F606 I630 L633F313-L539 HydrophobicContact CB-CD1 3.77Å; F313-L539 HydrophobicContact CB-CD2 4.33Å; F313-L539 HydrophobicContact CD1-CD1 4.19Å; F313-L539 HydrophobicContact CD1-CD2 4.36Å; F313-L539 HydrophobicContact CD2-CD2 3.75Å; F313-L539 HydrophobicContact CE2-CD2 4.06Å; F313-L539 HydrophobicContact CG-CD1 3.98Å; F313-L539 HydrophobicContact CG-CD2 3.91Å; F313-L539 HydrophobicContact CZ-CD2 4.5Å; L539-N603 PolarHBondContact N-O 2.91Å; L539-G604 CarbonylContact O-C 3.41Å; L539-G604 WeakPolarHBondContact O-CA 3.43Å; L539-L605 PolarHBondContact O-N 3.05Å; L539-F606 HydrophobicContact CD2-CZ 3.87Å; L539-I630 HydrophobicContact CB-CD1 4.16Å; L539-I630 HydrophobicContact CD2-CD1 3.92Å; L539-L633 HydrophobicContact CB-CD1 3.9Å
540F95.3Very high89.7Confident14 Ų1433.6 Ų33.66%0.06119%0.194CC..EExtended strand (participates in β ladder)trans-102.9134.9168.4-72.64.4000110.1L316 L538 H590 L593 L597 L605 L608L316-F540 HydrophobicContact CB-CB 4Å; L316-F540 HydrophobicContact CD2-CB 4.32Å; L316-F540 PolarHBondContact N-O 3.46Å; L538-F540 HydrophobicContact CD1-CE1 4.38Å; L538-F540 HydrophobicContact CD2-CD1 4.01Å; L538-F540 HydrophobicContact CD2-CE1 3.25Å; L538-F540 HydrophobicContact CD2-CZ 3.6Å; L538-F540 HydrophobicContact CG-CD1 4.13Å; L538-F540 HydrophobicContact CG-CE1 3.72Å; F540-H590 AromaticContact CD2-CE1 3.94Å; F540-H590 AromaticContact CD2-ND1 3.91Å; F540-H590 AromaticContact CE2-CE1 3.56Å; F540-H590 AromaticContact CE2-ND1 3.48Å; F540-H590 WeakPolarHBondContact CE2-ND1 3.5Å; F540-L593 HydrophobicContact CE2-CB 4.03Å; F540-L593 HydrophobicContact CE2-CD1 4.03Å; F540-L593 HydrophobicContact CZ-CB 3.74Å; F540-L593 HydrophobicContact CZ-CD1 4.47Å; F540-L597 HydrophobicContact CD1-CD1 4.35Å; F540-L597 HydrophobicContact CE1-CD1 3.42Å; F540-L597 VanDerWaalsContact CE1-CD1 3.42Å; F540-L597 HydrophobicContact CZ-CD1 4.08Å; F540-L605 HydrophobicContact CD1-CB 3.69Å; F540-L605 HydrophobicContact CD1-CD2 3.94Å; F540-L605 HydrophobicContact CD1-CG 4.45Å; F540-L605 HydrophobicContact CE1-CB 4.06Å; F540-L605 HydrophobicContact CE1-CD2 3.9Å; F540-L605 HydrophobicContact CE2-CD2 4.5Å; F540-L605 HydrophobicContact CG-CB 4.46Å; F540-L605 HydrophobicContact CG-CD2 4.27Å; F540-L605 HydrophobicContact CZ-CD2 4.2Å; F540-L608 HydrophobicContact CB-CD2 4.48Å; F540-L608 HydrophobicContact CD2-CD2 4.34Å
541S95.4Very high89.5Confident0 Ų031.8 Ų31.80%018%0.182CC..  trans-142.8138.3178.8-176.10000111.4T380 S543 L605 F606 G607 L608T380-S541 WeakPolarHBondContact CG2-OG 3.45Å; T380-S541 WeakPolarHBondContact OG1-CA 3.49Å; T380-S541 PolarHBondContact OG1-OG 2.89Å; S541-S543 VanDerWaalsContact C-N 3.29Å; S541-S543 WeakPolarHBondContact OG-CB 3.37Å; S541-S543 PolarHBondContact OG-N 2.99Å; S541-S543 PolarHBondContact OG-OG 3.03Å; S541-L605 PolarHBondContact N-O 3.12Å; S541-F606 CarbonylContact O-C 3.49Å; S541-F606 WeakPolarHBondContact O-CA 3.45Å; S541-G607 PolarHBondContact O-N 3.1Å; S541-L608 VanDerWaalsContact O-CB 3.32Å; S541-L608 WeakPolarHBondContact O-CB 3.41Å; S541-L608 PolarHBondContact O-N 3.21Å; S541-L608 VanDerWaalsContact O-N 3.14Å
542S95.7Very high89.5Confident3 Ų327.6 Ų27.62%0.02117%0.165CC..SBendtrans-78.5-12.9164.860.70000112.8A361 G379 T380A361-S542 WeakPolarHBondContact CB-OG 3.37Å; A361-S542 PolarHBondContact O-OG 3.09Å; G379-S542 WeakPolarHBondContact CA-OG 3.29Å; T380-S542 PolarHBondContact N-OG 3.07Å; T380-S542 PolarHBondContact OG1-N 3.42Å; T380-S542 PolarHBondContact OG1-OG 3.07Å
543S94Very high89.5Confident0 Ų024.6 Ų24.60%014%0.142CC..SBendtrans-79.3161.4179.7850000113.1S303 A361 S541 F606 G607S303-S543 WeakPolarHBondContact O-CB 3.47Å; A361-S543 VanDerWaalsContact CB-CA 3.4Å; S541-S543 VanDerWaalsContact C-N 3.29Å; S541-S543 WeakPolarHBondContact OG-CB 3.37Å; S541-S543 PolarHBondContact OG-N 2.99Å; S541-S543 PolarHBondContact OG-OG 3.03Å; S543-F606 WeakPolarHBondContact O-CB 3.27Å; S543-F606 WeakPolarHBondContact O-CD1 2.87Å; S543-G607 PolarHBondContact O-N 3.26Å
544D91.9Very high89.5Confident15 Ų1524.6 Ų24.68%0.0814%0.139CC..PPolyproline II helixtrans-68.6173.5160.5-9642.3000110.6S303 Q304 P305 T782 E783 S784S303-D544 PolarHBondContact O-N 3.05Å; Q304-D544 HydrophobicContact CB-CB 4.31Å; Q304-D544 HydrophobicContact CG-CB 4.48Å; P305-D544 VanDerWaalsContact CD-O 3.29Å; P305-D544 WeakPolarHBondContact CD-O 3.5Å; D544-T782 WeakPolarHBondContact OD1-CA 3.08Å; D544-T782 VanDerWaalsContact OD1-CB 3.27Å; D544-T782 WeakPolarHBondContact OD1-CB 3.5Å; D544-T782 WeakPolarHBondContact OD1-CG2 3.33Å; D544-T782 WeakPolarHBondContact OD2-CB 3.26Å; D544-E783 PolarHBondContact OD2-N 2.68Å; D544-S784 WeakPolarHBondContact OD2-CB 3.49Å; D544-S784 PolarHBondContact OD2-N 3.29Å; D544-S784 PolarHBondContact OD2-OG 2.97Å
545F88.8Confident89.6Confident9 Ų922 Ų224%0.03913%0.125CC..PPolyproline II helixtrans-70.9131.4-177.6-48-73.5000112I551 F606 T626 V628 T782 P786F545-I551 HydrophobicContact CB-CD1 3.97Å; F545-I551 HydrophobicContact CD1-CD1 3.31Å; F545-I551 HydrophobicContact CE1-CD1 3.94Å; F545-I551 HydrophobicContact CG-CD1 3.76Å; F545-F606 HydrophobicContact CD1-CB 3.8Å; F545-F606 HydrophobicContact CD1-CD1 4.09Å; F545-F606 AromaticContact CD1-CD2 3.61Å; F545-F606 HydrophobicContact CD1-CD2 3.61Å; F545-F606 HydrophobicContact CD1-CE2 4.2Å; F545-F606 AromaticContact CD1-CG 3.55Å; F545-F606 HydrophobicContact CD1-CG 3.55Å; F545-F606 HydrophobicContact CE1-CB 3.49Å; F545-F606 VanDerWaalsContact CE1-CB 3.49Å; F545-F606 AromaticContact CE1-CD2 3.55Å; F545-F606 HydrophobicContact CE1-CD2 3.55Å; F545-F606 HydrophobicContact CE1-CE2 4.44Å; F545-F606 AromaticContact CE1-CG 3.63Å; F545-F606 HydrophobicContact CE1-CG 3.63Å; F545-F606 HydrophobicContact CZ-CB 4.12Å; F545-T626 HydrophobicContact CZ-CG2 3.83Å; F545-V628 HydrophobicContact CE1-CG1 3.6Å; F545-V628 HydrophobicContact CE1-CG2 4.12Å; F545-V628 HydrophobicContact CZ-CG1 3.96Å; F545-T782 HydrophobicContact CD2-CG2 4.3Å; F545-T782 HydrophobicContact CE2-CG2 3.72Å; F545-T782 WeakPolarHBondContact CE2-OG1 3.47Å; F545-T782 HydrophobicContact CZ-CG2 4.04Å; F545-P786 HydrophobicContact CD2-CB 4.22Å; F545-P786 HydrophobicContact CE2-CB 4.33Å; F545-P786 HydrophobicContact CE2-CG 4.15Å; F545-P786 HydrophobicContact CG-CB 4.41Å; F545-P786 HydrophobicContact CZ-CG 4.31Å
546P88.2Confident89.7Confident3 Ų322 Ų222%0.01913%0.125CC..PPolyproline II helixtrans-64.7138.8167.2-10.822.1000110.7P305 I310 F313 I504 E548 L549P305-P546 HydrophobicContact CB-CB 4.01Å; P305-P546 HydrophobicContact CB-CG 4.26Å; P305-P546 HydrophobicContact CG-CB 4.08Å; P305-P546 HydrophobicContact CG-CG 3.88Å; I310-P546 HydrophobicContact CD1-CG 4.25Å; F313-P546 HydrophobicContact CE2-CG 3.8Å; F313-P546 HydrophobicContact CZ-CG 3.59Å; I504-P546 HydrophobicContact CD1-CB 3.71Å; I504-P546 HydrophobicContact CD1-CG 3.72Å; P546-E548 HydrophobicContact CB-CG 4.18Å; P546-E548 PolarHBondContact O-N 2.91Å; P546-L549 HydrophobicContact CB-CB 4.08Å; P546-L549 HydrophobicContact CG-CB 3.99Å; P546-L549 HydrophobicContact CG-CD2 4.32Å; P546-L549 WeakPolarHBondContact O-CB 3.49Å; P546-L549 PolarHBondContact O-N 3.06Å
547P81.4Confident89.8Confident80 Ų8022.2 Ų22.252%0.51913%0.125SC..THydrogen-bonded Turntrans-66.2-23179.423.7-30000113.5P305 P307P305-P547 WeakPolarHBondContact O-CD 3.31Å; P307-P547 HydrophobicContact CB-CG 4.25Å; P307-P547 HydrophobicContact CG-CG 3.82Å
548E83.7Confident90.2Very high36 Ų3619.8 Ų19.817%0.16811%0.113CC..THydrogen-bonded Turntrans-80-8.9172.358.2-96-137.600114.9G308 I504 P546 V550G308-E548 WeakPolarHBondContact CA-OE1 3.38Å; G308-E548 PolarHBondContact N-OE1 2.8Å; I504-E548 HydrophobicContact CD1-CG 3.65Å; P546-E548 HydrophobicContact CB-CG 4.18Å; P546-E548 PolarHBondContact O-N 2.91Å; E548-V550 PolarHBondContact O-N 3.02Å
549L87.8Confident90.3Very high13 Ų1318.1 Ų18.17%0.06810%0.104CC..  trans-82.1118.6-175.8-17466.8000111.5I504 C505 P546 I551 F606 I630I504-L549 HydrophobicContact CG2-CD1 3.89Å; C505-L549 WeakPolarHBondContact SG-CD1 3.36Å; P546-L549 HydrophobicContact CB-CB 4.08Å; P546-L549 HydrophobicContact CG-CB 3.99Å; P546-L549 HydrophobicContact CG-CD2 4.32Å; P546-L549 WeakPolarHBondContact O-CB 3.49Å; P546-L549 PolarHBondContact O-N 3.06Å; L549-I551 HydrophobicContact CD2-CD1 4.21Å; L549-I551 HydrophobicContact CD2-CG1 4.22Å; L549-I551 HydrophobicContact CG-CG1 4.21Å; L549-I551 PolarHBondContact O-N 2.69Å; L549-I551 VanDerWaalsContact O-N 3.11Å; L549-F606 HydrophobicContact CD2-CE1 4.11Å; L549-F606 HydrophobicContact CD2-CE2 3.87Å; L549-F606 HydrophobicContact CD2-CZ 3.34Å; L549-I630 HydrophobicContact CD1-CG2 3.87Å; L549-I630 HydrophobicContact CD2-CD1 4.39Å; L549-I630 HydrophobicContact CD2-CG1 4.31Å
550V85Confident90.4Very high63 Ų6318 Ų1838%0.38210%0.103SC..  trans-77.2100.9178.7-176.20000110.7P500 E548 G631P500-V550 HydrophobicContact CB-CG2 4.1Å; E548-V550 PolarHBondContact O-N 3.02Å; V550-G631 PolarHBondContact O-N 3.44Å
551I87.8Confident90.3Very high13 Ų1317.5 Ų17.57%0.06710%0.101CC..EExtended strand (participates in β ladder)trans-100136.9175.2-66.7165.5000109.7F545 L549 V628 Y629 P786F545-I551 HydrophobicContact CB-CD1 3.97Å; F545-I551 HydrophobicContact CD1-CD1 3.31Å; F545-I551 HydrophobicContact CE1-CD1 3.94Å; F545-I551 HydrophobicContact CG-CD1 3.76Å; L549-I551 HydrophobicContact CD2-CD1 4.21Å; L549-I551 HydrophobicContact CD2-CG1 4.22Å; L549-I551 HydrophobicContact CG-CG1 4.21Å; L549-I551 PolarHBondContact O-N 2.69Å; L549-I551 VanDerWaalsContact O-N 3.11Å; I551-V628 HydrophobicContact CD1-CG2 4.44Å; I551-V628 HydrophobicContact CG1-CG2 4.44Å; I551-V628 HydrophobicContact CG2-CB 3.86Å; I551-V628 HydrophobicContact CG2-CG1 3.95Å; I551-Y629 WeakPolarHBondContact CA-O 3.3Å; I551-P786 HydrophobicContact CB-CB 4.15Å; I551-P786 HydrophobicContact CD1-CB 3.65Å; I551-P786 HydrophobicContact CG2-CB 3.89Å; I551-P786 HydrophobicContact CG2-CG 4.38Å
552I88.1Confident90.2Very high58 Ų5817.6 Ų17.630%0.29710%0.101SC..EExtended strand (participates in β ladder)trans-115.5135.1-179.8-54.4175.2000108.9Y629 P678I552-Y629 HydrophobicContact CB-CD1 4.05Å; I552-Y629 HydrophobicContact CD1-CD1 4.07Å; I552-Y629 HydrophobicContact CD1-CE1 4.16Å; I552-Y629 HydrophobicContact CG1-CD1 4.39Å; I552-Y629 PolarHBondContact N-O 3.32Å; I552-P678 HydrophobicContact CG2-CG 4.01Å
553G86.9Confident90.1Very high12 Ų1217.4 Ų17.412%0.12410%0.1CC..EExtended strand (participates in β ladder)trans84.7-172.717700000114.9Y675G553-Y675 CarbonylContact C-O 3.53Å; G553-Y675 WeakPolarHBondContact CA-O 3.38Å
554N88.3Confident90Very high22 Ų2218.4 Ų18.412%0.11810%0.104CC..EExtended strand (participates in β ladder)trans-88.8142.3177.6-55.7-39.6000110.5M602 L674 Y675 F808N554-M602 WeakPolarHBondContact O-CE 3.49Å; N554-L674 PolarHBondContact ND2-O 3Å; N554-L674 VanDerWaalsContact ND2-O 3.11Å; N554-Y675 PolarHBondContact N-O 2.87Å; N554-F808 WeakPolarHBondContact OD1-CD1 3.5Å
555P91.5Very high89.9Confident5 Ų520.7 Ų20.73%0.03212%0.121CC..EExtended strand (participates in β ladder)trans-66.1150.7174.224.5-31.1000113T626 G627 V628 Q773 I778 T780 P786P555-T626 HydrophobicContact CB-CG2 3.44Å; P555-T626 VanDerWaalsContact CB-CG2 3.44Å; P555-G627 WeakPolarHBondContact CA-O 3.48Å; P555-V628 HydrophobicContact CB-CG1 4.19Å; P555-Q773 PolarHBondContact O-NE2 3.27Å; P555-I778 HydrophobicContact CG-CG2 3.84Å; P555-T780 HydrophobicContact CB-CG2 4.36Å; P555-T780 HydrophobicContact CG-CG2 4.02Å; P555-P786 HydrophobicContact CB-CG 4.32Å; P555-P786 HydrophobicContact CG-CG 3.95Å
556A91.5Very high90Very high0 Ų020.8 Ų20.80%012%0.121CC..EExtended strand (participates in β ladder)trans-118.8137.417400000111.1V558 M602 T626 G627 Y675A556-V558 PolarHBondContact O-N 3.35Å; A556-M602 HydrophobicContact CB-CE 3.68Å; A556-M602 HydrophobicContact CB-SD 3.71Å; A556-T626 CarbonylContact O-C 3.47Å; A556-T626 WeakPolarHBondContact O-CA 3.42Å; A556-G627 PolarHBondContact N-O 3.08Å; A556-G627 PolarHBondContact O-N 2.89Å; A556-Y675 HydrophobicContact CB-CD1 3.87Å; A556-Y675 HydrophobicContact CB-CE1 3.32Å; A556-Y675 HydrophobicContact CB-CE2 4.26Å
557L93.6Very high90Very high17 Ų1727.3 Ų27.39%0.08915%0.149CC..EExtended strand (participates in β ladder)trans-67.9121.6161.9179.466.5000109.6L779 T781 L1027 Y1029L557-L779 HydrophobicContact CB-CB 3.72Å; L557-L779 HydrophobicContact CB-CD1 4.08Å; L557-L779 HydrophobicContact CD2-CB 4.45Å; L557-L779 HydrophobicContact CD2-CD1 4.08Å; L557-T781 HydrophobicContact CD1-CG2 3.97Å; L557-L1027 HydrophobicContact CD1-CD2 4.08Å; L557-L1027 HydrophobicContact CD2-CD2 3.64Å; L557-L1027 HydrophobicContact CG-CD2 4.47Å; L557-Y1029 HydrophobicContact CD2-CE2 4.23Å; L557-Y1029 WeakPolarHBondContact CD2-OH 3.43Å
558V94.8Very high90.3Very high4 Ų427.3 Ų27.32%0.02415%0.145CC..EExtended strand (participates in β ladder)trans-113.2127172.9-179.40000108.5A556 L593 K596 L597 L605 T624 G625A556-V558 PolarHBondContact O-N 3.35Å; V558-L593 HydrophobicContact CG1-CD2 4.05Å; V558-K596 HydrophobicContact CG1-CB 3.95Å; V558-L597 HydrophobicContact CG1-CG 4.33Å; V558-L597 HydrophobicContact CG2-CD2 3.93Å; V558-L597 HydrophobicContact CG2-CG 4.4Å; V558-L605 HydrophobicContact CB-CD1 3.9Å; V558-L605 HydrophobicContact CG1-CD1 4.41Å; V558-L605 HydrophobicContact CG2-CD1 4.37Å; V558-T624 WeakPolarHBondContact O-CA 3.39Å; V558-G625 PolarHBondContact N-O 2.98Å; V558-G625 PolarHBondContact O-N 2.84Å
559Q94.1Very high90.5Very high10 Ų1026.8 Ų26.85%0.04714%0.144CC..EExtended strand (participates in β ladder)trans-134.2114.4-173.4178.8179.14.600110.1K596 I622 A623 T624 N1009Q559-K596 WeakPolarHBondContact O-CD 3.36Å; Q559-K596 PolarHBondContact O-NZ 2.92Å; Q559-I622 HydrophobicContact CG-CD1 4.1Å; Q559-I622 HydrophobicContact CG-CG1 4.16Å; Q559-A623 CarbonylContact C-O 3.58Å; Q559-A623 WeakPolarHBondContact CA-O 3.46Å; Q559-T624 HydrophobicContact CB-CG2 4.06Å; Q559-T624 HydrophobicContact CG-CG2 3.73Å; Q559-N1009 PolarHBondContact OE1-ND2 2.95Å
560A93.9Very high90.5Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-93.9155.5164.800000110.4L589 R592 L593 I622 A623A560-L589 HydrophobicContact CB-CD2 3.93Å; A560-L589 WeakPolarHBondContact CB-O 3.41Å; A560-R592 HydrophobicContact CB-CB 3.78Å; A560-L593 HydrophobicContact CB-CD2 3.62Å; A560-L593 HydrophobicContact CB-CG 3.62Å; A560-I622 WeakPolarHBondContact O-CA 3.42Å; A560-I622 WeakPolarHBondContact O-CG1 3.4Å; A560-A623 HydrophobicContact CB-CB 4.41Å; A560-A623 PolarHBondContact N-O 2.69Å; A560-A623 PolarHBondContact O-N 2.78Å
561R93.5Very high90.6Very high5 Ų528.4 Ų28.42%0.01915%0.148CC..EExtended strand (participates in β ladder)trans-153.6143.6-178.166.7-147.8173.5-141.21109.2R592 A621 D770 D844 L1001 G1002 L1005R561-R592 VanDerWaalsContact O-CD 3.23Å; R561-R592 WeakPolarHBondContact O-CD 3.24Å; R561-R592 PolarHBondContact O-NH1 2.52Å; R561-A621 CarbonylContact C-O 3.44Å; R561-A621 VanDerWaalsContact CA-O 3.28Å; R561-A621 WeakPolarHBondContact CA-O 3.26Å; R561-D770 IonicContact CZ-OD1 3.88Å; R561-D770 VanDerWaalsContact CZ-OD1 3.22Å; R561-D770 IonicContact NH1-OD1 3.21Å; R561-D770 PolarHBondContact NH1-OD1 3.28Å; R561-D770 IonicContact NH1-OD2 2.69Å; R561-D770 PolarHBondContact NH1-OD2 3.28Å; R561-D770 IonicContact NH2-OD1 3.29Å; R561-D770 PolarHBondContact NH2-OD1 3.36Å; R561-D844 IonicContact NE-OD2 2.75Å; R561-L1001 HydrophobicContact CB-CD2 4.2Å; R561-L1001 HydrophobicContact CB-CG 4.44Å; R561-G1002 VanDerWaalsContact CD-CA 3.5Å; R561-L1005 HydrophobicContact CB-CD1 3.85Å; R561-L1005 HydrophobicContact CG-CD1 4.42Å
562V93.6Very high90.8Very high1 Ų135.2 Ų35.21%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-140.4138.8175.6177.20000107.1R564 I585 E588 L589 A620 A621 L1001V562-R564 HydrophobicContact CG1-CG 4.26Å; V562-I585 HydrophobicContact CB-CG2 4.41Å; V562-I585 HydrophobicContact CG1-CG1 4.13Å; V562-E588 HydrophobicContact CG2-CB 3.86Å; V562-E588 HydrophobicContact CG2-CG 3.7Å; V562-L589 HydrophobicContact CB-CD2 4.45Å; V562-L589 HydrophobicContact CG2-CD2 3.87Å; V562-L589 HydrophobicContact CG2-CG 3.88Å; V562-A620 WeakPolarHBondContact O-CA 3.28Å; V562-A621 PolarHBondContact N-O 2.81Å; V562-A621 PolarHBondContact O-N 2.85Å; V562-L1001 WeakPolarHBondContact O-CD2 3.39Å
563C93.7Very high91Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-136.1132.1168.8-167.10000108.1M618 I619 P843 D844 S845 L1001C563-M618 VanDerWaalsContact SG-CE 3.5Å; C563-I619 CarbonylContact C-O 3.51Å; C563-I619 VanDerWaalsContact CA-O 3.26Å; C563-I619 WeakPolarHBondContact CA-O 3.45Å; C563-I619 PolarHBondContact SG-O 2.94Å; C563-I619 VanDerWaalsContact SG-O 3.38Å; C563-P843 WeakPolarHBondContact O-CB 3.34Å; C563-D844 HydrophobicContact CB-CB 3.95Å; C563-D844 PolarHBondContact O-N 2.99Å; C563-S845 WeakPolarHBondContact O-CB 3.4Å; C563-S845 PolarHBondContact O-N 2.83Å; C563-L1001 HydrophobicContact CB-CB 3.82Å; C563-L1001 HydrophobicContact CB-CD2 3.81Å; C563-L1001 HydrophobicContact CB-CG 4.47Å
564R91.7Very high91.3Very high20 Ų2036.4 Ų36.48%0.07519%0.187CC..EExtended strand (participates in β ladder)trans-128.3151.6-178.8-75.2174.5-176.8-114.8-3110.8V562 E588 M618 I619 S845 E848V562-R564 HydrophobicContact CG1-CG 4.26Å; R564-E588 IonicContact CZ-OE2 3.42Å; R564-E588 IonicContact NE-OE2 2.72Å; R564-E588 IonicContact NH2-OE2 2.7Å; R564-E588 PolarHBondContact NH2-OE2 3.21Å; R564-M618 WeakPolarHBondContact O-CA 3.47Å; R564-I619 HydrophobicContact CB-CG2 3.83Å; R564-I619 PolarHBondContact N-O 2.93Å; R564-I619 PolarHBondContact O-N 2.84Å; R564-S845 VanDerWaalsContact CZ-OG 3.29Å; R564-S845 PolarHBondContact NE-OG 3.1Å; R564-S845 PolarHBondContact NH2-OG 3.13Å; R564-E848 VanDerWaalsContact CA-OE2 3.29Å; R564-E848 WeakPolarHBondContact CA-OE2 3.26Å
565S89.7Confident91.5Very high64 Ų6436 Ų3645%0.44819%0.186SC..EExtended strand (participates in β ladder)trans-68.6150.3165.168.30000111.2Y617 E848S565-Y617 CarbonylContact C-O 3.59Å; S565-Y617 WeakPolarHBondContact CA-O 3.43Å; S565-E848 WeakPolarHBondContact CB-OE1 3.29Å; S565-E848 PolarHBondContact N-OE1 2.87Å; S565-E848 PolarHBondContact N-OE2 2.86Å; S565-E848 PolarHBondContact OG-OE1 3.38Å
566K90.2Very high91.7Very high10 Ų1038.6 Ų38.64%0.04321%0.205CC..  trans-139.2148.2176.7178.1-165.8153.2-73.10106.5T569 E577 L578 V614 E616 Y617K566-T569 PolarHBondContact NZ-O 2.83Å; K566-E577 HydrophobicContact CG-CG 4.49Å; K566-L578 HydrophobicContact CD-CD2 4.22Å; K566-V614 HydrophobicContact CD-CG1 4.01Å; K566-E616 PolarHBondContact NZ-O 2.85Å; K566-Y617 PolarHBondContact N-O 3.16Å; K566-Y617 CarbonylContact O-C 3.42Å; K566-Y617 WeakPolarHBondContact O-CA 3.25Å; K566-Y617 VanDerWaalsContact O-O 3.07Å
567K89.7Confident91.8Very high140 Ų14039.5 Ų39.561%0.60921%0.209SC*.  trans-74.7152171.8-58.8156.8-163.11490110.2T569 E577K567-T569 VanDerWaalsContact C-N 3.29Å; K567-T569 HydrophobicContact CB-CG2 3.76Å; K567-T569 PolarHBondContact O-N 2.68Å; K567-T569 PolarHBondContact O-OG1 2.9Å; K567-E577 WeakPolarHBondContact CB-OE1 3.22Å; K567-E577 WeakPolarHBondContact CB-OE2 3.32Å; K567-E577 WeakPolarHBondContact CD-OE1 3.27Å; K567-E577 VanDerWaalsContact CG-OE1 3.26Å; K567-E577 WeakPolarHBondContact CG-OE1 3.44Å; K567-E577 PolarHBondContact N-OE1 3.5Å; K567-E577 IonicContact NZ-OE1 3.11Å
568D87.3Confident91.9Very high81 Ų8138.7 Ų38.743%0.43321%0.205SC..SBendtrans-71.592.5164.2174.823.9000108.9Y617D568-Y617 HydrophobicContact CB-CD1 3.97Å; D568-Y617 HydrophobicContact CB-CE1 3.46Å; D568-Y617 VanDerWaalsContact CB-CE1 3.46Å
569T88Confident91.9Very high24 Ų2441.2 Ų41.215%0.14722%0.223CC..  trans-134.8149.9-179.854.90000107.1K566 K567 V573 A574 E577K566-T569 PolarHBondContact NZ-O 2.83Å; K567-T569 VanDerWaalsContact C-N 3.29Å; K567-T569 HydrophobicContact CB-CG2 3.76Å; K567-T569 PolarHBondContact O-N 2.68Å; K567-T569 PolarHBondContact O-OG1 2.9Å; T569-V573 HydrophobicContact CG2-CG1 3.74Å; T569-A574 WeakPolarHBondContact O-CB 3.38Å; T569-A574 WeakPolarHBondContact OG1-CA 3.3Å; T569-E577 PolarHBondContact OG1-OE2 3.03Å
570K87.5Confident91.9Very high101 Ų10146.7 Ų46.744%0.43925%0.248SC..  trans-133.6159.2-177.4-54.4-176.1-179.8-110.80109.6E370E370-K570 IonicContact OE1-NZ 3.22Å; E370-K570 PolarHBondContact OE1-NZ 2.89Å; E370-K570 WeakPolarHBondContact OE2-CD 3.28Å; E370-K570 WeakPolarHBondContact OE2-CE 3.36Å; E370-K570 VanDerWaalsContact OE2-CG 3.25Å; E370-K570 WeakPolarHBondContact OE2-CG 3.44Å; E370-K570 IonicContact OE2-NZ 3.01Å; E370-K570 PolarHBondContact OE2-NZ 3.16Å
571G87.9Confident91.8Very high9 Ų947.9 Ų47.99%0.09326%0.255CS..Hα-helixtrans61-142179.500000114.6D371 V573 A574 A575D371-G571 WeakPolarHBondContact OD1-CA 3.49Å; D371-G571 PolarHBondContact OD1-N 2.89Å; D371-G571 WeakPolarHBondContact OD2-CA 3.33Å; D371-G571 PolarHBondContact OD2-N 2.77Å; G571-V573 VanDerWaalsContact C-N 3.27Å; G571-V573 PolarHBondContact O-N 2.9Å; G571-A574 WeakPolarHBondContact O-CB 3.33Å; G571-A574 PolarHBondContact O-N 3.08Å; G571-A575 PolarHBondContact O-N 2.93Å
572E91.1Very high91.9Very high157 Ų15748.1 Ų48.173%0.73426%0.256SS*.Hα-helixtrans-55.1-37.7-174.1-172.4177.7-171.800113.6A575 S576E572-A575 PolarHBondContact O-N 2.83Å; E572-S576 PolarHBondContact O-N 2.89Å
573V93.5Very high91.8Very high94 Ų9451.9 Ų51.957%0.5728%0.281SS*.Hα-helixtrans-65.8-40.8178.4-1760000111.1T569 G571 S576 E577T569-V573 HydrophobicContact CG2-CG1 3.74Å; G571-V573 VanDerWaalsContact C-N 3.27Å; G571-V573 PolarHBondContact O-N 2.9Å; V573-S576 PolarHBondContact O-N 2.83Å; V573-E577 WeakPolarHBondContact O-CB 3.5Å; V573-E577 PolarHBondContact O-N 3.37Å
574A91.8Very high91.8Very high0 Ų056.7 Ų56.70%030%0.302CS..Hα-helixtrans-67.5-40.1175.300000111.7V372 T569 G571 E577 L578V372-A574 HydrophobicContact CG2-CB 4.06Å; T569-A574 WeakPolarHBondContact O-CB 3.38Å; T569-A574 WeakPolarHBondContact OG1-CA 3.3Å; G571-A574 WeakPolarHBondContact O-CB 3.33Å; G571-A574 PolarHBondContact O-N 3.08Å; A574-E577 PolarHBondContact O-N 2.76Å; A574-L578 VanDerWaalsContact O-CB 3.32Å; A574-L578 WeakPolarHBondContact O-CB 3.48Å; A574-L578 VanDerWaalsContact O-CG 3.23Å; A574-L578 WeakPolarHBondContact O-CG 3.35Å; A574-L578 PolarHBondContact O-N 2.87Å
575A93.5Very high91.9Very high13 Ų1355.8 Ų55.811%0.10730%0.299CS..Hα-helixtrans-62.7-41.117600000112V322 V372 G571 E572 S579V322-A575 HydrophobicContact CG1-CB 4.02Å; V372-A575 HydrophobicContact CG1-CB 4.07Å; V372-A575 HydrophobicContact CG2-CB 4.14Å; G571-A575 PolarHBondContact O-N 2.93Å; E572-A575 PolarHBondContact O-N 2.83Å; A575-S579 WeakPolarHBondContact O-CB 3.45Å; A575-S579 PolarHBondContact O-N 2.88Å; A575-S579 PolarHBondContact O-OG 2.61Å
576S94.8Very high92Very high61 Ų6155.1 Ų55.143%0.42729%0.29SS..Hα-helixtrans-63.6-49.4174.1-165.40000111.7E572 V573 L578 S579 E580E572-S576 PolarHBondContact O-N 2.89Å; V573-S576 PolarHBondContact O-N 2.83Å; S576-L578 PolarHBondContact O-N 3.14Å; S576-S579 WeakPolarHBondContact O-CB 3.36Å; S576-S579 PolarHBondContact O-N 3.29Å; S576-S579 VanDerWaalsContact O-N 3.16Å; S576-E580 WeakPolarHBondContact O-CG 3.32Å; S576-E580 PolarHBondContact O-N 2.96Å
577E94.3Very high92.1Very high18 Ų1857.2 Ų57.28%0.08430%0.298CS..Hα-helixtrans-61-43179.5178.6168-15800112.3K566 K567 T569 V573 A574 S579 E580 I581K566-E577 HydrophobicContact CG-CG 4.49Å; K567-E577 WeakPolarHBondContact CB-OE1 3.22Å; K567-E577 WeakPolarHBondContact CB-OE2 3.32Å; K567-E577 WeakPolarHBondContact CD-OE1 3.27Å; K567-E577 VanDerWaalsContact CG-OE1 3.26Å; K567-E577 WeakPolarHBondContact CG-OE1 3.44Å; K567-E577 PolarHBondContact N-OE1 3.5Å; K567-E577 IonicContact NZ-OE1 3.11Å; T569-E577 PolarHBondContact OG1-OE2 3.03Å; V573-E577 WeakPolarHBondContact O-CB 3.5Å; V573-E577 PolarHBondContact O-N 3.37Å; A574-E577 PolarHBondContact O-N 2.76Å; E577-S579 VanDerWaalsContact C-N 3.35Å; E577-S579 PolarHBondContact O-N 3.3Å; E577-E580 PolarHBondContact O-N 2.73Å; E577-I581 HydrophobicContact CG-CD1 3.79Å; E577-I581 WeakPolarHBondContact O-CD1 3.39Å; E577-I581 VanDerWaalsContact O-CG1 3.25Å; E577-I581 WeakPolarHBondContact O-CG1 3.35Å; E577-I581 PolarHBondContact O-N 3.3Å; E577-I581 VanDerWaalsContact O-N 3.08Å
578L94.8Very high92.3Very high1 Ų150.6 Ų50.61%0.00527%0.269CS..Hα-helixtrans-64.7-38.8175.1-72.3169.2000112V322 V372 I374 K566 A574 S576 E580 I581 L582 V614 I619V322-L578 HydrophobicContact CG1-CB 4.35Å; V322-L578 HydrophobicContact CG2-CB 4.46Å; V372-L578 HydrophobicContact CB-CD1 4.42Å; V372-L578 HydrophobicContact CG1-CD1 3.87Å; I374-L578 HydrophobicContact CD1-CD1 4.47Å; I374-L578 HydrophobicContact CD1-CD2 4.37Å; K566-L578 HydrophobicContact CD-CD2 4.22Å; A574-L578 VanDerWaalsContact O-CB 3.32Å; A574-L578 WeakPolarHBondContact O-CB 3.48Å; A574-L578 VanDerWaalsContact O-CG 3.23Å; A574-L578 WeakPolarHBondContact O-CG 3.35Å; A574-L578 PolarHBondContact O-N 2.87Å; S576-L578 PolarHBondContact O-N 3.14Å; L578-E580 VanDerWaalsContact C-N 3.33Å; L578-E580 PolarHBondContact O-N 3.1Å; L578-I581 PolarHBondContact O-N 3.4Å; L578-L582 VanDerWaalsContact O-CG 3.29Å; L578-L582 WeakPolarHBondContact O-CG 3.28Å; L578-L582 PolarHBondContact O-N 3.17Å; L578-L582 VanDerWaalsContact O-N 3.09Å; L578-V614 HydrophobicContact CD1-CG1 4.36Å; L578-V614 HydrophobicContact CD2-CG1 4.09Å; L578-V614 HydrophobicContact CD2-CG2 4.11Å; L578-I619 HydrophobicContact CD2-CD1 3.77Å
579S94.8Very high92.6Very high57 Ų5746.9 Ų46.940%0.39925%0.249SC..Hα-helixtrans-63.5-37.9176.2-58.70000112.3V322 A575 S576 E577 P583V322-S579 WeakPolarHBondContact CB-OG 3.35Å; A575-S579 WeakPolarHBondContact O-CB 3.45Å; A575-S579 PolarHBondContact O-N 2.88Å; A575-S579 PolarHBondContact O-OG 2.61Å; S576-S579 WeakPolarHBondContact O-CB 3.36Å; S576-S579 PolarHBondContact O-N 3.29Å; S576-S579 VanDerWaalsContact O-N 3.16Å; E577-S579 VanDerWaalsContact C-N 3.35Å; E577-S579 PolarHBondContact O-N 3.3Å; S579-P583 WeakPolarHBondContact O-CD 3.48Å
580E94.1Very high92.8Very high124 Ų12449.3 Ų49.358%0.57926%0.259SS*.Hα-helixtrans-69.3-36.2175.2-71.9171.7-15500112.6S576 E577 L578 F584S576-E580 WeakPolarHBondContact O-CG 3.32Å; S576-E580 PolarHBondContact O-N 2.96Å; E577-E580 PolarHBondContact O-N 2.73Å; L578-E580 VanDerWaalsContact C-N 3.33Å; L578-E580 PolarHBondContact O-N 3.1Å; E580-F584 VanDerWaalsContact O-CD2 3.24Å; E580-F584 WeakPolarHBondContact O-CD2 3.18Å; E580-F584 VanDerWaalsContact O-CE2 3.29Å; E580-F584 WeakPolarHBondContact O-CE2 3.33Å
581I93.3Very high93.1Very high25 Ų2544.7 Ų44.713%0.12824%0.239CC..Hα-helixtrans-79.4-35.8-174.8-68.3166.5000112.9E577 L578 F584 I585 I619E577-I581 HydrophobicContact CG-CD1 3.79Å; E577-I581 WeakPolarHBondContact O-CD1 3.39Å; E577-I581 VanDerWaalsContact O-CG1 3.25Å; E577-I581 WeakPolarHBondContact O-CG1 3.35Å; E577-I581 PolarHBondContact O-N 3.3Å; E577-I581 VanDerWaalsContact O-N 3.08Å; L578-I581 PolarHBondContact O-N 3.4Å; I581-F584 PolarHBondContact O-N 3.31Å; I581-F584 VanDerWaalsContact O-N 3.16Å; I581-I585 HydrophobicContact CG2-CD1 3.65Å; I581-I585 HydrophobicContact CG2-CG1 3.93Å; I581-I585 PolarHBondContact O-N 3.31Å; I581-I619 HydrophobicContact CG2-CG2 4.12Å
582L94.1Very high93.3Very high10 Ų1044.5 Ų44.55%0.05224%0.235CC..Hα-helixtrans-55.4-44.8-171.2-81.6170.1000115.3K320 V322 I374 L578 F584 I585 D586 I612K320-L582 HydrophobicContact CD-CD1 4.45Å; K320-L582 HydrophobicContact CD-CD2 4.15Å; V322-L582 HydrophobicContact CG2-CD1 3.49Å; V322-L582 VanDerWaalsContact CG2-CD1 3.49Å; I374-L582 HydrophobicContact CD1-CD1 4.43Å; I374-L582 HydrophobicContact CG2-CD1 3.92Å; I374-L582 HydrophobicContact CG2-CD2 4.47Å; L578-L582 VanDerWaalsContact O-CG 3.29Å; L578-L582 WeakPolarHBondContact O-CG 3.28Å; L578-L582 PolarHBondContact O-N 3.17Å; L578-L582 VanDerWaalsContact O-N 3.09Å; L582-F584 VanDerWaalsContact C-N 3.25Å; L582-F584 PolarHBondContact O-N 3.47Å; L582-I585 WeakPolarHBondContact O-CB 3.3Å; L582-I585 PolarHBondContact O-N 3.36Å; L582-I585 VanDerWaalsContact O-N 3.09Å; L582-D586 PolarHBondContact O-N 3.2Å; L582-I612 HydrophobicContact CD2-CD1 3.78Å
583P92.8Very high93.5Very high81 Ų8137 Ų3753%0.52620%0.2SC..Hα-helixtrans-58.7-35.6178.7-26.235.7000113.4S579 D586 Y587S579-P583 WeakPolarHBondContact O-CD 3.48Å; P583-D586 PolarHBondContact O-N 3.38Å; P583-Y587 WeakPolarHBondContact O-CB 3.31Å; P583-Y587 PolarHBondContact O-N 3.26Å
584F92.9Very high93.4Very high101 Ų10133.2 Ų33.244%0.44318%0.176SC..Hα-helixtrans-72.7-34.8177.1-58.6-78.7000112.4E580 I581 L582 E588 F847E580-F584 VanDerWaalsContact O-CD2 3.24Å; E580-F584 WeakPolarHBondContact O-CD2 3.18Å; E580-F584 VanDerWaalsContact O-CE2 3.29Å; E580-F584 WeakPolarHBondContact O-CE2 3.33Å; I581-F584 PolarHBondContact O-N 3.31Å; I581-F584 VanDerWaalsContact O-N 3.16Å; L582-F584 VanDerWaalsContact C-N 3.25Å; L582-F584 PolarHBondContact O-N 3.47Å; F584-E588 WeakPolarHBondContact O-CB 3.42Å; F584-E588 PolarHBondContact O-N 2.75Å; F584-F847 HydrophobicContact CD1-CE1 4.49Å
585I93.8Very high93.5Very high1 Ų133.2 Ų33.21%0.00518%0.176CC..Hα-helixtrans-63-45.5171.8-68.8179.8000110.2V562 I581 L582 E588 L589 I619 A621V562-I585 HydrophobicContact CB-CG2 4.41Å; V562-I585 HydrophobicContact CG1-CG1 4.13Å; I581-I585 HydrophobicContact CG2-CD1 3.65Å; I581-I585 HydrophobicContact CG2-CG1 3.93Å; I581-I585 PolarHBondContact O-N 3.31Å; L582-I585 WeakPolarHBondContact O-CB 3.3Å; L582-I585 PolarHBondContact O-N 3.36Å; L582-I585 VanDerWaalsContact O-N 3.09Å; I585-E588 PolarHBondContact O-N 2.68Å; I585-L589 HydrophobicContact CG2-CD1 3.82Å; I585-L589 HydrophobicContact CG2-CG 4.23Å; I585-L589 WeakPolarHBondContact O-CB 3.36Å; I585-L589 VanDerWaalsContact O-CG 3.29Å; I585-L589 WeakPolarHBondContact O-CG 3.26Å; I585-L589 PolarHBondContact O-N 2.98Å; I585-I619 HydrophobicContact CD1-CD1 3.62Å; I585-I619 HydrophobicContact CD1-CG1 3.86Å; I585-I619 HydrophobicContact CD1-CG2 3.9Å; I585-A621 HydrophobicContact CG2-CB 3.51Å
586D92.3Very high93.5Very high49 Ų4933 Ų3326%0.26217%0.173SC..Hα-helixtrans-65.3-46.2-179.6-81.4-31.7000112.8K320 L582 P583 E588 L589 H590K320-D586 WeakPolarHBondContact CE-OD1 3.42Å; K320-D586 WeakPolarHBondContact CE-OD2 3.41Å; K320-D586 IonicContact NZ-OD1 2.78Å; K320-D586 PolarHBondContact NZ-OD1 3.12Å; K320-D586 IonicContact NZ-OD2 3.22Å; K320-D586 PolarHBondContact NZ-OD2 3.49Å; L582-D586 PolarHBondContact O-N 3.2Å; P583-D586 PolarHBondContact O-N 3.38Å; D586-E588 VanDerWaalsContact C-N 3.32Å; D586-E588 PolarHBondContact O-N 3.12Å; D586-L589 PolarHBondContact O-N 3.13Å; D586-H590 WeakPolarHBondContact O-CB 3.42Å; D586-H590 PolarHBondContact O-N 3.19Å
587Y92.8Very high93.4Very high55 Ų5530 Ų3022%0.21615%0.152CC..Hα-helixtrans-56.3-47.7172.9173.5-94.7000111.1P583 H590 Y591 L754 T756 F847P583-Y587 WeakPolarHBondContact O-CB 3.31Å; P583-Y587 PolarHBondContact O-N 3.26Å; Y587-H590 PolarHBondContact O-N 3.04Å; Y587-Y591 WeakPolarHBondContact O-CB 3.46Å; Y587-Y591 PolarHBondContact O-N 2.62Å; Y587-L754 HydrophobicContact CD2-CD1 4.36Å; Y587-T756 HydrophobicContact CE2-CG2 4.27Å; Y587-F847 HydrophobicContact CD1-CE2 4.3Å; Y587-F847 AromaticContact CD1-CZ 3.92Å; Y587-F847 HydrophobicContact CD1-CZ 3.92Å; Y587-F847 HydrophobicContact CE1-CZ 4.01Å
588E92.6Very high93.3Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-70.6-34.5-176.9-170.1175.2-176.200112.8V562 R564 F584 I585 D586 R592 S845 F846 F847V562-E588 HydrophobicContact CG2-CB 3.86Å; V562-E588 HydrophobicContact CG2-CG 3.7Å; R564-E588 IonicContact CZ-OE2 3.42Å; R564-E588 IonicContact NE-OE2 2.72Å; R564-E588 IonicContact NH2-OE2 2.7Å; R564-E588 PolarHBondContact NH2-OE2 3.21Å; F584-E588 WeakPolarHBondContact O-CB 3.42Å; F584-E588 PolarHBondContact O-N 2.75Å; I585-E588 PolarHBondContact O-N 2.68Å; D586-E588 VanDerWaalsContact C-N 3.32Å; D586-E588 PolarHBondContact O-N 3.12Å; E588-R592 VanDerWaalsContact O-CB 3.27Å; E588-R592 WeakPolarHBondContact O-CB 3.38Å; E588-R592 WeakPolarHBondContact O-CG 3.25Å; E588-R592 PolarHBondContact O-N 3.06Å; E588-R592 IonicContact OE1-CZ 3.3Å; E588-R592 VanDerWaalsContact OE1-CZ 3.26Å; E588-R592 IonicContact OE1-NE 3.72Å; E588-R592 PolarHBondContact OE1-NE 3.24Å; E588-R592 IonicContact OE1-NH2 3.66Å; E588-R592 PolarHBondContact OE1-NH2 2.65Å; E588-S845 WeakPolarHBondContact OE1-CA 3.35Å; E588-F846 HydrophobicContact CG-CD2 4.11Å; E588-F846 VanDerWaalsContact OE1-CD2 3.27Å; E588-F846 WeakPolarHBondContact OE1-CD2 3.26Å; E588-F846 WeakPolarHBondContact OE1-CG 3.46Å; E588-F846 PolarHBondContact OE1-N 2.77Å; E588-F847 HydrophobicContact CB-CE2 4.31Å; E588-F847 HydrophobicContact CG-CE2 4.48Å
589L94.3Very high93.1Very high3 Ų330.9 Ų30.92%0.01616%0.155CC..Hα-helixtrans-63.8-50.4170.4-76.6173.2000111.1A560 V562 I585 D586 Y591 R592 L593 Y610 A621 A623A560-L589 HydrophobicContact CB-CD2 3.93Å; A560-L589 WeakPolarHBondContact CB-O 3.41Å; V562-L589 HydrophobicContact CB-CD2 4.45Å; V562-L589 HydrophobicContact CG2-CD2 3.87Å; V562-L589 HydrophobicContact CG2-CG 3.88Å; I585-L589 HydrophobicContact CG2-CD1 3.82Å; I585-L589 HydrophobicContact CG2-CG 4.23Å; I585-L589 WeakPolarHBondContact O-CB 3.36Å; I585-L589 VanDerWaalsContact O-CG 3.29Å; I585-L589 WeakPolarHBondContact O-CG 3.26Å; I585-L589 PolarHBondContact O-N 2.98Å; D586-L589 PolarHBondContact O-N 3.13Å; L589-Y591 PolarHBondContact O-N 3.05Å; L589-R592 PolarHBondContact O-N 3.09Å; L589-L593 WeakPolarHBondContact O-CG 3.43Å; L589-L593 PolarHBondContact O-N 3.27Å; L589-Y610 HydrophobicContact CD1-CD1 4.22Å; L589-Y610 HydrophobicContact CD1-CE1 4.46Å; L589-A621 HydrophobicContact CD1-CB 3.95Å; L589-A623 HydrophobicContact CD2-CB 4.15Å
590H93Very high92.9Very high76 Ų7628.8 Ų28.835%0.35214%0.138SC..Hα-helixtrans-58.3-48.7178.9-178.191.4000111.2F540 D586 Y587 R592 L593 M594F540-H590 AromaticContact CD2-CE1 3.94Å; F540-H590 AromaticContact CD2-ND1 3.91Å; F540-H590 AromaticContact CE2-CE1 3.56Å; F540-H590 AromaticContact CE2-ND1 3.48Å; F540-H590 WeakPolarHBondContact CE2-ND1 3.5Å; D586-H590 WeakPolarHBondContact O-CB 3.42Å; D586-H590 PolarHBondContact O-N 3.19Å; Y587-H590 PolarHBondContact O-N 3.04Å; H590-R592 PolarHBondContact O-N 3.35Å; H590-L593 WeakPolarHBondContact O-CB 3.34Å; H590-L593 PolarHBondContact O-N 2.83Å; H590-M594 PolarHBondContact O-N 2.95Å
591Y93Very high92.8Very high3 Ų323.9 Ų23.91%0.01212%0.116CC..Hα-helixtrans-55.6-50.8175174.2-115.9000112.4Y587 L589 L593 M594 Q595 T756 R757 P759 E763 F846Y587-Y591 WeakPolarHBondContact O-CB 3.46Å; Y587-Y591 PolarHBondContact O-N 2.62Å; L589-Y591 PolarHBondContact O-N 3.05Å; Y591-L593 VanDerWaalsContact C-N 3.34Å; Y591-L593 PolarHBondContact O-N 2.86Å; Y591-M594 PolarHBondContact O-N 2.87Å; Y591-Q595 HydrophobicContact CD2-CG 4.02Å; Y591-Q595 HydrophobicContact CE2-CG 3.63Å; Y591-Q595 WeakPolarHBondContact O-CG 3.25Å; Y591-Q595 PolarHBondContact O-N 3.4Å; Y591-T756 HydrophobicContact CD2-CG2 4.28Å; Y591-R757 WeakPolarHBondContact CE2-O 3.47Å; Y591-R757 PolarHBondContact OH-NH1 3.08Å; Y591-P759 WeakPolarHBondContact OH-CA 3.25Å; Y591-P759 VanDerWaalsContact OH-CB 3.31Å; Y591-P759 WeakPolarHBondContact OH-CB 3.41Å; Y591-E763 PolarHBondContact OH-OE2 2.92Å; Y591-F846 HydrophobicContact CD1-CD2 4.4Å; Y591-F846 HydrophobicContact CD1-CE2 4.09Å; Y591-F846 HydrophobicContact CE1-CD2 4.17Å; Y591-F846 AromaticContact CE1-CE2 3.81Å; Y591-F846 HydrophobicContact CE1-CE2 3.81Å
592R93Very high92.8Very high5 Ų522.8 Ų22.82%0.01911%0.11CC..Hα-helixtrans-63.9-34.8178.1-73.9173.2-177.3-141-4.8112.3A560 R561 E588 L589 H590 K596 D844 F846A560-R592 HydrophobicContact CB-CB 3.78Å; R561-R592 VanDerWaalsContact O-CD 3.23Å; R561-R592 WeakPolarHBondContact O-CD 3.24Å; R561-R592 PolarHBondContact O-NH1 2.52Å; E588-R592 VanDerWaalsContact O-CB 3.27Å; E588-R592 WeakPolarHBondContact O-CB 3.38Å; E588-R592 WeakPolarHBondContact O-CG 3.25Å; E588-R592 PolarHBondContact O-N 3.06Å; E588-R592 IonicContact OE1-CZ 3.3Å; E588-R592 VanDerWaalsContact OE1-CZ 3.26Å; E588-R592 IonicContact OE1-NE 3.72Å; E588-R592 PolarHBondContact OE1-NE 3.24Å; E588-R592 IonicContact OE1-NH2 3.66Å; E588-R592 PolarHBondContact OE1-NH2 2.65Å; L589-R592 PolarHBondContact O-N 3.09Å; H590-R592 PolarHBondContact O-N 3.35Å; R592-K596 WeakPolarHBondContact O-CB 3.37Å; R592-K596 WeakPolarHBondContact O-CG 3.18Å; R592-K596 PolarHBondContact O-N 3.36Å; R592-D844 IonicContact NH1-OD2 2.68Å; R592-D844 PolarHBondContact NH2-O 2.96Å; R592-F846 HydrophobicContact CG-CE2 4Å; R592-F846 HydrophobicContact CG-CZ 4.5Å; R592-F846 VanDerWaalsContact NE-CE2 3.3Å; R592-F846 VanDerWaalsContact NH2-CE1 3.3Å; R592-F846 VanDerWaalsContact NH2-CZ 3.3Å
593L94.4Very high92.8Very high0 Ų022.3 Ų22.30%011%0.108CC..Hα-helixtrans-64.4-51.2173.7-73174000111F540 V558 A560 L589 H590 Y591 K596 L597 L605 L608 A623F540-L593 HydrophobicContact CE2-CB 4.03Å; F540-L593 HydrophobicContact CE2-CD1 4.03Å; F540-L593 HydrophobicContact CZ-CB 3.74Å; F540-L593 HydrophobicContact CZ-CD1 4.47Å; V558-L593 HydrophobicContact CG1-CD2 4.05Å; A560-L593 HydrophobicContact CB-CD2 3.62Å; A560-L593 HydrophobicContact CB-CG 3.62Å; L589-L593 WeakPolarHBondContact O-CG 3.43Å; L589-L593 PolarHBondContact O-N 3.27Å; H590-L593 WeakPolarHBondContact O-CB 3.34Å; H590-L593 PolarHBondContact O-N 2.83Å; Y591-L593 VanDerWaalsContact C-N 3.34Å; Y591-L593 PolarHBondContact O-N 2.86Å; L593-K596 PolarHBondContact O-N 2.82Å; L593-L597 WeakPolarHBondContact O-CG 3.25Å; L593-L597 PolarHBondContact O-N 3.12Å; L593-L605 HydrophobicContact CB-CD2 4.4Å; L593-L605 HydrophobicContact CD1-CD2 3.99Å; L593-L605 HydrophobicContact CD2-CD2 4.04Å; L593-L605 HydrophobicContact CG-CD2 4.37Å; L593-L608 HydrophobicContact CD1-CD1 4.01Å; L593-L608 HydrophobicContact CD1-CD2 4.26Å; L593-A623 HydrophobicContact CD1-CB 3.98Å; L593-A623 HydrophobicContact CD2-CB 4.38Å; L593-A623 HydrophobicContact CG-CB 4.42Å
594M92.4Very high92.9Very high14 Ų1418.4 Ų18.47%0.0698%0.083CC..Hα-helixtrans-59.4-50.2-179.7-178.7-168.666.400111.4L538 H590 Y591 K596 L597 R598 T756L538-M594 HydrophobicContact CD2-CB 4.03Å; L538-M594 HydrophobicContact CD2-CG 3.75Å; H590-M594 PolarHBondContact O-N 2.95Å; Y591-M594 PolarHBondContact O-N 2.87Å; M594-K596 VanDerWaalsContact C-N 3.28Å; M594-K596 PolarHBondContact O-N 3.03Å; M594-L597 PolarHBondContact O-N 2.96Å; M594-L597 VanDerWaalsContact O-N 3.13Å; M594-R598 WeakPolarHBondContact O-CG 3.41Å; M594-R598 PolarHBondContact O-N 3.17Å; M594-R598 PolarHBondContact SD-NH2 2.76Å; M594-T756 HydrophobicContact CE-CG2 4.19Å; M594-T756 WeakPolarHBondContact CE-OG1 3.42Å
595Q92.3Very high93Very high0 Ų013.6 Ų13.60%06%0.061CC..Hα-helixtrans-64.4-33.3-178.4-64.6-63.4-4.400112.1Y591 L599 L767Y591-Q595 HydrophobicContact CD2-CG 4.02Å; Y591-Q595 HydrophobicContact CE2-CG 3.63Å; Y591-Q595 WeakPolarHBondContact O-CG 3.25Å; Y591-Q595 PolarHBondContact O-N 3.4Å; Q595-L599 WeakPolarHBondContact O-CB 3.3Å; Q595-L599 WeakPolarHBondContact O-CG 3.39Å; Q595-L599 PolarHBondContact O-N 2.89Å; Q595-L767 HydrophobicContact CB-CD1 3.68Å; Q595-L767 HydrophobicContact CG-CD1 4.41Å
596K93.2Very high93.1Very high8 Ų813.6 Ų13.64%0.0356%0.061CC..Hα-helixtrans-68.6-37173.1-72.4177.9-167.4-163.30112.7V558 Q559 R592 L593 M594 L599 R600 L767 D770V558-K596 HydrophobicContact CG1-CB 3.95Å; Q559-K596 WeakPolarHBondContact O-CD 3.36Å; Q559-K596 PolarHBondContact O-NZ 2.92Å; R592-K596 WeakPolarHBondContact O-CB 3.37Å; R592-K596 WeakPolarHBondContact O-CG 3.18Å; R592-K596 PolarHBondContact O-N 3.36Å; L593-K596 PolarHBondContact O-N 2.82Å; M594-K596 VanDerWaalsContact C-N 3.28Å; M594-K596 PolarHBondContact O-N 3.03Å; K596-L599 CarbonylContact O-C 3.58Å; K596-L599 PolarHBondContact O-N 3.34Å; K596-R600 WeakPolarHBondContact O-CB 3.49Å; K596-R600 VanDerWaalsContact O-CG 3.26Å; K596-R600 WeakPolarHBondContact O-CG 3.17Å; K596-R600 PolarHBondContact O-N 2.77Å; K596-L767 HydrophobicContact CD-CD2 4.36Å; K596-L767 VanDerWaalsContact CE-CD2 3.46Å; K596-L767 HydrophobicContact CG-CD2 3.9Å; K596-D770 VanDerWaalsContact CE-OD2 3.28Å; K596-D770 WeakPolarHBondContact CE-OD2 3.35Å; K596-D770 IonicContact NZ-OD2 3.26Å; K596-D770 PolarHBondContact NZ-OD2 3.17Å
597L93Very high93.2Very high0 Ų011.5 Ų11.50%05%0.051CC..Hα-helixtrans-66-44.2174.1-76.3159.3000111.9L538 F540 V558 L593 M594 L599 R600 N601 M602 L605L538-L597 HydrophobicContact CD1-CB 4.45Å; L538-L597 HydrophobicContact CD1-CD1 4.24Å; F540-L597 HydrophobicContact CD1-CD1 4.35Å; F540-L597 HydrophobicContact CE1-CD1 3.42Å; F540-L597 VanDerWaalsContact CE1-CD1 3.42Å; F540-L597 HydrophobicContact CZ-CD1 4.08Å; V558-L597 HydrophobicContact CG1-CG 4.33Å; V558-L597 HydrophobicContact CG2-CD2 3.93Å; V558-L597 HydrophobicContact CG2-CG 4.4Å; L593-L597 WeakPolarHBondContact O-CG 3.25Å; L593-L597 PolarHBondContact O-N 3.12Å; M594-L597 PolarHBondContact O-N 2.96Å; M594-L597 VanDerWaalsContact O-N 3.13Å; L597-L599 PolarHBondContact O-N 2.86Å; L597-R600 CarbonylContact O-C 3.51Å; L597-R600 WeakPolarHBondContact O-CA 3.3Å; L597-R600 PolarHBondContact O-N 2.77Å; L597-N601 PolarHBondContact O-N 3.47Å; L597-M602 CarbonylContact C-O 3.46Å; L597-M602 HydrophobicContact CD2-CB 3.73Å; L597-M602 PolarHBondContact O-N 3.32Å; L597-L605 HydrophobicContact CD1-CB 3.93Å; L597-L605 HydrophobicContact CD1-CD1 4.44Å; L597-L605 HydrophobicContact CD1-CD2 4.18Å; L597-L605 HydrophobicContact CD1-CG 4.42Å; L597-L605 HydrophobicContact CD2-CD1 4.45Å
598R91.8Very high93.3Very high36 Ų368.9 Ų8.914%0.1364%0.041CC..Hα-helixtrans-55.6-48.3171.1-66.9-178.5-178-1701.4111.3M594 R600 N601 P636 P639 E758M594-R598 WeakPolarHBondContact O-CG 3.41Å; M594-R598 PolarHBondContact O-N 3.17Å; M594-R598 PolarHBondContact SD-NH2 2.76Å; R598-R600 PolarHBondContact O-N 3.28Å; R598-N601 PolarHBondContact O-N 3.21Å; R598-P636 HydrophobicContact CG-CB 4.18Å; R598-P639 HydrophobicContact CB-CG 4.23Å; R598-E758 IonicContact CZ-OE1 3.36Å; R598-E758 IonicContact NH1-OE1 3.49Å; R598-E758 PolarHBondContact NH1-OE1 3.34Å; R598-E758 IonicContact NH1-OE2 3.76Å
599L91.5Very high93.5Very high0 Ų011 Ų110%05%0.049CC..Hα-helixtrans-65.7-20174.5-73.6173.1000114.5Q595 K596 L597 P639 I664 Y667 L764 L767 L768Q595-L599 WeakPolarHBondContact O-CB 3.3Å; Q595-L599 WeakPolarHBondContact O-CG 3.39Å; Q595-L599 PolarHBondContact O-N 2.89Å; K596-L599 CarbonylContact O-C 3.58Å; K596-L599 PolarHBondContact O-N 3.34Å; L597-L599 PolarHBondContact O-N 2.86Å; L599-P639 HydrophobicContact CD2-CG 4.01Å; L599-P639 HydrophobicContact CG-CG 4.11Å; L599-I664 HydrophobicContact CD2-CG2 4.15Å; L599-Y667 HydrophobicContact CB-CD1 4.44Å; L599-Y667 HydrophobicContact CB-CE1 4.24Å; L599-L764 HydrophobicContact CD1-CD1 4.23Å; L599-L764 HydrophobicContact CD2-CD1 4.36Å; L599-L767 HydrophobicContact CD1-CB 3.72Å; L599-L767 HydrophobicContact CD1-CD1 4.44Å; L599-L768 HydrophobicContact CD1-CD2 4.4Å; L599-L768 HydrophobicContact CD2-CD2 4.04Å
600R91.5Very high93.5Very high14 Ų1411.7 Ų11.75%0.0535%0.051CC..Hα-helixtrans-86-11.2171.2-72.2-66.3179.1-73.612.8113.2K596 L597 R598 M602 Y667 S671 Y675K596-R600 WeakPolarHBondContact O-CB 3.49Å; K596-R600 VanDerWaalsContact O-CG 3.26Å; K596-R600 WeakPolarHBondContact O-CG 3.17Å; K596-R600 PolarHBondContact O-N 2.77Å; L597-R600 CarbonylContact O-C 3.51Å; L597-R600 WeakPolarHBondContact O-CA 3.3Å; L597-R600 PolarHBondContact O-N 2.77Å; R598-R600 PolarHBondContact O-N 3.28Å; R600-M602 VanDerWaalsContact C-N 3.34Å; R600-M602 HydrophobicContact CB-CB 4.19Å; R600-M602 HydrophobicContact CB-CG 3.98Å; R600-M602 HydrophobicContact CB-SD 3.85Å; R600-Y667 VanDerWaalsContact CZ-OH 3.29Å; R600-Y667 VanDerWaalsContact NH1-CE1 3.33Å; R600-Y667 PolarHBondContact NH1-OH 2.88Å; R600-Y667 PolarHBondContact NH2-OH 2.78Å; R600-S671 VanDerWaalsContact CA-OG 3.3Å; R600-S671 WeakPolarHBondContact CA-OG 3.37Å; R600-S671 PolarHBondContact O-OG 3.38Å; R600-Y675 VanDerWaalsContact CD-CE2 3.41Å; R600-Y675 PolarHBondContact NE-OH 3.49Å
601N92Very high93.6Very high21 Ų219.6 Ų9.611%0.1124%0.041CC..THydrogen-bonded Turntrans61.139.1-166.8-158.255.6000112.8L597 R598 Y629 R672 I677L597-N601 PolarHBondContact O-N 3.47Å; R598-N601 PolarHBondContact O-N 3.21Å; N601-Y629 WeakPolarHBondContact O-CD2 3.39Å; N601-R672 HydrophobicContact CB-CG 4.14Å; N601-R672 WeakPolarHBondContact ND2-CD 3.43Å; N601-I677 HydrophobicContact CB-CD1 4.47Å; N601-I677 WeakPolarHBondContact O-CD1 3.12Å
602M93Very high93.6Very high1 Ų110 Ų101%0.0054%0.043CC..  trans-120.2150.5-177.3-73.3175.9167.900111.1N554 A556 L597 R600 G627 V628 Y675 I677N554-M602 WeakPolarHBondContact O-CE 3.49Å; A556-M602 HydrophobicContact CB-CE 3.68Å; A556-M602 HydrophobicContact CB-SD 3.71Å; L597-M602 CarbonylContact C-O 3.46Å; L597-M602 HydrophobicContact CD2-CB 3.73Å; L597-M602 PolarHBondContact O-N 3.32Å; R600-M602 VanDerWaalsContact C-N 3.34Å; R600-M602 HydrophobicContact CB-CB 4.19Å; R600-M602 HydrophobicContact CB-CG 3.98Å; R600-M602 HydrophobicContact CB-SD 3.85Å; M602-G627 VanDerWaalsContact SD-O 3.41Å; M602-V628 WeakPolarHBondContact CB-O 3.38Å; M602-Y675 HydrophobicContact CE-CD1 3.95Å; M602-Y675 HydrophobicContact CE-CD2 4.22Å; M602-Y675 HydrophobicContact CE-CG 3.71Å; M602-I677 HydrophobicContact CE-CD1 4.09Å; M602-I677 HydrophobicContact CG-CD1 3.85Å
603N93.2Very high93.7Very high0 Ų010 Ų100%04%0.044CC..  trans-128.6-1.3-174.55813.4000114.1L538 L539 V628 I630 L633 P634L538-N603 WeakPolarHBondContact CA-O 3.48Å; L539-N603 PolarHBondContact N-O 2.91Å; N603-V628 PolarHBondContact N-O 3.03Å; N603-I630 PolarHBondContact ND2-O 3.08Å; N603-I630 PolarHBondContact OD1-N 2.78Å; N603-L633 HydrophobicContact CB-CB 4.4Å; N603-L633 HydrophobicContact CB-CD1 4.49Å; N603-L633 WeakPolarHBondContact ND2-CB 3.37Å; N603-P634 PolarHBondContact ND2-O 3.49Å
604G94.2Very high93.7Very high0 Ų010.6 Ų10.60%05%0.047CC..EExtended strand (participates in β ladder)trans-125.1148172.600000112.6L539 G627 V628L539-G604 CarbonylContact O-C 3.41Å; L539-G604 WeakPolarHBondContact O-CA 3.43Å; G604-G627 CarbonylContact O-C 3.52Å; G604-G627 WeakPolarHBondContact O-CA 3.45Å; G604-V628 PolarHBondContact N-O 3.2Å; G604-V628 PolarHBondContact O-N 3.2Å
605L96.1Very high93.6Very high0 Ų010.1 Ų10.10%05%0.046CC..EExtended strand (participates in β ladder)trans-137.3118.8176.3-173.767.2000109.7L539 F540 S541 V558 L593 L597 L608 T626L539-L605 PolarHBondContact O-N 3.05Å; F540-L605 HydrophobicContact CD1-CB 3.69Å; F540-L605 HydrophobicContact CD1-CD2 3.94Å; F540-L605 HydrophobicContact CD1-CG 4.45Å; F540-L605 HydrophobicContact CE1-CB 4.06Å; F540-L605 HydrophobicContact CE1-CD2 3.9Å; F540-L605 HydrophobicContact CE2-CD2 4.5Å; F540-L605 HydrophobicContact CG-CB 4.46Å; F540-L605 HydrophobicContact CG-CD2 4.27Å; F540-L605 HydrophobicContact CZ-CD2 4.2Å; S541-L605 PolarHBondContact N-O 3.12Å; V558-L605 HydrophobicContact CB-CD1 3.9Å; V558-L605 HydrophobicContact CG1-CD1 4.41Å; V558-L605 HydrophobicContact CG2-CD1 4.37Å; L593-L605 HydrophobicContact CB-CD2 4.4Å; L593-L605 HydrophobicContact CD1-CD2 3.99Å; L593-L605 HydrophobicContact CD2-CD2 4.04Å; L593-L605 HydrophobicContact CG-CD2 4.37Å; L597-L605 HydrophobicContact CD1-CB 3.93Å; L597-L605 HydrophobicContact CD1-CD1 4.44Å; L597-L605 HydrophobicContact CD1-CD2 4.18Å; L597-L605 HydrophobicContact CD1-CG 4.42Å; L597-L605 HydrophobicContact CD2-CD1 4.45Å; L605-L608 HydrophobicContact CD2-CD1 3.97Å; L605-L608 HydrophobicContact CD2-CD2 4.08Å; L605-L608 HydrophobicContact CD2-CG 4.49Å; L605-T626 WeakPolarHBondContact CA-O 3.48Å
606F95.4Very high93.4Very high0 Ų013.5 Ų13.50%06%0.062CC..EExtended strand (participates in β ladder)trans-122162.7-176-71.2-93.2000112.1F313 L539 S541 S543 F545 L549 L608 T626 V628 I630 T781 T782F313-F606 HydrophobicContact CZ-CE1 4.02Å; L539-F606 HydrophobicContact CD2-CZ 3.87Å; S541-F606 CarbonylContact O-C 3.49Å; S541-F606 WeakPolarHBondContact O-CA 3.45Å; S543-F606 WeakPolarHBondContact O-CB 3.27Å; S543-F606 WeakPolarHBondContact O-CD1 2.87Å; F545-F606 HydrophobicContact CD1-CB 3.8Å; F545-F606 HydrophobicContact CD1-CD1 4.09Å; F545-F606 AromaticContact CD1-CD2 3.61Å; F545-F606 HydrophobicContact CD1-CD2 3.61Å; F545-F606 HydrophobicContact CD1-CE2 4.2Å; F545-F606 AromaticContact CD1-CG 3.55Å; F545-F606 HydrophobicContact CD1-CG 3.55Å; F545-F606 HydrophobicContact CE1-CB 3.49Å; F545-F606 VanDerWaalsContact CE1-CB 3.49Å; F545-F606 AromaticContact CE1-CD2 3.55Å; F545-F606 HydrophobicContact CE1-CD2 3.55Å; F545-F606 HydrophobicContact CE1-CE2 4.44Å; F545-F606 AromaticContact CE1-CG 3.63Å; F545-F606 HydrophobicContact CE1-CG 3.63Å; F545-F606 HydrophobicContact CZ-CB 4.12Å; L549-F606 HydrophobicContact CD2-CE1 4.11Å; L549-F606 HydrophobicContact CD2-CE2 3.87Å; L549-F606 HydrophobicContact CD2-CZ 3.34Å; F606-L608 PolarHBondContact O-N 2.87Å; F606-T626 PolarHBondContact N-O 3.4Å; F606-T626 PolarHBondContact O-N 2.86Å; F606-V628 HydrophobicContact CD2-CG2 3.7Å; F606-V628 HydrophobicContact CE2-CG2 3.79Å; F606-I630 HydrophobicContact CE2-CD1 4Å; F606-I630 HydrophobicContact CZ-CD1 4.29Å; F606-T781 PolarHBondContact O-OG1 2.9Å; F606-T782 HydrophobicContact CB-CG2 4.46Å
607G94.5Very high93.2Very high5 Ų518.5 Ų18.55%0.0528%0.081CC..EExtended strand (participates in β ladder)trans56.235.6-176.900000112S541 S543 T781S541-G607 PolarHBondContact O-N 3.1Å; S543-G607 PolarHBondContact O-N 3.26Å; G607-T781 WeakPolarHBondContact O-CB 3.48Å; G607-T781 PolarHBondContact O-OG1 2.96Å
608L95.9Very high93.1Very high0 Ų019.7 Ų19.70%09%0.087CC..EExtended strand (participates in β ladder)trans-70127.4-178-178.357.1000110.8L316 Y378 F540 S541 L593 L605 F606 Y610 A623 T624L316-L608 HydrophobicContact CD2-CD2 3.66Å; Y378-L608 WeakPolarHBondContact CE2-O 3.4Å; F540-L608 HydrophobicContact CB-CD2 4.48Å; F540-L608 HydrophobicContact CD2-CD2 4.34Å; S541-L608 VanDerWaalsContact O-CB 3.32Å; S541-L608 WeakPolarHBondContact O-CB 3.41Å; S541-L608 PolarHBondContact O-N 3.21Å; S541-L608 VanDerWaalsContact O-N 3.14Å; L593-L608 HydrophobicContact CD1-CD1 4.01Å; L593-L608 HydrophobicContact CD1-CD2 4.26Å; L605-L608 HydrophobicContact CD2-CD1 3.97Å; L605-L608 HydrophobicContact CD2-CD2 4.08Å; L605-L608 HydrophobicContact CD2-CG 4.49Å; F606-L608 PolarHBondContact O-N 2.87Å; L608-Y610 HydrophobicContact CD2-CE2 3.94Å; L608-Y610 HydrophobicContact CG-CE2 3.95Å; L608-A623 HydrophobicContact CD1-CB 4.28Å; L608-T624 CarbonylContact C-O 3.31Å; L608-T624 WeakPolarHBondContact CA-O 3.25Å
609R95.1Very high93.2Very high46 Ų4618 Ų1817%0.1748%0.081CC..EExtended strand (participates in β ladder)trans-124.7146.8174-61.5-174.5-178.5-155.8-1.6110.7A623 T624 D1028R609-A623 CarbonylContact O-C 3.49Å; R609-A623 VanDerWaalsContact O-CA 3.28Å; R609-A623 WeakPolarHBondContact O-CA 3.32Å; R609-T624 PolarHBondContact N-O 2.84Å; R609-T624 PolarHBondContact O-N 2.8Å; R609-D1028 WeakPolarHBondContact CD-OD1 3.32Å; R609-D1028 IonicContact CZ-OD1 3.92Å; R609-D1028 IonicContact NE-OD1 3.22Å; R609-D1028 IonicContact NH1-OD1 2.66Å; R609-D1028 PolarHBondContact NH1-OD1 2.65Å; R609-D1028 IonicContact NH1-OD2 3.09Å
610Y94.4Very high93.4Very high16 Ų1618 Ų186%0.0638%0.081CC..EExtended strand (participates in β ladder)trans-115.5139.5173.1-65.7-93.6000109.1L316 Y378 L589 L608 I622 A623L316-Y610 HydrophobicContact CD2-CE2 4.09Å; L316-Y610 WeakPolarHBondContact CD2-OH 3.35Å; Y378-Y610 HydrophobicContact CD2-CD2 4.26Å; Y378-Y610 HydrophobicContact CE2-CD2 4.3Å; Y378-Y610 HydrophobicContact CG-CD2 4.45Å; L589-Y610 HydrophobicContact CD1-CD1 4.22Å; L589-Y610 HydrophobicContact CD1-CE1 4.46Å; L608-Y610 HydrophobicContact CD2-CE2 3.94Å; L608-Y610 HydrophobicContact CG-CE2 3.95Å; Y610-I622 WeakPolarHBondContact CA-O 3.22Å; Y610-A623 HydrophobicContact CD1-CB 3.78Å; Y610-A623 HydrophobicContact CE1-CB 3.82Å
611R94.9Very high93.6Very high33 Ų3317.3 Ų17.313%0.1258%0.078CC..EExtended strand (participates in β ladder)trans-135143.1164.3-57.6-67.7-165.6160.15109.8E365 A621 I622 D1028 Y1029E365-R611 VanDerWaalsContact CD-NH1 3.33Å; E365-R611 IonicContact OE1-CZ 2.77Å; E365-R611 IonicContact OE1-NH1 3.62Å; E365-R611 PolarHBondContact OE1-NH1 3.13Å; E365-R611 IonicContact OE2-CZ 3.09Å; E365-R611 IonicContact OE2-NH1 2.66Å; E365-R611 PolarHBondContact OE2-NH1 3.43Å; R611-A621 WeakPolarHBondContact O-CA 3.45Å; R611-I622 HydrophobicContact CB-CG2 3.78Å; R611-I622 HydrophobicContact CG-CG2 4.5Å; R611-I622 PolarHBondContact N-O 2.84Å; R611-I622 PolarHBondContact O-N 2.98Å; R611-D1028 IonicContact CZ-OD2 3.65Å; R611-D1028 IonicContact NE-OD1 2.84Å; R611-D1028 IonicContact NE-OD2 2.7Å; R611-D1028 IonicContact NH2-OD1 2.71Å; R611-D1028 PolarHBondContact NH2-OD1 2.76Å; R611-D1028 IonicContact NH2-OD2 3.84Å; R611-D1028 PolarHBondContact NH2-OD2 2.86Å; R611-Y1029 VanDerWaalsContact CG-O 3.26Å; R611-Y1029 WeakPolarHBondContact CG-O 3.43Å
612I95Very high93.8Very high12 Ų1216.3 Ų16.36%0.0627%0.073CC..EExtended strand (participates in β ladder)trans-122.6142.8175.5-61.5169.7000107.4K320 T367 I374 L582 V614 I619 A620 A621K320-I612 HydrophobicContact CD-CD1 4.28Å; T367-I612 VanDerWaalsContact CG2-O 3.25Å; T367-I612 WeakPolarHBondContact CG2-O 3.14Å; T367-I612 PolarHBondContact OG1-O 2.97Å; I374-I612 HydrophobicContact CD1-CG2 4.13Å; I374-I612 HydrophobicContact CG2-CD1 4.4Å; L582-I612 HydrophobicContact CD2-CD1 3.78Å; I612-V614 HydrophobicContact CG2-CG2 4.33Å; I612-I619 HydrophobicContact CG2-CD1 4.02Å; I612-I619 HydrophobicContact CG2-CG1 4.18Å; I612-A620 CarbonylContact C-O 3.56Å; I612-A620 WeakPolarHBondContact CA-O 3.33Å; I612-A621 HydrophobicContact CG1-CB 4.06Å
613A94.2Very high93.9Very high4 Ų416.3 Ų16.33%0.0337%0.073CC..EExtended strand (participates in β ladder)trans-131.8139.6169.300000108.5A620 L1031 F1033A613-A620 PolarHBondContact N-O 2.75Å; A613-A620 PolarHBondContact O-N 2.87Å; A613-A620 VanDerWaalsContact O-O 3.13Å; A613-L1031 HydrophobicContact CB-CB 3.59Å; A613-F1033 HydrophobicContact CB-CD2 3.99Å; A613-F1033 HydrophobicContact CB-CE2 4.01Å
614V93.6Very high94.1Very high13 Ų1316.4 Ų16.48%0.0797%0.074CC..EExtended strand (participates in β ladder)trans-121.1131.8178-176.60000107.7Y369 I374 K566 L578 I612 I619 F1033Y369-V614 HydrophobicContact CD1-CG1 3.9Å; Y369-V614 HydrophobicContact CD2-CB 4.35Å; Y369-V614 HydrophobicContact CD2-CG1 4.11Å; Y369-V614 WeakPolarHBondContact CD2-O 3.38Å; Y369-V614 HydrophobicContact CG-CB 4.01Å; Y369-V614 HydrophobicContact CG-CG1 3.68Å; I374-V614 HydrophobicContact CD1-CG2 3.67Å; K566-V614 HydrophobicContact CD-CG1 4.01Å; L578-V614 HydrophobicContact CD1-CG1 4.36Å; L578-V614 HydrophobicContact CD2-CG1 4.09Å; L578-V614 HydrophobicContact CD2-CG2 4.11Å; I612-V614 HydrophobicContact CG2-CG2 4.33Å; V614-I619 HydrophobicContact CG2-CD1 4.01Å; V614-I619 HydrophobicContact CG2-CG1 4.14Å; V614-F1033 VanDerWaalsContact C-CD2 3.43Å
615G90.6Very high94.2Very high4 Ų416.4 Ų16.44%0.0417%0.074CC..  trans-118.7-169.1170.500000110.3M618 F1033G615-M618 PolarHBondContact N-O 2.93Å; G615-F1033 VanDerWaalsContact N-CD2 3.29Å
616E88.3Confident94.2Very high71 Ų7116.4 Ų16.433%0.3327%0.074SC..SBendtrans-67.1-58.8-174.4-41.7-167.2144.600111.1Y369 K566 E1037Y369-E616 WeakPolarHBondContact OH-CA 3.35Å; K566-E616 PolarHBondContact NZ-O 2.85Å; E616-E1037 WeakPolarHBondContact CB-OE1 3.5Å
617Y89.7Confident94.1Very high112 Ų11216.4 Ų16.444%0.4397%0.074SC..SBendtrans-99.2-1.7179.6-50.3-70.7000115.7S565 K566 D568 E1037S565-Y617 CarbonylContact C-O 3.59Å; S565-Y617 WeakPolarHBondContact CA-O 3.43Å; K566-Y617 PolarHBondContact N-O 3.16Å; K566-Y617 CarbonylContact O-C 3.42Å; K566-Y617 WeakPolarHBondContact O-CA 3.25Å; K566-Y617 VanDerWaalsContact O-O 3.07Å; D568-Y617 HydrophobicContact CB-CD1 3.97Å; D568-Y617 HydrophobicContact CB-CE1 3.46Å; D568-Y617 VanDerWaalsContact CB-CE1 3.46Å; Y617-E1037 VanDerWaalsContact CD2-CD 3.45Å; Y617-E1037 WeakPolarHBondContact CD2-OE1 3.16Å; Y617-E1037 WeakPolarHBondContact CD2-OE2 3.27Å; Y617-E1037 WeakPolarHBondContact CE2-OE1 3.17Å; Y617-E1037 WeakPolarHBondContact CE2-OE2 3.23Å
618M91Very high94.1Very high25 Ų2516.2 Ų16.212%0.1237%0.071CC..EExtended strand (participates in β ladder)trans-140.5142.4-170.3-72.2-87.4-103.900112.6C563 R564 G615 L840 F1033C563-M618 VanDerWaalsContact SG-CE 3.5Å; R564-M618 WeakPolarHBondContact O-CA 3.47Å; G615-M618 PolarHBondContact N-O 2.93Å; M618-L840 HydrophobicContact CE-CB 3.53Å; M618-L840 HydrophobicContact CE-CD1 4.1Å; M618-L840 HydrophobicContact CE-CG 4.49Å; M618-F1033 HydrophobicContact CB-CE1 4.06Å; M618-F1033 HydrophobicContact CB-CZ 3.86Å
619I94Very high94Very high0 Ų017 Ų170%07%0.074CC..EExtended strand (participates in β ladder)trans-115.5132.9165.2179.5167.5000109.3I374 C563 R564 L578 I581 I585 I612 V614I374-I619 HydrophobicContact CD1-CD1 4.5Å; C563-I619 CarbonylContact C-O 3.51Å; C563-I619 VanDerWaalsContact CA-O 3.26Å; C563-I619 WeakPolarHBondContact CA-O 3.45Å; C563-I619 PolarHBondContact SG-O 2.94Å; C563-I619 VanDerWaalsContact SG-O 3.38Å; R564-I619 HydrophobicContact CB-CG2 3.83Å; R564-I619 PolarHBondContact N-O 2.93Å; R564-I619 PolarHBondContact O-N 2.84Å; L578-I619 HydrophobicContact CD2-CD1 3.77Å; I581-I619 HydrophobicContact CG2-CG2 4.12Å; I585-I619 HydrophobicContact CD1-CD1 3.62Å; I585-I619 HydrophobicContact CD1-CG1 3.86Å; I585-I619 HydrophobicContact CD1-CG2 3.9Å; I612-I619 HydrophobicContact CG2-CD1 4.02Å; I612-I619 HydrophobicContact CG2-CG1 4.18Å; V614-I619 HydrophobicContact CG2-CD1 4.01Å; V614-I619 HydrophobicContact CG2-CG1 4.14Å
620A94.8Very high93.9Very high0 Ų014.9 Ų14.90%07%0.066CC..EExtended strand (participates in β ladder)trans-124.6133.5-17900000110.3V562 I612 A613 L1001 L1031 F1033 I1039V562-A620 WeakPolarHBondContact O-CA 3.28Å; I612-A620 CarbonylContact C-O 3.56Å; I612-A620 WeakPolarHBondContact CA-O 3.33Å; A613-A620 PolarHBondContact N-O 2.75Å; A613-A620 PolarHBondContact O-N 2.87Å; A613-A620 VanDerWaalsContact O-O 3.13Å; A620-L1001 HydrophobicContact CB-CD2 3.99Å; A620-L1031 HydrophobicContact CB-CD1 4.1Å; A620-F1033 HydrophobicContact CB-CE2 3.94Å; A620-F1033 HydrophobicContact CB-CZ 3.85Å; A620-I1039 HydrophobicContact CB-CD1 3.61Å
621A95.7Very high93.6Very high0 Ų014.7 Ų14.70%07%0.069CC..EExtended strand (participates in β ladder)trans-134.9146.4178.200000111.3R561 V562 I585 L589 R611 I612R561-A621 CarbonylContact C-O 3.44Å; R561-A621 VanDerWaalsContact CA-O 3.28Å; R561-A621 WeakPolarHBondContact CA-O 3.26Å; V562-A621 PolarHBondContact N-O 2.81Å; V562-A621 PolarHBondContact O-N 2.85Å; I585-A621 HydrophobicContact CG2-CB 3.51Å; L589-A621 HydrophobicContact CD1-CB 3.95Å; R611-A621 WeakPolarHBondContact O-CA 3.45Å; I612-A621 HydrophobicContact CG1-CB 4.06Å
622I95.6Very high93.4Very high1 Ų113.3 Ų13.31%0.0057%0.065CC..EExtended strand (participates in β ladder)trans-135.4139.6-179.6-177.4175.7000109.2Q559 A560 Y610 R611 T624 L1005 Y1029 L1031Q559-I622 HydrophobicContact CG-CD1 4.1Å; Q559-I622 HydrophobicContact CG-CG1 4.16Å; A560-I622 WeakPolarHBondContact O-CA 3.42Å; A560-I622 WeakPolarHBondContact O-CG1 3.4Å; Y610-I622 WeakPolarHBondContact CA-O 3.22Å; R611-I622 HydrophobicContact CB-CG2 3.78Å; R611-I622 HydrophobicContact CG-CG2 4.5Å; R611-I622 PolarHBondContact N-O 2.84Å; R611-I622 PolarHBondContact O-N 2.98Å; I622-T624 HydrophobicContact CD1-CG2 3.83Å; I622-T624 HydrophobicContact CG1-CG2 3.93Å; I622-L1005 HydrophobicContact CD1-CD1 4.33Å; I622-L1005 HydrophobicContact CD1-CD2 4.31Å; I622-Y1029 HydrophobicContact CD1-CD1 4.17Å; I622-Y1029 HydrophobicContact CD1-CG 3.94Å; I622-L1031 HydrophobicContact CB-CD1 3.94Å; I622-L1031 HydrophobicContact CG2-CD1 3.6Å; I622-L1031 HydrophobicContact CG2-CG 3.81Å
623A96.4Very high93.3Very high0 Ų012.7 Ų12.70%06%0.062CC..EExtended strand (participates in β ladder)trans-126.9126.3168.700000109.4Q559 A560 L589 L593 L608 R609 Y610Q559-A623 CarbonylContact C-O 3.58Å; Q559-A623 WeakPolarHBondContact CA-O 3.46Å; A560-A623 HydrophobicContact CB-CB 4.41Å; A560-A623 PolarHBondContact N-O 2.69Å; A560-A623 PolarHBondContact O-N 2.78Å; L589-A623 HydrophobicContact CD2-CB 4.15Å; L593-A623 HydrophobicContact CD1-CB 3.98Å; L593-A623 HydrophobicContact CD2-CB 4.38Å; L593-A623 HydrophobicContact CG-CB 4.42Å; L608-A623 HydrophobicContact CD1-CB 4.28Å; R609-A623 CarbonylContact O-C 3.49Å; R609-A623 VanDerWaalsContact O-CA 3.28Å; R609-A623 WeakPolarHBondContact O-CA 3.32Å; Y610-A623 HydrophobicContact CD1-CB 3.78Å; Y610-A623 HydrophobicContact CE1-CB 3.82Å
624T96.6Very high93.1Very high3 Ų314 Ų142%0.0187%0.07CC..EExtended strand (participates in β ladder)trans-129.5131.9-175.244.60000111.2V558 Q559 L608 R609 I622 Y1029V558-T624 WeakPolarHBondContact O-CA 3.39Å; Q559-T624 HydrophobicContact CB-CG2 4.06Å; Q559-T624 HydrophobicContact CG-CG2 3.73Å; L608-T624 CarbonylContact C-O 3.31Å; L608-T624 WeakPolarHBondContact CA-O 3.25Å; R609-T624 PolarHBondContact N-O 2.84Å; R609-T624 PolarHBondContact O-N 2.8Å; I622-T624 HydrophobicContact CD1-CG2 3.83Å; I622-T624 HydrophobicContact CG1-CG2 3.93Å; T624-Y1029 HydrophobicContact CG2-CD2 3.68Å; T624-Y1029 HydrophobicContact CG2-CE2 4.07Å; T624-Y1029 HydrophobicContact CG2-CG 4.31Å
625G95.8Very high92.9Very high0 Ų015.6 Ų15.60%08%0.082CC..EExtended strand (participates in β ladder)trans-154175.1175.100000112.2V558V558-G625 PolarHBondContact N-O 2.98Å; V558-G625 PolarHBondContact O-N 2.84Å
626T95.7Very high92.8Very high0 Ų015.7 Ų15.70%08%0.082CC..EExtended strand (participates in β ladder)trans-100.4107.2180-49.90000109.9F545 P555 A556 L605 F606 T780 T781F545-T626 HydrophobicContact CZ-CG2 3.83Å; P555-T626 HydrophobicContact CB-CG2 3.44Å; P555-T626 VanDerWaalsContact CB-CG2 3.44Å; A556-T626 CarbonylContact O-C 3.47Å; A556-T626 WeakPolarHBondContact O-CA 3.42Å; L605-T626 WeakPolarHBondContact CA-O 3.48Å; F606-T626 PolarHBondContact N-O 3.4Å; F606-T626 PolarHBondContact O-N 2.86Å; T626-T780 HydrophobicContact CG2-CG2 4.09Å; T626-T781 PolarHBondContact N-OG1 2.83Å; T626-T781 PolarHBondContact OG1-N 3.3Å; T626-T781 PolarHBondContact OG1-OG1 2.99Å
627G95Very high92.7Very high0 Ų015 Ų150%08%0.083CC..EExtended strand (participates in β ladder)trans-75.8138.7176.400000112P555 A556 M602 G604P555-G627 WeakPolarHBondContact CA-O 3.48Å; A556-G627 PolarHBondContact N-O 3.08Å; A556-G627 PolarHBondContact O-N 2.89Å; M602-G627 VanDerWaalsContact SD-O 3.41Å; G604-G627 CarbonylContact O-C 3.52Å; G604-G627 WeakPolarHBondContact O-CA 3.45Å
628V93.7Very high92.4Very high1 Ų112.2 Ų12.21%0.0068%0.079CC..EExtended strand (participates in β ladder)trans-145.3161.7-179.5-68.10000111.8F545 I551 P555 M602 N603 G604 F606 I630F545-V628 HydrophobicContact CE1-CG1 3.6Å; F545-V628 HydrophobicContact CE1-CG2 4.12Å; F545-V628 HydrophobicContact CZ-CG1 3.96Å; I551-V628 HydrophobicContact CD1-CG2 4.44Å; I551-V628 HydrophobicContact CG1-CG2 4.44Å; I551-V628 HydrophobicContact CG2-CB 3.86Å; I551-V628 HydrophobicContact CG2-CG1 3.95Å; P555-V628 HydrophobicContact CB-CG1 4.19Å; M602-V628 WeakPolarHBondContact CB-O 3.38Å; N603-V628 PolarHBondContact N-O 3.03Å; G604-V628 PolarHBondContact N-O 3.2Å; G604-V628 PolarHBondContact O-N 3.2Å; F606-V628 HydrophobicContact CD2-CG2 3.7Å; F606-V628 HydrophobicContact CE2-CG2 3.79Å; V628-I630 HydrophobicContact CG2-CG1 4.34Å
629Y94.1Very high92Very high16 Ų1611.5 Ų11.56%0.0638%0.076CC..EExtended strand (participates in β ladder)trans-100.9117.6167.8-171.3-85.7000110.3I551 I552 N601 S635 I677I551-Y629 WeakPolarHBondContact CA-O 3.3Å; I552-Y629 HydrophobicContact CB-CD1 4.05Å; I552-Y629 HydrophobicContact CD1-CD1 4.07Å; I552-Y629 HydrophobicContact CD1-CE1 4.16Å; I552-Y629 HydrophobicContact CG1-CD1 4.39Å; I552-Y629 PolarHBondContact N-O 3.32Å; N601-Y629 WeakPolarHBondContact O-CD2 3.39Å; Y629-S635 PolarHBondContact OH-OG 2.93Å; Y629-I677 HydrophobicContact CD2-CG2 4.03Å; Y629-I677 HydrophobicContact CE2-CG2 4.48Å; Y629-I677 HydrophobicContact CG-CG2 4.15Å
630I92.5Very high91.2Very high1 Ų117.6 Ų17.61%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-93.7120.8175.6-59.8163.7000108.1L539 L549 N603 F606 V628 A632 L633L539-I630 HydrophobicContact CB-CD1 4.16Å; L539-I630 HydrophobicContact CD2-CD1 3.92Å; L549-I630 HydrophobicContact CD1-CG2 3.87Å; L549-I630 HydrophobicContact CD2-CD1 4.39Å; L549-I630 HydrophobicContact CD2-CG1 4.31Å; N603-I630 PolarHBondContact ND2-O 3.08Å; N603-I630 PolarHBondContact OD1-N 2.78Å; F606-I630 HydrophobicContact CE2-CD1 4Å; F606-I630 HydrophobicContact CZ-CD1 4.29Å; V628-I630 HydrophobicContact CG2-CG1 4.34Å; I630-A632 HydrophobicContact CG2-CB 4.2Å; I630-A632 PolarHBondContact O-N 3.12Å; I630-A632 VanDerWaalsContact O-N 3.17Å; I630-L633 HydrophobicContact CB-CB 4.4Å; I630-L633 HydrophobicContact CB-CD1 4.12Å; I630-L633 HydrophobicContact CB-CG 3.97Å; I630-L633 HydrophobicContact CD1-CD1 3.61Å; I630-L633 HydrophobicContact CD1-CG 4.27Å; I630-L633 HydrophobicContact CG1-CD1 4.46Å; I630-L633 HydrophobicContact CG2-CD1 4.43Å; I630-L633 HydrophobicContact CG2-CG 3.9Å; I630-L633 PolarHBondContact O-N 2.8Å
631G89.3Confident90.2Very high12 Ų1218.3 Ų18.312%0.12410%0.103CC..THydrogen-bonded Turntrans-66.8-16.2-175.700000115.4I529 V550I529-G631 WeakPolarHBondContact CG1-O 3.43Å; V550-G631 PolarHBondContact O-N 3.44Å
632A90.3Very high88.8Confident4 Ų423.7 Ų23.73%0.03313%0.13CC..THydrogen-bonded Turntrans-84.7-23.6178.900000114.2C502 C505 C527 A528 I529 I630C502-A632 HydrophobicContact CB-CB 3.96Å; C505-A632 HydrophobicContact CB-CB 3.79Å; C527-A632 WeakPolarHBondContact CA-O 3.37Å; C527-A632 PolarHBondContact SG-O 3.09Å; A528-A632 PolarHBondContact N-O 3.3Å; I529-A632 HydrophobicContact CD1-CB 3.92Å; I630-A632 HydrophobicContact CG2-CB 4.2Å; I630-A632 PolarHBondContact O-N 3.12Å; I630-A632 VanDerWaalsContact O-N 3.17Å
633L92Very high87Confident0 Ų027.1 Ų27.10%015%0.152CC..SBendtrans-88.7159-178.2-60.1-167.4000110.4C505 V535 P536 L539 N603 I630C505-L633 HydrophobicContact CB-CD2 3.85Å; V535-L633 HydrophobicContact CB-CD2 3.73Å; V535-L633 HydrophobicContact CG1-CD2 4.38Å; V535-L633 HydrophobicContact CG2-CD2 4.05Å; P536-L633 HydrophobicContact CG-CD2 4.23Å; P536-L633 WeakPolarHBondContact O-CD2 3.34Å; L539-L633 HydrophobicContact CB-CD1 3.9Å; N603-L633 HydrophobicContact CB-CB 4.4Å; N603-L633 HydrophobicContact CB-CD1 4.49Å; N603-L633 WeakPolarHBondContact ND2-CB 3.37Å; I630-L633 HydrophobicContact CB-CB 4.4Å; I630-L633 HydrophobicContact CB-CD1 4.12Å; I630-L633 HydrophobicContact CB-CG 3.97Å; I630-L633 HydrophobicContact CD1-CD1 3.61Å; I630-L633 HydrophobicContact CD1-CG 4.27Å; I630-L633 HydrophobicContact CG1-CD1 4.46Å; I630-L633 HydrophobicContact CG2-CD1 4.43Å; I630-L633 HydrophobicContact CG2-CG 3.9Å; I630-L633 PolarHBondContact O-N 2.8Å
634P90.5Very high85Confident31 Ų3132.2 Ų32.220%0.20119%0.188CC..PPolyproline II helixtrans-63154.9175.131.8-41.4000111.6S525 D537 N603S525-P634 VanDerWaalsContact OG-CD 3.27Å; S525-P634 WeakPolarHBondContact OG-CD 3.34Å; S525-P634 WeakPolarHBondContact OG-CG 3.41Å; D537-P634 HydrophobicContact CB-CG 4.3Å; N603-P634 PolarHBondContact ND2-O 3.49Å
635S88.7Confident82.5Confident46 Ų4639.4 Ų39.432%0.32223%0.226SC..PPolyproline II helixtrans-65.4133.5165.1-51.90000109.5Y629Y629-S635 PolarHBondContact OH-OG 2.93Å
636P89.1Confident79.7Confident7 Ų748.5 Ų48.55%0.04527%0.268CS..PPolyproline II helixtrans-66.1140.3-178.328.4-35.3000110.8R598R598-P636 HydrophobicContact CG-CB 4.18Å
637P86.1Confident76.9Confident56 Ų5653.7 Ų53.736%0.36431%0.305SS..PPolyproline II helixtrans-66.7139.7172.627.3-32.8000110.6Y682P637-Y682 WeakPolarHBondContact CA-OH 3.44Å
638P83.8Confident74.2Confident54 Ų5458.5 Ų58.535%0.35134%0.338SS..PPolyproline II helixtrans-63.2143.6170.129.2-34.7000109.2R640 L668 Y682P638-R640 PolarHBondContact O-N 3.09Å; P638-L668 HydrophobicContact CB-CD1 3.89Å; P638-Y682 WeakPolarHBondContact CD-OH 3.42Å
639P83.1Confident71.7Confident9 Ų962 Ų626%0.05837%0.367CS..PPolyproline II helixtrans-55.6130.3178.7-24.233.8000111.6R598 L599 P759 L764R598-P639 HydrophobicContact CB-CG 4.23Å; L599-P639 HydrophobicContact CD2-CG 4.01Å; L599-P639 HydrophobicContact CG-CG 4.11Å; P639-P759 HydrophobicContact CB-CG 3.85Å; P639-L764 HydrophobicContact CB-CD1 4.13Å; P639-L764 HydrophobicContact CG-CD1 4.35Å
640R77.5Confident69.9Low129 Ų12965.3 Ų65.349%0.48739%0.385SS..  trans-89.2114.9-178.4-63.8-176.2-178.4-171.32.4108.9P638 I642 E758P638-R640 PolarHBondContact O-N 3.09Å; R640-I642 PolarHBondContact O-N 3.27Å; R640-E758 HydrophobicContact CB-CG 4.24Å; R640-E758 PolarHBondContact N-OE2 3.3Å
641I71.8Confident68.2Low15 Ų1570.4 Ų70.48%0.07742%0.418CS..  trans-72.6111.5169.1-42.8171.7000107.4P643 Y657 L660 R661 I664 I761 L764I641-P643 WeakPolarHBondContact O-CD 3.5Å; I641-Y657 HydrophobicContact CB-CD2 4.19Å; I641-Y657 HydrophobicContact CB-CE2 3.48Å; I641-Y657 VanDerWaalsContact CB-CE2 3.48Å; I641-Y657 HydrophobicContact CD1-CD2 4.43Å; I641-Y657 HydrophobicContact CD1-CE2 4.2Å; I641-Y657 HydrophobicContact CG1-CE2 4.45Å; I641-Y657 HydrophobicContact CG2-CD2 3.66Å; I641-Y657 HydrophobicContact CG2-CE2 3.39Å; I641-Y657 PolarHBondContact O-OH 3.01Å; I641-L660 HydrophobicContact CD1-CB 4.31Å; I641-L660 HydrophobicContact CD1-CD2 4.11Å; I641-L660 HydrophobicContact CD1-CG 3.96Å; I641-R661 HydrophobicContact CD1-CB 4.09Å; I641-I664 HydrophobicContact CD1-CD1 3.7Å; I641-I664 HydrophobicContact CG1-CD1 3.86Å; I641-I761 HydrophobicContact CG2-CD1 4.45Å; I641-I761 HydrophobicContact CG2-CG1 3.92Å; I641-L764 HydrophobicContact CG1-CD2 3.96Å
642I67.6Low66.7Low112 Ų11275.6 Ų75.657%0.57444%0.439SS*.  trans-82.8119.7173.5-57.9176.6000107.7R640 S644 E758R640-I642 PolarHBondContact O-N 3.27Å; I642-S644 PolarHBondContact O-N 2.89Å; I642-E758 HydrophobicContact CD1-CB 4.02Å; I642-E758 HydrophobicContact CG1-CB 4.43Å
643P57.7Low65.2Low73 Ų7380.4 Ų80.447%0.47447%0.465SS..  trans-63.8133.4170.7-16.330.5000109I641 L645 Y657I641-P643 WeakPolarHBondContact O-CD 3.5Å; P643-L645 WeakPolarHBondContact O-CD1 3.29Å; P643-L645 PolarHBondContact O-N 3.39Å; P643-Y657 HydrophobicContact CG-CE2 4.08Å
644S54.5Low64Low108 Ų10888.6 Ų88.676%0.75550%0.495SS*.  trans-66.8103.1176.238.80000110.6I642 Q646I642-S644 PolarHBondContact O-N 2.89Å; S644-Q646 PolarHBondContact O-N 3.44Å
645L43.6Very low63Low154 Ų15490 Ų9081%0.80651%0.505SS*.SBendtrans-70.872.5171.9-85.885.2000110.7P643P643-L645 WeakPolarHBondContact O-CD1 3.29Å; P643-L645 PolarHBondContact O-N 3.39Å
646Q37.9Very low62.2Low191 Ų19189.7 Ų89.789%0.89351%0.51SS*.SBendtrans18070.1157.6-101.3154.93900113S644S644-Q646 PolarHBondContact O-N 3.44Å
647S35.4Very low61.5Low109 Ų10992.2 Ų92.276%0.76252%0.519SS*.SBendtrans-168.2160.3142.2-162.80000110.6A649S647-A649 PolarHBondContact O-N 3.26Å; S647-A649 VanDerWaalsContact O-N 3.15Å
648S39Very low61.1Low100 Ų10094 Ų9470%0.69952%0.522SS*.  trans-51.5115.8170.4159.90000110.4I650S648-I650 PolarHBondContact O-N 3.49Å
649A41.5Very low61Low75 Ų7598.3 Ų98.362%0.6253%0.531SS*.  trans-63.396.8-172.800000112.9S647S647-A649 PolarHBondContact O-N 3.26Å; S647-A649 VanDerWaalsContact O-N 3.15Å
650I55.4Low60.9Low86 Ų8698.9 Ų98.944%0.44153%0.534SS..  trans-68.5135.2169.4-50.4177.4000107.3S648 E652 D653S648-I650 PolarHBondContact O-N 3.49Å; I650-E652 HydrophobicContact CG2-CB 4.27Å; I650-E652 HydrophobicContact CG2-CG 4.31Å; I650-E652 PolarHBondContact O-N 3.31Å; I650-D653 PolarHBondContact O-N 3.11Å
651P58.2Low61.2Low107 Ų10799.5 Ų99.570%0.69554%0.536SS*.Hα-helixtrans-60.5-20.3-178.420.6-32.2000114.3C655P651-C655 PolarHBondContact O-N 3.23Å
652E57.2Low61.9Low121 Ų121105.4 Ų105.457%0.56556%0.558SS**Hα-helixtrans-68.4-41.3177.5-60.1-168.514400112.8I650 R654 C655 G656I650-E652 HydrophobicContact CG2-CB 4.27Å; I650-E652 HydrophobicContact CG2-CG 4.31Å; I650-E652 PolarHBondContact O-N 3.31Å; E652-R654 VanDerWaalsContact C-N 3.35Å; E652-R654 PolarHBondContact O-N 3.37Å; E652-C655 WeakPolarHBondContact O-CB 3.43Å; E652-C655 PolarHBondContact O-N 3.4Å; E652-G656 PolarHBondContact O-N 3Å
653D59Low62.9Low106 Ų106106 Ų10657%0.56755%0.552SS**Hα-helixtrans-66-38.3179.5-66.5-36.8000111.7I650 C655 G656 Y657I650-D653 PolarHBondContact O-N 3.11Å; D653-C655 VanDerWaalsContact C-N 3.32Å; D653-C655 PolarHBondContact O-N 2.92Å; D653-G656 PolarHBondContact O-N 2.71Å; D653-Y657 PolarHBondContact O-N 2.87Å
654R66Low64.3Low171 Ų171102.8 Ų102.865%0.64553%0.531SS*.Hα-helixtrans-63.8-38.4175.8-162.7-176.8-72.7-148.81.1111.3E652 Y657 E658E652-R654 VanDerWaalsContact C-N 3.35Å; E652-R654 PolarHBondContact O-N 3.37Å; R654-Y657 PolarHBondContact O-N 2.89Å; R654-E658 PolarHBondContact O-N 3.15Å; R654-E658 VanDerWaalsContact O-N 3.08Å
655C70Confident66Low61 Ų61101.7 Ų101.741%0.41252%0.517SS..Hα-helixtrans-66-39.9173.3-175.80000112.1P651 E652 D653 E658 R659P651-C655 PolarHBondContact O-N 3.23Å; E652-C655 WeakPolarHBondContact O-CB 3.43Å; E652-C655 PolarHBondContact O-N 3.4Å; D653-C655 VanDerWaalsContact C-N 3.32Å; D653-C655 PolarHBondContact O-N 2.92Å; C655-E658 PolarHBondContact O-N 3.18Å; C655-R659 WeakPolarHBondContact O-CB 3.37Å; C655-R659 PolarHBondContact O-N 2.89Å
656G72.5Confident68.3Low40 Ų4099.7 Ų99.741%0.41251%0.507SS..Hα-helixtrans-58.7-49.6173.400000112.4E652 D653 R659 L660E652-G656 PolarHBondContact O-N 3Å; D653-G656 PolarHBondContact O-N 2.71Å; G656-R659 PolarHBondContact O-N 3.15Å; G656-L660 PolarHBondContact O-N 3.4Å
657Y73.1Confident70.8Confident60 Ų6091.5 Ų91.524%0.23547%0.468CS..Hα-helixtrans-57.1-49.9176.2179.4-84.4000112.3I641 P643 D653 R654 R659 L660 R661I641-Y657 HydrophobicContact CB-CD2 4.19Å; I641-Y657 HydrophobicContact CB-CE2 3.48Å; I641-Y657 VanDerWaalsContact CB-CE2 3.48Å; I641-Y657 HydrophobicContact CD1-CD2 4.43Å; I641-Y657 HydrophobicContact CD1-CE2 4.2Å; I641-Y657 HydrophobicContact CG1-CE2 4.45Å; I641-Y657 HydrophobicContact CG2-CD2 3.66Å; I641-Y657 HydrophobicContact CG2-CE2 3.39Å; I641-Y657 PolarHBondContact O-OH 3.01Å; P643-Y657 HydrophobicContact CG-CE2 4.08Å; D653-Y657 PolarHBondContact O-N 2.87Å; R654-Y657 PolarHBondContact O-N 2.89Å; Y657-R659 VanDerWaalsContact C-N 3.33Å; Y657-R659 PolarHBondContact O-N 2.73Å; Y657-L660 PolarHBondContact O-N 2.96Å; Y657-R661 WeakPolarHBondContact O-CB 3.46Å; Y657-R661 PolarHBondContact O-N 2.97Å
658E78Confident73.4Confident93 Ų9386.9 Ų86.944%0.43544%0.435SS..Hα-helixtrans-64-35.7178.8-76.4-175.9-163.400113.5R654 C655 R662R654-E658 PolarHBondContact O-N 3.15Å; R654-E658 VanDerWaalsContact O-N 3.08Å; C655-E658 PolarHBondContact O-N 3.18Å; E658-R662 WeakPolarHBondContact O-CB 3.25Å; E658-R662 PolarHBondContact O-N 2.99Å; E658-R662 PolarHBondContact O-NE 3.36Å; E658-R662 IonicContact OE2-NH2 3.09Å; E658-R662 PolarHBondContact OE2-NH2 3.43Å; E658-R662 VanDerWaalsContact OE2-NH2 3.13Å
659R81.6Confident75.9Confident145 Ų14587.9 Ų87.955%0.54743%0.427SS..Hα-helixtrans-68.3-39.9176.4-177.5-177.8-75.5169.9-4.7110.9C655 G656 Y657 R663C655-R659 WeakPolarHBondContact O-CB 3.37Å; C655-R659 PolarHBondContact O-N 2.89Å; G656-R659 PolarHBondContact O-N 3.15Å; Y657-R659 VanDerWaalsContact C-N 3.33Å; Y657-R659 PolarHBondContact O-N 2.73Å; R659-R663 WeakPolarHBondContact O-CB 3.32Å; R659-R663 PolarHBondContact O-N 2.84Å; R659-R663 VanDerWaalsContact O-N 3.14Å
660L81.2Confident78.3Confident20 Ų2090 Ų9011%0.10542%0.422CS..Hα-helixtrans-66.1-45.9174.2-17956.9000111.1I641 G656 Y657 R662 R663 I664 I761 L764 L768I641-L660 HydrophobicContact CD1-CB 4.31Å; I641-L660 HydrophobicContact CD1-CD2 4.11Å; I641-L660 HydrophobicContact CD1-CG 3.96Å; G656-L660 PolarHBondContact O-N 3.4Å; Y657-L660 PolarHBondContact O-N 2.96Å; L660-R662 PolarHBondContact O-N 3.3Å; L660-R663 WeakPolarHBondContact O-CA 3.23Å; L660-R663 WeakPolarHBondContact O-CB 3.35Å; L660-R663 PolarHBondContact O-N 3.18Å; L660-R663 VanDerWaalsContact O-N 3.07Å; L660-I664 HydrophobicContact CG-CD1 4.42Å; L660-I664 WeakPolarHBondContact O-CG1 3.45Å; L660-I664 PolarHBondContact O-N 2.94Å; L660-I761 HydrophobicContact CD2-CB 4.32Å; L660-I761 HydrophobicContact CD2-CG1 4.35Å; L660-I761 HydrophobicContact CD2-CG2 3.88Å; L660-L764 HydrophobicContact CD2-CD2 4.26Å; L660-L764 HydrophobicContact CG-CD2 4.47Å; L660-L768 HydrophobicContact CD1-CD1 3.64Å
661R83.9Confident80Confident142 Ų14286 Ų8654%0.53640%0.401SS..Hα-helixtrans-56.5-51177.3-172.2174.1179.1175.43.6112.2I641 Y657 R663 I664 D665I641-R661 HydrophobicContact CD1-CB 4.09Å; Y657-R661 WeakPolarHBondContact O-CB 3.46Å; Y657-R661 PolarHBondContact O-N 2.97Å; R661-R663 VanDerWaalsContact C-N 3.27Å; R661-R663 PolarHBondContact O-N 3.37Å; R661-I664 WeakPolarHBondContact O-CB 3.23Å; R661-I664 PolarHBondContact O-N 2.81Å; R661-D665 PolarHBondContact O-N 2.97Å
662R87.2Confident81.5Confident140 Ų14084 Ų8453%0.52838%0.38SS..Hα-helixtrans-54.9-42.1173.7-82.4177.8-94.4176.6-16.2112.5E658 L660 I664 D665 D666E658-R662 WeakPolarHBondContact O-CB 3.25Å; E658-R662 PolarHBondContact O-N 2.99Å; E658-R662 PolarHBondContact O-NE 3.36Å; E658-R662 IonicContact OE2-NH2 3.09Å; E658-R662 PolarHBondContact OE2-NH2 3.43Å; E658-R662 VanDerWaalsContact OE2-NH2 3.13Å; L660-R662 PolarHBondContact O-N 3.3Å; R662-I664 VanDerWaalsContact C-N 3.31Å; R662-I664 PolarHBondContact O-N 2.82Å; R662-D665 PolarHBondContact O-N 3.14Å; R662-D666 WeakPolarHBondContact O-CB 3.22Å; R662-D666 PolarHBondContact O-N 3.31Å
663R88.3Confident83.1Confident123 Ų12384.7 Ų84.746%0.46438%0.383SS..Hα-helixtrans-65.7-30.7178.4-170.3175.1175.3164-3.4113R659 L660 R661 Y667 L768R659-R663 WeakPolarHBondContact O-CB 3.32Å; R659-R663 PolarHBondContact O-N 2.84Å; R659-R663 VanDerWaalsContact O-N 3.14Å; L660-R663 WeakPolarHBondContact O-CA 3.23Å; L660-R663 WeakPolarHBondContact O-CB 3.35Å; L660-R663 PolarHBondContact O-N 3.18Å; L660-R663 VanDerWaalsContact O-N 3.07Å; R661-R663 VanDerWaalsContact C-N 3.27Å; R661-R663 PolarHBondContact O-N 3.37Å; R663-Y667 VanDerWaalsContact O-CB 3.27Å; R663-Y667 WeakPolarHBondContact O-CB 3.42Å; R663-Y667 PolarHBondContact O-N 3.41Å; R663-L768 HydrophobicContact CG-CD1 4.31Å
664I87.6Confident84.5Confident7 Ų781.2 Ų81.24%0.03636%0.364CS..Hα-helixtrans-70.5-48.5171.2-59.5159.7000110.1L599 I641 L660 R661 R662 D666 Y667 L668 L764 L768L599-I664 HydrophobicContact CD2-CG2 4.15Å; I641-I664 HydrophobicContact CD1-CD1 3.7Å; I641-I664 HydrophobicContact CG1-CD1 3.86Å; L660-I664 HydrophobicContact CG-CD1 4.42Å; L660-I664 WeakPolarHBondContact O-CG1 3.45Å; L660-I664 PolarHBondContact O-N 2.94Å; R661-I664 WeakPolarHBondContact O-CB 3.23Å; R661-I664 PolarHBondContact O-N 2.81Å; R662-I664 VanDerWaalsContact C-N 3.31Å; R662-I664 PolarHBondContact O-N 2.82Å; I664-D666 VanDerWaalsContact C-N 3.34Å; I664-D666 PolarHBondContact O-N 2.9Å; I664-Y667 WeakPolarHBondContact O-CA 3.17Å; I664-Y667 WeakPolarHBondContact O-CB 3.5Å; I664-Y667 PolarHBondContact O-N 3.44Å; I664-L668 HydrophobicContact CG2-CD1 3.8Å; I664-L668 HydrophobicContact CG2-CG 4.18Å; I664-L668 WeakPolarHBondContact O-CG 3.42Å; I664-L668 PolarHBondContact O-N 3.09Å; I664-L764 HydrophobicContact CD1-CD2 3.46Å; I664-L764 VanDerWaalsContact CD1-CD2 3.46Å; I664-L764 HydrophobicContact CD1-CG 4.34Å; I664-L764 HydrophobicContact CG1-CD2 4.14Å; I664-L768 HydrophobicContact CG1-CD1 4Å
665D89.3Confident85.6Confident84 Ų8473.1 Ų73.145%0.44933%0.334SS..Hα-helixtrans-60.6-43.6-177.9-66.2-36.7000111.4R661 R662 Y667 L668 K669R661-D665 PolarHBondContact O-N 2.97Å; R662-D665 PolarHBondContact O-N 3.14Å; D665-Y667 VanDerWaalsContact C-N 3.35Å; D665-Y667 PolarHBondContact O-N 2.77Å; D665-L668 PolarHBondContact O-N 3.14Å; D665-K669 WeakPolarHBondContact O-CB 3.41Å; D665-K669 PolarHBondContact O-N 3.21Å
666D91.3Very high86.4Confident112 Ų11275.5 Ų75.560%0.59933%0.334SS*.Hα-helixtrans-61.8-39.9172.8-75.6-29.4000112.3R662 I664 K670R662-D666 WeakPolarHBondContact O-CB 3.22Å; R662-D666 PolarHBondContact O-N 3.31Å; I664-D666 VanDerWaalsContact C-N 3.34Å; I664-D666 PolarHBondContact O-N 2.9Å; D666-K670 WeakPolarHBondContact O-CB 3.39Å; D666-K670 PolarHBondContact O-N 3.02Å
667Y91.5Very high87Confident20 Ų2074 Ų748%0.07832%0.316CS..Hα-helixtrans-66.8-46.3178.4-164.2-85.8000111.6L599 R600 R663 I664 D665 K670 S671 L768 D770 F772L599-Y667 HydrophobicContact CB-CD1 4.44Å; L599-Y667 HydrophobicContact CB-CE1 4.24Å; R600-Y667 VanDerWaalsContact CZ-OH 3.29Å; R600-Y667 VanDerWaalsContact NH1-CE1 3.33Å; R600-Y667 PolarHBondContact NH1-OH 2.88Å; R600-Y667 PolarHBondContact NH2-OH 2.78Å; R663-Y667 VanDerWaalsContact O-CB 3.27Å; R663-Y667 WeakPolarHBondContact O-CB 3.42Å; R663-Y667 PolarHBondContact O-N 3.41Å; I664-Y667 WeakPolarHBondContact O-CA 3.17Å; I664-Y667 WeakPolarHBondContact O-CB 3.5Å; I664-Y667 PolarHBondContact O-N 3.44Å; D665-Y667 VanDerWaalsContact C-N 3.35Å; D665-Y667 PolarHBondContact O-N 2.77Å; Y667-K670 PolarHBondContact O-N 2.84Å; Y667-S671 WeakPolarHBondContact O-CB 3.48Å; Y667-S671 PolarHBondContact O-N 2.88Å; Y667-L768 HydrophobicContact CD1-CD2 4.13Å; Y667-L768 HydrophobicContact CD2-CD2 3.76Å; Y667-L768 HydrophobicContact CE2-CD2 4.29Å; Y667-L768 HydrophobicContact CG-CD2 3.67Å; Y667-D770 PolarHBondContact OH-O 3.25Å; Y667-F772 HydrophobicContact CD1-CE1 4.49Å; Y667-F772 HydrophobicContact CD1-CE2 4.35Å; Y667-F772 AromaticContact CD1-CZ 3.65Å; Y667-F772 HydrophobicContact CD1-CZ 3.65Å; Y667-F772 AromaticContact CD2-CE2 3.64Å; Y667-F772 HydrophobicContact CD2-CE2 3.64Å; Y667-F772 AromaticContact CD2-CZ 3.81Å; Y667-F772 HydrophobicContact CD2-CZ 3.81Å; Y667-F772 AromaticContact CE1-CE1 3.97Å; Y667-F772 HydrophobicContact CE1-CE1 3.97Å; Y667-F772 HydrophobicContact CE1-CE2 4.18Å; Y667-F772 AromaticContact CE1-CZ 3.44Å; Y667-F772 HydrophobicContact CE1-CZ 3.44Å; Y667-F772 VanDerWaalsContact CE1-CZ 3.44Å; Y667-F772 HydrophobicContact CE2-CD2 4.31Å; Y667-F772 AromaticContact CE2-CE2 3.46Å; Y667-F772 HydrophobicContact CE2-CE2 3.46Å; Y667-F772 VanDerWaalsContact CE2-CE2 3.46Å; Y667-F772 AromaticContact CE2-CZ 3.63Å; Y667-F772 HydrophobicContact CE2-CZ 3.63Å; Y667-F772 HydrophobicContact CG-CE2 4.1Å; Y667-F772 AromaticContact CG-CZ 3.83Å; Y667-F772 HydrophobicContact CG-CZ 3.83Å; Y667-F772 AromaticContact CZ-CE2 3.76Å; Y667-F772 AromaticContact CZ-CZ 3.44Å; Y667-F772 VanDerWaalsContact CZ-CZ 3.44Å
668L90.6Very high87.3Confident12 Ų1273.9 Ų73.96%0.06332%0.323CS..Hα-helixtrans-61.4-44.7176.4-72.4171.3000111.1P638 I664 D665 S671 R672P638-L668 HydrophobicContact CB-CD1 3.89Å; I664-L668 HydrophobicContact CG2-CD1 3.8Å; I664-L668 HydrophobicContact CG2-CG 4.18Å; I664-L668 WeakPolarHBondContact O-CG 3.42Å; I664-L668 PolarHBondContact O-N 3.09Å; D665-L668 PolarHBondContact O-N 3.14Å; L668-S671 WeakPolarHBondContact O-CB 3.41Å; L668-S671 PolarHBondContact O-N 3.45Å; L668-R672 WeakPolarHBondContact O-CG 3.48Å; L668-R672 PolarHBondContact O-N 2.92Å
669K91.2Very high86.9Confident121 Ų12175.1 Ų75.153%0.52633%0.332SS..Hα-helixtrans-60-47.3175.9-175.4175.5-178.2176.30111.8D665 S671 R672 Q673D665-K669 WeakPolarHBondContact O-CB 3.41Å; D665-K669 PolarHBondContact O-N 3.21Å; K669-S671 VanDerWaalsContact C-N 3.33Å; K669-S671 PolarHBondContact O-N 3.14Å; K669-R672 PolarHBondContact O-N 3.21Å; K669-Q673 WeakPolarHBondContact O-CG 3.14Å; K669-Q673 PolarHBondContact O-N 2.93Å; K669-Q673 VanDerWaalsContact O-N 3.17Å
670K91.6Very high85.8Confident120 Ų12074 Ų7452%0.52234%0.335SS..Hα-helixtrans-64.4-37.1176.3-175.7169180172.10112.2D666 Y667 L674 F772D666-K670 WeakPolarHBondContact O-CB 3.39Å; D666-K670 PolarHBondContact O-N 3.02Å; Y667-K670 PolarHBondContact O-N 2.84Å; K670-L674 WeakPolarHBondContact O-CB 3.25Å; K670-L674 PolarHBondContact O-N 3.45Å; K670-F772 HydrophobicContact CB-CE2 4.29Å; K670-F772 HydrophobicContact CB-CZ 4.41Å; K670-F772 HydrophobicContact CD-CD2 3.9Å; K670-F772 HydrophobicContact CD-CE2 3.84Å; K670-F772 HydrophobicContact CG-CD2 4.25Å; K670-F772 HydrophobicContact CG-CE2 4Å; K670-F772 HydrophobicContact CG-CZ 4.38Å
671S91.4Very high83.8Confident0 Ų080.2 Ų80.20%037%0.368CS..Hα-helixtrans-62.5-52.6175.5-164.50000111.2R600 Y667 L668 K669 Q673 L674 Y675R600-S671 VanDerWaalsContact CA-OG 3.3Å; R600-S671 WeakPolarHBondContact CA-OG 3.37Å; R600-S671 PolarHBondContact O-OG 3.38Å; Y667-S671 WeakPolarHBondContact O-CB 3.48Å; Y667-S671 PolarHBondContact O-N 2.88Å; L668-S671 WeakPolarHBondContact O-CB 3.41Å; L668-S671 PolarHBondContact O-N 3.45Å; K669-S671 VanDerWaalsContact C-N 3.33Å; K669-S671 PolarHBondContact O-N 3.14Å; S671-Q673 VanDerWaalsContact C-N 3.28Å; S671-Q673 PolarHBondContact O-N 3.31Å; S671-L674 PolarHBondContact O-N 2.77Å; S671-Y675 WeakPolarHBondContact O-CD2 3.42Å; S671-Y675 PolarHBondContact O-N 2.87Å; S671-Y675 VanDerWaalsContact OG-CD2 3.28Å; S671-Y675 WeakPolarHBondContact OG-CD2 3.15Å; S671-Y675 WeakPolarHBondContact OG-CE2 3.48Å
672R89.4Confident81.7Confident65 Ų6580.6 Ų80.625%0.24537%0.371CS..Hα-helixtrans-57.2-40.7178.9-70.3-163.3-62.7-93.712.5112.5N601 L668 K669 R676 I677 D679N601-R672 HydrophobicContact CB-CG 4.14Å; N601-R672 WeakPolarHBondContact ND2-CD 3.43Å; L668-R672 WeakPolarHBondContact O-CG 3.48Å; L668-R672 PolarHBondContact O-N 2.92Å; K669-R672 PolarHBondContact O-N 3.21Å; R672-R676 WeakPolarHBondContact O-CA 3.31Å; R672-R676 PolarHBondContact O-N 3.42Å; R672-I677 HydrophobicContact CG-CB 4.43Å; R672-I677 PolarHBondContact O-N 3.21Å; R672-D679 IonicContact CZ-OD1 2.95Å; R672-D679 IonicContact NE-OD1 3.64Å; R672-D679 PolarHBondContact NE-OD1 3.01Å; R672-D679 IonicContact NH2-OD1 2.69Å; R672-D679 PolarHBondContact NH2-OD1 3.06Å
673Q89.6Confident78.9Confident136 Ų13680.8 Ų80.864%0.63638%0.378SS*.Hα-helixtrans-64.4-49175.1-71.2177.5-10.900113.1K669 S671 R676K669-Q673 WeakPolarHBondContact O-CG 3.14Å; K669-Q673 PolarHBondContact O-N 2.93Å; K669-Q673 VanDerWaalsContact O-N 3.17Å; S671-Q673 VanDerWaalsContact C-N 3.28Å; S671-Q673 PolarHBondContact O-N 3.31Å; Q673-R676 PolarHBondContact O-N 3.49Å
674L88.9Confident76Confident33 Ų3378.9 Ų78.917%0.17338%0.383CS..Hα-helixtrans-66.1-41.5-177.7-178.862.9000112.3N554 K670 S671 F772 Q773 Q775N554-L674 PolarHBondContact ND2-O 3Å; N554-L674 VanDerWaalsContact ND2-O 3.11Å; K670-L674 WeakPolarHBondContact O-CB 3.25Å; K670-L674 PolarHBondContact O-N 3.45Å; S671-L674 PolarHBondContact O-N 2.77Å; L674-F772 HydrophobicContact CD2-CB 3.77Å; L674-F772 HydrophobicContact CD2-CD1 3.75Å; L674-F772 HydrophobicContact CD2-CG 4.07Å; L674-Q773 HydrophobicContact CD2-CG 4.44Å; L674-Q775 HydrophobicContact CD1-CB 4.34Å
675Y89.1Confident73Confident2 Ų286 Ų861%0.00842%0.421CS..Hα-helixtrans-93.75.3-178.1-55.8-66.7000113.5G553 N554 A556 R600 M602 S671 I677 F772G553-Y675 CarbonylContact C-O 3.53Å; G553-Y675 WeakPolarHBondContact CA-O 3.38Å; N554-Y675 PolarHBondContact N-O 2.87Å; A556-Y675 HydrophobicContact CB-CD1 3.87Å; A556-Y675 HydrophobicContact CB-CE1 3.32Å; A556-Y675 HydrophobicContact CB-CE2 4.26Å; R600-Y675 VanDerWaalsContact CD-CE2 3.41Å; R600-Y675 PolarHBondContact NE-OH 3.49Å; M602-Y675 HydrophobicContact CE-CD1 3.95Å; M602-Y675 HydrophobicContact CE-CD2 4.22Å; M602-Y675 HydrophobicContact CE-CG 3.71Å; S671-Y675 WeakPolarHBondContact O-CD2 3.42Å; S671-Y675 PolarHBondContact O-N 2.87Å; S671-Y675 VanDerWaalsContact OG-CD2 3.28Å; S671-Y675 WeakPolarHBondContact OG-CD2 3.15Å; S671-Y675 WeakPolarHBondContact OG-CE2 3.48Å; Y675-I677 VanDerWaalsContact C-N 3.27Å; Y675-I677 PolarHBondContact O-N 3.02Å; Y675-F772 HydrophobicContact CE2-CD1 4.05Å; Y675-F772 HydrophobicContact CE2-CE1 4.07Å
676R87.5Confident70.2Confident111 Ų11186.7 Ų86.742%0.41943%0.425SS..THydrogen-bonded Turntrans52.341.9177-58.4177176.7-173.9-5.4113.5R672 Q673R672-R676 WeakPolarHBondContact O-CA 3.31Å; R672-R676 PolarHBondContact O-N 3.42Å; Q673-R676 PolarHBondContact O-N 3.49Å
677I85.3Confident67Low8 Ų885.3 Ų85.34%0.04142%0.42CS..  trans-90.4125.1177.2-55.6177.2000107.6N601 M602 Y629 R672 Y675N601-I677 HydrophobicContact CB-CD1 4.47Å; N601-I677 WeakPolarHBondContact O-CD1 3.12Å; M602-I677 HydrophobicContact CE-CD1 4.09Å; M602-I677 HydrophobicContact CG-CD1 3.85Å; Y629-I677 HydrophobicContact CD2-CG2 4.03Å; Y629-I677 HydrophobicContact CE2-CG2 4.48Å; Y629-I677 HydrophobicContact CG-CG2 4.15Å; R672-I677 HydrophobicContact CG-CB 4.43Å; R672-I677 PolarHBondContact O-N 3.21Å; Y675-I677 VanDerWaalsContact C-N 3.27Å; Y675-I677 PolarHBondContact O-N 3.02Å
678P79.9Confident64Low58 Ų5893.5 Ų93.538%0.37746%0.456SS..  trans-55.6143179.8-26.434.4000112.8I552 M680I552-P678 HydrophobicContact CG2-CG 4.01Å; P678-M680 HydrophobicContact CB-CE 4.06Å; P678-M680 PolarHBondContact O-N 2.66Å
679D68.3Low60.9Low118 Ų118101.6 Ų101.663%0.63149%0.494SS*.  trans-69.1100.9161.8-78.2-52.2000107.6R672R672-D679 IonicContact CZ-OD1 2.95Å; R672-D679 IonicContact NE-OD1 3.64Å; R672-D679 PolarHBondContact NE-OD1 3.01Å; R672-D679 IonicContact NH2-OD1 2.69Å; R672-D679 PolarHBondContact NH2-OD1 3.06Å
680M58Low57.6Low121 Ų121101.2 Ų101.260%0.59650%0.497SS*.  trans-85.9122.2168.2-71.5-74.694.800108.7P678 Y682P678-M680 HydrophobicContact CB-CE 4.06Å; P678-M680 PolarHBondContact O-N 2.66Å; M680-Y682 PolarHBondContact O-N 2.93Å
681D40.5Very low54.3Low151 Ų151103.2 Ų103.281%0.80751%0.506SS*.  trans-54.2127.4173-75.7-41.3000109.9Q683D681-Q683 PolarHBondContact O-N 2.67Å
682Y39Very low51.2Low151 Ų151112.7 Ų112.759%0.59255%0.547SS*.  trans-67.683.6172.7-116.3-98.9000108.8P637 P638 M680 S684P637-Y682 WeakPolarHBondContact CA-OH 3.44Å; P638-Y682 WeakPolarHBondContact CD-OH 3.42Å; M680-Y682 PolarHBondContact O-N 2.93Å; Y682-S684 PolarHBondContact O-N 2.93Å
683Q29.5Very low48Very low143 Ų143117.1 Ų117.167%0.66857%0.571SS**  trans-66.481.6171.2-76.8-165.4-20.400109.8D681 N685D681-Q683 PolarHBondContact O-N 2.67Å; Q683-N685 PolarHBondContact O-N 2.91Å
684S26.2Very low44.9Very low83 Ų83117.5 Ų117.558%0.5858%0.576SS**SBend41.537.3128.552.50000118.2Y682 T687Y682-S684 PolarHBondContact O-N 2.93Å; S684-T687 PolarHBondContact O-OG1 3.47Å
685N26Very low41.8Very low157 Ų157122.7 Ų122.784%0.8460%0.604SS**  trans-99.73.1168.5-79.8-25.1000113.8Q683 T687Q683-N685 PolarHBondContact O-N 2.91Å; N685-T687 VanDerWaalsContact C-N 3.34Å
686L29.1Very low38.8Very low99 Ų99129 Ų12952%0.51864%0.643SS.*SBendtrans-79.3-17.1159.9-101.583.2000112.7K688L686-K688 PolarHBondContact O-N 2.73Å
687T25.3Very low35.8Very low82 Ų82131.7 Ų131.750%0.50366%0.662SS.*THydrogen-bonded Turntrans-84.361.5176.1440000112.4S684 N685S684-T687 PolarHBondContact O-OG1 3.47Å; N685-T687 VanDerWaalsContact C-N 3.34Å
688K27.1Very low33Very low192 Ų192137.9 Ų137.984%0.83570%0.695SS**THydrogen-bonded Turntrans-161.1-6.3154.7-117168.2-171.4-179.30117.6L686L686-K688 PolarHBondContact O-N 2.73Å
689H25.3Very low30.3Very low183 Ų183142.2 Ų142.285%0.84772%0.715SS**THydrogen-bonded Turntrans-139.1-5.5172.5-104.7-70000117.4
690D23Very low28.2Very low113 Ų113146.2 Ų146.260%0.60473%0.727SS**  trans-130.673.5167.8-83.7-44000110.4
691K22.8Very low26.6Very low162 Ų162150.3 Ų150.370%0.70474%0.737SS**  trans-104.495158.5-92.8-168169.9-165.60108.2E693K691-E693 PolarHBondContact O-N 3.09Å
692F24.6Very low25.8Very low198 Ų198153 Ų15387%0.86874%0.738SS**  trans-71.8115.6148.6-102.7-89.6000107.1I694F692-I694 PolarHBondContact O-N 2.8Å
693E22.9Very low25Very low159 Ų159151.3 Ų151.374%0.74374%0.743SS**  trans-65.9114.6170.8-72.4174.1152.700109K691K691-E693 PolarHBondContact O-N 3.09Å
694I24.5Very low24.8Very low143 Ų143151.8 Ų151.873%0.73375%0.748SS**  trans-119.584.6155.8-58.8-179.7000105F692 T696F692-I694 PolarHBondContact O-N 2.8Å; I694-T696 PolarHBondContact O-N 3.08Å; I694-T696 VanDerWaalsContact O-N 3.16Å
695D24.7Very low24.6Very low143 Ų143154.2 Ų154.277%0.76576%0.755SS**  trans-68.3107.8172.5-89.2-14.7000109.4
696T24.4Very low24.5Very low134 Ų134153.4 Ų153.482%0.82275%0.751SS**  trans-94.688.6167.311.20000109.9I694I694-T696 PolarHBondContact O-N 3.08Å; I694-T696 VanDerWaalsContact O-N 3.16Å
697M26.1Very low24.3Very low167 Ų167153.9 Ų153.982%0.82376%0.761SS**  trans-100.298.2163.2-95.4-74.3-179.800110.6
698N26.6Very low24.4Very low139 Ų139155.4 Ų155.474%0.74377%0.771SS**  trans64.4131.4155-66.3-31.9000121.6K700N698-K700 PolarHBondContact O-N 3.06Å
699D23.2Very low24.3Very low149 Ų149153.2 Ų153.280%0.79777%0.768SS**  trans-46.3129.2154.6-60.4-62.9000112.9
700K23.9Very low24.4Very low202 Ų202152.4 Ų152.488%0.87876%0.764SS**  -176.1145.5113.2-93.8148.2-168.4171.80112.8N698N698-K700 PolarHBondContact O-N 3.06Å
701Y24.3Very low24.5Very low207 Ų207155.1 Ų155.181%0.81278%0.778SS**  trans-54.7133.6177.8-66.8-108.3000113.3
702Y22.5Very low24.6Very low208 Ų208155.2 Ų155.282%0.81678%0.781SS**  179.1170.297.1-104-77.8000113.4
703T22.6Very low24.7Very low114 Ų114154.7 Ų154.770%0.69978%0.778SS**  trans-53.2145.5-174.143.10000118.9
704I26.6Very low25Very low153 Ų153155.2 Ų155.279%0.78579%0.785SS**  trans11112.8139.2-52.5173.5000116.4
705D22.1Very low25Very low134 Ų134156.3 Ų156.372%0.71779%0.787SS**  -170.6149.3111.2-111.3-31.9000113.3
706N23.3Very low25Very low140 Ų140156.5 Ų156.575%0.74979%0.788SS**  trans40.6106.1155.4-73.9-37.1000120.7
707C24.8Very low25.1Very low109 Ų109159 Ų15974%0.73679%0.79SS**  162135.484.5-107.20000113.6
708T26.5Very low25.1Very low115 Ų115161.2 Ų161.271%0.70680%0.795SS**  trans-15.6120.6144.645.10000116.5
709N25Very low24.9Very low145 Ų145158.9 Ų158.978%0.77579%0.79SS**  170.281.9126.9-84.6-18000111
710H28.2Very low25Very low167 Ų167161 Ų16177%0.77380%0.795SS**  trans-163.14.8151.4-120.6-67000116.6Q712H710-Q712 PolarHBondContact O-N 3.21Å
711L25.6Very low25.1Very low169 Ų169159.9 Ų159.989%0.88580%0.798SS**  trans-77.152164.3-94.4165.9000111.5
712Q25Very low25.3Very low164 Ų164157 Ų15777%0.76680%0.797SS**  trans-147.584168.6-89-170.1-26.600106.8H710H710-Q712 PolarHBondContact O-N 3.21Å
713F25.7Very low25.4Very low187 Ų187153.5 Ų153.582%0.8279%0.79SS**SBendtrans-173.2-7.1153.2-116-73.6000114.7
714I29.1Very low25.5Very low171 Ų171155 Ų15588%0.87779%0.794SS**SBendtrans-125.749.5178.6-42.1-178.1000111.4
715E24.9Very low25.5Very low166 Ų166153.4 Ų153.478%0.77680%0.797SS**SBendtrans-131.910.3168.3-78.7-169.4140.400112.8
716N25Very low25.6Very low147 Ų147155.1 Ų155.179%0.78681%0.806SS**SBendtrans-118.317-169.8-87.4-8.8000115.9
717E26.5Very low25.7Very low187 Ų187152.6 Ų152.687%0.87480%0.804SS**SBendtrans-1217.4-179.1-82.3-104.4118.100114.5
718F25.9Very low25.7Very low213 Ų213154 Ų15493%0.93481%0.809SS**SBendtrans-135.648.5177.7-97.5-80000113.2
719S22.8Very low25.8Very low90 Ų90156.4 Ų156.463%0.62982%0.816SS**  trans-15146.7-179.944.20000114.1
720Q24.4Very low25.7Very low193 Ų193157 Ų15790%0.90282%0.82SS**  trans-137.6101.5155.9-73.2-168.52.200110.6
721L26.7Very low25.5Very low178 Ų178156.6 Ų156.693%0.93282%0.823SS**SBendtrans-178122.9144.9-99.5166.4000108.7
722D27.2Very low25.5Very low148 Ų148155.8 Ų155.879%0.79182%0.819SS**  trans-80.6127.4-163.2-71.4-64000115.9
723I25.6Very low25.5Very low134 Ų134158 Ų15869%0.68783%0.826SS**  21.9101.8118.2-54.4172.8000117
724N24.5Very low25.3Very low146 Ų146158.2 Ų158.278%0.78183%0.83SS**  148.1111123.9-87.8-36.8000114.8
725S27.2Very low25.1Very low119 Ų119154 Ų15483%0.83282%0.815SS**  trans-168.111013157.10000111.3A727S725-A727 PolarHBondContact O-N 3.48Å
726N23.2Very low25Very low170 Ų170152.9 Ų152.991%0.90982%0.82SS**  trans-73.4111.4173.9-76.3-43000111.3
727A25.6Very low25Very low87 Ų87153.9 Ų153.972%0.71982%0.824SS**  trans-158.6138.9156.400000111.7S725S725-A727 PolarHBondContact O-N 3.48Å
728T25.7Very low24.8Very low137 Ų137148.7 Ų148.784%0.8481%0.809SS**  trans73.760.9160.5-24.60000118.6
729I27Very low24.8Very low167 Ų167146.2 Ų146.286%0.85681%0.811SS**  trans-123.786.5147.9-56.9-178.3000109.2
730N24Very low24.8Very low157 Ų157145.1 Ų145.184%0.8480%0.804SS**  trans-151.463.1162.9-111.9-11.1000108.1
731N23.5Very low24.8Very low158 Ų158142.8 Ų142.885%0.84580%0.797SS**  trans-178.587.7163.4-95.1-19.8000109.1
732L25.7Very low24.9Very low152 Ų152142.5 Ų142.580%0.79680%0.796SS**  trans-177.962.8157.5-101.6155.6000110.2
733K24.2Very low24.8Very low212 Ų212142.6 Ų142.692%0.92280%0.795SS**SBendtrans-132.150162.4-89.7-165.8175.4-178.90110.2
734Q22.5Very low24.7Very low191 Ų191145.6 Ų145.689%0.89381%0.806SS**  trans-168.996.2167.1-110.1166.512.900109.1
735S23.9Very low24.9Very low83 Ų83144.3 Ų144.358%0.5881%0.808SS**  trans-161.381.1161.958.80000109L737S735-L737 PolarHBondContact O-N 3.34Å
736T23.9Very low24.8Very low142 Ų142147.1 Ų147.187%0.87181%0.807SS**  trans-56.5112.7153.741.30000107.2S738T736-S738 PolarHBondContact O-N 3Å; T736-S738 VanDerWaalsContact O-N 3.09Å
737L25.1Very low25Very low168 Ų168145.2 Ų145.288%0.8880%0.798SS**  trans-72.9105.9-175.2-151.280.6000109.4S735S735-L737 PolarHBondContact O-N 3.34Å
738S21.7Very low25.1Very low78 Ų78147 Ų14755%0.54580%0.799SS.*  trans-76.9135.8170.346.50000110.2T736 S740T736-S738 PolarHBondContact O-N 3Å; T736-S738 VanDerWaalsContact O-N 3.09Å; S738-S740 PolarHBondContact O-N 3.5Å; S738-S740 PolarHBondContact OG-OG 3.16Å
739T25.6Very low25.5Very low160 Ų160146.4 Ų146.498%0.98279%0.791SS**THydrogen-bonded Turntrans-74.970171.246.10000110.3
740S23.8Very low26.2Very low68 Ų68146.5 Ų146.548%0.47679%0.794SS.*THydrogen-bonded Turntrans-136.4-21-175.351.90000115.3S738S738-S740 PolarHBondContact O-N 3.5Å; S738-S740 PolarHBondContact OG-OG 3.16Å
741D24.2Very low27.1Very low143 Ų143141.5 Ų141.577%0.76577%0.768SS**THydrogen-bonded Turntrans-107.125-159.3-67.320.9000114.2
742L28.3Very low28.2Very low173 Ų173142 Ų14291%0.90677%0.771SS**THydrogen-bonded Turntrans-101.65.7176.6-107.3161.3000114.2
743I26.5Very low29.5Very low149 Ų149141 Ų14176%0.76476%0.76SS**  trans-117.472.8-177.4-48.5178.7000110.5
744H22.9Very low30.8Very low198 Ų198137.6 Ų137.692%0.91775%0.751SS**  trans-162.376.9156.8-101.2-42.9000113.2
745S28.3Very low32.8Very low119 Ų119136.3 Ų136.383%0.83275%0.745SS**  trans-149.4114.8155.161.30000112
746H26.1Very low34.9Very low177 Ų177133.5 Ų133.582%0.81973%0.725SS**  trans-17.1140.5174.6-83.4-87.5000121.9
747N26.5Very low37.7Very low131 Ų131131.5 Ų131.570%0.70170%0.701SS**  trans83.9100.1146-62.6-2.8000119.6
748T27.6Very low40.5Very low124 Ų124125.8 Ų125.876%0.76167%0.67SS**SBendtrans50.479.8138.661.80000117.2
749D34.6Very low43.4Very low125 Ų125122.4 Ų122.467%0.66865%0.646SS**  179.399.9125.1-88.7-14.7000108T751D749-T751 VanDerWaalsContact C-N 3.29Å; D749-T751 PolarHBondContact O-N 3.02Å
750D40.3Very low46Very low169 Ų169119.7 Ų119.790%0.90462%0.622SS**  trans-7576.8-176.3-68.8-38000111.1
751T44.2Very low48.5Very low51 Ų51119.6 Ų119.631%0.31362%0.615SS.*  trans-135.796.9171.8-59.20000109.9D749 F753D749-T751 VanDerWaalsContact C-N 3.29Å; D749-T751 PolarHBondContact O-N 3.02Å; T751-F753 HydrophobicContact CG2-CE1 4.14Å; T751-F753 HydrophobicContact CG2-CE2 4.02Å; T751-F753 HydrophobicContact CG2-CZ 3.75Å
752L46.4Very low51.1Low170 Ų170118.7 Ų118.789%0.8961%0.606SS**  trans-83.7121.6174.6-81.1139.7000110.3
753F53.4Low53.7Low131 Ų131110.7 Ų110.758%0.57557%0.565SS**  trans-90.3117.2175.3-62.7-83.4000110.4V522 T751V522-F753 HydrophobicContact CG2-CD1 4.2Å; V522-F753 HydrophobicContact CG2-CE1 3.98Å; T751-F753 HydrophobicContact CG2-CE1 4.14Å; T751-F753 HydrophobicContact CG2-CE2 4.02Å; T751-F753 HydrophobicContact CG2-CZ 3.75Å
754L51.6Low56.4Low139 Ų139103.6 Ų103.673%0.72853%0.528SS*.  trans-96.7109.3175-78.2162.9000110.1Y587Y587-L754 HydrophobicContact CD2-CD1 4.36Å
755E63.2Low59.2Low164 Ų16496.1 Ų96.177%0.76650%0.501SS*.PPolyproline II helixtrans-79.1126.3171.4-163.6169.5-145.500109.9
756T69.5Low61.8Low25 Ų2592.8 Ų92.815%0.15348%0.475CS..PPolyproline II helixtrans-76.4128.3-176.150.70000111.7Y587 Y591 M594Y587-T756 HydrophobicContact CE2-CG2 4.27Å; Y591-T756 HydrophobicContact CD2-CG2 4.28Å; M594-T756 HydrophobicContact CE-CG2 4.19Å; M594-T756 WeakPolarHBondContact CE-OG1 3.42Å
757R82.5Confident64.6Low100 Ų10084.5 Ų84.538%0.37744%0.437SS..PPolyproline II helixtrans-63.7163.9173.768161176.565.2-5.8113.3Y591 E760 E763Y591-R757 WeakPolarHBondContact CE2-O 3.47Å; Y591-R757 PolarHBondContact OH-NH1 3.08Å; R757-E760 IonicContact CZ-OE1 3.69Å; R757-E760 IonicContact NE-OE1 4Å; R757-E760 PolarHBondContact NE-OE1 3.29Å; R757-E760 IonicContact NH1-OE1 2.69Å; R757-E760 IonicContact NH2-OE1 3.12Å; R757-E760 PolarHBondContact NH2-OE1 3Å; R757-E763 IonicContact CZ-OE1 3Å; R757-E763 IonicContact CZ-OE2 3.65Å; R757-E763 VanDerWaalsContact NH1-CD 3.34Å; R757-E763 IonicContact NH1-OE1 3.67Å; R757-E763 PolarHBondContact NH1-OE1 2.98Å; R757-E763 IonicContact NH1-OE2 3.81Å; R757-E763 PolarHBondContact NH1-OE2 3.12Å; R757-E763 IonicContact NH2-OE1 3.05Å; R757-E763 PolarHBondContact NH2-OE1 2.9Å; R757-E763 IonicContact NH2-OE2 3.13Å
758E83.1Confident67.4Low48 Ų4878.7 Ų78.722%0.22441%0.406CS..PPolyproline II helixtrans-72158.3166.8-73-62.513400111.4R598 R640 I642R598-E758 IonicContact CZ-OE1 3.36Å; R598-E758 IonicContact NH1-OE1 3.49Å; R598-E758 PolarHBondContact NH1-OE1 3.34Å; R598-E758 IonicContact NH1-OE2 3.76Å; R640-E758 HydrophobicContact CB-CG 4.24Å; R640-E758 PolarHBondContact N-OE2 3.3Å; I642-E758 HydrophobicContact CD1-CB 4.02Å; I642-E758 HydrophobicContact CG1-CB 4.43Å
759P82.1Confident70.1Confident6 Ų676.7 Ų76.74%0.03939%0.388CS..PPolyproline II helixtrans-79140.8-174.729.5-31.6000114.1Y591 P639 E763 L764Y591-P759 WeakPolarHBondContact OH-CA 3.25Å; Y591-P759 VanDerWaalsContact OH-CB 3.31Å; Y591-P759 WeakPolarHBondContact OH-CB 3.41Å; P639-P759 HydrophobicContact CB-CG 3.85Å; P759-E763 WeakPolarHBondContact CA-OE2 3.02Å; P759-E763 HydrophobicContact CB-CB 4.41Å; P759-L764 HydrophobicContact CB-CB 4.38Å; P759-L764 HydrophobicContact CB-CD1 4.46Å; P759-L764 HydrophobicContact CG-CD1 4Å; P759-L764 HydrophobicContact CG-CD2 4.46Å
760E80.4Confident72.4Confident103 Ų10371.4 Ų71.448%0.48136%0.36SS..PPolyproline II helixtrans-70.9160.1168-68.4166.2-140.700110.2R757 E762 E763 L764R757-E760 IonicContact CZ-OE1 3.69Å; R757-E760 IonicContact NE-OE1 4Å; R757-E760 PolarHBondContact NE-OE1 3.29Å; R757-E760 IonicContact NH1-OE1 2.69Å; R757-E760 IonicContact NH2-OE1 3.12Å; R757-E760 PolarHBondContact NH2-OE1 3Å; E760-E762 PolarHBondContact O-N 3.47Å; E760-E763 HydrophobicContact CB-CG 4.1Å; E760-E763 PolarHBondContact N-OE2 3.44Å; E760-E763 VanDerWaalsContact N-OE2 3.17Å; E760-E763 PolarHBondContact O-N 3.01Å; E760-L764 WeakPolarHBondContact O-CB 3.2Å; E760-L764 PolarHBondContact O-N 3.4Å
761I77.6Confident74.6Confident66 Ų6664.9 Ų64.934%0.33833%0.326SS..Hα-helixtrans-59.3-39.8-172.8-72.5173.7000110.9I641 L660 A765I641-I761 HydrophobicContact CG2-CD1 4.45Å; I641-I761 HydrophobicContact CG2-CG1 3.92Å; L660-I761 HydrophobicContact CD2-CB 4.32Å; L660-I761 HydrophobicContact CD2-CG1 4.35Å; L660-I761 HydrophobicContact CD2-CG2 3.88Å; I761-A765 WeakPolarHBondContact O-CB 3.11Å; I761-A765 PolarHBondContact O-N 2.89Å
762E77.1Confident76.6Confident124 Ų12464.2 Ų64.258%0.57932%0.319SS*.Hα-helixtrans-67.4-46.1179.5-64.368.7-155.100111.2E760 L764 A765 V766E760-E762 PolarHBondContact O-N 3.47Å; E762-L764 PolarHBondContact O-N 3.44Å; E762-A765 WeakPolarHBondContact O-CB 3.46Å; E762-A765 PolarHBondContact O-N 2.8Å; E762-V766 WeakPolarHBondContact O-CG2 3.33Å; E762-V766 PolarHBondContact O-N 3.09Å
763E83.9Confident78.7Confident6 Ų656.7 Ų56.73%0.02828%0.28CS..Hα-helixtrans-62.1-45.2177.9-57.8-176.2147.900111Y591 R757 P759 E760 A765 V766 L767 F846Y591-E763 PolarHBondContact OH-OE2 2.92Å; R757-E763 IonicContact CZ-OE1 3Å; R757-E763 IonicContact CZ-OE2 3.65Å; R757-E763 VanDerWaalsContact NH1-CD 3.34Å; R757-E763 IonicContact NH1-OE1 3.67Å; R757-E763 PolarHBondContact NH1-OE1 2.98Å; R757-E763 IonicContact NH1-OE2 3.81Å; R757-E763 PolarHBondContact NH1-OE2 3.12Å; R757-E763 IonicContact NH2-OE1 3.05Å; R757-E763 PolarHBondContact NH2-OE1 2.9Å; R757-E763 IonicContact NH2-OE2 3.13Å; P759-E763 WeakPolarHBondContact CA-OE2 3.02Å; P759-E763 HydrophobicContact CB-CB 4.41Å; E760-E763 HydrophobicContact CB-CG 4.1Å; E760-E763 PolarHBondContact N-OE2 3.44Å; E760-E763 VanDerWaalsContact N-OE2 3.17Å; E760-E763 PolarHBondContact O-N 3.01Å; E763-A765 VanDerWaalsContact C-N 3.3Å; E763-A765 PolarHBondContact O-N 2.64Å; E763-V766 WeakPolarHBondContact O-CA 3.27Å; E763-V766 WeakPolarHBondContact O-CB 3.47Å; E763-V766 PolarHBondContact O-N 3.37Å; E763-L767 VanDerWaalsContact O-CG 3.32Å; E763-L767 WeakPolarHBondContact O-CG 3.49Å; E763-L767 PolarHBondContact O-N 2.83Å; E763-F846 HydrophobicContact CB-CD1 4.44Å; E763-F846 HydrophobicContact CB-CE1 3.85Å; E763-F846 HydrophobicContact CB-CE2 4.31Å; E763-F846 HydrophobicContact CB-CZ 3.77Å; E763-F846 HydrophobicContact CG-CD1 3.73Å; E763-F846 HydrophobicContact CG-CD2 4.19Å; E763-F846 HydrophobicContact CG-CE1 3.66Å; E763-F846 HydrophobicContact CG-CE2 4.12Å; E763-F846 HydrophobicContact CG-CG 4.01Å; E763-F846 HydrophobicContact CG-CZ 3.85Å; E763-F846 WeakPolarHBondContact OE1-CD2 3.46Å; E763-F846 WeakPolarHBondContact OE1-CG 3.5Å
764L83.9Confident80.4Confident0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-65.5-36.4179.8-162.559.5000111.3L599 P639 I641 L660 I664 P759 E760 E762 V766 L767 L768L599-L764 HydrophobicContact CD1-CD1 4.23Å; L599-L764 HydrophobicContact CD2-CD1 4.36Å; P639-L764 HydrophobicContact CB-CD1 4.13Å; P639-L764 HydrophobicContact CG-CD1 4.35Å; I641-L764 HydrophobicContact CG1-CD2 3.96Å; L660-L764 HydrophobicContact CD2-CD2 4.26Å; L660-L764 HydrophobicContact CG-CD2 4.47Å; I664-L764 HydrophobicContact CD1-CD2 3.46Å; I664-L764 VanDerWaalsContact CD1-CD2 3.46Å; I664-L764 HydrophobicContact CD1-CG 4.34Å; I664-L764 HydrophobicContact CG1-CD2 4.14Å; P759-L764 HydrophobicContact CB-CB 4.38Å; P759-L764 HydrophobicContact CB-CD1 4.46Å; P759-L764 HydrophobicContact CG-CD1 4Å; P759-L764 HydrophobicContact CG-CD2 4.46Å; E760-L764 WeakPolarHBondContact O-CB 3.2Å; E760-L764 PolarHBondContact O-N 3.4Å; E762-L764 PolarHBondContact O-N 3.44Å; L764-V766 VanDerWaalsContact C-N 3.31Å; L764-V766 PolarHBondContact O-N 3.46Å; L764-L767 HydrophobicContact CD1-CD1 4.41Å; L764-L767 PolarHBondContact O-N 2.92Å; L764-L768 HydrophobicContact CG-CD1 4.38Å; L764-L768 WeakPolarHBondContact O-CB 3.39Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.46Å; L764-L768 PolarHBondContact O-N 2.94Å
765A80.7Confident82Confident41 Ų4153 Ų5334%0.33927%0.265SS..Hα-helixtrans-63.7-32.9171.300000112.9I761 E762 E763 Q769I761-A765 WeakPolarHBondContact O-CB 3.11Å; I761-A765 PolarHBondContact O-N 2.89Å; E762-A765 WeakPolarHBondContact O-CB 3.46Å; E762-A765 PolarHBondContact O-N 2.8Å; E763-A765 VanDerWaalsContact C-N 3.3Å; E763-A765 PolarHBondContact O-N 2.64Å; A765-Q769 WeakPolarHBondContact O-CG 3.43Å; A765-Q769 PolarHBondContact O-NE2 3.2Å
766V83.1Confident83Confident48 Ų4846.3 Ų46.329%0.29124%0.239SC..Hα-helixtrans-72-45.4172.5173.10000111.4E762 E763 L764 L768 Q769E762-V766 WeakPolarHBondContact O-CG2 3.33Å; E762-V766 PolarHBondContact O-N 3.09Å; E763-V766 WeakPolarHBondContact O-CA 3.27Å; E763-V766 WeakPolarHBondContact O-CB 3.47Å; E763-V766 PolarHBondContact O-N 3.37Å; L764-V766 VanDerWaalsContact C-N 3.31Å; L764-V766 PolarHBondContact O-N 3.46Å; V766-L768 VanDerWaalsContact C-N 3.32Å; V766-L768 PolarHBondContact O-N 2.96Å; V766-Q769 WeakPolarHBondContact O-CB 3.39Å; V766-Q769 PolarHBondContact O-N 2.93Å; V766-Q769 VanDerWaalsContact O-N 3.14Å
767L84Confident84Confident4 Ų445.2 Ų45.22%0.02123%0.233CC..Hα-helixtrans-61.2-38.5179.8-67.3171.1000112.4Q595 K596 L599 E763 L764 Q769 D770Q595-L767 HydrophobicContact CB-CD1 3.68Å; Q595-L767 HydrophobicContact CG-CD1 4.41Å; K596-L767 HydrophobicContact CD-CD2 4.36Å; K596-L767 VanDerWaalsContact CE-CD2 3.46Å; K596-L767 HydrophobicContact CG-CD2 3.9Å; L599-L767 HydrophobicContact CD1-CB 3.72Å; L599-L767 HydrophobicContact CD1-CD1 4.44Å; E763-L767 VanDerWaalsContact O-CG 3.32Å; E763-L767 WeakPolarHBondContact O-CG 3.49Å; E763-L767 PolarHBondContact O-N 2.83Å; L764-L767 HydrophobicContact CD1-CD1 4.41Å; L764-L767 PolarHBondContact O-N 2.92Å; L767-Q769 PolarHBondContact O-N 2.82Å; L767-D770 PolarHBondContact O-N 3Å
768L86.2Confident84.3Confident9 Ų941.1 Ų41.15%0.04722%0.218CC..THydrogen-bonded Turntrans-72.4-4.1177.5-71169.3000114.6L599 L660 R663 I664 Y667 L764 V766L599-L768 HydrophobicContact CD1-CD2 4.4Å; L599-L768 HydrophobicContact CD2-CD2 4.04Å; L660-L768 HydrophobicContact CD1-CD1 3.64Å; R663-L768 HydrophobicContact CG-CD1 4.31Å; I664-L768 HydrophobicContact CG1-CD1 4Å; Y667-L768 HydrophobicContact CD1-CD2 4.13Å; Y667-L768 HydrophobicContact CD2-CD2 3.76Å; Y667-L768 HydrophobicContact CE2-CD2 4.29Å; Y667-L768 HydrophobicContact CG-CD2 3.67Å; L764-L768 HydrophobicContact CG-CD1 4.38Å; L764-L768 WeakPolarHBondContact O-CB 3.39Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.46Å; L764-L768 PolarHBondContact O-N 2.94Å; V766-L768 VanDerWaalsContact C-N 3.32Å; V766-L768 PolarHBondContact O-N 2.96Å
769Q85Confident84.7Confident81 Ų8139 Ų3938%0.37921%0.208SC..THydrogen-bonded Turntrans-83.5-11174.2-64.5168.527.600113.3A765 V766 L767 P771 R1006A765-Q769 WeakPolarHBondContact O-CG 3.43Å; A765-Q769 PolarHBondContact O-NE2 3.2Å; V766-Q769 WeakPolarHBondContact O-CB 3.39Å; V766-Q769 PolarHBondContact O-N 2.93Å; V766-Q769 VanDerWaalsContact O-N 3.14Å; L767-Q769 PolarHBondContact O-N 2.82Å; Q769-P771 WeakPolarHBondContact O-CD 3.46Å; Q769-R1006 VanDerWaalsContact O-CD 3.3Å; Q769-R1006 WeakPolarHBondContact O-CD 3.35Å
770D82.9Confident85.2Confident15 Ų1538.7 Ų38.78%0.0821%0.206CC..SBendtrans-70.9122-178.2-80.7-2.2000110.9R561 K596 Y667 L767R561-D770 IonicContact CZ-OD1 3.88Å; R561-D770 VanDerWaalsContact CZ-OD1 3.22Å; R561-D770 IonicContact NH1-OD1 3.21Å; R561-D770 PolarHBondContact NH1-OD1 3.28Å; R561-D770 IonicContact NH1-OD2 2.69Å; R561-D770 PolarHBondContact NH1-OD2 3.28Å; R561-D770 IonicContact NH2-OD1 3.29Å; R561-D770 PolarHBondContact NH2-OD1 3.36Å; K596-D770 VanDerWaalsContact CE-OD2 3.28Å; K596-D770 WeakPolarHBondContact CE-OD2 3.35Å; K596-D770 IonicContact NZ-OD2 3.26Å; K596-D770 PolarHBondContact NZ-OD2 3.17Å; Y667-D770 PolarHBondContact OH-O 3.25Å; L767-D770 PolarHBondContact O-N 3Å
771P85.4Confident85.8Confident31 Ų3134 Ų3420%0.20119%0.185CC..PPolyproline II helixtrans-72.8149.5-172.231.4-36.1000110.9Q769 R1006 Q1010 W1013Q769-P771 WeakPolarHBondContact O-CD 3.46Å; P771-R1006 HydrophobicContact CG-CG 4.08Å; P771-Q1010 HydrophobicContact CB-CG 4.25Å; P771-Q1010 HydrophobicContact CG-CG 3.89Å; P771-W1013 HydrophobicContact CB-CH2 4.31Å; P771-W1013 HydrophobicContact CB-CZ3 3.88Å; P771-W1013 HydrophobicContact CG-CH2 3.82Å; P771-W1013 HydrophobicContact CG-CZ3 3.73Å; P771-W1013 WeakPolarHBondContact O-CH2 3.48Å
772F87.4Confident86.4Confident37 Ų3730.9 Ų30.916%0.16217%0.168CC..PPolyproline II helixtrans-76.7141.5169-70.7-73.8000110.5Y667 K670 L674 Y675 W1013Y667-F772 HydrophobicContact CD1-CE1 4.49Å; Y667-F772 HydrophobicContact CD1-CE2 4.35Å; Y667-F772 AromaticContact CD1-CZ 3.65Å; Y667-F772 HydrophobicContact CD1-CZ 3.65Å; Y667-F772 AromaticContact CD2-CE2 3.64Å; Y667-F772 HydrophobicContact CD2-CE2 3.64Å; Y667-F772 AromaticContact CD2-CZ 3.81Å; Y667-F772 HydrophobicContact CD2-CZ 3.81Å; Y667-F772 AromaticContact CE1-CE1 3.97Å; Y667-F772 HydrophobicContact CE1-CE1 3.97Å; Y667-F772 HydrophobicContact CE1-CE2 4.18Å; Y667-F772 AromaticContact CE1-CZ 3.44Å; Y667-F772 HydrophobicContact CE1-CZ 3.44Å; Y667-F772 VanDerWaalsContact CE1-CZ 3.44Å; Y667-F772 HydrophobicContact CE2-CD2 4.31Å; Y667-F772 AromaticContact CE2-CE2 3.46Å; Y667-F772 HydrophobicContact CE2-CE2 3.46Å; Y667-F772 VanDerWaalsContact CE2-CE2 3.46Å; Y667-F772 AromaticContact CE2-CZ 3.63Å; Y667-F772 HydrophobicContact CE2-CZ 3.63Å; Y667-F772 HydrophobicContact CG-CE2 4.1Å; Y667-F772 AromaticContact CG-CZ 3.83Å; Y667-F772 HydrophobicContact CG-CZ 3.83Å; Y667-F772 AromaticContact CZ-CE2 3.76Å; Y667-F772 AromaticContact CZ-CZ 3.44Å; Y667-F772 VanDerWaalsContact CZ-CZ 3.44Å; K670-F772 HydrophobicContact CB-CE2 4.29Å; K670-F772 HydrophobicContact CB-CZ 4.41Å; K670-F772 HydrophobicContact CD-CD2 3.9Å; K670-F772 HydrophobicContact CD-CE2 3.84Å; K670-F772 HydrophobicContact CG-CD2 4.25Å; K670-F772 HydrophobicContact CG-CE2 4Å; K670-F772 HydrophobicContact CG-CZ 4.38Å; L674-F772 HydrophobicContact CD2-CB 3.77Å; L674-F772 HydrophobicContact CD2-CD1 3.75Å; L674-F772 HydrophobicContact CD2-CG 4.07Å; Y675-F772 HydrophobicContact CE2-CD1 4.05Å; Y675-F772 HydrophobicContact CE2-CE1 4.07Å; F772-W1013 VanDerWaalsContact O-CZ3 3.25Å; F772-W1013 WeakPolarHBondContact O-CZ3 3.48Å
773Q88.7Confident86.5Confident13 Ų1326.8 Ų26.86%0.06115%0.15CC..PPolyproline II helixtrans-61.5146.6171.472.2-159.527.300110.6P555 L674 L777 L779 W1013P555-Q773 PolarHBondContact O-NE2 3.27Å; L674-Q773 HydrophobicContact CD2-CG 4.44Å; Q773-L777 WeakPolarHBondContact CG-O 3.43Å; Q773-L777 PolarHBondContact NE2-O 2.77Å; Q773-L777 VanDerWaalsContact NE2-O 3.16Å; Q773-L779 HydrophobicContact CB-CD1 3.84Å; Q773-L779 HydrophobicContact CB-CG 4.42Å; Q773-W1013 HydrophobicContact CB-CH2 4.44Å; Q773-W1013 HydrophobicContact CB-CZ2 4.42Å
774P89Confident86Confident48 Ų4827.5 Ų27.531%0.31216%0.155SC..PPolyproline II helixtrans-55.9145174.9-26.135.3000112.4G776 L777 W1013 I1020P774-G776 PolarHBondContact O-N 2.87Å; P774-L777 HydrophobicContact CB-CB 4.32Å; P774-L777 HydrophobicContact CG-CD2 4.39Å; P774-L777 WeakPolarHBondContact O-CB 3.49Å; P774-L777 PolarHBondContact O-N 2.61Å; P774-W1013 HydrophobicContact CG-CB 3.95Å; P774-I1020 HydrophobicContact CB-CD1 3.87Å; P774-I1020 HydrophobicContact CG-CD1 4.5Å
775Q86.2Confident85.4Confident145 Ų14530.7 Ų30.768%0.67817%0.172SC*.THydrogen-bonded Turntrans-62.1130.2176.1-171.2173.2-4.300110.1L674 L777L674-Q775 HydrophobicContact CD1-CB 4.34Å; Q775-L777 VanDerWaalsContact C-N 3.33Å
776G84.6Confident84.5Confident23 Ų2329.6 Ų29.624%0.23716%0.161CC..THydrogen-bonded Turntrans85.4-5.1-173.900000115.2P774 P1021 C1022P774-G776 PolarHBondContact O-N 2.87Å; G776-P1021 VanDerWaalsContact O-CA 3.31Å; G776-P1021 WeakPolarHBondContact O-CA 3.23Å; G776-C1022 PolarHBondContact O-N 3.48Å; G776-C1022 VanDerWaalsContact O-N 3.09Å
777L90Very high82.9Confident2 Ų232.5 Ų32.51%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-94.4120.7164-177.164.6000109.2Q773 P774 Q775 L779 W1013 I1020 C1022 I1024Q773-L777 WeakPolarHBondContact CG-O 3.43Å; Q773-L777 PolarHBondContact NE2-O 2.77Å; Q773-L777 VanDerWaalsContact NE2-O 3.16Å; P774-L777 HydrophobicContact CB-CB 4.32Å; P774-L777 HydrophobicContact CG-CD2 4.39Å; P774-L777 WeakPolarHBondContact O-CB 3.49Å; P774-L777 PolarHBondContact O-N 2.61Å; Q775-L777 VanDerWaalsContact C-N 3.33Å; L777-L779 HydrophobicContact CD1-CD2 4.24Å; L777-L779 HydrophobicContact CD2-CD2 3.82Å; L777-L779 HydrophobicContact CD2-CG 4.37Å; L777-L779 HydrophobicContact CG-CD2 3.86Å; L777-L779 HydrophobicContact CG-CG 4.27Å; L777-W1013 HydrophobicContact CD2-CB 3.91Å; L777-W1013 HydrophobicContact CD2-CG 3.82Å; L777-I1020 HydrophobicContact CB-CD1 4.08Å; L777-I1020 HydrophobicContact CB-CG1 4.31Å; L777-C1022 WeakPolarHBondContact CA-O 3.39Å; L777-C1022 WeakPolarHBondContact CD1-SG 3.37Å; L777-I1024 HydrophobicContact CD1-CD1 4.08Å; L777-I1024 HydrophobicContact CD1-CG1 4.18Å
778I89.5Confident81Confident14 Ų1433.1 Ų33.17%0.07218%0.178CC..EExtended strand (participates in β ladder)trans-101.3138.3168.3-63.9-172.6000108.9P555 T780 I809 C1022 I1023 I1024P555-I778 HydrophobicContact CG-CG2 3.84Å; I778-T780 HydrophobicContact CG2-CG2 3.85Å; I778-I809 HydrophobicContact CD1-CD1 3.57Å; I778-I809 HydrophobicContact CD1-CG1 4.38Å; I778-I809 HydrophobicContact CG1-CD1 4.19Å; I778-C1022 PolarHBondContact N-O 3.42Å; I778-I1023 HydrophobicContact CB-CB 4.49Å; I778-I1023 HydrophobicContact CB-CG1 4Å; I778-I1023 HydrophobicContact CB-CG2 4.49Å; I778-I1023 HydrophobicContact CD1-CG1 4.46Å; I778-I1023 HydrophobicContact CG2-CG2 4.43Å; I778-I1023 CarbonylContact O-C 3.22Å; I778-I1023 WeakPolarHBondContact O-CA 3.17Å; I778-I1024 PolarHBondContact O-N 3.1Å
779L91.3Very high78.4Confident2 Ų238.9 Ų38.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-124.6122.9177.8-56.3173.9000108.6L557 Q773 L777 W1013 I1024L557-L779 HydrophobicContact CB-CB 3.72Å; L557-L779 HydrophobicContact CB-CD1 4.08Å; L557-L779 HydrophobicContact CD2-CB 4.45Å; L557-L779 HydrophobicContact CD2-CD1 4.08Å; Q773-L779 HydrophobicContact CB-CD1 3.84Å; Q773-L779 HydrophobicContact CB-CG 4.42Å; L777-L779 HydrophobicContact CD1-CD2 4.24Å; L777-L779 HydrophobicContact CD2-CD2 3.82Å; L777-L779 HydrophobicContact CD2-CG 4.37Å; L777-L779 HydrophobicContact CG-CD2 3.86Å; L777-L779 HydrophobicContact CG-CG 4.27Å; L779-W1013 HydrophobicContact CD1-CZ2 3.73Å; L779-W1013 VanDerWaalsContact CD1-NE1 3.27Å; L779-I1024 HydrophobicContact CD2-CB 3.92Å; L779-I1024 HydrophobicContact CD2-CD1 3.86Å; L779-I1024 HydrophobicContact CD2-CG1 4.22Å
780T92.5Very high75.7Confident0 Ų041.2 Ų41.20%022%0.224CC..  trans-135.8149.8174.882.90000111.7P555 T626 I778 T782 I1024 N1025 A1026 L1027P555-T780 HydrophobicContact CB-CG2 4.36Å; P555-T780 HydrophobicContact CG-CG2 4.02Å; T626-T780 HydrophobicContact CG2-CG2 4.09Å; I778-T780 HydrophobicContact CG2-CG2 3.85Å; T780-T782 WeakPolarHBondContact CB-OG1 3.2Å; T780-T782 PolarHBondContact OG1-O 2.99Å; T780-T782 PolarHBondContact OG1-OG1 2.99Å; T780-I1024 PolarHBondContact N-O 3.01Å; T780-N1025 PolarHBondContact OG1-OD1 3.18Å; T780-A1026 PolarHBondContact O-N 3.44Å; T780-L1027 VanDerWaalsContact O-CB 3.22Å; T780-L1027 WeakPolarHBondContact O-CB 3.12Å; T780-L1027 PolarHBondContact O-N 2.99Å; T780-L1027 VanDerWaalsContact O-N 3.14Å
781T92.7Very high72.9Confident5 Ų546.6 Ų46.63%0.03125%0.253CS..SBendtrans-88.6-13.9169.157.50000112.3L557 F606 G607 T626L557-T781 HydrophobicContact CD1-CG2 3.97Å; F606-T781 PolarHBondContact O-OG1 2.9Å; G607-T781 WeakPolarHBondContact O-CB 3.48Å; G607-T781 PolarHBondContact O-OG1 2.96Å; T626-T781 PolarHBondContact N-OG1 2.83Å; T626-T781 PolarHBondContact OG1-N 3.3Å; T626-T781 PolarHBondContact OG1-OG1 2.99Å
782T89.3Confident70.1Confident0 Ų049.1 Ų49.10%027%0.271CS..SBendtrans-83.3160.6-17855.60000112.5D544 F545 F606 T780 S784 A1026D544-T782 WeakPolarHBondContact OD1-CA 3.08Å; D544-T782 VanDerWaalsContact OD1-CB 3.27Å; D544-T782 WeakPolarHBondContact OD1-CB 3.5Å; D544-T782 WeakPolarHBondContact OD1-CG2 3.33Å; D544-T782 WeakPolarHBondContact OD2-CB 3.26Å; F545-T782 HydrophobicContact CD2-CG2 4.3Å; F545-T782 HydrophobicContact CE2-CG2 3.72Å; F545-T782 WeakPolarHBondContact CE2-OG1 3.47Å; F545-T782 HydrophobicContact CZ-CG2 4.04Å; F606-T782 HydrophobicContact CB-CG2 4.46Å; T780-T782 WeakPolarHBondContact CB-OG1 3.2Å; T780-T782 PolarHBondContact OG1-O 2.99Å; T780-T782 PolarHBondContact OG1-OG1 2.99Å; T782-S784 WeakPolarHBondContact CB-O 3.48Å; T782-S784 PolarHBondContact OG1-O 2.84Å; T782-A1026 PolarHBondContact O-N 2.91Å; T782-A1026 VanDerWaalsContact O-N 3.09Å
783E79.9Confident67.1Low39 Ų3956.1 Ų56.118%0.18231%0.309CS..SBendtrans-76.7-42.4166.4-73.5-175.6-159.600110.4D544 N1025 L1172 S1173D544-E783 PolarHBondContact OD2-N 2.68Å; E783-N1025 PolarHBondContact O-ND2 2.76Å; E783-L1172 WeakPolarHBondContact O-CD2 3.48Å; E783-S1173 WeakPolarHBondContact OE2-CB 3.35Å; E783-S1173 PolarHBondContact OE2-N 2.89Å; E783-S1173 PolarHBondContact OE2-OG 2.9Å
784S72.9Confident64Low21 Ų2162 Ų6215%0.14734%0.339CS..SBendtrans-85.7147.4-177.1610000113D544 T782D544-S784 WeakPolarHBondContact OD2-CB 3.49Å; D544-S784 PolarHBondContact OD2-N 3.29Å; D544-S784 PolarHBondContact OD2-OG 2.97Å; T782-S784 WeakPolarHBondContact CB-O 3.48Å; T782-S784 PolarHBondContact OG1-O 2.84Å
785I72.4Confident60.9Low67 Ų6767 Ų6734%0.34436%0.363SS..PPolyproline II helixtrans-100.4133.7174.3-59168.5000107.5I787 I1023I785-I787 PolarHBondContact O-N 2.93Å; I785-I1023 HydrophobicContact CD1-CD1 3.75Å; I785-I1023 HydrophobicContact CD1-CG2 4.16Å
786P61.1Low58Low17 Ų1767.2 Ų67.211%0.1137%0.369CS..PPolyproline II helixtrans-66.8120.4177.628.1-33.1000110F545 I551 P555 S788F545-P786 HydrophobicContact CD2-CB 4.22Å; F545-P786 HydrophobicContact CE2-CB 4.33Å; F545-P786 HydrophobicContact CE2-CG 4.15Å; F545-P786 HydrophobicContact CG-CB 4.41Å; F545-P786 HydrophobicContact CZ-CG 4.31Å; I551-P786 HydrophobicContact CB-CB 4.15Å; I551-P786 HydrophobicContact CD1-CB 3.65Å; I551-P786 HydrophobicContact CG2-CB 3.89Å; I551-P786 HydrophobicContact CG2-CG 4.38Å; P555-P786 HydrophobicContact CB-CG 4.32Å; P555-P786 HydrophobicContact CG-CG 3.95Å; P786-S788 PolarHBondContact O-N 2.66Å
787I50.9Low55.1Low110 Ų11073.2 Ų73.256%0.56440%0.395SS*.  trans-82.9107.5177.7-55.6174000108.2I785 N789 V807I785-I787 PolarHBondContact O-N 2.93Å; I787-N789 PolarHBondContact O-N 3.38Å; I787-N789 VanDerWaalsContact O-N 3.09Å; I787-V807 HydrophobicContact CG2-CG2 4.24Å
788S43.4Very low52Low16 Ų1680.7 Ų80.711%0.11244%0.436CS..  trans-70.4100.2170.754.30000110.1P786 D790 F808P786-S788 PolarHBondContact O-N 2.66Å; S788-D790 VanDerWaalsContact C-N 3.29Å; S788-D790 PolarHBondContact O-N 2.91Å; S788-F808 WeakPolarHBondContact OG-CE2 3.47Å; S788-F808 VanDerWaalsContact OG-CZ 3.31Å; S788-F808 WeakPolarHBondContact OG-CZ 3.34Å
789N31.7Very low48.8Very low130 Ų13088 Ų8870%0.69547%0.474SS*.  trans-73.781.3170.7-79.8-24.1000110.3I787 N791I787-N789 PolarHBondContact O-N 3.38Å; I787-N789 VanDerWaalsContact O-N 3.09Å; N789-N791 PolarHBondContact O-N 3.3Å
790D28.3Very low45.5Very low131 Ų13193.7 Ų93.770%0.70152%0.515SS*.  trans-72.563.7167.6-80-27.2000111S788 S792S788-D790 VanDerWaalsContact C-N 3.29Å; S788-D790 PolarHBondContact O-N 2.91Å; D790-S792 PolarHBondContact O-N 3.48Å
791N24.4Very low42.2Very low128 Ų128100 Ų10068%0.68455%0.553SS**  trans-87.588.9162.9-84.1-15.4000109N789N789-N791 PolarHBondContact O-N 3.3Å
792S25.2Very low38.9Very low83 Ų83106.8 Ų106.858%0.5859%0.589SS**  trans47.994.6153.161.60000117.9D790 I794D790-S792 PolarHBondContact O-N 3.48Å; S792-I794 PolarHBondContact O-N 2.82Å
793I24.4Very low35.8Very low185 Ų185113.7 Ų113.795%0.94963%0.626SS**  trans-8384.2134.9-59.2177.6000106
794I24.5Very low33.1Very low137 Ų137119.1 Ų119.170%0.70366%0.656SS**  trans-102.7103.5166.3-66171.8000106.8S792S792-I794 PolarHBondContact O-N 2.82Å
795N23.6Very low30.7Very low152 Ų152122.8 Ų122.881%0.81368%0.681SS**  trans-157.775.3151.7-107.22000106.6
796D25.1Very low28.5Very low150 Ų150129.2 Ų129.280%0.80271%0.707SS**SBend-157.7154.2126.2-95-31.9000108.9D798D796-D798 PolarHBondContact O-N 2.98Å
797N24.3Very low26.7Very low148 Ų148133.3 Ų133.379%0.79173%0.732SS**  trans-66.2127.4-164.1-57.5-72.2000112.8
798D24.3Very low25.4Very low160 Ų160131 Ų13186%0.85672%0.718SS**  -166.8150124.5-101.5-27.8000113.1D796 S800D796-D798 PolarHBondContact O-N 2.98Å; D798-S800 PolarHBondContact O-N 2.94Å
799N22.8Very low24.6Very low166 Ų166132.1 Ų132.189%0.88872%0.722SS**  trans-76.6119.8-172.5-72.2-66.7000113.2
800S22.6Very low24.2Very low123 Ų123131.9 Ų131.986%0.8672%0.716SS**  trans-163.4158.6141.551.10000113.2D798D798-S800 PolarHBondContact O-N 2.94Å
801T23.5Very low24Very low131 Ų131130.7 Ų130.780%0.80472%0.718SS**  trans-94.8147.7-163.349.30000115
802L23Very low23.9Very low149 Ų149128.7 Ų128.778%0.7871%0.714SS**  trans51117.5154.6-102.970.6000117
803N24.2Very low23.8Very low145 Ų145130.4 Ų130.478%0.77572%0.716SS**  -177.4150.372.8-97.6-36.4000112.3
804N22.5Very low23.7Very low152 Ų152128 Ų12881%0.81371%0.712SS**  trans-79.9114.7172.1-71.7-16.9000111.8
805S23.6Very low23.6Very low98 Ų98127.2 Ų127.269%0.68571%0.714SS**  trans165.2119.1141.457.70000110.8
806K24.6Very low23.5Very low202 Ų202125.4 Ų125.488%0.87871%0.713SS**  trans-162.4124.4162.3-112.7165-170.1176.90111.6
807V23.9Very low23.3Very low104 Ų104126.7 Ų126.763%0.6372%0.716SS**  trans-105.7148.9157.6176.60000106.9I787I787-V807 HydrophobicContact CG2-CG2 4.24Å
808F24.2Very low23.1Very low62 Ų62127.6 Ų127.627%0.27272%0.721SS.*SBendtrans-60.8157.2-173.4-68.8-165.1000111.4N554 S788N554-F808 WeakPolarHBondContact OD1-CD1 3.5Å; S788-F808 WeakPolarHBondContact OG-CE2 3.47Å; S788-F808 VanDerWaalsContact OG-CZ 3.31Å; S788-F808 WeakPolarHBondContact OG-CZ 3.34Å
809I25.1Very low23.1Very low39 Ų39124.5 Ų124.520%0.271%0.712CS.*  cis-150.2109.232.4-51.8157.2000111.2I778I778-I809 HydrophobicContact CD1-CD1 3.57Å; I778-I809 HydrophobicContact CD1-CG1 4.38Å; I778-I809 HydrophobicContact CG1-CD1 4.19Å
810H24.8Very low23.1Very low124 Ų124125 Ų12557%0.57471%0.714SS**  trans-172.7139.2144-132.6-108.3000113.8
811S24.2Very low23.2Very low106 Ų106125.7 Ų125.774%0.74170%0.704SS**  trans169.374.3132.963.50000111.4
812S22.2Very low23.3Very low87 Ų87125.8 Ų125.861%0.60870%0.704SS**SBendtrans-126.846.5162.563.80000110.9
813I23.2Very low23.6Very low119 Ų119124.4 Ų124.461%0.6169%0.692SS**SBendtrans-140.7122.6161.1-54.3-179.8000105.7V815I813-V815 HydrophobicContact CG2-CG2 4.13Å; I813-V815 PolarHBondContact O-N 2.84Å
814P21.9Very low24Very low133 Ų133121.7 Ų121.786%0.86468%0.677SS**  trans-81.8101.1176.631.7-31000109.8
815V22Very low25Very low122 Ų122119.3 Ų119.374%0.73966%0.657SS**  trans-123.4106.7162.2-176.30000108I813 M817I813-V815 HydrophobicContact CG2-CG2 4.13Å; I813-V815 PolarHBondContact O-N 2.84Å; V815-M817 PolarHBondContact O-N 2.9Å
816S20.9Very low26.3Very low114 Ų114117.7 Ų117.780%0.79764%0.641SS**  trans-69.2113.3171.451.90000110.3
817M21.6Very low28Very low176 Ų176111.6 Ų111.687%0.86761%0.613SS**  trans-155.7131156.9-96.4-86156.700109V815V815-M817 PolarHBondContact O-N 2.9Å
818N20.6Very low30.1Very low168 Ų168111.4 Ų111.490%0.89861%0.605SS**  trans-79.6120.2176.7-73.5-25.8000110.7
819S23.7Very low32.4Very low95 Ų95109.4 Ų109.466%0.66460%0.599SS**  trans-166.1136.2146.748.40000111.8E821S819-E821 PolarHBondContact O-N 3.4Å; S819-E821 VanDerWaalsContact O-N 3.09Å
820N22.9Very low35Very low175 Ų175109.8 Ų109.894%0.93660%0.601SS**  trans-78.684.4175.1-72.4-30.5000110.4
821E23.8Very low37.7Very low139 Ų139105 Ų10565%0.6558%0.582SS**  trans-116.8115166-70.2-168.7164.700110.6S819 F823S819-E821 PolarHBondContact O-N 3.4Å; S819-E821 VanDerWaalsContact O-N 3.09Å; E821-F823 WeakPolarHBondContact O-CD2 3.37Å; E821-F823 PolarHBondContact O-N 3Å; E821-F823 VanDerWaalsContact O-N 3.08Å
822V26.4Very low40.6Very low132 Ų132100.7 Ų100.780%0.855%0.55SS*.  trans-73.197.2169.8178.20000107N824V822-N824 PolarHBondContact O-N 2.83Å; V822-N824 VanDerWaalsContact O-N 3.12Å
823F29.4Very low43.7Very low120 Ų12097.1 Ų97.153%0.52652%0.524SS..  trans-60.3115.7179.9-81.9-89.2000110.9E821 W825E821-F823 WeakPolarHBondContact O-CD2 3.37Å; E821-F823 PolarHBondContact O-N 3Å; E821-F823 VanDerWaalsContact O-N 3.08Å; F823-W825 HydrophobicContact CB-CZ2 4.41Å; F823-W825 PolarHBondContact O-N 3.44Å; F823-W825 PolarHBondContact O-NE1 3.45Å
824N32.3Very low46.7Very low88 Ų8893.9 Ų93.947%0.47150%0.504SS..  trans-77.8101.1169.7-103.1-25.4000109.2V822 N826 N1177V822-N824 PolarHBondContact O-N 2.83Å; V822-N824 VanDerWaalsContact O-N 3.12Å; N824-N826 PolarHBondContact O-N 2.97Å; N824-N1177 PolarHBondContact OD1-ND2 2.66Å; N824-N1177 VanDerWaalsContact OD1-ND2 3.12Å
825W43.4Very low49.9Very low102 Ų10288.3 Ų88.339%0.38647%0.467SS..  trans-78.782.7179.2-57.780.7000110.4F823 Y827 P1050F823-W825 HydrophobicContact CB-CZ2 4.41Å; F823-W825 PolarHBondContact O-N 3.44Å; F823-W825 PolarHBondContact O-NE1 3.45Å; W825-Y827 HydrophobicContact CB-CE2 3.91Å; W825-Y827 VanDerWaalsContact O-CD2 3.25Å; W825-Y827 WeakPolarHBondContact O-CD2 3.47Å; W825-Y827 WeakPolarHBondContact O-CE2 3.35Å; W825-Y827 PolarHBondContact O-N 3.34Å; W825-P1050 HydrophobicContact CE3-CB 3.47Å; W825-P1050 VanDerWaalsContact CE3-CB 3.47Å; W825-P1050 HydrophobicContact CE3-CG 3.52Å; W825-P1050 HydrophobicContact CZ3-CB 3.49Å; W825-P1050 VanDerWaalsContact CZ3-CB 3.49Å; W825-P1050 HydrophobicContact CZ3-CG 3.37Å
826N51.2Low53Low64 Ų6484.5 Ų84.534%0.34244%0.441SS..PPolyproline II helixtrans-66.7125.7160.9-78.3-13.5000108N824 T1051 W1265N824-N826 PolarHBondContact O-N 2.97Å; N826-T1051 VanDerWaalsContact CB-OG1 3.3Å; N826-T1051 WeakPolarHBondContact CB-OG1 3.47Å; N826-T1051 PolarHBondContact O-N 3.35Å; N826-T1051 PolarHBondContact O-OG1 3.06Å; N826-W1265 WeakPolarHBondContact OD1-CZ3 3.39Å
827Y61Low56.2Low75 Ų7581 Ų8129%0.29441%0.412SS..EExtended strand (participates in β ladder)trans-98.3127.9177.7-66.5-82.3000110W825 L1048 H1049W825-Y827 HydrophobicContact CB-CE2 3.91Å; W825-Y827 VanDerWaalsContact O-CD2 3.25Å; W825-Y827 WeakPolarHBondContact O-CD2 3.47Å; W825-Y827 WeakPolarHBondContact O-CE2 3.35Å; W825-Y827 PolarHBondContact O-N 3.34Å; Y827-L1048 HydrophobicContact CD1-CB 4.28Å; Y827-H1049 WeakPolarHBondContact CA-O 3.37Å
828Q67.6Low59.4Low100 Ų10073.6 Ų73.647%0.46738%0.377SS..EExtended strand (participates in β ladder)trans-95120.5166.9175.8176.51.900109.2H1049 T1051Q828-H1049 PolarHBondContact N-O 2.82Å; Q828-H1049 VanDerWaalsContact N-O 3.15Å; Q828-H1049 PolarHBondContact O-N 3.09Å; Q828-H1049 PolarHBondContact O-ND1 3.43Å; Q828-T1051 HydrophobicContact CB-CG2 3.64Å
829S73Confident62.6Low19 Ų1970.7 Ų70.713%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-86.9129.5176.248.20000111.5I1047 L1169S829-I1047 VanDerWaalsContact CA-O 3.32Å; S829-I1047 WeakPolarHBondContact CA-O 3.5Å; S829-L1169 VanDerWaalsContact CB-O 3.27Å; S829-L1169 WeakPolarHBondContact CB-O 3.29Å; S829-L1169 PolarHBondContact OG-O 3.02Å
830N78.6Confident65.6Low47 Ų4767.1 Ų67.125%0.25133%0.331SS..EExtended strand (participates in β ladder)trans-128.1123.2169.9-72-39.8000109.1I1047N830-I1047 PolarHBondContact N-O 3.18Å; N830-I1047 PolarHBondContact O-N 3.48Å
831S81.7Confident68.5Low25 Ų2562.4 Ų62.418%0.17531%0.309CS..EExtended strand (participates in β ladder)trans-69.4153.2169.367.50000111.3M1046 Q1216S831-M1046 WeakPolarHBondContact CA-SD 3.46Å; S831-M1046 WeakPolarHBondContact CB-SD 3.42Å; S831-Q1216 PolarHBondContact OG-NE2 2.82Å; S831-Q1216 PolarHBondContact OG-OE1 3.21Å
832F86.2Confident71.4Confident14 Ų1458.1 Ų58.16%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-132.8150.8158.668.1-84.9000111.3R834 T1012 F1016 I1024 L1027 A1043 T1044 G1045 I1047F832-R834 HydrophobicContact CD2-CB 4.15Å; F832-R834 HydrophobicContact CD2-CG 4.23Å; F832-R834 HydrophobicContact CE2-CB 4.43Å; F832-T1012 HydrophobicContact CE2-CG2 4.33Å; F832-F1016 HydrophobicContact CB-CE1 4.43Å; F832-F1016 HydrophobicContact CB-CE2 4.49Å; F832-F1016 HydrophobicContact CB-CZ 3.68Å; F832-F1016 AromaticContact CD1-CE2 3.9Å; F832-F1016 HydrophobicContact CD1-CE2 3.9Å; F832-F1016 AromaticContact CD1-CZ 3.85Å; F832-F1016 HydrophobicContact CD1-CZ 3.85Å; F832-F1016 HydrophobicContact CD2-CE2 4.03Å; F832-F1016 AromaticContact CD2-CZ 3.97Å; F832-F1016 HydrophobicContact CD2-CZ 3.97Å; F832-F1016 HydrophobicContact CE1-CE2 4.08Å; F832-F1016 HydrophobicContact CE1-CZ 4.49Å; F832-F1016 HydrophobicContact CE2-CE2 4.22Å; F832-F1016 AromaticContact CG-CE2 3.86Å; F832-F1016 HydrophobicContact CG-CE2 3.86Å; F832-F1016 AromaticContact CG-CZ 3.55Å; F832-F1016 HydrophobicContact CG-CZ 3.55Å; F832-F1016 HydrophobicContact CZ-CE2 4.24Å; F832-I1024 HydrophobicContact CE1-CD1 4.31Å; F832-I1024 HydrophobicContact CE1-CG2 3.71Å; F832-I1024 HydrophobicContact CZ-CG2 3.96Å; F832-L1027 HydrophobicContact CE2-CD1 4.48Å; F832-L1027 HydrophobicContact CZ-CD1 3.8Å; F832-A1043 HydrophobicContact CE2-CB 4.5Å; F832-T1044 WeakPolarHBondContact O-CA 3.43Å; F832-G1045 VanDerWaalsContact CD1-O 3.25Å; F832-G1045 WeakPolarHBondContact CD1-O 3.46Å; F832-G1045 VanDerWaalsContact CE1-C 3.46Å; F832-G1045 PolarHBondContact N-O 2.84Å; F832-G1045 PolarHBondContact O-N 2.96Å; F832-I1047 HydrophobicContact CD1-CD1 3.73Å; F832-I1047 HydrophobicContact CD1-CG1 3.84Å; F832-I1047 HydrophobicContact CE1-CD1 4.44Å; F832-I1047 HydrophobicContact CE1-CG1 4.12Å; F832-I1047 HydrophobicContact CG-CD1 4.48Å
833I85.6Confident74.2Confident12 Ų1253.7 Ų53.76%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-116.8133.9157-173.5163.9000107.4V835 I1042 T1044 L1208 L1212 V1239I833-V835 HydrophobicContact CG1-CG2 4.33Å; I833-I1042 HydrophobicContact CD1-CG2 4.01Å; I833-I1042 HydrophobicContact CG1-CG2 3.93Å; I833-T1044 HydrophobicContact CD1-CG2 4.4Å; I833-T1044 HydrophobicContact CG1-CG2 4.24Å; I833-L1208 HydrophobicContact CD1-CB 4.37Å; I833-L1208 HydrophobicContact CD1-CD1 4.43Å; I833-L1208 HydrophobicContact CG2-CB 4.19Å; I833-L1212 HydrophobicContact CB-CD2 4Å; I833-L1212 HydrophobicContact CG2-CB 4.3Å; I833-L1212 HydrophobicContact CG2-CD2 3.76Å; I833-V1239 HydrophobicContact CD1-CG1 3.9Å
834R87.7Confident76.7Confident52 Ų5248.7 Ų48.720%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-128.2122.7178.7-106.6-75.3171.7105.3-10.7107.8F832 F1008 L1011 T1012 I1042 A1043F832-R834 HydrophobicContact CD2-CB 4.15Å; F832-R834 HydrophobicContact CD2-CG 4.23Å; F832-R834 HydrophobicContact CE2-CB 4.43Å; R834-F1008 HydrophobicContact CB-CE2 3.91Å; R834-F1008 HydrophobicContact CB-CZ 3.7Å; R834-L1011 PolarHBondContact NH1-O 3.34Å; R834-T1012 HydrophobicContact CG-CG2 4.46Å; R834-T1012 PolarHBondContact NH1-OG1 3.32Å; R834-T1012 VanDerWaalsContact NH1-OG1 3.1Å; R834-I1042 CarbonylContact O-C 3.57Å; R834-I1042 WeakPolarHBondContact O-CA 3.21Å; R834-A1043 PolarHBondContact N-O 2.86Å; R834-A1043 PolarHBondContact O-N 3.05Å
835V88.2Confident78.9Confident15 Ų1544.5 Ų44.59%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-118.6140176.3-179.70000110.1I833 E837 Q1040 I1041 I1042 I1204 L1208I833-V835 HydrophobicContact CG1-CG2 4.33Å; V835-E837 HydrophobicContact CG1-CG 4.41Å; V835-Q1040 HydrophobicContact CG1-CG 3.64Å; V835-I1041 WeakPolarHBondContact CA-O 3.37Å; V835-I1042 HydrophobicContact CG1-CG1 4.5Å; V835-I1042 HydrophobicContact CG2-CB 4.33Å; V835-I1042 HydrophobicContact CG2-CD1 4.37Å; V835-I1042 HydrophobicContact CG2-CG1 3.89Å; V835-I1042 HydrophobicContact CG2-CG2 4.09Å; V835-I1204 HydrophobicContact CG1-CG2 4.08Å; V835-L1208 HydrophobicContact CB-CD1 4.18Å; V835-L1208 HydrophobicContact CG2-CD1 3.31Å
836H88.4Confident80.3Confident42 Ų4241 Ų4119%0.19421%0.21CC..EExtended strand (participates in β ladder)trans-140.6124.9173.5175.471.2000108.8F1008 I1041H836-F1008 HydrophobicContact CB-CD2 3.41Å; H836-F1008 VanDerWaalsContact CB-CD2 3.41Å; H836-F1008 HydrophobicContact CB-CE2 3.88Å; H836-F1008 HydrophobicContact CB-CG 4.45Å; H836-I1041 PolarHBondContact N-O 3.48Å; H836-I1041 PolarHBondContact O-N 2.88Å
837E86.7Confident81Confident41 Ų4142.1 Ų42.119%0.19221%0.212CC..EExtended strand (participates in β ladder)trans-108.4133178.2-70.6168.7-176.300107.9V835 I1039 Q1040 R1243V835-E837 HydrophobicContact CG1-CG 4.41Å; E837-I1039 WeakPolarHBondContact CA-O 3.48Å; E837-Q1040 HydrophobicContact CG-CB 4.05Å; E837-Q1040 HydrophobicContact CG-CG 3.84Å; E837-Q1040 PolarHBondContact OE1-NE2 3Å; E837-R1243 IonicContact OE2-CZ 2.73Å; E837-R1243 IonicContact OE2-NH1 3.9Å; E837-R1243 PolarHBondContact OE2-NH1 2.89Å
838T88.7Confident80.8Confident21 Ų2140.1 Ų40.113%0.12921%0.205CC..EExtended strand (participates in β ladder)trans-151.6140.3176.4-165.50000111.3L840 A1004 H1038 I1039T838-L840 HydrophobicContact CG2-CD2 4.21Å; T838-L840 PolarHBondContact O-N 2.96Å; T838-A1004 HydrophobicContact CG2-CB 3.58Å; T838-H1038 CarbonylContact O-C 3.59Å; T838-H1038 WeakPolarHBondContact O-CA 3.28Å; T838-I1039 HydrophobicContact CG2-CG2 3.83Å; T838-I1039 PolarHBondContact N-O 3.23Å; T838-I1039 PolarHBondContact O-N 3.46Å
839E88Confident80.1Confident107 Ų10739.4 Ų39.450%0.521%0.208SC..EExtended strand (participates in β ladder)trans-70.7123.4171.4-166.8-173152.700108.9T841 N999 H1038E839-T841 HydrophobicContact CG-CG2 4.23Å; E839-N999 WeakPolarHBondContact O-CB 3.4Å; E839-N999 PolarHBondContact O-ND2 3.35Å; E839-H1038 PolarHBondContact N-CD2 3.36Å
840L86.9Confident78.3Confident20 Ų2041.9 Ų41.911%0.10523%0.225CC..  trans-89.9117.9174.4-65-175.1000109.5M618 T838 N999 L1001 F1033 I1039M618-L840 HydrophobicContact CE-CB 3.53Å; M618-L840 HydrophobicContact CE-CD1 4.1Å; M618-L840 HydrophobicContact CE-CG 4.49Å; T838-L840 HydrophobicContact CG2-CD2 4.21Å; T838-L840 PolarHBondContact O-N 2.96Å; L840-N999 WeakPolarHBondContact CA-O 3.15Å; L840-L1001 HydrophobicContact CD1-CB 4.27Å; L840-L1001 HydrophobicContact CD2-CB 4.41Å; L840-F1033 HydrophobicContact CD1-CE1 4.41Å; L840-I1039 HydrophobicContact CD1-CB 3.9Å; L840-I1039 HydrophobicContact CD1-CD1 4.06Å; L840-I1039 HydrophobicContact CD1-CG2 3.79Å; L840-I1039 HydrophobicContact CD2-CG2 3.82Å; L840-I1039 HydrophobicContact CG-CB 4.04Å; L840-I1039 HydrophobicContact CG-CG2 3.63Å
841T84.7Confident76.1Confident76 Ų7645.5 Ų45.547%0.46624%0.243SC..  trans-109.2-8.6-174.956.80000114.1E839 N999E839-T841 HydrophobicContact CG-CG2 4.23Å; T841-N999 PolarHBondContact N-O 2.92Å; T841-N999 PolarHBondContact OG1-N 2.87Å
842V84.2Confident73.8Confident48 Ų4854 Ų5429%0.29127%0.273SS..SBendtrans-145133.6178.3-175.40000108.9
843P84.1Confident70.9Confident39 Ų3957.3 Ų57.325%0.25330%0.298SS..  trans-66.6159.1174.227.6-34.4000112.4C563 E848C563-P843 WeakPolarHBondContact O-CB 3.34Å; P843-E848 WeakPolarHBondContact CB-OE2 3.43Å; P843-E848 HydrophobicContact CG-CB 4.43Å; P843-E848 WeakPolarHBondContact CG-OE2 3.47Å
844D82.4Confident67.9Low15 Ų1562.4 Ų62.48%0.0833%0.329CS..  trans-96.6-10-178.5-105.146.7000112.5R561 C563 R592 S1000 L1001 G1002R561-D844 IonicContact NE-OD2 2.75Å; C563-D844 HydrophobicContact CB-CB 3.95Å; C563-D844 PolarHBondContact O-N 2.99Å; R592-D844 IonicContact NH1-OD2 2.68Å; R592-D844 PolarHBondContact NH2-O 2.96Å; D844-S1000 WeakPolarHBondContact OD1-CA 3.34Å; D844-S1000 WeakPolarHBondContact OD1-CB 3.39Å; D844-S1000 PolarHBondContact OD1-OG 2.59Å; D844-L1001 PolarHBondContact OD1-N 2.83Å; D844-G1002 PolarHBondContact OD1-N 3.25Å; D844-G1002 WeakPolarHBondContact OD2-CA 3.24Å; D844-G1002 PolarHBondContact OD2-N 3.12Å
845S77.9Confident64.9Low0 Ų067.5 Ų67.50%036%0.361CS..  trans-68.7129.4-169.41720000113.7C563 R564 E588 F847 E848 T849C563-S845 WeakPolarHBondContact O-CB 3.4Å; C563-S845 PolarHBondContact O-N 2.83Å; R564-S845 VanDerWaalsContact CZ-OG 3.29Å; R564-S845 PolarHBondContact NE-OG 3.1Å; R564-S845 PolarHBondContact NH2-OG 3.13Å; E588-S845 WeakPolarHBondContact OE1-CA 3.35Å; S845-F847 PolarHBondContact O-N 3.25Å; S845-F847 PolarHBondContact OG-N 3.09Å; S845-E848 PolarHBondContact O-N 3.16Å; S845-E848 PolarHBondContact OG-N 3.24Å; S845-T849 PolarHBondContact O-N 3.23Å; S845-T849 VanDerWaalsContact O-N 3.13Å; S845-T849 PolarHBondContact O-OG1 3.48Å
846F74.3Confident61.9Low30 Ų3077 Ų7713%0.13240%0.396CS..Hα-helixtrans-61.9-32.5173.8-61.1-43.9000111.9E588 Y591 R592 E763 E848E588-F846 HydrophobicContact CG-CD2 4.11Å; E588-F846 VanDerWaalsContact OE1-CD2 3.27Å; E588-F846 WeakPolarHBondContact OE1-CD2 3.26Å; E588-F846 WeakPolarHBondContact OE1-CG 3.46Å; E588-F846 PolarHBondContact OE1-N 2.77Å; Y591-F846 HydrophobicContact CD1-CD2 4.4Å; Y591-F846 HydrophobicContact CD1-CE2 4.09Å; Y591-F846 HydrophobicContact CE1-CD2 4.17Å; Y591-F846 AromaticContact CE1-CE2 3.81Å; Y591-F846 HydrophobicContact CE1-CE2 3.81Å; R592-F846 HydrophobicContact CG-CE2 4Å; R592-F846 HydrophobicContact CG-CZ 4.5Å; R592-F846 VanDerWaalsContact NE-CE2 3.3Å; R592-F846 VanDerWaalsContact NH2-CE1 3.3Å; R592-F846 VanDerWaalsContact NH2-CZ 3.3Å; E763-F846 HydrophobicContact CB-CD1 4.44Å; E763-F846 HydrophobicContact CB-CE1 3.85Å; E763-F846 HydrophobicContact CB-CE2 4.31Å; E763-F846 HydrophobicContact CB-CZ 3.77Å; E763-F846 HydrophobicContact CG-CD1 3.73Å; E763-F846 HydrophobicContact CG-CD2 4.19Å; E763-F846 HydrophobicContact CG-CE1 3.66Å; E763-F846 HydrophobicContact CG-CE2 4.12Å; E763-F846 HydrophobicContact CG-CG 4.01Å; E763-F846 HydrophobicContact CG-CZ 3.85Å; E763-F846 WeakPolarHBondContact OE1-CD2 3.46Å; E763-F846 WeakPolarHBondContact OE1-CG 3.5Å; F846-E848 VanDerWaalsContact C-N 3.35Å; F846-E848 PolarHBondContact O-N 2.84Å
847F65.3Low58.9Low86 Ų8682.2 Ų82.238%0.37743%0.426SS..Hα-helixtrans-77-18-177.1-62.9-102000113.9F584 Y587 E588 S845 S850F584-F847 HydrophobicContact CD1-CE1 4.49Å; Y587-F847 HydrophobicContact CD1-CE2 4.3Å; Y587-F847 AromaticContact CD1-CZ 3.92Å; Y587-F847 HydrophobicContact CD1-CZ 3.92Å; Y587-F847 HydrophobicContact CE1-CZ 4.01Å; E588-F847 HydrophobicContact CB-CE2 4.31Å; E588-F847 HydrophobicContact CG-CE2 4.48Å; S845-F847 PolarHBondContact O-N 3.25Å; S845-F847 PolarHBondContact OG-N 3.09Å; F847-S850 PolarHBondContact O-OG 2.78Å
848E57.7Low56Low33 Ų3386.1 Ų86.115%0.15445%0.453CS..Hα-helixtrans-96.8-30.4174.3-66178.5145.400111.6R564 S565 P843 S845 F846 S850 I851R564-E848 VanDerWaalsContact CA-OE2 3.29Å; R564-E848 WeakPolarHBondContact CA-OE2 3.26Å; S565-E848 WeakPolarHBondContact CB-OE1 3.29Å; S565-E848 PolarHBondContact N-OE1 2.87Å; S565-E848 PolarHBondContact N-OE2 2.86Å; S565-E848 PolarHBondContact OG-OE1 3.38Å; P843-E848 WeakPolarHBondContact CB-OE2 3.43Å; P843-E848 HydrophobicContact CG-CB 4.43Å; P843-E848 WeakPolarHBondContact CG-OE2 3.47Å; S845-E848 PolarHBondContact O-N 3.16Å; S845-E848 PolarHBondContact OG-N 3.24Å; F846-E848 VanDerWaalsContact C-N 3.35Å; F846-E848 PolarHBondContact O-N 2.84Å; E848-S850 VanDerWaalsContact C-N 3.31Å; E848-S850 PolarHBondContact O-N 2.91Å; E848-I851 PolarHBondContact O-N 3.37Å
849T52.2Low53Low85 Ų8589.3 Ų89.352%0.52147%0.472SS..Hα-helixtrans-65.9-33.7-178.4-53.40000112.2S845 I851 Y852S845-T849 PolarHBondContact O-N 3.23Å; S845-T849 VanDerWaalsContact O-N 3.13Å; S845-T849 PolarHBondContact O-OG1 3.48Å; T849-I851 VanDerWaalsContact C-N 3.26Å; T849-I851 PolarHBondContact O-N 2.81Å; T849-Y852 PolarHBondContact O-N 2.69Å
850S34.9Very low50.1Low71 Ų7189 Ų8950%0.49748%0.48SS..G310 helixtrans-68.5-17.1179.956.20000114.8F847 E848 Y852 S853F847-S850 PolarHBondContact O-OG 2.78Å; E848-S850 VanDerWaalsContact C-N 3.31Å; E848-S850 PolarHBondContact O-N 2.91Å; S850-Y852 VanDerWaalsContact C-N 3.28Å; S850-Y852 PolarHBondContact O-N 2.86Å; S850-S853 PolarHBondContact O-OG 3.45Å; S850-S853 VanDerWaalsContact O-OG 3.09Å
851I32.5Very low47.2Very low124 Ų12494.1 Ų94.164%0.63651%0.511SS*.G310 helixtrans-77-16.6-178-60178.7000111.8E848 T849E848-I851 PolarHBondContact O-N 3.37Å; T849-I851 VanDerWaalsContact C-N 3.26Å; T849-I851 PolarHBondContact O-N 2.81Å
852Y32.5Very low44.3Very low204 Ų20497.6 Ų97.680%0.852%0.52SS*.G310 helixtrans-101.2-3.4179.8-70.3-75.2000114.9T849 S850 T854T849-Y852 PolarHBondContact O-N 2.69Å; S850-Y852 VanDerWaalsContact C-N 3.28Å; S850-Y852 PolarHBondContact O-N 2.86Å; Y852-T854 PolarHBondContact O-N 3.43Å
853S25.6Very low41.4Very low82 Ų82100.6 Ų100.657%0.57354%0.539SS*.  trans-91.756.2-177.255.70000114.1S850S850-S853 PolarHBondContact O-OG 3.45Å; S850-S853 VanDerWaalsContact O-OG 3.09Å
854T23.1Very low38.5Very low119 Ų119103.7 Ų103.773%0.7356%0.559SS**  trans-111.174.6163.560.70000111.1Y852Y852-T854 PolarHBondContact O-N 3.43Å
855N24.9Very low35.8Very low160 Ų160108.9 Ų108.986%0.85659%0.591SS**  trans-177.594.2147.3-93.7-29.9000110.2N857N855-N857 PolarHBondContact O-N 3.24Å
856Y25.5Very low33.2Very low214 Ų214118.6 Ų118.684%0.83963%0.629SS**  trans-65.6110.9162.9-76-89.1000109
857N24.2Very low30.8Very low151 Ų151127.7 Ų127.781%0.80766%0.664SS**  trans168.174.6149.1-87.5-23.6000110.4N855N855-N857 PolarHBondContact O-N 3.24Å
858T26.1Very low28.8Very low124 Ų124132.4 Ų132.476%0.76169%0.685SS**  trans-166.9108.11531.90000110.9P860T858-P860 WeakPolarHBondContact O-CD 3.29Å
859T26.6Very low27.1Very low87 Ų87140.2 Ų140.253%0.53472%0.721SS.*  trans-69.9123.2173.747.80000111.5V861T859-V861 PolarHBondContact O-N 2.81Å
860P27.4Very low25.9Very low102 Ų102141.2 Ų141.266%0.66273%0.732SS**  trans-79.3110.7172.630.4-31.6000110.5T858 F862T858-P860 WeakPolarHBondContact O-CD 3.29Å; P860-F862 PolarHBondContact O-N 3.07Å
861V24.6Very low25.3Very low126 Ų126145.2 Ų145.276%0.76475%0.747SS**  trans-69.698.2171.41790000109.3T859 T863T859-V861 PolarHBondContact O-N 2.81Å; V861-T863 PolarHBondContact O-N 2.98Å; V861-T863 VanDerWaalsContact O-N 3.08Å
862F25.5Very low25Very low150 Ų150148.3 Ų148.366%0.65876%0.759SS**  trans-66.9101.4166.8-90.2-86.1000110.4P860P860-F862 PolarHBondContact O-N 3.07Å
863T23.3Very low24.6Very low110 Ų110145.8 Ų145.868%0.67576%0.758SS**  trans-78.112916142.50000109.7V861 T865V861-T863 PolarHBondContact O-N 2.98Å; V861-T863 VanDerWaalsContact O-N 3.08Å; T863-T865 PolarHBondContact O-N 2.91Å
864P23.2Very low24.6Very low104 Ų104149.5 Ų149.568%0.67577%0.771SS**  trans-77.9110173.730.2-31.2000109.3Y866P864-Y866 VanDerWaalsContact C-N 3.32Å; P864-Y866 PolarHBondContact O-N 2.9Å
865T23.6Very low24.6Very low124 Ų124148.2 Ų148.276%0.76176%0.76SS**  trans-7091166.636.60000109.7T863 Y867T863-T865 PolarHBondContact O-N 2.91Å; T865-Y867 PolarHBondContact O-N 2.84Å
866Y23.6Very low24.7Very low205 Ų205146.7 Ų146.780%0.80476%0.756SS**  trans-57.4105.6164.8-92.9-92.8000109.4P864 K868P864-Y866 VanDerWaalsContact C-N 3.32Å; P864-Y866 PolarHBondContact O-N 2.9Å; Y866-K868 PolarHBondContact O-N 2.96Å
867Y24Very low24.5Very low220 Ų220142.9 Ų142.986%0.86376%0.756SS**  trans-67.699.6156.8-94.2-87.4000107.9T865 E869T865-Y867 PolarHBondContact O-N 2.84Å; Y867-E869 PolarHBondContact O-N 2.85Å
868K23.8Very low24.7Very low186 Ų186142.9 Ų142.981%0.80975%0.754SS**  trans-68.4119.5161.1-102.2-176.9173.5179.90108Y866 S870Y866-K868 PolarHBondContact O-N 2.96Å; K868-S870 PolarHBondContact O-N 3.39Å
869E22Very low24.5Very low196 Ų196143.7 Ų143.792%0.91676%0.758SS**  trans-62.9118158.5-68.2-179.4136.800108.3Y867Y867-E869 PolarHBondContact O-N 2.85Å
870S26.3Very low24.5Very low107 Ų107145.1 Ų145.175%0.74877%0.767SS**  trans-132.496.616658.20000108.4K868 H872K868-S870 PolarHBondContact O-N 3.39Å; S870-H872 PolarHBondContact O-N 3.08Å
871N23.2Very low24.2Very low154 Ų154145 Ų14582%0.82477%0.769SS**  trans-56118.4168.1-76.5-47.7000109.8
872H27Very low24.4Very low189 Ų189147.5 Ų147.588%0.87578%0.777SS**  trans-151.2126.8145.9-106.3-73.4000109.9S870S870-H872 PolarHBondContact O-N 3.08Å
873L22.8Very low24.3Very low151 Ų151144.5 Ų144.579%0.79178%0.775SS**  trans-65.5138.1172.3-73.774.5000109.6
874L26.8Very low24.5Very low160 Ų160144.1 Ų144.184%0.83878%0.783SS**  -166.7147.5118.6-103.5152.7000111.6
875N22Very low24.7Very low92 Ų92144.9 Ų144.949%0.49279%0.786SS.*  trans-84.5144-173.4-68.3-91.5000111.4F1066N875-F1066 HydrophobicContact CB-CD1 4.27Å; N875-F1066 HydrophobicContact CB-CD2 4.33Å; N875-F1066 HydrophobicContact CB-CE1 3.77Å; N875-F1066 HydrophobicContact CB-CE2 3.86Å; N875-F1066 HydrophobicContact CB-CZ 3.58Å; N875-F1066 VanDerWaalsContact CG-CE2 3.5Å; N875-F1066 WeakPolarHBondContact ND2-CE2 3.19Å; N875-F1066 WeakPolarHBondContact ND2-CZ 3.19Å
876T27Very low24.7Very low129 Ų129145.8 Ų145.879%0.79179%0.791SS**  -167.4145.8122.89.80000112.8
877T22.1Very low24.8Very low134 Ų134141.9 Ų141.982%0.82279%0.789SS**  trans-66.7128.4170.940.50000112.6
878I27.3Very low24.7Very low151 Ų151137.8 Ų137.877%0.77479%0.786SS**  trans-131.6132.1150.7-66.8-173.6000109.7
879V21.7Very low24.8Very low140 Ų140135 Ų13585%0.84879%0.785SS**  trans-90.3126.9166.5169.70000107.4
880T26.4Very low25.1Very low117 Ų117130.4 Ų130.472%0.71878%0.775SS**  trans-151.1116.1160.69.70000112.6
881S22.3Very low24.8Very low101 Ų101131 Ų13171%0.70678%0.779SS**  trans-51.9142.3149.648.70000111.7
882L28.4Very low25Very low177 Ų177132.9 Ų132.993%0.92779%0.785SS**  trans-115.395.4162.8-93.2157.9000109.1
883S23.8Very low24.9Very low87 Ų87133.8 Ų133.861%0.60879%0.787SS**  trans-85.1120.616251.60000108.5T885S883-T885 PolarHBondContact O-N 3.43Å
884A27.4Very low25.1Very low102 Ų102132.4 Ų132.484%0.84379%0.79SS**  trans-72.6117171.700000109.8
885T26.7Very low25Very low121 Ų121133 Ų13374%0.74279%0.788SS**  trans-98.1104.9167.646.50000109.6S883 T887S883-T885 PolarHBondContact O-N 3.43Å; T885-T887 PolarHBondContact O-N 3.37Å
886T23.2Very low25.2Very low143 Ų143135.8 Ų135.888%0.87780%0.801SS**  trans-68.9112168.6-2.80000109.5
887T26.2Very low25.1Very low123 Ų123133.8 Ų133.876%0.75579%0.792SS**  trans-111107.2166500000110.5T885T885-T887 PolarHBondContact O-N 3.37Å
888V22.5Very low25.4Very low134 Ų134132.9 Ų132.981%0.81279%0.787SS**  trans-37.3135.1161178.80000111.7
889T26.6Very low25.4Very low126 Ų126133 Ų13377%0.77378%0.784SS**  trans-161.6113.41407.20000113
890S27.2Very low25.6Very low101 Ų101132 Ų13271%0.70677%0.774SS**  trans-1.4124.3149.753.60000119
891S21.2Very low25.6Very low120 Ų120136.1 Ų136.184%0.83978%0.778SS**  trans-73123.7158.958.70000112
892M27.4Very low25.8Very low193 Ų193139.6 Ų139.695%0.95178%0.783SS**  trans-136.6146.6150.3-92.4-152.5162.100111.2
893K23.2Very low25.6Very low208 Ų208138.3 Ų138.390%0.90478%0.777SS**  trans-84.7140.1-176.2-56.9165.8177.3173.80110.4
894S27.1Very low25.7Very low122 Ų122141.4 Ų141.485%0.85379%0.786SS**  -168.6150.8127.849.60000111.9
895H26Very low25.6Very low172 Ų172141.8 Ų141.880%0.79678%0.778SS**  trans-90159.8-178.5-100.3-99.6000111.8
896I25.7Very low25.6Very low150 Ų150144 Ų14477%0.76978%0.779SS**  trans70.3130.8148.7-70.2162.4000114.3
897S25.8Very low25.8Very low88 Ų88141.1 Ų141.162%0.61577%0.765SS**  cis-169161.55.944.80000112
898T27.2Very low25.8Very low115 Ų115142.2 Ų142.271%0.70677%0.767SS**  trans42.1139.4140.759.60000120.3
899Q27.2Very low26Very low152 Ų152141.5 Ų141.571%0.7177%0.767SS**  cis-173157.617-125.6178.614.800109.2
900N26.4Very low26Very low120 Ų120138.6 Ų138.664%0.64276%0.763SS**  trans63.6150.7149.3-57.9-13.7000119.8
901Y25.7Very low26Very low204 Ų204141.5 Ų141.580%0.877%0.768SS**  cis-169.4157.5-32.6-133.2-63.7000108.3
902Q27.7Very low26.2Very low174 Ų174141 Ų14181%0.81376%0.756SS**  trans82.2149.6155.7-64.9-169.7-13.800121.4
903N23Very low26.2Very low149 Ų149137 Ų13780%0.79774%0.737SS**  trans-92161.6-172.2-53.7-62.4000112.1
904L26.6Very low26.4Very low152 Ų152132.2 Ų132.280%0.79672%0.722SS**  173.1112.8115.4-92.4150.9000113.4
905T25.1Very low26.4Very low110 Ų110134.8 Ų134.868%0.67572%0.718SS**  trans48.714313556.80000125.2
906H27.3Very low27Very low167 Ų167131.3 Ų131.377%0.77371%0.711SS**  trans96.591.4141.7-87.8-65.5000122.9
907S25.9Very low27.3Very low83 Ų83133.1 Ų133.158%0.5872%0.716SS**  74.1133.9118.758.10000125.2
908N26.9Very low27.5Very low147 Ų147134.9 Ų134.979%0.78672%0.723SS**  trans74.1108.3141.5-66.4-2.3000119.3
909S26.3Very low27.8Very low119 Ų119134.4 Ų134.483%0.83272%0.722SS**  81.113788.6760000114.4
910G26.5Very low27.9Very low65 Ų65133.5 Ų133.567%0.6773%0.727SS**  cis174.6-163.72.600000110.1
911I27.4Very low27.9Very low161 Ų161134 Ų13483%0.82673%0.734SS**  trans73.1134172.3-52.5167.7000114.7
912L25.8Very low28Very low110 Ų110134.8 Ų134.858%0.57674%0.736SS**  cis107144.90.1-148.5164.4000116.2I1106L912-I1106 HydrophobicContact CD1-CG1 4.03Å; L912-I1106 HydrophobicContact CD1-CG2 4.21Å; L912-I1106 HydrophobicContact CD2-CD1 3.85Å; L912-I1106 HydrophobicContact CD2-CG1 3.73Å
913L27.3Very low27.9Very low108 Ų108132.7 Ų132.757%0.56573%0.731SS**  trans119113.2169.1-63165.4000113.2I1106L913-I1106 HydrophobicContact CD2-CD1 4.1Å
914N26.8Very low28.3Very low109 Ų109132.1 Ų132.158%0.58373%0.728SS**  90.6150.695.6-77.70.8000113.6
915F28.7Very low28.3Very low175 Ų175131.6 Ų131.677%0.76873%0.726SS**  cis-159.1-147.4-6.4-123.5-42.6000109.3
916P39Very low28.5Very low100 Ų100132.8 Ų132.865%0.64973%0.726SS**  -120.3-176.3-10831-6.5000115.9
917Q31.8Very low28.6Very low188 Ų188131.1 Ų131.188%0.87972%0.723SS**  -177.1159.9114-97.7179.616.600114.8
918T28.1Very low28.8Very low125 Ų125134 Ų13477%0.76773%0.732SS**  trans-92.9-167.5-178.454.80000110.7
919P35.1Very low28.9Very low105 Ų105131.3 Ų131.368%0.68273%0.725SS**  cis-143.3-167.42.235-9.7000117.1
920T29.6Very low28.8Very low133 Ų133130.3 Ų130.382%0.81672%0.718SS**  trans86.6151.4153.660.50000122.5
921T26.3Very low28.8Very low129 Ų129131.8 Ų131.879%0.79172%0.718SS**  trans-136.3171.4-162.948.90000111.3
922R26.2Very low28.6Very low221 Ų221131.1 Ų131.183%0.83472%0.716SS**  trans88.5116157-81.8-171.8164.6162.4-3.4120.9
923N26.6Very low28.8Very low131 Ų131137.3 Ų137.370%0.70173%0.734SS**  92.4142.8120.9-78.421.1000122.4
924N30.3Very low28.7Very low137 Ų137141.3 Ų141.373%0.73374%0.742SS**  trans88.786.9153.7-63.5-5.2000120.3
925N27Very low28.8Very low141 Ų141145.1 Ų145.175%0.75475%0.75SS**  51.4138.5107-905.8000122.6
926I29.1Very low28.6Very low134 Ų134140.5 Ų140.569%0.68773%0.733SS**  trans79.2102.8148.9-62.2155.6000117.1
927N30.4Very low28Very low133 Ų133146.2 Ų146.271%0.71174%0.743SS**  -173.2139.4107.2-97.3-49.9000112.8
928N29.3Very low27.8Very low142 Ų142143.6 Ų143.676%0.75973%0.726SS**  trans24.2149.8135-62.2-7.8000121.4
929S28.5Very low27.8Very low92 Ų92146.7 Ų146.764%0.64373%0.725SS**  cis-176.9157.6-12.751.60000110
930S25.8Very low27.1Very low98 Ų98145.4 Ų145.469%0.68572%0.719SS**  trans56.6122.314262.90000122.9
931S26.2Very low26.9Very low95 Ų95144.6 Ų144.666%0.66471%0.714SS**  76.5115.4126.365.90000122.8
932N23.5Very low26.7Very low148 Ų148144.9 Ų144.979%0.79171%0.71SS**  40.5111.5125.8-58.9-3.8000119.8
933Y30Very low26.6Very low240 Ų240139.2 Ų139.294%0.94171%0.705SS**  -138.6145126.7-93.6-80.8000109.3
934Y24.5Very low26.5Very low191 Ų191140.7 Ų140.775%0.74971%0.708SS**  trans-130.6175.4-178-150.7-89.8000108.5
935Y28.5Very low26.3Very low190 Ų190141.7 Ų141.775%0.74571%0.708SS**  trans80138.7-172.3-68-92.8000115.3Y938Y935-Y938 HydrophobicContact CD1-CE2 4.44Å
936D23.9Very low26.4Very low78 Ų78142.6 Ų142.642%0.41771%0.709SS.*  cis153.9131.6-26.5-96.5-31.3000105.8Y938D936-Y938 HydrophobicContact CB-CD2 3.63Å; D936-Y938 HydrophobicContact CB-CE2 3.57Å
937Y27.2Very low26.4Very low219 Ų219141.5 Ų141.586%0.85971%0.709SS**  trans-137.2102.4145.3-102.3-93.1000102.9Y939Y937-Y939 HydrophobicContact CD1-CE2 4.42Å; Y937-Y939 HydrophobicContact CE1-CE2 4.47Å
938Y27.1Very low26.4Very low133 Ų133140.3 Ų140.352%0.52271%0.707SS.*  43.6128.575-68.2-77.4000111.8Y935 D936Y935-Y938 HydrophobicContact CD1-CE2 4.44Å; D936-Y938 HydrophobicContact CB-CD2 3.63Å; D936-Y938 HydrophobicContact CB-CE2 3.57Å
939Y28.7Very low26.4Very low191 Ų191139.2 Ų139.275%0.74971%0.705SS**  cis-146.9150.545.7-87.8-93.4000109.8Y937Y937-Y939 HydrophobicContact CD1-CE2 4.42Å; Y937-Y939 HydrophobicContact CE1-CE2 4.47Å
940S21.4Very low26.4Very low77 Ų77139.9 Ų139.954%0.53871%0.706SS.*  cis62.5109.835-74.10000116.2
941T23.9Very low26.5Very low117 Ų117142.3 Ų142.372%0.71871%0.71SS**  trans67.7155.3165.373.80000116.4
942N22.8Very low26.4Very low134 Ų134143.1 Ų143.172%0.71771%0.711SS**  cis-168.3156.8-25.6-101.8-14.9000106.6
943S23.3Very low26.4Very low103 Ų103140.5 Ų140.572%0.7271%0.705SS**  trans63.6164.7150.168.30000116.2
944E24.7Very low26.1Very low162 Ų162133.9 Ų133.976%0.75769%0.693SS**  cis-160.2173.511-150.7160.4-124.400111.4
945Q27.7Very low26Very low158 Ų158130.7 Ų130.774%0.73869%0.694SS**  trans77.2136168.6-52.8178.79.800116.4
946M28.5Very low25.7Very low159 Ų159126.3 Ų126.378%0.78369%0.691SS**  cis-165.2160.3-6.8-111.8-173.1-169.700106.1
947T29Very low25.6Very low111 Ų111127.7 Ų127.768%0.68170%0.703SS**  cis-152.6170.34.329.10000106.5
948T30.7Very low25.4Very low109 Ų109125.8 Ų125.867%0.66970%0.699SS**  cis-161.8145.9-2.412.50000109.5
949T29Very low25.1Very low118 Ų118126.2 Ų126.272%0.72471%0.709SS**  trans59.6140.4146.459.30000121.6
950T28.3Very low24.9Very low106 Ų106122.3 Ų122.365%0.6571%0.709SS**  cis-172.1145.21.921.80000111.5
951L27.3Very low24.9Very low149 Ų149123.7 Ų123.778%0.7872%0.719SS**  trans59.9146.5137-61.4169.2000121
952T25.2Very low25.6Very low112 Ų112123.3 Ų123.369%0.68772%0.719SS**  cis-168.7164.1-24.715.10000110.5
953S24Very low25.6Very low94 Ų94122 Ų12266%0.65772%0.72SS**  trans61.2102.8142.664.60000122.6
954S22.3Very low25.8Very low100 Ų100122.8 Ų122.870%0.69973%0.726SS**  50143.6115.865.60000124.8
955T22.3Very low25.8Very low125 Ų125120.3 Ų120.377%0.76773%0.726SS**  trans85.8123.214337.50000123.3
956S21.9Very low26Very low98 Ų98117.7 Ų117.769%0.68572%0.723SS**  trans75116.7138630000122.8
957T21.8Very low26Very low107 Ų107115.1 Ų115.166%0.65672%0.72SS**  trans56.4119.3134.359.40000120.6
958F23.3Very low25.8Very low179 Ų179114 Ų11479%0.78572%0.718SS**  169.4133.2101-100.1-74000113.6
959I22.1Very low25.6Very low142 Ų142116 Ų11673%0.72872%0.724SS**  trans49.1139.8138.9-76.9174.4000123.1
960S22.8Very low25.4Very low108 Ų108114.6 Ų114.676%0.75572%0.719SS**  trans83.512515065.20000122.9
961S23.1Very low25.3Very low106 Ų106117 Ų11774%0.74173%0.727SS**  trans-70.1-178.2148.255.40000112.6
962P36.8Very low25.1Very low109 Ų109114.1 Ų114.171%0.70872%0.719SS**  cis-135.9-172.1-8.931.9-9000115.2
963S23.5Very low25.2Very low106 Ų106115.9 Ų115.974%0.74172%0.723SS**  trans67.2124.3146.866.20000122.4
964S27.5Very low25.3Very low121 Ų121118.7 Ų118.785%0.84673%0.725SS**  172.2134.2108.462.40000113.7
965S24.4Very low25.5Very low110 Ų110119.9 Ų119.977%0.76972%0.724SS**  trans-81.6-174.3157.956.50000109.7
966P33.2Very low25.8Very low102 Ų102119.8 Ų119.866%0.66272%0.718SS**  cis-149-177.715.242.2-20.2000119.1
967S26.7Very low26.1Very low105 Ų105120.8 Ų120.873%0.73472%0.716SS**  trans65.1155.6144.367.80000121.1
968S25.9Very low26.4Very low89 Ų89122 Ų12262%0.62272%0.719SS**  cis-176.2162.2-26.2540000109.7
969N26.4Very low26.6Very low150 Ų150123.3 Ų123.380%0.80272%0.72SS**  trans76.8149.4164.4-55.9-13.4000118.4
970S24.2Very low26.7Very low88 Ų88126.5 Ų126.562%0.61572%0.724SS**  cis178.8158-37.649.10000109.7
971L26Very low26.9Very low158 Ų158129 Ų12983%0.82773%0.729SS**  trans76.1145.5167.5-60137.1000117.5
972S23.1Very low26.8Very low88 Ų88133.7 Ų133.762%0.61574%0.739SS**  cis-178.3167.4-28.148.50000110.7
973I27.3Very low26.3Very low148 Ų148133.1 Ų133.176%0.75974%0.738SS**  trans108.793.6156.6-58164.7000118
974H27.6Very low26.4Very low154 Ų154136.2 Ų136.271%0.71374%0.744SS**  trans58.5123.9133.4-76.6-55.9000126.6
975N26.4Very low26.2Very low125 Ų125137.1 Ų137.167%0.66875%0.745SS**  trans66.2139.1130.7-62.58.6000119.4
976N27.7Very low26.3Very low122 Ų122140.9 Ų140.965%0.65275%0.747SS**  cis-158.81535.3-122.1-1.4000112.9
977N28.7Very low25.8Very low119 Ų119141.9 Ų141.964%0.63675%0.751SS**  trans70.3118.1150.4-64.7-14000123.3
978N27.9Very low25.8Very low133 Ų133146.6 Ų146.671%0.71176%0.759SS**  trans68.9126139.2-55.4-18.2000118.1
979Y26.4Very low25.6Very low207 Ų207150.8 Ų150.881%0.81277%0.768SS**  cis-148.4174.529.7-108.8-84000112.8
980Y24.1Very low25.5Very low209 Ų209151.3 Ų151.382%0.8277%0.766SS**  trans75.389.8172.9-71.7-81.3000119
981N27.1Very low25.5Very low159 Ų159153.3 Ų153.385%0.8577%0.769SS**  -162.8127.6107.4-107.8-33.2000111.6
982Q22.3Very low25.6Very low205 Ų205151.8 Ų151.896%0.95877%0.767SS**  trans-102.591.3-175.8-159.5173.232.300109.3
983S25.5Very low25.8Very low97 Ų97154.5 Ų154.568%0.67877%0.774SS**  trans-133.3120.3177.360.80000112.8V985S983-V985 PolarHBondContact O-N 3.01Å
984I26Very low25.8Very low171 Ų171154.3 Ų154.388%0.87777%0.769SS**  trans26.282.1150.3-44.4-180000116.7
985V23.9Very low26.1Very low141 Ų141151.8 Ų151.886%0.85577%0.768SS**  trans-127.194.1147.1-178.40000108.4S983S983-V985 PolarHBondContact O-N 3.01Å
986K25.5Very low26.9Very low189 Ų189152.4 Ų152.482%0.82277%0.77SS**  trans-98.9106.2159.8-87.1-173.3175.4-179.20108.5K988K986-K988 PolarHBondContact O-N 2.84Å; K986-K988 VanDerWaalsContact O-N 3.09Å
987T23.8Very low27.9Very low122 Ų122153 Ų15375%0.74877%0.773SS**  trans11.885.1143.242.60000116.9Q989T987-Q989 PolarHBondContact O-N 2.9Å; T987-Q989 VanDerWaalsContact O-N 3.1Å
988K25.5Very low29.4Very low204 Ų204147.9 Ų147.989%0.88775%0.749SS**  trans-80.670.4156.7-81.9-172173.1-177.70110.1K986K986-K988 PolarHBondContact O-N 2.84Å; K986-K988 VanDerWaalsContact O-N 3.09Å
989Q23Very low31.7Very low177 Ų177143.9 Ų143.983%0.82773%0.727SS**  trans-113.556.1159.4-90.1-171.7-2300109.2T987T987-Q989 PolarHBondContact O-N 2.9Å; T987-Q989 VanDerWaalsContact O-N 3.1Å
990H24.2Very low34.7Very low161 Ų161135.5 Ų135.575%0.74570%0.699SS**  trans-155.7117.6167.9-95.1-88.5000105.4
991N23.8Very low37.8Very low130 Ų130125.5 Ų125.570%0.69566%0.66SS**SBendtrans171.3-3.4147.6-89.76.1000115.3
992T27.9Very low40.7Very low126 Ų126118 Ų11877%0.77362%0.62SS**SBendtrans-86.5-0.1173.84.30000115.2
993L26.8Very low43.9Very low146 Ų146110.9 Ų110.976%0.76459%0.586SS**SBendtrans-102.3-10.9176.7-126.280.1000114.2
994H28Very low47Very low143 Ų143106.5 Ų106.566%0.66256%0.555SS**THydrogen-bonded Turntrans-85.6-15.5-166.6-124.9-79.6000114.8
995C34.7Very low50.1Low101 Ų10198.3 Ų98.368%0.68251%0.513SS*.THydrogen-bonded Turntrans-79.9-16.8179.9-600000113.5
996I42.1Very low53.3Low138 Ų13893.7 Ų93.771%0.70848%0.48SS*.SBendtrans-81-24.7-176.2-61.3173.5000112
997N48.2Very low56.4Low135 Ų13588.3 Ų88.372%0.72246%0.458SS*.SBendtrans-101.13.6-177.6-76.2-8.3000114.2
998G60.1Low59.7Low12 Ų1282.6 Ų82.612%0.12442%0.423CS..  trans-59.4143.1177.600000113.1S1000G998-S1000 PolarHBondContact O-N 3.5Å
999N77.2Confident62.8Low49 Ų4973.3 Ų73.326%0.26238%0.383SS..  trans-87.798.5166.4-80.6-8.4000107.9E839 L840 T841 K1003E839-N999 WeakPolarHBondContact O-CB 3.4Å; E839-N999 PolarHBondContact O-ND2 3.35Å; L840-N999 WeakPolarHBondContact CA-O 3.15Å; T841-N999 PolarHBondContact N-O 2.92Å; T841-N999 PolarHBondContact OG1-N 2.87Å; N999-K1003 PolarHBondContact OD1-NZ 2.85Å
1000S88.5Confident66.1Low30 Ų3069.1 Ų69.121%0.2136%0.364CS..  trans-89.6151.4175.9119.40000109.8D844 G998 G1002 K1003 A1004D844-S1000 WeakPolarHBondContact OD1-CA 3.34Å; D844-S1000 WeakPolarHBondContact OD1-CB 3.39Å; D844-S1000 PolarHBondContact OD1-OG 2.59Å; G998-S1000 PolarHBondContact O-N 3.5Å; S1000-G1002 PolarHBondContact O-N 3.5Å; S1000-G1002 PolarHBondContact OG-N 3.21Å; S1000-G1002 VanDerWaalsContact OG-N 3.15Å; S1000-K1003 WeakPolarHBondContact O-CB 3.39Å; S1000-K1003 PolarHBondContact O-N 3.37Å; S1000-K1003 PolarHBondContact OG-N 2.94Å; S1000-A1004 PolarHBondContact O-N 2.81Å
1001L89.8Confident69.2Low0 Ų065.8 Ų65.80%035%0.351CS..Hα-helixtrans-56.2-36175.3176.659.3000111R561 V562 C563 A620 L840 D844 A1004 L1005 I1039R561-L1001 HydrophobicContact CB-CD2 4.2Å; R561-L1001 HydrophobicContact CB-CG 4.44Å; V562-L1001 WeakPolarHBondContact O-CD2 3.39Å; C563-L1001 HydrophobicContact CB-CB 3.82Å; C563-L1001 HydrophobicContact CB-CD2 3.81Å; C563-L1001 HydrophobicContact CB-CG 4.47Å; A620-L1001 HydrophobicContact CB-CD2 3.99Å; L840-L1001 HydrophobicContact CD1-CB 4.27Å; L840-L1001 HydrophobicContact CD2-CB 4.41Å; D844-L1001 PolarHBondContact OD1-N 2.83Å; L1001-A1004 PolarHBondContact O-N 3.33Å; L1001-L1005 HydrophobicContact CD1-CD1 3.71Å; L1001-L1005 HydrophobicContact CD1-CG 4.05Å; L1001-L1005 HydrophobicContact CD2-CD1 4.46Å; L1001-L1005 HydrophobicContact CG-CD1 3.8Å; L1001-L1005 WeakPolarHBondContact O-CB 3.26Å; L1001-L1005 WeakPolarHBondContact O-CG 3.34Å; L1001-L1005 PolarHBondContact O-N 2.79Å; L1001-I1039 HydrophobicContact CD1-CD1 3.64Å
1002G88.1Confident72.3Confident2 Ų259.9 Ų59.92%0.02132%0.319CS..Hα-helixtrans-70.9-31.2175.800000115.9R561 D844 S1000 R1006R561-G1002 VanDerWaalsContact CD-CA 3.5Å; D844-G1002 PolarHBondContact OD1-N 3.25Å; D844-G1002 WeakPolarHBondContact OD2-CA 3.24Å; D844-G1002 PolarHBondContact OD2-N 3.12Å; S1000-G1002 PolarHBondContact O-N 3.5Å; S1000-G1002 PolarHBondContact OG-N 3.21Å; S1000-G1002 VanDerWaalsContact OG-N 3.15Å; G1002-R1006 VanDerWaalsContact O-CB 3.22Å; G1002-R1006 WeakPolarHBondContact O-CB 3.45Å; G1002-R1006 PolarHBondContact O-N 3.11Å
1003K88.8Confident75.2Confident55 Ų5554.9 Ų54.924%0.23929%0.286CS..Hα-helixtrans-67-49.1168.7-178-175170.5-163.50110.2N999 S1000 L1005 R1006 E1007N999-K1003 PolarHBondContact OD1-NZ 2.85Å; S1000-K1003 WeakPolarHBondContact O-CB 3.39Å; S1000-K1003 PolarHBondContact O-N 3.37Å; S1000-K1003 PolarHBondContact OG-N 2.94Å; K1003-L1005 PolarHBondContact O-N 3.27Å; K1003-R1006 PolarHBondContact O-N 3.09Å; K1003-E1007 WeakPolarHBondContact CE-OE1 3.06Å; K1003-E1007 VanDerWaalsContact CG-OE1 3.23Å; K1003-E1007 WeakPolarHBondContact CG-OE1 3.49Å; K1003-E1007 WeakPolarHBondContact O-CG 3.42Å; K1003-E1007 PolarHBondContact O-N 2.94Å
1004A91.7Very high78.2Confident4 Ų454 Ų543%0.03328%0.277CS..Hα-helixtrans-55.4-53.7179.100000112.8T838 S1000 L1001 R1006 E1007 F1008 I1041T838-A1004 HydrophobicContact CG2-CB 3.58Å; S1000-A1004 PolarHBondContact O-N 2.81Å; L1001-A1004 PolarHBondContact O-N 3.33Å; A1004-R1006 VanDerWaalsContact C-N 3.31Å; A1004-R1006 PolarHBondContact O-N 2.95Å; A1004-E1007 PolarHBondContact O-N 3.44Å; A1004-F1008 VanDerWaalsContact O-CB 3.23Å; A1004-F1008 WeakPolarHBondContact O-CB 3.13Å; A1004-F1008 PolarHBondContact O-N 3.16Å; A1004-I1041 HydrophobicContact CB-CD1 3.81Å
1005L91.4Very high81Confident0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-66.2-31.5-179-71.8165.8000112.9R561 I622 L1001 K1003 N1009 I1041R561-L1005 HydrophobicContact CB-CD1 3.85Å; R561-L1005 HydrophobicContact CG-CD1 4.42Å; I622-L1005 HydrophobicContact CD1-CD1 4.33Å; I622-L1005 HydrophobicContact CD1-CD2 4.31Å; L1001-L1005 HydrophobicContact CD1-CD1 3.71Å; L1001-L1005 HydrophobicContact CD1-CG 4.05Å; L1001-L1005 HydrophobicContact CD2-CD1 4.46Å; L1001-L1005 HydrophobicContact CG-CD1 3.8Å; L1001-L1005 WeakPolarHBondContact O-CB 3.26Å; L1001-L1005 WeakPolarHBondContact O-CG 3.34Å; L1001-L1005 PolarHBondContact O-N 2.79Å; K1003-L1005 PolarHBondContact O-N 3.27Å; L1005-N1009 WeakPolarHBondContact O-CB 3.38Å; L1005-N1009 PolarHBondContact O-N 3.01Å; L1005-N1009 PolarHBondContact O-ND2 3.33Å; L1005-I1041 HydrophobicContact CD2-CB 4.44Å; L1005-I1041 HydrophobicContact CD2-CD1 3.65Å; L1005-I1041 HydrophobicContact CD2-CG1 3.92Å; L1005-I1041 HydrophobicContact CD2-CG2 3.65Å; L1005-I1041 HydrophobicContact CG-CD1 3.9Å
1006R90.8Very high83.5Confident43 Ų4350.2 Ų50.216%0.16224%0.243CC..Hα-helixtrans-67.7-50.1174.5170.5171.361.6-130.44111.8Q769 P771 G1002 K1003 A1004 F1008 N1009 Q1010Q769-R1006 VanDerWaalsContact O-CD 3.3Å; Q769-R1006 WeakPolarHBondContact O-CD 3.35Å; P771-R1006 HydrophobicContact CG-CG 4.08Å; G1002-R1006 VanDerWaalsContact O-CB 3.22Å; G1002-R1006 WeakPolarHBondContact O-CB 3.45Å; G1002-R1006 PolarHBondContact O-N 3.11Å; K1003-R1006 PolarHBondContact O-N 3.09Å; A1004-R1006 VanDerWaalsContact C-N 3.31Å; A1004-R1006 PolarHBondContact O-N 2.95Å; R1006-F1008 VanDerWaalsContact C-N 3.32Å; R1006-N1009 PolarHBondContact O-N 3.38Å; R1006-Q1010 WeakPolarHBondContact O-CG 3.4Å; R1006-Q1010 PolarHBondContact O-N 3.13Å
1007E90.5Very high85.7Confident76 Ų7649.6 Ų49.636%0.35523%0.231SC..Hα-helixtrans-61.7-43.6177.7-71.2176.2-163.100110.4K1003 A1004 N1009 Q1010 L1011K1003-E1007 WeakPolarHBondContact CE-OE1 3.06Å; K1003-E1007 VanDerWaalsContact CG-OE1 3.23Å; K1003-E1007 WeakPolarHBondContact CG-OE1 3.49Å; K1003-E1007 WeakPolarHBondContact O-CG 3.42Å; K1003-E1007 PolarHBondContact O-N 2.94Å; A1004-E1007 PolarHBondContact O-N 3.44Å; E1007-N1009 PolarHBondContact O-N 2.89Å; E1007-Q1010 PolarHBondContact O-N 2.99Å; E1007-L1011 WeakPolarHBondContact O-CB 3.43Å; E1007-L1011 VanDerWaalsContact O-CG 3.23Å; E1007-L1011 WeakPolarHBondContact O-CG 3.39Å; E1007-L1011 PolarHBondContact O-N 3.44Å
1008F92.1Very high87.6Confident3 Ų349.8 Ų49.81%0.01323%0.227CC..Hα-helixtrans-55.3-49.2173.7178.8-98.8000113.4R834 H836 A1004 R1006 L1011 T1012 Y1029 I1041 A1043R834-F1008 HydrophobicContact CB-CE2 3.91Å; R834-F1008 HydrophobicContact CB-CZ 3.7Å; H836-F1008 HydrophobicContact CB-CD2 3.41Å; H836-F1008 VanDerWaalsContact CB-CD2 3.41Å; H836-F1008 HydrophobicContact CB-CE2 3.88Å; H836-F1008 HydrophobicContact CB-CG 4.45Å; A1004-F1008 VanDerWaalsContact O-CB 3.23Å; A1004-F1008 WeakPolarHBondContact O-CB 3.13Å; A1004-F1008 PolarHBondContact O-N 3.16Å; R1006-F1008 VanDerWaalsContact C-N 3.32Å; F1008-L1011 PolarHBondContact O-N 3Å; F1008-T1012 VanDerWaalsContact O-CB 3.31Å; F1008-T1012 WeakPolarHBondContact O-CB 3.31Å; F1008-T1012 PolarHBondContact O-N 3.18Å; F1008-T1012 PolarHBondContact O-OG1 2.97Å; F1008-Y1029 AromaticContact CD1-CE1 4Å; F1008-Y1029 HydrophobicContact CD1-CE1 4Å; F1008-Y1029 HydrophobicContact CE1-CD1 4.21Å; F1008-Y1029 AromaticContact CE1-CE1 3.73Å; F1008-Y1029 HydrophobicContact CE1-CE1 3.73Å; F1008-I1041 HydrophobicContact CD1-CG2 4.05Å; F1008-I1041 HydrophobicContact CD2-CG2 4.23Å; F1008-I1041 HydrophobicContact CE1-CG2 4.06Å; F1008-I1041 HydrophobicContact CE2-CG2 4.19Å; F1008-I1041 HydrophobicContact CG-CG2 4.11Å; F1008-I1041 HydrophobicContact CZ-CG2 4.1Å; F1008-A1043 HydrophobicContact CE1-CB 3.48Å; F1008-A1043 VanDerWaalsContact CE1-CB 3.48Å; F1008-A1043 HydrophobicContact CZ-CB 3.5Å; F1008-A1043 VanDerWaalsContact CZ-CB 3.5Å
1009N92Very high88.8Confident9 Ų953.3 Ų53.35%0.04824%0.238CC..Hα-helixtrans-63.8-47178.9-76.8-15.8000111.2Q559 L1005 R1006 E1007 L1011 T1012 W1013 Y1029Q559-N1009 PolarHBondContact OE1-ND2 2.95Å; L1005-N1009 WeakPolarHBondContact O-CB 3.38Å; L1005-N1009 PolarHBondContact O-N 3.01Å; L1005-N1009 PolarHBondContact O-ND2 3.33Å; R1006-N1009 PolarHBondContact O-N 3.38Å; E1007-N1009 PolarHBondContact O-N 2.89Å; N1009-L1011 PolarHBondContact O-N 3.47Å; N1009-T1012 WeakPolarHBondContact O-CB 3.36Å; N1009-T1012 PolarHBondContact O-N 2.99Å; N1009-W1013 HydrophobicContact CB-CH2 4.42Å; N1009-W1013 HydrophobicContact CB-CZ2 3.9Å; N1009-W1013 VanDerWaalsContact O-CD1 3.31Å; N1009-W1013 PolarHBondContact O-N 3.49Å; N1009-Y1029 WeakPolarHBondContact OD1-CE1 3.09Å; N1009-Y1029 PolarHBondContact OD1-OH 2.95Å
1010Q91.1Very high89.2Confident89 Ų8953.5 Ų53.542%0.41624%0.238SC..Hα-helixtrans-59.2-46177.1-72174.4-35.300112.3P771 R1006 E1007 T1012 W1013 F1014P771-Q1010 HydrophobicContact CB-CG 4.25Å; P771-Q1010 HydrophobicContact CG-CG 3.89Å; R1006-Q1010 WeakPolarHBondContact O-CG 3.4Å; R1006-Q1010 PolarHBondContact O-N 3.13Å; E1007-Q1010 PolarHBondContact O-N 2.99Å; Q1010-T1012 PolarHBondContact O-N 3.23Å; Q1010-W1013 PolarHBondContact O-N 3.41Å; Q1010-F1014 VanDerWaalsContact O-CB 3.26Å; Q1010-F1014 WeakPolarHBondContact O-CB 3.45Å; Q1010-F1014 PolarHBondContact O-N 2.89Å
1011L90Very high89.2Confident91 Ų9154.2 Ų54.248%0.47624%0.242SC..Hα-helixtrans-62.7-29.3175.6-73.5169.7000112.5R834 E1007 F1008 N1009 R1015R834-L1011 PolarHBondContact NH1-O 3.34Å; E1007-L1011 WeakPolarHBondContact O-CB 3.43Å; E1007-L1011 VanDerWaalsContact O-CG 3.23Å; E1007-L1011 WeakPolarHBondContact O-CG 3.39Å; E1007-L1011 PolarHBondContact O-N 3.44Å; F1008-L1011 PolarHBondContact O-N 3Å; N1009-L1011 PolarHBondContact O-N 3.47Å; L1011-R1015 PolarHBondContact O-N 2.97Å
1012T88.5Confident89.1Confident6 Ų654.3 Ų54.34%0.03724%0.243CC..Hα-helixtrans-78.1-44.9179.6-62.50000110.8F832 R834 F1008 N1009 Q1010 F1014 R1015 F1016F832-T1012 HydrophobicContact CE2-CG2 4.33Å; R834-T1012 HydrophobicContact CG-CG2 4.46Å; R834-T1012 PolarHBondContact NH1-OG1 3.32Å; R834-T1012 VanDerWaalsContact NH1-OG1 3.1Å; F1008-T1012 VanDerWaalsContact O-CB 3.31Å; F1008-T1012 WeakPolarHBondContact O-CB 3.31Å; F1008-T1012 PolarHBondContact O-N 3.18Å; F1008-T1012 PolarHBondContact O-OG1 2.97Å; N1009-T1012 WeakPolarHBondContact O-CB 3.36Å; N1009-T1012 PolarHBondContact O-N 2.99Å; Q1010-T1012 PolarHBondContact O-N 3.23Å; T1012-F1014 PolarHBondContact O-N 3.18Å; T1012-R1015 WeakPolarHBondContact O-CB 3.49Å; T1012-R1015 PolarHBondContact O-N 2.97Å; T1012-F1016 HydrophobicContact CG2-CD2 4.01Å; T1012-F1016 HydrophobicContact CG2-CE2 3.61Å; T1012-F1016 WeakPolarHBondContact O-CD2 3.49Å; T1012-F1016 PolarHBondContact O-N 2.81Å
1013W89.2Confident89.1Confident21 Ų2154.9 Ų54.98%0.0825%0.245CC..Hα-helixtrans-63.5-41.7173.1-50.5-23.1000111.9P771 F772 Q773 P774 L777 L779 N1009 Q1010 R1015 F1016 R1017P771-W1013 HydrophobicContact CB-CH2 4.31Å; P771-W1013 HydrophobicContact CB-CZ3 3.88Å; P771-W1013 HydrophobicContact CG-CH2 3.82Å; P771-W1013 HydrophobicContact CG-CZ3 3.73Å; P771-W1013 WeakPolarHBondContact O-CH2 3.48Å; F772-W1013 VanDerWaalsContact O-CZ3 3.25Å; F772-W1013 WeakPolarHBondContact O-CZ3 3.48Å; Q773-W1013 HydrophobicContact CB-CH2 4.44Å; Q773-W1013 HydrophobicContact CB-CZ2 4.42Å; P774-W1013 HydrophobicContact CG-CB 3.95Å; L777-W1013 HydrophobicContact CD2-CB 3.91Å; L777-W1013 HydrophobicContact CD2-CG 3.82Å; L779-W1013 HydrophobicContact CD1-CZ2 3.73Å; L779-W1013 VanDerWaalsContact CD1-NE1 3.27Å; N1009-W1013 HydrophobicContact CB-CH2 4.42Å; N1009-W1013 HydrophobicContact CB-CZ2 3.9Å; N1009-W1013 VanDerWaalsContact O-CD1 3.31Å; N1009-W1013 PolarHBondContact O-N 3.49Å; Q1010-W1013 PolarHBondContact O-N 3.41Å; W1013-R1015 VanDerWaalsContact C-N 3.28Å; W1013-R1015 PolarHBondContact O-N 3.48Å; W1013-F1016 CarbonylContact O-C 3.59Å; W1013-F1016 PolarHBondContact O-N 3.22Å; W1013-R1017 PolarHBondContact O-N 3.3Å
1014F90.1Very high89.1Confident127 Ų12752.4 Ų52.456%0.55723%0.234SC*.Hα-helixtrans-60.1-36174.9-177.5-87.5000112.6Q1010 T1012 R1017Q1010-F1014 VanDerWaalsContact O-CB 3.26Å; Q1010-F1014 WeakPolarHBondContact O-CB 3.45Å; Q1010-F1014 PolarHBondContact O-N 2.89Å; T1012-F1014 PolarHBondContact O-N 3.18Å; F1014-R1017 VanDerWaalsContact O-CD 3.25Å; F1014-R1017 WeakPolarHBondContact O-CD 3.5Å; F1014-R1017 WeakPolarHBondContact O-CG 3.49Å
1015R86.6Confident88.9Confident149 Ų14952.2 Ų52.256%0.56223%0.233SC*.Hα-helixtrans-65-41.9176.1-179.958.5172.4-175.8-0.7111.7L1011 T1012 W1013L1011-R1015 PolarHBondContact O-N 2.97Å; T1012-R1015 WeakPolarHBondContact O-CB 3.49Å; T1012-R1015 PolarHBondContact O-N 2.97Å; W1013-R1015 VanDerWaalsContact C-N 3.28Å; W1013-R1015 PolarHBondContact O-N 3.48Å
1016F86.8Confident88.7Confident16 Ų1653.2 Ų53.27%0.0724%0.241CC..Hα-helixtrans-92.23-175.7-54.8-47.9000114.6F832 T1012 W1013 H1018 Y1019 I1024 I1047F832-F1016 HydrophobicContact CB-CE1 4.43Å; F832-F1016 HydrophobicContact CB-CE2 4.49Å; F832-F1016 HydrophobicContact CB-CZ 3.68Å; F832-F1016 AromaticContact CD1-CE2 3.9Å; F832-F1016 HydrophobicContact CD1-CE2 3.9Å; F832-F1016 AromaticContact CD1-CZ 3.85Å; F832-F1016 HydrophobicContact CD1-CZ 3.85Å; F832-F1016 HydrophobicContact CD2-CE2 4.03Å; F832-F1016 AromaticContact CD2-CZ 3.97Å; F832-F1016 HydrophobicContact CD2-CZ 3.97Å; F832-F1016 HydrophobicContact CE1-CE2 4.08Å; F832-F1016 HydrophobicContact CE1-CZ 4.49Å; F832-F1016 HydrophobicContact CE2-CE2 4.22Å; F832-F1016 AromaticContact CG-CE2 3.86Å; F832-F1016 HydrophobicContact CG-CE2 3.86Å; F832-F1016 AromaticContact CG-CZ 3.55Å; F832-F1016 HydrophobicContact CG-CZ 3.55Å; F832-F1016 HydrophobicContact CZ-CE2 4.24Å; T1012-F1016 HydrophobicContact CG2-CD2 4.01Å; T1012-F1016 HydrophobicContact CG2-CE2 3.61Å; T1012-F1016 WeakPolarHBondContact O-CD2 3.49Å; T1012-F1016 PolarHBondContact O-N 2.81Å; W1013-F1016 CarbonylContact O-C 3.59Å; W1013-F1016 PolarHBondContact O-N 3.22Å; F1016-H1018 PolarHBondContact O-N 3.37Å; F1016-Y1019 HydrophobicContact CB-CD2 4.36Å; F1016-Y1019 HydrophobicContact CD1-CD2 4.15Å; F1016-Y1019 HydrophobicContact CD1-CE2 4.27Å; F1016-Y1019 WeakPolarHBondContact O-CB 3.5Å; F1016-Y1019 PolarHBondContact O-N 3.44Å; F1016-I1024 HydrophobicContact CD2-CD1 3.71Å; F1016-I1024 HydrophobicContact CE2-CD1 4.28Å; F1016-I1047 HydrophobicContact CD1-CD1 3.49Å; F1016-I1047 VanDerWaalsContact CD1-CD1 3.49Å; F1016-I1047 HydrophobicContact CD1-CG1 4.47Å; F1016-I1047 HydrophobicContact CD2-CD1 4.18Å; F1016-I1047 HydrophobicContact CE1-CD1 3.38Å; F1016-I1047 HydrophobicContact CE2-CD1 4.05Å; F1016-I1047 HydrophobicContact CG-CD1 3.93Å; F1016-I1047 HydrophobicContact CG-CG1 4.47Å; F1016-I1047 HydrophobicContact CZ-CD1 3.68Å
1017R88.5Confident88.7Confident124 Ų12451.4 Ų51.447%0.46824%0.235SC..G310 helixtrans-49.6-30.7176.576.7-173.2-176.8-179.21.1114.7W1013 F1014 Y1019 I1020W1013-R1017 PolarHBondContact O-N 3.3Å; F1014-R1017 VanDerWaalsContact O-CD 3.25Å; F1014-R1017 WeakPolarHBondContact O-CD 3.5Å; F1014-R1017 WeakPolarHBondContact O-CG 3.49Å; R1017-Y1019 VanDerWaalsContact C-N 3.28Å; R1017-Y1019 PolarHBondContact O-N 2.91Å; R1017-I1020 HydrophobicContact CB-CD1 4.49Å; R1017-I1020 WeakPolarHBondContact O-CB 3.07Å; R1017-I1020 PolarHBondContact O-N 3.06Å
1018H87Confident88.7Confident139 Ų13948 Ų4864%0.64422%0.219SC*.G310 helixtrans-77.2-12.3-179.1-46.199.7000113.5F1016F1016-H1018 PolarHBondContact O-N 3.37Å
1019Y85.7Confident88.8Confident86 Ų8648.1 Ų48.134%0.33722%0.219SC..G310 helixtrans-93.9-8.7173.3-67.5-70.6000112.7F1016 R1017 P1021 C1022 I1047 H1049F1016-Y1019 HydrophobicContact CB-CD2 4.36Å; F1016-Y1019 HydrophobicContact CD1-CD2 4.15Å; F1016-Y1019 HydrophobicContact CD1-CE2 4.27Å; F1016-Y1019 WeakPolarHBondContact O-CB 3.5Å; F1016-Y1019 PolarHBondContact O-N 3.44Å; R1017-Y1019 VanDerWaalsContact C-N 3.28Å; R1017-Y1019 PolarHBondContact O-N 2.91Å; Y1019-P1021 CarbonylContact O-C 3.54Å; Y1019-P1021 VanDerWaalsContact O-C 3.22Å; Y1019-P1021 VanDerWaalsContact O-O 3.12Å; Y1019-C1022 VanDerWaalsContact O-CB 3.23Å; Y1019-C1022 WeakPolarHBondContact O-CB 3.41Å; Y1019-I1047 HydrophobicContact CG-CG2 4.46Å; Y1019-H1049 HydrophobicContact CD1-CB 4.32Å; Y1019-H1049 AromaticContact CD1-CD2 3.79Å; Y1019-H1049 AromaticContact CD1-CG 3.84Å; Y1019-H1049 AromaticContact CD1-NE2 3.96Å
1020I87.2Confident88.8Confident53 Ų5348.8 Ų48.827%0.27222%0.221SC..  trans-65.5131.8-177.6-65.2179.1000109.6P774 L777 R1017P774-I1020 HydrophobicContact CB-CD1 3.87Å; P774-I1020 HydrophobicContact CG-CD1 4.5Å; L777-I1020 HydrophobicContact CB-CD1 4.08Å; L777-I1020 HydrophobicContact CB-CG1 4.31Å; R1017-I1020 HydrophobicContact CB-CD1 4.49Å; R1017-I1020 WeakPolarHBondContact O-CB 3.07Å; R1017-I1020 PolarHBondContact O-N 3.06Å
1021P86.8Confident88.8Confident45 Ų4545.3 Ų45.329%0.29221%0.206SC..SBendcis-75.5126.23.630.4-34.4000113.2G776 Y1019 P1050G776-P1021 VanDerWaalsContact O-CA 3.31Å; G776-P1021 WeakPolarHBondContact O-CA 3.23Å; Y1019-P1021 CarbonylContact O-C 3.54Å; Y1019-P1021 VanDerWaalsContact O-C 3.22Å; Y1019-P1021 VanDerWaalsContact O-O 3.12Å; P1021-P1050 WeakPolarHBondContact O-CD 3.34Å
1022C87.7Confident88.8Confident2 Ų242.8 Ų42.81%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-146.7164.817958.80000112.2G776 L777 I778 Y1019 I1047 L1048 H1049G776-C1022 PolarHBondContact O-N 3.48Å; G776-C1022 VanDerWaalsContact O-N 3.09Å; L777-C1022 WeakPolarHBondContact CA-O 3.39Å; L777-C1022 WeakPolarHBondContact CD1-SG 3.37Å; I778-C1022 PolarHBondContact N-O 3.42Å; Y1019-C1022 VanDerWaalsContact O-CB 3.23Å; Y1019-C1022 WeakPolarHBondContact O-CB 3.41Å; C1022-I1047 HydrophobicContact CB-CG2 4.23Å; C1022-L1048 WeakPolarHBondContact CB-O 3.29Å; C1022-H1049 HydrophobicContact CB-CB 3.95Å
1023I88.2Confident88.8Confident15 Ų1544.3 Ų44.38%0.07720%0.201CC..EExtended strand (participates in β ladder)trans-121.5133.9-178.3-66149.2000107.4I778 I785 N1025 I1047 L1048I778-I1023 HydrophobicContact CB-CB 4.49Å; I778-I1023 HydrophobicContact CB-CG1 4Å; I778-I1023 HydrophobicContact CB-CG2 4.49Å; I778-I1023 HydrophobicContact CD1-CG1 4.46Å; I778-I1023 HydrophobicContact CG2-CG2 4.43Å; I778-I1023 CarbonylContact O-C 3.22Å; I778-I1023 WeakPolarHBondContact O-CA 3.17Å; I785-I1023 HydrophobicContact CD1-CD1 3.75Å; I785-I1023 HydrophobicContact CD1-CG2 4.16Å; I1023-N1025 WeakPolarHBondContact CG2-OD1 3.42Å; I1023-I1047 CarbonylContact O-C 3.56Å; I1023-I1047 WeakPolarHBondContact O-CA 3.37Å; I1023-L1048 HydrophobicContact CB-CB 4.38Å; I1023-L1048 PolarHBondContact N-O 3.48Å; I1023-L1048 PolarHBondContact O-N 3.15Å
1024I90Very high88.6Confident2 Ų244.2 Ų44.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-109.5109.5168.8-63.6178.6000107.2L777 I778 L779 T780 F832 F1016 L1027 M1046 I1047L777-I1024 HydrophobicContact CD1-CD1 4.08Å; L777-I1024 HydrophobicContact CD1-CG1 4.18Å; I778-I1024 PolarHBondContact O-N 3.1Å; L779-I1024 HydrophobicContact CD2-CB 3.92Å; L779-I1024 HydrophobicContact CD2-CD1 3.86Å; L779-I1024 HydrophobicContact CD2-CG1 4.22Å; T780-I1024 PolarHBondContact N-O 3.01Å; F832-I1024 HydrophobicContact CE1-CD1 4.31Å; F832-I1024 HydrophobicContact CE1-CG2 3.71Å; F832-I1024 HydrophobicContact CZ-CG2 3.96Å; F1016-I1024 HydrophobicContact CD2-CD1 3.71Å; F1016-I1024 HydrophobicContact CE2-CD1 4.28Å; I1024-L1027 HydrophobicContact CG2-CB 4.39Å; I1024-L1027 HydrophobicContact CG2-CD1 4.1Å; I1024-M1046 WeakPolarHBondContact CA-O 3.36Å; I1024-I1047 HydrophobicContact CD1-CG1 4.29Å; I1024-I1047 HydrophobicContact CG1-CG1 3.93Å
1025N87.3Confident88Confident0 Ų043.4 Ų43.40%021%0.205CC..EExtended strand (participates in β ladder)trans-105.5165.8178.5-8114000111.3T780 E783 I1023 L1027 M1046T780-N1025 PolarHBondContact OG1-OD1 3.18Å; E783-N1025 PolarHBondContact O-ND2 2.76Å; I1023-N1025 WeakPolarHBondContact CG2-OD1 3.42Å; N1025-L1027 PolarHBondContact O-N 3.32Å; N1025-M1046 PolarHBondContact N-O 2.77Å; N1025-M1046 PolarHBondContact O-N 3.2Å; N1025-M1046 VanDerWaalsContact O-N 3.14Å
1026A86.5Confident87.5Confident21 Ų2140 Ų4017%0.17420%0.198CC..EExtended strand (participates in β ladder)trans50.837.7-179.800000112.8T780 T782 D1028 P1171T780-A1026 PolarHBondContact O-N 3.44Å; T782-A1026 PolarHBondContact O-N 2.91Å; T782-A1026 VanDerWaalsContact O-N 3.09Å; A1026-D1028 PolarHBondContact O-N 3Å; A1026-P1171 HydrophobicContact CB-CB 3.9Å
1027L91.6Very high87.1Confident5 Ų542.3 Ų42.33%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-69.1112.2-179.1-174.863.9000110.4L557 T780 F832 I1024 N1025 Y1029 A1043 T1044L557-L1027 HydrophobicContact CD1-CD2 4.08Å; L557-L1027 HydrophobicContact CD2-CD2 3.64Å; L557-L1027 HydrophobicContact CG-CD2 4.47Å; T780-L1027 VanDerWaalsContact O-CB 3.22Å; T780-L1027 WeakPolarHBondContact O-CB 3.12Å; T780-L1027 PolarHBondContact O-N 2.99Å; T780-L1027 VanDerWaalsContact O-N 3.14Å; F832-L1027 HydrophobicContact CE2-CD1 4.48Å; F832-L1027 HydrophobicContact CZ-CD1 3.8Å; I1024-L1027 HydrophobicContact CG2-CB 4.39Å; I1024-L1027 HydrophobicContact CG2-CD1 4.1Å; N1025-L1027 PolarHBondContact O-N 3.32Å; L1027-Y1029 HydrophobicContact CD1-CE2 4.18Å; L1027-Y1029 HydrophobicContact CD2-CE2 3.59Å; L1027-Y1029 HydrophobicContact CG-CD2 4.2Å; L1027-Y1029 HydrophobicContact CG-CE2 3.58Å; L1027-A1043 HydrophobicContact CD1-CB 4.49Å; L1027-T1044 WeakPolarHBondContact CA-O 3.46Å
1028D91.1Very high87Confident6 Ų639 Ų393%0.03220%0.199CC..EExtended strand (participates in β ladder)trans-117.9124.1178.2-170.964.1000109.7R609 R611 A1026 R1030 A1043 T1044R609-D1028 WeakPolarHBondContact CD-OD1 3.32Å; R609-D1028 IonicContact CZ-OD1 3.92Å; R609-D1028 IonicContact NE-OD1 3.22Å; R609-D1028 IonicContact NH1-OD1 2.66Å; R609-D1028 PolarHBondContact NH1-OD1 2.65Å; R609-D1028 IonicContact NH1-OD2 3.09Å; R611-D1028 IonicContact CZ-OD2 3.65Å; R611-D1028 IonicContact NE-OD1 2.84Å; R611-D1028 IonicContact NE-OD2 2.7Å; R611-D1028 IonicContact NH2-OD1 2.71Å; R611-D1028 PolarHBondContact NH2-OD1 2.76Å; R611-D1028 IonicContact NH2-OD2 3.84Å; R611-D1028 PolarHBondContact NH2-OD2 2.86Å; A1026-D1028 PolarHBondContact O-N 3Å; D1028-R1030 IonicContact OD2-NE 3.73Å; D1028-R1030 PolarHBondContact OD2-NE 3.21Å; D1028-A1043 WeakPolarHBondContact O-CA 3.48Å; D1028-T1044 PolarHBondContact N-O 3.23Å; D1028-T1044 PolarHBondContact O-N 2.62Å
1029Y93.5Very high87.2Confident4 Ų432.4 Ų32.42%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-99.6142.9173.1-68.9-103.7000109L557 R611 I622 T624 F1008 N1009 L1027 I1042 A1043L557-Y1029 HydrophobicContact CD2-CE2 4.23Å; L557-Y1029 WeakPolarHBondContact CD2-OH 3.43Å; R611-Y1029 VanDerWaalsContact CG-O 3.26Å; R611-Y1029 WeakPolarHBondContact CG-O 3.43Å; I622-Y1029 HydrophobicContact CD1-CD1 4.17Å; I622-Y1029 HydrophobicContact CD1-CG 3.94Å; T624-Y1029 HydrophobicContact CG2-CD2 3.68Å; T624-Y1029 HydrophobicContact CG2-CE2 4.07Å; T624-Y1029 HydrophobicContact CG2-CG 4.31Å; F1008-Y1029 AromaticContact CD1-CE1 4Å; F1008-Y1029 HydrophobicContact CD1-CE1 4Å; F1008-Y1029 HydrophobicContact CE1-CD1 4.21Å; F1008-Y1029 AromaticContact CE1-CE1 3.73Å; F1008-Y1029 HydrophobicContact CE1-CE1 3.73Å; N1009-Y1029 WeakPolarHBondContact OD1-CE1 3.09Å; N1009-Y1029 PolarHBondContact OD1-OH 2.95Å; L1027-Y1029 HydrophobicContact CD1-CE2 4.18Å; L1027-Y1029 HydrophobicContact CD2-CE2 3.59Å; L1027-Y1029 HydrophobicContact CG-CD2 4.2Å; L1027-Y1029 HydrophobicContact CG-CE2 3.58Å; Y1029-I1042 CarbonylContact C-O 3.54Å; Y1029-I1042 WeakPolarHBondContact CA-O 3.36Å; Y1029-A1043 HydrophobicContact CD1-CB 3.94Å; Y1029-A1043 HydrophobicContact CE1-CB 4.04Å; Y1029-A1043 HydrophobicContact CG-CB 4.36Å
1030R91.4Very high87.4Confident23 Ų2328.3 Ų28.39%0.08715%0.152CC..EExtended strand (participates in β ladder)trans-130.6148.2172.4-60.5175.2177.3-125.8-0.2109.3D1028 I1042 L1236 S1237 E1238D1028-R1030 IonicContact OD2-NE 3.73Å; D1028-R1030 PolarHBondContact OD2-NE 3.21Å; R1030-I1042 HydrophobicContact CB-CB 4.31Å; R1030-I1042 PolarHBondContact N-O 2.86Å; R1030-I1042 PolarHBondContact O-N 3.15Å; R1030-L1236 PolarHBondContact NH2-O 3.46Å; R1030-S1237 VanDerWaalsContact NH2-C 3.31Å; R1030-S1237 PolarHBondContact NH2-O 3Å; R1030-E1238 IonicContact CZ-OE2 3.51Å; R1030-E1238 IonicContact NH1-OE2 2.66Å; R1030-E1238 PolarHBondContact NH1-OE2 3.09Å
1031L92.2Very high87.7Confident17 Ų1725.8 Ų25.89%0.08914%0.139CC..EExtended strand (participates in β ladder)trans-120.7141175.2-59.1179.6000107.9A613 A620 I622 I1039 I1041A613-L1031 HydrophobicContact CB-CB 3.59Å; A620-L1031 HydrophobicContact CB-CD1 4.1Å; I622-L1031 HydrophobicContact CB-CD1 3.94Å; I622-L1031 HydrophobicContact CG2-CD1 3.6Å; I622-L1031 HydrophobicContact CG2-CG 3.81Å; L1031-I1039 HydrophobicContact CB-CD1 4.41Å; L1031-I1039 HydrophobicContact CD1-CD1 4.33Å; L1031-I1039 HydrophobicContact CD2-CD1 3.98Å; L1031-I1039 HydrophobicContact CG-CD1 4.47Å; L1031-I1041 HydrophobicContact CD2-CB 4.46Å; L1031-I1041 HydrophobicContact CD2-CG1 3.74Å
1032S89.7Confident87.9Confident37 Ų3723.8 Ų23.826%0.25913%0.126SC..EExtended strand (participates in β ladder)trans-144.9155.3167.942.50000108.1I1039 Q1040S1032-I1039 WeakPolarHBondContact O-CG1 3.23Å; S1032-Q1040 PolarHBondContact N-O 2.73Å; S1032-Q1040 PolarHBondContact O-N 3.06Å; S1032-Q1040 PolarHBondContact OG-OE1 3Å; S1032-Q1040 VanDerWaalsContact OG-OE1 3.08Å
1033F89Confident88.1Confident38 Ų3823.8 Ų23.817%0.16713%0.126CC..EExtended strand (participates in β ladder)trans-99.4144164.6-72.7-87.8000108.5A613 V614 G615 M618 A620 L840 I1039A613-F1033 HydrophobicContact CB-CD2 3.99Å; A613-F1033 HydrophobicContact CB-CE2 4.01Å; V614-F1033 VanDerWaalsContact C-CD2 3.43Å; G615-F1033 VanDerWaalsContact N-CD2 3.29Å; M618-F1033 HydrophobicContact CB-CE1 4.06Å; M618-F1033 HydrophobicContact CB-CZ 3.86Å; A620-F1033 HydrophobicContact CB-CE2 3.94Å; A620-F1033 HydrophobicContact CB-CZ 3.85Å; L840-F1033 HydrophobicContact CD1-CE1 4.41Å; F1033-I1039 HydrophobicContact CD1-CB 4.29Å; F1033-I1039 HydrophobicContact CD1-CG1 4.46Å; F1033-I1039 HydrophobicContact CE1-CB 4.05Å; F1033-I1039 HydrophobicContact CE1-CG1 4.22Å; F1033-I1039 HydrophobicContact CZ-CD1 4.32Å; F1033-I1039 HydrophobicContact CZ-CG1 4.33Å
1034T84.2Confident88.2Confident20 Ų2023.5 Ų23.512%0.12313%0.125CC..  trans-92.7168.8172.767.60000111.1D1036 E1037 H1038 Q1040T1034-D1036 PolarHBondContact O-N 3.45Å; T1034-D1036 VanDerWaalsContact O-N 3.08Å; T1034-D1036 PolarHBondContact OG1-N 2.77Å; T1034-E1037 WeakPolarHBondContact O-CA 3.31Å; T1034-E1037 PolarHBondContact O-N 3.33Å; T1034-H1038 PolarHBondContact N-O 3.49Å; T1034-H1038 PolarHBondContact OG1-N 2.78Å; T1034-H1038 PolarHBondContact OG1-O 3.44Å; T1034-Q1040 HydrophobicContact CG2-CB 4.11Å
1035D77.3Confident88.1Confident110 Ų11023.7 Ų23.759%0.58813%0.127SC*.THydrogen-bonded Turntrans-58.6-16.9174.2-39.7-14.5000114.1E1037 T1245D1035-E1037 VanDerWaalsContact C-N 3.33Å; D1035-T1245 HydrophobicContact CB-CG2 4.18Å
1036D75.8Confident88Confident76 Ų7624.1 Ų24.141%0.40613%0.13SC..THydrogen-bonded Turntrans-93.914.7173-87.91.1000111.9T1034 H1038 T1245T1034-D1036 PolarHBondContact O-N 3.45Å; T1034-D1036 VanDerWaalsContact O-N 3.08Å; T1034-D1036 PolarHBondContact OG1-N 2.77Å; D1036-H1038 PolarHBondContact O-N 2.96Å; D1036-H1038 PolarHBondContact O-ND1 3.43Å; D1036-T1245 HydrophobicContact CB-CG2 3.72Å; D1036-T1245 VanDerWaalsContact CG-OG1 3.28Å; D1036-T1245 WeakPolarHBondContact OD1-CB 3.3Å; D1036-T1245 WeakPolarHBondContact OD1-CG2 3.43Å; D1036-T1245 PolarHBondContact OD1-OG1 3.03Å; D1036-T1245 WeakPolarHBondContact OD2-CB 3.38Å; D1036-T1245 WeakPolarHBondContact OD2-CG2 3.5Å
1037E78.6Confident88.1Confident66 Ų6623.3 Ų23.331%0.30812%0.122SC..SBendtrans56.713-174-54.6-156.988.100115.8E616 Y617 T1034 D1035E616-E1037 WeakPolarHBondContact CB-OE1 3.5Å; Y617-E1037 VanDerWaalsContact CD2-CD 3.45Å; Y617-E1037 WeakPolarHBondContact CD2-OE1 3.16Å; Y617-E1037 WeakPolarHBondContact CD2-OE2 3.27Å; Y617-E1037 WeakPolarHBondContact CE2-OE1 3.17Å; Y617-E1037 WeakPolarHBondContact CE2-OE2 3.23Å; T1034-E1037 WeakPolarHBondContact O-CA 3.31Å; T1034-E1037 PolarHBondContact O-N 3.33Å; D1035-E1037 VanDerWaalsContact C-N 3.33Å
1038H86.6Confident87.6Confident54 Ų5423.4 Ų23.425%0.2512%0.123CC..EExtended strand (participates in β ladder)trans-73.9134174.4-71.443.9000108.8T838 E839 T1034 D1036 Q1040T838-H1038 CarbonylContact O-C 3.59Å; T838-H1038 WeakPolarHBondContact O-CA 3.28Å; E839-H1038 PolarHBondContact N-CD2 3.36Å; T1034-H1038 PolarHBondContact N-O 3.49Å; T1034-H1038 PolarHBondContact OG1-N 2.78Å; T1034-H1038 PolarHBondContact OG1-O 3.44Å; D1036-H1038 PolarHBondContact O-N 2.96Å; D1036-H1038 PolarHBondContact O-ND1 3.43Å; H1038-Q1040 PolarHBondContact O-N 2.94Å
1039I90.4Very high87.1Confident0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-73127168.3-157178000108.7A620 E837 T838 L840 L1001 L1031 S1032 F1033 I1041A620-I1039 HydrophobicContact CB-CD1 3.61Å; E837-I1039 WeakPolarHBondContact CA-O 3.48Å; T838-I1039 HydrophobicContact CG2-CG2 3.83Å; T838-I1039 PolarHBondContact N-O 3.23Å; T838-I1039 PolarHBondContact O-N 3.46Å; L840-I1039 HydrophobicContact CD1-CB 3.9Å; L840-I1039 HydrophobicContact CD1-CD1 4.06Å; L840-I1039 HydrophobicContact CD1-CG2 3.79Å; L840-I1039 HydrophobicContact CD2-CG2 3.82Å; L840-I1039 HydrophobicContact CG-CB 4.04Å; L840-I1039 HydrophobicContact CG-CG2 3.63Å; L1001-I1039 HydrophobicContact CD1-CD1 3.64Å; L1031-I1039 HydrophobicContact CB-CD1 4.41Å; L1031-I1039 HydrophobicContact CD1-CD1 4.33Å; L1031-I1039 HydrophobicContact CD2-CD1 3.98Å; L1031-I1039 HydrophobicContact CG-CD1 4.47Å; S1032-I1039 WeakPolarHBondContact O-CG1 3.23Å; F1033-I1039 HydrophobicContact CD1-CB 4.29Å; F1033-I1039 HydrophobicContact CD1-CG1 4.46Å; F1033-I1039 HydrophobicContact CE1-CB 4.05Å; F1033-I1039 HydrophobicContact CE1-CG1 4.22Å; F1033-I1039 HydrophobicContact CZ-CD1 4.32Å; F1033-I1039 HydrophobicContact CZ-CG1 4.33Å; I1039-I1041 HydrophobicContact CG2-CD1 4.4Å; I1039-I1041 HydrophobicContact CG2-CG1 4.45Å
1040Q90.6Very high86.1Confident1 Ų125.5 Ų25.51%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-100.1114.3171.5-174.1-175.675.800108.1V835 E837 S1032 T1034 H1038 I1042V835-Q1040 HydrophobicContact CG1-CG 3.64Å; E837-Q1040 HydrophobicContact CG-CB 4.05Å; E837-Q1040 HydrophobicContact CG-CG 3.84Å; E837-Q1040 PolarHBondContact OE1-NE2 3Å; S1032-Q1040 PolarHBondContact N-O 2.73Å; S1032-Q1040 PolarHBondContact O-N 3.06Å; S1032-Q1040 PolarHBondContact OG-OE1 3Å; S1032-Q1040 VanDerWaalsContact OG-OE1 3.08Å; T1034-Q1040 HydrophobicContact CG2-CB 4.11Å; H1038-Q1040 PolarHBondContact O-N 2.94Å; Q1040-I1042 HydrophobicContact CG-CG1 4.16Å
1041I93.2Very high84.9Confident0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-97.2117174.1-64.8157.8000107V835 H836 A1004 L1005 F1008 L1031 I1039V835-I1041 WeakPolarHBondContact CA-O 3.37Å; H836-I1041 PolarHBondContact N-O 3.48Å; H836-I1041 PolarHBondContact O-N 2.88Å; A1004-I1041 HydrophobicContact CB-CD1 3.81Å; L1005-I1041 HydrophobicContact CD2-CB 4.44Å; L1005-I1041 HydrophobicContact CD2-CD1 3.65Å; L1005-I1041 HydrophobicContact CD2-CG1 3.92Å; L1005-I1041 HydrophobicContact CD2-CG2 3.65Å; L1005-I1041 HydrophobicContact CG-CD1 3.9Å; F1008-I1041 HydrophobicContact CD1-CG2 4.05Å; F1008-I1041 HydrophobicContact CD2-CG2 4.23Å; F1008-I1041 HydrophobicContact CE1-CG2 4.06Å; F1008-I1041 HydrophobicContact CE2-CG2 4.19Å; F1008-I1041 HydrophobicContact CG-CG2 4.11Å; F1008-I1041 HydrophobicContact CZ-CG2 4.1Å; L1031-I1041 HydrophobicContact CD2-CB 4.46Å; L1031-I1041 HydrophobicContact CD2-CG1 3.74Å; I1039-I1041 HydrophobicContact CG2-CD1 4.4Å; I1039-I1041 HydrophobicContact CG2-CG1 4.45Å
1042I91.8Very high82.8Confident3 Ų330.6 Ų30.62%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-108.5128.3172.3-50.3-173.8000107.7I833 R834 V835 Y1029 R1030 Q1040 T1044 V1239 V1241I833-I1042 HydrophobicContact CD1-CG2 4.01Å; I833-I1042 HydrophobicContact CG1-CG2 3.93Å; R834-I1042 CarbonylContact O-C 3.57Å; R834-I1042 WeakPolarHBondContact O-CA 3.21Å; V835-I1042 HydrophobicContact CG1-CG1 4.5Å; V835-I1042 HydrophobicContact CG2-CB 4.33Å; V835-I1042 HydrophobicContact CG2-CD1 4.37Å; V835-I1042 HydrophobicContact CG2-CG1 3.89Å; V835-I1042 HydrophobicContact CG2-CG2 4.09Å; Y1029-I1042 CarbonylContact C-O 3.54Å; Y1029-I1042 WeakPolarHBondContact CA-O 3.36Å; R1030-I1042 HydrophobicContact CB-CB 4.31Å; R1030-I1042 PolarHBondContact N-O 2.86Å; R1030-I1042 PolarHBondContact O-N 3.15Å; Q1040-I1042 HydrophobicContact CG-CG1 4.16Å; I1042-T1044 HydrophobicContact CG2-CG2 4.23Å; I1042-V1239 HydrophobicContact CD1-CG1 3.86Å; I1042-V1239 HydrophobicContact CG2-CG1 4.34Å; I1042-V1241 HydrophobicContact CD1-CG2 3.79Å
1043A92.1Very high80.1Confident1 Ų133.4 Ų33.41%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-117.3134.7161.900000110.6F832 R834 F1008 L1027 D1028 Y1029F832-A1043 HydrophobicContact CE2-CB 4.5Å; R834-A1043 PolarHBondContact N-O 2.86Å; R834-A1043 PolarHBondContact O-N 3.05Å; F1008-A1043 HydrophobicContact CE1-CB 3.48Å; F1008-A1043 VanDerWaalsContact CE1-CB 3.48Å; F1008-A1043 HydrophobicContact CZ-CB 3.5Å; F1008-A1043 VanDerWaalsContact CZ-CB 3.5Å; L1027-A1043 HydrophobicContact CD1-CB 4.49Å; D1028-A1043 WeakPolarHBondContact O-CA 3.48Å; Y1029-A1043 HydrophobicContact CD1-CB 3.94Å; Y1029-A1043 HydrophobicContact CE1-CB 4.04Å; Y1029-A1043 HydrophobicContact CG-CB 4.36Å
1044T89.8Confident77.2Confident10 Ų1035.6 Ų35.66%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-117.2149172.564.80000108.7F832 I833 L1027 D1028 I1042 L1236 V1239F832-T1044 WeakPolarHBondContact O-CA 3.43Å; I833-T1044 HydrophobicContact CD1-CG2 4.4Å; I833-T1044 HydrophobicContact CG1-CG2 4.24Å; L1027-T1044 WeakPolarHBondContact CA-O 3.46Å; D1028-T1044 PolarHBondContact N-O 3.23Å; D1028-T1044 PolarHBondContact O-N 2.62Å; I1042-T1044 HydrophobicContact CG2-CG2 4.23Å; T1044-L1236 HydrophobicContact CG2-CD1 3.77Å; T1044-V1239 HydrophobicContact CG2-CG2 4.36Å
1045G87.5Confident74.7Confident6 Ų640.8 Ų40.86%0.06223%0.231CC..EExtended strand (participates in β ladder)trans176.8174.7179.300000111.4F832F832-G1045 VanDerWaalsContact CD1-O 3.25Å; F832-G1045 WeakPolarHBondContact CD1-O 3.46Å; F832-G1045 VanDerWaalsContact CE1-C 3.46Å; F832-G1045 PolarHBondContact N-O 2.84Å; F832-G1045 PolarHBondContact O-N 2.96Å
1046M85.5Confident72.2Confident9 Ų941.7 Ų41.74%0.04424%0.24CC..EExtended strand (participates in β ladder)trans-126.9123-173.4-64.2-67.3-69.700109.6S831 I1024 N1025 L1169 P1171 Y1234S831-M1046 WeakPolarHBondContact CA-SD 3.46Å; S831-M1046 WeakPolarHBondContact CB-SD 3.42Å; I1024-M1046 WeakPolarHBondContact CA-O 3.36Å; N1025-M1046 PolarHBondContact N-O 2.77Å; N1025-M1046 PolarHBondContact O-N 3.2Å; N1025-M1046 VanDerWaalsContact O-N 3.14Å; M1046-L1169 WeakPolarHBondContact CE-O 3.45Å; M1046-P1171 HydrophobicContact CB-CB 4.08Å; M1046-P1171 HydrophobicContact CB-CG 3.53Å; M1046-P1171 HydrophobicContact CG-CB 3.8Å; M1046-P1171 HydrophobicContact CG-CG 3.78Å; M1046-Y1234 HydrophobicContact CE-CD1 3.77Å; M1046-Y1234 HydrophobicContact CE-CE1 4.19Å; M1046-Y1234 HydrophobicContact SD-CD1 3.72Å; M1046-Y1234 HydrophobicContact SD-CE1 3.81Å
1047I87.3Confident69.8Low3 Ų348.8 Ų48.82%0.01526%0.261CS..EExtended strand (participates in β ladder)trans-88.4117.9177.8-58.5144.6000108.1S829 N830 F832 F1016 Y1019 C1022 I1023 I1024S829-I1047 VanDerWaalsContact CA-O 3.32Å; S829-I1047 WeakPolarHBondContact CA-O 3.5Å; N830-I1047 PolarHBondContact N-O 3.18Å; N830-I1047 PolarHBondContact O-N 3.48Å; F832-I1047 HydrophobicContact CD1-CD1 3.73Å; F832-I1047 HydrophobicContact CD1-CG1 3.84Å; F832-I1047 HydrophobicContact CE1-CD1 4.44Å; F832-I1047 HydrophobicContact CE1-CG1 4.12Å; F832-I1047 HydrophobicContact CG-CD1 4.48Å; F1016-I1047 HydrophobicContact CD1-CD1 3.49Å; F1016-I1047 VanDerWaalsContact CD1-CD1 3.49Å; F1016-I1047 HydrophobicContact CD1-CG1 4.47Å; F1016-I1047 HydrophobicContact CD2-CD1 4.18Å; F1016-I1047 HydrophobicContact CE1-CD1 3.38Å; F1016-I1047 HydrophobicContact CE2-CD1 4.05Å; F1016-I1047 HydrophobicContact CG-CD1 3.93Å; F1016-I1047 HydrophobicContact CG-CG1 4.47Å; F1016-I1047 HydrophobicContact CZ-CD1 3.68Å; Y1019-I1047 HydrophobicContact CG-CG2 4.46Å; C1022-I1047 HydrophobicContact CB-CG2 4.23Å; I1023-I1047 CarbonylContact O-C 3.56Å; I1023-I1047 WeakPolarHBondContact O-CA 3.37Å; I1024-I1047 HydrophobicContact CD1-CG1 4.29Å; I1024-I1047 HydrophobicContact CG1-CG1 3.93Å
1048L82.9Confident67.2Low8 Ų853 Ų534%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-97.8121.8165.9-62172.1000107.7Y827 C1022 I1023 L1172Y827-L1048 HydrophobicContact CD1-CB 4.28Å; C1022-L1048 WeakPolarHBondContact CB-O 3.29Å; I1023-L1048 HydrophobicContact CB-CB 4.38Å; I1023-L1048 PolarHBondContact N-O 3.48Å; I1023-L1048 PolarHBondContact O-N 3.15Å; L1048-L1172 HydrophobicContact CD1-CD1 3.98Å; L1048-L1172 HydrophobicContact CD1-CD2 4.18Å; L1048-L1172 HydrophobicContact CD1-CG 4.24Å; L1048-L1172 HydrophobicContact CD2-CD1 4.48Å
1049H80.3Confident64.3Low30 Ų3056.9 Ų56.914%0.13931%0.309CS..EExtended strand (participates in β ladder)trans-129.3148.5173.977.9-69.1000111.5Y827 Q828 Y1019 C1022 T1051Y827-H1049 WeakPolarHBondContact CA-O 3.37Å; Q828-H1049 PolarHBondContact N-O 2.82Å; Q828-H1049 VanDerWaalsContact N-O 3.15Å; Q828-H1049 PolarHBondContact O-N 3.09Å; Q828-H1049 PolarHBondContact O-ND1 3.43Å; Y1019-H1049 HydrophobicContact CD1-CB 4.32Å; Y1019-H1049 AromaticContact CD1-CD2 3.79Å; Y1019-H1049 AromaticContact CD1-CG 3.84Å; Y1019-H1049 AromaticContact CD1-NE2 3.96Å; C1022-H1049 HydrophobicContact CB-CB 3.95Å; H1049-T1051 PolarHBondContact O-N 2.75Å
1050P72.9Confident61.3Low23 Ų2365.7 Ų65.715%0.14935%0.35CS..EExtended strand (participates in β ladder)trans-53.4125169.6-28.237.8000112.2W825 P1021 N1052W825-P1050 HydrophobicContact CE3-CB 3.47Å; W825-P1050 VanDerWaalsContact CE3-CB 3.47Å; W825-P1050 HydrophobicContact CE3-CG 3.52Å; W825-P1050 HydrophobicContact CZ3-CB 3.49Å; W825-P1050 VanDerWaalsContact CZ3-CB 3.49Å; W825-P1050 HydrophobicContact CZ3-CG 3.37Å; P1021-P1050 WeakPolarHBondContact O-CD 3.34Å; P1050-N1052 PolarHBondContact O-N 3.03Å
1051T64.3Low58.2Low46 Ų4674.7 Ų74.728%0.28239%0.389SS..  trans-82.5103.8158.7660000108.4N826 Q828 H1049 S1053N826-T1051 VanDerWaalsContact CB-OG1 3.3Å; N826-T1051 WeakPolarHBondContact CB-OG1 3.47Å; N826-T1051 PolarHBondContact O-N 3.35Å; N826-T1051 PolarHBondContact O-OG1 3.06Å; Q828-T1051 HydrophobicContact CB-CG2 3.64Å; H1049-T1051 PolarHBondContact O-N 2.75Å; T1051-S1053 PolarHBondContact O-N 2.77Å
1052N49.3Very low55Low101 Ų10182.8 Ų82.854%0.5443%0.426SS..  trans-64.4103.3167.8-77.5-10.5000108.7P1050 S1054P1050-N1052 PolarHBondContact O-N 3.03Å; N1052-S1054 PolarHBondContact O-N 2.92Å
1053S32.3Very low51.8Low97 Ų9791.9 Ų91.968%0.67847%0.469SS*.THydrogen-bonded Turntrans-68.210.7178.751.50000114.4T1051T1051-S1053 PolarHBondContact O-N 2.77Å
1054S28.4Very low48.5Very low84 Ų8498.6 Ų98.659%0.58751%0.51SS*.THydrogen-bonded Turntrans-109.8-2.8-175.952.50000115.1N1052N1052-S1054 PolarHBondContact O-N 2.92Å
1055I31.3Very low45.4Very low129 Ų129105.5 Ų105.566%0.66254%0.543SS*.  trans-104.152.3175.1-43.3-177.7000111.4
1056T25Very low42.3Very low128 Ų128111.9 Ų111.979%0.78557%0.569SS**SBendtrans-136.347.9162.457.70000111.6
1057R25.8Very low39.5Very low226 Ų226118.3 Ų118.385%0.85360%0.604SS**SBendtrans-158.4116.3160.9-103.4159.1-168.9-1733.6107.8
1058N24.1Very low36.7Very low153 Ų153121.9 Ų121.982%0.81863%0.634SS**SBendtrans62.182.6178.6-51.1-19.4000115.2
1059D26.4Very low33.9Very low137 Ų137130.8 Ų130.873%0.73368%0.675SS**  trans-170.832136.6-95.8-19000114.7K1061D1059-K1061 PolarHBondContact O-N 3.47Å
1060E26.5Very low31.4Very low184 Ų184134.8 Ų134.886%0.8671%0.707SS**THydrogen-bonded Turntrans-77.355.6160.1-72.8-166.2142.200110.7
1061K26.1Very low29.3Very low190 Ų190140.1 Ų140.183%0.82673%0.734SS**THydrogen-bonded Turntrans-157.622176.3-121.6172.3-168.7-178.70117.6D1059D1059-K1061 PolarHBondContact O-N 3.47Å
1062Q24.5Very low27.6Very low170 Ų170145 Ų14579%0.79476%0.758SS**SBendtrans-155.993.1168.7-111.9162.872.400111.8
1063H25.1Very low26.7Very low195 Ų195144.7 Ų144.790%0.90376%0.764SS**  trans177.254.8145.9-97.3-62.2000111.7
1064T23.7Very low26.5Very low141 Ų141145.2 Ų145.287%0.86577%0.768SS**  trans-12979.616751.70000109.9
1065M24.9Very low26.6Very low156 Ų156146.1 Ų146.177%0.76877%0.774SS**  trans-165.1102.5156.4-118178.1155.700112
1066F22.4Very low26.3Very low140 Ų140144.9 Ų144.961%0.61478%0.777SS**  trans-135.178.8140.6-111.4-79.7000108N875N875-F1066 HydrophobicContact CB-CD1 4.27Å; N875-F1066 HydrophobicContact CB-CD2 4.33Å; N875-F1066 HydrophobicContact CB-CE1 3.77Å; N875-F1066 HydrophobicContact CB-CE2 3.86Å; N875-F1066 HydrophobicContact CB-CZ 3.58Å; N875-F1066 VanDerWaalsContact CG-CE2 3.5Å; N875-F1066 WeakPolarHBondContact ND2-CE2 3.19Å; N875-F1066 WeakPolarHBondContact ND2-CZ 3.19Å
1067N26.4Very low26.6Very low143 Ų143145 Ų14577%0.76578%0.778SS**SBendtrans-160.2138.6151.4-126-0.1000111.1
1068A28Very low26.5Very low79 Ų79138.9 Ų138.965%0.65377%0.77SS**  trans45.5120.6163.400000119.6
1069Q23.3Very low26.8Very low194 Ų194138.3 Ų138.391%0.90777%0.767SS**  trans-62.3128.6155.7-65.5154.1-58.200110.1
1070S29.2Very low26.8Very low114 Ų114138 Ų13880%0.79777%0.765SS**  trans-143.3126.814957.30000107.2
1071N27.8Very low27Very low135 Ų135136 Ų13672%0.72276%0.76SS**  trans-72.9167.7-173-67.4-18.5000112.8
1072D30Very low27.1Very low148 Ų148133 Ų13379%0.79175%0.753SS**  trans71.4145.1156.9-50.9-37.6000118.1
1073S30Very low27.4Very low96 Ų96133.2 Ų133.267%0.67175%0.754SS**  cis-166.4157.6-39.943.70000107
1074S27.5Very low27.5Very low108 Ų108131.7 Ų131.776%0.75575%0.752SS**  trans29.4141.4155.649.70000121.7
1075S30.2Very low27.8Very low103 Ų103130.7 Ų130.772%0.7275%0.751SS**  cis-174.7165.28.441.80000110.9
1076S25.1Very low28Very low103 Ų103131.1 Ų131.172%0.7276%0.756SS**  trans-11.7144.4158.953.20000118.7
1077T30.5Very low28.3Very low130 Ų130129.5 Ų129.580%0.79876%0.762SS**  -171.4160.168.9-53.20000113.3
1078S25.5Very low28.4Very low98 Ų98129.8 Ų129.869%0.68577%0.769SS**  trans-48.7162.6-176.2-36.20000121.9
1079N28.8Very low28.4Very low141 Ų141128.9 Ų128.975%0.75477%0.767SS**  trans115.7115.6138.7-74.8-4.8000121
1080N28.1Very low28.8Very low130 Ų130126.2 Ų126.270%0.69576%0.76SS**  trans80126132.5-69.4-4.3000123.9
1081N30.2Very low28.9Very low143 Ų143128.9 Ų128.977%0.76576%0.757SS**  trans88.5122.6138.9-64.2-10000122.3
1082N27.5Very low29Very low125 Ų125128.6 Ų128.667%0.66876%0.755SS**  trans-13.9143.6151.3-49.8-28.7000116.6
1083H31.1Very low29.3Very low176 Ų176127.3 Ų127.382%0.81575%0.753SS**  -167.216559.2-100.3-78.2000112.5
1084N27.3Very low29.2Very low163 Ų163129.3 Ų129.387%0.87276%0.756SS**  trans-91.3144.7166-88.32.3000111.6
1085S30.9Very low29.6Very low119 Ų119131.7 Ų131.783%0.83276%0.76SS**  trans-164.3143.3135.950.90000111.8
1086N28.1Very low29.7Very low165 Ų165133.9 Ų133.988%0.88276%0.764SS**  trans-87.3157.4172.5-66.3-23.2000110.6
1087S29.6Very low30.1Very low106 Ų106136.3 Ų136.374%0.74177%0.769SS**  166.3111.5125.6179.30000115.6
1088V27.8Very low30.1Very low149 Ų149137 Ų13790%0.90377%0.768SS**  trans55.3134.7131.7-1710000122.8
1089G28.2Very low30.3Very low60 Ų60135.8 Ų135.862%0.61976%0.763SS**  trans137.4129.6163.900000110
1090N31.1Very low30.3Very low139 Ų139136.4 Ų136.474%0.74377%0.766SS**  cis-160.115612.5-1021.6000109.8
1091F30.7Very low30.3Very low170 Ų170134 Ų13475%0.74677%0.773SS**  trans46.5144.8141-65.4-119.1000119.2
1092D30.9Very low30.3Very low128 Ų128138 Ų13868%0.68478%0.777SS**  cis-167.4155.316-118.6-15000112.2
1093V35.5Very low30.4Very low121 Ų121141.4 Ų141.473%0.73379%0.786SS**  trans66.6140.8144.1-179.50000122.9
1094D28.6Very low30.3Very low139 Ų139136.4 Ų136.474%0.74378%0.776SS**  trans-70.6175.5178.4-43-86.7000113.6
1095D36.9Very low30.3Very low157 Ų157133.9 Ų133.984%0.8477%0.77SS**  -168.7174.357.2-114.2-35.2000112.5
1096D31.3Very low30.2Very low149 Ų149132.9 Ų132.980%0.79776%0.755SS**  trans-67.8159.4-178.7-77.5-53.8000116.4
1097D33.4Very low30.1Very low155 Ų155133.6 Ų133.683%0.82975%0.75SS**  166.1162.699.6-131.1-22.7000117.3
1098N29.8Very low30Very low145 Ų145136.6 Ų136.678%0.77576%0.758SS**  trans-65.1156.2-161.7-118.8-48.5000122.6
1099A31.2Very low29.9Very low72 Ų72140.6 Ų140.660%0.59576%0.757SS**  83.3121.5127.800000125.3
1100N27.7Very low29.8Very low153 Ų153142.7 Ų142.782%0.81876%0.762SS**  trans91.3108.6132.2-78.2-38.7000122.9
1101G29.5Very low29.6Very low81 Ų81144.8 Ų144.884%0.83576%0.764SS**  trans-156.2100.5154.500000112.5
1102R29.2Very low29.2Very low225 Ų225146.1 Ų146.185%0.84977%0.77SS**  trans-77.5152175.1-60.2169.4171.2159.4-5.6109.5
1103K28.8Very low28.9Very low197 Ų197148.3 Ų148.386%0.85778%0.776SS**  -171.7156.458.3-76.7178.1177.3171.40113.8
1104A29.8Very low28.4Very low72 Ų72149 Ų14960%0.59578%0.775SS**  trans74.486.9140.200000123.1
1105S26.5Very low28.2Very low109 Ų109150.7 Ų150.776%0.76278%0.778SS**  26.5121.8121.7-172.60000121.2
1106I30.2Very low27.7Very low99 Ų99151.1 Ų151.151%0.50877%0.772SS.*  -141.6130.1126.4-76.5106.2000110.5L912 L913L912-I1106 HydrophobicContact CD1-CG1 4.03Å; L912-I1106 HydrophobicContact CD1-CG2 4.21Å; L912-I1106 HydrophobicContact CD2-CD1 3.85Å; L912-I1106 HydrophobicContact CD2-CG1 3.73Å; L913-I1106 HydrophobicContact CD2-CD1 4.1Å
1107K24.6Very low27.5Very low180 Ų180149.3 Ų149.378%0.78377%0.768SS**  trans10.8112.6153.7-55.8173.8-177.4177.60117.6
1108N28.9Very low27.2Very low169 Ų169145.7 Ų145.790%0.90475%0.752SS**  trans-145.2135.1132.3-117.9-27.6000112.7S1110N1108-S1110 PolarHBondContact O-N 2.92Å
1109R26Very low27.2Very low233 Ų233144.8 Ų144.888%0.87975%0.747SS**  trans-50.9130.2179.9-95.2167156.4167-8.7111.8K1111R1109-K1111 PolarHBondContact O-N 3Å; R1109-K1111 VanDerWaalsContact O-N 3.15Å
1110S25.3Very low27Very low103 Ų103149.1 Ų149.172%0.7276%0.759SS**  trans-63110.2152.740.60000108.8N1108 F1112N1108-S1110 PolarHBondContact O-N 2.92Å; S1110-F1112 PolarHBondContact O-N 3.19Å
1111K26.3Very low27.1Very low183 Ų183145.4 Ų145.480%0.79675%0.745SS**  trans-70.4108.4165.4-82.8-179176.11760107.7R1109 H1113R1109-K1111 PolarHBondContact O-N 3Å; R1109-K1111 VanDerWaalsContact O-N 3.15Å; K1111-H1113 PolarHBondContact O-N 3.46Å
1112F21.9Very low27.1Very low198 Ų198150.4 Ų150.487%0.86874%0.738SS**  trans-54.4110.7159.6-83-101.9000108.2S1110 L1114S1110-F1112 PolarHBondContact O-N 3.19Å; F1112-L1114 PolarHBondContact O-N 2.91Å; F1112-L1114 VanDerWaalsContact O-N 3.15Å
1113H25.9Very low27.1Very low175 Ų175147.4 Ų147.481%0.8174%0.739SS**  trans-78.697166-101.6-75.2000108.2K1111 H1115K1111-H1113 PolarHBondContact O-N 3.46Å; H1113-H1115 PolarHBondContact O-N 3.35Å; H1113-H1115 VanDerWaalsContact O-N 3.13Å
1114L24.4Very low27.1Very low136 Ų136147.5 Ų147.571%0.71274%0.739SS**  trans-52.8113.3174.7-17173.1000109.8F1112 K1116F1112-L1114 PolarHBondContact O-N 2.91Å; F1112-L1114 VanDerWaalsContact O-N 3.15Å; L1114-K1116 PolarHBondContact O-N 3.03Å; L1114-K1116 VanDerWaalsContact O-N 3.1Å
1115H25.3Very low26.9Very low173 Ų173147.1 Ų147.180%0.80173%0.732SS**  trans-67.8107.5173.4-115.6-71.6000108.6H1113H1113-H1115 PolarHBondContact O-N 3.35Å; H1113-H1115 VanDerWaalsContact O-N 3.13Å
1116K25.8Very low27Very low167 Ų167148.7 Ų148.773%0.72673%0.732SS**  trans-57.1136.5165.8-78.5180173.5177.70108.9L1114 T1118L1114-K1116 PolarHBondContact O-N 3.03Å; L1114-K1116 VanDerWaalsContact O-N 3.1Å; K1116-T1118 PolarHBondContact O-N 2.99Å
1117P27.4Very low26.8Very low110 Ų110151 Ų15171%0.71474%0.744SS**  trans-72.389.2174.329.4-33.7000110.1L1119P1117-L1119 PolarHBondContact O-N 2.87Å
1118T26.8Very low26.7Very low80 Ų80151 Ų15149%0.49175%0.745SS.*  trans-82.551.8171.440.10000111.6K1116 L1120K1116-T1118 PolarHBondContact O-N 2.99Å; T1118-L1120 VanDerWaalsContact C-N 3.28Å; T1118-L1120 PolarHBondContact O-N 3.37Å
1119L29.1Very low26.6Very low125 Ų125148 Ų14865%0.65474%0.737SS**THydrogen-bonded Turntrans-81.80.4177.8-93.2170.5000114.5P1117P1117-L1119 PolarHBondContact O-N 2.87Å
1120L28.1Very low26.5Very low164 Ų164149.1 Ų149.186%0.85974%0.741SS**THydrogen-bonded Turntrans-105.36.1174.7-92.2142.7000114.2T1118T1118-L1120 VanDerWaalsContact C-N 3.28Å; T1118-L1120 PolarHBondContact O-N 3.37Å
1121S28.8Very low26.4Very low74 Ų74149.1 Ų149.152%0.51774%0.741SS.*SBendtrans-125.36.2176.765.30000114.8
1122R30.3Very low26.5Very low186 Ų186148.3 Ų148.370%0.70274%0.744SS**SBendtrans-109.7-7176.3-76.6-173.4170.4-177-2.7115.2K1124 S1125R1122-K1124 VanDerWaalsContact C-N 3.34Å; R1122-S1125 PolarHBondContact O-OG 3.28Å
1123L29.8Very low26.6Very low163 Ų163142.7 Ų142.785%0.85374%0.742SS**SBendtrans-91.411.2169.9-82.4162000113.8
1124K27.9Very low26.7Very low199 Ų199143.8 Ų143.887%0.86575%0.745SS**SBendtrans-122.84.1174.9-83.9-170.7172.5-174.60114.5R1122R1122-K1124 VanDerWaalsContact C-N 3.34Å
1125S26.5Very low26.7Very low64 Ų64148.5 Ų148.545%0.44875%0.753SS.*SBendtrans-104-17.4-175.548.80000115.7R1122 L1127R1122-S1125 PolarHBondContact O-OG 3.28Å; S1125-L1127 PolarHBondContact O-N 2.9Å
1126D27.8Very low26.8Very low142 Ų142146 Ų14676%0.75975%0.75SS**SBendtrans-87.115.4-176.8-70.8-14.4000114.4
1127L25.6Very low26.9Very low147 Ų147143.3 Ų143.377%0.7775%0.748SS**SBendtrans-120.139177.1-80166000112.5S1125S1125-L1127 PolarHBondContact O-N 2.9Å
1128K23.9Very low26.9Very low181 Ų181146 Ų14679%0.78776%0.756SS**SBendtrans-156.643.3171.3-120.1170.4-167175.50115.8
1129S25.4Very low27Very low106 Ų106145.7 Ų145.774%0.74177%0.769SS**  trans-149.444.9175.456.90000115.1
1130R23.9Very low26.9Very low256 Ų256148.2 Ų148.297%0.96678%0.78SS**  trans-144.169.8171.1-129178.3-172.1-157.71.8114.7
1131S23.5Very low26.7Very low103 Ų103149 Ų14972%0.7278%0.781SS**SBendtrans-155.4145.7162.661.80000111.2
1132L28.8Very low26.8Very low165 Ų165152.8 Ų152.886%0.86479%0.794SS**  trans64.386.9176.5-66.8121000116.6
1133G24.2Very low26.7Very low80 Ų80150.8 Ų150.883%0.82580%0.797SS**  trans-66141.7142.200000109.8
1134K26.8Very low26.4Very low199 Ų199150.5 Ų150.587%0.86580%0.797SS**  trans-112.4103.5171.7-154.7174-172.8-179.90107.9
1135R24.5Very low26.4Very low235 Ų235148.2 Ų148.289%0.88779%0.794SS**  trans-83132.9167.9-86.7-178.2169.9175.6-4.4109.2
1136T28.9Very low26.5Very low121 Ų121152 Ų15274%0.74281%0.809SS**  trans-140.9104.1143.346.40000104.2
1137T27.1Very low26.4Very low109 Ų109153.3 Ų153.367%0.66981%0.814SS**  50.9101.581.866.40000109.3
1138D28.7Very low26.6Very low167 Ų167152.2 Ų152.289%0.89382%0.816SS**  -126.7166.568.1-62.7-45000113.7
1139G27.3Very low26.5Very low74 Ų74150.2 Ų150.276%0.76382%0.819SS**  cis155.976.1-1.800000111.3
1140M27.4Very low26.5Very low178 Ų178153.1 Ų153.188%0.87782%0.821SS**  trans-144.8105163.5-149.5153.284.200109.8
1141M24.9Very low26.7Very low181 Ų181149.5 Ų149.589%0.89282%0.815SS**  trans-80.8131.1170.6-72-174.2157.800109.1
1142I30.6Very low26.6Very low153 Ų153153.8 Ų153.879%0.78582%0.82SS**  trans-123.7129.4151-62.2-178.1000106.1
1143N27Very low26.2Very low144 Ų144155.2 Ų155.277%0.7782%0.823SS**  trans-53.3144.4-163.1-51.3-22.6000114.7
1144N24.5Very low26.1Very low157 Ų157157.3 Ų157.384%0.8482%0.823SS**  trans-132120.2155.3-94.8-11000107.6
1145D27.2Very low25.7Very low151 Ų151158 Ų15881%0.80783%0.826SS**  trans-161.7135.9158.9-76-40.2000102.6
1146D28.9Very low25.5Very low144 Ų144155.4 Ų155.477%0.7782%0.824SS**  cis-145.1158.912.2-80.3-63.7000110.6
1147I26.6Very low25.2Very low168 Ų168157.8 Ų157.886%0.86283%0.827SS**  trans-176.9137.5135.5-95.5154.6000108.4
1148P28Very low25Very low124 Ų124161.2 Ų161.281%0.80583%0.833SS**  trans-103.4164.1-140.238.1-36.5000117
1149T22Very low24.8Very low139 Ų139160 Ų16085%0.85383%0.825SS**  trans-94.2138.4171.98.40000112.7
1150E26.5Very low24.6Very low167 Ų167163.2 Ų163.278%0.7883%0.825SS**  trans-171.5145.4140.8-107.2177.5-16100107.3
1151Q26.6Very low24.5Very low181 Ų181164.9 Ų164.985%0.84683%0.827SS**  cis-134164.429.1-66.9176.8-20.800114
1152K22.1Very low24.4Very low192 Ų192165.7 Ų165.784%0.83583%0.829SS**  trans-87.8138.6-177.3-62.9155.9178.5158.80112.2
1153Q20.9Very low24.3Very low196 Ų196165.9 Ų165.992%0.91683%0.826SS**  trans-159.4153139.3-111.9171.526.700112.3
1154C21.4Very low25.1Very low124 Ų124164 Ų16484%0.83882%0.815SS**  trans60.386.8177.7-87.20000119.6
1155K19.2Very low26.3Very low213 Ų213162.2 Ų162.293%0.92682%0.815SS**  trans-131.984.8138.1-93.7-168.6178.1178.40110.8
1156Q20.6Very low28.5Very low180 Ų180156.9 Ų156.984%0.84180%0.796SS**  trans-147.7149.3159.8-98.9173.2-14.400105.9
1157Q22.4Very low31.4Very low171 Ų171151.2 Ų151.280%0.79977%0.767SS**  trans76.7139.4-167.2-57179.610.200114.6
1158F23.3Very low34.4Very low181 Ų181145 Ų14579%0.79474%0.735SS**  cis-142149.2-7.4-120-65.6000109.9
1159I23.2Very low37.3Very low141 Ų141140.1 Ų140.172%0.72370%0.702SS**  trans-73160.6163.9-68.2164.7000108.2
1160D22.7Very low40.5Very low143 Ų143133.6 Ų133.677%0.76566%0.662SS**  trans74.193.4176.9-57.7-36.3000119.4
1161K26Very low43.3Very low213 Ų213125.8 Ų125.893%0.92663%0.626SS**  trans-144.365.1149.5-77.1-160176.4-175.80112
1162Q23.2Very low46.2Very low198 Ų198118.4 Ų118.493%0.92559%0.592SS**  trans-106.96.3164.5-78.1-167.5-16.600113.7I1164Q1162-I1164 PolarHBondContact O-N 3.41Å
1163H29Very low49.3Very low157 Ų157109.8 Ų109.873%0.72756%0.556SS**SBendtrans-84.7115.6-179.9-86.3-101.2000113.2
1164I41.9Very low52.3Low103 Ų103103.3 Ų103.353%0.52853%0.532SS..  trans53.584148.3-43.1172.9000115.5Q1162 G1166Q1162-I1164 PolarHBondContact O-N 3.41Å; I1164-G1166 PolarHBondContact O-N 2.97Å; I1164-G1166 VanDerWaalsContact O-N 3.12Å
1165S51.3Low55.2Low121 Ų12198.2 Ų98.285%0.84650%0.497SS*.  trans-8445.7171.171.30000113.2
1166G73.4Confident58Low39 Ų3991.1 Ų91.140%0.40247%0.472SS..SBendtrans-148.4142.7-178.100000112.2I1164I1164-G1166 PolarHBondContact O-N 2.97Å; I1164-G1166 VanDerWaalsContact O-N 3.12Å
1167C88.5Confident60.6Low25 Ų2586.1 Ų86.117%0.16945%0.451CS..  trans-69.6131.1175-176.30000110.6T1223 N1229C1167-T1223 VanDerWaalsContact SG-CG2 3.51Å; C1167-N1229 WeakPolarHBondContact CA-O 3.02Å
1168I89.7Confident63.6Low38 Ų3878.4 Ų78.420%0.19542%0.416CS..EExtended strand (participates in β ladder)trans-84.1114.2175.8-58.4-177.2000109.3I1175 N1229 A1230 L1231 I1263 W1265I1168-I1175 HydrophobicContact CG2-CD1 4.1Å; I1168-N1229 PolarHBondContact N-O 3.21Å; I1168-A1230 HydrophobicContact CB-CB 4.26Å; I1168-A1230 CarbonylContact O-C 3.49Å; I1168-A1230 VanDerWaalsContact O-CA 3.22Å; I1168-A1230 WeakPolarHBondContact O-CA 3.38Å; I1168-L1231 PolarHBondContact O-N 2.92Å; I1168-I1263 HydrophobicContact CD1-CD1 4.21Å; I1168-W1265 HydrophobicContact CD1-CZ2 4.07Å
1169L90.4Very high66.7Low20 Ų2075 Ų7511%0.10540%0.398CS..EExtended strand (participates in β ladder)trans-95116175.2-49.7-178.6000109.1S829 M1046 Q1216 L1231 Y1234S829-L1169 VanDerWaalsContact CB-O 3.27Å; S829-L1169 WeakPolarHBondContact CB-O 3.29Å; S829-L1169 PolarHBondContact OG-O 3.02Å; M1046-L1169 WeakPolarHBondContact CE-O 3.45Å; L1169-Q1216 HydrophobicContact CD1-CB 3.66Å; L1169-Q1216 HydrophobicContact CD1-CG 3.58Å; L1169-L1231 HydrophobicContact CD2-CB 3.71Å; L1169-L1231 HydrophobicContact CD2-CD2 4.09Å; L1169-Y1234 HydrophobicContact CB-CG 4.35Å; L1169-Y1234 HydrophobicContact CD1-CE2 4.45Å
1170T88.4Confident69.9Low3 Ų369 Ų692%0.01837%0.368CS..  trans-137.1140.6-173.6-177.30000112.1L1172 I1175 L1231 L1232 S1233 Y1234T1170-L1172 PolarHBondContact O-N 3.06Å; T1170-L1172 PolarHBondContact OG1-N 2.82Å; T1170-I1175 HydrophobicContact CG2-CD1 3.87Å; T1170-I1175 HydrophobicContact CG2-CG1 3.88Å; T1170-L1231 PolarHBondContact N-O 3.42Å; T1170-L1232 HydrophobicContact CG2-CD2 3.62Å; T1170-L1232 CarbonylContact O-C 3.6Å; T1170-S1233 PolarHBondContact O-N 3.05Å; T1170-Y1234 WeakPolarHBondContact O-CB 3.5Å; T1170-Y1234 PolarHBondContact O-N 3.41Å
1171P86Confident73.1Confident2 Ų265.2 Ų65.21%0.01335%0.346CS..SBendtrans-70.6-16.8172.134.7-39.1000111.7A1026 M1046 S1233A1026-P1171 HydrophobicContact CB-CB 3.9Å; M1046-P1171 HydrophobicContact CB-CB 4.08Å; M1046-P1171 HydrophobicContact CB-CG 3.53Å; M1046-P1171 HydrophobicContact CG-CB 3.8Å; M1046-P1171 HydrophobicContact CG-CG 3.78Å; P1171-S1233 WeakPolarHBondContact O-CA 3.39Å
1172L86.5Confident76.1Confident26 Ų2656.6 Ų56.614%0.13632%0.315CS..  trans-74.6132.4-174.2-56.7179.1000109.2E783 L1048 T1170 S1174 S1233E783-L1172 WeakPolarHBondContact O-CD2 3.48Å; L1048-L1172 HydrophobicContact CD1-CD1 3.98Å; L1048-L1172 HydrophobicContact CD1-CD2 4.18Å; L1048-L1172 HydrophobicContact CD1-CG 4.24Å; L1048-L1172 HydrophobicContact CD2-CD1 4.48Å; T1170-L1172 PolarHBondContact O-N 3.06Å; T1170-L1172 PolarHBondContact OG1-N 2.82Å; L1172-S1174 WeakPolarHBondContact CB-O 3.49Å; L1172-S1174 PolarHBondContact O-N 3.47Å; L1172-S1233 PolarHBondContact O-N 2.91Å
1173S87.8Confident79.4Confident12 Ų1248.1 Ų48.18%0.08427%0.274CS..SBendtrans-62.8-21.6168.1330000113.5T151 E783 S1233T151-S1173 VanDerWaalsContact CG2-CB 3.42Å; T151-S1173 WeakPolarHBondContact CG2-OG 3.3Å; E783-S1173 WeakPolarHBondContact OE2-CB 3.35Å; E783-S1173 PolarHBondContact OE2-N 2.89Å; E783-S1173 PolarHBondContact OE2-OG 2.9Å; S1173-S1233 WeakPolarHBondContact CA-OG 3.02Å
1174S83.9Confident82.4Confident59 Ų5941.1 Ų41.141%0.41324%0.242SC..SBendtrans-148.9140.9169.963.90000111.6L1172L1172-S1174 WeakPolarHBondContact CB-O 3.49Å; L1172-S1174 PolarHBondContact O-N 3.47Å
1175I83Confident84.6Confident18 Ų1836.8 Ų36.89%0.09222%0.223CC..  trans-91.9132176.3-63.6158.5000109.6I1168 T1170 T1178 A1230 L1232 I1263 W1265I1168-I1175 HydrophobicContact CG2-CD1 4.1Å; T1170-I1175 HydrophobicContact CG2-CD1 3.87Å; T1170-I1175 HydrophobicContact CG2-CG1 3.88Å; I1175-T1178 HydrophobicContact CB-CG2 4.19Å; I1175-T1178 WeakPolarHBondContact CB-OG1 3.34Å; I1175-T1178 HydrophobicContact CG2-CG2 3.88Å; I1175-T1178 PolarHBondContact O-N 3.34Å; I1175-T1178 PolarHBondContact O-OG1 2.7Å; I1175-A1230 HydrophobicContact CD1-CB 4.44Å; I1175-L1232 HydrophobicContact CD1-CD2 3.98Å; I1175-L1232 HydrophobicContact CG1-CD2 4.2Å; I1175-I1263 HydrophobicContact CD1-CD1 3.72Å; I1175-W1265 HydrophobicContact CG2-CH2 4.5Å
1176P76.1Confident86.6Confident63 Ų6331.5 Ų31.541%0.40919%0.185SC..THydrogen-bonded Turntrans-54.6146.8175.5-26.234.9000113.2T1178P1176-T1178 PolarHBondContact O-N 3.35Å
1177N76.7Confident87.5Confident75 Ų7529.8 Ų29.840%0.40117%0.167SC..THydrogen-bonded Turntrans57.423.1-178.5-55-9.2000114.5N824 E1266N824-N1177 PolarHBondContact OD1-ND2 2.66Å; N824-N1177 VanDerWaalsContact OD1-ND2 3.12Å; N1177-E1266 PolarHBondContact O-N 3.15Å
1178T84.4Confident87.6Confident9 Ų929 Ų296%0.05516%0.161CC..EExtended strand (participates in β ladder)trans-129157.117372.80000111.6Q154 I1175 P1176 I1263 S1264 W1265Q154-T1178 PolarHBondContact NE2-O 3.38Å; I1175-T1178 HydrophobicContact CB-CG2 4.19Å; I1175-T1178 WeakPolarHBondContact CB-OG1 3.34Å; I1175-T1178 HydrophobicContact CG2-CG2 3.88Å; I1175-T1178 PolarHBondContact O-N 3.34Å; I1175-T1178 PolarHBondContact O-OG1 2.7Å; P1176-T1178 PolarHBondContact O-N 3.35Å; T1178-I1263 HydrophobicContact CG2-CD1 4.44Å; T1178-S1264 WeakPolarHBondContact CA-O 3.33Å; T1178-S1264 WeakPolarHBondContact CB-O 3.47Å; T1178-W1265 HydrophobicContact CG2-CD2 3.83Å; T1178-W1265 HydrophobicContact CG2-CE3 3.42Å; T1178-W1265 VanDerWaalsContact CG2-CE3 3.42Å; T1178-W1265 HydrophobicContact CG2-CH2 3.98Å; T1178-W1265 HydrophobicContact CG2-CZ2 4.34Å; T1178-W1265 HydrophobicContact CG2-CZ3 3.5Å
1179Y89Confident87.7Confident109 Ų10928.2 Ų28.243%0.42716%0.156SC..EExtended strand (participates in β ladder)trans-124.1136.6166.465.4-82.9000110.5E1181 I1263 S1264Y1179-E1181 HydrophobicContact CD2-CG 4.32Å; Y1179-E1181 HydrophobicContact CE2-CG 3.85Å; Y1179-E1181 PolarHBondContact O-N 2.88Å; Y1179-I1263 WeakPolarHBondContact O-CA 3.5Å; Y1179-S1264 WeakPolarHBondContact CD1-O 3.47Å; Y1179-S1264 VanDerWaalsContact CZ-CB 3.47Å; Y1179-S1264 PolarHBondContact N-O 3Å; Y1179-S1264 PolarHBondContact O-N 3.48Å
1180V90.7Very high87.6Confident16 Ų1628.3 Ų28.310%0.09716%0.156CC..EExtended strand (participates in β ladder)trans-72116170.41790000109.4Q154 Y1183 L1232 A1261 I1263Q154-V1180 HydrophobicContact CB-CB 4.35Å; Q154-V1180 HydrophobicContact CB-CG2 4.24Å; V1180-Y1183 HydrophobicContact CB-CE2 4.03Å; V1180-Y1183 HydrophobicContact CG1-CD2 3.63Å; V1180-Y1183 HydrophobicContact CG1-CE2 3.52Å; V1180-Y1183 HydrophobicContact CG1-CG 4.2Å; V1180-Y1183 HydrophobicContact CG2-CE2 4.3Å; V1180-L1232 HydrophobicContact CG2-CD1 3.65Å; V1180-A1261 HydrophobicContact CG1-CB 4.09Å; V1180-A1261 HydrophobicContact CG2-CB 4.48Å; V1180-I1263 HydrophobicContact CG2-CG2 3.96Å
1181E89.6Confident87.7Confident64 Ų6428.7 Ų28.730%0.29916%0.157SC..EExtended strand (participates in β ladder)trans-72.7-43.2173.7-57.2-166.7158.700111.5Y1179 R1262 S1264Y1179-E1181 HydrophobicContact CD2-CG 4.32Å; Y1179-E1181 HydrophobicContact CE2-CG 3.85Å; Y1179-E1181 PolarHBondContact O-N 2.88Å; E1181-R1262 PolarHBondContact N-O 2.74Å; E1181-R1262 IonicContact OE2-CZ 3Å; E1181-R1262 IonicContact OE2-NE 3.49Å; E1181-R1262 PolarHBondContact OE2-NE 3.29Å; E1181-R1262 IonicContact OE2-NH2 3.3Å; E1181-R1262 PolarHBondContact OE2-NH2 3.22Å; E1181-S1264 VanDerWaalsContact CD-OG 3.3Å; E1181-S1264 VanDerWaalsContact OE1-CB 3.32Å; E1181-S1264 WeakPolarHBondContact OE1-CB 3.46Å; E1181-S1264 PolarHBondContact OE1-OG 2.93Å
1182A89.7Confident88Confident32 Ų3228.7 Ų28.726%0.26416%0.157SC..EExtended strand (participates in β ladder)trans-154.6132.5-177.500000111.1L1184 A1261 R1262A1182-L1184 HydrophobicContact CB-CD2 4.38Å; A1182-A1261 WeakPolarHBondContact O-CA 3.45Å; A1182-R1262 PolarHBondContact N-O 2.62Å; A1182-R1262 PolarHBondContact O-N 2.78Å
1183Y91.7Very high88.2Confident19 Ų1928.5 Ų28.58%0.07516%0.155CC..EExtended strand (participates in β ladder)trans-80139.6158.5-70.6-93.9000108.7Q101 Y147 P153 Q154 F156 V1180 L1232 D1259 A1261Q101-Y1183 PolarHBondContact NE2-O 2.73Å; Y147-Y1183 HydrophobicContact CD1-CD1 4.24Å; Y147-Y1183 HydrophobicContact CD1-CE1 4.43Å; Y147-Y1183 AromaticContact CE1-CD1 3.78Å; Y147-Y1183 HydrophobicContact CE1-CD1 3.78Å; Y147-Y1183 HydrophobicContact CE1-CD2 4.29Å; Y147-Y1183 HydrophobicContact CE1-CE1 4.21Å; Y147-Y1183 AromaticContact CE1-CG 3.82Å; Y147-Y1183 HydrophobicContact CE1-CG 3.82Å; P153-Y1183 WeakPolarHBondContact CA-OH 3.44Å; P153-Y1183 HydrophobicContact CB-CD2 4.42Å; P153-Y1183 HydrophobicContact CB-CE1 4.29Å; P153-Y1183 HydrophobicContact CB-CE2 3.71Å; Q154-Y1183 PolarHBondContact N-OH 3.46Å; F156-Y1183 HydrophobicContact CD2-CE2 4.49Å; F156-Y1183 AromaticContact CE2-CD2 3.9Å; F156-Y1183 HydrophobicContact CE2-CD2 3.9Å; F156-Y1183 HydrophobicContact CE2-CE2 4.24Å; V1180-Y1183 HydrophobicContact CB-CE2 4.03Å; V1180-Y1183 HydrophobicContact CG1-CD2 3.63Å; V1180-Y1183 HydrophobicContact CG1-CE2 3.52Å; V1180-Y1183 HydrophobicContact CG1-CG 4.2Å; V1180-Y1183 HydrophobicContact CG2-CE2 4.3Å; Y1183-L1232 HydrophobicContact CE1-CD1 4.04Å; Y1183-D1259 HydrophobicContact CD1-CB 4.32Å; Y1183-D1259 HydrophobicContact CE1-CB 4.35Å; Y1183-A1261 HydrophobicContact CD1-CB 4.48Å
1184L90.8Very high88.3Confident10 Ų1028.8 Ų28.85%0.05216%0.155CC..EExtended strand (participates in β ladder)trans-112-1.5-172.7-58.2175.7000113.2Q101 A1182 L1226 M1260Q101-L1184 VanDerWaalsContact NE2-C 3.3Å; Q101-L1184 VanDerWaalsContact NE2-CA 3.31Å; Q101-L1184 PolarHBondContact OE1-O 3.26Å; Q101-L1184 VanDerWaalsContact OE1-O 3.08Å; A1182-L1184 HydrophobicContact CB-CD2 4.38Å; L1184-L1226 HydrophobicContact CD1-CB 4.22Å; L1184-M1260 HydrophobicContact CB-CB 4.11Å; L1184-M1260 PolarHBondContact N-O 3.23Å
1185G89.7Confident88.6Confident12 Ų1226.5 Ų26.512%0.12414%0.138CC..EExtended strand (participates in β ladder)trans127.5163.9-179.500000112.1M1260G1185-M1260 WeakPolarHBondContact O-CB 3.13Å; G1185-M1260 PolarHBondContact O-N 3.45Å
1186N92.5Very high88.8Confident11 Ų1128.5 Ų28.56%0.05915%0.151CC..EExtended strand (participates in β ladder)trans-72.3157.416356.5-59.4000110.2F146 Q204 D1188 G1258 M1260F146-N1186 HydrophobicContact CB-CB 4.2Å; Q204-N1186 PolarHBondContact NE2-ND2 3.36Å; Q204-N1186 PolarHBondContact OE1-ND2 3.26Å; N1186-D1188 PolarHBondContact ND2-OD2 2.98Å; N1186-G1258 WeakPolarHBondContact CA-O 3.24Å; N1186-M1260 WeakPolarHBondContact O-CE 3.43Å
1187L92.6Very high89.4Confident2 Ų228.8 Ų28.81%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-126.4125.8172.6177.7135.7000108.4H148 F1189 V1219 H1222 L1231 V1256 C1257 G1258 M1260H148-L1187 PolarHBondContact CE1-O 3.2Å; L1187-F1189 HydrophobicContact CD1-CD2 4.04Å; L1187-F1189 HydrophobicContact CD1-CE2 4.06Å; L1187-F1189 HydrophobicContact CD2-CB 4.46Å; L1187-F1189 HydrophobicContact CD2-CD2 4.14Å; L1187-F1189 HydrophobicContact CG-CD2 3.71Å; L1187-F1189 HydrophobicContact CG-CE2 4.13Å; L1187-V1219 HydrophobicContact CD1-CG1 3.97Å; L1187-V1219 HydrophobicContact CD2-CB 4.5Å; L1187-V1219 HydrophobicContact CD2-CG1 3.68Å; L1187-V1219 HydrophobicContact CD2-CG2 4.03Å; L1187-V1219 HydrophobicContact CG-CG1 4.5Å; L1187-H1222 HydrophobicContact CD1-CB 4.33Å; L1187-L1231 HydrophobicContact CB-CD1 4.23Å; L1187-L1231 HydrophobicContact CD2-CD2 4.32Å; L1187-V1256 HydrophobicContact CD2-CG1 4.2Å; L1187-C1257 VanDerWaalsContact O-CA 3.29Å; L1187-C1257 WeakPolarHBondContact O-CA 3.48Å; L1187-G1258 PolarHBondContact N-O 3.3Å; L1187-G1258 PolarHBondContact O-N 3.19Å; L1187-G1258 VanDerWaalsContact O-N 3.12Å; L1187-M1260 HydrophobicContact CB-CE 4.08Å; L1187-M1260 HydrophobicContact CB-CG 4.03Å; L1187-M1260 HydrophobicContact CB-SD 4.09Å; L1187-M1260 HydrophobicContact CD1-CE 4.44Å; L1187-M1260 HydrophobicContact CD1-CG 4.31Å; L1187-M1260 HydrophobicContact CD1-SD 3.69Å
1188D91.5Very high89.9Confident9 Ų925.7 Ų25.75%0.04813%0.133CC..EExtended strand (participates in β ladder)trans-134.295.8179.8-72.6-71.3000109.1H148 Q204 L224 N1186 C1257H148-D1188 IonicContact CE1-OD1 2.78Å; H148-D1188 PolarHBondContact CE1-OD1 3.35Å; H148-D1188 IonicContact CE1-OD2 2.68Å; H148-D1188 PolarHBondContact CE1-OD2 2.89Å; H148-D1188 IonicContact NE2-OD1 2.81Å; H148-D1188 PolarHBondContact NE2-OD1 2.92Å; H148-D1188 VanDerWaalsContact NE2-OD1 3.09Å; H148-D1188 IonicContact NE2-OD2 2.61Å; Q204-D1188 PolarHBondContact NE2-OD2 3.36Å; L224-D1188 HydrophobicContact CD2-CB 4.38Å; N1186-D1188 PolarHBondContact ND2-OD2 2.98Å; D1188-C1257 PolarHBondContact OD1-SG 3.13Å
1189F89.9Confident90.1Very high21 Ų2134.9 Ų34.99%0.09217%0.166CC..EExtended strand (participates in β ladder)trans-120.9121.6-173.8-91.7-114.7000113Y90 D92 L1187 F1191 H1222 N1255 V1256Y90-F1189 WeakPolarHBondContact O-CE1 3.44Å; D92-F1189 HydrophobicContact CB-CE2 4.39Å; L1187-F1189 HydrophobicContact CD1-CD2 4.04Å; L1187-F1189 HydrophobicContact CD1-CE2 4.06Å; L1187-F1189 HydrophobicContact CD2-CB 4.46Å; L1187-F1189 HydrophobicContact CD2-CD2 4.14Å; L1187-F1189 HydrophobicContact CG-CD2 3.71Å; L1187-F1189 HydrophobicContact CG-CE2 4.13Å; F1189-F1191 HydrophobicContact CB-CD2 4.26Å; F1189-F1191 HydrophobicContact CB-CE2 3.55Å; F1189-F1191 HydrophobicContact CB-CZ 4.19Å; F1189-F1191 HydrophobicContact CD1-CE2 4.19Å; F1189-F1191 AromaticContact CD1-CZ 3.95Å; F1189-F1191 HydrophobicContact CD1-CZ 3.95Å; F1189-F1191 HydrophobicContact CG-CE2 4.33Å; F1189-H1222 AromaticContact CE1-NE2 3.81Å; F1189-H1222 AromaticContact CZ-CE1 3.88Å; F1189-H1222 AromaticContact CZ-ND1 3.95Å; F1189-H1222 AromaticContact CZ-NE2 3.99Å; F1189-N1255 PolarHBondContact O-OD1 2.95Å; F1189-V1256 PolarHBondContact N-O 3.01Å; F1189-V1256 PolarHBondContact O-N 2.7Å
1190F89.8Confident90.1Very high23 Ų2336.2 Ų36.210%0.10118%0.176CC..EExtended strand (participates in β ladder)trans-92.8120.2173.9-70.5-90.8000111.2F196 L224 F226 N1255F196-F1190 HydrophobicContact CB-CB 4.09Å; F196-F1190 HydrophobicContact CB-CD1 4.03Å; F196-F1190 HydrophobicContact CB-CD2 4.11Å; F196-F1190 HydrophobicContact CB-CG 3.76Å; F196-F1190 HydrophobicContact CD2-CB 4.45Å; F196-F1190 AromaticContact CD2-CD1 3.81Å; F196-F1190 HydrophobicContact CD2-CD1 3.81Å; F196-F1190 HydrophobicContact CD2-CG 4.26Å; F196-F1190 HydrophobicContact CG-CD1 4.35Å; L224-F1190 HydrophobicContact CD2-CE2 4.11Å; L224-F1190 HydrophobicContact CD2-CZ 4.12Å; F226-F1190 HydrophobicContact CD1-CE1 4.01Å; F226-F1190 HydrophobicContact CD1-CZ 4.38Å; F226-F1190 AromaticContact CD2-CE1 3.53Å; F226-F1190 HydrophobicContact CD2-CE1 3.53Å; F226-F1190 HydrophobicContact CD2-CE2 4.41Å; F226-F1190 AromaticContact CD2-CZ 3.34Å; F226-F1190 HydrophobicContact CD2-CZ 3.34Å; F226-F1190 HydrophobicContact CE1-CE1 4.06Å; F226-F1190 HydrophobicContact CE1-CZ 4.12Å; F226-F1190 AromaticContact CE2-CE1 3.6Å; F226-F1190 HydrophobicContact CE2-CE1 3.6Å; F226-F1190 AromaticContact CE2-CE2 3.68Å; F226-F1190 HydrophobicContact CE2-CE2 3.68Å; F226-F1190 AromaticContact CE2-CZ 3Å; F226-F1190 HydrophobicContact CE2-CZ 3Å; F226-F1190 AromaticContact CG-CE1 3.76Å; F226-F1190 HydrophobicContact CG-CE1 3.76Å; F226-F1190 HydrophobicContact CG-CZ 4.04Å; F226-F1190 AromaticContact CZ-CE1 3.86Å; F226-F1190 HydrophobicContact CZ-CE1 3.86Å; F226-F1190 AromaticContact CZ-CE2 3.79Å; F226-F1190 HydrophobicContact CZ-CE2 3.79Å; F226-F1190 AromaticContact CZ-CZ 3.44Å; F226-F1190 HydrophobicContact CZ-CZ 3.44Å; F226-F1190 VanDerWaalsContact CZ-CZ 3.44Å; F1190-N1255 HydrophobicContact CD1-CB 3.92Å; F1190-N1255 HydrophobicContact CE1-CB 3.5Å; F1190-N1255 VanDerWaalsContact CE1-CG 3.43Å; F1190-N1255 HydrophobicContact CZ-CB 3.87Å; F1190-N1255 WeakPolarHBondContact CZ-ND2 3.4Å; F1190-N1255 WeakPolarHBondContact CZ-OD1 3.42Å
1191F91Very high89.8Confident11 Ų1137.9 Ų37.95%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-112.5141.5172.5-64.4-92.2000110.3Y112 F1189 V1215 V1218 V1219 L1253 L1254Y112-F1191 HydrophobicContact CD1-CD1 4.37Å; Y112-F1191 HydrophobicContact CE1-CD1 4.04Å; Y112-F1191 HydrophobicContact CE2-CD1 4.36Å; F1189-F1191 HydrophobicContact CB-CD2 4.26Å; F1189-F1191 HydrophobicContact CB-CE2 3.55Å; F1189-F1191 HydrophobicContact CB-CZ 4.19Å; F1189-F1191 HydrophobicContact CD1-CE2 4.19Å; F1189-F1191 AromaticContact CD1-CZ 3.95Å; F1189-F1191 HydrophobicContact CD1-CZ 3.95Å; F1189-F1191 HydrophobicContact CG-CE2 4.33Å; F1191-V1215 HydrophobicContact CB-CG2 3.86Å; F1191-V1215 HydrophobicContact CD1-CG2 3.81Å; F1191-V1215 HydrophobicContact CD2-CB 4.26Å; F1191-V1215 HydrophobicContact CD2-CG1 3.71Å; F1191-V1215 HydrophobicContact CD2-CG2 3.61Å; F1191-V1215 HydrophobicContact CE1-CG2 4.22Å; F1191-V1215 HydrophobicContact CE2-CB 4.25Å; F1191-V1215 HydrophobicContact CE2-CG1 3.53Å; F1191-V1215 HydrophobicContact CE2-CG2 4.02Å; F1191-V1215 HydrophobicContact CG-CG1 4.44Å; F1191-V1215 HydrophobicContact CG-CG2 3.48Å; F1191-V1215 VanDerWaalsContact CG-CG2 3.48Å; F1191-V1215 HydrophobicContact CZ-CG1 4.16Å; F1191-V1215 HydrophobicContact CZ-CG2 4.31Å; F1191-V1218 HydrophobicContact CE1-CB 4.16Å; F1191-V1218 HydrophobicContact CE1-CG1 3.91Å; F1191-V1218 HydrophobicContact CE1-CG2 4.29Å; F1191-V1218 HydrophobicContact CZ-CB 4.01Å; F1191-V1218 HydrophobicContact CZ-CG1 3.7Å; F1191-V1219 HydrophobicContact CE2-CG2 4.1Å; F1191-V1219 HydrophobicContact CZ-CG2 4.24Å; F1191-L1253 WeakPolarHBondContact O-CA 3.3Å; F1191-L1254 HydrophobicContact CB-CB 4.42Å; F1191-L1254 PolarHBondContact N-O 2.72Å; F1191-L1254 PolarHBondContact O-N 3.5Å
1192V91.2Very high89.7Confident2 Ų237.5 Ų37.51%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-121.1129.1165.2-174.80000106.2Y112 N189 Q193 Q1251 C1252 L1253Y112-V1192 PolarHBondContact OH-O 2.91Å; N189-V1192 HydrophobicContact CB-CG1 4.13Å; Q193-V1192 HydrophobicContact CG-CB 4.14Å; Q193-V1192 HydrophobicContact CG-CG2 3.66Å; Q193-V1192 PolarHBondContact NE2-O 2.79Å; V1192-Q1251 HydrophobicContact CG1-CG 3.9Å; V1192-C1252 WeakPolarHBondContact CA-O 3.43Å; V1192-L1253 HydrophobicContact CG2-CG 4.34Å
1193R90.8Very high89.6Confident22 Ų2237.1 Ų37.18%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-123.3137.3173.9-166.179175.166.74108Y112 T114 M115 H116 G117 F1207 S1211 E1214 Q1251 C1252Y112-R1193 WeakPolarHBondContact OH-CD 3.44Å; T114-R1193 PolarHBondContact O-NH1 2.93Å; M115-R1193 PolarHBondContact O-NH1 2.71Å; H116-R1193 VanDerWaalsContact C-NH2 3.25Å; G117-R1193 VanDerWaalsContact N-CZ 3.3Å; G117-R1193 VanDerWaalsContact N-NH2 3.2Å; R1193-F1207 HydrophobicContact CB-CE2 4.28Å; R1193-F1207 HydrophobicContact CB-CZ 4.01Å; R1193-F1207 HydrophobicContact CG-CE2 3.62Å; R1193-F1207 HydrophobicContact CG-CZ 3.88Å; R1193-S1211 WeakPolarHBondContact CG-OG 3.28Å; R1193-E1214 WeakPolarHBondContact CD-OE2 3.26Å; R1193-E1214 IonicContact CZ-OE2 3.8Å; R1193-E1214 IonicContact NE-OE1 2.76Å; R1193-E1214 IonicContact NE-OE2 3.34Å; R1193-E1214 PolarHBondContact NE-OE2 2.84Å; R1193-E1214 IonicContact NH2-OE1 3.29Å; R1193-E1214 IonicContact NH2-OE2 2.74Å; R1193-Q1251 CarbonylContact O-C 3.1Å; R1193-Q1251 VanDerWaalsContact O-CA 3.24Å; R1193-Q1251 WeakPolarHBondContact O-CA 3.34Å; R1193-C1252 PolarHBondContact N-O 3.49Å; R1193-C1252 PolarHBondContact O-N 3.49Å
1194E90Very high89.3Confident18 Ų1837.1 Ų37.18%0.08420%0.2CC..EExtended strand (participates in β ladder)trans-129.9144.2175.4-177.3-177.2155.900109.2T114 M115 S185 N189 A1250 Q1251T114-E1194 PolarHBondContact O-N 3.37Å; T114-E1194 VanDerWaalsContact O-O 3.12Å; M115-E1194 WeakPolarHBondContact CA-O 3Å; M115-E1194 HydrophobicContact CE-CB 4.22Å; M115-E1194 HydrophobicContact CE-CG 3.85Å; M115-E1194 HydrophobicContact SD-CB 3.71Å; M115-E1194 VanDerWaalsContact SD-CD 3.58Å; M115-E1194 HydrophobicContact SD-CG 3.83Å; S185-E1194 VanDerWaalsContact CB-OE2 3.26Å; S185-E1194 WeakPolarHBondContact CB-OE2 3.15Å; N189-E1194 PolarHBondContact ND2-OE2 2.69Å; E1194-A1250 CarbonylContact C-O 3.6Å; E1194-A1250 WeakPolarHBondContact CA-O 3.28Å; E1194-Q1251 HydrophobicContact CB-CG 4.37Å
1195T89.8Confident89Confident11 Ų1139.1 Ų39.17%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-132.3142.9172.1-174.40000110.6D1197 L1198 F1207 Q1249 A1250T1195-D1197 PolarHBondContact OG1-N 2.9Å; T1195-L1198 HydrophobicContact CG2-CB 4.2Å; T1195-L1198 HydrophobicContact CG2-CD1 4.06Å; T1195-F1207 HydrophobicContact CG2-CD2 3.51Å; T1195-F1207 HydrophobicContact CG2-CE2 3.59Å; T1195-F1207 HydrophobicContact CG2-CG 4.04Å; T1195-F1207 HydrophobicContact CG2-CZ 4.16Å; T1195-Q1249 WeakPolarHBondContact O-CA 3.23Å; T1195-A1250 HydrophobicContact CG2-CB 4.11Å; T1195-A1250 PolarHBondContact N-O 3.29Å; T1195-A1250 PolarHBondContact O-N 3.4Å; T1195-A1250 VanDerWaalsContact O-N 3.12Å
1196T88.2Confident89Confident60 Ų6039.4 Ų39.437%0.36822%0.218SC..SBendtrans-94.1-9.9170.642.40000113.7M115 N1248 Q1249M115-T1196 HydrophobicContact CE-CG2 3.99Å; T1196-N1248 CarbonylContact C-O 3.59Å; T1196-N1248 PolarHBondContact O-ND2 2.55Å; T1196-Q1249 HydrophobicContact CG2-CG 4.4Å
1197D88.7Confident88.9Confident68 Ų6839.1 Ų39.136%0.36422%0.217SC..  trans-130.240.7-163.4-59.9-67.1000111.6T1195 R1199 E1200 V1201 N1248T1195-D1197 PolarHBondContact OG1-N 2.9Å; D1197-R1199 PolarHBondContact O-N 2.92Å; D1197-R1199 VanDerWaalsContact O-N 3.07Å; D1197-E1200 HydrophobicContact CB-CB 4.33Å; D1197-E1200 HydrophobicContact CB-CG 4.27Å; D1197-E1200 WeakPolarHBondContact O-CA 3.45Å; D1197-E1200 WeakPolarHBondContact O-CB 3.39Å; D1197-E1200 PolarHBondContact O-N 2.98Å; D1197-V1201 PolarHBondContact O-N 3.04Å; D1197-N1248 WeakPolarHBondContact CA-ND2 3.32Å; D1197-N1248 PolarHBondContact N-O 3.38Å
1198L87.3Confident88.8Confident10 Ų1039.1 Ų39.15%0.05222%0.217CC..THydrogen-bonded Turntrans-48.2-41.7-172.3-176.363.5000113.6T1195 E1200 V1201 G1203 I1204 F1207 R1243 N1248 A1250T1195-L1198 HydrophobicContact CG2-CB 4.2Å; T1195-L1198 HydrophobicContact CG2-CD1 4.06Å; L1198-E1200 VanDerWaalsContact C-N 3.32Å; L1198-E1200 PolarHBondContact O-N 3.15Å; L1198-V1201 PolarHBondContact O-N 2.94Å; L1198-G1203 VanDerWaalsContact O-CA 3.29Å; L1198-G1203 WeakPolarHBondContact O-CA 3.48Å; L1198-G1203 PolarHBondContact O-N 3.31Å; L1198-I1204 HydrophobicContact CD1-CD1 4.14Å; L1198-F1207 HydrophobicContact CD1-CB 3.9Å; L1198-F1207 HydrophobicContact CD1-CG 4.31Å; L1198-R1243 HydrophobicContact CD2-CG 4.29Å; L1198-N1248 WeakPolarHBondContact CB-O 3.5Å; L1198-N1248 PolarHBondContact N-O 3.26Å; L1198-N1248 PolarHBondContact N-OD1 3.21Å; L1198-A1250 HydrophobicContact CD1-CB 3.84Å; L1198-A1250 HydrophobicContact CD2-CB 4.11Å; L1198-A1250 HydrophobicContact CG-CB 4.48Å
1199R86.9Confident88.6Confident202 Ų20243.2 Ų43.276%0.76224%0.235SC*.THydrogen-bonded Turntrans-62.2-35.1176.7-72167.1-169.3-164.63.6113.1D1197 G1202 N1248D1197-R1199 PolarHBondContact O-N 2.92Å; D1197-R1199 VanDerWaalsContact O-N 3.07Å; R1199-G1202 PolarHBondContact O-N 3.21Å; R1199-N1248 WeakPolarHBondContact CB-OD1 3.36Å; R1199-N1248 WeakPolarHBondContact CD-OD1 3.46Å; R1199-N1248 WeakPolarHBondContact CG-OD1 3.43Å; R1199-N1248 PolarHBondContact N-OD1 3.2Å
1200E89.8Confident88.6Confident137 Ų13744.5 Ų44.564%0.6425%0.245SC*.THydrogen-bonded Turntrans-78.2-32.1-178.1-52.1-163.9161.100112D1197 L1198 G1202D1197-E1200 HydrophobicContact CB-CB 4.33Å; D1197-E1200 HydrophobicContact CB-CG 4.27Å; D1197-E1200 WeakPolarHBondContact O-CA 3.45Å; D1197-E1200 WeakPolarHBondContact O-CB 3.39Å; D1197-E1200 PolarHBondContact O-N 2.98Å; L1198-E1200 VanDerWaalsContact C-N 3.32Å; L1198-E1200 PolarHBondContact O-N 3.15Å; E1200-G1202 PolarHBondContact O-N 3.47Å
1201V85.4Confident88.7Confident51 Ų5143.5 Ų43.531%0.30924%0.241SC..THydrogen-bonded Turntrans-75.82.3174.9-163.90000112.4D1197 L1198 G1206 F1207D1197-V1201 PolarHBondContact O-N 3.04Å; L1198-V1201 PolarHBondContact O-N 2.94Å; V1201-G1206 CarbonylContact O-C 3.55Å; V1201-G1206 WeakPolarHBondContact O-CA 3.36Å; V1201-F1207 HydrophobicContact CG1-CB 4.36Å
1202G86.3Confident88.7Confident57 Ų5743.3 Ų43.359%0.58824%0.24SC*.THydrogen-bonded Turntrans8728.7-18000000114.2R1199 E1200R1199-G1202 PolarHBondContact O-N 3.21Å; E1200-G1202 PolarHBondContact O-N 3.47Å
1203G87.3Confident88.7Confident24 Ų2445.4 Ų45.425%0.24726%0.258CS..Hα-helixtrans74.2-172-178.700000113.1L1198 S1205 G1206 F1207L1198-G1203 VanDerWaalsContact O-CA 3.29Å; L1198-G1203 WeakPolarHBondContact O-CA 3.48Å; L1198-G1203 PolarHBondContact O-N 3.31Å; G1203-S1205 VanDerWaalsContact C-N 3.28Å; G1203-S1205 PolarHBondContact O-N 3.31Å; G1203-G1206 PolarHBondContact O-N 2.76Å; G1203-G1206 VanDerWaalsContact O-N 3.12Å; G1203-F1207 PolarHBondContact O-N 3.38Å
1204I86.4Confident88.8Confident18 Ų1845.5 Ų45.59%0.09226%0.259CS..Hα-helixtrans-60.5-35.7-173.4-160.370.3000113.4V835 L1198 F1207 L1208 V1241 A1250V835-I1204 HydrophobicContact CG1-CG2 4.08Å; L1198-I1204 HydrophobicContact CD1-CD1 4.14Å; I1204-F1207 HydrophobicContact CD1-CD1 3.96Å; I1204-F1207 PolarHBondContact O-N 3Å; I1204-L1208 HydrophobicContact CG1-CD1 3.94Å; I1204-L1208 HydrophobicContact CG1-CG 4.39Å; I1204-L1208 WeakPolarHBondContact O-CB 3.45Å; I1204-L1208 VanDerWaalsContact O-CG 3.3Å; I1204-L1208 WeakPolarHBondContact O-CG 3.26Å; I1204-L1208 PolarHBondContact O-N 3.37Å; I1204-V1241 HydrophobicContact CD1-CG1 3.56Å; I1204-V1241 HydrophobicContact CG1-CG1 3.89Å; I1204-A1250 HydrophobicContact CD1-CB 3.7Å
1205S84.3Confident88.9Confident52 Ų5244.6 Ų44.636%0.36426%0.255SS..Hα-helixtrans-66.7-41.2176.8-171.70000112.3G1203 H1209G1203-S1205 VanDerWaalsContact C-N 3.28Å; G1203-S1205 PolarHBondContact O-N 3.31Å; S1205-H1209 VanDerWaalsContact O-CB 3.25Å; S1205-H1209 WeakPolarHBondContact O-CB 3.25Å; S1205-H1209 PolarHBondContact O-N 3.27Å
1206G88.4Confident89Confident19 Ų1946 Ų4620%0.19626%0.261CS..Hα-helixtrans-69-40.7175.500000112.7V1201 G1203 T1210V1201-G1206 CarbonylContact O-C 3.55Å; V1201-G1206 WeakPolarHBondContact O-CA 3.36Å; G1203-G1206 PolarHBondContact O-N 2.76Å; G1203-G1206 VanDerWaalsContact O-N 3.12Å; G1206-T1210 WeakPolarHBondContact O-CB 3.47Å; G1206-T1210 PolarHBondContact O-N 2.76Å; G1206-T1210 PolarHBondContact O-OG1 3.13Å
1207F91Very high89.2Confident4 Ų445.4 Ų45.42%0.01826%0.262CS..Hα-helixtrans-58.7-53.9172.9171.6-114.3000112.1R1193 T1195 L1198 V1201 G1203 I1204 H1209 T1210 S1211 A1250 C1252R1193-F1207 HydrophobicContact CB-CE2 4.28Å; R1193-F1207 HydrophobicContact CB-CZ 4.01Å; R1193-F1207 HydrophobicContact CG-CE2 3.62Å; R1193-F1207 HydrophobicContact CG-CZ 3.88Å; T1195-F1207 HydrophobicContact CG2-CD2 3.51Å; T1195-F1207 HydrophobicContact CG2-CE2 3.59Å; T1195-F1207 HydrophobicContact CG2-CG 4.04Å; T1195-F1207 HydrophobicContact CG2-CZ 4.16Å; L1198-F1207 HydrophobicContact CD1-CB 3.9Å; L1198-F1207 HydrophobicContact CD1-CG 4.31Å; V1201-F1207 HydrophobicContact CG1-CB 4.36Å; G1203-F1207 PolarHBondContact O-N 3.38Å; I1204-F1207 HydrophobicContact CD1-CD1 3.96Å; I1204-F1207 PolarHBondContact O-N 3Å; F1207-H1209 PolarHBondContact O-N 2.87Å; F1207-T1210 PolarHBondContact O-N 3.25Å; F1207-S1211 WeakPolarHBondContact O-CB 3.21Å; F1207-S1211 PolarHBondContact O-N 2.95Å; F1207-S1211 PolarHBondContact O-OG 2.69Å; F1207-A1250 HydrophobicContact CD1-CB 4.17Å; F1207-A1250 HydrophobicContact CE1-CB 4.02Å; F1207-C1252 HydrophobicContact CE1-CB 3.99Å
1208L89.8Confident89.5Confident2 Ų242.5 Ų42.51%0.0125%0.247CC..Hα-helixtrans-67.4-37.5-178.1-70169.3000113I833 V835 I1204 T1210 S1211 L1212 V1241 C1252I833-L1208 HydrophobicContact CD1-CB 4.37Å; I833-L1208 HydrophobicContact CD1-CD1 4.43Å; I833-L1208 HydrophobicContact CG2-CB 4.19Å; V835-L1208 HydrophobicContact CB-CD1 4.18Å; V835-L1208 HydrophobicContact CG2-CD1 3.31Å; I1204-L1208 HydrophobicContact CG1-CD1 3.94Å; I1204-L1208 HydrophobicContact CG1-CG 4.39Å; I1204-L1208 WeakPolarHBondContact O-CB 3.45Å; I1204-L1208 VanDerWaalsContact O-CG 3.3Å; I1204-L1208 WeakPolarHBondContact O-CG 3.26Å; I1204-L1208 PolarHBondContact O-N 3.37Å; L1208-T1210 VanDerWaalsContact C-N 3.32Å; L1208-T1210 PolarHBondContact O-N 3.35Å; L1208-S1211 PolarHBondContact O-N 3.19Å; L1208-L1212 WeakPolarHBondContact O-CB 3.5Å; L1208-L1212 PolarHBondContact O-N 3Å; L1208-V1241 HydrophobicContact CD1-CG1 4.41Å; L1208-V1241 HydrophobicContact CD1-CG2 3.96Å; L1208-V1241 HydrophobicContact CD2-CG2 3.92Å; L1208-C1252 HydrophobicContact CD2-CB 3.63Å
1209H87.4Confident89.8Confident96 Ų9642 Ų4244%0.44424%0.244SC..Hα-helixtrans-64.6-37.5173.6-174.4-57.1000111.8S1205 F1207 A1213S1205-H1209 VanDerWaalsContact O-CB 3.25Å; S1205-H1209 WeakPolarHBondContact O-CB 3.25Å; S1205-H1209 PolarHBondContact O-N 3.27Å; F1207-H1209 PolarHBondContact O-N 2.87Å; H1209-A1213 WeakPolarHBondContact O-CB 3.35Å; H1209-A1213 PolarHBondContact O-N 3.28Å; H1209-A1213 VanDerWaalsContact O-N 3.12Å
1210T90.8Very high90.1Very high48 Ų4832.9 Ų32.929%0.29421%0.213SC..Hα-helixtrans-68.5-46.9175.8-54.50000110.3G1206 F1207 L1208 L1212 A1213 E1214G1206-T1210 WeakPolarHBondContact O-CB 3.47Å; G1206-T1210 PolarHBondContact O-N 2.76Å; G1206-T1210 PolarHBondContact O-OG1 3.13Å; F1207-T1210 PolarHBondContact O-N 3.25Å; L1208-T1210 VanDerWaalsContact C-N 3.32Å; L1208-T1210 PolarHBondContact O-N 3.35Å; T1210-L1212 PolarHBondContact O-N 3.17Å; T1210-A1213 PolarHBondContact O-N 3.48Å; T1210-E1214 WeakPolarHBondContact O-CG 3.25Å; T1210-E1214 PolarHBondContact O-N 3.26Å
1211S92.6Very high90.2Very high1 Ų127.2 Ų27.21%0.00719%0.19CC..Hα-helixtrans-56.1-47.1176.3-51.50000111.6R1193 F1207 L1208 A1213 E1214 V1215R1193-S1211 WeakPolarHBondContact CG-OG 3.28Å; F1207-S1211 WeakPolarHBondContact O-CB 3.21Å; F1207-S1211 PolarHBondContact O-N 2.95Å; F1207-S1211 PolarHBondContact O-OG 2.69Å; L1208-S1211 PolarHBondContact O-N 3.19Å; S1211-A1213 PolarHBondContact O-N 2.96Å; S1211-E1214 PolarHBondContact O-N 3.46Å; S1211-V1215 WeakPolarHBondContact O-CB 3.33Å; S1211-V1215 VanDerWaalsContact O-CG2 3.28Å; S1211-V1215 WeakPolarHBondContact O-CG2 3.31Å; S1211-V1215 PolarHBondContact O-N 2.83Å
1212L90.5Very high90.6Very high7 Ų725.2 Ų25.24%0.03718%0.177CC..Hα-helixtrans-64.3-41.5178.6-174.761.4000112I833 L1208 T1210 V1215 Q1216 L1236I833-L1212 HydrophobicContact CB-CD2 4Å; I833-L1212 HydrophobicContact CG2-CB 4.3Å; I833-L1212 HydrophobicContact CG2-CD2 3.76Å; L1208-L1212 WeakPolarHBondContact O-CB 3.5Å; L1208-L1212 PolarHBondContact O-N 3Å; T1210-L1212 PolarHBondContact O-N 3.17Å; L1212-V1215 PolarHBondContact O-N 3.35Å; L1212-Q1216 HydrophobicContact CD1-CG 4.48Å; L1212-Q1216 WeakPolarHBondContact O-CB 3.11Å; L1212-Q1216 VanDerWaalsContact O-CG 3.26Å; L1212-Q1216 WeakPolarHBondContact O-CG 3.32Å; L1212-Q1216 PolarHBondContact O-N 2.98Å; L1212-L1236 HydrophobicContact CD1-CD1 4.01Å; L1212-L1236 HydrophobicContact CD1-CD2 4.09Å; L1212-L1236 HydrophobicContact CD1-CG 4.48Å; L1212-L1236 HydrophobicContact CD2-CD1 4.49Å
1213A90.4Very high90.9Very high47 Ų4722.5 Ų22.539%0.38815%0.149SC..Hα-helixtrans-65.4-37.8176.500000112.5H1209 T1210 S1211 A1217H1209-A1213 WeakPolarHBondContact O-CB 3.35Å; H1209-A1213 PolarHBondContact O-N 3.28Å; H1209-A1213 VanDerWaalsContact O-N 3.12Å; T1210-A1213 PolarHBondContact O-N 3.48Å; S1211-A1213 PolarHBondContact O-N 2.96Å; A1213-A1217 PolarHBondContact O-N 3Å; A1213-A1217 VanDerWaalsContact O-N 3.1Å
1214E93.4Very high91.1Very high23 Ų2324.9 Ų24.911%0.10716%0.159CC..Hα-helixtrans-62.3-49172.3-71.1171.2179.200111Y112 G117 I118 R1193 T1210 S1211 Q1216 A1217 V1218Y112-E1214 HydrophobicContact CE2-CB 4.31Å; G117-E1214 VanDerWaalsContact CA-OE2 3.26Å; G117-E1214 WeakPolarHBondContact CA-OE2 3.48Å; I118-E1214 HydrophobicContact CD1-CB 4.15Å; I118-E1214 HydrophobicContact CD1-CG 4.25Å; I118-E1214 HydrophobicContact CG1-CB 4.25Å; I118-E1214 HydrophobicContact CG1-CG 4.23Å; R1193-E1214 WeakPolarHBondContact CD-OE2 3.26Å; R1193-E1214 IonicContact CZ-OE2 3.8Å; R1193-E1214 IonicContact NE-OE1 2.76Å; R1193-E1214 IonicContact NE-OE2 3.34Å; R1193-E1214 PolarHBondContact NE-OE2 2.84Å; R1193-E1214 IonicContact NH2-OE1 3.29Å; R1193-E1214 IonicContact NH2-OE2 2.74Å; T1210-E1214 WeakPolarHBondContact O-CG 3.25Å; T1210-E1214 PolarHBondContact O-N 3.26Å; S1211-E1214 PolarHBondContact O-N 3.46Å; E1214-Q1216 VanDerWaalsContact C-N 3.35Å; E1214-Q1216 PolarHBondContact O-N 3.31Å; E1214-A1217 PolarHBondContact O-N 3.39Å; E1214-V1218 WeakPolarHBondContact O-CG2 3.23Å; E1214-V1218 PolarHBondContact O-N 3.46Å
1215V92.9Very high91.3Very high0 Ų024.8 Ų24.80%016%0.159CC..Hα-helixtrans-58.7-44.1177.3166.90000111.8F1191 S1211 L1212 A1217 V1218 V1219 L1254 V1256F1191-V1215 HydrophobicContact CB-CG2 3.86Å; F1191-V1215 HydrophobicContact CD1-CG2 3.81Å; F1191-V1215 HydrophobicContact CD2-CB 4.26Å; F1191-V1215 HydrophobicContact CD2-CG1 3.71Å; F1191-V1215 HydrophobicContact CD2-CG2 3.61Å; F1191-V1215 HydrophobicContact CE1-CG2 4.22Å; F1191-V1215 HydrophobicContact CE2-CB 4.25Å; F1191-V1215 HydrophobicContact CE2-CG1 3.53Å; F1191-V1215 HydrophobicContact CE2-CG2 4.02Å; F1191-V1215 HydrophobicContact CG-CG1 4.44Å; F1191-V1215 HydrophobicContact CG-CG2 3.48Å; F1191-V1215 VanDerWaalsContact CG-CG2 3.48Å; F1191-V1215 HydrophobicContact CZ-CG1 4.16Å; F1191-V1215 HydrophobicContact CZ-CG2 4.31Å; S1211-V1215 WeakPolarHBondContact O-CB 3.33Å; S1211-V1215 VanDerWaalsContact O-CG2 3.28Å; S1211-V1215 WeakPolarHBondContact O-CG2 3.31Å; S1211-V1215 PolarHBondContact O-N 2.83Å; L1212-V1215 PolarHBondContact O-N 3.35Å; V1215-A1217 VanDerWaalsContact C-N 3.35Å; V1215-A1217 PolarHBondContact O-N 3.36Å; V1215-V1218 PolarHBondContact O-N 3.41Å; V1215-V1219 HydrophobicContact CG1-CG2 4.28Å; V1215-V1219 WeakPolarHBondContact O-CB 3.33Å; V1215-V1219 WeakPolarHBondContact O-CG2 3.34Å; V1215-V1219 PolarHBondContact O-N 3.26Å; V1215-L1254 HydrophobicContact CG2-CD1 4.15Å; V1215-V1256 HydrophobicContact CG1-CB 4.27Å; V1215-V1256 HydrophobicContact CG1-CG2 3.59Å
1216Q91.6Very high91.5Very high40 Ų4023 Ų2319%0.18715%0.146CC..Hα-helixtrans-64.8-36.2177.7-75.2-175.4-45.300113.3S831 L1169 L1212 E1214 G1220 Y1234S831-Q1216 PolarHBondContact OG-NE2 2.82Å; S831-Q1216 PolarHBondContact OG-OE1 3.21Å; L1169-Q1216 HydrophobicContact CD1-CB 3.66Å; L1169-Q1216 HydrophobicContact CD1-CG 3.58Å; L1212-Q1216 HydrophobicContact CD1-CG 4.48Å; L1212-Q1216 WeakPolarHBondContact O-CB 3.11Å; L1212-Q1216 VanDerWaalsContact O-CG 3.26Å; L1212-Q1216 WeakPolarHBondContact O-CG 3.32Å; L1212-Q1216 PolarHBondContact O-N 2.98Å; E1214-Q1216 VanDerWaalsContact C-N 3.35Å; E1214-Q1216 PolarHBondContact O-N 3.31Å; Q1216-G1220 PolarHBondContact O-N 3.14Å; Q1216-Y1234 WeakPolarHBondContact CG-OH 3.14Å; Q1216-Y1234 PolarHBondContact NE2-OH 3.07Å; Q1216-Y1234 VanDerWaalsContact NE2-OH 3.17Å
1217A91.9Very high91.6Very high48 Ų4824 Ų2440%0.39716%0.156SC..Hα-helixtrans-66-42.4174.100000111.6I118 A1213 E1214 V1215 A1221I118-A1217 HydrophobicContact CD1-CB 3.91Å; A1213-A1217 PolarHBondContact O-N 3Å; A1213-A1217 VanDerWaalsContact O-N 3.1Å; E1214-A1217 PolarHBondContact O-N 3.39Å; V1215-A1217 VanDerWaalsContact C-N 3.35Å; V1215-A1217 PolarHBondContact O-N 3.36Å; A1217-A1221 WeakPolarHBondContact O-CB 3.27Å; A1217-A1221 PolarHBondContact O-N 3.02Å
1218V94.1Very high91.6Very high6 Ų624.1 Ų24.14%0.03616%0.158CC..Hα-helixtrans-60.8-56.8174.6174.50000110.4P110 Y112 F1191 E1214 V1215 G1220 A1221 H1222P110-V1218 HydrophobicContact CB-CG2 4.07Å; P110-V1218 HydrophobicContact CG-CG2 4.4Å; Y112-V1218 HydrophobicContact CD2-CG2 4.5Å; F1191-V1218 HydrophobicContact CE1-CB 4.16Å; F1191-V1218 HydrophobicContact CE1-CG1 3.91Å; F1191-V1218 HydrophobicContact CE1-CG2 4.29Å; F1191-V1218 HydrophobicContact CZ-CB 4.01Å; F1191-V1218 HydrophobicContact CZ-CG1 3.7Å; E1214-V1218 WeakPolarHBondContact O-CG2 3.23Å; E1214-V1218 PolarHBondContact O-N 3.46Å; V1215-V1218 PolarHBondContact O-N 3.41Å; V1218-G1220 VanDerWaalsContact C-N 3.31Å; V1218-G1220 PolarHBondContact O-N 3.17Å; V1218-A1221 WeakPolarHBondContact O-CB 3.22Å; V1218-A1221 PolarHBondContact O-N 3.48Å; V1218-H1222 PolarHBondContact O-CD2 3.43Å; V1218-H1222 VanDerWaalsContact O-CD2 3.22Å; V1218-H1222 PolarHBondContact O-N 2.9Å
1219V93.9Very high91.7Very high0 Ų026.6 Ų26.60%017%0.171CC..Hα-helixtrans-62.1-37.1-177.1168.70000112.3L1187 F1191 V1215 H1222 T1223 L1231 V1256L1187-V1219 HydrophobicContact CD1-CG1 3.97Å; L1187-V1219 HydrophobicContact CD2-CB 4.5Å; L1187-V1219 HydrophobicContact CD2-CG1 3.68Å; L1187-V1219 HydrophobicContact CD2-CG2 4.03Å; L1187-V1219 HydrophobicContact CG-CG1 4.5Å; F1191-V1219 HydrophobicContact CE2-CG2 4.1Å; F1191-V1219 HydrophobicContact CZ-CG2 4.24Å; V1215-V1219 HydrophobicContact CG1-CG2 4.28Å; V1215-V1219 WeakPolarHBondContact O-CB 3.33Å; V1215-V1219 WeakPolarHBondContact O-CG2 3.34Å; V1215-V1219 PolarHBondContact O-N 3.26Å; V1219-H1222 PolarHBondContact O-N 3.05Å; V1219-T1223 PolarHBondContact O-N 3.04Å; V1219-T1223 PolarHBondContact O-OG1 3.35Å; V1219-L1231 HydrophobicContact CG1-CD2 3.3Å; V1219-V1256 HydrophobicContact CG1-CG1 4.41Å; V1219-V1256 HydrophobicContact CG2-CG1 4.13Å
1220G93.4Very high92Very high10 Ų1022 Ų2210%0.10315%0.15CC..Hα-helixtrans-63.2-40172.200000113Q1216 V1218 T1224Q1216-G1220 PolarHBondContact O-N 3.14Å; V1218-G1220 VanDerWaalsContact C-N 3.31Å; V1218-G1220 PolarHBondContact O-N 3.17Å; G1220-T1224 WeakPolarHBondContact O-CB 3.45Å; G1220-T1224 PolarHBondContact O-N 3.49Å; G1220-T1224 PolarHBondContact O-OG1 2.93Å
1221A92.9Very high92.1Very high19 Ų1919.7 Ų19.716%0.15714%0.136CC..Hα-helixtrans-66.5-4517500000112P110 A1217 V1218 T1223 T1224 S1225P110-A1221 HydrophobicContact CG-CB 4.18Å; A1217-A1221 WeakPolarHBondContact O-CB 3.27Å; A1217-A1221 PolarHBondContact O-N 3.02Å; V1218-A1221 WeakPolarHBondContact O-CB 3.22Å; V1218-A1221 PolarHBondContact O-N 3.48Å; A1221-T1223 PolarHBondContact O-N 3.22Å; A1221-T1224 PolarHBondContact O-N 3.28Å; A1221-S1225 WeakPolarHBondContact O-CB 3.46Å; A1221-S1225 PolarHBondContact O-N 2.78Å; A1221-S1225 PolarHBondContact O-OG 3.31Å
1222H92.6Very high92.1Very high8 Ų819.7 Ų19.74%0.03714%0.136CC..Hα-helixtrans-56.2-51.3174.1-79.1-79.8000111.5Y90 F91 L1187 F1189 V1218 V1219 T1224 S1225 L1226Y90-H1222 PolarHBondContact O-CE1 3.29Å; F91-H1222 AromaticContact CD1-CE1 3.62Å; F91-H1222 AromaticContact CD1-ND1 3.84Å; F91-H1222 AromaticContact CE1-CE1 3.45Å; F91-H1222 VanDerWaalsContact CE1-CE1 3.45Å; F91-H1222 WeakPolarHBondContact CE1-CE1 3.42Å; F91-H1222 AromaticContact CE1-ND1 3.75Å; L1187-H1222 HydrophobicContact CD1-CB 4.33Å; F1189-H1222 AromaticContact CE1-NE2 3.81Å; F1189-H1222 AromaticContact CZ-CE1 3.88Å; F1189-H1222 AromaticContact CZ-ND1 3.95Å; F1189-H1222 AromaticContact CZ-NE2 3.99Å; V1218-H1222 PolarHBondContact O-CD2 3.43Å; V1218-H1222 VanDerWaalsContact O-CD2 3.22Å; V1218-H1222 PolarHBondContact O-N 2.9Å; V1219-H1222 PolarHBondContact O-N 3.05Å; H1222-T1224 VanDerWaalsContact C-N 3.33Å; H1222-T1224 PolarHBondContact O-N 3.06Å; H1222-S1225 PolarHBondContact O-N 3.33Å; H1222-S1225 PolarHBondContact O-OG 3.35Å; H1222-L1226 PolarHBondContact O-N 3.32Å
1223T92.8Very high92.2Very high0 Ų019.4 Ų19.40%013%0.134CC..Hα-helixtrans-57.5-44.9178-51.60000111.9C1167 V1219 A1221 S1225 L1226 G1228 A1230 M1260C1167-T1223 VanDerWaalsContact SG-CG2 3.51Å; V1219-T1223 PolarHBondContact O-N 3.04Å; V1219-T1223 PolarHBondContact O-OG1 3.35Å; A1221-T1223 PolarHBondContact O-N 3.22Å; T1223-S1225 PolarHBondContact O-N 3.42Å; T1223-L1226 PolarHBondContact O-N 3.43Å; T1223-G1228 VanDerWaalsContact O-CA 3.3Å; T1223-G1228 WeakPolarHBondContact O-CA 3.39Å; T1223-G1228 PolarHBondContact O-N 3.07Å; T1223-A1230 WeakPolarHBondContact CG2-O 3.41Å; T1223-M1260 HydrophobicContact CG2-CB 4.16Å; T1223-M1260 HydrophobicContact CG2-CG 4.02Å
1224T92.7Very high92.2Very high75 Ų7517.4 Ų17.446%0.4612%0.117SC..Hα-helixtrans-66.4-37.6-179.5-520000112.1G1220 A1221 H1222 L1226 G1227 G1228G1220-T1224 WeakPolarHBondContact O-CB 3.45Å; G1220-T1224 PolarHBondContact O-N 3.49Å; G1220-T1224 PolarHBondContact O-OG1 2.93Å; A1221-T1224 PolarHBondContact O-N 3.28Å; H1222-T1224 VanDerWaalsContact C-N 3.33Å; H1222-T1224 PolarHBondContact O-N 3.06Å; T1224-L1226 VanDerWaalsContact C-N 3.31Å; T1224-L1226 PolarHBondContact O-N 3.4Å; T1224-G1227 WeakPolarHBondContact O-CA 3.43Å; T1224-G1227 PolarHBondContact O-N 3.48Å; T1224-G1228 WeakPolarHBondContact CA-O 3.35Å
1225S90.1Very high92Very high15 Ų1519.5 Ų19.511%0.10513%0.126CC..Hα-helixtrans-71.4-21.4-177.974.90000115.2L105 N106 F109 A1221 H1222 T1223L105-S1225 WeakPolarHBondContact CD1-OG 3.4Å; L105-S1225 WeakPolarHBondContact CG-OG 3.48Å; N106-S1225 PolarHBondContact N-O 3.47Å; F109-S1225 VanDerWaalsContact CE1-CB 3.49Å; F109-S1225 WeakPolarHBondContact CE1-OG 2.98Å; F109-S1225 VanDerWaalsContact CZ-OG 3.32Å; F109-S1225 WeakPolarHBondContact CZ-OG 3.46Å; A1221-S1225 WeakPolarHBondContact O-CB 3.46Å; A1221-S1225 PolarHBondContact O-N 2.78Å; A1221-S1225 PolarHBondContact O-OG 3.31Å; H1222-S1225 PolarHBondContact O-N 3.33Å; H1222-S1225 PolarHBondContact O-OG 3.35Å; T1223-S1225 PolarHBondContact O-N 3.42Å
1226L89.2Confident91.8Very high16 Ų1620.2 Ų20.28%0.08413%0.13CC..THydrogen-bonded Turntrans-81.60.8168.8-70.1168.5000112.3P95 L96 L105 L1184 H1222 T1223 T1224 M1260P95-L1226 HydrophobicContact CB-CD1 4.11Å; L96-L1226 HydrophobicContact CD2-CD2 3.43Å; L96-L1226 VanDerWaalsContact CD2-CD2 3.43Å; L96-L1226 HydrophobicContact CG-CD2 4.25Å; L105-L1226 HydrophobicContact CB-CD2 4.08Å; L105-L1226 HydrophobicContact CD1-CD2 3.96Å; L105-L1226 HydrophobicContact CD1-CG 4.1Å; L105-L1226 HydrophobicContact CG-CD2 4.5Å; L1184-L1226 HydrophobicContact CD1-CB 4.22Å; H1222-L1226 PolarHBondContact O-N 3.32Å; T1223-L1226 PolarHBondContact O-N 3.43Å; T1224-L1226 VanDerWaalsContact C-N 3.31Å; T1224-L1226 PolarHBondContact O-N 3.4Å; L1226-M1260 HydrophobicContact CD1-CE 3.46Å; L1226-M1260 VanDerWaalsContact CD1-CE 3.46Å; L1226-M1260 HydrophobicContact CD1-SD 3.56Å; L1226-M1260 VanDerWaalsContact CD1-SD 3.56Å
1227G89.4Confident91.4Very high39 Ų3919 Ų1940%0.40213%0.126SC..THydrogen-bonded Turntrans82.214.6-174.500000114.1T1224 R1262T1224-G1227 WeakPolarHBondContact O-CA 3.43Å; T1224-G1227 PolarHBondContact O-N 3.48Å; G1227-R1262 WeakPolarHBondContact O-CD 3.46Å
1228G91.1Very high90.8Very high6 Ų618.2 Ų18.26%0.06211%0.114CC..  trans-81.2167.4172.300000112.5T1223 T1224 A1261T1223-G1228 VanDerWaalsContact O-CA 3.3Å; T1223-G1228 WeakPolarHBondContact O-CA 3.39Å; T1223-G1228 PolarHBondContact O-N 3.07Å; T1224-G1228 WeakPolarHBondContact CA-O 3.35Å; G1228-A1261 WeakPolarHBondContact CA-O 3.09Å
1229N92.3Very high90.1Very high54 Ų5418.4 Ų18.429%0.28912%0.115SC..  trans-141.41.6173.262.1-15.9000112.7C1167 I1168 A1261 R1262 I1263C1167-N1229 WeakPolarHBondContact CA-O 3.02Å; I1168-N1229 PolarHBondContact N-O 3.21Å; N1229-A1261 PolarHBondContact N-O 3.31Å; N1229-R1262 VanDerWaalsContact OD1-CA 3.31Å; N1229-R1262 WeakPolarHBondContact OD1-CA 3.42Å; N1229-I1263 PolarHBondContact ND2-O 3.09Å; N1229-I1263 VanDerWaalsContact OD1-CG1 3.29Å; N1229-I1263 WeakPolarHBondContact OD1-CG1 3.49Å; N1229-I1263 PolarHBondContact OD1-N 3.1Å; N1229-I1263 PolarHBondContact OD1-O 3.32Å
1230A92.7Very high89.5Confident0 Ų020.6 Ų20.60%013%0.129CC..EExtended strand (participates in β ladder)trans-143.1148.6169.900000111.9I1168 I1175 T1223 L1232 A1261 I1263I1168-A1230 HydrophobicContact CB-CB 4.26Å; I1168-A1230 CarbonylContact O-C 3.49Å; I1168-A1230 VanDerWaalsContact O-CA 3.22Å; I1168-A1230 WeakPolarHBondContact O-CA 3.38Å; I1175-A1230 HydrophobicContact CD1-CB 4.44Å; T1223-A1230 WeakPolarHBondContact CG2-O 3.41Å; A1230-L1232 HydrophobicContact CB-CD2 4.21Å; A1230-A1261 PolarHBondContact N-O 3.19Å; A1230-A1261 VanDerWaalsContact N-O 3.1Å; A1230-A1261 PolarHBondContact O-N 2.99Å; A1230-A1261 VanDerWaalsContact O-O 3.09Å; A1230-I1263 HydrophobicContact CB-CD1 3.84Å; A1230-I1263 HydrophobicContact CB-CG1 3.95Å; A1230-I1263 HydrophobicContact CB-CG2 4.11Å
1231L93.7Very high88.8Confident0 Ų020.9 Ų20.90%013%0.128CC..EExtended strand (participates in β ladder)trans-112.7108.1164.3-175.266.6000107.3I1168 L1169 T1170 L1187 V1219 Y1234 M1260I1168-L1231 PolarHBondContact O-N 2.92Å; L1169-L1231 HydrophobicContact CD2-CB 3.71Å; L1169-L1231 HydrophobicContact CD2-CD2 4.09Å; T1170-L1231 PolarHBondContact N-O 3.42Å; L1187-L1231 HydrophobicContact CB-CD1 4.23Å; L1187-L1231 HydrophobicContact CD2-CD2 4.32Å; V1219-L1231 HydrophobicContact CG1-CD2 3.3Å; L1231-Y1234 HydrophobicContact CD2-CD2 3.63Å; L1231-Y1234 HydrophobicContact CD2-CE2 4.44Å; L1231-Y1234 HydrophobicContact CD2-CG 4.47Å; L1231-Y1234 HydrophobicContact CG-CD2 4.46Å; L1231-M1260 HydrophobicContact CD1-CB 4.45Å; L1231-M1260 HydrophobicContact CD1-CG 3.65Å
1232L92.9Very high88.2Confident0 Ų023.4 Ų23.40%014%0.139CC..EExtended strand (participates in β ladder)trans-87.7156.1-178.1-55.8176.6000110.2T1170 I1175 V1180 Y1183 A1230 Y1234 G1258 D1259 A1261T1170-L1232 HydrophobicContact CG2-CD2 3.62Å; T1170-L1232 CarbonylContact O-C 3.6Å; I1175-L1232 HydrophobicContact CD1-CD2 3.98Å; I1175-L1232 HydrophobicContact CG1-CD2 4.2Å; V1180-L1232 HydrophobicContact CG2-CD1 3.65Å; Y1183-L1232 HydrophobicContact CE1-CD1 4.04Å; A1230-L1232 HydrophobicContact CB-CD2 4.21Å; L1232-Y1234 PolarHBondContact O-N 3.01Å; L1232-G1258 WeakPolarHBondContact O-CA 3.36Å; L1232-D1259 HydrophobicContact CB-CB 4.46Å; L1232-D1259 PolarHBondContact N-O 3.29Å; L1232-D1259 PolarHBondContact O-N 3.45Å; L1232-A1261 HydrophobicContact CD1-CB 3.69Å; L1232-A1261 HydrophobicContact CG-CB 4.03Å
1233S91.6Very high87.4Confident1 Ų126.4 Ų26.41%0.00715%0.15CC..EExtended strand (participates in β ladder)trans4734.9-174.9-67.20000114C149 T1170 P1171 L1172 S1173 H1235C149-S1233 VanDerWaalsContact CA-OG 3.3Å; C149-S1233 WeakPolarHBondContact CA-OG 3.31Å; C149-S1233 VanDerWaalsContact CB-OG 3.28Å; C149-S1233 WeakPolarHBondContact CB-OG 3.4Å; T1170-S1233 PolarHBondContact O-N 3.05Å; P1171-S1233 WeakPolarHBondContact O-CA 3.39Å; L1172-S1233 PolarHBondContact O-N 2.91Å; S1173-S1233 WeakPolarHBondContact CA-OG 3.02Å; S1233-H1235 PolarHBondContact O-N 3.25Å; S1233-H1235 PolarHBondContact O-ND1 2.99Å
1234Y91.7Very high86.3Confident5 Ų528.5 Ų28.52%0.0216%0.164CC..EExtended strand (participates in β ladder)trans-62.3120.2175.9169.6-94.7000110.1M1046 L1169 T1170 Q1216 L1231 L1232 V1256 C1257M1046-Y1234 HydrophobicContact CE-CD1 3.77Å; M1046-Y1234 HydrophobicContact CE-CE1 4.19Å; M1046-Y1234 HydrophobicContact SD-CD1 3.72Å; M1046-Y1234 HydrophobicContact SD-CE1 3.81Å; L1169-Y1234 HydrophobicContact CB-CG 4.35Å; L1169-Y1234 HydrophobicContact CD1-CE2 4.45Å; T1170-Y1234 WeakPolarHBondContact O-CB 3.5Å; T1170-Y1234 PolarHBondContact O-N 3.41Å; Q1216-Y1234 WeakPolarHBondContact CG-OH 3.14Å; Q1216-Y1234 PolarHBondContact NE2-OH 3.07Å; Q1216-Y1234 VanDerWaalsContact NE2-OH 3.17Å; L1231-Y1234 HydrophobicContact CD2-CD2 3.63Å; L1231-Y1234 HydrophobicContact CD2-CE2 4.44Å; L1231-Y1234 HydrophobicContact CD2-CG 4.47Å; L1231-Y1234 HydrophobicContact CG-CD2 4.46Å; L1232-Y1234 PolarHBondContact O-N 3.01Å; Y1234-V1256 HydrophobicContact CD2-CG1 3.92Å; Y1234-V1256 HydrophobicContact CE2-CG1 3.46Å; Y1234-V1256 VanDerWaalsContact CE2-CG1 3.46Å; Y1234-V1256 HydrophobicContact CE2-CG2 4.45Å; Y1234-C1257 WeakPolarHBondContact CA-O 3.27Å
1235H88.7Confident84.9Confident67 Ų6726.5 Ų26.531%0.3115%0.151SC..EExtended strand (participates in β ladder)trans-148.7160.3175.766.8-77.7000111.9S1233 C1257S1233-H1235 PolarHBondContact O-N 3.25Å; S1233-H1235 PolarHBondContact O-ND1 2.99Å; H1235-C1257 PolarHBondContact N-O 3.16Å; H1235-C1257 PolarHBondContact O-N 2.84Å
1236L88.2Confident84Confident15 Ų1531.1 Ų31.18%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-91.997.1173.2-75.8155.5000108.2R1030 T1044 L1212 V1239 L1254 N1255 V1256R1030-L1236 PolarHBondContact NH2-O 3.46Å; T1044-L1236 HydrophobicContact CG2-CD1 3.77Å; L1212-L1236 HydrophobicContact CD1-CD1 4.01Å; L1212-L1236 HydrophobicContact CD1-CD2 4.09Å; L1212-L1236 HydrophobicContact CD1-CG 4.48Å; L1212-L1236 HydrophobicContact CD2-CD1 4.49Å; L1236-V1239 HydrophobicContact CB-CG2 3.91Å; L1236-V1239 HydrophobicContact CD1-CG2 4.38Å; L1236-V1239 HydrophobicContact CD2-CG2 4.19Å; L1236-V1239 HydrophobicContact CG-CG2 4.39Å; L1236-L1254 HydrophobicContact CD2-CD2 4.49Å; L1236-N1255 CarbonylContact C-O 3.53Å; L1236-N1255 WeakPolarHBondContact CA-O 3.42Å; L1236-V1256 HydrophobicContact CD2-CG2 3.56Å; L1236-V1256 HydrophobicContact CG-CG2 4.44Å
1237S82.7Confident83.3Confident14 Ų1437.5 Ų37.510%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-70.8-32.9179.7-167.20000111.5L224 R1030 N1255L224-S1237 PolarHBondContact O-OG 2.85Å; R1030-S1237 VanDerWaalsContact NH2-C 3.31Å; R1030-S1237 PolarHBondContact NH2-O 3Å; S1237-N1255 PolarHBondContact N-O 3.31Å
1238E79.5Confident83.2Confident33 Ų3337.9 Ų37.915%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-136143.4169.6-71.1-56.5161.900114.1R1030 L1254 N1255R1030-E1238 IonicContact CZ-OE2 3.51Å; R1030-E1238 IonicContact NH1-OE2 2.66Å; R1030-E1238 PolarHBondContact NH1-OE2 3.09Å; E1238-L1254 WeakPolarHBondContact O-CA 3.42Å; E1238-N1255 HydrophobicContact CB-CB 3.84Å; E1238-N1255 PolarHBondContact N-O 3.45Å; E1238-N1255 PolarHBondContact O-N 2.94Å
1239V79.6Confident83Confident9 Ų940.1 Ų40.16%0.05521%0.208CC..EExtended strand (participates in β ladder)trans-144.9102.1174.3-178.50000108I833 I1042 T1044 L1236 V1241 L1253 L1254I833-V1239 HydrophobicContact CD1-CG1 3.9Å; I1042-V1239 HydrophobicContact CD1-CG1 3.86Å; I1042-V1239 HydrophobicContact CG2-CG1 4.34Å; T1044-V1239 HydrophobicContact CG2-CG2 4.36Å; L1236-V1239 HydrophobicContact CB-CG2 3.91Å; L1236-V1239 HydrophobicContact CD1-CG2 4.38Å; L1236-V1239 HydrophobicContact CD2-CG2 4.19Å; L1236-V1239 HydrophobicContact CG-CG2 4.39Å; V1239-V1241 HydrophobicContact CG1-CG2 4.18Å; V1239-L1253 WeakPolarHBondContact CA-O 3.45Å; V1239-L1254 HydrophobicContact CB-CD2 4.31Å; V1239-L1254 HydrophobicContact CG1-CD2 3.9Å; V1239-L1254 HydrophobicContact CG2-CD2 4.01Å
1240V81.6Confident82.8Confident47 Ų4737.7 Ų37.729%0.28520%0.196SC..EExtended strand (participates in β ladder)trans-113.6136.3173-177.50000108.1L228 L1242 C1252 L1253L228-V1240 HydrophobicContact CD1-CG2 4.47Å; V1240-L1242 HydrophobicContact CG1-CD2 4.28Å; V1240-L1242 HydrophobicContact CG1-CG 4.25Å; V1240-C1252 CarbonylContact O-C 3.48Å; V1240-C1252 WeakPolarHBondContact O-CA 3.5Å; V1240-C1252 WeakPolarHBondContact O-CB 3.25Å; V1240-L1253 HydrophobicContact CB-CB 4.22Å; V1240-L1253 HydrophobicContact CB-CD1 4.36Å; V1240-L1253 PolarHBondContact N-O 3.26Å; V1240-L1253 PolarHBondContact O-N 3.08Å
1241V79.6Confident82.6Confident15 Ų1538.6 Ų38.69%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-130.8109.2-176.6-175.40000108.6I1042 I1204 L1208 V1239 C1252I1042-V1241 HydrophobicContact CD1-CG2 3.79Å; I1204-V1241 HydrophobicContact CD1-CG1 3.56Å; I1204-V1241 HydrophobicContact CG1-CG1 3.89Å; L1208-V1241 HydrophobicContact CD1-CG1 4.41Å; L1208-V1241 HydrophobicContact CD1-CG2 3.96Å; L1208-V1241 HydrophobicContact CD2-CG2 3.92Å; V1239-V1241 HydrophobicContact CG1-CG2 4.18Å; V1241-C1252 HydrophobicContact CG2-CB 4.28Å
1242L80Confident82.4Confident72 Ų7238.6 Ų38.638%0.37720%0.2SC..EExtended strand (participates in β ladder)trans-103.1126.9179.8-61.5176.1000109V1240 A1250 Q1251V1240-L1242 HydrophobicContact CG1-CD2 4.28Å; V1240-L1242 HydrophobicContact CG1-CG 4.25Å; L1242-A1250 WeakPolarHBondContact O-CA 3.08Å; L1242-Q1251 HydrophobicContact CB-CB 4.44Å; L1242-Q1251 PolarHBondContact N-O 3.22Å; L1242-Q1251 PolarHBondContact O-N 3.29Å; L1242-Q1251 VanDerWaalsContact O-O 3.1Å
1243R74.7Confident82.3Confident71 Ų7139.2 Ų39.227%0.26820%0.203SC..  trans-138.294.7-175-176.3-174165.8-151-21.1109.9E837 L1198 T1245E837-R1243 IonicContact OE2-CZ 2.73Å; E837-R1243 IonicContact OE2-NH1 3.9Å; E837-R1243 PolarHBondContact OE2-NH1 2.89Å; L1198-R1243 HydrophobicContact CD2-CG 4.29Å; R1243-T1245 VanDerWaalsContact O-CG2 3.23Å; R1243-T1245 WeakPolarHBondContact O-CG2 3.41Å; R1243-T1245 PolarHBondContact O-N 3.23Å
1244P70.1Confident82.3Confident45 Ų4539.4 Ų39.429%0.29220%0.204SC..  trans-63.7107.2171.4-15.829.3000108.7S1246 R1247P1244-S1246 PolarHBondContact O-N 2.88Å; P1244-R1247 HydrophobicContact CB-CB 4.38Å; P1244-R1247 HydrophobicContact CB-CG 4.31Å; P1244-R1247 WeakPolarHBondContact O-CB 3.47Å; P1244-R1247 PolarHBondContact O-N 3.29Å
1245T64.5Low82.3Confident33 Ų3339.2 Ų39.220%0.20220%0.203CC..THydrogen-bonded Turntrans-70.1-33.2-157.7580000114D1035 D1036 R1243 R1247D1035-T1245 HydrophobicContact CB-CG2 4.18Å; D1036-T1245 HydrophobicContact CB-CG2 3.72Å; D1036-T1245 VanDerWaalsContact CG-OG1 3.28Å; D1036-T1245 WeakPolarHBondContact OD1-CB 3.3Å; D1036-T1245 WeakPolarHBondContact OD1-CG2 3.43Å; D1036-T1245 PolarHBondContact OD1-OG1 3.03Å; D1036-T1245 WeakPolarHBondContact OD2-CB 3.38Å; D1036-T1245 WeakPolarHBondContact OD2-CG2 3.5Å; R1243-T1245 VanDerWaalsContact O-CG2 3.23Å; R1243-T1245 WeakPolarHBondContact O-CG2 3.41Å; R1243-T1245 PolarHBondContact O-N 3.23Å; T1245-R1247 PolarHBondContact O-N 3.14Å
1246S69.3Low82.5Confident112 Ų11236 Ų3678%0.78319%0.189SC*.THydrogen-bonded Turntrans-64.8-10.9170.8600000114.4P1244P1244-S1246 PolarHBondContact O-N 2.88Å
1247R75.6Confident82.8Confident149 Ų14935.4 Ų35.456%0.56219%0.185SC*.THydrogen-bonded Turntrans-115155.6-174-55.5-170.5-177.3175.41.6111.5P1244 T1245 Q1249P1244-R1247 HydrophobicContact CB-CB 4.38Å; P1244-R1247 HydrophobicContact CB-CG 4.31Å; P1244-R1247 WeakPolarHBondContact O-CB 3.47Å; P1244-R1247 PolarHBondContact O-N 3.29Å; T1245-R1247 PolarHBondContact O-N 3.14Å; R1247-Q1249 HydrophobicContact CB-CB 3.97Å; R1247-Q1249 HydrophobicContact CB-CG 4.19Å; R1247-Q1249 PolarHBondContact O-N 3.23Å
1248N86.2Confident83.3Confident47 Ų4734.7 Ų34.725%0.25118%0.181SC..THydrogen-bonded Turntrans-76.424.2170.8-16229.5000111.9T1196 D1197 L1198 R1199T1196-N1248 CarbonylContact C-O 3.59Å; T1196-N1248 PolarHBondContact O-ND2 2.55Å; D1197-N1248 WeakPolarHBondContact CA-ND2 3.32Å; D1197-N1248 PolarHBondContact N-O 3.38Å; L1198-N1248 WeakPolarHBondContact CB-O 3.5Å; L1198-N1248 PolarHBondContact N-O 3.26Å; L1198-N1248 PolarHBondContact N-OD1 3.21Å; R1199-N1248 WeakPolarHBondContact CB-OD1 3.36Å; R1199-N1248 WeakPolarHBondContact CD-OD1 3.46Å; R1199-N1248 WeakPolarHBondContact CG-OD1 3.43Å; R1199-N1248 PolarHBondContact N-OD1 3.2Å
1249Q87.6Confident84Confident54 Ų5433.2 Ų33.225%0.25217%0.174SC..  trans-109.5148-167.2-75.2171.3-17.200111T1195 T1196 R1247T1195-Q1249 WeakPolarHBondContact O-CA 3.23Å; T1196-Q1249 HydrophobicContact CG2-CG 4.4Å; R1247-Q1249 HydrophobicContact CB-CB 3.97Å; R1247-Q1249 HydrophobicContact CB-CG 4.19Å; R1247-Q1249 PolarHBondContact O-N 3.23Å
1250A87.9Confident84.7Confident3 Ų333 Ų333%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-148.9146.8164.800000110.1E1194 T1195 L1198 I1204 F1207 L1242E1194-A1250 CarbonylContact C-O 3.6Å; E1194-A1250 WeakPolarHBondContact CA-O 3.28Å; T1195-A1250 HydrophobicContact CG2-CB 4.11Å; T1195-A1250 PolarHBondContact N-O 3.29Å; T1195-A1250 PolarHBondContact O-N 3.4Å; T1195-A1250 VanDerWaalsContact O-N 3.12Å; L1198-A1250 HydrophobicContact CD1-CB 3.84Å; L1198-A1250 HydrophobicContact CD2-CB 4.11Å; L1198-A1250 HydrophobicContact CG-CB 4.48Å; I1204-A1250 HydrophobicContact CD1-CB 3.7Å; F1207-A1250 HydrophobicContact CD1-CB 4.17Å; F1207-A1250 HydrophobicContact CE1-CB 4.02Å; L1242-A1250 WeakPolarHBondContact O-CA 3.08Å
1251Q89.1Confident85.3Confident19 Ų1930.7 Ų30.79%0.08916%0.158CC..EExtended strand (participates in β ladder)trans-120.8144.7169.8-166.3-156.475.600107.8N189 R192 V1192 R1193 E1194 L1242 L1253N189-Q1251 PolarHBondContact OD1-NE2 3Å; R192-Q1251 VanDerWaalsContact NH2-NE2 3.19Å; V1192-Q1251 HydrophobicContact CG1-CG 3.9Å; R1193-Q1251 CarbonylContact O-C 3.1Å; R1193-Q1251 VanDerWaalsContact O-CA 3.24Å; R1193-Q1251 WeakPolarHBondContact O-CA 3.34Å; E1194-Q1251 HydrophobicContact CB-CG 4.37Å; L1242-Q1251 HydrophobicContact CB-CB 4.44Å; L1242-Q1251 PolarHBondContact N-O 3.22Å; L1242-Q1251 PolarHBondContact O-N 3.29Å; L1242-Q1251 VanDerWaalsContact O-O 3.1Å; Q1251-L1253 VanDerWaalsContact OE1-CD1 3.31Å
1252C89.8Confident85.9Confident0 Ų035.1 Ų35.10%017%0.173CC..EExtended strand (participates in β ladder)trans-134.9144.3165.866.50000111.2V1192 R1193 F1207 L1208 V1240 V1241V1192-C1252 WeakPolarHBondContact CA-O 3.43Å; R1193-C1252 PolarHBondContact N-O 3.49Å; R1193-C1252 PolarHBondContact O-N 3.49Å; F1207-C1252 HydrophobicContact CE1-CB 3.99Å; L1208-C1252 HydrophobicContact CD2-CB 3.63Å; V1240-C1252 CarbonylContact O-C 3.48Å; V1240-C1252 WeakPolarHBondContact O-CA 3.5Å; V1240-C1252 WeakPolarHBondContact O-CB 3.25Å; V1241-C1252 HydrophobicContact CG2-CB 4.28Å
1253L90.3Very high86.5Confident13 Ų1331.8 Ų31.87%0.06816%0.156CC..EExtended strand (participates in β ladder)trans-105.7130.1169.4-63.968.4000107.1F196 L228 F1191 V1192 V1239 V1240 Q1251F196-L1253 HydrophobicContact CE2-CD2 4.03Å; L228-L1253 HydrophobicContact CD1-CD2 3.76Å; F1191-L1253 WeakPolarHBondContact O-CA 3.3Å; V1192-L1253 HydrophobicContact CG2-CG 4.34Å; V1239-L1253 WeakPolarHBondContact CA-O 3.45Å; V1240-L1253 HydrophobicContact CB-CB 4.22Å; V1240-L1253 HydrophobicContact CB-CD1 4.36Å; V1240-L1253 PolarHBondContact N-O 3.26Å; V1240-L1253 PolarHBondContact O-N 3.08Å; Q1251-L1253 VanDerWaalsContact OE1-CD1 3.31Å
1254L91.9Very high87.2Confident5 Ų529.9 Ų29.93%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-128.3122.3177.9-57.7173.6000108.2F1191 V1215 L1236 E1238 V1239F1191-L1254 HydrophobicContact CB-CB 4.42Å; F1191-L1254 PolarHBondContact N-O 2.72Å; F1191-L1254 PolarHBondContact O-N 3.5Å; V1215-L1254 HydrophobicContact CG2-CD1 4.15Å; L1236-L1254 HydrophobicContact CD2-CD2 4.49Å; E1238-L1254 WeakPolarHBondContact O-CA 3.42Å; V1239-L1254 HydrophobicContact CB-CD2 4.31Å; V1239-L1254 HydrophobicContact CG1-CD2 3.9Å; V1239-L1254 HydrophobicContact CG2-CD2 4.01Å
1255N91.7Very high87.8Confident1 Ų131.5 Ų31.51%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-102.9122.8164.9-175.623000109.2F1189 F1190 L1236 S1237 E1238 C1257F1189-N1255 PolarHBondContact O-OD1 2.95Å; F1190-N1255 HydrophobicContact CD1-CB 3.92Å; F1190-N1255 HydrophobicContact CE1-CB 3.5Å; F1190-N1255 VanDerWaalsContact CE1-CG 3.43Å; F1190-N1255 HydrophobicContact CZ-CB 3.87Å; F1190-N1255 WeakPolarHBondContact CZ-ND2 3.4Å; F1190-N1255 WeakPolarHBondContact CZ-OD1 3.42Å; L1236-N1255 CarbonylContact C-O 3.53Å; L1236-N1255 WeakPolarHBondContact CA-O 3.42Å; S1237-N1255 PolarHBondContact N-O 3.31Å; E1238-N1255 HydrophobicContact CB-CB 3.84Å; E1238-N1255 PolarHBondContact N-O 3.45Å; E1238-N1255 PolarHBondContact O-N 2.94Å; N1255-C1257 PolarHBondContact ND2-SG 3.04Å; N1255-C1257 VanDerWaalsContact ND2-SG 3.45Å
1256V93Very high88.1Confident0 Ų035.9 Ų35.90%017%0.172CC..EExtended strand (participates in β ladder)trans-112125.1176.8165.50000109.7L1187 F1189 V1215 V1219 Y1234 L1236L1187-V1256 HydrophobicContact CD2-CG1 4.2Å; F1189-V1256 PolarHBondContact N-O 3.01Å; F1189-V1256 PolarHBondContact O-N 2.7Å; V1215-V1256 HydrophobicContact CG1-CB 4.27Å; V1215-V1256 HydrophobicContact CG1-CG2 3.59Å; V1219-V1256 HydrophobicContact CG1-CG1 4.41Å; V1219-V1256 HydrophobicContact CG2-CG1 4.13Å; Y1234-V1256 HydrophobicContact CD2-CG1 3.92Å; Y1234-V1256 HydrophobicContact CE2-CG1 3.46Å; Y1234-V1256 VanDerWaalsContact CE2-CG1 3.46Å; Y1234-V1256 HydrophobicContact CE2-CG2 4.45Å; L1236-V1256 HydrophobicContact CD2-CG2 3.56Å; L1236-V1256 HydrophobicContact CG-CG2 4.44Å
1257C93.6Very high87.7Confident1 Ų137.6 Ų37.61%0.00717%0.171CC..EExtended strand (participates in β ladder)trans-120.8150.5-177.3-66.30000110.8L1187 D1188 Y1234 H1235 N1255L1187-C1257 VanDerWaalsContact O-CA 3.29Å; L1187-C1257 WeakPolarHBondContact O-CA 3.48Å; D1188-C1257 PolarHBondContact OD1-SG 3.13Å; Y1234-C1257 WeakPolarHBondContact CA-O 3.27Å; H1235-C1257 PolarHBondContact N-O 3.16Å; H1235-C1257 PolarHBondContact O-N 2.84Å; N1255-C1257 PolarHBondContact ND2-SG 3.04Å; N1255-C1257 VanDerWaalsContact ND2-SG 3.45Å
1258G94.4Very high86.4Confident0 Ų035.7 Ų35.70%018%0.176CC..EExtended strand (participates in β ladder)trans173.4178.9173.300000114H148 N1186 L1187 L1232H148-G1258 PolarHBondContact ND1-N 3.26Å; H148-G1258 PolarHBondContact ND1-O 2.96Å; N1186-G1258 WeakPolarHBondContact CA-O 3.24Å; L1187-G1258 PolarHBondContact N-O 3.3Å; L1187-G1258 PolarHBondContact O-N 3.19Å; L1187-G1258 VanDerWaalsContact O-N 3.12Å; L1232-G1258 WeakPolarHBondContact O-CA 3.36Å
1259D94.7Very high83.8Confident1 Ų146.1 Ų46.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-112.5111.8-179.6-68.4-23.1000110.6Y147 H148 C149 Y1183 L1232 A1261Y147-D1259 WeakPolarHBondContact CA-OD1 3.46Å; H148-D1259 IonicContact CG-OD1 3.34Å; H148-D1259 PolarHBondContact N-OD1 3.21Å; H148-D1259 PolarHBondContact N-OD2 2.93Å; H148-D1259 IonicContact ND1-OD1 3.8Å; C149-D1259 WeakPolarHBondContact CB-OD2 3.5Å; C149-D1259 PolarHBondContact N-OD2 3.28Å; C149-D1259 PolarHBondContact SG-OD2 3.08Å; Y1183-D1259 HydrophobicContact CD1-CB 4.32Å; Y1183-D1259 HydrophobicContact CE1-CB 4.35Å; L1232-D1259 HydrophobicContact CB-CB 4.46Å; L1232-D1259 PolarHBondContact N-O 3.29Å; L1232-D1259 PolarHBondContact O-N 3.45Å; D1259-A1261 PolarHBondContact O-N 3.08Å
1260M94.2Very high83.6Confident4 Ų445.8 Ų45.82%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-72.8128.7-179.4-68.4-179-68.200109.9P95 L1184 G1185 N1186 L1187 T1223 L1226 L1231P95-M1260 HydrophobicContact CB-CE 3.94Å; P95-M1260 HydrophobicContact CG-CE 3.67Å; L1184-M1260 HydrophobicContact CB-CB 4.11Å; L1184-M1260 PolarHBondContact N-O 3.23Å; G1185-M1260 WeakPolarHBondContact O-CB 3.13Å; G1185-M1260 PolarHBondContact O-N 3.45Å; N1186-M1260 WeakPolarHBondContact O-CE 3.43Å; L1187-M1260 HydrophobicContact CB-CE 4.08Å; L1187-M1260 HydrophobicContact CB-CG 4.03Å; L1187-M1260 HydrophobicContact CB-SD 4.09Å; L1187-M1260 HydrophobicContact CD1-CE 4.44Å; L1187-M1260 HydrophobicContact CD1-CG 4.31Å; L1187-M1260 HydrophobicContact CD1-SD 3.69Å; T1223-M1260 HydrophobicContact CG2-CB 4.16Å; T1223-M1260 HydrophobicContact CG2-CG 4.02Å; L1226-M1260 HydrophobicContact CD1-CE 3.46Å; L1226-M1260 VanDerWaalsContact CD1-CE 3.46Å; L1226-M1260 HydrophobicContact CD1-SD 3.56Å; L1226-M1260 VanDerWaalsContact CD1-SD 3.56Å; L1231-M1260 HydrophobicContact CD1-CB 4.45Å; L1231-M1260 HydrophobicContact CD1-CG 3.65Å
1261A93.4Very high83.4Confident0 Ų048 Ų480%023%0.227CC..EExtended strand (participates in β ladder)trans-139.2152.6-174.800000112.6V1180 A1182 Y1183 G1228 N1229 A1230 L1232 D1259V1180-A1261 HydrophobicContact CG1-CB 4.09Å; V1180-A1261 HydrophobicContact CG2-CB 4.48Å; A1182-A1261 WeakPolarHBondContact O-CA 3.45Å; Y1183-A1261 HydrophobicContact CD1-CB 4.48Å; G1228-A1261 WeakPolarHBondContact CA-O 3.09Å; N1229-A1261 PolarHBondContact N-O 3.31Å; A1230-A1261 PolarHBondContact N-O 3.19Å; A1230-A1261 VanDerWaalsContact N-O 3.1Å; A1230-A1261 PolarHBondContact O-N 2.99Å; A1230-A1261 VanDerWaalsContact O-O 3.09Å; L1232-A1261 HydrophobicContact CD1-CB 3.69Å; L1232-A1261 HydrophobicContact CG-CB 4.03Å; D1259-A1261 PolarHBondContact O-N 3.08Å
1262R92.8Very high83.1Confident107 Ų10749.6 Ų49.640%0.40424%0.235SC..EExtended strand (participates in β ladder)trans-103.3111.1160.5-162.5173.675.4-146.23.3108.8E1181 A1182 G1227 N1229E1181-R1262 PolarHBondContact N-O 2.74Å; E1181-R1262 IonicContact OE2-CZ 3Å; E1181-R1262 IonicContact OE2-NE 3.49Å; E1181-R1262 PolarHBondContact OE2-NE 3.29Å; E1181-R1262 IonicContact OE2-NH2 3.3Å; E1181-R1262 PolarHBondContact OE2-NH2 3.22Å; A1182-R1262 PolarHBondContact N-O 2.62Å; A1182-R1262 PolarHBondContact O-N 2.78Å; G1227-R1262 WeakPolarHBondContact O-CD 3.46Å; N1229-R1262 VanDerWaalsContact OD1-CA 3.31Å; N1229-R1262 WeakPolarHBondContact OD1-CA 3.42Å
1263I91.6Very high82.7Confident2 Ų252.5 Ų52.51%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-98.5146.6175.759.5167.8000110.6I1168 I1175 T1178 Y1179 V1180 N1229 A1230I1168-I1263 HydrophobicContact CD1-CD1 4.21Å; I1175-I1263 HydrophobicContact CD1-CD1 3.72Å; T1178-I1263 HydrophobicContact CG2-CD1 4.44Å; Y1179-I1263 WeakPolarHBondContact O-CA 3.5Å; V1180-I1263 HydrophobicContact CG2-CG2 3.96Å; N1229-I1263 PolarHBondContact ND2-O 3.09Å; N1229-I1263 VanDerWaalsContact OD1-CG1 3.29Å; N1229-I1263 WeakPolarHBondContact OD1-CG1 3.49Å; N1229-I1263 PolarHBondContact OD1-N 3.1Å; N1229-I1263 PolarHBondContact OD1-O 3.32Å; A1230-I1263 HydrophobicContact CB-CD1 3.84Å; A1230-I1263 HydrophobicContact CB-CG1 3.95Å; A1230-I1263 HydrophobicContact CB-CG2 4.11Å
1264S90Very high82.2Confident31 Ų3155 Ų5522%0.21726%0.26CS..EExtended strand (participates in β ladder)trans-123.3143.7166.4-89.10000110.2T1178 Y1179 E1181T1178-S1264 WeakPolarHBondContact CA-O 3.33Å; T1178-S1264 WeakPolarHBondContact CB-O 3.47Å; Y1179-S1264 WeakPolarHBondContact CD1-O 3.47Å; Y1179-S1264 VanDerWaalsContact CZ-CB 3.47Å; Y1179-S1264 PolarHBondContact N-O 3Å; Y1179-S1264 PolarHBondContact O-N 3.48Å; E1181-S1264 VanDerWaalsContact CD-OG 3.3Å; E1181-S1264 VanDerWaalsContact OE1-CB 3.32Å; E1181-S1264 WeakPolarHBondContact OE1-CB 3.46Å; E1181-S1264 PolarHBondContact OE1-OG 2.93Å
1265W82.8Confident81.6Confident80 Ų8058.3 Ų58.330%0.30328%0.276SS..EExtended strand (participates in β ladder)trans-74.6138.1176.4-61.391000109.3N826 I1168 I1175 T1178 I1267N826-W1265 WeakPolarHBondContact OD1-CZ3 3.39Å; I1168-W1265 HydrophobicContact CD1-CZ2 4.07Å; I1175-W1265 HydrophobicContact CG2-CH2 4.5Å; T1178-W1265 HydrophobicContact CG2-CD2 3.83Å; T1178-W1265 HydrophobicContact CG2-CE3 3.42Å; T1178-W1265 VanDerWaalsContact CG2-CE3 3.42Å; T1178-W1265 HydrophobicContact CG2-CH2 3.98Å; T1178-W1265 HydrophobicContact CG2-CZ2 4.34Å; T1178-W1265 HydrophobicContact CG2-CZ3 3.5Å; W1265-I1267 PolarHBondContact O-N 3.07Å
1266E69.6Low80.8Confident125 Ų12562.4 Ų62.458%0.58430%0.295SS*.  trans-71.2103172.6-168.4162-144.300108.2N1177 T1268N1177-E1266 PolarHBondContact O-N 3.15Å; E1266-T1268 PolarHBondContact O-N 3.47Å
1267I61.6Low79.9Confident147 Ų14767.2 Ų67.275%0.75432%0.318SS*.  trans-70.789.4173.9-54.7174.7000106.8W1265 K1269W1265-I1267 PolarHBondContact O-N 3.07Å; I1267-K1269 PolarHBondContact O-N 2.88Å
1268T48.4Very low78.8Confident109 Ų10972.8 Ų72.867%0.66934%0.344SS*.  trans-57.3106.5167.943.90000108.3E1266E1266-T1268 PolarHBondContact O-N 3.47Å
1269K31.8Very low77.4Confident267 Ų26779.4 Ų79.4100%1.16138%0.375SS*.  trans-87.80176.2-86.3-174.8168.8-178.10111.5I1267I1267-K1269 PolarHBondContact O-N 2.88Å

Retrieved 1,269 of 1,269 residues in 1198.5 ms (Link to these results)

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