A0A096NG88_PAPAN Loading...

Protein mono-ADP-ribosyltransferase PARP12

AlphaFold DB , UniProt , Accession A0A096NG88, Species PAPAN (Papio anubis, Olive baboon), Gene PARP12, Length 701 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
1M42.4Very low76.5Confident223 Ų22359 Ų59100%1.09937%0.368SS*.  0-41.80-61.7-165.7-151.200113.1Q3 A4 G5M1-Q3 PolarHBondContact O-N 3.27Å; M1-A4 PolarHBondContact O-N 3.44Å; M1-G5 PolarHBondContact O-N 3.33Å
2A54.7Low78Confident86 Ų8660.4 Ų60.471%0.71137%0.367SS*.Hα-helixtrans-56.6-40.8-178.400000115.3A4 G5 V6A2-A4 PolarHBondContact O-N 3.03Å; A2-G5 PolarHBondContact O-N 3.19Å; A2-V6 WeakPolarHBondContact O-CG2 3.5Å; A2-V6 PolarHBondContact O-N 2.84Å
3Q64.9Low79.3Confident136 Ų13657.7 Ų57.764%0.63635%0.35SS*.Hα-helixtrans-69.3-33.3-179-168176.56.100113.5M1 V6 V7M1-Q3 PolarHBondContact O-N 3.27Å; Q3-V6 PolarHBondContact O-N 3.18Å; Q3-V7 WeakPolarHBondContact O-CG2 3.28Å; Q3-V7 PolarHBondContact O-N 2.98Å; Q3-V7 VanDerWaalsContact O-N 3.14Å
4A68.4Low80.4Confident74 Ų7453.6 Ų53.661%0.61233%0.325SS*.Hα-helixtrans-70.2-38.6177.700000111.6M1 A2 V6 V7 G8M1-A4 PolarHBondContact O-N 3.44Å; A2-A4 PolarHBondContact O-N 3.03Å; A4-V6 VanDerWaalsContact C-N 3.35Å; A4-V6 PolarHBondContact O-N 3.14Å; A4-V7 PolarHBondContact O-N 3.35Å; A4-G8 PolarHBondContact O-N 3.22Å
5G77.1Confident81.5Confident49 Ų4950.4 Ų50.451%0.50531%0.306SS..Hα-helixtrans-60.9-42174.100000112.6M1 A2 G8 E9M1-G5 PolarHBondContact O-N 3.33Å; A2-G5 PolarHBondContact O-N 3.19Å; G5-G8 PolarHBondContact O-N 3.08Å; G5-E9 PolarHBondContact O-N 3.45Å
6V82.6Confident82.3Confident21 Ų2151.7 Ų51.713%0.12732%0.324CS..Hα-helixtrans-67.2-43.3177.9176.50000112.2A2 Q3 A4 G8 E9 V10 L34 L42A2-V6 WeakPolarHBondContact O-CG2 3.5Å; A2-V6 PolarHBondContact O-N 2.84Å; Q3-V6 PolarHBondContact O-N 3.18Å; A4-V6 VanDerWaalsContact C-N 3.35Å; A4-V6 PolarHBondContact O-N 3.14Å; V6-G8 VanDerWaalsContact C-N 3.26Å; V6-G8 PolarHBondContact O-N 3.21Å; V6-E9 PolarHBondContact O-N 2.8Å; V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 VanDerWaalsContact O-CG2 3.3Å; V6-V10 WeakPolarHBondContact O-CG2 3.12Å; V6-V10 PolarHBondContact O-N 3.39Å; V6-L34 HydrophobicContact CG1-CD1 3.55Å; V6-L34 HydrophobicContact CG1-CD2 4.08Å; V6-L34 HydrophobicContact CG1-CG 4.45Å; V6-L34 HydrophobicContact CG2-CD2 4.4Å; V6-L42 HydrophobicContact CB-CD1 4.31Å; V6-L42 HydrophobicContact CG1-CD1 3.69Å
7V87.2Confident83Confident13 Ų1350.3 Ų50.38%0.07932%0.318CS..Hα-helixtrans-60.8-40.5174.6172.80000110.6Q3 A4 T11 L42 R48 F49Q3-V7 WeakPolarHBondContact O-CG2 3.28Å; Q3-V7 PolarHBondContact O-N 2.98Å; Q3-V7 VanDerWaalsContact O-N 3.14Å; A4-V7 PolarHBondContact O-N 3.35Å; V7-T11 WeakPolarHBondContact O-CB 3.29Å; V7-T11 PolarHBondContact O-N 3.24Å; V7-T11 PolarHBondContact O-OG1 2.75Å; V7-L42 HydrophobicContact CG2-CD1 3.59Å; V7-L42 HydrophobicContact CG2-CG 4.23Å; V7-R48 HydrophobicContact CG1-CG 4.41Å; V7-F49 HydrophobicContact CG1-CE2 4.09Å; V7-F49 HydrophobicContact CG1-CZ 3.97Å; V7-F49 HydrophobicContact CG2-CE2 4.5Å
8G88.7Confident83.5Confident9 Ų948.7 Ų48.79%0.09331%0.313CS..Hα-helixtrans-59.9-50.6175.600000112.4A4 G5 V6 T11 Q12 H134A4-G8 PolarHBondContact O-N 3.22Å; G5-G8 PolarHBondContact O-N 3.08Å; V6-G8 VanDerWaalsContact C-N 3.26Å; V6-G8 PolarHBondContact O-N 3.21Å; G8-T11 PolarHBondContact O-N 3.44Å; G8-Q12 WeakPolarHBondContact O-CB 3.25Å; G8-Q12 PolarHBondContact O-N 2.99Å; G8-H134 VanDerWaalsContact C-NE2 3.3Å; G8-H134 VanDerWaalsContact CA-CE1 3.49Å; G8-H134 WeakPolarHBondContact CA-CE1 3.14Å; G8-H134 VanDerWaalsContact CA-NE2 3.31Å; G8-H134 WeakPolarHBondContact CA-NE2 3.49Å; G8-H134 PolarHBondContact O-NE2 3.37Å
9E89.9Confident84.1Confident34 Ų3446.2 Ų46.216%0.15930%0.297CS..Hα-helixtrans-59.5-48.7178.8-173.5-175.8-179.600111.9G5 V6 T11 Q12 V13 L30 R31 M32G5-E9 PolarHBondContact O-N 3.45Å; V6-E9 PolarHBondContact O-N 2.8Å; E9-T11 VanDerWaalsContact C-N 3.31Å; E9-T11 PolarHBondContact O-N 3.22Å; E9-Q12 WeakPolarHBondContact O-CB 3.3Å; E9-Q12 PolarHBondContact O-N 3.28Å; E9-V13 HydrophobicContact CG-CG2 4.48Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.34Å; E9-L30 HydrophobicContact CG-CD2 4.13Å; E9-R31 VanDerWaalsContact OE1-CB 3.3Å; E9-R31 WeakPolarHBondContact OE1-CB 3.49Å; E9-R31 PolarHBondContact OE1-N 2.78Å; E9-M32 VanDerWaalsContact OE2-CG 3.24Å; E9-M32 WeakPolarHBondContact OE2-CG 3.37Å
10V91.8Very high84.7Confident0 Ų044.6 Ų44.60%029%0.288CS..Hα-helixtrans-60.8-42.8178.3176.30000110.9V6 Q12 V13 L14 L26 L30 L39 L42 F49V6-V10 HydrophobicContact CG1-CG2 4.4Å; V6-V10 VanDerWaalsContact O-CG2 3.3Å; V6-V10 WeakPolarHBondContact O-CG2 3.12Å; V6-V10 PolarHBondContact O-N 3.39Å; V10-Q12 VanDerWaalsContact C-N 3.32Å; V10-Q12 PolarHBondContact O-N 2.68Å; V10-V13 PolarHBondContact O-N 2.98Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 HydrophobicContact CG1-CG 4.48Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 VanDerWaalsContact O-CG 3.23Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.01Å; V10-L26 HydrophobicContact CG1-CD1 4.33Å; V10-L26 HydrophobicContact CG1-CD2 4.19Å; V10-L30 HydrophobicContact CB-CD2 4.36Å; V10-L30 HydrophobicContact CG2-CD1 4.07Å; V10-L30 HydrophobicContact CG2-CD2 3.58Å; V10-L30 HydrophobicContact CG2-CG 4.5Å; V10-L39 HydrophobicContact CG2-CD1 4.5Å; V10-L42 HydrophobicContact CB-CD2 4.24Å; V10-L42 HydrophobicContact CG1-CD2 4.28Å; V10-L42 HydrophobicContact CG2-CD2 3.82Å; V10-F49 HydrophobicContact CB-CE1 4.05Å; V10-F49 HydrophobicContact CB-CZ 3.81Å; V10-F49 HydrophobicContact CG1-CD1 4.09Å; V10-F49 HydrophobicContact CG1-CE1 3.47Å; V10-F49 VanDerWaalsContact CG1-CE1 3.47Å; V10-F49 HydrophobicContact CG1-CE2 4.37Å; V10-F49 HydrophobicContact CG1-CZ 3.62Å
11T93.6Very high85.1Confident4 Ų443.3 Ų43.33%0.02528%0.278CS..Hα-helixtrans-61.7-42.9177.2-550000111.1V7 G8 E9 C15 V132 L135V7-T11 WeakPolarHBondContact O-CB 3.29Å; V7-T11 PolarHBondContact O-N 3.24Å; V7-T11 PolarHBondContact O-OG1 2.75Å; G8-T11 PolarHBondContact O-N 3.44Å; E9-T11 VanDerWaalsContact C-N 3.31Å; E9-T11 PolarHBondContact O-N 3.22Å; T11-C15 WeakPolarHBondContact O-CB 3.43Å; T11-C15 PolarHBondContact O-N 3.48Å; T11-C15 PolarHBondContact O-SG 3.12Å; T11-V132 HydrophobicContact CG2-CG1 4.42Å; T11-L135 HydrophobicContact CG2-CD1 4.11Å
12Q94.6Very high87.5Confident76 Ų7637 Ų3736%0.35525%0.246SC..Hα-helixtrans-64.1-50.6178.9-171.3177.320.600111.7G8 E9 V10 L14 C15 A16 L135 E139G8-Q12 WeakPolarHBondContact O-CB 3.25Å; G8-Q12 PolarHBondContact O-N 2.99Å; E9-Q12 WeakPolarHBondContact O-CB 3.3Å; E9-Q12 PolarHBondContact O-N 3.28Å; V10-Q12 VanDerWaalsContact C-N 3.32Å; V10-Q12 PolarHBondContact O-N 2.68Å; Q12-L14 VanDerWaalsContact C-N 3.28Å; Q12-L14 PolarHBondContact O-N 3.09Å; Q12-C15 PolarHBondContact O-N 3.48Å; Q12-C15 VanDerWaalsContact O-N 3.15Å; Q12-A16 WeakPolarHBondContact O-CB 3.37Å; Q12-A16 PolarHBondContact O-N 3.29Å; Q12-L135 HydrophobicContact CB-CD2 3.73Å; Q12-L135 HydrophobicContact CG-CD2 3.97Å; Q12-E139 WeakPolarHBondContact CG-OE1 3.41Å
13V94.7Very high89.1Confident25 Ų2533.4 Ų33.415%0.15222%0.215CC..Hα-helixtrans-57.7-42178.71710000111.4E9 V10 A17 L21 L26 R29 L30E9-V13 HydrophobicContact CG-CG2 4.48Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.34Å; V10-V13 PolarHBondContact O-N 2.98Å; V13-A17 WeakPolarHBondContact O-CB 3.46Å; V13-A17 PolarHBondContact O-N 2.63Å; V13-L21 HydrophobicContact CG1-CD1 3.78Å; V13-L26 HydrophobicContact CB-CD1 4.4Å; V13-L26 HydrophobicContact CG1-CD1 3.85Å; V13-R29 HydrophobicContact CG1-CB 3.69Å; V13-L30 HydrophobicContact CG2-CD2 4.33Å
14L95.6Very high90.2Very high0 Ų031.3 Ų31.30%021%0.213CC..Hα-helixtrans-64.3-49.8175.5-70.9170.1000111.5V10 Q12 A16 A17 G18 G19 L21 L26 F49 V66 A68V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 HydrophobicContact CG1-CG 4.48Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 VanDerWaalsContact O-CG 3.23Å; V10-L14 WeakPolarHBondContact O-CG 3.4Å; V10-L14 PolarHBondContact O-N 3.01Å; Q12-L14 VanDerWaalsContact C-N 3.28Å; Q12-L14 PolarHBondContact O-N 3.09Å; L14-A16 PolarHBondContact O-N 3Å; L14-A17 CarbonylContact O-C 3.59Å; L14-A17 PolarHBondContact O-N 2.68Å; L14-A17 VanDerWaalsContact O-N 3.09Å; L14-G18 PolarHBondContact O-N 3.3Å; L14-G19 WeakPolarHBondContact O-CA 3.49Å; L14-G19 PolarHBondContact O-N 2.85Å; L14-L21 HydrophobicContact CD2-CB 3.88Å; L14-L21 HydrophobicContact CD2-CD1 4.41Å; L14-L21 HydrophobicContact CD2-CG 4.29Å; L14-L26 HydrophobicContact CD2-CD1 4.19Å; L14-L26 HydrophobicContact CD2-CD2 4.44Å; L14-L26 HydrophobicContact CG-CD1 4.27Å; L14-F49 HydrophobicContact CD1-CD1 3.71Å; L14-F49 HydrophobicContact CD1-CE1 3.89Å; L14-V66 HydrophobicContact CD1-CG1 3.87Å; L14-V66 HydrophobicContact CD2-CB 4.27Å; L14-V66 HydrophobicContact CD2-CG1 4.26Å; L14-V66 WeakPolarHBondContact CD2-O 3.45Å; L14-A68 HydrophobicContact CB-CB 3.94Å; L14-A68 HydrophobicContact CD1-CB 4.15Å
15C95.7Very high91.2Very high6 Ų629.3 Ų29.34%0.04119%0.191CC..Hα-helixtrans-63.9-39.7-178.4-65.50000112.2T11 Q12 A17 G18 E139T11-C15 WeakPolarHBondContact O-CB 3.43Å; T11-C15 PolarHBondContact O-N 3.48Å; T11-C15 PolarHBondContact O-SG 3.12Å; Q12-C15 PolarHBondContact O-N 3.48Å; Q12-C15 VanDerWaalsContact O-N 3.15Å; C15-A17 PolarHBondContact O-N 3.42Å; C15-G18 PolarHBondContact O-N 3.38Å; C15-E139 HydrophobicContact CB-CB 3.71Å; C15-E139 HydrophobicContact CB-CG 4.04Å
16A94.4Very high91.9Very high71 Ų7127 Ų2759%0.58717%0.167SC*.Hα-helixtrans-62.1-28.2174.300000112.6Q12 L14 E139Q12-A16 WeakPolarHBondContact O-CB 3.37Å; Q12-A16 PolarHBondContact O-N 3.29Å; L14-A16 PolarHBondContact O-N 3Å; A16-E139 HydrophobicContact CB-CG 4.49Å
17A94.4Very high92.1Very high28 Ų2831 Ų3123%0.23118%0.18CC..THydrogen-bonded Turntrans-94.220.4178.200000114.2V13 L14 C15 L21V13-A17 WeakPolarHBondContact O-CB 3.46Å; V13-A17 PolarHBondContact O-N 2.63Å; L14-A17 CarbonylContact O-C 3.59Å; L14-A17 PolarHBondContact O-N 2.68Å; L14-A17 VanDerWaalsContact O-N 3.09Å; C15-A17 PolarHBondContact O-N 3.42Å; A17-L21 HydrophobicContact CB-CD1 3.69Å; A17-L21 HydrophobicContact CB-CD2 3.54Å; A17-L21 HydrophobicContact CB-CG 3.51Å
18G93.1Very high92.2Very high22 Ų2239.3 Ų39.323%0.22721%0.21CC..THydrogen-bonded Turntrans83.621.2-179.200000113.8L14 C15 A20 Q142 N229L14-G18 PolarHBondContact O-N 3.3Å; C15-G18 PolarHBondContact O-N 3.38Å; G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 3.05Å; G18-Q142 VanDerWaalsContact C-CD 3.49Å; G18-Q142 PolarHBondContact O-NE2 2.89Å; G18-N229 PolarHBondContact O-ND2 3.4Å
19G94.9Very high92.2Very high0 Ų044.4 Ų44.40%023%0.226CC..SBendtrans83.30.8170.600000115.8L14 L67 A68 Q146L14-G19 WeakPolarHBondContact O-CA 3.49Å; L14-G19 PolarHBondContact O-N 2.85Å; G19-L67 WeakPolarHBondContact O-CA 3.47Å; G19-A68 PolarHBondContact O-N 3.39Å; G19-Q146 PolarHBondContact O-NE2 3.22Å
20A94.9Very high92.1Very high14 Ų1443.6 Ų43.612%0.11622%0.223CC..EExtended strand (participates in β ladder)trans-151.1144.3175.800000111.7G18 V65 V66 L67 N229G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 3.05Å; A20-V65 HydrophobicContact CB-CG1 3.93Å; A20-V66 CarbonylContact C-O 3.48Å; A20-V66 WeakPolarHBondContact CA-O 3.49Å; A20-L67 HydrophobicContact CB-CD2 4.06Å; A20-L67 HydrophobicContact CB-CG 3.85Å; A20-N229 WeakPolarHBondContact CB-OD1 3.25Å
21L93.8Very high91.2Very high18 Ų1854.7 Ų54.79%0.09427%0.265CS..EExtended strand (participates in β ladder)trans-141.7149.2173.7-79.3173.1000110.8V13 L14 A17 E25 L26 V65 V66V13-L21 HydrophobicContact CG1-CD1 3.78Å; L14-L21 HydrophobicContact CD2-CB 3.88Å; L14-L21 HydrophobicContact CD2-CD1 4.41Å; L14-L21 HydrophobicContact CD2-CG 4.29Å; A17-L21 HydrophobicContact CB-CD1 3.69Å; A17-L21 HydrophobicContact CB-CD2 3.54Å; A17-L21 HydrophobicContact CB-CG 3.51Å; L21-E25 HydrophobicContact CD2-CG 3.85Å; L21-L26 HydrophobicContact CB-CB 4.23Å; L21-L26 HydrophobicContact CD1-CD1 4.28Å; L21-V65 CarbonylContact O-C 3.29Å; L21-V65 WeakPolarHBondContact O-CA 3.37Å; L21-V66 PolarHBondContact N-O 2.84Å; L21-V66 PolarHBondContact O-N 3.22Å
22E92Very high89.8Confident91 Ų9159.8 Ų59.843%0.42529%0.29SS..EExtended strand (participates in β ladder)trans-60.1142.8165.6-69.4167.9-143.900110.5P24 E25 L26 V65E22-P24 VanDerWaalsContact C-CD 3.5Å; E22-E25 HydrophobicContact CB-CB 4.31Å; E22-E25 PolarHBondContact O-N 3.15Å; E22-L26 PolarHBondContact O-N 3.32Å; E22-V65 HydrophobicContact CG-CG2 4.16Å
23L89.6Confident88.3Confident10 Ų1060.4 Ų60.45%0.05232%0.317CS..Hα-helixtrans-57.2-41.5-176.5-17963.6000113.6E25 R27 L39 L43 R64 V66L23-E25 VanDerWaalsContact C-N 3.34Å; L23-R27 WeakPolarHBondContact O-CG 3.25Å; L23-R27 PolarHBondContact O-N 2.99Å; L23-R27 VanDerWaalsContact O-N 3.12Å; L23-L39 HydrophobicContact CD1-CD2 3.83Å; L23-L39 HydrophobicContact CD1-CG 4.47Å; L23-L43 HydrophobicContact CD1-CD1 3.67Å; L23-R64 HydrophobicContact CB-CB 4.3Å; L23-R64 PolarHBondContact N-O 3.21Å; L23-V66 HydrophobicContact CB-CG2 4.3Å; L23-V66 HydrophobicContact CD1-CG2 3.84Å
24P87.8Confident87.3Confident92 Ų9261.8 Ų61.860%0.59732%0.323SS*.Hα-helixtrans-62.7-40.4174.3-22.335.1000112.6E22 R27 R28E22-P24 VanDerWaalsContact C-CD 3.5Å; P24-R27 WeakPolarHBondContact O-CB 3.23Å; P24-R27 PolarHBondContact O-N 3.28Å; P24-R28 PolarHBondContact O-N 3.21Å; P24-R28 VanDerWaalsContact O-N 3.14Å
25E89.8Confident86.5Confident33 Ų3365 Ų6515%0.15435%0.346CS..Hα-helixtrans-70.3-38.5-179.8179.759.7-17700112.3L21 E22 L23 R27 R28 R29L21-E25 HydrophobicContact CD2-CG 3.85Å; E22-E25 HydrophobicContact CB-CB 4.31Å; E22-E25 PolarHBondContact O-N 3.15Å; L23-E25 VanDerWaalsContact C-N 3.34Å; E25-R27 VanDerWaalsContact C-N 3.31Å; E25-R27 PolarHBondContact O-N 2.9Å; E25-R28 PolarHBondContact O-N 2.98Å; E25-R28 IonicContact OE1-CZ 2.99Å; E25-R28 IonicContact OE1-NE 2.76Å; E25-R28 IonicContact OE1-NH2 3.02Å; E25-R28 PolarHBondContact OE1-NH2 3.17Å; E25-R28 IonicContact OE2-CZ 3.28Å; E25-R28 IonicContact OE2-NE 2.78Å; E25-R28 PolarHBondContact OE2-NE 3.39Å; E25-R28 IonicContact OE2-NH2 2.63Å; E25-R28 PolarHBondContact OE2-NH2 3.16Å; E25-R29 WeakPolarHBondContact O-CG 3.38Å; E25-R29 PolarHBondContact O-N 3.29Å; E25-R29 VanDerWaalsContact O-N 3.13Å; E25-R29 IonicContact OE1-CZ 3.47Å; E25-R29 IonicContact OE1-NE 3.82Å; E25-R29 PolarHBondContact OE1-NE 3.33Å; E25-R29 IonicContact OE1-NH2 3.63Å; E25-R29 PolarHBondContact OE1-NH2 3.24Å
26L90.8Very high85.6Confident0 Ų066.8 Ų66.80%036%0.361CS..Hα-helixtrans-58.2-46.4172.4177.961.5000110.5V10 V13 L14 L21 E22 R28 R29 L30 V66V10-L26 HydrophobicContact CG1-CD1 4.33Å; V10-L26 HydrophobicContact CG1-CD2 4.19Å; V13-L26 HydrophobicContact CB-CD1 4.4Å; V13-L26 HydrophobicContact CG1-CD1 3.85Å; L14-L26 HydrophobicContact CD2-CD1 4.19Å; L14-L26 HydrophobicContact CD2-CD2 4.44Å; L14-L26 HydrophobicContact CG-CD1 4.27Å; L21-L26 HydrophobicContact CB-CB 4.23Å; L21-L26 HydrophobicContact CD1-CD1 4.28Å; E22-L26 PolarHBondContact O-N 3.32Å; L26-R28 VanDerWaalsContact C-N 3.28Å; L26-R28 PolarHBondContact O-N 3.29Å; L26-R29 PolarHBondContact O-N 3.42Å; L26-R29 VanDerWaalsContact O-N 3.15Å; L26-L30 HydrophobicContact CD1-CD1 4.33Å; L26-L30 HydrophobicContact CD1-CD2 4.4Å; L26-L30 HydrophobicContact CD1-CG 4.28Å; L26-L30 HydrophobicContact CG-CD1 4.13Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.21Å; L26-V66 HydrophobicContact CD2-CB 3.92Å; L26-V66 HydrophobicContact CD2-CG1 3.94Å; L26-V66 HydrophobicContact CD2-CG2 3.92Å
27R87.6Confident84.9Confident105 Ų10568.6 Ų68.640%0.39636%0.361SS..Hα-helixtrans-58.3-39.8177.4-73.7173.6-180-173.30.2112.3L23 P24 E25 R29 L39 E40L23-R27 WeakPolarHBondContact O-CG 3.25Å; L23-R27 PolarHBondContact O-N 2.99Å; L23-R27 VanDerWaalsContact O-N 3.12Å; P24-R27 WeakPolarHBondContact O-CB 3.23Å; P24-R27 PolarHBondContact O-N 3.28Å; E25-R27 VanDerWaalsContact C-N 3.31Å; E25-R27 PolarHBondContact O-N 2.9Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R27-R29 PolarHBondContact O-N 3.03Å; R27-L39 HydrophobicContact CG-CD2 3.44Å; R27-L39 VanDerWaalsContact CG-CD2 3.44Å; R27-E40 IonicContact NH2-OE1 2.7Å
28R87.8Confident84.3Confident187 Ų18768.4 Ų68.471%0.70636%0.359SS*.Hα-helixtrans-66.6-32.8178.5-171.9175.768.2152.35.2113P24 E25 L26P24-R28 PolarHBondContact O-N 3.21Å; P24-R28 VanDerWaalsContact O-N 3.14Å; E25-R28 PolarHBondContact O-N 2.98Å; E25-R28 IonicContact OE1-CZ 2.99Å; E25-R28 IonicContact OE1-NE 2.76Å; E25-R28 IonicContact OE1-NH2 3.02Å; E25-R28 PolarHBondContact OE1-NH2 3.17Å; E25-R28 IonicContact OE2-CZ 3.28Å; E25-R28 IonicContact OE2-NE 2.78Å; E25-R28 PolarHBondContact OE2-NE 3.39Å; E25-R28 IonicContact OE2-NH2 2.63Å; E25-R28 PolarHBondContact OE2-NH2 3.16Å; L26-R28 VanDerWaalsContact C-N 3.28Å; L26-R28 PolarHBondContact O-N 3.29Å
29R90.1Very high83.9Confident116 Ų11667.4 Ų67.444%0.43835%0.349SS..Hα-helixtrans-88.3-14.2-175.8-68.4-171.9-169.3-163.64.8114.7V13 E25 L26 R27V13-R29 HydrophobicContact CG1-CB 3.69Å; E25-R29 WeakPolarHBondContact O-CG 3.38Å; E25-R29 PolarHBondContact O-N 3.29Å; E25-R29 VanDerWaalsContact O-N 3.13Å; E25-R29 IonicContact OE1-CZ 3.47Å; E25-R29 IonicContact OE1-NE 3.82Å; E25-R29 PolarHBondContact OE1-NE 3.33Å; E25-R29 IonicContact OE1-NH2 3.63Å; E25-R29 PolarHBondContact OE1-NH2 3.24Å; L26-R29 PolarHBondContact O-N 3.42Å; L26-R29 VanDerWaalsContact O-N 3.15Å; R27-R29 VanDerWaalsContact C-N 3.33Å; R27-R29 PolarHBondContact O-N 3.03Å
30L88Confident83.5Confident17 Ų1769.2 Ų69.29%0.08936%0.357CS..  trans-75128.1177-68.3167.4000109.7E9 V10 V13 L26 M32 L34 L39E9-L30 HydrophobicContact CG-CD2 4.13Å; V10-L30 HydrophobicContact CB-CD2 4.36Å; V10-L30 HydrophobicContact CG2-CD1 4.07Å; V10-L30 HydrophobicContact CG2-CD2 3.58Å; V10-L30 HydrophobicContact CG2-CG 4.5Å; V13-L30 HydrophobicContact CG2-CD2 4.33Å; L26-L30 HydrophobicContact CD1-CD1 4.33Å; L26-L30 HydrophobicContact CD1-CD2 4.4Å; L26-L30 HydrophobicContact CD1-CG 4.28Å; L26-L30 HydrophobicContact CG-CD1 4.13Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.27Å; L26-L30 PolarHBondContact O-N 3.21Å; L30-M32 VanDerWaalsContact C-N 3.34Å; L30-L34 HydrophobicContact CD1-CD1 4.11Å; L30-L39 HydrophobicContact CD1-CD1 4.08Å; L30-L39 HydrophobicContact CD1-CD2 4.33Å
31R71.4Confident82.9Confident234 Ų23476.3 Ų76.388%0.88338%0.381SS*.SBendtrans-75.5-31.1-178.4-60.5177.9178.5172.8-0.1111.1E9E9-R31 VanDerWaalsContact OE1-CB 3.3Å; E9-R31 WeakPolarHBondContact OE1-CB 3.49Å; E9-R31 PolarHBondContact OE1-N 2.78Å
32M65.6Low82.5Confident110 Ų11076.1 Ų76.154%0.54238%0.38SS..SBendtrans-77.9122.1173.4-61.3-60.5-69.100108.9E9 L30 L34E9-M32 VanDerWaalsContact OE2-CG 3.24Å; E9-M32 WeakPolarHBondContact OE2-CG 3.37Å; L30-M32 VanDerWaalsContact C-N 3.34Å; M32-L34 HydrophobicContact CB-CD1 4.45Å; M32-L34 HydrophobicContact CB-CG 4.15Å; M32-L34 PolarHBondContact O-N 3.22Å
33G63.2Low82.2Confident90 Ų9072.3 Ų72.393%0.92836%0.362SS*.  trans-66.261.3174.300000112.9S35G33-S35 PolarHBondContact O-N 3.16Å
34L73.5Confident81.8Confident54 Ų5479.5 Ų79.528%0.28339%0.389SS..  trans-66.6125.3178.3-70.3160.8000108.6V6 L30 M32 A38V6-L34 HydrophobicContact CG1-CD1 3.55Å; V6-L34 HydrophobicContact CG1-CD2 4.08Å; V6-L34 HydrophobicContact CG1-CG 4.45Å; V6-L34 HydrophobicContact CG2-CD2 4.4Å; L30-L34 HydrophobicContact CD1-CD1 4.11Å; M32-L34 HydrophobicContact CB-CD1 4.45Å; M32-L34 HydrophobicContact CB-CG 4.15Å; M32-L34 PolarHBondContact O-N 3.22Å; L34-A38 HydrophobicContact CD2-CB 4.32Å
35S77.9Confident81.2Confident67 Ų6778.8 Ų78.847%0.46938%0.378SS..  trans-57.9149.517058.80000110.3G33 D37 A38 L39G33-S35 PolarHBondContact O-N 3.16Å; S35-D37 PolarHBondContact O-N 3.15Å; S35-D37 VanDerWaalsContact O-N 3.12Å; S35-A38 PolarHBondContact O-N 2.65Å; S35-A38 WeakPolarHBondContact OG-CB 3.32Å; S35-A38 PolarHBondContact OG-N 2.78Å; S35-L39 PolarHBondContact O-N 3Å; S35-L39 VanDerWaalsContact O-N 3.09Å
36A77.1Confident80.2Confident44 Ų4488.2 Ų88.236%0.36441%0.412SS..Hα-helixtrans-50.5-39.9178.500000111.9L39 E40A36-L39 PolarHBondContact O-N 3.17Å; A36-E40 WeakPolarHBondContact O-CG 3.42Å; A36-E40 PolarHBondContact O-N 2.85Å
37D79.7Confident79.4Confident108 Ų10890.4 Ų90.458%0.57843%0.434SS*.Hα-helixtrans-70.2-36.7178.9-60.9-38.3000113.4S35 E40 R41S35-D37 PolarHBondContact O-N 3.15Å; S35-D37 VanDerWaalsContact O-N 3.12Å; D37-E40 PolarHBondContact O-N 3.2Å; D37-R41 WeakPolarHBondContact O-CG 3.45Å; D37-R41 PolarHBondContact O-N 3.42Å
38A82.1Confident79.4Confident24 Ų2488 Ų8820%0.19843%0.425CS..Hα-helixtrans-66-41.5176.500000111.2L34 S35 R41 L42L34-A38 HydrophobicContact CD2-CB 4.32Å; S35-A38 PolarHBondContact O-N 2.65Å; S35-A38 WeakPolarHBondContact OG-CB 3.32Å; S35-A38 PolarHBondContact OG-N 2.78Å; A38-R41 PolarHBondContact O-N 2.76Å; A38-L42 PolarHBondContact O-N 2.8Å; A38-L42 VanDerWaalsContact O-N 3.09Å
39L84.5Confident79.6Confident2 Ų279.6 Ų79.61%0.0139%0.394CS..Hα-helixtrans-64.7-45.3174.5-177.560.2000111.3V10 L23 R27 L30 S35 A36 R41 L42 L43V10-L39 HydrophobicContact CG2-CD1 4.5Å; L23-L39 HydrophobicContact CD1-CD2 3.83Å; L23-L39 HydrophobicContact CD1-CG 4.47Å; R27-L39 HydrophobicContact CG-CD2 3.44Å; R27-L39 VanDerWaalsContact CG-CD2 3.44Å; L30-L39 HydrophobicContact CD1-CD1 4.08Å; L30-L39 HydrophobicContact CD1-CD2 4.33Å; S35-L39 PolarHBondContact O-N 3Å; S35-L39 VanDerWaalsContact O-N 3.09Å; A36-L39 PolarHBondContact O-N 3.17Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.15Å; L39-L42 HydrophobicContact CD1-CD2 4.26Å; L39-L42 WeakPolarHBondContact O-CB 3.25Å; L39-L42 PolarHBondContact O-N 2.81Å; L39-L42 VanDerWaalsContact O-N 3.09Å; L39-L43 HydrophobicContact CD1-CD1 4.49Å; L39-L43 HydrophobicContact CD1-CD2 4.41Å; L39-L43 HydrophobicContact CD1-CG 4.22Å; L39-L43 HydrophobicContact CG-CD1 4.17Å; L39-L43 HydrophobicContact CG-CG 4.32Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.32Å; L39-L43 PolarHBondContact O-N 3.33Å
40E85.3Confident79.7Confident38 Ų3874.6 Ų74.618%0.17838%0.376CS..Hα-helixtrans-60.3-38.2177.1-74.2-70.2171.400112.8R27 A36 D37 L43 R44 R64R27-E40 IonicContact NH2-OE1 2.7Å; A36-E40 WeakPolarHBondContact O-CG 3.42Å; A36-E40 PolarHBondContact O-N 2.85Å; D37-E40 PolarHBondContact O-N 3.2Å; E40-L43 PolarHBondContact O-N 3.13Å; E40-R44 WeakPolarHBondContact O-CG 3.41Å; E40-R44 PolarHBondContact O-N 3.27Å; E40-R64 VanDerWaalsContact CD-NH2 3.34Å; E40-R64 IonicContact OE1-CZ 2.8Å; E40-R64 VanDerWaalsContact OE1-CZ 3.24Å; E40-R64 IonicContact OE1-NH1 3.27Å; E40-R64 PolarHBondContact OE1-NH1 3.47Å; E40-R64 IonicContact OE1-NH2 2.8Å; E40-R64 PolarHBondContact OE1-NH2 2.98Å; E40-R64 IonicContact OE2-CZ 3.94Å; E40-R64 IonicContact OE2-NH1 3.58Å; E40-R64 IonicContact OE2-NH2 3.6Å; E40-R64 PolarHBondContact OE2-NH2 3.2Å
41R83.8Confident79.8Confident162 Ų16275.7 Ų75.761%0.61138%0.383SS*.Hα-helixtrans-63.9-40.8173.3-74.6-172.1-62.6-92.23.9112.1D37 A38 L39 R44D37-R41 WeakPolarHBondContact O-CG 3.45Å; D37-R41 PolarHBondContact O-N 3.42Å; A38-R41 PolarHBondContact O-N 2.76Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.15Å; R41-R44 PolarHBondContact O-N 3.06Å
42L85.3Confident80.7Confident14 Ų1464.6 Ų64.67%0.07334%0.342CS..Hα-helixtrans-65.8-41.5177.7-173.5118.7000112V6 V7 V10 A38 L39 R44 Q45 F49V6-L42 HydrophobicContact CB-CD1 4.31Å; V6-L42 HydrophobicContact CG1-CD1 3.69Å; V7-L42 HydrophobicContact CG2-CD1 3.59Å; V7-L42 HydrophobicContact CG2-CG 4.23Å; V10-L42 HydrophobicContact CB-CD2 4.24Å; V10-L42 HydrophobicContact CG1-CD2 4.28Å; V10-L42 HydrophobicContact CG2-CD2 3.82Å; A38-L42 PolarHBondContact O-N 2.8Å; A38-L42 VanDerWaalsContact O-N 3.09Å; L39-L42 HydrophobicContact CD1-CD2 4.26Å; L39-L42 WeakPolarHBondContact O-CB 3.25Å; L39-L42 PolarHBondContact O-N 2.81Å; L39-L42 VanDerWaalsContact O-N 3.09Å; L42-R44 PolarHBondContact O-N 3.33Å; L42-Q45 WeakPolarHBondContact O-CB 3.4Å; L42-Q45 PolarHBondContact O-N 3.38Å; L42-F49 HydrophobicContact CD2-CD2 4.08Å; L42-F49 HydrophobicContact CD2-CE2 3.51Å; L42-F49 HydrophobicContact CD2-CZ 4.12Å; L42-F49 HydrophobicContact CG-CE2 4.08Å
43L85.6Confident81.7Confident12 Ų1262.8 Ų62.86%0.06334%0.337CS..Hα-helixtrans-66.3-18.6178.4-65.6-179.8000113.6L23 L39 E40 Q45 F49 V51 V66L23-L43 HydrophobicContact CD1-CD1 3.67Å; L39-L43 HydrophobicContact CD1-CD1 4.49Å; L39-L43 HydrophobicContact CD1-CD2 4.41Å; L39-L43 HydrophobicContact CD1-CG 4.22Å; L39-L43 HydrophobicContact CG-CD1 4.17Å; L39-L43 HydrophobicContact CG-CG 4.32Å; L39-L43 VanDerWaalsContact O-CG 3.29Å; L39-L43 WeakPolarHBondContact O-CG 3.32Å; L39-L43 PolarHBondContact O-N 3.33Å; E40-L43 PolarHBondContact O-N 3.13Å; L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-F49 HydrophobicContact CD2-CB 3.96Å; L43-F49 HydrophobicContact CD2-CD2 4.29Å; L43-F49 HydrophobicContact CD2-CG 4.05Å; L43-V51 HydrophobicContact CB-CG2 4.02Å; L43-V51 HydrophobicContact CD1-CG2 4.12Å; L43-V51 HydrophobicContact CG-CG2 4.49Å; L43-V66 HydrophobicContact CD1-CG2 3.8Å; L43-V66 HydrophobicContact CD2-CB 4.47Å; L43-V66 HydrophobicContact CD2-CG1 3.44Å; L43-V66 VanDerWaalsContact CD2-CG1 3.44Å; L43-V66 HydrophobicContact CD2-CG2 4.18Å
44R81.4Confident82.8Confident160 Ų16061 Ų6160%0.60430%0.302SS*.THydrogen-bonded Turntrans-78.7-9172.9-69.6170.9-175.8-124.92.7113.2E40 R41 L42 R46E40-R44 WeakPolarHBondContact O-CG 3.41Å; E40-R44 PolarHBondContact O-N 3.27Å; R41-R44 PolarHBondContact O-N 3.06Å; L42-R44 PolarHBondContact O-N 3.33Å; R44-R46 PolarHBondContact O-N 3.32Å; R44-R46 VanDerWaalsContact O-N 3.14Å
45Q73.9Confident82.6Confident78 Ų7862.8 Ų62.836%0.36433%0.325SS..SBendtrans-67.7112178.9-168.1174.73.900110.5L42 L43L42-Q45 WeakPolarHBondContact O-CB 3.4Å; L42-Q45 PolarHBondContact O-N 3.38Å; L43-Q45 VanDerWaalsContact C-N 3.27Å
46R70Confident81.7Confident230 Ų23060.4 Ų60.487%0.86831%0.311SS*.THydrogen-bonded Turntrans-60.5139-176.5-69.3-172.8176-171.2-0.1111.6R44 R48R44-R46 PolarHBondContact O-N 3.32Å; R44-R46 VanDerWaalsContact O-N 3.14Å; R46-R48 VanDerWaalsContact C-N 3.33Å; R46-R48 PolarHBondContact O-N 2.86Å
47G74.5Confident80.5Confident46 Ų4661.1 Ų61.147%0.47432%0.322SS..THydrogen-bonded Turntrans81.40.2171.800000116.1
48R85.9Confident78.8Confident55 Ų5562 Ų6221%0.20835%0.345CS..THydrogen-bonded Turntrans-113.3-39.8177.9-67.3-62.6-169.4150.2-6.2113.6V7 R46 A69 H130 G131V7-R48 HydrophobicContact CG1-CG 4.41Å; R46-R48 VanDerWaalsContact C-N 3.33Å; R46-R48 PolarHBondContact O-N 2.86Å; R48-A69 CarbonylContact C-O 3.41Å; R48-A69 WeakPolarHBondContact CA-O 3.32Å; R48-A69 PolarHBondContact O-N 3.01Å; R48-H130 PolarHBondContact NH1-O 2.84Å; R48-H130 PolarHBondContact NH2-O 3.11Å; R48-G131 PolarHBondContact NH1-O 2.92Å
49F92.2Very high77.2Confident10 Ų1066 Ų664%0.04438%0.378CS..EExtended strand (participates in β ladder)trans-133.4148.7179.4-52.1-67000110.5V7 V10 L14 L42 L43 V66 L67V7-F49 HydrophobicContact CG1-CE2 4.09Å; V7-F49 HydrophobicContact CG1-CZ 3.97Å; V7-F49 HydrophobicContact CG2-CE2 4.5Å; V10-F49 HydrophobicContact CB-CE1 4.05Å; V10-F49 HydrophobicContact CB-CZ 3.81Å; V10-F49 HydrophobicContact CG1-CD1 4.09Å; V10-F49 HydrophobicContact CG1-CE1 3.47Å; V10-F49 VanDerWaalsContact CG1-CE1 3.47Å; V10-F49 HydrophobicContact CG1-CE2 4.37Å; V10-F49 HydrophobicContact CG1-CZ 3.62Å; L14-F49 HydrophobicContact CD1-CD1 3.71Å; L14-F49 HydrophobicContact CD1-CE1 3.89Å; L42-F49 HydrophobicContact CD2-CD2 4.08Å; L42-F49 HydrophobicContact CD2-CE2 3.51Å; L42-F49 HydrophobicContact CD2-CZ 4.12Å; L42-F49 HydrophobicContact CG-CE2 4.08Å; L43-F49 HydrophobicContact CD2-CB 3.96Å; L43-F49 HydrophobicContact CD2-CD2 4.29Å; L43-F49 HydrophobicContact CD2-CG 4.05Å; F49-V66 HydrophobicContact CB-CG1 4.42Å; F49-L67 WeakPolarHBondContact CA-O 3.16Å
50V92.2Very high75.6Confident12 Ų1268.4 Ų68.47%0.07340%0.398CS..EExtended strand (participates in β ladder)trans-123.5133171.4169.70000107.9V66 L67 A69 I233 K236V50-V66 CarbonylContact O-C 3.59Å; V50-V66 WeakPolarHBondContact O-CA 3.45Å; V50-L67 HydrophobicContact CB-CB 4.34Å; V50-L67 HydrophobicContact CB-CD1 4.45Å; V50-L67 HydrophobicContact CG1-CD1 4.21Å; V50-L67 PolarHBondContact N-O 3.24Å; V50-L67 WeakPolarHBondContact O-CD1 3.45Å; V50-L67 PolarHBondContact O-N 3.35Å; V50-A69 HydrophobicContact CG2-CB 3.93Å; V50-I233 HydrophobicContact CB-CG1 4.41Å; V50-I233 HydrophobicContact CG2-CG1 4.33Å; V50-I233 HydrophobicContact CG2-CG2 4.48Å; V50-K236 HydrophobicContact CG1-CB 3.49Å; V50-K236 VanDerWaalsContact CG1-CB 3.49Å; V50-K236 HydrophobicContact CG1-CG 4.11Å
51V90.7Very high74.3Confident39 Ų3970.5 Ų70.524%0.23642%0.422CS..EExtended strand (participates in β ladder)trans-105.7114.7173.4-174.30000108.6L43 V65 V66L43-V51 HydrophobicContact CB-CG2 4.02Å; L43-V51 HydrophobicContact CD1-CG2 4.12Å; L43-V51 HydrophobicContact CG-CG2 4.49Å; V51-V65 CarbonylContact C-O 3.51Å; V51-V65 WeakPolarHBondContact CA-O 3.31Å; V51-V66 HydrophobicContact CG2-CG2 4.46Å
52A89.8Confident73.6Confident2 Ų270.3 Ų70.32%0.01743%0.428CS..EExtended strand (participates in β ladder)trans-107.8161.6176.100000110.7R64 V65 L67 D232A52-R64 WeakPolarHBondContact O-CA 3.2Å; A52-V65 PolarHBondContact N-O 2.95Å; A52-V65 PolarHBondContact O-N 2.76Å; A52-L67 HydrophobicContact CB-CD1 3.68Å; A52-D232 HydrophobicContact CB-CB 3.96Å
53V87.1Confident73.4Confident72 Ų7272.8 Ų72.844%0.43644%0.439SS..EExtended strand (participates in β ladder)trans-115.6121.4172.5179.60000106.7Q62 E63 R64V53-Q62 HydrophobicContact CG1-CB 3.61Å; V53-Q62 HydrophobicContact CG1-CG 4.07Å; V53-E63 WeakPolarHBondContact CA-O 3.28Å; V53-R64 HydrophobicContact CG2-CG 4.49Å
54R86Confident73.5Confident51 Ų5176.9 Ų76.919%0.19245%0.454CS..EExtended strand (participates in β ladder)trans-109.1144.3176.8-64.6-172178.1164-3.3109.1G56 E63 V65 N229 D232R54-G56 PolarHBondContact O-N 3.2Å; R54-E63 PolarHBondContact N-O 3.31Å; R54-E63 PolarHBondContact O-N 3.15Å; R54-V65 HydrophobicContact CB-CG2 4.34Å; R54-V65 HydrophobicContact CG-CG2 4.1Å; R54-N229 PolarHBondContact NH2-OD1 3.33Å; R54-D232 IonicContact CZ-OD2 2.8Å; R54-D232 VanDerWaalsContact CZ-OD2 3.27Å; R54-D232 IonicContact NE-OD2 2.76Å; R54-D232 PolarHBondContact NE-OD2 3.12Å; R54-D232 IonicContact NH2-OD2 3.68Å; R54-D232 PolarHBondContact NH2-OD2 3.09Å
55A68.9Low74.1Confident92 Ų9269.6 Ų69.676%0.7643%0.427SS*.PPolyproline II helixtrans-68.9122.5171.100000108.3
56G59.7Low75Confident17 Ų1765.9 Ų65.918%0.17541%0.41CS..PPolyproline II helixtrans-63.3167.4169.100000110.7R54R54-G56 PolarHBondContact O-N 3.2Å
57G52.8Low76.2Confident59 Ų5954.9 Ų54.961%0.60837%0.368SS*.SBendtrans-53.9170.9173.900000112.3A59 A60G57-A59 PolarHBondContact O-N 3.3Å; G57-A60 PolarHBondContact O-N 2.84Å
58A43.6Very low77.2Confident126 Ų12652.7 Ų52.7100%1.04135%0.346SS*.THydrogen-bonded Turntrans-54.67-165.100000118.7
59A47.2Very low77.5Confident110 Ų11050.5 Ų50.591%0.90934%0.339SS*.THydrogen-bonded Turntrans-143.29.3170.800000114.6G57G57-A59 PolarHBondContact O-N 3.3Å
60A51.2Low77.5Confident51 Ų5150.4 Ų50.442%0.42134%0.34SS..  trans-105.4145.5-173.600000113G57G57-A60 PolarHBondContact O-N 2.84Å
61A58.3Low77.4Confident82 Ų8253.6 Ų53.668%0.67836%0.36SS*.PPolyproline II helixtrans-57.8160.4175.800000111.8E63A61-E63 PolarHBondContact O-N 3.46Å
62Q68.8Low77.5Confident159 Ų15951.8 Ų51.874%0.74335%0.349SS*.PPolyproline II helixtrans-58.1120.7171.2-77.4-176.5-4.200110.6V53V53-Q62 HydrophobicContact CG1-CB 3.61Å; V53-Q62 HydrophobicContact CG1-CG 4.07Å
63E80.7Confident77.7Confident65 Ų6555 Ų5530%0.30436%0.361SS..EExtended strand (participates in β ladder)trans-97.5130.5-174.3-77.2163.6-166.200111V53 R54 A61V53-E63 WeakPolarHBondContact CA-O 3.28Å; R54-E63 PolarHBondContact N-O 3.31Å; R54-E63 PolarHBondContact O-N 3.15Å; A61-E63 PolarHBondContact O-N 3.46Å
64R89.4Confident78Confident98 Ų9851.6 Ų51.637%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-82.5118174.3-72.1-179.667-158.9-1.8109.7L23 E40 A52 V53L23-R64 HydrophobicContact CB-CB 4.3Å; L23-R64 PolarHBondContact N-O 3.21Å; E40-R64 VanDerWaalsContact CD-NH2 3.34Å; E40-R64 IonicContact OE1-CZ 2.8Å; E40-R64 VanDerWaalsContact OE1-CZ 3.24Å; E40-R64 IonicContact OE1-NH1 3.27Å; E40-R64 PolarHBondContact OE1-NH1 3.47Å; E40-R64 IonicContact OE1-NH2 2.8Å; E40-R64 PolarHBondContact OE1-NH2 2.98Å; E40-R64 IonicContact OE2-CZ 3.94Å; E40-R64 IonicContact OE2-NH1 3.58Å; E40-R64 IonicContact OE2-NH2 3.6Å; E40-R64 PolarHBondContact OE2-NH2 3.2Å; A52-R64 WeakPolarHBondContact O-CA 3.2Å; V53-R64 HydrophobicContact CG2-CG 4.49Å
65V92.3Very high78.2Confident7 Ų749.3 Ų49.34%0.04233%0.333CS..EExtended strand (participates in β ladder)trans-113.3131.9179.7-178.90000109.5A20 L21 E22 V51 A52 R54 L67A20-V65 HydrophobicContact CB-CG1 3.93Å; L21-V65 CarbonylContact O-C 3.29Å; L21-V65 WeakPolarHBondContact O-CA 3.37Å; E22-V65 HydrophobicContact CG-CG2 4.16Å; V51-V65 CarbonylContact C-O 3.51Å; V51-V65 WeakPolarHBondContact CA-O 3.31Å; A52-V65 PolarHBondContact N-O 2.95Å; A52-V65 PolarHBondContact O-N 2.76Å; R54-V65 HydrophobicContact CB-CG2 4.34Å; R54-V65 HydrophobicContact CG-CG2 4.1Å; V65-L67 HydrophobicContact CG1-CD1 4.48Å
66V93.6Very high79.1Confident0 Ų052.3 Ų52.30%032%0.324CS..EExtended strand (participates in β ladder)trans-98.9133.2176-176.40000109L14 A20 L21 L23 L26 L43 F49 V50 V51L14-V66 HydrophobicContact CD1-CG1 3.87Å; L14-V66 HydrophobicContact CD2-CB 4.27Å; L14-V66 HydrophobicContact CD2-CG1 4.26Å; L14-V66 WeakPolarHBondContact CD2-O 3.45Å; A20-V66 CarbonylContact C-O 3.48Å; A20-V66 WeakPolarHBondContact CA-O 3.49Å; L21-V66 PolarHBondContact N-O 2.84Å; L21-V66 PolarHBondContact O-N 3.22Å; L23-V66 HydrophobicContact CB-CG2 4.3Å; L23-V66 HydrophobicContact CD1-CG2 3.84Å; L26-V66 HydrophobicContact CD2-CB 3.92Å; L26-V66 HydrophobicContact CD2-CG1 3.94Å; L26-V66 HydrophobicContact CD2-CG2 3.92Å; L43-V66 HydrophobicContact CD1-CG2 3.8Å; L43-V66 HydrophobicContact CD2-CB 4.47Å; L43-V66 HydrophobicContact CD2-CG1 3.44Å; L43-V66 VanDerWaalsContact CD2-CG1 3.44Å; L43-V66 HydrophobicContact CD2-CG2 4.18Å; F49-V66 HydrophobicContact CB-CG1 4.42Å; V50-V66 CarbonylContact O-C 3.59Å; V50-V66 WeakPolarHBondContact O-CA 3.45Å; V51-V66 HydrophobicContact CG2-CG2 4.46Å
67L95.1Very high80.2Confident0 Ų053.8 Ų53.80%033%0.334CS..EExtended strand (participates in β ladder)trans-121.1142.8-179.5-57.398.4000111.3G19 A20 F49 V50 A52 V65 N229 D232 I233G19-L67 WeakPolarHBondContact O-CA 3.47Å; A20-L67 HydrophobicContact CB-CD2 4.06Å; A20-L67 HydrophobicContact CB-CG 3.85Å; F49-L67 WeakPolarHBondContact CA-O 3.16Å; V50-L67 HydrophobicContact CB-CB 4.34Å; V50-L67 HydrophobicContact CB-CD1 4.45Å; V50-L67 HydrophobicContact CG1-CD1 4.21Å; V50-L67 PolarHBondContact N-O 3.24Å; V50-L67 WeakPolarHBondContact O-CD1 3.45Å; V50-L67 PolarHBondContact O-N 3.35Å; A52-L67 HydrophobicContact CB-CD1 3.68Å; V65-L67 HydrophobicContact CG1-CD1 4.48Å; L67-N229 VanDerWaalsContact CD2-CA 3.47Å; L67-N229 HydrophobicContact CD2-CB 3.66Å; L67-D232 HydrophobicContact CD1-CB 4.19Å; L67-D232 HydrophobicContact CD2-CB 3.91Å; L67-I233 HydrophobicContact CB-CD1 4.48Å; L67-I233 HydrophobicContact CB-CG1 4.22Å; L67-I233 HydrophobicContact CD2-CG1 4.29Å
68A95Very high81.5Confident0 Ų053.2 Ų53.20%032%0.316CS..EExtended strand (participates in β ladder)trans-77.5120.7172.300000110.7L14 G19 L143 Q146 N147L14-A68 HydrophobicContact CB-CB 3.94Å; L14-A68 HydrophobicContact CD1-CB 4.15Å; G19-A68 PolarHBondContact O-N 3.39Å; A68-L143 HydrophobicContact CB-CD1 3.76Å; A68-Q146 PolarHBondContact O-NE2 2.92Å; A68-N147 PolarHBondContact O-ND2 3.43Å
69A93.6Very high83.1Confident9 Ų948.7 Ų48.77%0.07427%0.273CS..  trans-116.9143.9179.700000110.7R48 V50 N147 I233R48-A69 CarbonylContact C-O 3.41Å; R48-A69 WeakPolarHBondContact CA-O 3.32Å; R48-A69 PolarHBondContact O-N 3.01Å; V50-A69 HydrophobicContact CG2-CB 3.93Å; A69-N147 WeakPolarHBondContact CA-OD1 3.36Å; A69-I233 HydrophobicContact CB-CG2 4.45Å
70S91.7Very high84Confident7 Ų745 Ų455%0.04925%0.246CC..  trans-155.2142.5178-178.30000112L72 R73 N147S70-L72 PolarHBondContact O-N 2.97Å; S70-L72 VanDerWaalsContact OG-CB 3.27Å; S70-L72 WeakPolarHBondContact OG-CB 3.31Å; S70-L72 PolarHBondContact OG-N 2.92Å; S70-L72 VanDerWaalsContact OG-N 3.17Å; S70-R73 PolarHBondContact O-NH1 3.49Å; S70-N147 PolarHBondContact N-OD1 2.58Å; S70-N147 WeakPolarHBondContact O-CB 3.41Å; S70-N147 PolarHBondContact O-OD1 3.28Å
71P90.6Very high84.4Confident79 Ų7947.7 Ų47.751%0.51326%0.262SS..  trans-77.6-0.6170.129.6-30.1000113.7R73P71-R73 PolarHBondContact O-N 3.26Å; P71-R73 PolarHBondContact O-NH1 3.27Å
72L92.5Very high84.4Confident1 Ų152 Ų521%0.00527%0.265CS..  trans-59.3130.3178.2-172.374000111.9S70 L92 V126 L127 H130 V132 L140 L144S70-L72 PolarHBondContact O-N 2.97Å; S70-L72 VanDerWaalsContact OG-CB 3.27Å; S70-L72 WeakPolarHBondContact OG-CB 3.31Å; S70-L72 PolarHBondContact OG-N 2.92Å; S70-L72 VanDerWaalsContact OG-N 3.17Å; L72-L92 HydrophobicContact CD1-CD1 4.08Å; L72-L92 HydrophobicContact CD1-CG 3.94Å; L72-L92 HydrophobicContact CD2-CD1 3.81Å; L72-L92 HydrophobicContact CG-CD1 4Å; L72-L92 HydrophobicContact CG-CG 4.34Å; L72-V126 HydrophobicContact CD1-CG1 3.66Å; L72-L127 HydrophobicContact CD2-CD2 4.2Å; L72-H130 HydrophobicContact CD1-CB 4.21Å; L72-H130 VanDerWaalsContact CD1-CD2 3.41Å; L72-H130 WeakPolarHBondContact CD1-CD2 3.3Å; L72-V132 HydrophobicContact CD2-CG2 4.13Å; L72-L140 HydrophobicContact CD2-CD2 4.4Å; L72-L144 HydrophobicContact CD2-CD2 3.97Å; L72-L144 HydrophobicContact CD2-CG 4.41Å; L72-L144 HydrophobicContact CG-CD2 4.02Å
73R94.4Very high83.9Confident69 Ų6950.2 Ų50.226%0.2627%0.267SS..  trans-136.4160.9-179.5-60.4-64.8177-86.9-0.4111.6S70 P71 Q91 L92 N147S70-R73 PolarHBondContact O-NH1 3.49Å; P71-R73 PolarHBondContact O-N 3.26Å; P71-R73 PolarHBondContact O-NH1 3.27Å; R73-Q91 HydrophobicContact CB-CG 4.37Å; R73-L92 PolarHBondContact O-N 3.44Å; R73-N147 PolarHBondContact NE-O 3.07Å; R73-N147 PolarHBondContact NH1-O 2.92Å; R73-N147 PolarHBondContact NH2-O 3.22Å
74L92.3Very high83.2Confident2 Ų249.9 Ų49.91%0.0128%0.281CS..BIsolated β-bridgetrans-77.8141.8167.2-67.5-170.6000111.6R76 L92 L94 K96 V99 L144 D148 W150 L151L74-R76 PolarHBondContact O-N 2.87Å; L74-L92 HydrophobicContact CD2-CB 3.86Å; L74-L94 HydrophobicContact CD2-CB 3.97Å; L74-K96 HydrophobicContact CD1-CB 4.41Å; L74-V99 HydrophobicContact CD1-CG2 4.29Å; L74-L144 HydrophobicContact CD2-CD1 4.33Å; L74-D148 PolarHBondContact N-OD2 3.38Å; L74-W150 HydrophobicContact CB-CE3 4.18Å; L74-W150 HydrophobicContact CB-CZ3 3.95Å; L74-W150 HydrophobicContact CD1-CE3 4.38Å; L74-W150 HydrophobicContact CD1-CZ3 3.87Å; L74-L151 HydrophobicContact CD1-CD1 4.4Å; L74-L151 HydrophobicContact CD1-CD2 3.64Å; L74-L151 HydrophobicContact CD1-CG 4.35Å
75C90.4Very high82.7Confident3 Ų346.6 Ų46.62%0.0227%0.273CS..  trans-76.5105.9179.1-175.50000111.9A77 H78 Q79 Q91 L92 H93C75-A77 VanDerWaalsContact C-N 3.3Å; C75-A77 PolarHBondContact O-N 2.9Å; C75-H78 HydrophobicContact CB-CB 3.84Å; C75-H78 WeakPolarHBondContact O-CB 3.33Å; C75-H78 PolarHBondContact O-N 3.29Å; C75-H78 VanDerWaalsContact O-N 3.1Å; C75-Q79 WeakPolarHBondContact O-CG 3.47Å; C75-Q79 PolarHBondContact O-N 3.26Å; C75-Q91 HydrophobicContact CB-CB 3.66Å; C75-L92 WeakPolarHBondContact CB-O 3.22Å; C75-L92 PolarHBondContact N-O 3Å; C75-H93 VanDerWaalsContact CB-CD2 3.49Å; C75-H93 WeakPolarHBondContact CB-CD2 3.05Å
76R87.8Confident82Confident155 Ų15552.6 Ų52.659%0.58531%0.309SS*.THydrogen-bonded Turntrans-63.1-34.9-179.8-63.3-173.8-175.9-173.73.1113L74 H78 Q79L74-R76 PolarHBondContact O-N 2.87Å; R76-H78 PolarHBondContact O-N 3.41Å; R76-Q79 PolarHBondContact O-N 2.69Å
77A82.6Confident81Confident47 Ų4753.9 Ų53.939%0.38832%0.323SS..THydrogen-bonded Turntrans-69.2-23177.400000112.9C75 G84 C85C75-A77 VanDerWaalsContact C-N 3.3Å; C75-A77 PolarHBondContact O-N 2.9Å; A77-G84 PolarHBondContact O-N 3.14Å; A77-C85 HydrophobicContact CB-CB 4Å
78H80.6Confident80.3Confident47 Ų4761.7 Ų61.722%0.21836%0.363CS..THydrogen-bonded Turntrans-83.1-25.8173.5-171.375.7000112.7C75 R76 G80 C85 H93 N114C75-H78 HydrophobicContact CB-CB 3.84Å; C75-H78 WeakPolarHBondContact O-CB 3.33Å; C75-H78 PolarHBondContact O-N 3.29Å; C75-H78 VanDerWaalsContact O-N 3.1Å; R76-H78 PolarHBondContact O-N 3.41Å; H78-G80 VanDerWaalsContact C-N 3.33Å; H78-C85 HydrophobicContact CB-CB 4.37Å; H78-H93 AromaticContact CD2-CG 3.87Å; H78-H93 AromaticContact CE1-CG 3.97Å; H78-H93 AromaticContact CE1-ND1 3.91Å; H78-H93 AromaticContact CG-CD2 3.73Å; H78-H93 AromaticContact CG-CG 3.62Å; H78-H93 AromaticContact ND1-CE1 3.93Å; H78-H93 AromaticContact ND1-CG 3.7Å; H78-H93 AromaticContact ND1-ND1 3.62Å; H78-N114 PolarHBondContact O-OD1 3.15Å; H78-N114 VanDerWaalsContact O-OD1 3.13Å
79Q76.4Confident79.9Confident31 Ų3163.3 Ų63.315%0.14537%0.374CS..SBendtrans-81.5-10.4-178.2-62.3-67.6-59.700114.1C75 R76 L94 N114 W150C75-Q79 WeakPolarHBondContact O-CG 3.47Å; C75-Q79 PolarHBondContact O-N 3.26Å; R76-Q79 PolarHBondContact O-N 2.69Å; Q79-L94 VanDerWaalsContact NE2-C 3.34Å; Q79-L94 PolarHBondContact NE2-O 3.39Å; Q79-N114 PolarHBondContact OE1-ND2 3.5Å; Q79-W150 HydrophobicContact CB-CH2 3.94Å; Q79-W150 HydrophobicContact CG-CH2 3.62Å; Q79-W150 HydrophobicContact CG-CZ3 4.01Å
80G66Low79.6Confident32 Ų3266.3 Ų66.333%0.3340%0.399SS..SBendtrans-79161.2-174.600000114.5H78 K82H78-G80 VanDerWaalsContact C-N 3.33Å; G80-K82 PolarHBondContact O-N 3.24Å; G80-K82 VanDerWaalsContact O-N 3.11Å
81S59.7Low79.6Confident109 Ų10969.5 Ų69.576%0.76241%0.413SS*.SBendtrans-70.10.8177.22.60000114.4R113S81-R113 VanDerWaalsContact C-NH2 3.35Å; S81-R113 VanDerWaalsContact O-CZ 3.26Å; S81-R113 PolarHBondContact O-NH1 3.21Å; S81-R113 PolarHBondContact O-NH2 3.49Å; S81-R113 VanDerWaalsContact O-NH2 3.14Å
82K58.7Low79.7Confident173 Ų17365.7 Ų65.775%0.75239%0.389SS*.SBendtrans-129.2141.8171.8-65.9-173-178.9-176.10108.5G80 G84G80-K82 PolarHBondContact O-N 3.24Å; G80-K82 VanDerWaalsContact O-N 3.11Å; K82-G84 PolarHBondContact O-N 3.17Å
83P58.6Low79.7Confident121 Ų12166.3 Ų66.379%0.78639%0.391SS*.  trans-67.4100178.5-4.921.4000108R113P83-R113 VanDerWaalsContact N-NH2 3.15Å
84G65.3Low79.5Confident57 Ų5763.1 Ų63.159%0.58838%0.379SS*.  trans-102-9.7-177.700000113.7A77 K82A77-G84 PolarHBondContact O-N 3.14Å; K82-G84 PolarHBondContact O-N 3.17Å
85C79.9Confident79.3Confident29 Ų2963 Ų6320%0.19638%0.379CS..  trans-125.5126.3-178.7-170.60000110.8A77 H78 C89 H93A77-C85 HydrophobicContact CB-CB 4Å; H78-C85 HydrophobicContact CB-CB 4.37Å; C85-C89 VanDerWaalsContact SG-SG 3.61Å; C85-H93 PolarHBondContact SG-NE2 3.25Å
86V77.2Confident79.3Confident134 Ų13464.6 Ų64.681%0.81239%0.385SS*.  trans-90.29-178.3-61.90000113.9L88V86-L88 HydrophobicContact CG2-CB 4.48Å; V86-L88 HydrophobicContact CG2-CD1 4.33Å; V86-L88 HydrophobicContact CG2-CG 4.32Å
87G73.6Confident79.4Confident27 Ų2760.6 Ų60.628%0.27837%0.372SS..SBendtrans87.614.3179.300000115.7H122G87-H122 PolarHBondContact O-ND1 3.1Å
88L79.3Confident79.6Confident164 Ų16459.9 Ų59.986%0.85936%0.361SS*.  trans-110.326.9176.4-60.6176.7000112.6V86V86-L88 HydrophobicContact CG2-CB 4.48Å; V86-L88 HydrophobicContact CG2-CD1 4.33Å; V86-L88 HydrophobicContact CG2-CG 4.32Å
89C86.7Confident80Confident33 Ų3358 Ų5822%0.22335%0.353CS..SBendtrans-102.7153.8-178.681.90000112.7C85 Q91 H93 H122C85-C89 VanDerWaalsContact SG-SG 3.61Å; C89-Q91 PolarHBondContact O-N 2.89Å; C89-Q91 VanDerWaalsContact O-N 3.17Å; C89-Q91 PolarHBondContact SG-O 3.31Å; C89-Q91 VanDerWaalsContact SG-O 3.37Å; C89-H93 PolarHBondContact SG-NE2 3.48Å; C89-H122 PolarHBondContact O-CE1 3.19Å
90A87.4Confident80.6Confident72 Ų7256.7 Ų56.760%0.59535%0.347SS*.SBendtrans-84.629.8175.200000113.1
91Q92.8Very high81.5Confident74 Ų7457.4 Ų57.435%0.34635%0.354SS..SBendtrans-130.7150.6-174-66.7-176.8-23.900111.4R73 C75 C89 H93 H122R73-Q91 HydrophobicContact CB-CG 4.37Å; C75-Q91 HydrophobicContact CB-CB 3.66Å; C89-Q91 PolarHBondContact O-N 2.89Å; C89-Q91 VanDerWaalsContact O-N 3.17Å; C89-Q91 PolarHBondContact SG-O 3.31Å; C89-Q91 VanDerWaalsContact SG-O 3.37Å; Q91-H93 PolarHBondContact O-N 2.98Å; Q91-H122 PolarHBondContact O-NE2 3.24Å
92L92.5Very high82.5Confident0 Ų052.7 Ų52.70%032%0.322CS..BIsolated β-bridgetrans-71.7131.4-177-75.6176.9000112.2L72 R73 L74 C75 L94 L118 N123 V126 L127 L144L72-L92 HydrophobicContact CD1-CD1 4.08Å; L72-L92 HydrophobicContact CD1-CG 3.94Å; L72-L92 HydrophobicContact CD2-CD1 3.81Å; L72-L92 HydrophobicContact CG-CD1 4Å; L72-L92 HydrophobicContact CG-CG 4.34Å; R73-L92 PolarHBondContact O-N 3.44Å; L74-L92 HydrophobicContact CD2-CB 3.86Å; C75-L92 WeakPolarHBondContact CB-O 3.22Å; C75-L92 PolarHBondContact N-O 3Å; L92-L94 PolarHBondContact O-N 2.92Å; L92-L118 HydrophobicContact CD1-CD2 4.34Å; L92-L118 HydrophobicContact CD2-CD2 4.42Å; L92-N123 HydrophobicContact CD2-CB 3.91Å; L92-V126 HydrophobicContact CD2-CB 4.29Å; L92-V126 HydrophobicContact CD2-CG1 4.05Å; L92-V126 HydrophobicContact CG-CG1 4.25Å; L92-L127 HydrophobicContact CD1-CD2 4.25Å; L92-L127 HydrophobicContact CD2-CD2 4.05Å; L92-L127 HydrophobicContact CD2-CG 4.04Å; L92-L144 HydrophobicContact CD1-CD1 4.09Å; L92-L144 HydrophobicContact CD1-CD2 4.32Å
93H91.8Very high83.8Confident14 Ų1444.5 Ų44.57%0.06529%0.286CS..  trans-90.279.2169.3-69.2-176.1000108.2C75 H78 C85 C89 Q91 S115 H122 N123C75-H93 VanDerWaalsContact CB-CD2 3.49Å; C75-H93 WeakPolarHBondContact CB-CD2 3.05Å; H78-H93 AromaticContact CD2-CG 3.87Å; H78-H93 AromaticContact CE1-CG 3.97Å; H78-H93 AromaticContact CE1-ND1 3.91Å; H78-H93 AromaticContact CG-CD2 3.73Å; H78-H93 AromaticContact CG-CG 3.62Å; H78-H93 AromaticContact ND1-CE1 3.93Å; H78-H93 AromaticContact ND1-CG 3.7Å; H78-H93 AromaticContact ND1-ND1 3.62Å; C85-H93 PolarHBondContact SG-NE2 3.25Å; C89-H93 PolarHBondContact SG-NE2 3.48Å; Q91-H93 PolarHBondContact O-N 2.98Å; H93-S115 VanDerWaalsContact O-CB 3.31Å; H93-S115 WeakPolarHBondContact O-CB 3.47Å; H93-H122 AromaticContact CD2-CD2 3.88Å; H93-H122 AromaticContact CD2-NE2 3.52Å; H93-H122 AromaticContact CE1-CD2 3.86Å; H93-H122 AromaticContact CE1-CE1 3.82Å; H93-H122 AromaticContact CE1-NE2 3.6Å; H93-H122 AromaticContact CG-CD2 3.56Å; H93-H122 AromaticContact CG-NE2 3.7Å; H93-H122 AromaticContact ND1-CD2 3.52Å; H93-H122 AromaticContact ND1-CG 3.95Å; H93-H122 AromaticContact ND1-NE2 3.73Å; H93-H122 AromaticContact NE2-CE1 3.93Å; H93-H122 AromaticContact NE2-NE2 3.51Å; H93-N123 PolarHBondContact N-OD1 2.89Å; H93-N123 PolarHBondContact O-ND2 3.49Å
94L89.7Confident85Confident1 Ų145.4 Ų45.41%0.00528%0.278CS..  trans-137.4132.4179.4-175.771.9000110.4L74 Q79 L92 K96 V99 S115 L118 Y137L74-L94 HydrophobicContact CD2-CB 3.97Å; Q79-L94 VanDerWaalsContact NE2-C 3.34Å; Q79-L94 PolarHBondContact NE2-O 3.39Å; L92-L94 PolarHBondContact O-N 2.92Å; L94-K96 PolarHBondContact O-N 3.46Å; L94-V99 HydrophobicContact CD2-CG2 3.47Å; L94-V99 VanDerWaalsContact CD2-CG2 3.47Å; L94-V99 HydrophobicContact CG-CG2 4.16Å; L94-S115 CarbonylContact C-O 3.51Å; L94-S115 WeakPolarHBondContact CA-O 3.2Å; L94-L118 HydrophobicContact CB-CD2 4.5Å; L94-L118 HydrophobicContact CD1-CD2 4.23Å; L94-L118 HydrophobicContact CD1-CG 4.31Å; L94-L118 HydrophobicContact CD2-CD2 3.81Å; L94-L118 HydrophobicContact CD2-CG 4.31Å; L94-L118 HydrophobicContact CG-CD2 4.41Å; L94-Y137 HydrophobicContact CD2-CE2 4.25Å
95C89.3Confident85.9Confident0 Ų046.7 Ų46.70%027%0.268CS..  trans-55.4122.6178.1-178.40000111.9F97 M98 V99 N114 S115 H116C95-F97 PolarHBondContact O-N 3.49Å; C95-M98 HydrophobicContact CB-CB 4.14Å; C95-M98 HydrophobicContact CB-CG 3.91Å; C95-M98 WeakPolarHBondContact O-CB 3.49Å; C95-M98 PolarHBondContact O-N 2.81Å; C95-V99 PolarHBondContact O-N 3.01Å; C95-N114 HydrophobicContact CB-CB 3.56Å; C95-S115 PolarHBondContact N-O 2.88Å; C95-H116 WeakPolarHBondContact CB-CD2 3.48Å
96K90.5Very high86Confident36 Ų3649.9 Ų49.916%0.15728%0.282CS..Hα-helixtrans-53.8-41177.2175.4170.1178.1165.40112.8L74 L94 M98 V99 Y100 W150 L151L74-K96 HydrophobicContact CD1-CB 4.41Å; L94-K96 PolarHBondContact O-N 3.46Å; K96-M98 VanDerWaalsContact C-N 3.3Å; K96-M98 PolarHBondContact O-N 3.27Å; K96-V99 WeakPolarHBondContact O-CB 3.5Å; K96-V99 PolarHBondContact O-N 3.21Å; K96-V99 VanDerWaalsContact O-N 3.16Å; K96-Y100 WeakPolarHBondContact CE-OH 3.11Å; K96-Y100 HydrophobicContact CG-CE1 4.19Å; K96-Y100 PolarHBondContact NZ-OH 3.13Å; K96-Y100 PolarHBondContact O-N 2.8Å; K96-Y100 VanDerWaalsContact O-N 3.17Å; K96-W150 HydrophobicContact CB-CH2 3.98Å; K96-W150 HydrophobicContact CB-CZ3 4.15Å; K96-W150 HydrophobicContact CD-CD2 4.5Å; K96-W150 HydrophobicContact CD-CE3 4.29Å; K96-W150 HydrophobicContact CD-CH2 3.44Å; K96-W150 VanDerWaalsContact CD-CH2 3.44Å; K96-W150 HydrophobicContact CD-CZ2 3.69Å; K96-W150 HydrophobicContact CD-CZ3 3.78Å; K96-W150 HydrophobicContact CG-CH2 4.24Å; K96-W150 HydrophobicContact CG-CZ3 4.32Å; K96-W150 PolarHBondContact NZ-O 2.96Å; K96-L151 HydrophobicContact CD-CD2 4.45Å; K96-L151 HydrophobicContact CG-CD2 4.02Å
97F88.8Confident86.2Confident71 Ų7152.9 Ų52.931%0.31128%0.279SS..Hα-helixtrans-70.8-25.8-179.1-59.6-71.4000113C95 Y100 G101 A102 C103C95-F97 PolarHBondContact O-N 3.49Å; F97-Y100 HydrophobicContact CD1-CD2 4.5Å; F97-Y100 PolarHBondContact O-N 2.86Å; F97-G101 PolarHBondContact O-N 3.25Å; F97-A102 CarbonylContact O-C 3.6Å; F97-A102 PolarHBondContact O-N 2.97Å; F97-A102 VanDerWaalsContact O-O 3.12Å; F97-C103 HydrophobicContact CB-CB 4.26Å
98M87.5Confident86.6Confident33 Ų3354.5 Ų54.516%0.16329%0.29CS..Hα-helixtrans-67.9-40.2169.7-73.9-57.1-61.500111.3C95 K96 Y100 G101 C103 L106 H116 Y137C95-M98 HydrophobicContact CB-CB 4.14Å; C95-M98 HydrophobicContact CB-CG 3.91Å; C95-M98 WeakPolarHBondContact O-CB 3.49Å; C95-M98 PolarHBondContact O-N 2.81Å; K96-M98 VanDerWaalsContact C-N 3.3Å; K96-M98 PolarHBondContact O-N 3.27Å; M98-Y100 PolarHBondContact O-N 3.31Å; M98-G101 WeakPolarHBondContact O-CA 3.34Å; M98-G101 PolarHBondContact O-N 3.25Å; M98-C103 HydrophobicContact CG-CB 3.86Å; M98-C103 HydrophobicContact SD-CB 3.39Å; M98-C103 WeakPolarHBondContact SD-CB 3.46Å; M98-L106 HydrophobicContact CE-CD2 3.87Å; M98-L106 HydrophobicContact SD-CD2 3.68Å; M98-H116 HydrophobicContact CG-CB 4.1Å; M98-H116 WeakPolarHBondContact CG-CD2 3.29Å; M98-H116 VanDerWaalsContact CG-CG 3.47Å; M98-H116 WeakPolarHBondContact CG-NE2 3.42Å; M98-Y137 PolarHBondContact O-OH 3.43Å
99V88.9Confident86.6Confident6 Ų650.2 Ų50.24%0.03629%0.285CS..Hα-helixtrans-62.1-31.1175.3-179.20000111.8L74 L94 C95 K96 G101 C141 F145 L151L74-V99 HydrophobicContact CD1-CG2 4.29Å; L94-V99 HydrophobicContact CD2-CG2 3.47Å; L94-V99 VanDerWaalsContact CD2-CG2 3.47Å; L94-V99 HydrophobicContact CG-CG2 4.16Å; C95-V99 PolarHBondContact O-N 3.01Å; K96-V99 WeakPolarHBondContact O-CB 3.5Å; K96-V99 PolarHBondContact O-N 3.21Å; K96-V99 VanDerWaalsContact O-N 3.16Å; V99-G101 PolarHBondContact O-N 3.17Å; V99-C141 HydrophobicContact CG1-CB 4.4Å; V99-F145 HydrophobicContact CG1-CD2 4.33Å; V99-F145 HydrophobicContact CG1-CE1 4.43Å; V99-F145 HydrophobicContact CG1-CE2 3.7Å; V99-F145 HydrophobicContact CG1-CZ 3.76Å; V99-F145 VanDerWaalsContact O-CE2 3.29Å; V99-F145 WeakPolarHBondContact O-CE2 3.48Å; V99-F145 WeakPolarHBondContact O-CZ 3.22Å; V99-L151 HydrophobicContact CG1-CD1 4.09Å; V99-L151 HydrophobicContact CG1-CD2 4.32Å
100Y89.1Confident86.5Confident4 Ų455.3 Ų55.32%0.01630%0.303CS..THydrogen-bonded Turntrans-73.3-11.5173.4-69.93.8000113.7K96 F97 M98 F145 L151 L213 M215 S216K96-Y100 WeakPolarHBondContact CE-OH 3.11Å; K96-Y100 HydrophobicContact CG-CE1 4.19Å; K96-Y100 PolarHBondContact NZ-OH 3.13Å; K96-Y100 PolarHBondContact O-N 2.8Å; K96-Y100 VanDerWaalsContact O-N 3.17Å; F97-Y100 HydrophobicContact CD1-CD2 4.5Å; F97-Y100 PolarHBondContact O-N 2.86Å; M98-Y100 PolarHBondContact O-N 3.31Å; Y100-F145 AromaticContact CD1-CE1 3.83Å; Y100-F145 HydrophobicContact CD1-CE1 3.83Å; Y100-F145 AromaticContact CD1-CZ 3.72Å; Y100-F145 HydrophobicContact CD1-CZ 3.72Å; Y100-F145 AromaticContact CE1-CE1 3.79Å; Y100-F145 HydrophobicContact CE1-CE1 3.79Å; Y100-F145 HydrophobicContact CE1-CZ 4.18Å; Y100-L151 HydrophobicContact CE1-CD2 4.12Å; Y100-L151 WeakPolarHBondContact CE1-O 3.24Å; Y100-L151 PolarHBondContact OH-O 2.99Å; Y100-L213 HydrophobicContact CD2-CB 4.4Å; Y100-L213 WeakPolarHBondContact CD2-O 3.46Å; Y100-L213 HydrophobicContact CE2-CB 4.13Å; Y100-M215 HydrophobicContact CD1-CE 3.89Å; Y100-M215 HydrophobicContact CD2-CE 4.01Å; Y100-M215 HydrophobicContact CD2-CG 3.95Å; Y100-M215 HydrophobicContact CE1-CE 3.58Å; Y100-M215 HydrophobicContact CE2-CE 3.71Å; Y100-M215 HydrophobicContact CE2-CG 4.42Å; Y100-M215 HydrophobicContact CG-CE 4.08Å; Y100-M215 HydrophobicContact CG-CG 4.07Å; Y100-M215 VanDerWaalsContact CZ-CE 3.44Å; Y100-S216 PolarHBondContact O-N 3.49Å
101G83.8Confident86.1Confident48 Ų4859.7 Ų59.750%0.49532%0.317SS..THydrogen-bonded Turntrans101-5.1179.500000114.3F97 M98 V99F97-G101 PolarHBondContact O-N 3.25Å; M98-G101 WeakPolarHBondContact O-CA 3.34Å; M98-G101 PolarHBondContact O-N 3.25Å; V99-G101 PolarHBondContact O-N 3.17Å
102A81.7Confident85.7Confident9 Ų957.5 Ų57.57%0.07431%0.309CS..  trans-153.5107.5-177.300000113.6F97 R107F97-A102 CarbonylContact O-C 3.6Å; F97-A102 PolarHBondContact O-N 2.97Å; F97-A102 VanDerWaalsContact O-O 3.12Å; A102-R107 VanDerWaalsContact CB-NH2 3.29Å
103C86.1Confident85.2Confident1 Ų164.3 Ų64.31%0.00734%0.335CS..  trans-88.8120.2165.8-177.20000111.1F97 M98 F105 L106 R107 C112 H116F97-C103 HydrophobicContact CB-CB 4.26Å; M98-C103 HydrophobicContact CG-CB 3.86Å; M98-C103 HydrophobicContact SD-CB 3.39Å; M98-C103 WeakPolarHBondContact SD-CB 3.46Å; C103-F105 PolarHBondContact O-N 3.2Å; C103-L106 HydrophobicContact CB-CB 4.01Å; C103-L106 PolarHBondContact O-N 2.94Å; C103-L106 VanDerWaalsContact O-N 3.14Å; C103-R107 PolarHBondContact O-N 3.14Å; C103-C112 VanDerWaalsContact SG-SG 3.62Å; C103-H116 PolarHBondContact SG-CE1 3.22Å; C103-H116 PolarHBondContact SG-NE2 3.46Å; C103-H116 VanDerWaalsContact SG-NE2 3.37Å
104K83.4Confident84.8Confident140 Ų14064.6 Ų64.661%0.60934%0.337SS*.Hα-helixtrans-56.6-32.9177.366.5-178.7-178.5178.90113.9A108K104-A108 VanDerWaalsContact O-CB 3.28Å; K104-A108 WeakPolarHBondContact O-CB 3.35Å; K104-A108 PolarHBondContact O-N 2.76Å; K104-A108 VanDerWaalsContact O-N 3.08Å
105F83.8Confident84.6Confident85 Ų8566 Ų6637%0.37335%0.347SS..Hα-helixtrans-71.7-43.6178.3-64.2-78.4000111C103 A108 G109 K110 C112C103-F105 PolarHBondContact O-N 3.2Å; F105-A108 CarbonylContact O-C 3.57Å; F105-A108 PolarHBondContact O-N 2.7Å; F105-G109 PolarHBondContact O-N 3.07Å; F105-K110 CarbonylContact C-O 3.55Å; F105-K110 VanDerWaalsContact C-O 3.29Å; F105-K110 HydrophobicContact CB-CB 4.46Å; F105-K110 HydrophobicContact CD1-CB 4.49Å; F105-K110 WeakPolarHBondContact O-CA 3.29Å; F105-K110 PolarHBondContact O-N 2.91Å; F105-C112 HydrophobicContact CB-CB 3.99Å
106L81.7Confident84.6Confident96 Ų9668.4 Ų68.450%0.50336%0.358SS..Hα-helixtrans-62-45175.6-171.863.6000111.6M98 C103 A108 G109M98-L106 HydrophobicContact CE-CD2 3.87Å; M98-L106 HydrophobicContact SD-CD2 3.68Å; C103-L106 HydrophobicContact CB-CB 4.01Å; C103-L106 PolarHBondContact O-N 2.94Å; C103-L106 VanDerWaalsContact O-N 3.14Å; L106-A108 PolarHBondContact O-N 3.12Å; L106-G109 PolarHBondContact O-N 3.13Å
107R81.5Confident84.4Confident196 Ų19668.8 Ų68.874%0.7437%0.365SS*.Hα-helixtrans-61.2-33.2176.2-74-174173.2-179.2-2.1112.8A102 C103 G109A102-R107 VanDerWaalsContact CB-NH2 3.29Å; C103-R107 PolarHBondContact O-N 3.14Å; R107-G109 PolarHBondContact O-N 3.11Å
108A82.1Confident84.2Confident62 Ų6266.3 Ų66.351%0.51236%0.355SS..THydrogen-bonded Turntrans-83.77.3176.600000113.6K104 F105 L106 K110K104-A108 VanDerWaalsContact O-CB 3.28Å; K104-A108 WeakPolarHBondContact O-CB 3.35Å; K104-A108 PolarHBondContact O-N 2.76Å; K104-A108 VanDerWaalsContact O-N 3.08Å; F105-A108 CarbonylContact O-C 3.57Å; F105-A108 PolarHBondContact O-N 2.7Å; L106-A108 PolarHBondContact O-N 3.12Å; A108-K110 HydrophobicContact CB-CD 4.49Å; A108-K110 HydrophobicContact CB-CG 4.36Å; A108-K110 PolarHBondContact O-N 3.32Å
109G79.6Confident84.2Confident73 Ų7369.7 Ų69.775%0.75338%0.378SS*.THydrogen-bonded Turntrans65.816.8-176.600000114.2F105 L106 R107F105-G109 PolarHBondContact O-N 3.07Å; L106-G109 PolarHBondContact O-N 3.13Å; R107-G109 PolarHBondContact O-N 3.11Å
110K84.1Confident84.2Confident141 Ų14171.6 Ų71.661%0.61339%0.389SS*.PPolyproline II helixtrans-100.3147.7-178.6-65.9-177.4-179.4-177.90110.9F105 A108 C112F105-K110 CarbonylContact C-O 3.55Å; F105-K110 VanDerWaalsContact C-O 3.29Å; F105-K110 HydrophobicContact CB-CB 4.46Å; F105-K110 HydrophobicContact CD1-CB 4.49Å; F105-K110 WeakPolarHBondContact O-CA 3.29Å; F105-K110 PolarHBondContact O-N 2.91Å; A108-K110 HydrophobicContact CB-CD 4.49Å; A108-K110 HydrophobicContact CB-CG 4.36Å; A108-K110 PolarHBondContact O-N 3.32Å; K110-C112 PolarHBondContact O-N 3.17Å
111N79.7Confident84.1Confident164 Ų16479.8 Ų79.888%0.87743%0.428SS*.PPolyproline II helixtrans-64.7118.6173.4-70.6-24.5000110.3
112C84.4Confident84.4Confident28 Ų2879.1 Ų79.119%0.18941%0.412CS..PPolyproline II helixtrans-75.5135.3169.4-167.80000109C103 F105 K110 N114 H116C103-C112 VanDerWaalsContact SG-SG 3.62Å; F105-C112 HydrophobicContact CB-CB 3.99Å; K110-C112 PolarHBondContact O-N 3.17Å; C112-N114 PolarHBondContact O-N 3.41Å; C112-H116 WeakPolarHBondContact CB-CE1 3.39Å; C112-H116 WeakPolarHBondContact CB-NE2 2.87Å; C112-H116 PolarHBondContact SG-NE2 2.89Å
113R80.8Confident84.9Confident142 Ų14278.7 Ų78.754%0.53641%0.408SS..SBendtrans-65.3-29.1175-179.8178.1175.6169.5-0.6113.1S81 P83S81-R113 VanDerWaalsContact C-NH2 3.35Å; S81-R113 VanDerWaalsContact O-CZ 3.26Å; S81-R113 PolarHBondContact O-NH1 3.21Å; S81-R113 PolarHBondContact O-NH2 3.49Å; S81-R113 VanDerWaalsContact O-NH2 3.14Å; P83-R113 VanDerWaalsContact N-NH2 3.15Å
114N84.7Confident85.2Confident21 Ų2181.3 Ų81.311%0.11242%0.422CS..SBendtrans-87.6137.8177.7-64.1-33000109H78 Q79 C95 C112 H116H78-N114 PolarHBondContact O-OD1 3.15Å; H78-N114 VanDerWaalsContact O-OD1 3.13Å; Q79-N114 PolarHBondContact OE1-ND2 3.5Å; C95-N114 HydrophobicContact CB-CB 3.56Å; C112-N114 PolarHBondContact O-N 3.41Å; N114-H116 PolarHBondContact O-CD2 3.33Å; N114-H116 PolarHBondContact O-N 3.13Å
115S85.3Confident85.5Confident31 Ų3178 Ų7822%0.21742%0.417CS..  trans-58.6136.1178.6173.90000111.4H93 L94 C95 S117H93-S115 VanDerWaalsContact O-CB 3.31Å; H93-S115 WeakPolarHBondContact O-CB 3.47Å; L94-S115 CarbonylContact C-O 3.51Å; L94-S115 WeakPolarHBondContact CA-O 3.2Å; C95-S115 PolarHBondContact N-O 2.88Å; S115-S117 PolarHBondContact OG-N 3.34Å; S115-S117 VanDerWaalsContact OG-N 3.15Å; S115-S117 PolarHBondContact OG-O 3.29Å
116H88.2Confident85.9Confident50 Ų5074.3 Ų74.323%0.23140%0.401CS..  trans-100.6-2.5171.9-67.8-178.5000112.3C95 M98 C103 C112 N114C95-H116 WeakPolarHBondContact CB-CD2 3.48Å; M98-H116 HydrophobicContact CG-CB 4.1Å; M98-H116 WeakPolarHBondContact CG-CD2 3.29Å; M98-H116 VanDerWaalsContact CG-CG 3.47Å; M98-H116 WeakPolarHBondContact CG-NE2 3.42Å; C103-H116 PolarHBondContact SG-CE1 3.22Å; C103-H116 PolarHBondContact SG-NE2 3.46Å; C103-H116 VanDerWaalsContact SG-NE2 3.37Å; C112-H116 WeakPolarHBondContact CB-CE1 3.39Å; C112-H116 WeakPolarHBondContact CB-NE2 2.87Å; C112-H116 PolarHBondContact SG-NE2 2.89Å; N114-H116 PolarHBondContact O-CD2 3.33Å; N114-H116 PolarHBondContact O-N 3.13Å
117S86.4Confident86.5Confident43 Ų4370 Ų7030%0.30138%0.378SS..  trans-103128.8-177.2-178.50000111.4S115 T119 N123S115-S117 PolarHBondContact OG-N 3.34Å; S115-S117 VanDerWaalsContact OG-N 3.15Å; S115-S117 PolarHBondContact OG-O 3.29Å; S117-T119 VanDerWaalsContact C-N 3.29Å; S117-T119 PolarHBondContact OG-N 2.97Å; S117-T119 PolarHBondContact OG-OG1 3.17Å; S117-N123 PolarHBondContact O-ND2 3.11Å
118L86.5Confident86.9Confident20 Ų2068.4 Ų68.411%0.10537%0.372CS..SBendtrans-79.7-12.6166.8-74.3176.9000112.7L92 L94 T120 N123 Y137 L140L92-L118 HydrophobicContact CD1-CD2 4.34Å; L92-L118 HydrophobicContact CD2-CD2 4.42Å; L94-L118 HydrophobicContact CB-CD2 4.5Å; L94-L118 HydrophobicContact CD1-CD2 4.23Å; L94-L118 HydrophobicContact CD1-CG 4.31Å; L94-L118 HydrophobicContact CD2-CD2 3.81Å; L94-L118 HydrophobicContact CD2-CG 4.31Å; L94-L118 HydrophobicContact CG-CD2 4.41Å; L118-T120 VanDerWaalsContact C-N 3.35Å; L118-N123 WeakPolarHBondContact O-CB 3.46Å; L118-Y137 HydrophobicContact CD1-CD2 3.47Å; L118-Y137 VanDerWaalsContact CD1-CD2 3.47Å; L118-Y137 HydrophobicContact CD1-CE2 4.06Å; L118-Y137 HydrophobicContact CD1-CG 4.36Å; L118-Y137 HydrophobicContact CG-CD2 4.18Å; L118-Y137 HydrophobicContact CG-CE2 4.41Å; L118-L140 HydrophobicContact CD1-CD1 3.65Å
119T85.8Confident87.3Confident104 Ų10470.5 Ų70.564%0.63838%0.379SS*.  trans-93.510.3-175.163.90000113.4S117 L124S117-T119 VanDerWaalsContact C-N 3.29Å; S117-T119 PolarHBondContact OG-N 2.97Å; S117-T119 PolarHBondContact OG-OG1 3.17Å; T119-L124 WeakPolarHBondContact O-CD1 3.37Å
120T89.2Confident87.7Confident45 Ų4568.3 Ų68.328%0.27635%0.349SS..SBendtrans-62.2147.5169.866.10000109.7L118 H122 N123 L124L118-T120 VanDerWaalsContact C-N 3.35Å; T120-H122 PolarHBondContact O-N 3.48Å; T120-N123 PolarHBondContact O-N 3.3Å; T120-N123 VanDerWaalsContact OG1-CB 3.28Å; T120-N123 WeakPolarHBondContact OG1-CB 3.42Å; T120-N123 VanDerWaalsContact OG1-CG 3.23Å; T120-N123 PolarHBondContact OG1-N 2.8Å; T120-N123 PolarHBondContact OG1-ND2 2.8Å; T120-N123 VanDerWaalsContact OG1-ND2 3.16Å; T120-L124 WeakPolarHBondContact O-CG 3.26Å; T120-L124 PolarHBondContact O-N 3.46Å
121E87.8Confident88Confident176 Ų17662.8 Ų62.882%0.82233%0.332SS*.Hα-helixtrans-51.7-44.4179.9-174.1-179.1-17900112L124 S125E121-L124 PolarHBondContact O-N 3.04Å; E121-S125 WeakPolarHBondContact O-CB 3.2Å; E121-S125 PolarHBondContact O-N 3.44Å
122H89.9Confident88.6Confident34 Ų3455 Ų5516%0.15729%0.29CS..Hα-helixtrans-56.6-53.7173.1177.684.3000112.7G87 C89 Q91 H93 T120 L124 S125 V126G87-H122 PolarHBondContact O-ND1 3.1Å; C89-H122 PolarHBondContact O-CE1 3.19Å; Q91-H122 PolarHBondContact O-NE2 3.24Å; H93-H122 AromaticContact CD2-CD2 3.88Å; H93-H122 AromaticContact CD2-NE2 3.52Å; H93-H122 AromaticContact CE1-CD2 3.86Å; H93-H122 AromaticContact CE1-CE1 3.82Å; H93-H122 AromaticContact CE1-NE2 3.6Å; H93-H122 AromaticContact CG-CD2 3.56Å; H93-H122 AromaticContact CG-NE2 3.7Å; H93-H122 AromaticContact ND1-CD2 3.52Å; H93-H122 AromaticContact ND1-CG 3.95Å; H93-H122 AromaticContact ND1-NE2 3.73Å; H93-H122 AromaticContact NE2-CE1 3.93Å; H93-H122 AromaticContact NE2-NE2 3.51Å; T120-H122 PolarHBondContact O-N 3.48Å; H122-L124 PolarHBondContact O-N 2.96Å; H122-S125 WeakPolarHBondContact O-CB 3.38Å; H122-S125 PolarHBondContact O-N 2.98Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; H122-V126 PolarHBondContact O-N 2.9Å
123N92Very high89Confident0 Ų057.4 Ų57.40%030%0.301CS..Hα-helixtrans-65.8-39.3-176.8-75.2-22.1000111.4L92 H93 S117 L118 T120 S125 V126 L127L92-N123 HydrophobicContact CD2-CB 3.91Å; H93-N123 PolarHBondContact N-OD1 2.89Å; H93-N123 PolarHBondContact O-ND2 3.49Å; S117-N123 PolarHBondContact O-ND2 3.11Å; L118-N123 WeakPolarHBondContact O-CB 3.46Å; T120-N123 PolarHBondContact O-N 3.3Å; T120-N123 VanDerWaalsContact OG1-CB 3.28Å; T120-N123 WeakPolarHBondContact OG1-CB 3.42Å; T120-N123 VanDerWaalsContact OG1-CG 3.23Å; T120-N123 PolarHBondContact OG1-N 2.8Å; T120-N123 PolarHBondContact OG1-ND2 2.8Å; T120-N123 VanDerWaalsContact OG1-ND2 3.16Å; N123-S125 VanDerWaalsContact C-N 3.34Å; N123-S125 PolarHBondContact O-N 3.01Å; N123-V126 PolarHBondContact O-N 2.69Å; N123-L127 WeakPolarHBondContact O-CB 3.36Å; N123-L127 WeakPolarHBondContact O-CG 3.43Å; N123-L127 PolarHBondContact O-N 2.82Å
124L91.8Very high89.5Confident56 Ų5654.2 Ų54.229%0.29329%0.292SS..Hα-helixtrans-61.7-42.1174.9-69.6175.5000111.7T119 T120 E121 H122 L127 R128T119-L124 WeakPolarHBondContact O-CD1 3.37Å; T120-L124 WeakPolarHBondContact O-CG 3.26Å; T120-L124 PolarHBondContact O-N 3.46Å; E121-L124 PolarHBondContact O-N 3.04Å; H122-L124 PolarHBondContact O-N 2.96Å; L124-L127 PolarHBondContact O-N 2.74Å; L124-R128 WeakPolarHBondContact O-CB 3.41Å; L124-R128 VanDerWaalsContact O-CG 3.26Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 2.98Å
125S90.6Very high89.9Confident72 Ų7253.8 Ų53.850%0.50329%0.29SS..Hα-helixtrans-60.5-45.6174.4-178.10000112E121 H122 N123 R128 T129E121-S125 WeakPolarHBondContact O-CB 3.2Å; E121-S125 PolarHBondContact O-N 3.44Å; H122-S125 WeakPolarHBondContact O-CB 3.38Å; H122-S125 PolarHBondContact O-N 2.98Å; N123-S125 VanDerWaalsContact C-N 3.34Å; N123-S125 PolarHBondContact O-N 3.01Å; S125-R128 PolarHBondContact O-N 2.84Å; S125-T129 WeakPolarHBondContact O-CB 3.49Å; S125-T129 PolarHBondContact O-N 2.81Å; S125-T129 PolarHBondContact O-OG1 3.12Å
126V92.6Very high90.3Very high7 Ų755 Ų554%0.04230%0.299CS..Hα-helixtrans-62.4-48.2175.8174.10000110.9L72 L92 H122 N123 R128 T129 H130L72-V126 HydrophobicContact CD1-CG1 3.66Å; L92-V126 HydrophobicContact CD2-CB 4.29Å; L92-V126 HydrophobicContact CD2-CG1 4.05Å; L92-V126 HydrophobicContact CG-CG1 4.25Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; H122-V126 PolarHBondContact O-N 2.9Å; N123-V126 PolarHBondContact O-N 2.69Å; V126-R128 PolarHBondContact O-N 3.26Å; V126-T129 WeakPolarHBondContact O-CB 3.34Å; V126-T129 PolarHBondContact O-N 3.26Å; V126-H130 PolarHBondContact O-CD2 3.13Å; V126-H130 PolarHBondContact O-N 2.98Å
127L93.4Very high90.4Very high5 Ų556.3 Ų56.33%0.02630%0.302CS..Hα-helixtrans-61.4-42.3-179.9-68.8171.2000112.1L72 L92 N123 L124 H130 G131 V132 D133 L140L72-L127 HydrophobicContact CD2-CD2 4.2Å; L92-L127 HydrophobicContact CD1-CD2 4.25Å; L92-L127 HydrophobicContact CD2-CD2 4.05Å; L92-L127 HydrophobicContact CD2-CG 4.04Å; N123-L127 WeakPolarHBondContact O-CB 3.36Å; N123-L127 WeakPolarHBondContact O-CG 3.43Å; N123-L127 PolarHBondContact O-N 2.82Å; L124-L127 PolarHBondContact O-N 2.74Å; L127-H130 CarbonylContact O-C 3.53Å; L127-H130 PolarHBondContact O-N 2.55Å; L127-G131 PolarHBondContact O-N 2.85Å; L127-V132 HydrophobicContact CD2-CG2 3.88Å; L127-V132 PolarHBondContact O-N 3.39Å; L127-D133 HydrophobicContact CB-CB 3.86Å; L127-L140 HydrophobicContact CD1-CD1 4.21Å; L127-L140 HydrophobicContact CD2-CD1 3.97Å; L127-L140 HydrophobicContact CD2-CD2 3.74Å
128R90.9Very high90.7Very high163 Ų16359.7 Ų59.762%0.61532%0.316SS*.Hα-helixtrans-64.1-43.6175.3-74.7176.3-171-178.56.6112.1L124 S125 V126 H130 G131 D133L124-R128 WeakPolarHBondContact O-CB 3.41Å; L124-R128 VanDerWaalsContact O-CG 3.26Å; L124-R128 WeakPolarHBondContact O-CG 3.45Å; L124-R128 PolarHBondContact O-N 2.98Å; S125-R128 PolarHBondContact O-N 2.84Å; V126-R128 PolarHBondContact O-N 3.26Å; R128-H130 PolarHBondContact O-N 3.33Å; R128-G131 WeakPolarHBondContact O-CA 3.49Å; R128-G131 PolarHBondContact O-N 3.17Å; R128-D133 HydrophobicContact CG-CB 3.87Å; R128-D133 WeakPolarHBondContact CG-OD2 3.19Å
129T88.9Confident91.1Very high106 Ų10659.8 Ų59.865%0.6532%0.316SS*.Hα-helixtrans-58.4-38.5175.3-590000111S125 V126 G131S125-T129 WeakPolarHBondContact O-CB 3.49Å; S125-T129 PolarHBondContact O-N 2.81Å; S125-T129 PolarHBondContact O-OG1 3.12Å; V126-T129 WeakPolarHBondContact O-CB 3.34Å; V126-T129 PolarHBondContact O-N 3.26Å; T129-G131 VanDerWaalsContact C-N 3.33Å
130H89.3Confident91.5Very high27 Ų2755 Ų5513%0.12529%0.287CS..THydrogen-bonded Turntrans-85.31.3174.8-72.1-76.9000113.7R48 L72 V126 L127 R128 V132R48-H130 PolarHBondContact NH1-O 2.84Å; R48-H130 PolarHBondContact NH2-O 3.11Å; L72-H130 HydrophobicContact CD1-CB 4.21Å; L72-H130 VanDerWaalsContact CD1-CD2 3.41Å; L72-H130 WeakPolarHBondContact CD1-CD2 3.3Å; V126-H130 PolarHBondContact O-CD2 3.13Å; V126-H130 PolarHBondContact O-N 2.98Å; L127-H130 CarbonylContact O-C 3.53Å; L127-H130 PolarHBondContact O-N 2.55Å; R128-H130 PolarHBondContact O-N 3.33Å; H130-V132 VanDerWaalsContact C-N 3.32Å; H130-V132 HydrophobicContact CB-CG2 3.82Å; H130-V132 PolarHBondContact O-N 3.28Å
131G89.3Confident91.7Very high24 Ų2453.3 Ų53.325%0.24728%0.277CS..THydrogen-bonded Turntrans52.444.9-179.500000113.7R48 L127 R128 T129R48-G131 PolarHBondContact NH1-O 2.92Å; L127-G131 PolarHBondContact O-N 2.85Å; R128-G131 WeakPolarHBondContact O-CA 3.49Å; R128-G131 PolarHBondContact O-N 3.17Å; T129-G131 VanDerWaalsContact C-N 3.33Å
132V93Very high92Very high1 Ų145 Ų451%0.00624%0.238CC..  trans-135.617.2-179.1-690000111.8T11 L72 L127 H130 H134 L135 L140 L143T11-V132 HydrophobicContact CG2-CG1 4.42Å; L72-V132 HydrophobicContact CD2-CG2 4.13Å; L127-V132 HydrophobicContact CD2-CG2 3.88Å; L127-V132 PolarHBondContact O-N 3.39Å; H130-V132 VanDerWaalsContact C-N 3.32Å; H130-V132 HydrophobicContact CB-CG2 3.82Å; H130-V132 PolarHBondContact O-N 3.28Å; V132-H134 PolarHBondContact O-N 3Å; V132-L135 HydrophobicContact CB-CD1 3.95Å; V132-L135 HydrophobicContact CB-CG 4.28Å; V132-L135 HydrophobicContact CG1-CD1 4.09Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 3.01Å; V132-L140 HydrophobicContact CB-CD2 4.14Å; V132-L140 HydrophobicContact CG2-CD2 4.1Å; V132-L143 HydrophobicContact CB-CD2 4.48Å; V132-L143 HydrophobicContact CG1-CD2 3.86Å
133D91.9Very high92.2Very high79 Ų7943.5 Ų43.542%0.42223%0.231SC..THydrogen-bonded Turntrans-70.3-15.9178.556.3-57.3000113.7L127 R128L127-D133 HydrophobicContact CB-CB 3.86Å; R128-D133 HydrophobicContact CG-CB 3.87Å; R128-D133 WeakPolarHBondContact CG-OD2 3.19Å
134H91.4Very high92.4Very high75 Ų7543.5 Ų43.535%0.34723%0.231SC..THydrogen-bonded Turntrans-81.6-11.7173.165-72.4000114.1G8 V132G8-H134 VanDerWaalsContact C-NE2 3.3Å; G8-H134 VanDerWaalsContact CA-CE1 3.49Å; G8-H134 WeakPolarHBondContact CA-CE1 3.14Å; G8-H134 VanDerWaalsContact CA-NE2 3.31Å; G8-H134 WeakPolarHBondContact CA-NE2 3.49Å; G8-H134 PolarHBondContact O-NE2 3.37Å; V132-H134 PolarHBondContact O-N 3Å
135L94.3Very high92.5Very high12 Ų1241 Ų416%0.06322%0.218CC..SBendtrans-77.3140.3-178.3-65.2-173.5000111.3T11 Q12 V132 E139 L140 L143T11-L135 HydrophobicContact CG2-CD1 4.11Å; Q12-L135 HydrophobicContact CB-CD2 3.73Å; Q12-L135 HydrophobicContact CG-CD2 3.97Å; V132-L135 HydrophobicContact CB-CD1 3.95Å; V132-L135 HydrophobicContact CB-CG 4.28Å; V132-L135 HydrophobicContact CG1-CD1 4.09Å; V132-L135 WeakPolarHBondContact O-CB 3.32Å; V132-L135 PolarHBondContact O-N 3.01Å; L135-E139 HydrophobicContact CB-CB 4.11Å; L135-E139 HydrophobicContact CD2-CB 4.27Å; L135-L140 HydrophobicContact CB-CD1 4.34Å; L135-L140 HydrophobicContact CB-CD2 3.89Å; L135-L140 HydrophobicContact CB-CG 3.65Å; L135-L140 HydrophobicContact CD1-CD2 3.91Å; L135-L140 HydrophobicContact CD1-CG 4.38Å; L135-L140 HydrophobicContact CG-CD2 4.44Å; L135-L143 HydrophobicContact CD1-CD2 3.99Å
136S93.4Very high92.7Very high57 Ų5737.7 Ų37.740%0.39920%0.195SC..  trans-65.8165169.968.70000111.6N138 E139 L140S136-N138 VanDerWaalsContact C-N 3.3Å; S136-N138 PolarHBondContact O-N 3.34Å; S136-E139 VanDerWaalsContact CB-OE2 3.25Å; S136-E139 WeakPolarHBondContact CB-OE2 3.35Å; S136-E139 PolarHBondContact N-OE2 3.26Å; S136-E139 PolarHBondContact O-N 2.82Å; S136-E139 VanDerWaalsContact OG-CG 3.27Å; S136-E139 WeakPolarHBondContact OG-CG 3.5Å; S136-E139 PolarHBondContact OG-N 3.35Å; S136-E139 PolarHBondContact OG-OE2 2.93Å; S136-L140 WeakPolarHBondContact O-CG 3.23Å; S136-L140 PolarHBondContact O-N 3.48Å
137Y91Very high92.8Very high77 Ų7738 Ų3830%0.30220%0.196SC..Hα-helixtrans-52.8-47.2177.3-176.5-91.2000112.6L94 M98 L118 L140 C141L94-Y137 HydrophobicContact CD2-CE2 4.25Å; M98-Y137 PolarHBondContact O-OH 3.43Å; L118-Y137 HydrophobicContact CD1-CD2 3.47Å; L118-Y137 VanDerWaalsContact CD1-CD2 3.47Å; L118-Y137 HydrophobicContact CD1-CE2 4.06Å; L118-Y137 HydrophobicContact CD1-CG 4.36Å; L118-Y137 HydrophobicContact CG-CD2 4.18Å; L118-Y137 HydrophobicContact CG-CE2 4.41Å; Y137-L140 PolarHBondContact O-N 2.85Å; Y137-C141 WeakPolarHBondContact CE1-SG 3.27Å; Y137-C141 PolarHBondContact O-N 3.13Å; Y137-C141 PolarHBondContact O-SG 3.29Å; Y137-C141 VanDerWaalsContact O-SG 3.32Å
138N90.9Very high92.7Very high113 Ų11338 Ų3860%0.60420%0.196SC*.Hα-helixtrans-67.2-40-177.7-71.2-22.8000112.2S136 C141 Q142S136-N138 VanDerWaalsContact C-N 3.3Å; S136-N138 PolarHBondContact O-N 3.34Å; N138-C141 PolarHBondContact O-N 3.46Å; N138-Q142 PolarHBondContact O-N 3.36Å
139E94.9Very high92.6Very high22 Ų2235 Ų3510%0.10320%0.197CC..Hα-helixtrans-65.3-40.7175.8-70.3162.2149.800111Q12 C15 A16 L135 S136 Q142 L143Q12-E139 WeakPolarHBondContact CG-OE1 3.41Å; C15-E139 HydrophobicContact CB-CB 3.71Å; C15-E139 HydrophobicContact CB-CG 4.04Å; A16-E139 HydrophobicContact CB-CG 4.49Å; L135-E139 HydrophobicContact CB-CB 4.11Å; L135-E139 HydrophobicContact CD2-CB 4.27Å; S136-E139 VanDerWaalsContact CB-OE2 3.25Å; S136-E139 WeakPolarHBondContact CB-OE2 3.35Å; S136-E139 PolarHBondContact N-OE2 3.26Å; S136-E139 PolarHBondContact O-N 2.82Å; S136-E139 VanDerWaalsContact OG-CG 3.27Å; S136-E139 WeakPolarHBondContact OG-CG 3.5Å; S136-E139 PolarHBondContact OG-N 3.35Å; S136-E139 PolarHBondContact OG-OE2 2.93Å; E139-Q142 WeakPolarHBondContact O-CB 3.44Å; E139-Q142 PolarHBondContact O-N 3.48Å; E139-L143 PolarHBondContact O-N 2.99Å
140L94.3Very high92.6Very high5 Ų533.3 Ų33.33%0.02618%0.179CC..Hα-helixtrans-64.7-42.5174.3-76.8169.7000112.3L72 L118 L127 V132 L135 S136 Y137 Q142 L143 L144L72-L140 HydrophobicContact CD2-CD2 4.4Å; L118-L140 HydrophobicContact CD1-CD1 3.65Å; L127-L140 HydrophobicContact CD1-CD1 4.21Å; L127-L140 HydrophobicContact CD2-CD1 3.97Å; L127-L140 HydrophobicContact CD2-CD2 3.74Å; V132-L140 HydrophobicContact CB-CD2 4.14Å; V132-L140 HydrophobicContact CG2-CD2 4.1Å; L135-L140 HydrophobicContact CB-CD1 4.34Å; L135-L140 HydrophobicContact CB-CD2 3.89Å; L135-L140 HydrophobicContact CB-CG 3.65Å; L135-L140 HydrophobicContact CD1-CD2 3.91Å; L135-L140 HydrophobicContact CD1-CG 4.38Å; L135-L140 HydrophobicContact CG-CD2 4.44Å; S136-L140 WeakPolarHBondContact O-CG 3.23Å; S136-L140 PolarHBondContact O-N 3.48Å; Y137-L140 PolarHBondContact O-N 2.85Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.37Å; L140-L143 PolarHBondContact O-N 3.41Å; L140-L144 WeakPolarHBondContact O-CB 3.19Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.49Å
141C93.3Very high92.7Very high8 Ų832 Ų325%0.05417%0.173CC..Hα-helixtrans-59.8-45.8174.3-72.90000111.1V99 Y137 N138 L143 L144 F145V99-C141 HydrophobicContact CG1-CB 4.4Å; Y137-C141 WeakPolarHBondContact CE1-SG 3.27Å; Y137-C141 PolarHBondContact O-N 3.13Å; Y137-C141 PolarHBondContact O-SG 3.29Å; Y137-C141 VanDerWaalsContact O-SG 3.32Å; N138-C141 PolarHBondContact O-N 3.46Å; C141-L143 VanDerWaalsContact C-N 3.34Å; C141-L143 PolarHBondContact O-N 3.28Å; C141-L144 PolarHBondContact O-N 3.3Å; C141-F145 HydrophobicContact CB-CD2 4.5Å; C141-F145 HydrophobicContact CB-CE2 4.45Å; C141-F145 WeakPolarHBondContact O-CD2 3.32Å; C141-F145 PolarHBondContact O-N 3.46Å
142Q94.9Very high92.9Very high2 Ų232 Ų321%0.00917%0.167CC..Hα-helixtrans-57.6-46.8175.5-179.459.950.900111.7G18 N138 E139 L140 L144 F145 Q146 R222G18-Q142 VanDerWaalsContact C-CD 3.49Å; G18-Q142 PolarHBondContact O-NE2 2.89Å; N138-Q142 PolarHBondContact O-N 3.36Å; E139-Q142 WeakPolarHBondContact O-CB 3.44Å; E139-Q142 PolarHBondContact O-N 3.48Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 3.37Å; Q142-L144 PolarHBondContact O-N 2.98Å; Q142-F145 PolarHBondContact O-N 2.85Å; Q142-Q146 VanDerWaalsContact NE2-OE1 3.1Å; Q142-Q146 PolarHBondContact O-N 2.98Å; Q142-R222 VanDerWaalsContact OE1-NH1 3.07Å
143L95.3Very high92.9Very high2 Ų232.6 Ų32.61%0.0117%0.171CC..Hα-helixtrans-61.1-43.9177.7-173.466000111.7A68 V132 L135 E139 L140 C141 N147A68-L143 HydrophobicContact CB-CD1 3.76Å; V132-L143 HydrophobicContact CB-CD2 4.48Å; V132-L143 HydrophobicContact CG1-CD2 3.86Å; L135-L143 HydrophobicContact CD1-CD2 3.99Å; E139-L143 PolarHBondContact O-N 2.99Å; L140-L143 PolarHBondContact O-N 3.41Å; C141-L143 VanDerWaalsContact C-N 3.34Å; C141-L143 PolarHBondContact O-N 3.28Å; L143-N147 WeakPolarHBondContact O-CB 3.12Å; L143-N147 PolarHBondContact O-N 2.8Å; L143-N147 PolarHBondContact O-ND2 3.08Å
144L94.9Very high92.9Very high1 Ų134.6 Ų34.61%0.00518%0.178CC..Hα-helixtrans-64.2-46.2178.8-76.8169000112.1L72 L74 L92 L140 C141 Q142 Q146 N147 D148 L151L72-L144 HydrophobicContact CD2-CD2 3.97Å; L72-L144 HydrophobicContact CD2-CG 4.41Å; L72-L144 HydrophobicContact CG-CD2 4.02Å; L74-L144 HydrophobicContact CD2-CD1 4.33Å; L92-L144 HydrophobicContact CD1-CD1 4.09Å; L92-L144 HydrophobicContact CD1-CD2 4.32Å; L140-L144 WeakPolarHBondContact O-CB 3.19Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.36Å; L140-L144 PolarHBondContact O-N 3.49Å; C141-L144 PolarHBondContact O-N 3.3Å; Q142-L144 PolarHBondContact O-N 2.98Å; L144-Q146 VanDerWaalsContact C-N 3.34Å; L144-Q146 PolarHBondContact O-N 3.37Å; L144-N147 PolarHBondContact O-N 3.26Å; L144-D148 WeakPolarHBondContact O-CB 3.27Å; L144-D148 PolarHBondContact O-N 3.44Å; L144-L151 HydrophobicContact CB-CD1 3.71Å
145F93.9Very high93Very high3 Ų332.4 Ų32.41%0.01317%0.168CC..Hα-helixtrans-59.9-40.2-176.8-88-62.8000113.6V99 Y100 C141 Q142 L151 L152 M215 L219 I226V99-F145 HydrophobicContact CG1-CD2 4.33Å; V99-F145 HydrophobicContact CG1-CE1 4.43Å; V99-F145 HydrophobicContact CG1-CE2 3.7Å; V99-F145 HydrophobicContact CG1-CZ 3.76Å; V99-F145 VanDerWaalsContact O-CE2 3.29Å; V99-F145 WeakPolarHBondContact O-CE2 3.48Å; V99-F145 WeakPolarHBondContact O-CZ 3.22Å; Y100-F145 AromaticContact CD1-CE1 3.83Å; Y100-F145 HydrophobicContact CD1-CE1 3.83Å; Y100-F145 AromaticContact CD1-CZ 3.72Å; Y100-F145 HydrophobicContact CD1-CZ 3.72Å; Y100-F145 AromaticContact CE1-CE1 3.79Å; Y100-F145 HydrophobicContact CE1-CE1 3.79Å; Y100-F145 HydrophobicContact CE1-CZ 4.18Å; C141-F145 HydrophobicContact CB-CD2 4.5Å; C141-F145 HydrophobicContact CB-CE2 4.45Å; C141-F145 WeakPolarHBondContact O-CD2 3.32Å; C141-F145 PolarHBondContact O-N 3.46Å; Q142-F145 PolarHBondContact O-N 2.85Å; F145-L151 HydrophobicContact CD1-CB 3.87Å; F145-L151 HydrophobicContact CE1-CB 4.11Å; F145-L152 HydrophobicContact CD1-CD2 4.21Å; F145-M215 HydrophobicContact CE1-CE 4.47Å; F145-L219 HydrophobicContact CD2-CD1 3.96Å; F145-L219 HydrophobicContact CE1-CD1 4.35Å; F145-L219 HydrophobicContact CE1-CD2 4.14Å; F145-L219 HydrophobicContact CE2-CD1 3.54Å; F145-L219 HydrophobicContact CE2-CD2 3.9Å; F145-L219 HydrophobicContact CE2-CG 4.39Å; F145-L219 HydrophobicContact CZ-CD1 3.76Å; F145-L219 HydrophobicContact CZ-CD2 3.39Å; F145-L219 HydrophobicContact CZ-CG 4.22Å; F145-I226 HydrophobicContact CB-CD1 4.23Å; F145-I226 HydrophobicContact CB-CG2 3.76Å; F145-I226 HydrophobicContact CG-CD1 4.46Å
146Q94.4Very high92.9Very high3 Ų331.9 Ų31.91%0.01417%0.166CC..Hα-helixtrans-84.9-9.4-179.671.1-170.737.900114G19 A68 Q142 L144 N229 A230 I233G19-Q146 PolarHBondContact O-NE2 3.22Å; A68-Q146 PolarHBondContact O-NE2 2.92Å; Q142-Q146 VanDerWaalsContact NE2-OE1 3.1Å; Q142-Q146 PolarHBondContact O-N 2.98Å; L144-Q146 VanDerWaalsContact C-N 3.34Å; L144-Q146 PolarHBondContact O-N 3.37Å; Q146-N229 HydrophobicContact CB-CB 3.9Å; Q146-N229 PolarHBondContact OE1-ND2 2.9Å; Q146-A230 WeakPolarHBondContact O-CA 3.48Å; Q146-A230 WeakPolarHBondContact O-CB 3.11Å; Q146-I233 HydrophobicContact CB-CD1 4.25Å; Q146-I233 HydrophobicContact CG-CD1 3.9Å
147N94.4Very high92.9Very high12 Ų1235 Ų356%0.06417%0.174CC..Hα-helixtrans-113.8-27.6-177.9-75-83000114.2A68 A69 S70 R73 L143 L144 P149A68-N147 PolarHBondContact O-ND2 3.43Å; A69-N147 WeakPolarHBondContact CA-OD1 3.36Å; S70-N147 PolarHBondContact N-OD1 2.58Å; S70-N147 WeakPolarHBondContact O-CB 3.41Å; S70-N147 PolarHBondContact O-OD1 3.28Å; R73-N147 PolarHBondContact NE-O 3.07Å; R73-N147 PolarHBondContact NH1-O 2.92Å; R73-N147 PolarHBondContact NH2-O 3.22Å; L143-N147 WeakPolarHBondContact O-CB 3.12Å; L143-N147 PolarHBondContact O-N 2.8Å; L143-N147 PolarHBondContact O-ND2 3.08Å; L144-N147 PolarHBondContact O-N 3.26Å; N147-P149 WeakPolarHBondContact O-CD 3.4Å
148D93Very high92.8Very high6 Ų636.5 Ų36.53%0.03218%0.184CC..  trans-102.2103.3178.8-168.1-17.2000111.2L74 L144 W150 L151L74-D148 PolarHBondContact N-OD2 3.38Å; L144-D148 WeakPolarHBondContact O-CB 3.27Å; L144-D148 PolarHBondContact O-N 3.44Å; D148-W150 PolarHBondContact O-N 2.85Å; D148-W150 VanDerWaalsContact OD1-CB 3.27Å; D148-W150 WeakPolarHBondContact OD1-CB 3.31Å; D148-W150 PolarHBondContact OD1-N 3.26Å; D148-L151 HydrophobicContact CB-CD1 4.08Å; D148-L151 HydrophobicContact CB-CG 4.25Å; D148-L151 PolarHBondContact O-N 3.43Å; D148-L151 VanDerWaalsContact O-N 3.08Å
149P88.3Confident92.8Very high99 Ų9931.7 Ų31.764%0.64316%0.157SC*.THydrogen-bonded Turntrans-61-18.2-178.5-23.134.4000114.1N147 L151N147-P149 WeakPolarHBondContact O-CD 3.4Å; P149-L151 VanDerWaalsContact C-N 3.25Å; P149-L151 PolarHBondContact O-N 3.49Å
150W89.7Confident92.6Very high72 Ų7231.9 Ų31.927%0.27316%0.159SC..THydrogen-bonded Turntrans-73.6-17.3179.2-176.460.4000113.7L74 Q79 K96 D148L74-W150 HydrophobicContact CB-CE3 4.18Å; L74-W150 HydrophobicContact CB-CZ3 3.95Å; L74-W150 HydrophobicContact CD1-CE3 4.38Å; L74-W150 HydrophobicContact CD1-CZ3 3.87Å; Q79-W150 HydrophobicContact CB-CH2 3.94Å; Q79-W150 HydrophobicContact CG-CH2 3.62Å; Q79-W150 HydrophobicContact CG-CZ3 4.01Å; K96-W150 HydrophobicContact CB-CH2 3.98Å; K96-W150 HydrophobicContact CB-CZ3 4.15Å; K96-W150 HydrophobicContact CD-CD2 4.5Å; K96-W150 HydrophobicContact CD-CE3 4.29Å; K96-W150 HydrophobicContact CD-CH2 3.44Å; K96-W150 VanDerWaalsContact CD-CH2 3.44Å; K96-W150 HydrophobicContact CD-CZ2 3.69Å; K96-W150 HydrophobicContact CD-CZ3 3.78Å; K96-W150 HydrophobicContact CG-CH2 4.24Å; K96-W150 HydrophobicContact CG-CZ3 4.32Å; K96-W150 PolarHBondContact NZ-O 2.96Å; D148-W150 PolarHBondContact O-N 2.85Å; D148-W150 VanDerWaalsContact OD1-CB 3.27Å; D148-W150 WeakPolarHBondContact OD1-CB 3.31Å; D148-W150 PolarHBondContact OD1-N 3.26Å
151L91.4Very high92.2Very high0 Ų037.6 Ų37.60%018%0.183CC..SBendtrans-86.7-19178.1-72.4178.1000113.2L74 K96 V99 Y100 L144 F145 D148 P149L74-L151 HydrophobicContact CD1-CD1 4.4Å; L74-L151 HydrophobicContact CD1-CD2 3.64Å; L74-L151 HydrophobicContact CD1-CG 4.35Å; K96-L151 HydrophobicContact CD-CD2 4.45Å; K96-L151 HydrophobicContact CG-CD2 4.02Å; V99-L151 HydrophobicContact CG1-CD1 4.09Å; V99-L151 HydrophobicContact CG1-CD2 4.32Å; Y100-L151 HydrophobicContact CE1-CD2 4.12Å; Y100-L151 WeakPolarHBondContact CE1-O 3.24Å; Y100-L151 PolarHBondContact OH-O 2.99Å; L144-L151 HydrophobicContact CB-CD1 3.71Å; F145-L151 HydrophobicContact CD1-CB 3.87Å; F145-L151 HydrophobicContact CE1-CB 4.11Å; D148-L151 HydrophobicContact CB-CD1 4.08Å; D148-L151 HydrophobicContact CB-CG 4.25Å; D148-L151 PolarHBondContact O-N 3.43Å; D148-L151 VanDerWaalsContact O-N 3.08Å; P149-L151 VanDerWaalsContact C-N 3.25Å; P149-L151 PolarHBondContact O-N 3.49Å
152L92.9Very high91.3Very high23 Ų2339.5 Ų39.512%0.1220%0.204CC..SBendtrans-86.4132.7179.2-62.8179.4000110.6F145 I226 Y227 A230F145-L152 HydrophobicContact CD1-CD2 4.21Å; L152-I226 HydrophobicContact CD2-CG2 3.55Å; L152-Y227 HydrophobicContact CB-CE1 3.96Å; L152-Y227 HydrophobicContact CD1-CD1 4.02Å; L152-Y227 HydrophobicContact CD1-CE1 4.04Å; L152-Y227 HydrophobicContact CD2-CE2 4.45Å; L152-Y227 HydrophobicContact CG-CE1 4.45Å; L152-A230 HydrophobicContact CD1-CB 3.93Å
153P92.4Very high90.3Very high13 Ų1345.9 Ų45.98%0.08424%0.239CC..PPolyproline II helixtrans-54.8148.2168.9-2634.5000111.7L178 L210 L213 M215 Y227P153-L178 HydrophobicContact CB-CD1 3.67Å; P153-L178 HydrophobicContact CB-CG 4.02Å; P153-L178 HydrophobicContact CG-CD1 4.3Å; P153-L210 HydrophobicContact CB-CD2 4.46Å; P153-L210 HydrophobicContact CG-CD2 3.83Å; P153-L213 HydrophobicContact CB-CD1 4.33Å; P153-L213 HydrophobicContact CG-CD1 4.14Å; P153-M215 HydrophobicContact CG-CE 3.52Å; P153-M215 HydrophobicContact CG-SD 4.03Å; P153-Y227 WeakPolarHBondContact CD-OH 3.28Å; P153-Y227 PolarHBondContact O-OH 2.62Å
154E92.4Very high89.6Confident122 Ų12248.1 Ų48.157%0.5726%0.262SS*.PPolyproline II helixtrans-77.8137.1179.9-67.8-171.5-168.700111.5K177 L178E154-K177 HydrophobicContact CB-CD 4.03Å; E154-K177 HydrophobicContact CB-CG 4.09Å; E154-K177 WeakPolarHBondContact O-CA 3.01Å; E154-K177 WeakPolarHBondContact O-CB 3.44Å; E154-K177 WeakPolarHBondContact OE2-CE 3.37Å; E154-K177 IonicContact OE2-NZ 2.74Å; E154-K177 PolarHBondContact OE2-NZ 2.79Å; E154-L178 PolarHBondContact O-N 2.91Å
155I93.6Very high88.9Confident28 Ų2853.1 Ų53.114%0.14429%0.294CS..BIsolated β-bridgetrans-87.8132.4171.3-51.2-55.5000109.1Q157 L178 I180 L185 Y227I155-Q157 PolarHBondContact O-N 2.86Å; I155-L178 HydrophobicContact CD1-CB 3.9Å; I155-L178 HydrophobicContact CD1-CD1 4.1Å; I155-I180 WeakPolarHBondContact CG2-O 3.49Å; I155-L185 HydrophobicContact CD1-CD1 3.56Å; I155-L185 HydrophobicContact CG1-CD1 3.6Å; I155-Y227 HydrophobicContact CD1-CE1 3.99Å; I155-Y227 HydrophobicContact CG1-CE1 3.99Å
156C92.1Very high88.6Confident2 Ų254.4 Ų54.41%0.01430%0.3CS..  trans-70.4111.9178.1-172.80000110.6H158 Y159 N160 C169 K177 L178 H179C156-H158 VanDerWaalsContact C-N 3.29Å; C156-H158 PolarHBondContact O-N 2.91Å; C156-Y159 PolarHBondContact O-N 3.1Å; C156-Y159 PolarHBondContact SG-N 3.35Å; C156-N160 PolarHBondContact O-N 3.41Å; C156-N160 PolarHBondContact O-ND2 2.79Å; C156-C169 VanDerWaalsContact SG-SG 3.65Å; C156-K177 HydrophobicContact CB-CB 3.77Å; C156-L178 WeakPolarHBondContact CB-O 3.48Å; C156-L178 PolarHBondContact N-O 3.4Å; C156-H179 VanDerWaalsContact CB-CD2 3.42Å; C156-H179 WeakPolarHBondContact CB-CD2 3.41Å
157Q92.4Very high88.3Confident122 Ų12255.1 Ų55.157%0.5731%0.308SS*.THydrogen-bonded Turntrans-68.2-31.3177.3-64.6-177.510.300112.2I155 N160I155-Q157 PolarHBondContact O-N 2.86Å; Q157-N160 PolarHBondContact O-N 2.82Å; Q157-N160 VanDerWaalsContact O-N 3.16Å
158H90.3Very high88Confident108 Ų10857.4 Ų57.450%0.533%0.325SS..THydrogen-bonded Turntrans-70.7-34.6176.8-59-75.2000112C156 N160 K161 S168 C169C156-H158 VanDerWaalsContact C-N 3.29Å; C156-H158 PolarHBondContact O-N 2.91Å; H158-N160 PolarHBondContact O-N 3.39Å; H158-K161 PolarHBondContact O-N 3.43Å; H158-K161 VanDerWaalsContact O-N 3.12Å; H158-S168 PolarHBondContact O-N 3.37Å; H158-S168 VanDerWaalsContact O-N 3.09Å; H158-S168 PolarHBondContact O-OG 3.17Å; H158-S168 VanDerWaalsContact O-OG 3.06Å; H158-C169 HydrophobicContact CB-CB 4.09Å
159Y90.3Very high87.8Confident13 Ų1357.3 Ų57.35%0.05133%0.325CS..THydrogen-bonded Turntrans-61.7-26.4170.2176.3-100.6000112C156 K161 P165 H179 R197 S198C156-Y159 PolarHBondContact O-N 3.1Å; C156-Y159 PolarHBondContact SG-N 3.35Å; Y159-K161 VanDerWaalsContact C-N 3.29Å; Y159-K161 PolarHBondContact O-N 3.12Å; Y159-P165 WeakPolarHBondContact CE2-O 3.35Å; Y159-H179 VanDerWaalsContact CB-CD2 3.41Å; Y159-H179 WeakPolarHBondContact CB-CD2 3.38Å; Y159-H179 HydrophobicContact CD1-CB 3.97Å; Y159-H179 HydrophobicContact CD2-CB 3.64Å; Y159-H179 AromaticContact CD2-CD2 3.82Å; Y159-H179 AromaticContact CD2-CG 3.53Å; Y159-H179 AromaticContact CD2-ND1 3.9Å; Y159-H179 HydrophobicContact CE1-CB 4.09Å; Y159-H179 HydrophobicContact CE2-CB 3.76Å; Y159-H179 HydrophobicContact CG-CB 3.75Å; Y159-H179 AromaticContact CG-CD2 3.63Å; Y159-H179 AromaticContact CG-CG 3.71Å; Y159-R197 HydrophobicContact CE1-CB 4.01Å; Y159-R197 HydrophobicContact CE1-CG 4.38Å; Y159-R197 WeakPolarHBondContact O-CD 3.33Å; Y159-R197 PolarHBondContact O-NE 3.38Å; Y159-R197 PolarHBondContact O-NH1 2.9Å; Y159-R197 PolarHBondContact O-NH2 3.4Å; Y159-R197 WeakPolarHBondContact OH-CA 3.44Å; Y159-S198 PolarHBondContact OH-N 3.28Å
160N89.8Confident87.7Confident25 Ų2556.9 Ų56.913%0.13433%0.33CS..THydrogen-bonded Turntrans-87.74.5178.9-78-81.3000113.5C156 Q157 H158 I180 C181 Q182C156-N160 PolarHBondContact O-N 3.41Å; C156-N160 PolarHBondContact O-ND2 2.79Å; Q157-N160 PolarHBondContact O-N 2.82Å; Q157-N160 VanDerWaalsContact O-N 3.16Å; H158-N160 PolarHBondContact O-N 3.39Å; N160-I180 PolarHBondContact ND2-O 3.35Å; N160-I180 PolarHBondContact OD1-O 3.15Å; N160-C181 VanDerWaalsContact OD1-CA 3.29Å; N160-C181 WeakPolarHBondContact OD1-CA 3.5Å; N160-Q182 HydrophobicContact CB-CB 4.45Å; N160-Q182 PolarHBondContact OD1-N 3.33Å
161K85.6Confident87.4Confident125 Ų12559.9 Ų59.954%0.54335%0.345SS..SBendtrans-127158.4-177.8-66.1178.5-178.2-178.80110.8H158 Y159 G167 S168 R197H158-K161 PolarHBondContact O-N 3.43Å; H158-K161 VanDerWaalsContact O-N 3.12Å; Y159-K161 VanDerWaalsContact C-N 3.29Å; Y159-K161 PolarHBondContact O-N 3.12Å; K161-G167 CarbonylContact O-C 3.5Å; K161-G167 VanDerWaalsContact O-C 3.29Å; K161-G167 WeakPolarHBondContact O-CA 3.33Å; K161-S168 PolarHBondContact O-N 3.05Å; K161-R197 PolarHBondContact O-NH2 3.28Å
162G76.1Confident87.2Confident48 Ų4865.1 Ų65.150%0.49537%0.37SS..SBendtrans74177.717800000114.8R197G162-R197 PolarHBondContact O-NH2 3.22Å
163D73.9Confident86.7Confident137 Ų13771.7 Ų71.773%0.73340%0.398SS*.SBendtrans-99164.3179.1-69-58.9000112
164G79.6Confident86.3Confident48 Ų4879.2 Ų79.250%0.49543%0.432SS..SBendtrans93.5171.3-179.900000115.5H166 G167G164-H166 VanDerWaalsContact C-N 3.26Å; G164-H166 PolarHBondContact O-N 2.85Å; G164-G167 PolarHBondContact O-N 2.98Å; G164-G167 VanDerWaalsContact O-N 3.09Å
165P80.8Confident86.1Confident106 Ų10673.9 Ų73.969%0.68841%0.407SS*.THydrogen-bonded Turntrans-64.1-26.8-168.624.6-34.3000113.9Y159Y159-P165 WeakPolarHBondContact CE2-O 3.35Å
166H87.1Confident85.8Confident30 Ų3080 Ų8014%0.13944%0.439CS..THydrogen-bonded Turntrans-111.57.4177-61.8-68.8000113.4G164 C169 Q172 H179 E205G164-H166 VanDerWaalsContact C-N 3.26Å; G164-H166 PolarHBondContact O-N 2.85Å; H166-C169 WeakPolarHBondContact O-CB 3.31Å; H166-C169 PolarHBondContact O-N 3.18Å; H166-Q172 HydrophobicContact CB-CB 4.41Å; H166-Q172 HydrophobicContact CB-CG 4.22Å; H166-H179 AromaticContact ND1-ND1 3.79Å; H166-E205 IonicContact CE1-OE2 3.31Å; H166-E205 PolarHBondContact CE1-OE2 2.79Å; H166-E205 IonicContact ND1-OE2 3.62Å
167G87.8Confident85.9Confident18 Ų1883.7 Ų83.719%0.18645%0.454CS..THydrogen-bonded Turntrans59-139.9-174.200000112.1K161 G164 C169K161-G167 CarbonylContact O-C 3.5Å; K161-G167 VanDerWaalsContact O-C 3.29Å; K161-G167 WeakPolarHBondContact O-CA 3.33Å; G164-G167 PolarHBondContact O-N 2.98Å; G164-G167 VanDerWaalsContact O-N 3.09Å; G167-C169 PolarHBondContact O-N 3.33Å
168S88.1Confident85.9Confident60 Ų6078 Ų7842%0.4243%0.428SS..THydrogen-bonded Turntrans-88.615.1178.779.80000112.8H158 K161 A170H158-S168 PolarHBondContact O-N 3.37Å; H158-S168 VanDerWaalsContact O-N 3.09Å; H158-S168 PolarHBondContact O-OG 3.17Å; H158-S168 VanDerWaalsContact O-OG 3.06Å; K161-S168 PolarHBondContact O-N 3.05Å; S168-A170 PolarHBondContact O-N 3.24Å
169C89.8Confident86.1Confident5 Ų573 Ų733%0.03441%0.405CS..  trans-77.3105.7178.1-173.90000110.3C156 H158 H166 G167 F171 Q172 H179C156-C169 VanDerWaalsContact SG-SG 3.65Å; H158-C169 HydrophobicContact CB-CB 4.09Å; H166-C169 WeakPolarHBondContact O-CB 3.31Å; H166-C169 PolarHBondContact O-N 3.18Å; G167-C169 PolarHBondContact O-N 3.33Å; C169-F171 PolarHBondContact O-N 3.38Å; C169-Q172 PolarHBondContact O-N 3.04Å; C169-H179 PolarHBondContact SG-NE2 3.41Å
170A85.3Confident86.2Confident90 Ų9072.3 Ų72.374%0.74440%0.402SS*.THydrogen-bonded Turntrans-62.6-24.3177.700000113.4S168S168-A170 PolarHBondContact O-N 3.24Å
171F83Confident86.4Confident135 Ų13571.2 Ų71.259%0.59240%0.397SS*.THydrogen-bonded Turntrans-84.6-15-178.2-56.6-74.7000113.9C169 K173 Q174 C175C169-F171 PolarHBondContact O-N 3.38Å; F171-K173 PolarHBondContact O-N 3.25Å; F171-Q174 CarbonylContact O-C 3.57Å; F171-Q174 WeakPolarHBondContact O-CA 3.49Å; F171-Q174 VanDerWaalsContact O-CB 3.31Å; F171-Q174 WeakPolarHBondContact O-CB 3.42Å; F171-Q174 PolarHBondContact O-N 2.9Å; F171-C175 HydrophobicContact CB-CB 3.83Å; F171-C175 PolarHBondContact O-N 3.42Å
172Q87.7Confident86.8Confident109 Ų10968.8 Ų68.851%0.50939%0.387SS..G310 helixtrans44.3-128.5177-53.6-179.119.700112.3H166 C169 Q174 C175 H179H166-Q172 HydrophobicContact CB-CB 4.41Å; H166-Q172 HydrophobicContact CB-CG 4.22Å; C169-Q172 PolarHBondContact O-N 3.04Å; Q172-Q174 PolarHBondContact O-N 2.98Å; Q172-Q174 VanDerWaalsContact O-N 3.13Å; Q172-C175 VanDerWaalsContact O-CB 3.22Å; Q172-C175 WeakPolarHBondContact O-CB 3.49Å; Q172-C175 PolarHBondContact O-N 3.24Å; Q172-H179 PolarHBondContact O-CE1 2.97Å
173K83.6Confident87.5Confident162 Ų16273 Ų7370%0.70439%0.389SS*.G310 helixtrans-60.3-21.3178.6-63-175.7-180-179.10114.4F171 C175F171-K173 PolarHBondContact O-N 3.25Å; K173-C175 VanDerWaalsContact C-N 3.3Å
174Q84.1Confident88.4Confident171 Ų17168.5 Ų68.580%0.79936%0.363SS*.G310 helixtrans-84-4.2177-55.7177.52.600112.7F171 Q172 I176F171-Q174 CarbonylContact O-C 3.57Å; F171-Q174 WeakPolarHBondContact O-CA 3.49Å; F171-Q174 VanDerWaalsContact O-CB 3.31Å; F171-Q174 WeakPolarHBondContact O-CB 3.42Å; F171-Q174 PolarHBondContact O-N 2.9Å; Q172-Q174 PolarHBondContact O-N 2.98Å; Q172-Q174 VanDerWaalsContact O-N 3.13Å; Q174-I176 PolarHBondContact O-N 3.46Å
175C87.5Confident89Confident9 Ų966.6 Ų66.66%0.06134%0.341CS..  trans-65.4122.6177.1-166.80000110.7F171 Q172 K173 K177 H179 K209F171-C175 HydrophobicContact CB-CB 3.83Å; F171-C175 PolarHBondContact O-N 3.42Å; Q172-C175 VanDerWaalsContact O-CB 3.22Å; Q172-C175 WeakPolarHBondContact O-CB 3.49Å; Q172-C175 PolarHBondContact O-N 3.24Å; K173-C175 VanDerWaalsContact C-N 3.3Å; C175-K177 PolarHBondContact O-N 3.26Å; C175-H179 WeakPolarHBondContact CB-NE2 3.41Å; C175-K209 WeakPolarHBondContact O-CE 3.34Å; C175-K209 PolarHBondContact O-NZ 3.35Å
176I87.9Confident89.4Confident156 Ų15663.2 Ų63.280%0.832%0.316SS*.SBendtrans-71.2-11.717763.2169.9000113.7Q174Q174-I176 PolarHBondContact O-N 3.46Å
177K92.6Very high89.3Confident80 Ų8064.2 Ų64.235%0.34833%0.334SS..SBendtrans-90.8154.1177.9-56.7-169.1-170.5-152.80110.1E154 C156 C175 K209E154-K177 HydrophobicContact CB-CD 4.03Å; E154-K177 HydrophobicContact CB-CG 4.09Å; E154-K177 WeakPolarHBondContact O-CA 3.01Å; E154-K177 WeakPolarHBondContact O-CB 3.44Å; E154-K177 WeakPolarHBondContact OE2-CE 3.37Å; E154-K177 IonicContact OE2-NZ 2.74Å; E154-K177 PolarHBondContact OE2-NZ 2.79Å; C156-K177 HydrophobicContact CB-CB 3.77Å; C175-K177 PolarHBondContact O-N 3.26Å; K177-K209 PolarHBondContact O-NZ 3.26Å
178L93.4Very high89.2Confident3 Ų368.4 Ų68.42%0.01635%0.349CS..BIsolated β-bridgetrans-71.6136.7179.3-60.8-177.4000111.1P153 E154 I155 C156 I180 F201 N206 K209 L210P153-L178 HydrophobicContact CB-CD1 3.67Å; P153-L178 HydrophobicContact CB-CG 4.02Å; P153-L178 HydrophobicContact CG-CD1 4.3Å; E154-L178 PolarHBondContact O-N 2.91Å; I155-L178 HydrophobicContact CD1-CB 3.9Å; I155-L178 HydrophobicContact CD1-CD1 4.1Å; C156-L178 WeakPolarHBondContact CB-O 3.48Å; C156-L178 PolarHBondContact N-O 3.4Å; L178-I180 HydrophobicContact CB-CG1 4.31Å; L178-I180 PolarHBondContact O-N 3.28Å; L178-F201 HydrophobicContact CD1-CD1 4.07Å; L178-F201 HydrophobicContact CD1-CE1 3.69Å; L178-N206 HydrophobicContact CD2-CB 4.21Å; L178-K209 HydrophobicContact CD2-CB 4.25Å; L178-K209 HydrophobicContact CD2-CD 4.42Å; L178-L210 HydrophobicContact CD1-CD2 4.04Å; L178-L210 HydrophobicContact CD2-CD2 4.12Å; L178-L210 HydrophobicContact CD2-CG 4.07Å
179H93.4Very high89.3Confident2 Ų266.8 Ų66.81%0.00934%0.337CS..  trans-97.875.4176.7-75.7175.3000109.1C156 Y159 H166 C169 Q172 C175 S198 E205 N206C156-H179 VanDerWaalsContact CB-CD2 3.42Å; C156-H179 WeakPolarHBondContact CB-CD2 3.41Å; Y159-H179 VanDerWaalsContact CB-CD2 3.41Å; Y159-H179 WeakPolarHBondContact CB-CD2 3.38Å; Y159-H179 HydrophobicContact CD1-CB 3.97Å; Y159-H179 HydrophobicContact CD2-CB 3.64Å; Y159-H179 AromaticContact CD2-CD2 3.82Å; Y159-H179 AromaticContact CD2-CG 3.53Å; Y159-H179 AromaticContact CD2-ND1 3.9Å; Y159-H179 HydrophobicContact CE1-CB 4.09Å; Y159-H179 HydrophobicContact CE2-CB 3.76Å; Y159-H179 HydrophobicContact CG-CB 3.75Å; Y159-H179 AromaticContact CG-CD2 3.63Å; Y159-H179 AromaticContact CG-CG 3.71Å; H166-H179 AromaticContact ND1-ND1 3.79Å; C169-H179 PolarHBondContact SG-NE2 3.41Å; Q172-H179 PolarHBondContact O-CE1 2.97Å; C175-H179 WeakPolarHBondContact CB-NE2 3.41Å; H179-S198 WeakPolarHBondContact O-CB 3.43Å; H179-E205 IonicContact CE1-OE1 2.95Å; H179-E205 IonicContact CG-OE1 3.9Å; H179-E205 IonicContact ND1-OE1 3.54Å; H179-E205 PolarHBondContact ND1-OE1 2.91Å; H179-E205 IonicContact ND1-OE2 2.94Å; H179-N206 PolarHBondContact N-OD1 3.32Å; H179-N206 PolarHBondContact O-ND2 2.69Å
180I93.9Very high89.1Confident0 Ų075.3 Ų75.30%037%0.374CS..  trans-127.3146.3179.3-61.2-69.2000109.3I155 N160 L178 Q182 F184 L185 S198 D200 F201 N206I155-I180 WeakPolarHBondContact CG2-O 3.49Å; N160-I180 PolarHBondContact ND2-O 3.35Å; N160-I180 PolarHBondContact OD1-O 3.15Å; L178-I180 HydrophobicContact CB-CG1 4.31Å; L178-I180 PolarHBondContact O-N 3.28Å; I180-Q182 PolarHBondContact O-N 3.48Å; I180-F184 HydrophobicContact CG2-CD1 4.25Å; I180-L185 HydrophobicContact CB-CD1 4.47Å; I180-L185 HydrophobicContact CG2-CD1 3.93Å; I180-L185 HydrophobicContact CG2-CD2 3.84Å; I180-L185 HydrophobicContact CG2-CG 3.86Å; I180-S198 CarbonylContact C-O 3.1Å; I180-S198 WeakPolarHBondContact CA-O 3.5Å; I180-D200 WeakPolarHBondContact CD1-O 3.47Å; I180-F201 HydrophobicContact CD1-CD2 4.22Å; I180-F201 HydrophobicContact CD1-CG 4.26Å; I180-F201 HydrophobicContact CG1-CD1 4.33Å; I180-F201 HydrophobicContact CG1-CD2 4.49Å; I180-F201 HydrophobicContact CG1-CE1 4.21Å; I180-F201 HydrophobicContact CG1-CE2 4.39Å; I180-F201 HydrophobicContact CG1-CG 4.48Å; I180-F201 HydrophobicContact CG1-CZ 4.25Å; I180-F201 HydrophobicContact CG2-CE2 4.09Å; I180-F201 HydrophobicContact CG2-CZ 4.25Å; I180-N206 WeakPolarHBondContact CD1-ND2 3.41Å
181C93.9Very high89.1Confident2 Ų277.6 Ų77.61%0.01437%0.368CS..  trans-61.4116174.9-174.70000111.1N160 Y183 F184 L185 R197 S198 H199N160-C181 VanDerWaalsContact OD1-CA 3.29Å; N160-C181 WeakPolarHBondContact OD1-CA 3.5Å; C181-Y183 VanDerWaalsContact C-N 3.35Å; C181-Y183 PolarHBondContact O-N 3.07Å; C181-F184 HydrophobicContact CB-CB 3.78Å; C181-F184 WeakPolarHBondContact O-CB 3.48Å; C181-F184 PolarHBondContact O-N 2.99Å; C181-L185 WeakPolarHBondContact O-CG 3.43Å; C181-L185 PolarHBondContact O-N 2.89Å; C181-R197 HydrophobicContact CB-CB 3.46Å; C181-R197 VanDerWaalsContact CB-CB 3.46Å; C181-R197 HydrophobicContact CB-CG 4.45Å; C181-S198 WeakPolarHBondContact CB-O 3.41Å; C181-S198 PolarHBondContact N-O 3.39Å; C181-H199 WeakPolarHBondContact CB-CD2 3.29Å
182Q93.6Very high89.2Confident73 Ų7373 Ų7334%0.34136%0.358SS..Hα-helixtrans-63-42.4-180-178.5171.4-8.700111.4N160 I180 F184 L185 Q186N160-Q182 HydrophobicContact CB-CB 4.45Å; N160-Q182 PolarHBondContact OD1-N 3.33Å; I180-Q182 PolarHBondContact O-N 3.48Å; Q182-F184 PolarHBondContact O-N 3.29Å; Q182-L185 WeakPolarHBondContact O-CB 3.46Å; Q182-L185 PolarHBondContact O-N 3.09Å; Q182-Q186 VanDerWaalsContact O-CG 3.27Å; Q182-Q186 WeakPolarHBondContact O-CG 3.44Å; Q182-Q186 PolarHBondContact O-N 3.2Å; Q182-Q186 VanDerWaalsContact O-N 3.11Å; Q182-Q186 PolarHBondContact O-OE1 2.85Å
183Y90.8Very high89Confident137 Ų13778.1 Ų78.154%0.53738%0.378SS..Hα-helixtrans-63.8-29.6178-63.2-73.9000112.6C181 Q186 G187 E188 C189C181-Y183 VanDerWaalsContact C-N 3.35Å; C181-Y183 PolarHBondContact O-N 3.07Å; Y183-Q186 PolarHBondContact O-N 3.14Å; Y183-G187 PolarHBondContact O-N 2.77Å; Y183-G187 VanDerWaalsContact O-N 3.12Å; Y183-E188 CarbonylContact O-C 3.34Å; Y183-E188 PolarHBondContact O-N 2.94Å; Y183-C189 PolarHBondContact O-N 2.93Å
184F92.9Very high89.1Confident43 Ų4375 Ų7519%0.18938%0.377CS..Hα-helixtrans-68.1-43.5175164-106.6000111.8I180 C181 Q182 Q186 G187 C189 H199 P224I180-F184 HydrophobicContact CG2-CD1 4.25Å; C181-F184 HydrophobicContact CB-CB 3.78Å; C181-F184 WeakPolarHBondContact O-CB 3.48Å; C181-F184 PolarHBondContact O-N 2.99Å; Q182-F184 PolarHBondContact O-N 3.29Å; F184-Q186 PolarHBondContact O-N 3.27Å; F184-G187 PolarHBondContact O-N 2.82Å; F184-C189 HydrophobicContact CB-CB 4.09Å; F184-H199 VanDerWaalsContact CB-CD2 3.44Å; F184-H199 WeakPolarHBondContact CB-CD2 3.38Å; F184-H199 WeakPolarHBondContact CB-NE2 3.37Å; F184-H199 HydrophobicContact CD1-CB 3.91Å; F184-H199 HydrophobicContact CD2-CB 3.91Å; F184-H199 AromaticContact CD2-CE1 3.91Å; F184-H199 AromaticContact CD2-CG 3.56Å; F184-H199 AromaticContact CD2-ND1 3.43Å; F184-H199 WeakPolarHBondContact CD2-ND1 3.33Å; F184-H199 HydrophobicContact CE1-CB 3.97Å; F184-H199 WeakPolarHBondContact CE1-O 3.49Å; F184-H199 HydrophobicContact CE2-CB 3.97Å; F184-H199 HydrophobicContact CG-CB 3.87Å; F184-H199 AromaticContact CG-CD2 3.67Å; F184-H199 AromaticContact CG-CG 3.5Å; F184-H199 AromaticContact CG-ND1 3.8Å; F184-H199 HydrophobicContact CZ-CB 4Å; F184-H199 WeakPolarHBondContact CZ-O 3.25Å; F184-P224 HydrophobicContact CE1-CB 4.3Å; F184-P224 HydrophobicContact CZ-CB 4.3Å
185L91.6Very high89.4Confident8 Ų868 Ų684%0.04235%0.347CS..Hα-helixtrans-61.9-30.4175.8-60.8179.3000111.9I155 I180 C181 Q182 G187 F201 Y227 R228I155-L185 HydrophobicContact CD1-CD1 3.56Å; I155-L185 HydrophobicContact CG1-CD1 3.6Å; I180-L185 HydrophobicContact CB-CD1 4.47Å; I180-L185 HydrophobicContact CG2-CD1 3.93Å; I180-L185 HydrophobicContact CG2-CD2 3.84Å; I180-L185 HydrophobicContact CG2-CG 3.86Å; C181-L185 WeakPolarHBondContact O-CG 3.43Å; C181-L185 PolarHBondContact O-N 2.89Å; Q182-L185 WeakPolarHBondContact O-CB 3.46Å; Q182-L185 PolarHBondContact O-N 3.09Å; L185-G187 VanDerWaalsContact C-N 3.34Å; L185-F201 HydrophobicContact CD1-CZ 4.42Å; L185-F201 HydrophobicContact CD2-CE2 3.45Å; L185-F201 VanDerWaalsContact CD2-CE2 3.45Å; L185-F201 HydrophobicContact CD2-CZ 3.46Å; L185-F201 VanDerWaalsContact CD2-CZ 3.46Å; L185-Y227 HydrophobicContact CD1-CD1 4.14Å; L185-Y227 HydrophobicContact CD1-CG 4.16Å; L185-Y227 HydrophobicContact CD2-CD2 4.26Å; L185-Y227 HydrophobicContact CD2-CG 4.22Å; L185-R228 WeakPolarHBondContact O-CA 3.39Å; L185-R228 WeakPolarHBondContact O-CB 3.42Å; L185-R228 PolarHBondContact O-N 3.31Å
186Q89.2Confident89.4Confident35 Ų3576 Ų7616%0.16438%0.38CS..Hα-helixtrans-81.5-12.1176.1-64170.4-41.400113.1Q182 Y183 F184 E188 H231Q182-Q186 VanDerWaalsContact O-CG 3.27Å; Q182-Q186 WeakPolarHBondContact O-CG 3.44Å; Q182-Q186 PolarHBondContact O-N 3.2Å; Q182-Q186 VanDerWaalsContact O-N 3.11Å; Q182-Q186 PolarHBondContact O-OE1 2.85Å; Y183-Q186 PolarHBondContact O-N 3.14Å; F184-Q186 PolarHBondContact O-N 3.27Å; Q186-E188 VanDerWaalsContact C-N 3.3Å; Q186-E188 HydrophobicContact CB-CB 4.39Å; Q186-E188 HydrophobicContact CB-CG 4.19Å; Q186-H231 PolarHBondContact NE2-NE2 3.12Å
187G84.4Confident89.6Confident50 Ų5070 Ų7052%0.51535%0.347SS..THydrogen-bonded Turntrans76.814.7-172.800000114.2Y183 F184 L185Y183-G187 PolarHBondContact O-N 2.77Å; Y183-G187 VanDerWaalsContact O-N 3.12Å; F184-G187 PolarHBondContact O-N 2.82Å; L185-G187 VanDerWaalsContact C-N 3.34Å
188E85.8Confident89.6Confident107 Ų10767.3 Ų67.350%0.534%0.339SS..  trans-112.96-172.3-62.8179.1-177.500112.9Y183 Q186 K190 H231Y183-E188 CarbonylContact O-C 3.34Å; Y183-E188 PolarHBondContact O-N 2.94Å; Q186-E188 VanDerWaalsContact C-N 3.3Å; Q186-E188 HydrophobicContact CB-CB 4.39Å; Q186-E188 HydrophobicContact CB-CG 4.19Å; E188-K190 PolarHBondContact O-N 2.79Å; E188-H231 IonicContact OE1-CE1 2.93Å
189C90Very high89.5Confident25 Ų2569.3 Ų69.317%0.16935%0.348CS..  trans-70.9105.1179.5-173.20000111.6Y183 F184 F191 H199Y183-C189 PolarHBondContact O-N 2.93Å; F184-C189 HydrophobicContact CB-CB 4.09Å; C189-F191 PolarHBondContact O-N 2.86Å; C189-H199 PolarHBondContact SG-CE1 2.95Å; C189-H199 PolarHBondContact SG-NE2 3.22Å
190K86.9Confident89.4Confident185 Ų18572.9 Ų72.980%0.80437%0.367SS*.THydrogen-bonded Turntrans-68.4-16179.2-59.5-176.3-179-179.30114.3E188E188-K190 PolarHBondContact O-N 2.79Å
191F85.3Confident89.2Confident138 Ų13873.1 Ų73.161%0.60537%0.368SS*.THydrogen-bonded Turntrans-93.1-6.8-174.6-55.6-74.4000113.5C189 K193 S194 C195C189-F191 PolarHBondContact O-N 2.86Å; F191-K193 PolarHBondContact O-N 3.39Å; F191-S194 CarbonylContact O-C 3.52Å; F191-S194 WeakPolarHBondContact O-CA 3.48Å; F191-S194 PolarHBondContact O-N 3.44Å; F191-S194 PolarHBondContact O-OG 3.34Å; F191-C195 HydrophobicContact CB-CB 3.82Å; F191-C195 PolarHBondContact O-N 2.73Å
192G84.7Confident88.8Confident37 Ų3776.2 Ų76.238%0.38139%0.39SS..G310 helixtrans48.2-128.9177.400000113.1S194 C195 H199G192-S194 VanDerWaalsContact C-N 3.27Å; G192-S194 PolarHBondContact O-N 3.3Å; G192-C195 WeakPolarHBondContact O-CB 3.27Å; G192-C195 PolarHBondContact O-N 3.23Å; G192-H199 PolarHBondContact O-CE1 2.89Å; G192-H199 PolarHBondContact O-ND1 2.79Å
193K83.7Confident88.6Confident217 Ų21774.7 Ų74.794%0.94338%0.384SS*.G310 helixtrans-69.8-19.7178.4-65.6-176179-179.30114.1F191 C195F191-K193 PolarHBondContact O-N 3.39Å; K193-C195 VanDerWaalsContact C-N 3.28Å
194S86.2Confident88.3Confident98 Ų9873 Ų7369%0.68539%0.393SS*.G310 helixtrans-90.613.3177.163.20000112.8F191 G192 K196F191-S194 CarbonylContact O-C 3.52Å; F191-S194 WeakPolarHBondContact O-CA 3.48Å; F191-S194 PolarHBondContact O-N 3.44Å; F191-S194 PolarHBondContact O-OG 3.34Å; G192-S194 VanDerWaalsContact C-N 3.27Å; G192-S194 PolarHBondContact O-N 3.3Å; S194-K196 PolarHBondContact O-N 3.18Å
195C89.5Confident87.9Confident23 Ų2372.6 Ų72.616%0.15539%0.392CS..  trans-64.8133.5174.7-165.10000110.6F191 G192 K193 R197 H199F191-C195 HydrophobicContact CB-CB 3.82Å; F191-C195 PolarHBondContact O-N 2.73Å; G192-C195 WeakPolarHBondContact O-CB 3.27Å; G192-C195 PolarHBondContact O-N 3.23Å; K193-C195 VanDerWaalsContact C-N 3.28Å; C195-R197 PolarHBondContact O-N 3.45Å; C195-R197 VanDerWaalsContact O-N 3.15Å; C195-R197 PolarHBondContact SG-N 3.25Å; C195-H199 VanDerWaalsContact CB-NE2 3.27Å; C195-H199 WeakPolarHBondContact CB-NE2 3.45Å
196K88.3Confident87.7Confident176 Ų17672.2 Ų72.277%0.76539%0.39SS*.SBendtrans-65.6-12.8173.1-62.1-176.2-179.4-179.10112.9S194S194-K196 PolarHBondContact O-N 3.18Å
197R91.9Very high87.7Confident30 Ų3073 Ų7311%0.11339%0.394CS..SBendtrans-105.7141.5-179.1-57.5-56178.8-177.43110Y159 K161 G162 C181 C195 H199Y159-R197 HydrophobicContact CE1-CB 4.01Å; Y159-R197 HydrophobicContact CE1-CG 4.38Å; Y159-R197 WeakPolarHBondContact O-CD 3.33Å; Y159-R197 PolarHBondContact O-NE 3.38Å; Y159-R197 PolarHBondContact O-NH1 2.9Å; Y159-R197 PolarHBondContact O-NH2 3.4Å; Y159-R197 WeakPolarHBondContact OH-CA 3.44Å; K161-R197 PolarHBondContact O-NH2 3.28Å; G162-R197 PolarHBondContact O-NH2 3.22Å; C181-R197 HydrophobicContact CB-CB 3.46Å; C181-R197 VanDerWaalsContact CB-CB 3.46Å; C181-R197 HydrophobicContact CB-CG 4.45Å; C195-R197 PolarHBondContact O-N 3.45Å; C195-R197 VanDerWaalsContact O-N 3.15Å; C195-R197 PolarHBondContact SG-N 3.25Å; R197-H199 PolarHBondContact O-CD2 2.98Å; R197-H199 VanDerWaalsContact O-CD2 3.27Å; R197-H199 PolarHBondContact O-N 3.03Å
198S91.4Very high87.8Confident25 Ų2575.5 Ų75.518%0.17539%0.393CS..  trans-60.8132.4-179.3-1740000111.2Y159 H179 I180 C181 D200 N203Y159-S198 PolarHBondContact OH-N 3.28Å; H179-S198 WeakPolarHBondContact O-CB 3.43Å; I180-S198 CarbonylContact C-O 3.1Å; I180-S198 WeakPolarHBondContact CA-O 3.5Å; C181-S198 WeakPolarHBondContact CB-O 3.41Å; C181-S198 PolarHBondContact N-O 3.39Å; S198-D200 PolarHBondContact OG-N 3.46Å; S198-D200 VanDerWaalsContact OG-N 3.12Å; S198-D200 PolarHBondContact OG-O 3.37Å; S198-N203 PolarHBondContact OG-ND2 3.14Å
199H92.6Very high88Confident44 Ų4471.7 Ų71.720%0.20438%0.375CS..  trans-102.83.6167.7-67.1-175.6000111.6C181 F184 C189 G192 C195 R197C181-H199 WeakPolarHBondContact CB-CD2 3.29Å; F184-H199 VanDerWaalsContact CB-CD2 3.44Å; F184-H199 WeakPolarHBondContact CB-CD2 3.38Å; F184-H199 WeakPolarHBondContact CB-NE2 3.37Å; F184-H199 HydrophobicContact CD1-CB 3.91Å; F184-H199 HydrophobicContact CD2-CB 3.91Å; F184-H199 AromaticContact CD2-CE1 3.91Å; F184-H199 AromaticContact CD2-CG 3.56Å; F184-H199 AromaticContact CD2-ND1 3.43Å; F184-H199 WeakPolarHBondContact CD2-ND1 3.33Å; F184-H199 HydrophobicContact CE1-CB 3.97Å; F184-H199 WeakPolarHBondContact CE1-O 3.49Å; F184-H199 HydrophobicContact CE2-CB 3.97Å; F184-H199 HydrophobicContact CG-CB 3.87Å; F184-H199 AromaticContact CG-CD2 3.67Å; F184-H199 AromaticContact CG-CG 3.5Å; F184-H199 AromaticContact CG-ND1 3.8Å; F184-H199 HydrophobicContact CZ-CB 4Å; F184-H199 WeakPolarHBondContact CZ-O 3.25Å; C189-H199 PolarHBondContact SG-CE1 2.95Å; C189-H199 PolarHBondContact SG-NE2 3.22Å; G192-H199 PolarHBondContact O-CE1 2.89Å; G192-H199 PolarHBondContact O-ND1 2.79Å; C195-H199 VanDerWaalsContact CB-NE2 3.27Å; C195-H199 WeakPolarHBondContact CB-NE2 3.45Å; R197-H199 PolarHBondContact O-CD2 2.98Å; R197-H199 VanDerWaalsContact O-CD2 3.27Å; R197-H199 PolarHBondContact O-N 3.03Å
200D90.5Very high88.1Confident77 Ų7770.5 Ų70.541%0.41237%0.367SS..  trans-110.4117-173.5-177.120.3000111.5I180 S198 S202 N203I180-D200 WeakPolarHBondContact CD1-O 3.47Å; S198-D200 PolarHBondContact OG-N 3.46Å; S198-D200 VanDerWaalsContact OG-N 3.12Å; S198-D200 PolarHBondContact OG-O 3.37Å; D200-S202 VanDerWaalsContact C-N 3.27Å; D200-S202 WeakPolarHBondContact OD1-CA 3.45Å; D200-S202 VanDerWaalsContact OD1-CB 3.25Å; D200-S202 WeakPolarHBondContact OD1-CB 3.45Å; D200-S202 PolarHBondContact OD1-N 3.29Å; D200-S202 PolarHBondContact OD1-OG 2.94Å; D200-N203 PolarHBondContact O-ND2 3.42Å; D200-N203 PolarHBondContact OD2-N 2.89Å
201F89.9Confident88.1Confident5 Ų567.4 Ų67.42%0.02236%0.355CS..THydrogen-bonded Turntrans-75.2-18.8173.2-78.9-98.4000112.8L178 I180 L185 N203 L210 V220 L223 P224 Y227L178-F201 HydrophobicContact CD1-CD1 4.07Å; L178-F201 HydrophobicContact CD1-CE1 3.69Å; I180-F201 HydrophobicContact CD1-CD2 4.22Å; I180-F201 HydrophobicContact CD1-CG 4.26Å; I180-F201 HydrophobicContact CG1-CD1 4.33Å; I180-F201 HydrophobicContact CG1-CD2 4.49Å; I180-F201 HydrophobicContact CG1-CE1 4.21Å; I180-F201 HydrophobicContact CG1-CE2 4.39Å; I180-F201 HydrophobicContact CG1-CG 4.48Å; I180-F201 HydrophobicContact CG1-CZ 4.25Å; I180-F201 HydrophobicContact CG2-CE2 4.09Å; I180-F201 HydrophobicContact CG2-CZ 4.25Å; L185-F201 HydrophobicContact CD1-CZ 4.42Å; L185-F201 HydrophobicContact CD2-CE2 3.45Å; L185-F201 VanDerWaalsContact CD2-CE2 3.45Å; L185-F201 HydrophobicContact CD2-CZ 3.46Å; L185-F201 VanDerWaalsContact CD2-CZ 3.46Å; F201-N203 VanDerWaalsContact C-N 3.32Å; F201-L210 HydrophobicContact CB-CD1 4.39Å; F201-L210 HydrophobicContact CD1-CD1 4.07Å; F201-V220 HydrophobicContact CB-CG1 4.02Å; F201-L223 HydrophobicContact CD1-CB 4.06Å; F201-L223 HydrophobicContact CD1-CD1 3.67Å; F201-L223 HydrophobicContact CE1-CB 3.88Å; F201-L223 HydrophobicContact CE1-CD1 3.85Å; F201-L223 HydrophobicContact CE1-CG 4.5Å; F201-L223 HydrophobicContact CE2-CB 4.42Å; F201-L223 HydrophobicContact CG-CB 4.41Å; F201-L223 HydrophobicContact CZ-CB 4.06Å; F201-P224 HydrophobicContact CD2-CG 3.77Å; F201-P224 HydrophobicContact CE2-CB 4.44Å; F201-P224 HydrophobicContact CE2-CG 3.85Å; F201-Y227 HydrophobicContact CE1-CD2 4.29Å; F201-Y227 AromaticContact CE1-CE2 3.82Å; F201-Y227 HydrophobicContact CE1-CE2 3.82Å; F201-Y227 AromaticContact CZ-CD2 3.79Å; F201-Y227 HydrophobicContact CZ-CD2 3.79Å; F201-Y227 AromaticContact CZ-CE2 3.77Å; F201-Y227 HydrophobicContact CZ-CE2 3.77Å
202S86.4Confident88.1Confident68 Ų6868.2 Ų68.248%0.47636%0.358SS..THydrogen-bonded Turntrans-89.2-0.6-176.8-36.10000112.6D200D200-S202 VanDerWaalsContact C-N 3.27Å; D200-S202 WeakPolarHBondContact OD1-CA 3.45Å; D200-S202 VanDerWaalsContact OD1-CB 3.25Å; D200-S202 WeakPolarHBondContact OD1-CB 3.45Å; D200-S202 PolarHBondContact OD1-N 3.29Å; D200-S202 PolarHBondContact OD1-OG 2.94Å
203N87.9Confident88.1Confident40 Ų4069.7 Ų69.721%0.21436%0.357CS..SBendtrans-60.6148.6173.377.122.4000109.9S198 D200 F201 E205 N206 L207S198-N203 PolarHBondContact OG-ND2 3.14Å; D200-N203 PolarHBondContact O-ND2 3.42Å; D200-N203 PolarHBondContact OD2-N 2.89Å; F201-N203 VanDerWaalsContact C-N 3.32Å; N203-E205 PolarHBondContact O-N 3.18Å; N203-E205 VanDerWaalsContact O-N 3.12Å; N203-N206 PolarHBondContact ND2-ND2 3.41Å; N203-N206 VanDerWaalsContact ND2-ND2 3.13Å; N203-N206 PolarHBondContact O-N 3.47Å; N203-N206 VanDerWaalsContact O-N 3.11Å; N203-N206 WeakPolarHBondContact OD1-CB 3.46Å; N203-N206 VanDerWaalsContact OD1-CG 3.24Å; N203-N206 PolarHBondContact OD1-N 2.71Å; N203-N206 PolarHBondContact OD1-ND2 2.87Å; N203-L207 VanDerWaalsContact O-CB 3.3Å; N203-L207 WeakPolarHBondContact O-CB 3.42Å; N203-L207 PolarHBondContact O-N 3.49Å
204S84.2Confident88.2Confident103 Ų10360.3 Ų60.372%0.7232%0.322SS*.Hα-helixtrans-54.9-37.6-17152.50000113.4E208S204-E208 WeakPolarHBondContact O-CB 3.21Å; S204-E208 PolarHBondContact O-N 3.3Å
205E84.5Confident88.3Confident34 Ų3456.1 Ų56.116%0.15929%0.291CS..Hα-helixtrans-66.8-44.3179.2-170.4-170153.500113H166 H179 N203 K209H166-E205 IonicContact CE1-OE2 3.31Å; H166-E205 PolarHBondContact CE1-OE2 2.79Å; H166-E205 IonicContact ND1-OE2 3.62Å; H179-E205 IonicContact CE1-OE1 2.95Å; H179-E205 IonicContact CG-OE1 3.9Å; H179-E205 IonicContact ND1-OE1 3.54Å; H179-E205 PolarHBondContact ND1-OE1 2.91Å; H179-E205 IonicContact ND1-OE2 2.94Å; N203-E205 PolarHBondContact O-N 3.18Å; N203-E205 VanDerWaalsContact O-N 3.12Å; E205-K209 WeakPolarHBondContact O-CD 3.5Å; E205-K209 VanDerWaalsContact O-CE 3.32Å; E205-K209 WeakPolarHBondContact O-CE 3.46Å; E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.42Å; E205-K209 IonicContact OE1-NZ 3.25Å; E205-K209 PolarHBondContact OE1-NZ 3.21Å
206N88.4Confident88.2Confident0 Ų057 Ų570%030%0.298CS..Hα-helixtrans-80.2-37.9-178.5-69.1-43.1000111.2L178 H179 I180 N203 E208 K209 L210L178-N206 HydrophobicContact CD2-CB 4.21Å; H179-N206 PolarHBondContact N-OD1 3.32Å; H179-N206 PolarHBondContact O-ND2 2.69Å; I180-N206 WeakPolarHBondContact CD1-ND2 3.41Å; N203-N206 PolarHBondContact ND2-ND2 3.41Å; N203-N206 VanDerWaalsContact ND2-ND2 3.13Å; N203-N206 PolarHBondContact O-N 3.47Å; N203-N206 VanDerWaalsContact O-N 3.11Å; N203-N206 WeakPolarHBondContact OD1-CB 3.46Å; N203-N206 VanDerWaalsContact OD1-CG 3.24Å; N203-N206 PolarHBondContact OD1-N 2.71Å; N203-N206 PolarHBondContact OD1-ND2 2.87Å; N206-E208 PolarHBondContact O-N 3.17Å; N206-K209 PolarHBondContact O-N 3.18Å; N206-L210 WeakPolarHBondContact O-CD1 3.35Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.91Å
207L88.6Confident88.2Confident50 Ų5053.5 Ų53.526%0.26230%0.296SS..Hα-helixtrans-61.2-45.6179.7-174.461.2000111.1N203 K209 L210 E211 V220N203-L207 VanDerWaalsContact O-CB 3.3Å; N203-L207 WeakPolarHBondContact O-CB 3.42Å; N203-L207 PolarHBondContact O-N 3.49Å; L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 3.28Å; L207-L210 PolarHBondContact O-N 2.71Å; L207-L210 VanDerWaalsContact O-N 3.12Å; L207-E211 HydrophobicContact CD1-CG 4.25Å; L207-E211 HydrophobicContact CG-CG 4.35Å; L207-E211 WeakPolarHBondContact O-CB 3.43Å; L207-E211 WeakPolarHBondContact O-CG 3.45Å; L207-E211 PolarHBondContact O-N 3.32Å; L207-V220 HydrophobicContact CD1-CG1 4.45Å
208E87.4Confident88Confident103 Ų10356.6 Ų56.648%0.48131%0.314SS..Hα-helixtrans-59-39.9177.2-169.3-169.2163.500111.8S204 N206 K212S204-E208 WeakPolarHBondContact O-CB 3.21Å; S204-E208 PolarHBondContact O-N 3.3Å; N206-E208 PolarHBondContact O-N 3.17Å; E208-K212 HydrophobicContact CG-CD 4.47Å; E208-K212 WeakPolarHBondContact O-CB 3.32Å; E208-K212 VanDerWaalsContact O-CG 3.25Å; E208-K212 WeakPolarHBondContact O-CG 3.3Å; E208-K212 PolarHBondContact O-N 3.41Å; E208-K212 VanDerWaalsContact OE1-CE 3.23Å; E208-K212 WeakPolarHBondContact OE1-CE 3.32Å; E208-K212 IonicContact OE1-NZ 3.8Å; E208-K212 PolarHBondContact OE1-NZ 2.78Å
209K90.4Very high87.9Confident28 Ų2855.5 Ų55.512%0.12231%0.306CS..Hα-helixtrans-66.4-41.6177-65169.4-163.8177.90111.4C175 K177 L178 E205 N206 L207 L213C175-K209 WeakPolarHBondContact O-CE 3.34Å; C175-K209 PolarHBondContact O-NZ 3.35Å; K177-K209 PolarHBondContact O-NZ 3.26Å; L178-K209 HydrophobicContact CD2-CB 4.25Å; L178-K209 HydrophobicContact CD2-CD 4.42Å; E205-K209 WeakPolarHBondContact O-CD 3.5Å; E205-K209 VanDerWaalsContact O-CE 3.32Å; E205-K209 WeakPolarHBondContact O-CE 3.46Å; E205-K209 VanDerWaalsContact O-CG 3.31Å; E205-K209 WeakPolarHBondContact O-CG 3.42Å; E205-K209 IonicContact OE1-NZ 3.25Å; E205-K209 PolarHBondContact OE1-NZ 3.21Å; N206-K209 PolarHBondContact O-N 3.18Å; L207-K209 VanDerWaalsContact C-N 3.28Å; L207-K209 PolarHBondContact O-N 3.28Å; K209-L213 WeakPolarHBondContact O-CG 3.47Å; K209-L213 PolarHBondContact O-N 3.05Å; K209-L213 VanDerWaalsContact O-N 3.15Å
210L90.6Very high87.9Confident0 Ų053.6 Ų53.60%030%0.298CS..Hα-helixtrans-70.2-39.8-179.4-67.5165.4000111.9P153 L178 F201 N206 L207 L213 G214 M215 V220 L223P153-L210 HydrophobicContact CB-CD2 4.46Å; P153-L210 HydrophobicContact CG-CD2 3.83Å; L178-L210 HydrophobicContact CD1-CD2 4.04Å; L178-L210 HydrophobicContact CD2-CD2 4.12Å; L178-L210 HydrophobicContact CD2-CG 4.07Å; F201-L210 HydrophobicContact CB-CD1 4.39Å; F201-L210 HydrophobicContact CD1-CD1 4.07Å; N206-L210 WeakPolarHBondContact O-CD1 3.35Å; N206-L210 WeakPolarHBondContact O-CG 3.48Å; N206-L210 PolarHBondContact O-N 2.91Å; L207-L210 PolarHBondContact O-N 2.71Å; L207-L210 VanDerWaalsContact O-N 3.12Å; L210-L213 WeakPolarHBondContact O-CB 3.19Å; L210-L213 PolarHBondContact O-N 3.01Å; L210-G214 PolarHBondContact O-N 2.88Å; L210-M215 HydrophobicContact CB-CB 4.48Å; L210-M215 HydrophobicContact CD2-SD 3.58Å; L210-M215 VanDerWaalsContact CD2-SD 3.58Å; L210-M215 WeakPolarHBondContact O-CB 3.42Å; L210-M215 PolarHBondContact O-N 3.3Å; L210-V220 HydrophobicContact CB-CG2 4.01Å; L210-V220 HydrophobicContact CD1-CG1 3.89Å; L210-V220 HydrophobicContact CD1-CG2 4.02Å; L210-L223 HydrophobicContact CD1-CD1 4.11Å; L210-L223 HydrophobicContact CD2-CD1 3.84Å
211E86.9Confident87.9Confident120 Ų12053.7 Ų53.756%0.56131%0.305SS*.Hα-helixtrans-65.7-41.6174-72.9-180168.800111.7L207 L213 G214L207-E211 HydrophobicContact CD1-CG 4.25Å; L207-E211 HydrophobicContact CG-CG 4.35Å; L207-E211 WeakPolarHBondContact O-CB 3.43Å; L207-E211 WeakPolarHBondContact O-CG 3.45Å; L207-E211 PolarHBondContact O-N 3.32Å; E211-L213 PolarHBondContact O-N 3.05Å; E211-G214 WeakPolarHBondContact O-CA 3.45Å; E211-G214 PolarHBondContact O-N 2.98Å
212K85.7Confident88Confident154 Ų15456.7 Ų56.767%0.6732%0.316SS*.Hα-helixtrans-59.8-31.5172.5-79175.1-175.1170.30112.7E208 G214E208-K212 HydrophobicContact CG-CD 4.47Å; E208-K212 WeakPolarHBondContact O-CB 3.32Å; E208-K212 VanDerWaalsContact O-CG 3.25Å; E208-K212 WeakPolarHBondContact O-CG 3.3Å; E208-K212 PolarHBondContact O-N 3.41Å; E208-K212 VanDerWaalsContact OE1-CE 3.23Å; E208-K212 WeakPolarHBondContact OE1-CE 3.32Å; E208-K212 IonicContact OE1-NZ 3.8Å; E208-K212 PolarHBondContact OE1-NZ 2.78Å; K212-G214 VanDerWaalsContact C-N 3.25Å
213L85Confident88.4Confident69 Ų6953.5 Ų53.536%0.36129%0.293SS..Hα-helixtrans-74.5-16.4172.7-70.5173.2000112.8Y100 P153 K209 L210 E211Y100-L213 HydrophobicContact CD2-CB 4.4Å; Y100-L213 WeakPolarHBondContact CD2-O 3.46Å; Y100-L213 HydrophobicContact CE2-CB 4.13Å; P153-L213 HydrophobicContact CB-CD1 4.33Å; P153-L213 HydrophobicContact CG-CD1 4.14Å; K209-L213 WeakPolarHBondContact O-CG 3.47Å; K209-L213 PolarHBondContact O-N 3.05Å; K209-L213 VanDerWaalsContact O-N 3.15Å; L210-L213 WeakPolarHBondContact O-CB 3.19Å; L210-L213 PolarHBondContact O-N 3.01Å; E211-L213 PolarHBondContact O-N 3.05Å
214G85.1Confident88.6Confident19 Ų1953.1 Ų53.120%0.19629%0.293CS..THydrogen-bonded Turntrans89.823.4-178.900000113.9L210 E211 K212L210-G214 PolarHBondContact O-N 2.88Å; E211-G214 WeakPolarHBondContact O-CA 3.45Å; E211-G214 PolarHBondContact O-N 2.98Å; K212-G214 VanDerWaalsContact C-N 3.25Å
215M89.9Confident89Confident11 Ų1150.6 Ų50.65%0.05428%0.275CS..  trans-78.5134.5177-65.1-166.8163.700111.4Y100 F145 P153 L210 L219 V220 L223Y100-M215 HydrophobicContact CD1-CE 3.89Å; Y100-M215 HydrophobicContact CD2-CE 4.01Å; Y100-M215 HydrophobicContact CD2-CG 3.95Å; Y100-M215 HydrophobicContact CE1-CE 3.58Å; Y100-M215 HydrophobicContact CE2-CE 3.71Å; Y100-M215 HydrophobicContact CE2-CG 4.42Å; Y100-M215 HydrophobicContact CG-CE 4.08Å; Y100-M215 HydrophobicContact CG-CG 4.07Å; Y100-M215 VanDerWaalsContact CZ-CE 3.44Å; F145-M215 HydrophobicContact CE1-CE 4.47Å; P153-M215 HydrophobicContact CG-CE 3.52Å; P153-M215 HydrophobicContact CG-SD 4.03Å; L210-M215 HydrophobicContact CB-CB 4.48Å; L210-M215 HydrophobicContact CD2-SD 3.58Å; L210-M215 VanDerWaalsContact CD2-SD 3.58Å; L210-M215 WeakPolarHBondContact O-CB 3.42Å; L210-M215 PolarHBondContact O-N 3.3Å; M215-L219 HydrophobicContact CB-CD2 4.14Å; M215-L219 HydrophobicContact CE-CD2 4.4Å; M215-L219 HydrophobicContact CG-CD2 3.98Å; M215-L219 HydrophobicContact SD-CD2 4.15Å; M215-V220 HydrophobicContact CB-CG2 4.06Å; M215-L223 HydrophobicContact SD-CD1 4.23Å
216S87.1Confident89.6Confident41 Ų4149 Ų4929%0.28727%0.268SS..  trans-71153.6172.865.80000112Y100 D218 L219 V220Y100-S216 PolarHBondContact O-N 3.49Å; S216-D218 VanDerWaalsContact C-N 3.27Å; S216-D218 PolarHBondContact O-N 3.27Å; S216-L219 WeakPolarHBondContact O-CB 3.15Å; S216-L219 PolarHBondContact O-N 3.22Å; S216-L219 VanDerWaalsContact O-N 3.09Å; S216-L219 WeakPolarHBondContact OG-CB 3.38Å; S216-L219 PolarHBondContact OG-N 2.93Å; S216-V220 WeakPolarHBondContact O-CG2 3.37Å; S216-V220 PolarHBondContact O-N 3.17Å
217S87.6Confident89.9Confident103 Ų10350.1 Ų50.172%0.7227%0.272SS*.Hα-helixtrans-57.5-39.7176.4179.80000112.3L219 V220 S221S217-L219 PolarHBondContact O-N 3.47Å; S217-V220 PolarHBondContact O-N 3.27Å; S217-S221 PolarHBondContact O-N 2.95Å
218D87.6Confident90.1Very high94 Ų9451.5 Ų51.550%0.50327%0.274SS..Hα-helixtrans-56.6-47.9173.1175.380.2000111.8S216 V220 S221 R222S216-D218 VanDerWaalsContact C-N 3.27Å; S216-D218 PolarHBondContact O-N 3.27Å; D218-V220 PolarHBondContact O-N 2.96Å; D218-S221 PolarHBondContact O-N 3.04Å; D218-S221 PolarHBondContact O-OG 2.81Å; D218-R222 PolarHBondContact O-N 3.38Å; D218-R222 IonicContact OD2-CZ 2.64Å; D218-R222 VanDerWaalsContact OD2-CZ 3.28Å; D218-R222 IonicContact OD2-NE 2.76Å; D218-R222 PolarHBondContact OD2-NE 3.22Å; D218-R222 IonicContact OD2-NH2 2.75Å; D218-R222 PolarHBondContact OD2-NH2 2.95Å
219L89.8Confident90.5Very high2 Ų246.7 Ų46.71%0.0125%0.251CS..Hα-helixtrans-63.5-42.5177.8176.761.3000111.8F145 M215 S216 S217 S221 R222 L223 I226F145-L219 HydrophobicContact CD2-CD1 3.96Å; F145-L219 HydrophobicContact CE1-CD1 4.35Å; F145-L219 HydrophobicContact CE1-CD2 4.14Å; F145-L219 HydrophobicContact CE2-CD1 3.54Å; F145-L219 HydrophobicContact CE2-CD2 3.9Å; F145-L219 HydrophobicContact CE2-CG 4.39Å; F145-L219 HydrophobicContact CZ-CD1 3.76Å; F145-L219 HydrophobicContact CZ-CD2 3.39Å; F145-L219 HydrophobicContact CZ-CG 4.22Å; M215-L219 HydrophobicContact CB-CD2 4.14Å; M215-L219 HydrophobicContact CE-CD2 4.4Å; M215-L219 HydrophobicContact CG-CD2 3.98Å; M215-L219 HydrophobicContact SD-CD2 4.15Å; S216-L219 WeakPolarHBondContact O-CB 3.15Å; S216-L219 PolarHBondContact O-N 3.22Å; S216-L219 VanDerWaalsContact O-N 3.09Å; S216-L219 WeakPolarHBondContact OG-CB 3.38Å; S216-L219 PolarHBondContact OG-N 2.93Å; S217-L219 PolarHBondContact O-N 3.47Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 3.29Å; L219-R222 PolarHBondContact O-N 3.05Å; L219-L223 PolarHBondContact O-N 3.41Å; L219-L223 VanDerWaalsContact O-N 3.13Å; L219-I226 HydrophobicContact CD1-CD1 3.98Å
220V91.8Very high90.7Very high5 Ų546.3 Ų46.33%0.0325%0.254CS..Hα-helixtrans-58.5-42.4178173.40000110.9F201 L207 L210 M215 S216 S217 D218 R222 L223F201-V220 HydrophobicContact CB-CG1 4.02Å; L207-V220 HydrophobicContact CD1-CG1 4.45Å; L210-V220 HydrophobicContact CB-CG2 4.01Å; L210-V220 HydrophobicContact CD1-CG1 3.89Å; L210-V220 HydrophobicContact CD1-CG2 4.02Å; M215-V220 HydrophobicContact CB-CG2 4.06Å; S216-V220 WeakPolarHBondContact O-CG2 3.37Å; S216-V220 PolarHBondContact O-N 3.17Å; S217-V220 PolarHBondContact O-N 3.27Å; D218-V220 PolarHBondContact O-N 2.96Å; V220-R222 PolarHBondContact O-N 3.31Å; V220-L223 WeakPolarHBondContact O-CB 3.42Å; V220-L223 PolarHBondContact O-N 3.03Å
221S91.4Very high90.8Very high79 Ų7947.8 Ų47.855%0.55226%0.261SS*.Hα-helixtrans-62.2-28.9177.280.90000113.3S217 D218 L219 P224S217-S221 PolarHBondContact O-N 2.95Å; D218-S221 PolarHBondContact O-N 3.04Å; D218-S221 PolarHBondContact O-OG 2.81Å; L219-S221 VanDerWaalsContact C-N 3.28Å; L219-S221 PolarHBondContact O-N 3.29Å; S221-P224 WeakPolarHBondContact O-CD 3.27Å
222R92.3Very high91.1Very high68 Ų6843 Ų4326%0.25724%0.239SC..Hα-helixtrans-89.2-10.7179.5-66.3-171.4-72.8142.9-10114Q142 D218 L219 V220 P224 S225 I226Q142-R222 VanDerWaalsContact OE1-NH1 3.07Å; D218-R222 PolarHBondContact O-N 3.38Å; D218-R222 IonicContact OD2-CZ 2.64Å; D218-R222 VanDerWaalsContact OD2-CZ 3.28Å; D218-R222 IonicContact OD2-NE 2.76Å; D218-R222 PolarHBondContact OD2-NE 3.22Å; D218-R222 IonicContact OD2-NH2 2.75Å; D218-R222 PolarHBondContact OD2-NH2 2.95Å; L219-R222 PolarHBondContact O-N 3.05Å; V220-R222 PolarHBondContact O-N 3.31Å; R222-P224 VanDerWaalsContact C-CD 3.48Å; R222-S225 PolarHBondContact O-N 3.13Å; R222-S225 PolarHBondContact O-OG 3.06Å; R222-I226 HydrophobicContact CB-CD1 4Å; R222-I226 WeakPolarHBondContact O-CD1 3.36Å; R222-I226 VanDerWaalsContact O-CG1 3.27Å; R222-I226 WeakPolarHBondContact O-CG1 3.44Å; R222-I226 PolarHBondContact O-N 3.37Å; R222-I226 VanDerWaalsContact O-N 3.11Å
223L93.8Very high91.4Very high0 Ų036.4 Ų36.40%021%0.211CC..Hα-helixtrans-55.6-44.2-178.8-73.3176.1000113.8F201 L210 M215 L219 V220 S225 I226 Y227F201-L223 HydrophobicContact CD1-CB 4.06Å; F201-L223 HydrophobicContact CD1-CD1 3.67Å; F201-L223 HydrophobicContact CE1-CB 3.88Å; F201-L223 HydrophobicContact CE1-CD1 3.85Å; F201-L223 HydrophobicContact CE1-CG 4.5Å; F201-L223 HydrophobicContact CE2-CB 4.42Å; F201-L223 HydrophobicContact CG-CB 4.41Å; F201-L223 HydrophobicContact CZ-CB 4.06Å; L210-L223 HydrophobicContact CD1-CD1 4.11Å; L210-L223 HydrophobicContact CD2-CD1 3.84Å; M215-L223 HydrophobicContact SD-CD1 4.23Å; L219-L223 PolarHBondContact O-N 3.41Å; L219-L223 VanDerWaalsContact O-N 3.13Å; V220-L223 WeakPolarHBondContact O-CB 3.42Å; V220-L223 PolarHBondContact O-N 3.03Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 3.14Å; L223-I226 PolarHBondContact O-N 3.12Å; L223-I226 VanDerWaalsContact O-N 3.12Å; L223-Y227 HydrophobicContact CB-CD2 4.27Å; L223-Y227 HydrophobicContact CB-CE2 4.26Å; L223-Y227 HydrophobicContact CD2-CE2 4.18Å; L223-Y227 VanDerWaalsContact O-CD2 3.27Å; L223-Y227 WeakPolarHBondContact O-CD2 3.37Å; L223-Y227 PolarHBondContact O-N 3.26Å
224P93.3Very high91.6Very high33 Ų3340.5 Ų40.521%0.21423%0.226CC..Hα-helixtrans-55.2-44.7-179.3-26.134.1000113.5F184 F201 S221 R222 R228F184-P224 HydrophobicContact CE1-CB 4.3Å; F184-P224 HydrophobicContact CZ-CB 4.3Å; F201-P224 HydrophobicContact CD2-CG 3.77Å; F201-P224 HydrophobicContact CE2-CB 4.44Å; F201-P224 HydrophobicContact CE2-CG 3.85Å; S221-P224 WeakPolarHBondContact O-CD 3.27Å; R222-P224 VanDerWaalsContact C-CD 3.48Å; P224-R228 PolarHBondContact O-N 2.81Å
225S92.8Very high91.5Very high49 Ų4943.1 Ų43.134%0.34324%0.235SC..Hα-helixtrans-71.4-37.3177.752.30000111.9R222 L223 R228 N229R222-S225 PolarHBondContact O-N 3.13Å; R222-S225 PolarHBondContact O-OG 3.06Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 3.14Å; S225-R228 PolarHBondContact O-N 3.29Å; S225-N229 WeakPolarHBondContact O-CB 3.27Å; S225-N229 PolarHBondContact O-N 3.07Å; S225-N229 PolarHBondContact O-OD1 2.88Å
226I95.3Very high90.6Very high0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-61.9-47.7176.9-69.9167.5000111.4F145 L152 L219 R222 L223 R228 N229 A230F145-I226 HydrophobicContact CB-CD1 4.23Å; F145-I226 HydrophobicContact CB-CG2 3.76Å; F145-I226 HydrophobicContact CG-CD1 4.46Å; L152-I226 HydrophobicContact CD2-CG2 3.55Å; L219-I226 HydrophobicContact CD1-CD1 3.98Å; R222-I226 HydrophobicContact CB-CD1 4Å; R222-I226 WeakPolarHBondContact O-CD1 3.36Å; R222-I226 VanDerWaalsContact O-CG1 3.27Å; R222-I226 WeakPolarHBondContact O-CG1 3.44Å; R222-I226 PolarHBondContact O-N 3.37Å; R222-I226 VanDerWaalsContact O-N 3.11Å; L223-I226 PolarHBondContact O-N 3.12Å; L223-I226 VanDerWaalsContact O-N 3.12Å; I226-R228 VanDerWaalsContact C-N 3.31Å; I226-R228 PolarHBondContact O-N 3.2Å; I226-N229 PolarHBondContact O-N 3.25Å; I226-A230 WeakPolarHBondContact O-CB 3.37Å; I226-A230 PolarHBondContact O-N 2.9Å
227Y95.5Very high89.2Confident25 Ų2549.8 Ų49.810%0.09827%0.27CS..Hα-helixtrans-62.2-40.5177.3-85.2-83.2000111.7L152 P153 I155 L185 F201 L223 A230 H231L152-Y227 HydrophobicContact CB-CE1 3.96Å; L152-Y227 HydrophobicContact CD1-CD1 4.02Å; L152-Y227 HydrophobicContact CD1-CE1 4.04Å; L152-Y227 HydrophobicContact CD2-CE2 4.45Å; L152-Y227 HydrophobicContact CG-CE1 4.45Å; P153-Y227 WeakPolarHBondContact CD-OH 3.28Å; P153-Y227 PolarHBondContact O-OH 2.62Å; I155-Y227 HydrophobicContact CD1-CE1 3.99Å; I155-Y227 HydrophobicContact CG1-CE1 3.99Å; L185-Y227 HydrophobicContact CD1-CD1 4.14Å; L185-Y227 HydrophobicContact CD1-CG 4.16Å; L185-Y227 HydrophobicContact CD2-CD2 4.26Å; L185-Y227 HydrophobicContact CD2-CG 4.22Å; F201-Y227 HydrophobicContact CE1-CD2 4.29Å; F201-Y227 AromaticContact CE1-CE2 3.82Å; F201-Y227 HydrophobicContact CE1-CE2 3.82Å; F201-Y227 AromaticContact CZ-CD2 3.79Å; F201-Y227 HydrophobicContact CZ-CD2 3.79Å; F201-Y227 AromaticContact CZ-CE2 3.77Å; F201-Y227 HydrophobicContact CZ-CE2 3.77Å; L223-Y227 HydrophobicContact CB-CD2 4.27Å; L223-Y227 HydrophobicContact CB-CE2 4.26Å; L223-Y227 HydrophobicContact CD2-CE2 4.18Å; L223-Y227 VanDerWaalsContact O-CD2 3.27Å; L223-Y227 WeakPolarHBondContact O-CD2 3.37Å; L223-Y227 PolarHBondContact O-N 3.26Å; Y227-A230 PolarHBondContact O-N 2.92Å; Y227-H231 WeakPolarHBondContact O-CB 3.31Å; Y227-H231 PolarHBondContact O-N 2.82Å
228R93.3Very high86.9Confident79 Ų7949.3 Ų49.330%0.29827%0.266SS..Hα-helixtrans-62.4-46.1176-168.5-179-62.7172.31.1111.4L185 P224 S225 I226 A230 H231 D232L185-R228 WeakPolarHBondContact O-CA 3.39Å; L185-R228 WeakPolarHBondContact O-CB 3.42Å; L185-R228 PolarHBondContact O-N 3.31Å; P224-R228 PolarHBondContact O-N 2.81Å; S225-R228 PolarHBondContact O-N 3.29Å; I226-R228 VanDerWaalsContact C-N 3.31Å; I226-R228 PolarHBondContact O-N 3.2Å; R228-A230 PolarHBondContact O-N 2.79Å; R228-H231 WeakPolarHBondContact O-CB 3.39Å; R228-H231 PolarHBondContact O-N 3.35Å; R228-D232 PolarHBondContact O-N 3.37Å
229N95.2Very high84.4Confident1 Ų147.5 Ų47.51%0.00526%0.264CS..Hα-helixtrans-59.9-45.9176.1-68.3-5.3000111.4G18 A20 R54 L67 Q146 S225 I226 H231 D232 I233G18-N229 PolarHBondContact O-ND2 3.4Å; A20-N229 WeakPolarHBondContact CB-OD1 3.25Å; R54-N229 PolarHBondContact NH2-OD1 3.33Å; L67-N229 VanDerWaalsContact CD2-CA 3.47Å; L67-N229 HydrophobicContact CD2-CB 3.66Å; Q146-N229 HydrophobicContact CB-CB 3.9Å; Q146-N229 PolarHBondContact OE1-ND2 2.9Å; S225-N229 WeakPolarHBondContact O-CB 3.27Å; S225-N229 PolarHBondContact O-N 3.07Å; S225-N229 PolarHBondContact O-OD1 2.88Å; I226-N229 PolarHBondContact O-N 3.25Å; N229-H231 VanDerWaalsContact C-N 3.31Å; N229-H231 PolarHBondContact O-N 3.05Å; N229-D232 PolarHBondContact O-N 3.29Å; N229-I233 WeakPolarHBondContact O-CB 3.16Å; N229-I233 WeakPolarHBondContact O-CD1 3.41Å; N229-I233 VanDerWaalsContact O-CG1 3.22Å; N229-I233 WeakPolarHBondContact O-CG1 3.43Å; N229-I233 PolarHBondContact O-N 3.04Å
230A94.8Very high81.6Confident21 Ų2153 Ų5317%0.17430%0.3CS..Hα-helixtrans-61.7-38.5178.200000112.5Q146 L152 I226 Y227 R228 K234Q146-A230 WeakPolarHBondContact O-CA 3.48Å; Q146-A230 WeakPolarHBondContact O-CB 3.11Å; L152-A230 HydrophobicContact CD1-CB 3.93Å; I226-A230 WeakPolarHBondContact O-CB 3.37Å; I226-A230 PolarHBondContact O-N 2.9Å; Y227-A230 PolarHBondContact O-N 2.92Å; R228-A230 PolarHBondContact O-N 2.79Å; A230-K234 WeakPolarHBondContact O-CB 3.42Å; A230-K234 PolarHBondContact O-N 3.12Å
231H93.3Very high78.5Confident30 Ų3058.5 Ų58.514%0.13934%0.339CS..Hα-helixtrans-64.3-48.5174.9-178.3-109.7000112.1Q186 E188 Y227 R228 N229 I233 K234 N235Q186-H231 PolarHBondContact NE2-NE2 3.12Å; E188-H231 IonicContact OE1-CE1 2.93Å; Y227-H231 WeakPolarHBondContact O-CB 3.31Å; Y227-H231 PolarHBondContact O-N 2.82Å; R228-H231 WeakPolarHBondContact O-CB 3.39Å; R228-H231 PolarHBondContact O-N 3.35Å; N229-H231 VanDerWaalsContact C-N 3.31Å; N229-H231 PolarHBondContact O-N 3.05Å; H231-I233 PolarHBondContact O-N 3.12Å; H231-K234 PolarHBondContact O-N 3.06Å; H231-N235 PolarHBondContact CE1-ND2 3.2Å; H231-N235 PolarHBondContact NE2-ND2 3.11Å; H231-N235 PolarHBondContact O-N 3.29Å
232D92.2Very high75.6Confident21 Ų2166.5 Ų66.511%0.11236%0.357CS..Hα-helixtrans-61.1-44.2178.9-70.9-22.4000111.5A52 R54 L67 R228 N229 K234 N235 K236A52-D232 HydrophobicContact CB-CB 3.96Å; R54-D232 IonicContact CZ-OD2 2.8Å; R54-D232 VanDerWaalsContact CZ-OD2 3.27Å; R54-D232 IonicContact NE-OD2 2.76Å; R54-D232 PolarHBondContact NE-OD2 3.12Å; R54-D232 IonicContact NH2-OD2 3.68Å; R54-D232 PolarHBondContact NH2-OD2 3.09Å; L67-D232 HydrophobicContact CD1-CB 4.19Å; L67-D232 HydrophobicContact CD2-CB 3.91Å; R228-D232 PolarHBondContact O-N 3.37Å; N229-D232 PolarHBondContact O-N 3.29Å; D232-K234 VanDerWaalsContact C-N 3.33Å; D232-K234 PolarHBondContact O-N 2.98Å; D232-N235 PolarHBondContact O-N 2.65Å; D232-K236 WeakPolarHBondContact O-CB 3.46Å; D232-K236 PolarHBondContact O-N 2.73Å
233I91.7Very high72.5Confident14 Ų1467.8 Ų67.87%0.07237%0.373CS..Hα-helixtrans-59.4-45175.6-69.3164.1000110.2V50 L67 A69 Q146 N229 H231 S237V50-I233 HydrophobicContact CB-CG1 4.41Å; V50-I233 HydrophobicContact CG2-CG1 4.33Å; V50-I233 HydrophobicContact CG2-CG2 4.48Å; L67-I233 HydrophobicContact CB-CD1 4.48Å; L67-I233 HydrophobicContact CB-CG1 4.22Å; L67-I233 HydrophobicContact CD2-CG1 4.29Å; A69-I233 HydrophobicContact CB-CG2 4.45Å; Q146-I233 HydrophobicContact CB-CD1 4.25Å; Q146-I233 HydrophobicContact CG-CD1 3.9Å; N229-I233 WeakPolarHBondContact O-CB 3.16Å; N229-I233 WeakPolarHBondContact O-CD1 3.41Å; N229-I233 VanDerWaalsContact O-CG1 3.22Å; N229-I233 WeakPolarHBondContact O-CG1 3.43Å; N229-I233 PolarHBondContact O-N 3.04Å; H231-I233 PolarHBondContact O-N 3.12Å; I233-S237 WeakPolarHBondContact O-CB 3.49Å; I233-S237 PolarHBondContact O-N 3.01Å; I233-S237 VanDerWaalsContact O-N 3.15Å; I233-S237 PolarHBondContact O-OG 3.49Å
234K89.4Confident69.5Low156 Ų15673.1 Ų73.168%0.67841%0.407SS*.Hα-helixtrans-64.6-41.7-179.8-172.8-177.6177.7-172.90112.8A230 H231 D232 S238A230-K234 WeakPolarHBondContact O-CB 3.42Å; A230-K234 PolarHBondContact O-N 3.12Å; H231-K234 PolarHBondContact O-N 3.06Å; D232-K234 VanDerWaalsContact C-N 3.33Å; D232-K234 PolarHBondContact O-N 2.98Å; K234-S238 PolarHBondContact O-OG 2.83Å; K234-S238 VanDerWaalsContact O-OG 3.09Å
235N83.3Confident66.4Low74 Ų7477.3 Ų77.340%0.39643%0.434SS..Hα-helixtrans-82.1-27.7-174.1-72.1-7.4000114.1H231 D232 S238H231-N235 PolarHBondContact CE1-ND2 3.2Å; H231-N235 PolarHBondContact NE2-ND2 3.11Å; H231-N235 PolarHBondContact O-N 3.29Å; D232-N235 PolarHBondContact O-N 2.65Å; N235-S238 PolarHBondContact O-OG 2.85Å
236K71.5Confident63.4Low104 Ų10481.1 Ų81.145%0.45246%0.458SS..Hα-helixtrans-92.5-21.5179-72.4-71-173.9179.70113.5V50 D232 S238 A239V50-K236 HydrophobicContact CG1-CB 3.49Å; V50-K236 VanDerWaalsContact CG1-CB 3.49Å; V50-K236 HydrophobicContact CG1-CG 4.11Å; D232-K236 WeakPolarHBondContact O-CB 3.46Å; D232-K236 PolarHBondContact O-N 2.73Å; K236-S238 PolarHBondContact O-N 3.45Å; K236-A239 PolarHBondContact O-N 2.78Å
237S57.5Low60.1Low87 Ų8790.4 Ų90.461%0.60850%0.499SS*.THydrogen-bonded Turntrans-66.7-12.5170-59.90000112.9I233I233-S237 WeakPolarHBondContact O-CB 3.49Å; I233-S237 PolarHBondContact O-N 3.01Å; I233-S237 VanDerWaalsContact O-N 3.15Å; I233-S237 PolarHBondContact O-OG 3.49Å
238S40.1Very low56.7Low93 Ų9395.9 Ų95.965%0.6553%0.534SS*.THydrogen-bonded Turntrans-106.85.7-178.539.30000114.9K234 N235 K236K234-S238 PolarHBondContact O-OG 2.83Å; K234-S238 VanDerWaalsContact O-OG 3.09Å; N235-S238 PolarHBondContact O-OG 2.85Å; K236-S238 PolarHBondContact O-N 3.45Å
239A33.9Very low53.6Low56 Ų5696.9 Ų96.946%0.46355%0.551SS.*SBendtrans-116.8134.1-178.500000113.5K236K236-A239 PolarHBondContact O-N 2.78Å
240P31.2Very low50.4Low118 Ų118106.2 Ų106.277%0.76660%0.595SS**  trans-75127.5169.1-6.222.4000110.9R242P240-R242 PolarHBondContact O-N 2.99Å
241S27.5Very low47Very low121 Ų121108.5 Ų108.585%0.84662%0.62SS**  trans-70112.9177.9-70.90000112
242R29.9Very low43.6Very low247 Ų247113.5 Ų113.593%0.93265%0.652SS**PPolyproline II helixtrans-96.8130.2158.7-83-175.8175-178.8-1109.3P240P240-R242 PolarHBondContact O-N 2.99Å
243V27.9Very low40.4Very low95 Ų95117.6 Ų117.658%0.57668%0.683SS**PPolyproline II helixtrans-84.5138.9174-178.80000108.5
244P29.6Very low37.1Very low112 Ų112124.3 Ų124.373%0.72771%0.714SS**PPolyproline II helixtrans-92144.7172.319.5-4.8000112.4
245P29Very low34Very low121 Ų121127.8 Ų127.879%0.78672%0.723SS**PPolyproline II helixtrans-85.9167.7169.634.5-30.6000112.6
246P29.5Very low31.2Very low128 Ų128132.9 Ų132.983%0.83174%0.741SS**PPolyproline II helixtrans-90.2161.5-161.432.3-27.9000116
247F25.6Very low28.8Very low196 Ų196134.2 Ų134.286%0.8675%0.754SS**PPolyproline II helixtrans-50.9146.2-178.3-93.6-110.1000117.3
248V24.8Very low27.5Very low140 Ų140135.2 Ų135.285%0.84876%0.761SS**  trans-138.8142.2145.6-177.40000108.8
249P28.5Very low26.8Very low99 Ų99136.7 Ų136.764%0.64377%0.771SS**  trans-106.5154.5-158.337-28.1000117.3
250Q26.6Very low26.3Very low198 Ų198137.5 Ų137.593%0.92579%0.785SS**  trans65.1130.6144.7-93.1172.5-24.100123
251G23.6Very low26Very low68 Ų68137.3 Ų137.370%0.70179%0.786SS**  trans-171.584.9158.900000113.1
252T23.3Very low25.8Very low135 Ų135137.3 Ų137.383%0.82878%0.781SS**  trans41.1112.5144.856.80000120.5
253S23.7Very low25.6Very low107 Ų107130.7 Ų130.775%0.74877%0.773SS**  74123.795-140.60000112.3
254E23.5Very low25.7Very low155 Ų155132 Ų13272%0.72478%0.783SS**  cis-160.9148.440.7-75.1-175.813300112.8
255R23.7Very low25.5Very low230 Ų230134.2 Ų134.287%0.86879%0.789SS**  trans25.9146.2136.1-62.3175.1179.31761.6120
256K24.4Very low25.5Very low180 Ų180134.1 Ų134.178%0.78379%0.786SS**  cis-174.9133.3-9.5-158.2-175.8-178.9-175.20102
257D21.3Very low25.4Very low133 Ų133135.7 Ų135.771%0.71179%0.786SS**  180129.8103.5-88.1-31.5000111.7
258S28.9Very low25.9Very low108 Ų108129.5 Ų129.576%0.75577%0.767SS**  trans39.497.1140.1-51.90000120.4
259S27.3Very low26.6Very low123 Ų123128.6 Ų128.686%0.8675%0.754SS**  trans171.769.5131.343.90000111S261S259-S261 PolarHBondContact O-N 3.48Å
260G22Very low27.5Very low74 Ų74132.1 Ų132.176%0.76376%0.762SS**  trans-94.894.1-178.300000112.9V262G260-V262 PolarHBondContact O-N 3.12Å
261S25.5Very low28.5Very low113 Ų113128.4 Ų128.479%0.7974%0.744SS**  trans-57.4118.1160.951.70000110.3S259 S263S259-S261 PolarHBondContact O-N 3.48Å; S261-S263 PolarHBondContact O-N 3.26Å
262V23Very low30.1Very low122 Ų122126.3 Ų126.374%0.73972%0.723SS**  trans-74.4114.3174.8176.10000109.4G260G260-V262 PolarHBondContact O-N 3.12Å
263S25.7Very low32.7Very low108 Ų108121.8 Ų121.876%0.75569%0.693SS**  trans-61.9139.1170.5-55.60000112.4S261S261-S263 PolarHBondContact O-N 3.26Å
264P30.3Very low35.7Very low121 Ų121118.7 Ų118.779%0.78667%0.667SS**  trans-97135.8162.611.96.8000112.8
265N25.3Very low39Very low160 Ų160111.3 Ų111.386%0.85663%0.633SS**  trans-8.7129.2161.2-67.9-27.8000120.2L267N265-L267 PolarHBondContact O-N 3.16Å; N265-L267 VanDerWaalsContact O-N 3.14Å
266T29.2Very low41.8Very low118 Ų118100.5 Ų100.572%0.72459%0.592SS**SBendtrans-80.564175.7-20.40000113.1
267L26.6Very low44.5Very low161 Ų16192 Ų9284%0.84356%0.556SS**SBendtrans-128.6113.2154.7-99.2158.7000106.6N265N265-L267 PolarHBondContact O-N 3.16Å; N265-L267 VanDerWaalsContact O-N 3.14Å
268S37Very low47Very low66 Ų6691.4 Ų91.446%0.46254%0.544SS..SBendtrans86.328.5-17898.20000117.9E270 E271 G272S268-E270 PolarHBondContact O-N 3.44Å; S268-E271 PolarHBondContact O-N 3.06Å; S268-G272 PolarHBondContact O-N 3.4Å
269Q40Very low49.5Very low121 Ų12189.4 Ų89.457%0.56552%0.523SS*.Hα-helixtrans-52.9-36.8167.7-164.6164.1100110.4G272 D273Q269-G272 PolarHBondContact O-N 3.26Å; Q269-D273 WeakPolarHBondContact O-CB 3.4Å; Q269-D273 PolarHBondContact O-N 3.36Å; Q269-D273 VanDerWaalsContact O-OD2 3.13Å
270E47.2Very low51.9Low173 Ų17383.6 Ų83.681%0.80848%0.482SS*.Hα-helixtrans-69.9-31175-65.4-177165.700115.9S268 Q274S268-E270 PolarHBondContact O-N 3.44Å; E270-Q274 PolarHBondContact O-N 3.34Å
271E46.6Very low54.2Low120 Ų12083.6 Ų83.656%0.56146%0.459SS*.Hα-helixtrans-82-30.1173.7-65-168.9136.600112.1S268 Q274S268-E271 PolarHBondContact O-N 3.06Å; E271-Q274 PolarHBondContact O-N 3.09Å
272G57.4Low56.4Low24 Ų2486.9 Ų86.925%0.24746%0.459CS..Hα-helixtrans-71.4-32.1172.600000112.7S268 Q269 Q274 H291 V293S268-G272 PolarHBondContact O-N 3.4Å; Q269-G272 PolarHBondContact O-N 3.26Å; G272-Q274 VanDerWaalsContact C-N 3.29Å; G272-Q274 PolarHBondContact O-N 2.73Å; G272-H291 WeakPolarHBondContact CA-O 3.47Å; G272-V293 WeakPolarHBondContact O-CG2 3.35Å
273D77.4Confident58.1Low40 Ų4084.3 Ų84.321%0.21445%0.447CS..SBendtrans-79.9-5.2175.8-75.9-27000113.1Q269 R357 L359Q269-D273 WeakPolarHBondContact O-CB 3.4Å; Q269-D273 PolarHBondContact O-N 3.36Å; Q269-D273 VanDerWaalsContact O-OD2 3.13Å; D273-R357 IonicContact OD1-CZ 2.98Å; D273-R357 IonicContact OD1-NH1 3.73Å; D273-R357 PolarHBondContact OD1-NH1 2.69Å; D273-R357 IonicContact OD1-NH2 2.74Å; D273-R357 IonicContact OD2-NH1 3.78Å; D273-R357 PolarHBondContact OD2-NH1 2.96Å; D273-L359 HydrophobicContact CB-CD2 3.82Å; D273-L359 WeakPolarHBondContact O-CB 3.19Å; D273-L359 WeakPolarHBondContact O-CD2 3.45Å
274Q87.8Confident60.1Low42 Ų4280.1 Ų80.120%0.19642%0.417CS..SBendtrans-75.3139.9174.3-174173.391.300111.2E270 E271 G272 R292 V293 S360 A362E270-Q274 PolarHBondContact O-N 3.34Å; E271-Q274 PolarHBondContact O-N 3.09Å; G272-Q274 VanDerWaalsContact C-N 3.29Å; G272-Q274 PolarHBondContact O-N 2.73Å; Q274-R292 VanDerWaalsContact O-CB 3.31Å; Q274-R292 WeakPolarHBondContact O-CB 3.4Å; Q274-V293 PolarHBondContact O-N 3.44Å; Q274-S360 WeakPolarHBondContact CA-O 3.46Å; Q274-S360 VanDerWaalsContact CG-O 3.32Å; Q274-S360 WeakPolarHBondContact CG-O 3.43Å; Q274-A362 VanDerWaalsContact NE2-CA 3.26Å
275I91.5Very high61.3Low0 Ų079.1 Ų79.10%041%0.413CS..BIsolated β-bridgetrans-74.7133.6176.4-54.8172.3000110.2L277 I280 V293 F295 R300 L359 S360 T361I275-L277 PolarHBondContact O-N 3.09Å; I275-I280 HydrophobicContact CB-CD1 4.44Å; I275-I280 HydrophobicContact CG2-CD1 3.55Å; I275-I280 HydrophobicContact CG2-CG1 3.94Å; I275-V293 WeakPolarHBondContact CA-O 3.47Å; I275-F295 HydrophobicContact CG2-CB 4.04Å; I275-R300 HydrophobicContact CD1-CB 4.1Å; I275-L359 HydrophobicContact CD1-CB 4.19Å; I275-L359 HydrophobicContact CG1-CB 4.08Å; I275-S360 PolarHBondContact N-O 2.98Å; I275-T361 HydrophobicContact CB-CG2 3.98Å; I275-T361 HydrophobicContact CG2-CG2 4.3Å
276C84.4Confident62.2Low3 Ų378 Ų782%0.0240%0.401CS..  trans-70.6108.1-178.1-176.50000111.8Y278 H279 I280 R292 V293C276-Y278 PolarHBondContact O-N 3.35Å; C276-H279 HydrophobicContact CB-CB 3.73Å; C276-H279 WeakPolarHBondContact O-CB 3.08Å; C276-H279 PolarHBondContact O-N 3.43Å; C276-H279 PolarHBondContact SG-N 3.09Å; C276-H279 VanDerWaalsContact SG-N 3.43Å; C276-I280 PolarHBondContact O-N 3.39Å; C276-I280 VanDerWaalsContact O-N 3.1Å; C276-R292 HydrophobicContact CB-CB 3.72Å; C276-V293 PolarHBondContact N-O 3.23Å
277L80.8Confident64.2Low3 Ų378.8 Ų78.82%0.01640%0.396CS..Hα-helixtrans-55.6-37.1175.8-75.5170.3000113.3I275 H279 R281 T361 A362 F371 L373 T374I275-L277 PolarHBondContact O-N 3.09Å; L277-H279 VanDerWaalsContact C-N 3.34Å; L277-R281 WeakPolarHBondContact O-CG 3.49Å; L277-R281 PolarHBondContact O-N 3.45Å; L277-T361 HydrophobicContact CD2-CG2 3.73Å; L277-T361 HydrophobicContact CG-CG2 4.37Å; L277-A362 HydrophobicContact CD1-CB 4.08Å; L277-F371 HydrophobicContact CD1-CD1 3.96Å; L277-L373 HydrophobicContact CD2-CB 4.48Å; L277-L373 WeakPolarHBondContact CD2-O 3.37Å; L277-T374 HydrophobicContact CD1-CG2 3.98Å; L277-T374 HydrophobicContact CD2-CG2 4.35Å
278Y72.8Confident66Low120 Ų12078.6 Ų78.647%0.47140%0.396SS..Hα-helixtrans-71-31.6178.1-60.9-76.8000112.1C276 R281 K282 S283 C284C276-Y278 PolarHBondContact O-N 3.35Å; Y278-R281 CarbonylContact O-C 3.56Å; Y278-R281 PolarHBondContact O-N 3.09Å; Y278-K282 PolarHBondContact O-N 2.9Å; Y278-S283 CarbonylContact O-C 3.52Å; Y278-S283 PolarHBondContact O-N 2.99Å; Y278-S283 PolarHBondContact O-OG 3.19Å; Y278-C284 PolarHBondContact O-N 3.04Å; Y278-C284 VanDerWaalsContact O-N 3.09Å
279H81.3Confident67.3Low65 Ų6584.7 Ų84.730%0.30141%0.414SS..Hα-helixtrans-72.3-44.6177.9177.680.5000111.2C276 L277 R281 K282 C284 H294 F295C276-H279 HydrophobicContact CB-CB 3.73Å; C276-H279 WeakPolarHBondContact O-CB 3.08Å; C276-H279 PolarHBondContact O-N 3.43Å; C276-H279 PolarHBondContact SG-N 3.09Å; C276-H279 VanDerWaalsContact SG-N 3.43Å; L277-H279 VanDerWaalsContact C-N 3.34Å; H279-R281 PolarHBondContact O-N 3.47Å; H279-R281 VanDerWaalsContact O-N 3.12Å; H279-K282 PolarHBondContact O-N 2.92Å; H279-C284 HydrophobicContact CB-CB 3.96Å; H279-H294 AromaticContact CD2-CG 3.99Å; H279-H294 AromaticContact CE1-CG 3.83Å; H279-H294 AromaticContact CE1-ND1 3.78Å; H279-H294 AromaticContact CG-CD2 3.62Å; H279-H294 AromaticContact CG-CG 3.48Å; H279-H294 VanDerWaalsContact CG-CG 3.48Å; H279-H294 AromaticContact CG-ND1 3.81Å; H279-H294 AromaticContact CG-NE2 3.97Å; H279-H294 AromaticContact ND1-CD2 3.88Å; H279-H294 AromaticContact ND1-CE1 3.63Å; H279-H294 AromaticContact ND1-CG 3.38Å; H279-H294 AromaticContact ND1-ND1 3.25Å; H279-H294 PolarHBondContact ND1-ND1 3.15Å; H279-H294 AromaticContact ND1-NE2 3.99Å; H279-F295 PolarHBondContact CD2-N 2.84Å; H279-F295 PolarHBondContact CD2-O 3.06Å
280I79.1Confident68.8Low2 Ų280.1 Ų80.11%0.0140%0.395CS..Hα-helixtrans-57.1-30.1174-60.7162.2000110.3I275 C276 F295 P298 T361 L373 V468 Q472I275-I280 HydrophobicContact CB-CD1 4.44Å; I275-I280 HydrophobicContact CG2-CD1 3.55Å; I275-I280 HydrophobicContact CG2-CG1 3.94Å; C276-I280 PolarHBondContact O-N 3.39Å; C276-I280 VanDerWaalsContact O-N 3.1Å; I280-F295 WeakPolarHBondContact CG1-O 3.43Å; I280-P298 HydrophobicContact CD1-CB 4.49Å; I280-T361 HydrophobicContact CD1-CG2 3.28Å; I280-L373 HydrophobicContact CG2-CD1 3.51Å; I280-V468 HydrophobicContact CG2-CG1 4.12Å; I280-Q472 WeakPolarHBondContact O-CG 3.33Å; I280-Q472 PolarHBondContact O-NE2 3.45Å
281R68.6Low70.2Confident74 Ų7478 Ų7828%0.27939%0.386SS..THydrogen-bonded Turntrans-89.911.9175-64.6-179.2-168.4-169.44.8115L277 Y278 H279 S283 H370 I372L277-R281 WeakPolarHBondContact O-CG 3.49Å; L277-R281 PolarHBondContact O-N 3.45Å; Y278-R281 CarbonylContact O-C 3.56Å; Y278-R281 PolarHBondContact O-N 3.09Å; H279-R281 PolarHBondContact O-N 3.47Å; H279-R281 VanDerWaalsContact O-N 3.12Å; R281-S283 PolarHBondContact O-N 2.99Å; R281-H370 PolarHBondContact NH2-O 3.3Å; R281-I372 PolarHBondContact NH2-O 3.26Å
282K72.3Confident72Confident181 Ų18174.9 Ų74.979%0.78737%0.368SS*.THydrogen-bonded Turntrans55.222.6-177.7-54.2-178.6179.6178.10114.9Y278 H279Y278-K282 PolarHBondContact O-N 2.9Å; H279-K282 PolarHBondContact O-N 2.92Å
283S59Low73.5Confident69 Ų6975 Ų7548%0.48336%0.364SS..  trans-11910.7-175.151.20000113.5Y278 R281 S285Y278-S283 CarbonylContact O-C 3.52Å; Y278-S283 PolarHBondContact O-N 2.99Å; Y278-S283 PolarHBondContact O-OG 3.19Å; R281-S283 PolarHBondContact O-N 2.99Å; S283-S285 PolarHBondContact O-N 3.4Å; S283-S285 VanDerWaalsContact O-N 3.15Å
284C68.3Low74.1Confident19 Ų1975.2 Ų75.213%0.12836%0.364CS..  trans-72.6107.1176.6-172.90000111Y278 H279 F286 H294Y278-C284 PolarHBondContact O-N 3.04Å; Y278-C284 VanDerWaalsContact O-N 3.09Å; H279-C284 HydrophobicContact CB-CB 3.96Å; C284-F286 PolarHBondContact O-N 3.26Å; C284-H294 PolarHBondContact SG-NE2 2.78Å
285S55.2Low74.3Confident101 Ų10174.1 Ų74.171%0.70636%0.358SS*.THydrogen-bonded Turntrans-70.5-11.917754.90000114.3S283S283-S285 PolarHBondContact O-N 3.4Å; S283-S285 VanDerWaalsContact O-N 3.15Å
286F44.5Very low74.2Confident136 Ų13679.1 Ų79.160%0.59638%0.382SS*.THydrogen-bonded Turntrans-91.3-13.9-176.7-61.2-75000114C284 D288 K289 C290C284-F286 PolarHBondContact O-N 3.26Å; F286-D288 PolarHBondContact O-N 3.45Å; F286-K289 WeakPolarHBondContact O-CA 3.38Å; F286-K289 WeakPolarHBondContact O-CB 3.41Å; F286-K289 PolarHBondContact O-N 3.01Å; F286-C290 HydrophobicContact CB-CB 4.03Å
287Q71.6Confident74.5Confident134 Ų13479.1 Ų79.163%0.62638%0.382SS*.G310 helixtrans41.3-130.3-179.6-60.9-179.1-1.900111.4K289 C290 H294Q287-K289 PolarHBondContact O-N 3.22Å; Q287-C290 WeakPolarHBondContact O-CB 3.27Å; Q287-C290 PolarHBondContact O-N 2.64Å; Q287-C290 VanDerWaalsContact O-N 3.07Å; Q287-H294 VanDerWaalsContact C-CE1 3.5Å; Q287-H294 PolarHBondContact O-CE1 3.09Å; Q287-H294 PolarHBondContact O-ND1 2.92Å
288D64.3Low75.1Confident158 Ų15879.2 Ų79.285%0.84538%0.382SS*.G310 helixtrans-67.4-3.5-177-54.4-38.3000114.8F286F286-D288 PolarHBondContact O-N 3.45Å
289K63.9Low76.1Confident193 Ų19373.6 Ų73.684%0.83936%0.36SS*.G310 helixtrans-97.84.7175.9-56.1174.3-176.6169.70112.5F286 Q287F286-K289 WeakPolarHBondContact O-CA 3.38Å; F286-K289 WeakPolarHBondContact O-CB 3.41Å; F286-K289 PolarHBondContact O-N 3.01Å; Q287-K289 PolarHBondContact O-N 3.22Å
290C70.9Confident76.8Confident25 Ų2572.9 Ų72.917%0.16936%0.355CS..  trans-69.9133.5176.1-1690000110.8F286 Q287 R292 H294F286-C290 HydrophobicContact CB-CB 4.03Å; Q287-C290 WeakPolarHBondContact O-CB 3.27Å; Q287-C290 PolarHBondContact O-N 2.64Å; Q287-C290 VanDerWaalsContact O-N 3.07Å; C290-R292 PolarHBondContact O-N 3.15Å; C290-H294 WeakPolarHBondContact CB-NE2 3.29Å; C290-H294 PolarHBondContact SG-NE2 3.42Å
291H77.5Confident77.5Confident130 Ų13072.8 Ų72.860%0.60235%0.354SS*.SBendtrans-75.2-7.917765.3-82.6000113.4G272G272-H291 WeakPolarHBondContact CA-O 3.47Å
292R83Confident78.8Confident53 Ų5369.7 Ų69.720%0.234%0.343CS..SBendtrans-105.6153.7-179.2-68.7-178.4-171.2-153-8.9110.3Q274 C276 C290 H294Q274-R292 VanDerWaalsContact O-CB 3.31Å; Q274-R292 WeakPolarHBondContact O-CB 3.4Å; C276-R292 HydrophobicContact CB-CB 3.72Å; C290-R292 PolarHBondContact O-N 3.15Å; R292-H294 PolarHBondContact O-CD2 2.98Å; R292-H294 PolarHBondContact O-N 3.18Å
293V90Very high79.7Confident26 Ų2663 Ų6316%0.15831%0.314CS..BIsolated β-bridgetrans-64.7125.1-180-177.10000110.7G272 Q274 I275 C276 F295 L359G272-V293 WeakPolarHBondContact O-CG2 3.35Å; Q274-V293 PolarHBondContact O-N 3.44Å; I275-V293 WeakPolarHBondContact CA-O 3.47Å; C276-V293 PolarHBondContact N-O 3.23Å; V293-F295 HydrophobicContact CG1-CB 4.36Å; V293-L359 HydrophobicContact CB-CD1 4.38Å; V293-L359 HydrophobicContact CG1-CD1 4.22Å; V293-L359 HydrophobicContact CG2-CD1 3.86Å
294H89.4Confident81.2Confident45 Ų4562 Ų6221%0.20830%0.303CS..  trans-86.3108.4170.5-78.4-166.6000108.9H279 C284 Q287 C290 R292H279-H294 AromaticContact CD2-CG 3.99Å; H279-H294 AromaticContact CE1-CG 3.83Å; H279-H294 AromaticContact CE1-ND1 3.78Å; H279-H294 AromaticContact CG-CD2 3.62Å; H279-H294 AromaticContact CG-CG 3.48Å; H279-H294 VanDerWaalsContact CG-CG 3.48Å; H279-H294 AromaticContact CG-ND1 3.81Å; H279-H294 AromaticContact CG-NE2 3.97Å; H279-H294 AromaticContact ND1-CD2 3.88Å; H279-H294 AromaticContact ND1-CE1 3.63Å; H279-H294 AromaticContact ND1-CG 3.38Å; H279-H294 AromaticContact ND1-ND1 3.25Å; H279-H294 PolarHBondContact ND1-ND1 3.15Å; H279-H294 AromaticContact ND1-NE2 3.99Å; C284-H294 PolarHBondContact SG-NE2 2.78Å; Q287-H294 VanDerWaalsContact C-CE1 3.5Å; Q287-H294 PolarHBondContact O-CE1 3.09Å; Q287-H294 PolarHBondContact O-ND1 2.92Å; C290-H294 WeakPolarHBondContact CB-NE2 3.29Å; C290-H294 PolarHBondContact SG-NE2 3.42Å; R292-H294 PolarHBondContact O-CD2 2.98Å; R292-H294 PolarHBondContact O-N 3.18Å
295F92.4Very high82.2Confident19 Ų1963.2 Ų63.28%0.08331%0.308CS..  trans-145.2151.3177.9-159.7-112.7000110I275 H279 I280 V293 L297 Y299 R300 M315I275-F295 HydrophobicContact CG2-CB 4.04Å; H279-F295 PolarHBondContact CD2-N 2.84Å; H279-F295 PolarHBondContact CD2-O 3.06Å; I280-F295 WeakPolarHBondContact CG1-O 3.43Å; V293-F295 HydrophobicContact CG1-CB 4.36Å; F295-L297 HydrophobicContact CD1-CB 4.05Å; F295-L297 HydrophobicContact CE1-CB 3.94Å; F295-L297 HydrophobicContact CE1-CD1 4.35Å; F295-L297 HydrophobicContact CE1-CG 4.31Å; F295-Y299 WeakPolarHBondContact CD1-O 3.45Å; F295-Y299 WeakPolarHBondContact CE1-O 3.22Å; F295-R300 HydrophobicContact CD1-CB 3.77Å; F295-R300 HydrophobicContact CD1-CG 4.01Å; F295-R300 HydrophobicContact CD2-CG 4.13Å; F295-R300 HydrophobicContact CE1-CB 3.94Å; F295-R300 HydrophobicContact CE1-CG 3.91Å; F295-R300 HydrophobicContact CE2-CG 4.03Å; F295-R300 HydrophobicContact CG-CB 4.18Å; F295-R300 HydrophobicContact CG-CG 4.13Å; F295-R300 HydrophobicContact CZ-CB 4.47Å; F295-R300 HydrophobicContact CZ-CG 3.94Å; F295-M315 HydrophobicContact CE1-SD 3.56Å; F295-M315 VanDerWaalsContact CE1-SD 3.56Å; F295-M315 HydrophobicContact CZ-CE 3.81Å; F295-M315 HydrophobicContact CZ-SD 3.41Å; F295-M315 WeakPolarHBondContact CZ-SD 3.46Å
296H88.4Confident83.6Confident106 Ų10669.6 Ų69.649%0.49132%0.317SS..SBendtrans-83.7-16.8-17161.8-78.9000113.7
297L92.3Very high85.5Confident3 Ų366.2 Ų66.22%0.01632%0.32CS..SBendtrans-109.2157.4175.4-61.9175000111.4F295 Y299 M315 E316 P465 V468F295-L297 HydrophobicContact CD1-CB 4.05Å; F295-L297 HydrophobicContact CE1-CB 3.94Å; F295-L297 HydrophobicContact CE1-CD1 4.35Å; F295-L297 HydrophobicContact CE1-CG 4.31Å; L297-Y299 HydrophobicContact CB-CD2 4.42Å; L297-Y299 HydrophobicContact CB-CE2 4.26Å; L297-Y299 WeakPolarHBondContact CB-O 3.49Å; L297-Y299 HydrophobicContact CD1-CD2 4.45Å; L297-Y299 HydrophobicContact CD1-CE2 3.73Å; L297-Y299 PolarHBondContact O-N 3.03Å; L297-M315 HydrophobicContact CD1-CG 4.32Å; L297-M315 HydrophobicContact CD1-SD 4.24Å; L297-E316 HydrophobicContact CD1-CG 4.27Å; L297-P465 HydrophobicContact CD2-CB 4.15Å; L297-P465 HydrophobicContact CD2-CG 4.11Å; L297-V468 HydrophobicContact CD2-CB 4.45Å; L297-V468 HydrophobicContact CD2-CG2 3.96Å
298P92.6Very high86.3Confident4 Ų467.4 Ų67.43%0.02632%0.323CS..SBendtrans-74-0.2177.530.1-34000113.9I280 T361 V463 V468I280-P298 HydrophobicContact CD1-CB 4.49Å; P298-T361 HydrophobicContact CB-CG2 3.88Å; P298-T361 PolarHBondContact O-N 2.7Å; P298-T361 VanDerWaalsContact O-N 3.07Å; P298-V463 HydrophobicContact CG-CB 4.03Å; P298-V463 HydrophobicContact CG-CG1 4.17Å; P298-V463 HydrophobicContact CG-CG2 4.48Å; P298-V468 VanDerWaalsContact CD-CG2 3.48Å; P298-V468 HydrophobicContact CG-CG2 4.18Å
299Y94.7Very high87.7Confident2 Ų263.7 Ų63.71%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-136.3154.4174.948.2-92.5000110.3F295 L297 E319 L359 V463F295-Y299 WeakPolarHBondContact CD1-O 3.45Å; F295-Y299 WeakPolarHBondContact CE1-O 3.22Å; L297-Y299 HydrophobicContact CB-CD2 4.42Å; L297-Y299 HydrophobicContact CB-CE2 4.26Å; L297-Y299 WeakPolarHBondContact CB-O 3.49Å; L297-Y299 HydrophobicContact CD1-CD2 4.45Å; L297-Y299 HydrophobicContact CD1-CE2 3.73Å; L297-Y299 PolarHBondContact O-N 3.03Å; Y299-E319 HydrophobicContact CD1-CB 4.45Å; Y299-E319 HydrophobicContact CD1-CG 3.6Å; Y299-E319 HydrophobicContact CD2-CB 3.69Å; Y299-E319 HydrophobicContact CD2-CG 3.72Å; Y299-E319 HydrophobicContact CE1-CB 4.35Å; Y299-E319 HydrophobicContact CE1-CG 3.64Å; Y299-E319 HydrophobicContact CE2-CB 3.53Å; Y299-E319 HydrophobicContact CE2-CG 3.74Å; Y299-E319 HydrophobicContact CG-CB 4.16Å; Y299-E319 HydrophobicContact CG-CG 3.64Å; Y299-L359 VanDerWaalsContact CA-O 3.27Å; Y299-L359 WeakPolarHBondContact CA-O 3.3Å; Y299-V463 WeakPolarHBondContact CE1-O 3.18Å; Y299-V463 PolarHBondContact OH-O 2.83Å
300R94.9Very high89Confident50 Ų5059.3 Ų59.319%0.18928%0.278CS..EExtended strand (participates in β ladder)trans-147.9125.6172.7-172.4-178.4-177.5168.71.1109.6I275 F295 Q302 D311 R358 L359I275-R300 HydrophobicContact CD1-CB 4.1Å; F295-R300 HydrophobicContact CD1-CB 3.77Å; F295-R300 HydrophobicContact CD1-CG 4.01Å; F295-R300 HydrophobicContact CD2-CG 4.13Å; F295-R300 HydrophobicContact CE1-CB 3.94Å; F295-R300 HydrophobicContact CE1-CG 3.91Å; F295-R300 HydrophobicContact CE2-CG 4.03Å; F295-R300 HydrophobicContact CG-CB 4.18Å; F295-R300 HydrophobicContact CG-CG 4.13Å; F295-R300 HydrophobicContact CZ-CB 4.47Å; F295-R300 HydrophobicContact CZ-CG 3.94Å; R300-Q302 HydrophobicContact CG-CG 4.21Å; R300-D311 IonicContact CZ-OD1 2.66Å; R300-D311 VanDerWaalsContact CZ-OD1 3.3Å; R300-D311 IonicContact CZ-OD2 2.86Å; R300-D311 IonicContact NE-OD1 3.67Å; R300-D311 PolarHBondContact NE-OD1 3.12Å; R300-D311 IonicContact NE-OD2 3.81Å; R300-D311 PolarHBondContact NE-OD2 3.48Å; R300-D311 VanDerWaalsContact NH2-CG 3.3Å; R300-D311 IonicContact NH2-OD1 3.08Å; R300-D311 PolarHBondContact NH2-OD1 3.17Å; R300-D311 IonicContact NH2-OD2 3.34Å; R300-D311 PolarHBondContact NH2-OD2 2.92Å; R300-R358 WeakPolarHBondContact O-CA 3.21Å; R300-L359 HydrophobicContact CB-CB 4.14Å; R300-L359 PolarHBondContact N-O 3.37Å; R300-L359 VanDerWaalsContact N-O 3.13Å; R300-L359 PolarHBondContact O-N 2.97Å
301W94.5Very high90Very high0 Ų060.8 Ų60.80%029%0.285CS..EExtended strand (participates in β ladder)trans-100.7130-179.5-76.194.1000110.8D311 L312 M315 I318 E319 Y322 L344 F346 M349 R358W301-D311 WeakPolarHBondContact O-CA 3.26Å; W301-L312 HydrophobicContact CB-CB 4.28Å; W301-L312 HydrophobicContact CB-CD1 4.18Å; W301-L312 PolarHBondContact O-N 3.47Å; W301-M315 HydrophobicContact CB-CB 4.31Å; W301-I318 HydrophobicContact CD2-CG2 3.6Å; W301-I318 HydrophobicContact CE3-CG2 4.12Å; W301-I318 HydrophobicContact CG-CB 4.49Å; W301-I318 HydrophobicContact CG-CG2 3.78Å; W301-I318 HydrophobicContact CZ2-CG2 4.09Å; W301-E319 PolarHBondContact NE1-OE2 3.43Å; W301-Y322 HydrophobicContact CH2-CD1 4.09Å; W301-Y322 AromaticContact CH2-CD2 3.93Å; W301-Y322 HydrophobicContact CH2-CD2 3.93Å; W301-Y322 HydrophobicContact CH2-CE1 4.45Å; W301-Y322 HydrophobicContact CH2-CE2 4.32Å; W301-Y322 AromaticContact CH2-CG 3.8Å; W301-Y322 HydrophobicContact CH2-CG 3.8Å; W301-Y322 AromaticContact CZ2-CD1 3.61Å; W301-Y322 HydrophobicContact CZ2-CD1 3.61Å; W301-Y322 HydrophobicContact CZ2-CD2 4.15Å; W301-Y322 HydrophobicContact CZ2-CE1 4.27Å; W301-Y322 AromaticContact CZ2-CG 3.52Å; W301-Y322 HydrophobicContact CZ2-CG 3.52Å; W301-L344 HydrophobicContact CE3-CD2 3.99Å; W301-L344 HydrophobicContact CZ3-CD2 4.06Å; W301-F346 AromaticContact CH2-CD1 3.76Å; W301-F346 HydrophobicContact CH2-CD1 3.76Å; W301-F346 AromaticContact CH2-CE1 3.89Å; W301-F346 HydrophobicContact CH2-CE1 3.89Å; W301-F346 HydrophobicContact CZ2-CD1 4.49Å; W301-F346 HydrophobicContact CZ2-CE1 4.25Å; W301-F346 HydrophobicContact CZ3-CD1 4.26Å; W301-F346 HydrophobicContact CZ3-CE1 4.4Å; W301-M349 HydrophobicContact CZ3-SD 4.25Å; W301-R358 HydrophobicContact CD2-CB 4.08Å; W301-R358 HydrophobicContact CD2-CG 4.22Å; W301-R358 HydrophobicContact CE3-CB 4.02Å; W301-R358 HydrophobicContact CH2-CB 3.93Å; W301-R358 HydrophobicContact CH2-CG 4.37Å; W301-R358 HydrophobicContact CZ2-CB 3.97Å; W301-R358 VanDerWaalsContact CZ2-CD 3.49Å; W301-R358 HydrophobicContact CZ2-CG 3.9Å; W301-R358 HydrophobicContact CZ3-CB 3.94Å
302Q94.4Very high90.5Very high9 Ų954.8 Ų54.84%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-137.8151.6-176.3-53.8-169.2-57.200111.9R300 W309 K310 D311 A356 R357R300-Q302 HydrophobicContact CG-CG 4.21Å; Q302-W309 HydrophobicContact CB-CB 4.33Å; Q302-W309 HydrophobicContact CB-CE3 3.93Å; Q302-K310 CarbonylContact C-O 3.55Å; Q302-K310 WeakPolarHBondContact CA-O 3.39Å; Q302-K310 VanDerWaalsContact CB-O 3.29Å; Q302-K310 WeakPolarHBondContact CB-O 3.42Å; Q302-D311 WeakPolarHBondContact CG-OD1 3.4Å; Q302-D311 PolarHBondContact NE2-OD1 3.34Å; Q302-A356 CarbonylContact O-C 3.57Å; Q302-A356 WeakPolarHBondContact O-CA 3.14Å; Q302-R357 HydrophobicContact CB-CG 4.09Å; Q302-R357 PolarHBondContact N-O 2.97Å; Q302-R357 PolarHBondContact O-N 3.39Å
303F92.8Very high90.6Very high41 Ų4158.6 Ų58.618%0.1828%0.282CS..EExtended strand (participates in β ladder)trans-122.3153.417072.5-76.5000111.2D305 W309 K310 L312 Y351 Q355F303-D305 HydrophobicContact CD2-CB 4.24Å; F303-D305 HydrophobicContact CE2-CB 3.77Å; F303-D305 HydrophobicContact CZ-CB 4.49Å; F303-D305 PolarHBondContact O-N 2.78Å; F303-W309 WeakPolarHBondContact O-CA 3.32Å; F303-K310 HydrophobicContact CD1-CB 4.21Å; F303-K310 WeakPolarHBondContact CD1-O 3.45Å; F303-K310 HydrophobicContact CE1-CB 3.74Å; F303-K310 HydrophobicContact CZ-CB 4Å; F303-K310 HydrophobicContact CZ-CD 4.29Å; F303-K310 PolarHBondContact N-O 3.48Å; F303-K310 PolarHBondContact O-N 3.1Å; F303-L312 HydrophobicContact CB-CD2 4.36Å; F303-L312 HydrophobicContact CB-CG 4.48Å; F303-L312 HydrophobicContact CD1-CD2 3.56Å; F303-L312 HydrophobicContact CD1-CG 3.85Å; F303-L312 HydrophobicContact CE1-CD2 4.16Å; F303-L312 HydrophobicContact CG-CD2 4.2Å; F303-Y351 HydrophobicContact CB-CD1 4.08Å; F303-Y351 HydrophobicContact CB-CG 4.48Å; F303-Y351 HydrophobicContact CD1-CD1 4.49Å; F303-Y351 HydrophobicContact CD2-CD1 4.1Å; F303-Y351 AromaticContact CG-CD1 3.98Å; F303-Y351 HydrophobicContact CG-CD1 3.98Å; F303-Q355 CarbonylContact C-O 3.52Å; F303-Q355 VanDerWaalsContact CA-O 3.26Å; F303-Q355 WeakPolarHBondContact CA-O 3.36Å
304L90.8Very high90.4Very high49 Ų4964 Ų6426%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-90.2104.8-177.3-172.867.2000110.1W309 Q355L304-W309 HydrophobicContact CB-CE3 4.15Å; L304-W309 HydrophobicContact CB-CH2 4.14Å; L304-W309 HydrophobicContact CB-CZ3 3.93Å; L304-W309 HydrophobicContact CD1-CD2 4.13Å; L304-W309 HydrophobicContact CD1-CG 4.46Å; L304-W309 HydrophobicContact CD1-CZ2 4.34Å; L304-Q355 HydrophobicContact CB-CB 4.17Å; L304-Q355 PolarHBondContact N-O 2.88Å
305D87.6Confident90.5Very high43 Ų4362.8 Ų62.823%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-110.4118.3175.518037.4000110.3F303 G307 K308 K310F303-D305 HydrophobicContact CD2-CB 4.24Å; F303-D305 HydrophobicContact CE2-CB 3.77Å; F303-D305 HydrophobicContact CZ-CB 4.49Å; F303-D305 PolarHBondContact O-N 2.78Å; D305-G307 PolarHBondContact O-N 2.86Å; D305-G307 VanDerWaalsContact O-N 3.07Å; D305-K308 PolarHBondContact N-O 2.78Å; D305-K308 PolarHBondContact O-N 2.85Å; D305-K308 VanDerWaalsContact O-O 3.1Å; D305-K310 HydrophobicContact CB-CD 3.88Å; D305-K310 HydrophobicContact CB-CG 4.34Å; D305-K310 VanDerWaalsContact OD2-CE 3.23Å; D305-K310 WeakPolarHBondContact OD2-CE 3.43Å; D305-K310 IonicContact OD2-NZ 2.63Å; D305-K310 PolarHBondContact OD2-NZ 3.14Å
306R85.8Confident90.5Very high236 Ų23664.7 Ų64.789%0.89131%0.307SS*.THydrogen-bonded Turntrans48.240.5177-61.8171.2-173.7-93.50.3113.4
307G84Confident90.6Very high65 Ų6564.1 Ų64.167%0.6731%0.307SS*.THydrogen-bonded Turntrans815.2178.900000115.6D305D305-G307 PolarHBondContact O-N 2.86Å; D305-G307 VanDerWaalsContact O-N 3.07Å
308K89Confident90.6Very high158 Ų15864.1 Ų64.169%0.68731%0.307SS*.EExtended strand (participates in β ladder)trans-118.8137.5175-65.9-177.3-179.4178.50110.7D305 K310D305-K308 PolarHBondContact N-O 2.78Å; D305-K308 PolarHBondContact O-N 2.85Å; D305-K308 VanDerWaalsContact O-O 3.1Å; K308-K310 PolarHBondContact O-N 3.12Å
309W92.1Very high90.7Very high80 Ų8064 Ų6430%0.30331%0.306SS..EExtended strand (participates in β ladder)trans-74.9123.8173-67.8105.1000110.1Q302 F303 L304 Q355 R357Q302-W309 HydrophobicContact CB-CB 4.33Å; Q302-W309 HydrophobicContact CB-CE3 3.93Å; F303-W309 WeakPolarHBondContact O-CA 3.32Å; L304-W309 HydrophobicContact CB-CE3 4.15Å; L304-W309 HydrophobicContact CB-CH2 4.14Å; L304-W309 HydrophobicContact CB-CZ3 3.93Å; L304-W309 HydrophobicContact CD1-CD2 4.13Å; L304-W309 HydrophobicContact CD1-CG 4.46Å; L304-W309 HydrophobicContact CD1-CZ2 4.34Å; W309-Q355 HydrophobicContact CH2-CB 4.3Å; W309-R357 VanDerWaalsContact CD1-CZ 3.44Å; W309-R357 HydrophobicContact CD2-CG 4.17Å; W309-R357 HydrophobicContact CE3-CG 3.69Å; W309-R357 HydrophobicContact CH2-CB 3.95Å; W309-R357 HydrophobicContact CH2-CG 3.83Å; W309-R357 HydrophobicContact CZ2-CG 4.3Å; W309-R357 HydrophobicContact CZ3-CB 3.91Å; W309-R357 HydrophobicContact CZ3-CG 3.5Å
310K91.2Very high90.7Very high101 Ų10168.8 Ų68.844%0.43933%0.328SS..EExtended strand (participates in β ladder)trans-116.5147.2174.9-70.5-172.9176175.50110.2Q302 F303 D305 K308Q302-K310 CarbonylContact C-O 3.55Å; Q302-K310 WeakPolarHBondContact CA-O 3.39Å; Q302-K310 VanDerWaalsContact CB-O 3.29Å; Q302-K310 WeakPolarHBondContact CB-O 3.42Å; F303-K310 HydrophobicContact CD1-CB 4.21Å; F303-K310 WeakPolarHBondContact CD1-O 3.45Å; F303-K310 HydrophobicContact CE1-CB 3.74Å; F303-K310 HydrophobicContact CZ-CB 4Å; F303-K310 HydrophobicContact CZ-CD 4.29Å; F303-K310 PolarHBondContact N-O 3.48Å; F303-K310 PolarHBondContact O-N 3.1Å; D305-K310 HydrophobicContact CB-CD 3.88Å; D305-K310 HydrophobicContact CB-CG 4.34Å; D305-K310 VanDerWaalsContact OD2-CE 3.23Å; D305-K310 WeakPolarHBondContact OD2-CE 3.43Å; D305-K310 IonicContact OD2-NZ 2.63Å; D305-K310 PolarHBondContact OD2-NZ 3.14Å; K308-K310 PolarHBondContact O-N 3.12Å
311D91.9Very high90.7Very high56 Ų5667 Ų6730%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-73143179.4-65.5-18.9000110.9R300 W301 Q302R300-D311 IonicContact CZ-OD1 2.66Å; R300-D311 VanDerWaalsContact CZ-OD1 3.3Å; R300-D311 IonicContact CZ-OD2 2.86Å; R300-D311 IonicContact NE-OD1 3.67Å; R300-D311 PolarHBondContact NE-OD1 3.12Å; R300-D311 IonicContact NE-OD2 3.81Å; R300-D311 PolarHBondContact NE-OD2 3.48Å; R300-D311 VanDerWaalsContact NH2-CG 3.3Å; R300-D311 IonicContact NH2-OD1 3.08Å; R300-D311 PolarHBondContact NH2-OD1 3.17Å; R300-D311 IonicContact NH2-OD2 3.34Å; R300-D311 PolarHBondContact NH2-OD2 2.92Å; W301-D311 WeakPolarHBondContact O-CA 3.26Å; Q302-D311 WeakPolarHBondContact CG-OD1 3.4Å; Q302-D311 PolarHBondContact NE2-OD1 3.34Å
312L89.4Confident90.7Very high4 Ų467.7 Ų67.72%0.02133%0.327CS..PPolyproline II helixtrans-83.4139.5169.1-74.5165.4000109.7W301 F303 I318 L344 Y351W301-L312 HydrophobicContact CB-CB 4.28Å; W301-L312 HydrophobicContact CB-CD1 4.18Å; W301-L312 PolarHBondContact O-N 3.47Å; F303-L312 HydrophobicContact CB-CD2 4.36Å; F303-L312 HydrophobicContact CB-CG 4.48Å; F303-L312 HydrophobicContact CD1-CD2 3.56Å; F303-L312 HydrophobicContact CD1-CG 3.85Å; F303-L312 HydrophobicContact CE1-CD2 4.16Å; F303-L312 HydrophobicContact CG-CD2 4.2Å; L312-I318 HydrophobicContact CB-CD1 3.8Å; L312-I318 HydrophobicContact CD1-CD1 4.21Å; L312-L344 HydrophobicContact CD1-CD1 4.08Å; L312-L344 HydrophobicContact CD1-CD2 4.09Å; L312-Y351 HydrophobicContact CD2-CD1 3.84Å; L312-Y351 HydrophobicContact CD2-CD2 4.07Å; L312-Y351 HydrophobicContact CD2-CE1 3.82Å; L312-Y351 HydrophobicContact CD2-CE2 4.09Å; L312-Y351 HydrophobicContact CD2-CG 3.95Å
313D85.1Confident90.6Very high134 Ų13467.9 Ų67.972%0.71733%0.329SS*.THydrogen-bonded Turntrans-68.9158.6173.7-65.6-39.8000111.4M315 I318D313-M315 PolarHBondContact O-N 2.79Å; D313-I318 WeakPolarHBondContact O-CD1 3.43Å
314K84.7Confident90.6Very high138 Ų13869 Ų6960%0.634%0.337SS*.THydrogen-bonded Turntrans51.240.7178.5-55.4179.1-178.1176.80113.1E316 L317 I318K314-E316 PolarHBondContact O-N 3.22Å; K314-E316 VanDerWaalsContact O-N 3.11Å; K314-L317 HydrophobicContact CB-CD1 4.09Å; K314-L317 HydrophobicContact CB-CG 4.42Å; K314-L317 HydrophobicContact CD-CD1 4.04Å; K314-L317 WeakPolarHBondContact O-CB 3.37Å; K314-L317 PolarHBondContact O-N 3.18Å; K314-I318 PolarHBondContact O-N 3.19Å
315M92.1Very high90.6Very high21 Ų2167.2 Ų67.210%0.10333%0.328CS..Hα-helixtrans-61.8-21.2-173.768.4-17474.800114.5F295 L297 W301 D313 I318 E319F295-M315 HydrophobicContact CE1-SD 3.56Å; F295-M315 VanDerWaalsContact CE1-SD 3.56Å; F295-M315 HydrophobicContact CZ-CE 3.81Å; F295-M315 HydrophobicContact CZ-SD 3.41Å; F295-M315 WeakPolarHBondContact CZ-SD 3.46Å; L297-M315 HydrophobicContact CD1-CG 4.32Å; L297-M315 HydrophobicContact CD1-SD 4.24Å; W301-M315 HydrophobicContact CB-CB 4.31Å; D313-M315 PolarHBondContact O-N 2.79Å; M315-I318 PolarHBondContact O-N 3.47Å; M315-E319 VanDerWaalsContact O-CB 3.3Å; M315-E319 WeakPolarHBondContact O-CB 3.31Å; M315-E319 PolarHBondContact O-N 2.88Å
316E91.6Very high90.8Very high59 Ų5972.1 Ų72.128%0.27635%0.347SS..Hα-helixtrans-66.2-45.7173.9-56.680.1-179.800110.7L297 K314 I318 E319 E320 P465L297-E316 HydrophobicContact CD1-CG 4.27Å; K314-E316 PolarHBondContact O-N 3.22Å; K314-E316 VanDerWaalsContact O-N 3.11Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 3.17Å; E316-E319 PolarHBondContact O-N 3.46Å; E316-E320 WeakPolarHBondContact O-CB 3.23Å; E316-E320 PolarHBondContact O-N 3.02Å; E316-P465 HydrophobicContact CG-CG 3.64Å
317L90.8Very high91Very high94 Ų9463.6 Ų63.649%0.49232%0.319SS..Hα-helixtrans-65.9-38.1175.5-61.6-179.5000111K314 A321K314-L317 HydrophobicContact CB-CD1 4.09Å; K314-L317 HydrophobicContact CB-CG 4.42Å; K314-L317 HydrophobicContact CD-CD1 4.04Å; K314-L317 WeakPolarHBondContact O-CB 3.37Å; K314-L317 PolarHBondContact O-N 3.18Å; L317-A321 VanDerWaalsContact O-CB 3.29Å; L317-A321 WeakPolarHBondContact O-CB 3.45Å; L317-A321 PolarHBondContact O-N 2.88Å
318I93.4Very high91.2Very high3 Ų363.9 Ų63.92%0.01531%0.305CS..Hα-helixtrans-62.9-46.9175.3-64.5175.1000110.4W301 L312 D313 K314 M315 E316 A321 Y322 I330 L344 F346W301-I318 HydrophobicContact CD2-CG2 3.6Å; W301-I318 HydrophobicContact CE3-CG2 4.12Å; W301-I318 HydrophobicContact CG-CB 4.49Å; W301-I318 HydrophobicContact CG-CG2 3.78Å; W301-I318 HydrophobicContact CZ2-CG2 4.09Å; L312-I318 HydrophobicContact CB-CD1 3.8Å; L312-I318 HydrophobicContact CD1-CD1 4.21Å; D313-I318 WeakPolarHBondContact O-CD1 3.43Å; K314-I318 PolarHBondContact O-N 3.19Å; M315-I318 PolarHBondContact O-N 3.47Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 3.17Å; I318-A321 PolarHBondContact O-N 3.07Å; I318-Y322 WeakPolarHBondContact O-CB 3.42Å; I318-Y322 PolarHBondContact O-N 3.43Å; I318-I330 HydrophobicContact CG1-CG2 4.29Å; I318-L344 HydrophobicContact CB-CD2 4.49Å; I318-L344 HydrophobicContact CD1-CD2 4.25Å; I318-L344 HydrophobicContact CG1-CD2 4.43Å; I318-L344 HydrophobicContact CG2-CD2 3.31Å; I318-F346 HydrophobicContact CG2-CE1 3.93Å; I318-F346 HydrophobicContact CG2-CZ 4.35Å
319E94.9Very high91.3Very high1 Ų164.1 Ų64.11%0.00530%0.302CS..Hα-helixtrans-64.1-47.3178.9-177.974.7-179.500111.4Y299 W301 M315 E316 A321 Y322 C323 R358 Y462Y299-E319 HydrophobicContact CD1-CB 4.45Å; Y299-E319 HydrophobicContact CD1-CG 3.6Å; Y299-E319 HydrophobicContact CD2-CB 3.69Å; Y299-E319 HydrophobicContact CD2-CG 3.72Å; Y299-E319 HydrophobicContact CE1-CB 4.35Å; Y299-E319 HydrophobicContact CE1-CG 3.64Å; Y299-E319 HydrophobicContact CE2-CB 3.53Å; Y299-E319 HydrophobicContact CE2-CG 3.74Å; Y299-E319 HydrophobicContact CG-CB 4.16Å; Y299-E319 HydrophobicContact CG-CG 3.64Å; W301-E319 PolarHBondContact NE1-OE2 3.43Å; M315-E319 VanDerWaalsContact O-CB 3.3Å; M315-E319 WeakPolarHBondContact O-CB 3.31Å; M315-E319 PolarHBondContact O-N 2.88Å; E316-E319 PolarHBondContact O-N 3.46Å; E319-A321 VanDerWaalsContact C-N 3.28Å; E319-A321 PolarHBondContact O-N 2.73Å; E319-Y322 PolarHBondContact O-N 2.95Å; E319-Y322 VanDerWaalsContact O-N 3.11Å; E319-C323 WeakPolarHBondContact O-CB 3.09Å; E319-C323 PolarHBondContact O-N 2.71Å; E319-C323 PolarHBondContact O-SG 3Å; E319-R358 IonicContact OE1-CZ 3.28Å; E319-R358 VanDerWaalsContact OE1-CZ 3.24Å; E319-R358 IonicContact OE1-NE 3.76Å; E319-R358 PolarHBondContact OE1-NE 3.1Å; E319-R358 VanDerWaalsContact OE1-NE 3.11Å; E319-R358 IonicContact OE1-NH2 3.72Å; E319-R358 PolarHBondContact OE1-NH2 2.83Å; E319-R358 IonicContact OE2-CZ 3.11Å; E319-R358 IonicContact OE2-NE 3.81Å; E319-R358 PolarHBondContact OE2-NE 3.11Å; E319-R358 IonicContact OE2-NH2 3.9Å; E319-Y462 HydrophobicContact CB-CD2 4.27Å; E319-Y462 HydrophobicContact CB-CE2 4.07Å; E319-Y462 HydrophobicContact CG-CD2 3.71Å; E319-Y462 HydrophobicContact CG-CE2 3.95Å
320E93.8Very high91.2Very high103 Ų10362.1 Ų62.148%0.48130%0.296SS..Hα-helixtrans-57.8-43.1178.3-174.1172-170.200111.4E316 C323 Y462E316-E320 WeakPolarHBondContact O-CB 3.23Å; E316-E320 PolarHBondContact O-N 3.02Å; E320-C323 PolarHBondContact O-N 3.01Å; E320-Y462 HydrophobicContact CB-CD1 4.38Å; E320-Y462 HydrophobicContact CB-CD2 4.09Å; E320-Y462 HydrophobicContact CB-CE1 4.11Å; E320-Y462 HydrophobicContact CB-CE2 3.84Å; E320-Y462 HydrophobicContact CB-CG 4.37Å; E320-Y462 HydrophobicContact CG-CD1 4.2Å; E320-Y462 HydrophobicContact CG-CE1 4.1Å; E320-Y462 HydrophobicContact CG-CG 4.49Å
321A93.8Very high90.9Very high11 Ų1161.7 Ų61.79%0.09130%0.299CS..Hα-helixtrans-64.8-44.217400000112.2L317 I318 E319 C323 N324 I327 I330 F346L317-A321 VanDerWaalsContact O-CB 3.29Å; L317-A321 WeakPolarHBondContact O-CB 3.45Å; L317-A321 PolarHBondContact O-N 2.88Å; I318-A321 PolarHBondContact O-N 3.07Å; E319-A321 VanDerWaalsContact C-N 3.28Å; E319-A321 PolarHBondContact O-N 2.73Å; A321-C323 VanDerWaalsContact C-N 3.33Å; A321-C323 PolarHBondContact O-N 3.35Å; A321-N324 PolarHBondContact O-N 2.99Å; A321-I327 HydrophobicContact CB-CD1 4.22Å; A321-I327 HydrophobicContact CB-CG2 4.18Å; A321-I327 WeakPolarHBondContact O-CB 3.39Å; A321-I330 HydrophobicContact CB-CB 4.38Å; A321-I330 HydrophobicContact CB-CD1 3.75Å; A321-I330 HydrophobicContact CB-CG1 4.48Å; A321-F346 HydrophobicContact CB-CE2 4.05Å; A321-F346 HydrophobicContact CB-CZ 3.98Å
322Y94.6Very high90Very high15 Ų1560.2 Ų60.26%0.05929%0.292CS..Hα-helixtrans-61.6-40.9177.9179.6-119.7000111.9W301 I318 E319 N324 F346 M349 R459 P460W301-Y322 HydrophobicContact CH2-CD1 4.09Å; W301-Y322 AromaticContact CH2-CD2 3.93Å; W301-Y322 HydrophobicContact CH2-CD2 3.93Å; W301-Y322 HydrophobicContact CH2-CE1 4.45Å; W301-Y322 HydrophobicContact CH2-CE2 4.32Å; W301-Y322 AromaticContact CH2-CG 3.8Å; W301-Y322 HydrophobicContact CH2-CG 3.8Å; W301-Y322 AromaticContact CZ2-CD1 3.61Å; W301-Y322 HydrophobicContact CZ2-CD1 3.61Å; W301-Y322 HydrophobicContact CZ2-CD2 4.15Å; W301-Y322 HydrophobicContact CZ2-CE1 4.27Å; W301-Y322 AromaticContact CZ2-CG 3.52Å; W301-Y322 HydrophobicContact CZ2-CG 3.52Å; I318-Y322 WeakPolarHBondContact O-CB 3.42Å; I318-Y322 PolarHBondContact O-N 3.43Å; E319-Y322 PolarHBondContact O-N 2.95Å; E319-Y322 VanDerWaalsContact O-N 3.11Å; Y322-N324 PolarHBondContact O-N 2.91Å; Y322-N324 VanDerWaalsContact O-N 3.13Å; Y322-F346 HydrophobicContact CD2-CB 3.73Å; Y322-F346 AromaticContact CD2-CD1 3.65Å; Y322-F346 HydrophobicContact CD2-CD1 3.65Å; Y322-F346 HydrophobicContact CD2-CD2 4.08Å; Y322-F346 HydrophobicContact CD2-CE1 4.22Å; Y322-F346 AromaticContact CD2-CG 3.57Å; Y322-F346 HydrophobicContact CD2-CG 3.57Å; Y322-F346 HydrophobicContact CE2-CB 4Å; Y322-F346 HydrophobicContact CE2-CD1 4.48Å; Y322-F346 HydrophobicContact CE2-CG 4.33Å; Y322-F346 HydrophobicContact CG-CD1 4.27Å; Y322-F346 HydrophobicContact CG-CE1 4.42Å; Y322-F346 HydrophobicContact CG-CG 4.48Å; Y322-M349 HydrophobicContact CE2-CE 4.15Å; Y322-R459 WeakPolarHBondContact O-CD 3.39Å; Y322-R459 WeakPolarHBondContact O-CG 3.26Å; Y322-R459 PolarHBondContact O-NE 3.34Å; Y322-P460 HydrophobicContact CD1-CG 3.81Å; Y322-P460 HydrophobicContact CE1-CG 3.82Å
323C93.7Very high88.8Confident14 Ų1461.4 Ų61.410%0.09530%0.301CS..Hα-helixtrans-58.4-24.4177.8-71.10000113.4E319 E320 A321 P325 P460 Y462E319-C323 WeakPolarHBondContact O-CB 3.09Å; E319-C323 PolarHBondContact O-N 2.71Å; E319-C323 PolarHBondContact O-SG 3Å; E320-C323 PolarHBondContact O-N 3.01Å; A321-C323 VanDerWaalsContact C-N 3.33Å; A321-C323 PolarHBondContact O-N 3.35Å; C323-P325 WeakPolarHBondContact O-CD 3.39Å; C323-P460 WeakPolarHBondContact CB-O 3.06Å; C323-P460 PolarHBondContact SG-O 3.34Å; C323-Y462 WeakPolarHBondContact SG-CA 3.42Å; C323-Y462 VanDerWaalsContact SG-CB 3.59Å; C323-Y462 PolarHBondContact SG-N 3.48Å; C323-Y462 VanDerWaalsContact SG-N 3.42Å
324N91.6Very high87.2Confident64 Ų6463.6 Ų63.634%0.34231%0.307SS..SBendtrans-87.7115177.4-172.1-18.4000111A321 Y322 K326 I327A321-N324 PolarHBondContact O-N 2.99Å; Y322-N324 PolarHBondContact O-N 2.91Å; Y322-N324 VanDerWaalsContact O-N 3.13Å; N324-K326 PolarHBondContact O-N 3.02Å; N324-K326 VanDerWaalsContact O-N 3.07Å; N324-K326 WeakPolarHBondContact OD1-CB 3.5Å; N324-K326 PolarHBondContact OD1-N 3.45Å; N324-I327 HydrophobicContact CB-CD1 3.95Å; N324-I327 HydrophobicContact CB-CG1 4.08Å; N324-I327 PolarHBondContact O-N 3.35Å
325P91.8Very high85.2Confident11 Ų1159.9 Ų59.97%0.07130%0.298CS..THydrogen-bonded Turntrans-66.4-13.9-178.429.7-37.4000113.7C323 I327 Y380 W388 C457 R459C323-P325 WeakPolarHBondContact O-CD 3.39Å; P325-I327 VanDerWaalsContact C-N 3.28Å; P325-Y380 HydrophobicContact CB-CD2 4.15Å; P325-Y380 HydrophobicContact CB-CG 4.31Å; P325-Y380 HydrophobicContact CG-CD1 4.15Å; P325-Y380 HydrophobicContact CG-CD2 4.1Å; P325-Y380 HydrophobicContact CG-CE1 4.24Å; P325-Y380 HydrophobicContact CG-CE2 4.19Å; P325-Y380 HydrophobicContact CG-CG 4.07Å; P325-W388 HydrophobicContact CB-CB 4.15Å; P325-W388 HydrophobicContact CB-CD2 4Å; P325-W388 HydrophobicContact CB-CG 3.7Å; P325-W388 HydrophobicContact CG-CB 3.72Å; P325-W388 HydrophobicContact CG-CG 3.78Å; P325-W388 PolarHBondContact O-NE1 3.14Å; P325-C457 HydrophobicContact CB-CB 4.43Å; P325-R459 HydrophobicContact CB-CG 4.23Å
326K90.4Very high83Confident146 Ų14663.9 Ų63.964%0.63534%0.335SS*.THydrogen-bonded Turntrans-77.1-13.9174.2-62.2-178.3179.2-175.80113.2N324N324-K326 PolarHBondContact O-N 3.02Å; N324-K326 VanDerWaalsContact O-N 3.07Å; N324-K326 WeakPolarHBondContact OD1-CB 3.5Å; N324-K326 PolarHBondContact OD1-N 3.45Å
327I90.2Very high80.9Confident57 Ų5768.8 Ų68.829%0.29236%0.363SS..  trans-106.5118.6-177.4-54.1177.5000108.2A321 N324 P325 R329 F346A321-I327 HydrophobicContact CB-CD1 4.22Å; A321-I327 HydrophobicContact CB-CG2 4.18Å; A321-I327 WeakPolarHBondContact O-CB 3.39Å; N324-I327 HydrophobicContact CB-CD1 3.95Å; N324-I327 HydrophobicContact CB-CG1 4.08Å; N324-I327 PolarHBondContact O-N 3.35Å; P325-I327 VanDerWaalsContact C-N 3.28Å; I327-R329 VanDerWaalsContact CG2-O 3.28Å; I327-R329 WeakPolarHBondContact CG2-O 3.38Å; I327-F346 HydrophobicContact CG2-CE2 3.97Å; I327-F346 WeakPolarHBondContact O-CD2 3.31Å
328D88.6Confident78.6Confident72 Ų7269 Ų6939%0.38537%0.368SS..  trans-102.2-15.3178.8-73.2-38.2000112.9F346 N347 R459D328-F346 WeakPolarHBondContact O-CB 3.19Å; D328-F346 PolarHBondContact O-N 3.22Å; D328-N347 PolarHBondContact OD1-ND2 2.94Å; D328-R459 IonicContact OD1-NH2 3.79Å
329R90.5Very high76.3Confident163 Ų16379.1 Ų79.162%0.61541%0.412SS*.EExtended strand (participates in β ladder)trans-154.4153-177.468.5-179.571.8-168.73.1112.3I327 L344I327-R329 VanDerWaalsContact CG2-O 3.28Å; I327-R329 WeakPolarHBondContact CG2-O 3.38Å; R329-L344 CarbonylContact C-O 3.6Å; R329-L344 WeakPolarHBondContact CA-O 3.32Å; R329-L344 WeakPolarHBondContact CB-O 3.4Å
330I90.1Very high74.2Confident37 Ų3785.8 Ų85.819%0.1944%0.443CS..EExtended strand (participates in β ladder)trans-136148.5174.8-170.7174.2000110.4I318 A321 C343 L344 F346I318-I330 HydrophobicContact CG1-CG2 4.29Å; A321-I330 HydrophobicContact CB-CB 4.38Å; A321-I330 HydrophobicContact CB-CD1 3.75Å; A321-I330 HydrophobicContact CB-CG1 4.48Å; I330-C343 WeakPolarHBondContact O-CA 3.35Å; I330-C343 PolarHBondContact O-SG 3.09Å; I330-L344 HydrophobicContact CG2-CB 3.96Å; I330-L344 HydrophobicContact CG2-CD2 4.16Å; I330-L344 PolarHBondContact N-O 3.1Å; I330-L344 PolarHBondContact O-N 2.9Å; I330-F346 HydrophobicContact CB-CZ 4.17Å; I330-F346 HydrophobicContact CG2-CE1 4.1Å; I330-F346 HydrophobicContact CG2-CE2 4.4Å; I330-F346 HydrophobicContact CG2-CZ 3.61Å
331L85.5Confident72.5Confident93 Ų9384.9 Ų84.949%0.48745%0.448SS..EExtended strand (participates in β ladder)trans-86.1123.3172.2-151.387000109.1C343L331-C343 HydrophobicContact CD1-CB 4.46Å
332C72.4Confident71.4Confident24 Ų2487.2 Ų87.216%0.16246%0.459CS..  trans-103.6-13.4-175.4-51.50000114.3D342 L344 Y351C332-D342 PolarHBondContact N-O 3.46Å; C332-L344 VanDerWaalsContact SG-CB 3.56Å; C332-Y351 HydrophobicContact CB-CE2 3.63Å
333S64.4Low71Confident30 Ų3088.3 Ų88.321%0.2147%0.469CS..  trans-134.2127.1-179-176.70000112.6S335S333-S335 PolarHBondContact OG-N 2.83Å; S333-S335 PolarHBondContact OG-OG 3.36Å
334E52.4Low70.9Confident180 Ų18087.7 Ų87.784%0.84146%0.464SS*.  trans-112.281.1158.1-72-178.7175.700106.7
335S43.4Very low70.9Confident60 Ų6086.5 Ų86.542%0.4246%0.458SS..  trans-95.7114.3171.130.80000108.6S333 N337S333-S335 PolarHBondContact OG-N 2.83Å; S333-S335 PolarHBondContact OG-OG 3.36Å; S335-N337 PolarHBondContact O-N 3.43Å
336A45.3Very low70.9Confident105 Ų10586.1 Ų86.187%0.86846%0.455SS*.THydrogen-bonded Turntrans-66.315.4-173.700000115.5
337N46.2Very low70.7Confident161 Ų16183.8 Ų83.886%0.86145%0.45SS*.THydrogen-bonded Turntrans-144.514.7-175.7-101.6-9.4000116.3S335S335-N337 PolarHBondContact O-N 3.43Å
338T43.2Very low70.6Confident98 Ų9883.9 Ų83.960%0.60146%0.459SS*.  trans-150.7129.2170.2120000110.4H340T338-H340 PolarHBondContact O-N 3.35Å
339F46.3Very low70.7Confident217 Ų21783.4 Ų83.495%0.95246%0.455SS*.SBendtrans-64.822.4-176.3-84.2-91.2000115.9
340H49.8Very low70.8Confident140 Ų14077.8 Ų77.865%0.64844%0.439SS*.  trans-113.297.6178.9-71.8-65.9000110.4T338 D342T338-H340 PolarHBondContact O-N 3.35Å; H340-D342 PolarHBondContact O-N 2.97Å
341S57.4Low70.7Confident84 Ų8477.3 Ų77.359%0.58744%0.435SS*.  trans-80.495167.3-47.80000109C343S341-C343 PolarHBondContact O-N 2.75Å
342D72.3Confident70.7Confident61 Ų6174.7 Ų74.733%0.32643%0.431SS..  trans-73120.1178.5-72.1-40.9000110.6C332 H340 Y351C332-D342 PolarHBondContact N-O 3.46Å; H340-D342 PolarHBondContact O-N 2.97Å; D342-Y351 HydrophobicContact CB-CD2 4.33Å; D342-Y351 HydrophobicContact CB-CE1 4Å; D342-Y351 HydrophobicContact CB-CE2 3.56Å; D342-Y351 WeakPolarHBondContact CB-OH 3.36Å; D342-Y351 WeakPolarHBondContact O-CE2 3.25Å
343C86.1Confident71.2Confident38 Ų3878.8 Ų78.826%0.25747%0.466SS..EExtended strand (participates in β ladder)trans-106.2135-177.7-178.30000110.1I330 L331 S341 G352I330-C343 WeakPolarHBondContact O-CA 3.35Å; I330-C343 PolarHBondContact O-SG 3.09Å; L331-C343 HydrophobicContact CD1-CB 4.46Å; S341-C343 PolarHBondContact O-N 2.75Å; C343-G352 PolarHBondContact O-N 2.81Å
344L90.8Very high72.4Confident0 Ų079.7 Ų79.70%047%0.47CS..EExtended strand (participates in β ladder)trans-91.4119.5172.4-179.670.6000109.4W301 L312 I318 R329 I330 C332 F346 T350 Y351 A356W301-L344 HydrophobicContact CE3-CD2 3.99Å; W301-L344 HydrophobicContact CZ3-CD2 4.06Å; L312-L344 HydrophobicContact CD1-CD1 4.08Å; L312-L344 HydrophobicContact CD1-CD2 4.09Å; I318-L344 HydrophobicContact CB-CD2 4.49Å; I318-L344 HydrophobicContact CD1-CD2 4.25Å; I318-L344 HydrophobicContact CG1-CD2 4.43Å; I318-L344 HydrophobicContact CG2-CD2 3.31Å; R329-L344 CarbonylContact C-O 3.6Å; R329-L344 WeakPolarHBondContact CA-O 3.32Å; R329-L344 WeakPolarHBondContact CB-O 3.4Å; I330-L344 HydrophobicContact CG2-CB 3.96Å; I330-L344 HydrophobicContact CG2-CD2 4.16Å; I330-L344 PolarHBondContact N-O 3.1Å; I330-L344 PolarHBondContact O-N 2.9Å; C332-L344 VanDerWaalsContact SG-CB 3.56Å; L344-F346 HydrophobicContact CD2-CD1 4.2Å; L344-F346 HydrophobicContact CD2-CE1 3.63Å; L344-F346 HydrophobicContact CG-CD1 4.28Å; L344-F346 HydrophobicContact CG-CE1 4.1Å; L344-T350 CarbonylContact C-O 3.4Å; L344-T350 WeakPolarHBondContact CA-O 3.47Å; L344-Y351 HydrophobicContact CB-CD2 4.06Å; L344-A356 HydrophobicContact CD1-CB 3.43Å; L344-A356 VanDerWaalsContact CD1-CB 3.43Å
345N91.1Very high74.3Confident39 Ų3976.9 Ų76.921%0.20946%0.457CS..EExtended strand (participates in β ladder)trans-100117.2175.9-176.3-40000110.1N347 A348 M349 T350N345-N347 PolarHBondContact OD1-N 2.95Å; N345-A348 HydrophobicContact CB-CB 4.29Å; N345-A348 PolarHBondContact OD1-N 2.91Å; N345-M349 WeakPolarHBondContact O-CA 3.49Å; N345-M349 PolarHBondContact O-N 3.16Å; N345-T350 PolarHBondContact N-O 3.27Å; N345-T350 PolarHBondContact O-N 2.93Å
346F92.1Very high76.6Confident3 Ų374.3 Ų74.31%0.01344%0.44CS..THydrogen-bonded Turntrans-73.7-28.8-175.1-62.3-44000114W301 I318 A321 Y322 I327 D328 I330 L344W301-F346 AromaticContact CH2-CD1 3.76Å; W301-F346 HydrophobicContact CH2-CD1 3.76Å; W301-F346 AromaticContact CH2-CE1 3.89Å; W301-F346 HydrophobicContact CH2-CE1 3.89Å; W301-F346 HydrophobicContact CZ2-CD1 4.49Å; W301-F346 HydrophobicContact CZ2-CE1 4.25Å; W301-F346 HydrophobicContact CZ3-CD1 4.26Å; W301-F346 HydrophobicContact CZ3-CE1 4.4Å; I318-F346 HydrophobicContact CG2-CE1 3.93Å; I318-F346 HydrophobicContact CG2-CZ 4.35Å; A321-F346 HydrophobicContact CB-CE2 4.05Å; A321-F346 HydrophobicContact CB-CZ 3.98Å; Y322-F346 HydrophobicContact CD2-CB 3.73Å; Y322-F346 AromaticContact CD2-CD1 3.65Å; Y322-F346 HydrophobicContact CD2-CD1 3.65Å; Y322-F346 HydrophobicContact CD2-CD2 4.08Å; Y322-F346 HydrophobicContact CD2-CE1 4.22Å; Y322-F346 AromaticContact CD2-CG 3.57Å; Y322-F346 HydrophobicContact CD2-CG 3.57Å; Y322-F346 HydrophobicContact CE2-CB 4Å; Y322-F346 HydrophobicContact CE2-CD1 4.48Å; Y322-F346 HydrophobicContact CE2-CG 4.33Å; Y322-F346 HydrophobicContact CG-CD1 4.27Å; Y322-F346 HydrophobicContact CG-CE1 4.42Å; Y322-F346 HydrophobicContact CG-CG 4.48Å; I327-F346 HydrophobicContact CG2-CE2 3.97Å; I327-F346 WeakPolarHBondContact O-CD2 3.31Å; D328-F346 WeakPolarHBondContact O-CB 3.19Å; D328-F346 PolarHBondContact O-N 3.22Å; I330-F346 HydrophobicContact CB-CZ 4.17Å; I330-F346 HydrophobicContact CG2-CE1 4.1Å; I330-F346 HydrophobicContact CG2-CE2 4.4Å; I330-F346 HydrophobicContact CG2-CZ 3.61Å; L344-F346 HydrophobicContact CD2-CD1 4.2Å; L344-F346 HydrophobicContact CD2-CE1 3.63Å; L344-F346 HydrophobicContact CG-CD1 4.28Å; L344-F346 HydrophobicContact CG-CE1 4.1Å
347N86.9Confident78.9Confident98 Ų9871.4 Ų71.452%0.52441%0.406SS..THydrogen-bonded Turntrans-80.5-39.3-178.9-65.5-29.4000111.2D328 N345 R459D328-N347 PolarHBondContact OD1-ND2 2.94Å; N345-N347 PolarHBondContact OD1-N 2.95Å; N347-R459 PolarHBondContact OD1-NH2 3.43Å
348A87.6Confident81.2Confident59 Ų5965.2 Ų65.249%0.48837%0.371SS..THydrogen-bonded Turntrans-84.5-13.3177.100000113.2N345 T350N345-A348 HydrophobicContact CB-CB 4.29Å; N345-A348 PolarHBondContact OD1-N 2.91Å; A348-T350 VanDerWaalsContact C-N 3.34Å; A348-T350 HydrophobicContact CB-CG2 4.29Å; A348-T350 WeakPolarHBondContact CB-OG1 3.29Å; A348-T350 PolarHBondContact O-N 3.33Å
349M91.6Very high83.6Confident62 Ų6261 Ų6131%0.30535%0.345SS..THydrogen-bonded Turntrans50.653.3-171.2-67.8-69.4-177.700111.4W301 Y322 N345 A356W301-M349 HydrophobicContact CZ3-SD 4.25Å; Y322-M349 HydrophobicContact CE2-CE 4.15Å; N345-M349 WeakPolarHBondContact O-CA 3.49Å; N345-M349 PolarHBondContact O-N 3.16Å; M349-A356 PolarHBondContact O-N 3.49Å
350T91.4Very high85.9Confident44 Ų4451.9 Ų51.927%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-131.7144.1-178.347.10000111.6L344 N345 A348 T354L344-T350 CarbonylContact C-O 3.4Å; L344-T350 WeakPolarHBondContact CA-O 3.47Å; N345-T350 PolarHBondContact N-O 3.27Å; N345-T350 PolarHBondContact O-N 2.93Å; A348-T350 VanDerWaalsContact C-N 3.34Å; A348-T350 HydrophobicContact CB-CG2 4.29Å; A348-T350 WeakPolarHBondContact CB-OG1 3.29Å; A348-T350 PolarHBondContact O-N 3.33Å; T350-T354 CarbonylContact C-O 3.58Å; T350-T354 VanDerWaalsContact CA-O 3.26Å; T350-T354 WeakPolarHBondContact CA-O 3.34Å; T350-T354 WeakPolarHBondContact CB-O 3.4Å
351Y87.8Confident87.9Confident28 Ų2845.3 Ų45.311%0.1128%0.278CS..EExtended strand (participates in β ladder)trans-119.6106.7174178.8-116.7000108.9F303 L312 C332 D342 L344 A353 T354F303-Y351 HydrophobicContact CB-CD1 4.08Å; F303-Y351 HydrophobicContact CB-CG 4.48Å; F303-Y351 HydrophobicContact CD1-CD1 4.49Å; F303-Y351 HydrophobicContact CD2-CD1 4.1Å; F303-Y351 AromaticContact CG-CD1 3.98Å; F303-Y351 HydrophobicContact CG-CD1 3.98Å; L312-Y351 HydrophobicContact CD2-CD1 3.84Å; L312-Y351 HydrophobicContact CD2-CD2 4.07Å; L312-Y351 HydrophobicContact CD2-CE1 3.82Å; L312-Y351 HydrophobicContact CD2-CE2 4.09Å; L312-Y351 HydrophobicContact CD2-CG 3.95Å; C332-Y351 HydrophobicContact CB-CE2 3.63Å; D342-Y351 HydrophobicContact CB-CD2 4.33Å; D342-Y351 HydrophobicContact CB-CE1 4Å; D342-Y351 HydrophobicContact CB-CE2 3.56Å; D342-Y351 WeakPolarHBondContact CB-OH 3.36Å; D342-Y351 WeakPolarHBondContact O-CE2 3.25Å; L344-Y351 HydrophobicContact CB-CD2 4.06Å; Y351-A353 PolarHBondContact O-N 2.79Å; Y351-T354 PolarHBondContact N-O 2.88Å; Y351-T354 PolarHBondContact O-N 2.79Å; Y351-T354 PolarHBondContact O-OG1 2.85Å
352G85.6Confident89.4Confident38 Ų3841.4 Ų41.439%0.39225%0.25SS..THydrogen-bonded Turntrans57-120.4-167.400000110.8C343C343-G352 PolarHBondContact O-N 2.81Å
353A84Confident90.2Very high110 Ų11039 Ų3991%0.90924%0.238SC*.THydrogen-bonded Turntrans-920.6174.800000114.4Y351Y351-A353 PolarHBondContact O-N 2.79Å
354T89.3Confident90.2Very high48 Ų4838.4 Ų38.429%0.29424%0.236SC..EExtended strand (participates in β ladder)trans-104157.1-173.866.80000112.6T350 Y351T350-T354 CarbonylContact C-O 3.58Å; T350-T354 VanDerWaalsContact CA-O 3.26Å; T350-T354 WeakPolarHBondContact CA-O 3.34Å; T350-T354 WeakPolarHBondContact CB-O 3.4Å; Y351-T354 PolarHBondContact N-O 2.88Å; Y351-T354 PolarHBondContact O-N 2.79Å; Y351-T354 PolarHBondContact O-OG1 2.85Å
355Q92.2Very high89.9Confident121 Ų12140.4 Ų40.457%0.56525%0.248SC*.EExtended strand (participates in β ladder)trans-72.8140.2173.6-73-173.7-33.100110.8F303 L304 W309F303-Q355 CarbonylContact C-O 3.52Å; F303-Q355 VanDerWaalsContact CA-O 3.26Å; F303-Q355 WeakPolarHBondContact CA-O 3.36Å; L304-Q355 HydrophobicContact CB-CB 4.17Å; L304-Q355 PolarHBondContact N-O 2.88Å; W309-Q355 HydrophobicContact CH2-CB 4.3Å
356A92.5Very high89.3Confident7 Ų741.9 Ų41.96%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-116.9155.8171.900000110.8Q302 L344 M349Q302-A356 CarbonylContact O-C 3.57Å; Q302-A356 WeakPolarHBondContact O-CA 3.14Å; L344-A356 HydrophobicContact CD1-CB 3.43Å; L344-A356 VanDerWaalsContact CD1-CB 3.43Å; M349-A356 PolarHBondContact O-N 3.49Å
357R93.8Very high88.3Confident44 Ų4445.1 Ų45.117%0.16627%0.273CS..EExtended strand (participates in β ladder)trans-144.1152.3172.972.6179.1-178166.35.4111.8D273 Q302 W309 L359D273-R357 IonicContact OD1-CZ 2.98Å; D273-R357 IonicContact OD1-NH1 3.73Å; D273-R357 PolarHBondContact OD1-NH1 2.69Å; D273-R357 IonicContact OD1-NH2 2.74Å; D273-R357 IonicContact OD2-NH1 3.78Å; D273-R357 PolarHBondContact OD2-NH1 2.96Å; Q302-R357 HydrophobicContact CB-CG 4.09Å; Q302-R357 PolarHBondContact N-O 2.97Å; Q302-R357 PolarHBondContact O-N 3.39Å; W309-R357 VanDerWaalsContact CD1-CZ 3.44Å; W309-R357 HydrophobicContact CD2-CG 4.17Å; W309-R357 HydrophobicContact CE3-CG 3.69Å; W309-R357 HydrophobicContact CH2-CB 3.95Å; W309-R357 HydrophobicContact CH2-CG 3.83Å; W309-R357 HydrophobicContact CZ2-CG 4.3Å; W309-R357 HydrophobicContact CZ3-CB 3.91Å; W309-R357 HydrophobicContact CZ3-CG 3.5Å; R357-L359 HydrophobicContact CG-CD2 4.35Å
358R93.3Very high86.6Confident30 Ų3043.3 Ų43.311%0.11327%0.266CS..EExtended strand (participates in β ladder)trans-112.5116.8170.6-177-175175.5-84.6-1.5109.8R300 W301 E319 S360R300-R358 WeakPolarHBondContact O-CA 3.21Å; W301-R358 HydrophobicContact CD2-CB 4.08Å; W301-R358 HydrophobicContact CD2-CG 4.22Å; W301-R358 HydrophobicContact CE3-CB 4.02Å; W301-R358 HydrophobicContact CH2-CB 3.93Å; W301-R358 HydrophobicContact CH2-CG 4.37Å; W301-R358 HydrophobicContact CZ2-CB 3.97Å; W301-R358 VanDerWaalsContact CZ2-CD 3.49Å; W301-R358 HydrophobicContact CZ2-CG 3.9Å; W301-R358 HydrophobicContact CZ3-CB 3.94Å; E319-R358 IonicContact OE1-CZ 3.28Å; E319-R358 VanDerWaalsContact OE1-CZ 3.24Å; E319-R358 IonicContact OE1-NE 3.76Å; E319-R358 PolarHBondContact OE1-NE 3.1Å; E319-R358 VanDerWaalsContact OE1-NE 3.11Å; E319-R358 IonicContact OE1-NH2 3.72Å; E319-R358 PolarHBondContact OE1-NH2 2.83Å; E319-R358 IonicContact OE2-CZ 3.11Å; E319-R358 IonicContact OE2-NE 3.81Å; E319-R358 PolarHBondContact OE2-NE 3.11Å; E319-R358 IonicContact OE2-NH2 3.9Å; R358-S360 PolarHBondContact NH1-OG 3.4Å
359L94.4Very high84.7Confident10 Ų1046.3 Ų46.35%0.05228%0.281CS..EExtended strand (participates in β ladder)trans-82.9148.4168.2-52.4-171000109.8D273 I275 V293 Y299 R300 R357D273-L359 HydrophobicContact CB-CD2 3.82Å; D273-L359 WeakPolarHBondContact O-CB 3.19Å; D273-L359 WeakPolarHBondContact O-CD2 3.45Å; I275-L359 HydrophobicContact CD1-CB 4.19Å; I275-L359 HydrophobicContact CG1-CB 4.08Å; V293-L359 HydrophobicContact CB-CD1 4.38Å; V293-L359 HydrophobicContact CG1-CD1 4.22Å; V293-L359 HydrophobicContact CG2-CD1 3.86Å; Y299-L359 VanDerWaalsContact CA-O 3.27Å; Y299-L359 WeakPolarHBondContact CA-O 3.3Å; R300-L359 HydrophobicContact CB-CB 4.14Å; R300-L359 PolarHBondContact N-O 3.37Å; R300-L359 VanDerWaalsContact N-O 3.13Å; R300-L359 PolarHBondContact O-N 2.97Å; R357-L359 HydrophobicContact CG-CD2 4.35Å
360S93.9Very high82.8Confident25 Ų2544.7 Ų44.718%0.17527%0.273CS..EExtended strand (participates in β ladder)trans-135.8158.1-174.9-43.40000110.9Q274 I275 R358Q274-S360 WeakPolarHBondContact CA-O 3.46Å; Q274-S360 VanDerWaalsContact CG-O 3.32Å; Q274-S360 WeakPolarHBondContact CG-O 3.43Å; I275-S360 PolarHBondContact N-O 2.98Å; R358-S360 PolarHBondContact NH1-OG 3.4Å
361T91.3Very high81.1Confident3 Ų344.5 Ų44.52%0.01827%0.268CS..PPolyproline II helixtrans-71.3173.5158.6550000111.2I275 L277 I280 P298 L373 T375I275-T361 HydrophobicContact CB-CG2 3.98Å; I275-T361 HydrophobicContact CG2-CG2 4.3Å; L277-T361 HydrophobicContact CD2-CG2 3.73Å; L277-T361 HydrophobicContact CG-CG2 4.37Å; I280-T361 HydrophobicContact CD1-CG2 3.28Å; P298-T361 HydrophobicContact CB-CG2 3.88Å; P298-T361 PolarHBondContact O-N 2.7Å; P298-T361 VanDerWaalsContact O-N 3.07Å; T361-L373 WeakPolarHBondContact CB-O 3.41Å; T361-L373 WeakPolarHBondContact CG2-O 3.45Å; T361-L373 PolarHBondContact OG1-O 2.91Å; T361-T375 PolarHBondContact N-OG1 3.03Å; T361-T375 PolarHBondContact O-OG1 2.96Å; T361-T375 PolarHBondContact OG1-N 2.83Å; T361-T375 PolarHBondContact OG1-OG1 3.12Å
362A89.3Confident80Confident1 Ų145 Ų451%0.00827%0.272CS..PPolyproline II helixtrans-57.8142.2176.700000111.9Q274 L277 K367 T374 T375Q274-A362 VanDerWaalsContact NE2-CA 3.26Å; L277-A362 HydrophobicContact CD1-CB 4.08Å; A362-K367 HydrophobicContact CB-CG 3.97Å; A362-T374 CarbonylContact O-C 3.59Å; A362-T374 WeakPolarHBondContact O-CA 3.27Å; A362-T374 WeakPolarHBondContact O-CB 3.21Å; A362-T375 PolarHBondContact O-N 2.85Å
363S90.1Very high79.8Confident11 Ų1143.7 Ų43.78%0.07726%0.256CS..BIsolated β-bridgetrans-60.7134.7175.71780000110.4V365 T366 T375 E409S363-V365 PolarHBondContact O-N 2.86Å; S363-V365 VanDerWaalsContact O-N 3.16Å; S363-T366 PolarHBondContact O-N 2.83Å; S363-T366 PolarHBondContact O-OG1 3.29Å; S363-T375 CarbonylContact C-O 3.51Å; S363-T375 WeakPolarHBondContact CA-O 3.37Å; S363-E409 PolarHBondContact OG-OE1 2.64Å
364A85.4Confident79.9Confident26 Ų2639.7 Ų39.722%0.21522%0.221CC..G310 helixtrans-57-31.3-175.300000113T366 K367 T375 D376A364-T366 PolarHBondContact O-N 3.43Å; A364-K367 PolarHBondContact O-N 3.06Å; A364-T375 PolarHBondContact N-O 2.74Å; A364-D376 HydrophobicContact CB-CB 4.42Å
365V84.2Confident80.1Confident41 Ų4137.8 Ų37.825%0.24821%0.209CC..G310 helixtrans-73.7-14.7179.1-51.90000113.9S363 S406 E409 K410 L413S363-V365 PolarHBondContact O-N 2.86Å; S363-V365 VanDerWaalsContact O-N 3.16Å; V365-S406 WeakPolarHBondContact CG1-OG 3.39Å; V365-E409 HydrophobicContact CG1-CB 4.22Å; V365-E409 HydrophobicContact CG1-CG 3.99Å; V365-E409 HydrophobicContact CG2-CB 4.44Å; V365-E409 HydrophobicContact CG2-CG 3.66Å; V365-K410 HydrophobicContact CB-CG 3.84Å; V365-K410 HydrophobicContact CG1-CG 4.34Å; V365-K410 HydrophobicContact CG2-CG 3.89Å; V365-L413 HydrophobicContact CG2-CD1 3.54Å
366T78.9Confident80Confident71 Ų7135.5 Ų35.544%0.43620%0.2SC..G310 helixtrans-92.8-7.9179.969.20000113.1S363 A364 L413S363-T366 PolarHBondContact O-N 2.83Å; S363-T366 PolarHBondContact O-OG1 3.29Å; A364-T366 PolarHBondContact O-N 3.43Å; T366-L413 HydrophobicContact CG2-CD1 3.45Å; T366-L413 VanDerWaalsContact CG2-CD1 3.45Å
367K70.1Confident80.1Confident70 Ų7036.1 Ų36.130%0.30420%0.201SC..SBendtrans-126.8147.2-177.1-58.6-61.9166.2-158.60110A362 A364 F371 T374A362-K367 HydrophobicContact CB-CG 3.97Å; A364-K367 PolarHBondContact O-N 3.06Å; K367-F371 HydrophobicContact CB-CB 3.71Å; K367-F371 HydrophobicContact CB-CD2 3.94Å; K367-F371 HydrophobicContact CB-CG 3.82Å; K367-F371 HydrophobicContact CG-CB 4.38Å; K367-F371 HydrophobicContact CG-CG 4.3Å; K367-T374 HydrophobicContact CB-CG2 4.03Å; K367-T374 HydrophobicContact CG-CG2 4.03Å
368P51.3Low80.1Confident60 Ų6034.9 Ų34.939%0.3920%0.198SC..  trans-56.8153.3171.5-27.335000112.5H370 F371P368-H370 WeakPolarHBondContact CB-CE1 3.49Å; P368-H370 WeakPolarHBondContact CB-ND1 3.42Å; P368-H370 PolarHBondContact O-N 3.36Å; P368-F371 HydrophobicContact CB-CD2 4.3Å; P368-F371 HydrophobicContact CG-CD2 4.31Å; P368-F371 HydrophobicContact CG-CE2 4.27Å; P368-F371 PolarHBondContact O-N 3.24Å
369P47.7Very low80.2Confident122 Ų12233.5 Ų33.579%0.79219%0.193SC*.THydrogen-bonded Turntrans-57.3-16.8-176.3-27.434.9000116.7F371P369-F371 VanDerWaalsContact C-N 3.28Å
370H52.5Low80.1Confident28 Ų2834.6 Ų34.613%0.1320%0.196CC..THydrogen-bonded Turntrans-78.2-9.1174.354.4-98000113.9R281 P368 I372 W543 H667R281-H370 PolarHBondContact NH2-O 3.3Å; P368-H370 WeakPolarHBondContact CB-CE1 3.49Å; P368-H370 WeakPolarHBondContact CB-ND1 3.42Å; P368-H370 PolarHBondContact O-N 3.36Å; H370-I372 PolarHBondContact O-N 3.21Å; H370-W543 HydrophobicContact CB-CD2 4.08Å; H370-W543 HydrophobicContact CB-CE3 3.93Å; H370-W543 HydrophobicContact CB-CH2 3.48Å; H370-W543 VanDerWaalsContact CB-CH2 3.48Å; H370-W543 HydrophobicContact CB-CZ2 3.58Å; H370-W543 HydrophobicContact CB-CZ3 3.65Å; H370-W543 AromaticContact CG-CH2 3.78Å; H370-W543 AromaticContact CG-CZ3 3.78Å; H370-W543 AromaticContact ND1-CH2 3.32Å; H370-W543 VanDerWaalsContact ND1-CH2 3.32Å; H370-W543 WeakPolarHBondContact ND1-CH2 3.35Å; H370-W543 AromaticContact ND1-CZ3 3.34Å; H370-W543 VanDerWaalsContact ND1-CZ3 3.34Å; H370-W543 WeakPolarHBondContact ND1-CZ3 3.33Å; H370-H667 AromaticContact CE1-CE1 3.95Å; H370-H667 AromaticContact CE1-ND1 3.88Å; H370-H667 AromaticContact NE2-CE1 3.51Å; H370-H667 AromaticContact NE2-ND1 3.89Å
371F54.6Low80.1Confident40 Ų4035.1 Ų35.118%0.17519%0.194CC..  trans-75.579169.2-77.2-97.2000109.9L277 K367 P368 P369 T374L277-F371 HydrophobicContact CD1-CD1 3.96Å; K367-F371 HydrophobicContact CB-CB 3.71Å; K367-F371 HydrophobicContact CB-CD2 3.94Å; K367-F371 HydrophobicContact CB-CG 3.82Å; K367-F371 HydrophobicContact CG-CB 4.38Å; K367-F371 HydrophobicContact CG-CG 4.3Å; P368-F371 HydrophobicContact CB-CD2 4.3Å; P368-F371 HydrophobicContact CG-CD2 4.31Å; P368-F371 HydrophobicContact CG-CE2 4.27Å; P368-F371 PolarHBondContact O-N 3.24Å; P369-F371 VanDerWaalsContact C-N 3.28Å; F371-T374 HydrophobicContact CB-CG2 3.69Å; F371-T374 VanDerWaalsContact O-CG2 3.23Å; F371-T374 WeakPolarHBondContact O-CG2 3.27Å; F371-T374 PolarHBondContact O-OG1 3.34Å; F371-T374 VanDerWaalsContact O-OG1 3.08Å
372I65.4Low80.1Confident39 Ų3935.8 Ų35.820%0.220%0.199CC..THydrogen-bonded Turntrans-55.1150.5165.367166.9000112.2R281 H370 T374 L471 T476R281-I372 PolarHBondContact NH2-O 3.26Å; H370-I372 PolarHBondContact O-N 3.21Å; I372-T374 PolarHBondContact O-N 3.33Å; I372-L471 HydrophobicContact CD1-CB 4.36Å; I372-L471 WeakPolarHBondContact CD1-O 3.3Å; I372-T476 HydrophobicContact CG2-CG2 4.28Å
373L81.9Confident80Confident10 Ų1036.2 Ų36.25%0.05220%0.201CC..THydrogen-bonded Turntrans65.517.2-178.7-57.5169.1000114.9L277 I280 T361 V463 V468 L471L277-L373 HydrophobicContact CD2-CB 4.48Å; L277-L373 WeakPolarHBondContact CD2-O 3.37Å; I280-L373 HydrophobicContact CG2-CD1 3.51Å; T361-L373 WeakPolarHBondContact CB-O 3.41Å; T361-L373 WeakPolarHBondContact CG2-O 3.45Å; T361-L373 PolarHBondContact OG1-O 2.91Å; L373-V463 HydrophobicContact CD2-CG1 4.19Å; L373-V468 HydrophobicContact CD1-CG1 4.4Å; L373-V468 HydrophobicContact CD2-CG2 4.2Å; L373-L471 HydrophobicContact CD1-CB 4.3Å; L373-L471 HydrophobicContact CD2-CB 4.01Å; L373-L471 HydrophobicContact CD2-CD1 3.43Å; L373-L471 VanDerWaalsContact CD2-CD1 3.43Å; L373-L471 HydrophobicContact CD2-CG 4.36Å; L373-L471 HydrophobicContact CG-CB 4.16Å; L373-L471 HydrophobicContact CG-CD1 4.13Å
374T86.1Confident79.6Confident27 Ų2743 Ų4317%0.16623%0.232CC..  trans-67.2149.1160.4500000110.7L277 A362 K367 F371 I372 D376L277-T374 HydrophobicContact CD1-CG2 3.98Å; L277-T374 HydrophobicContact CD2-CG2 4.35Å; A362-T374 CarbonylContact O-C 3.59Å; A362-T374 WeakPolarHBondContact O-CA 3.27Å; A362-T374 WeakPolarHBondContact O-CB 3.21Å; K367-T374 HydrophobicContact CB-CG2 4.03Å; K367-T374 HydrophobicContact CG-CG2 4.03Å; F371-T374 HydrophobicContact CB-CG2 3.69Å; F371-T374 VanDerWaalsContact O-CG2 3.23Å; F371-T374 WeakPolarHBondContact O-CG2 3.27Å; F371-T374 PolarHBondContact O-OG1 3.34Å; F371-T374 VanDerWaalsContact O-OG1 3.08Å; I372-T374 PolarHBondContact O-N 3.33Å; T374-D376 PolarHBondContact O-N 3.25Å
375T92.4Very high79.5Confident7 Ų749.8 Ų49.84%0.04326%0.257CS..BIsolated β-bridgetrans-75.4115.1177.4-57.80000109T361 A362 S363 A364 W377 P460T361-T375 PolarHBondContact N-OG1 3.03Å; T361-T375 PolarHBondContact O-OG1 2.96Å; T361-T375 PolarHBondContact OG1-N 2.83Å; T361-T375 PolarHBondContact OG1-OG1 3.12Å; A362-T375 PolarHBondContact O-N 2.85Å; S363-T375 CarbonylContact C-O 3.51Å; S363-T375 WeakPolarHBondContact CA-O 3.37Å; A364-T375 PolarHBondContact N-O 2.74Å; T375-W377 HydrophobicContact CG2-CD2 4.02Å; T375-W377 VanDerWaalsContact CG2-CE2 3.48Å; T375-W377 HydrophobicContact CG2-CG 4.32Å; T375-W377 HydrophobicContact CG2-CZ2 3.84Å; T375-P460 HydrophobicContact CG2-CB 3.77Å
376D90.6Very high79.3Confident73 Ų7350.4 Ų50.439%0.3927%0.272SS..  trans-86.7116.2173.8-169.415.3000109A364 T374 P460 K461A364-D376 HydrophobicContact CB-CB 4.42Å; T374-D376 PolarHBondContact O-N 3.25Å; D376-P460 CarbonylContact O-C 3.51Å; D376-P460 VanDerWaalsContact O-CA 3.32Å; D376-P460 WeakPolarHBondContact O-CA 3.43Å; D376-K461 HydrophobicContact CB-CB 4.15Å; D376-K461 PolarHBondContact O-N 3.15Å
377W94.6Very high79.7Confident20 Ų2049.2 Ų49.28%0.07627%0.266CS..EExtended strand (participates in β ladder)trans-99.9122.2-175.6-70.4100.2000110.3T375 E409 R458 P460T375-W377 HydrophobicContact CG2-CD2 4.02Å; T375-W377 VanDerWaalsContact CG2-CE2 3.48Å; T375-W377 HydrophobicContact CG2-CG 4.32Å; T375-W377 HydrophobicContact CG2-CZ2 3.84Å; W377-E409 HydrophobicContact CB-CG 4.12Å; W377-E409 VanDerWaalsContact CD1-OE1 3.23Å; W377-R458 VanDerWaalsContact CD2-NH1 3.31Å; W377-R458 VanDerWaalsContact CE2-CZ 3.47Å; W377-R458 VanDerWaalsContact CE2-NH1 3.33Å; W377-R458 HydrophobicContact CE3-CG 3.86Å; W377-R458 VanDerWaalsContact CE3-CZ 3.41Å; W377-R458 VanDerWaalsContact CZ2-NH1 3.28Å; W377-R458 HydrophobicContact CZ3-CG 4.39Å; W377-R458 VanDerWaalsContact NE1-NH2 3.18Å; W377-P460 HydrophobicContact CE3-CB 4.08Å; W377-P460 HydrophobicContact CZ3-CB 4.09Å; W377-P460 HydrophobicContact CZ3-CG 4.16Å
378I94.3Very high80.7Confident19 Ų1948.5 Ų48.510%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-104.9134.6179.8-50.1177.1000108.9Y380 E390 R459 K461I378-Y380 HydrophobicContact CB-CE2 3.75Å; I378-Y380 HydrophobicContact CG2-CD2 4.3Å; I378-Y380 HydrophobicContact CG2-CE1 3.99Å; I378-Y380 HydrophobicContact CG2-CE2 3.57Å; I378-Y380 WeakPolarHBondContact CG2-OH 3.46Å; I378-E390 HydrophobicContact CG2-CG 3.6Å; I378-R459 WeakPolarHBondContact CA-O 3.35Å; I378-R459 PolarHBondContact N-O 3.46Å; I378-R459 PolarHBondContact O-N 3.48Å; I378-R459 VanDerWaalsContact O-O 3.08Å; I378-K461 HydrophobicContact CD1-CB 3.98Å; I378-K461 HydrophobicContact CD1-CG 4.35Å; I378-K461 HydrophobicContact CG1-CB 4.49Å
379W94.9Very high82.5Confident0 Ų048.7 Ų48.70%026%0.257CS..EExtended strand (participates in β ladder)trans-107.5136178.8-73.580.7000109.8E390 Y391 S405 V408 E409 Y412 F440 F443 V456 R458W379-E390 WeakPolarHBondContact O-CA 3.48Å; W379-Y391 HydrophobicContact CB-CD2 3.6Å; W379-Y391 HydrophobicContact CB-CE2 4.21Å; W379-Y391 HydrophobicContact CB-CG 4.49Å; W379-Y391 WeakPolarHBondContact O-CD2 3.2Å; W379-Y391 PolarHBondContact O-N 3.49Å; W379-S405 PolarHBondContact N-OG 2.89Å; W379-S405 VanDerWaalsContact N-OG 3.16Å; W379-S405 PolarHBondContact O-OG 2.87Å; W379-V408 HydrophobicContact CB-CB 4.36Å; W379-V408 HydrophobicContact CB-CG1 4.13Å; W379-V408 HydrophobicContact CD2-CB 4.3Å; W379-V408 HydrophobicContact CD2-CG1 3.4Å; W379-V408 HydrophobicContact CE3-CG1 3.73Å; W379-V408 HydrophobicContact CG-CB 3.99Å; W379-V408 HydrophobicContact CG-CG1 3.59Å; W379-V408 HydrophobicContact CZ2-CG1 4.27Å; W379-V408 HydrophobicContact CZ3-CG1 4.3Å; W379-E409 PolarHBondContact NE1-OE2 3.3Å; W379-E409 VanDerWaalsContact NE1-OE2 3.14Å; W379-Y412 HydrophobicContact CH2-CD1 4.36Å; W379-Y412 AromaticContact CH2-CD2 3.55Å; W379-Y412 HydrophobicContact CH2-CD2 3.55Å; W379-Y412 HydrophobicContact CH2-CE2 4.09Å; W379-Y412 AromaticContact CH2-CG 3.7Å; W379-Y412 HydrophobicContact CH2-CG 3.7Å; W379-Y412 VanDerWaalsContact CZ2-CB 3.46Å; W379-Y412 AromaticContact CZ2-CD1 3.82Å; W379-Y412 HydrophobicContact CZ2-CD1 3.82Å; W379-Y412 AromaticContact CZ2-CD2 3.8Å; W379-Y412 HydrophobicContact CZ2-CD2 3.8Å; W379-Y412 HydrophobicContact CZ2-CE2 4.5Å; W379-Y412 AromaticContact CZ2-CG 3.41Å; W379-Y412 HydrophobicContact CZ2-CG 3.41Å; W379-Y412 VanDerWaalsContact CZ2-CG 3.41Å; W379-F440 AromaticContact CH2-CD1 3.97Å; W379-F440 HydrophobicContact CH2-CD1 3.97Å; W379-F440 HydrophobicContact CH2-CE1 4.23Å; W379-F440 HydrophobicContact CZ3-CD1 4.29Å; W379-F440 HydrophobicContact CZ3-CE1 4.47Å; W379-F443 AromaticContact CH2-CE1 3.85Å; W379-F443 HydrophobicContact CH2-CE1 3.85Å; W379-F443 HydrophobicContact CH2-CZ 4.32Å; W379-F443 HydrophobicContact CZ3-CD1 4.12Å; W379-F443 AromaticContact CZ3-CE1 3.71Å; W379-F443 HydrophobicContact CZ3-CE1 3.71Å; W379-V456 HydrophobicContact CE3-CG1 3.71Å; W379-V456 HydrophobicContact CZ3-CG1 3.96Å; W379-R458 HydrophobicContact CD2-CB 4.08Å; W379-R458 HydrophobicContact CD2-CG 4.11Å; W379-R458 HydrophobicContact CE3-CB 4.07Å; W379-R458 HydrophobicContact CH2-CB 4.09Å; W379-R458 HydrophobicContact CH2-CG 4.26Å; W379-R458 HydrophobicContact CZ2-CB 4.1Å; W379-R458 HydrophobicContact CZ2-CG 3.77Å; W379-R458 HydrophobicContact CZ3-CB 4.08Å
380Y93.5Very high84.6Confident33 Ų3345.5 Ų45.513%0.12923%0.232CC..EExtended strand (participates in β ladder)trans-127.4150.2-178.1-57.3-90.3000111.5P325 I378 W388 Q389 E390 V456 C457 R459P325-Y380 HydrophobicContact CB-CD2 4.15Å; P325-Y380 HydrophobicContact CB-CG 4.31Å; P325-Y380 HydrophobicContact CG-CD1 4.15Å; P325-Y380 HydrophobicContact CG-CD2 4.1Å; P325-Y380 HydrophobicContact CG-CE1 4.24Å; P325-Y380 HydrophobicContact CG-CE2 4.19Å; P325-Y380 HydrophobicContact CG-CG 4.07Å; I378-Y380 HydrophobicContact CB-CE2 3.75Å; I378-Y380 HydrophobicContact CG2-CD2 4.3Å; I378-Y380 HydrophobicContact CG2-CE1 3.99Å; I378-Y380 HydrophobicContact CG2-CE2 3.57Å; I378-Y380 WeakPolarHBondContact CG2-OH 3.46Å; Y380-W388 HydrophobicContact CD1-CB 4.29Å; Y380-W388 HydrophobicContact CG-CB 4.49Å; Y380-Q389 CarbonylContact C-O 3.59Å; Y380-Q389 WeakPolarHBondContact CA-O 3.25Å; Y380-E390 HydrophobicContact CD1-CB 4.14Å; Y380-E390 HydrophobicContact CE1-CB 4.06Å; Y380-V456 CarbonylContact O-C 3.54Å; Y380-V456 VanDerWaalsContact O-CA 3.25Å; Y380-V456 WeakPolarHBondContact O-CA 3.35Å; Y380-V456 WeakPolarHBondContact O-CG1 3.09Å; Y380-C457 PolarHBondContact N-O 3.46Å; Y380-C457 PolarHBondContact O-N 2.92Å; Y380-R459 HydrophobicContact CE2-CB 4.11Å
381W92.5Very high86.3Confident36 Ų3644.2 Ų44.214%0.13623%0.226CC..EExtended strand (participates in β ladder)trans-124.6146.4167.261.5-82.3000110.2D383 W388 Q389 Y391 H398 K455 V456W381-D383 HydrophobicContact CE3-CB 4.47Å; W381-D383 HydrophobicContact CH2-CB 4.1Å; W381-D383 HydrophobicContact CZ3-CB 3.75Å; W381-W388 VanDerWaalsContact C-CE3 3.46Å; W381-W388 WeakPolarHBondContact O-CA 3.4Å; W381-Q389 VanDerWaalsContact CD1-O 3.24Å; W381-Q389 HydrophobicContact CD2-CB 4.09Å; W381-Q389 HydrophobicContact CG-CB 4.44Å; W381-Q389 HydrophobicContact CH2-CB 4.45Å; W381-Q389 HydrophobicContact CH2-CG 4.21Å; W381-Q389 HydrophobicContact CZ2-CB 3.72Å; W381-Q389 HydrophobicContact CZ2-CG 3.93Å; W381-Q389 PolarHBondContact N-O 2.75Å; W381-Q389 PolarHBondContact O-N 2.84Å; W381-Y391 HydrophobicContact CB-CE2 4.06Å; W381-Y391 AromaticContact CD1-CE1 3.95Å; W381-Y391 AromaticContact CD1-CE2 3.93Å; W381-Y391 AromaticContact CD1-CZ 3.82Å; W381-Y391 HydrophobicContact CG-CE2 4.4Å; W381-H398 HydrophobicContact CH2-CB 4.41Å; W381-H398 AromaticContact CH2-CD2 3.84Å; W381-H398 AromaticContact CH2-CG 3.9Å; W381-H398 HydrophobicContact CZ2-CB 4.25Å; W381-K455 CarbonylContact C-O 3.53Å; W381-K455 VanDerWaalsContact CA-O 3.31Å; W381-K455 WeakPolarHBondContact CA-O 3.42Å; W381-V456 HydrophobicContact CB-CG2 4.33Å
382S91.9Very high87.6Confident17 Ų1743.8 Ų43.812%0.11923%0.232CC..EExtended strand (participates in β ladder)trans-84.5126.7178.866.50000110.4S387 K454 K455S382-S387 CarbonylContact C-O 3.6Å; S382-S387 WeakPolarHBondContact CA-O 3.49Å; S382-K454 WeakPolarHBondContact O-CD 3.31Å; S382-K455 PolarHBondContact N-O 3.36Å; S382-K455 PolarHBondContact OG-N 2.85Å; S382-K455 PolarHBondContact OG-O 3.25Å
383D86.4Confident88.3Confident10 Ų1050.4 Ų50.45%0.05326%0.255CS..  trans-77.3-171.4175.368.424000113.4W381 F385 G386 S387 Q389 H398W381-D383 HydrophobicContact CE3-CB 4.47Å; W381-D383 HydrophobicContact CH2-CB 4.1Å; W381-D383 HydrophobicContact CZ3-CB 3.75Å; D383-F385 PolarHBondContact O-N 2.78Å; D383-F385 WeakPolarHBondContact OD1-CA 3.25Å; D383-F385 PolarHBondContact OD1-N 2.99Å; D383-G386 PolarHBondContact O-N 3.39Å; D383-G386 PolarHBondContact OD1-N 2.99Å; D383-G386 VanDerWaalsContact OD1-N 3.11Å; D383-S387 VanDerWaalsContact CG-O 3.28Å; D383-S387 PolarHBondContact N-O 3.3Å; D383-S387 PolarHBondContact OD1-N 2.85Å; D383-S387 VanDerWaalsContact OD2-CB 3.32Å; D383-S387 WeakPolarHBondContact OD2-CB 3.31Å; D383-Q389 HydrophobicContact CB-CG 4.1Å; D383-Q389 PolarHBondContact OD2-NE2 3.23Å; D383-H398 IonicContact OD2-NE2 3.78Å
384E82.6Confident87.5Confident155 Ų15558.1 Ų58.172%0.72429%0.291SS*.THydrogen-bonded Turntrans-67.9-22.9179.9-54.5-174.9171.800113.1
385F82.7Confident86.2Confident167 Ų16759.2 Ų59.273%0.73231%0.307SS*.THydrogen-bonded Turntrans-97.47.4179.8-51.7-73000112.2D383 S387D383-F385 PolarHBondContact O-N 2.78Å; D383-F385 WeakPolarHBondContact OD1-CA 3.25Å; D383-F385 PolarHBondContact OD1-N 2.99Å; F385-S387 PolarHBondContact O-N 3.25Å
386G80.5Confident84.3Confident54 Ų5466.5 Ų66.556%0.55735%0.352SS*.SBendtrans7314.1-177.200000114D383D383-G386 PolarHBondContact O-N 3.39Å; D383-G386 PolarHBondContact OD1-N 2.99Å; D383-G386 VanDerWaalsContact OD1-N 3.11Å
387S87.7Confident82.9Confident46 Ų4666.7 Ų66.732%0.32236%0.364SS..  trans-87.4138.6175.5-71.10000111.1S382 D383 F385S382-S387 CarbonylContact C-O 3.6Å; S382-S387 WeakPolarHBondContact CA-O 3.49Å; D383-S387 VanDerWaalsContact CG-O 3.28Å; D383-S387 PolarHBondContact N-O 3.3Å; D383-S387 PolarHBondContact OD1-N 2.85Å; D383-S387 VanDerWaalsContact OD2-CB 3.32Å; D383-S387 WeakPolarHBondContact OD2-CB 3.31Å; F385-S387 PolarHBondContact O-N 3.25Å
388W90.6Very high81.8Confident55 Ų5568.6 Ų68.621%0.20837%0.373CS..EExtended strand (participates in β ladder)trans-82.7124.4179.5-70.5109.8000111.1P325 Y380 W381 K455 C457P325-W388 HydrophobicContact CB-CB 4.15Å; P325-W388 HydrophobicContact CB-CD2 4Å; P325-W388 HydrophobicContact CB-CG 3.7Å; P325-W388 HydrophobicContact CG-CB 3.72Å; P325-W388 HydrophobicContact CG-CG 3.78Å; P325-W388 PolarHBondContact O-NE1 3.14Å; Y380-W388 HydrophobicContact CD1-CB 4.29Å; Y380-W388 HydrophobicContact CG-CB 4.49Å; W381-W388 VanDerWaalsContact C-CE3 3.46Å; W381-W388 WeakPolarHBondContact O-CA 3.4Å; W388-K455 HydrophobicContact CH2-CB 3.9Å; W388-K455 HydrophobicContact CZ3-CB 4.42Å; W388-K455 WeakPolarHBondContact CZ3-O 3.28Å; W388-C457 HydrophobicContact CD2-CB 4.45Å; W388-C457 HydrophobicContact CE3-CB 3.96Å; W388-C457 HydrophobicContact CH2-CB 3.51Å; W388-C457 HydrophobicContact CZ2-CB 4.03Å; W388-C457 HydrophobicContact CZ3-CB 3.46Å; W388-C457 VanDerWaalsContact CZ3-CB 3.46Å
389Q89.7Confident80.6Confident64 Ų6471.3 Ų71.330%0.29939%0.392SS..EExtended strand (participates in β ladder)trans-114.4134.9-179.1-56.6-60.1-1300110.2Y380 W381 D383Y380-Q389 CarbonylContact C-O 3.59Å; Y380-Q389 WeakPolarHBondContact CA-O 3.25Å; W381-Q389 VanDerWaalsContact CD1-O 3.24Å; W381-Q389 HydrophobicContact CD2-CB 4.09Å; W381-Q389 HydrophobicContact CG-CB 4.44Å; W381-Q389 HydrophobicContact CH2-CB 4.45Å; W381-Q389 HydrophobicContact CH2-CG 4.21Å; W381-Q389 HydrophobicContact CZ2-CB 3.72Å; W381-Q389 HydrophobicContact CZ2-CG 3.93Å; W381-Q389 PolarHBondContact N-O 2.75Å; W381-Q389 PolarHBondContact O-N 2.84Å; D383-Q389 HydrophobicContact CB-CG 4.1Å; D383-Q389 PolarHBondContact OD2-NE2 3.23Å
390E90.8Very high79.8Confident56 Ų5674.5 Ų74.526%0.26241%0.411SS..EExtended strand (participates in β ladder)trans-81.3138.4-178.5-179.9-179.9165.900112.1I378 W379 Y380 G392 R393I378-E390 HydrophobicContact CG2-CG 3.6Å; W379-E390 WeakPolarHBondContact O-CA 3.48Å; Y380-E390 HydrophobicContact CD1-CB 4.14Å; Y380-E390 HydrophobicContact CE1-CB 4.06Å; E390-G392 PolarHBondContact O-N 3.4Å; E390-R393 HydrophobicContact CB-CB 4.02Å; E390-R393 HydrophobicContact CG-CB 4.25Å; E390-R393 WeakPolarHBondContact OE2-CD 3.21Å; E390-R393 IonicContact OE2-NH1 3.09Å
391Y87.8Confident79.3Confident1 Ų173.6 Ų73.60%0.00441%0.41CS..THydrogen-bonded Turntrans-67.2128.7174.8-76-84.6000112.2W379 W381 R393 T401 V403 S405 V408 F429 Q445 V456W379-Y391 HydrophobicContact CB-CD2 3.6Å; W379-Y391 HydrophobicContact CB-CE2 4.21Å; W379-Y391 HydrophobicContact CB-CG 4.49Å; W379-Y391 WeakPolarHBondContact O-CD2 3.2Å; W379-Y391 PolarHBondContact O-N 3.49Å; W381-Y391 HydrophobicContact CB-CE2 4.06Å; W381-Y391 AromaticContact CD1-CE1 3.95Å; W381-Y391 AromaticContact CD1-CE2 3.93Å; W381-Y391 AromaticContact CD1-CZ 3.82Å; W381-Y391 HydrophobicContact CG-CE2 4.4Å; Y391-R393 VanDerWaalsContact C-N 3.3Å; Y391-R393 PolarHBondContact O-N 2.85Å; Y391-T401 HydrophobicContact CD1-CG2 4.12Å; Y391-V403 HydrophobicContact CD1-CG2 4.33Å; Y391-S405 PolarHBondContact O-N 2.89Å; Y391-S405 VanDerWaalsContact O-N 3.1Å; Y391-S405 PolarHBondContact O-OG 3Å; Y391-V408 HydrophobicContact CD1-CG2 4.46Å; Y391-V408 HydrophobicContact CG-CG2 4.25Å; Y391-F429 HydrophobicContact CD1-CZ 4.47Å; Y391-F429 HydrophobicContact CE1-CE1 4.24Å; Y391-F429 HydrophobicContact CE1-CE2 4.04Å; Y391-F429 AromaticContact CE1-CZ 3.62Å; Y391-F429 HydrophobicContact CE1-CZ 3.62Å; Y391-Q445 PolarHBondContact OH-OE1 3.3Å; Y391-V456 HydrophobicContact CE2-CG1 4.22Å; Y391-V456 WeakPolarHBondContact OH-CG2 3.5Å
392G82.9Confident78.8Confident30 Ų3076.4 Ų76.431%0.30943%0.431SS..THydrogen-bonded Turntrans81.5-1.1177.700000115.2E390 T401 V403E390-G392 PolarHBondContact O-N 3.4Å; G392-T401 WeakPolarHBondContact CA-OG1 3.18Å; G392-T401 PolarHBondContact N-OG1 3.41Å; G392-V403 PolarHBondContact N-O 3.32Å
393R79.8Confident78.6Confident178 Ų17876.4 Ų76.467%0.67243%0.43SS*.  trans-80.8130.2177.4-167.2171-178.6-175.9-1.6110.8E390 Y391 G395E390-R393 HydrophobicContact CB-CB 4.02Å; E390-R393 HydrophobicContact CG-CB 4.25Å; E390-R393 WeakPolarHBondContact OE2-CD 3.21Å; E390-R393 IonicContact OE2-NH1 3.09Å; Y391-R393 VanDerWaalsContact C-N 3.3Å; Y391-R393 PolarHBondContact O-N 2.85Å; R393-G395 PolarHBondContact O-N 2.92Å
394Q64.6Low78.8Confident172 Ų17277.8 Ų77.880%0.80444%0.441SS*.  trans-73110.2172.6-77.5176.3600109.6V400Q394-V400 HydrophobicContact CB-CG2 4.47Å; Q394-V400 HydrophobicContact CG-CG2 3.64Å
395G58.9Low79.2Confident50 Ų5070.9 Ų70.952%0.51541%0.409SS..  trans-117.5159.617100000110.9R393 A397R393-G395 PolarHBondContact O-N 2.92Å; G395-A397 VanDerWaalsContact C-N 3.29Å; G395-A397 PolarHBondContact O-N 2.73Å
396T53.2Low79.4Confident161 Ų16165.3 Ų65.399%0.98839%0.391SS*.SBendtrans-75.3-14.4178.848.60000113.7
397A61.4Low79.8Confident76 Ų7665.8 Ų65.863%0.62838%0.381SS*.SBendtrans-104-23.2-170.500000115.5G395G395-A397 VanDerWaalsContact C-N 3.29Å; G395-A397 PolarHBondContact O-N 2.73Å
398H71.2Confident80.1Confident60 Ų6063.6 Ų63.628%0.27837%0.366SS..SBendtrans-136.5145.3-174.1-62.6-55.2000112.7W381 D383W381-H398 HydrophobicContact CH2-CB 4.41Å; W381-H398 AromaticContact CH2-CD2 3.84Å; W381-H398 AromaticContact CH2-CG 3.9Å; W381-H398 HydrophobicContact CZ2-CB 4.25Å; D383-H398 IonicContact OD2-NE2 3.78Å
399P69.8Low80.2Confident76 Ų7661 Ų6149%0.49436%0.356SS..PPolyproline II helixtrans-60.5139.3177-20.431.3000112.1T401P399-T401 PolarHBondContact O-N 3.28Å
400V77.1Confident80.2Confident67 Ų6762.8 Ų62.841%0.40636%0.363SS..PPolyproline II helixtrans-63.2132.8176.1-1730000109.7Q394Q394-V400 HydrophobicContact CB-CG2 4.47Å; Q394-V400 HydrophobicContact CG-CG2 3.64Å
401T82.3Confident80.3Confident15 Ų1561.3 Ų61.39%0.09236%0.36CS..BIsolated β-bridgetrans-75.7145.9174.454.30000110.4Y391 G392 P399 V403 F429 Q430 A431Y391-T401 HydrophobicContact CD1-CG2 4.12Å; G392-T401 WeakPolarHBondContact CA-OG1 3.18Å; G392-T401 PolarHBondContact N-OG1 3.41Å; P399-T401 PolarHBondContact O-N 3.28Å; T401-V403 PolarHBondContact O-N 2.83Å; T401-V403 PolarHBondContact OG1-O 2.87Å; T401-F429 HydrophobicContact CG2-CD2 4.18Å; T401-F429 HydrophobicContact CG2-CE2 3.76Å; T401-Q430 CarbonylContact C-O 3.49Å; T401-Q430 WeakPolarHBondContact CA-O 3.38Å; T401-A431 HydrophobicContact CG2-CB 3.87Å
402T83.5Confident80.5Confident94 Ų9463.5 Ų63.558%0.57737%0.368SS*.SBendtrans-67.9-10.8174.655.40000113.7Q430T402-Q430 HydrophobicContact CG2-CB 3.83Å; T402-Q430 PolarHBondContact N-O 3.35Å; T402-Q430 PolarHBondContact OG1-N 2.86Å; T402-Q430 PolarHBondContact OG1-O 2.66Å
403V87.6Confident80.8Confident17 Ų1764.3 Ų64.310%0.10337%0.366CS..SBendtrans-115.6139.4178.3-64.70000109.7Y391 G392 T401 D407 V408 L427 F429Y391-V403 HydrophobicContact CD1-CG2 4.33Å; G392-V403 PolarHBondContact N-O 3.32Å; T401-V403 PolarHBondContact O-N 2.83Å; T401-V403 PolarHBondContact OG1-O 2.87Å; V403-D407 HydrophobicContact CB-CB 4.3Å; V403-V408 HydrophobicContact CB-CG2 4.28Å; V403-V408 HydrophobicContact CG2-CG2 3.94Å; V403-L427 HydrophobicContact CG1-CD2 4.45Å; V403-F429 HydrophobicContact CB-CB 4.34Å; V403-F429 HydrophobicContact CG1-CB 3.68Å; V403-F429 HydrophobicContact CG2-CB 3.7Å; V403-F429 HydrophobicContact CG2-CD1 4.17Å; V403-F429 HydrophobicContact CG2-CD2 3.83Å; V403-F429 HydrophobicContact CG2-CG 3.63Å
404S90Very high81.2Confident40 Ų4058.5 Ų58.528%0.2836%0.355SS..  trans-93.6165.5170.868.80000111.4S406 D407 V408S404-S406 PolarHBondContact O-N 2.94Å; S404-S406 VanDerWaalsContact O-N 3.12Å; S404-S406 WeakPolarHBondContact OG-CB 3.17Å; S404-S406 PolarHBondContact OG-N 2.83Å; S404-D407 WeakPolarHBondContact CB-OD2 3.24Å; S404-D407 PolarHBondContact N-OD2 3.09Å; S404-D407 VanDerWaalsContact N-OD2 3.09Å; S404-D407 PolarHBondContact O-N 2.93Å; S404-D407 VanDerWaalsContact OG-CG 3.3Å; S404-D407 PolarHBondContact OG-N 2.99Å; S404-D407 PolarHBondContact OG-OD2 2.83Å; S404-V408 WeakPolarHBondContact O-CG2 3.44Å; S404-V408 PolarHBondContact O-N 3.11Å
405S90.8Very high82.3Confident10 Ų1053.3 Ų53.37%0.0733%0.329CS..Hα-helixtrans-49.7-35.4168.8-69.30000112.9W379 Y391 E409W379-S405 PolarHBondContact N-OG 2.89Å; W379-S405 VanDerWaalsContact N-OG 3.16Å; W379-S405 PolarHBondContact O-OG 2.87Å; Y391-S405 PolarHBondContact O-N 2.89Å; Y391-S405 VanDerWaalsContact O-N 3.1Å; Y391-S405 PolarHBondContact O-OG 3Å; S405-E409 VanDerWaalsContact O-CB 3.28Å; S405-E409 WeakPolarHBondContact O-CB 3.47Å; S405-E409 PolarHBondContact O-N 2.88Å
406S87.1Confident83.5Confident50 Ų5053.7 Ų53.735%0.3532%0.323SS..Hα-helixtrans-65.1-40.1176-171.60000112.7V365 S404 K410V365-S406 WeakPolarHBondContact CG1-OG 3.39Å; S404-S406 PolarHBondContact O-N 2.94Å; S404-S406 VanDerWaalsContact O-N 3.12Å; S404-S406 WeakPolarHBondContact OG-CB 3.17Å; S404-S406 PolarHBondContact OG-N 2.83Å; S406-K410 WeakPolarHBondContact O-CG 3.31Å; S406-K410 PolarHBondContact O-N 2.94Å; S406-K410 VanDerWaalsContact O-N 3.07Å
407D89.4Confident84.8Confident63 Ų6350 Ų5034%0.33730%0.3SS..Hα-helixtrans-74.5-38-179.4-55.1-48000111.3V403 S404 K410 A411V403-D407 HydrophobicContact CB-CB 4.3Å; S404-D407 WeakPolarHBondContact CB-OD2 3.24Å; S404-D407 PolarHBondContact N-OD2 3.09Å; S404-D407 VanDerWaalsContact N-OD2 3.09Å; S404-D407 PolarHBondContact O-N 2.93Å; S404-D407 VanDerWaalsContact OG-CG 3.3Å; S404-D407 PolarHBondContact OG-N 2.99Å; S404-D407 PolarHBondContact OG-OD2 2.83Å; D407-K410 PolarHBondContact O-N 3.31Å; D407-K410 IonicContact OD1-NZ 2.73Å; D407-K410 PolarHBondContact OD1-NZ 3.36Å; D407-K410 VanDerWaalsContact OD1-NZ 3.08Å; D407-A411 PolarHBondContact O-N 3.14Å; D407-A411 VanDerWaalsContact O-N 3.08Å
408V93.3Very high84.9Confident1 Ų152.4 Ų52.41%0.00631%0.31CS..Hα-helixtrans-62.2-44.4172.6-178.30000110.6W379 Y391 V403 S404 K410 A411 Y412 L427 L438 F440W379-V408 HydrophobicContact CB-CB 4.36Å; W379-V408 HydrophobicContact CB-CG1 4.13Å; W379-V408 HydrophobicContact CD2-CB 4.3Å; W379-V408 HydrophobicContact CD2-CG1 3.4Å; W379-V408 HydrophobicContact CE3-CG1 3.73Å; W379-V408 HydrophobicContact CG-CB 3.99Å; W379-V408 HydrophobicContact CG-CG1 3.59Å; W379-V408 HydrophobicContact CZ2-CG1 4.27Å; W379-V408 HydrophobicContact CZ3-CG1 4.3Å; Y391-V408 HydrophobicContact CD1-CG2 4.46Å; Y391-V408 HydrophobicContact CG-CG2 4.25Å; V403-V408 HydrophobicContact CB-CG2 4.28Å; V403-V408 HydrophobicContact CG2-CG2 3.94Å; S404-V408 WeakPolarHBondContact O-CG2 3.44Å; S404-V408 PolarHBondContact O-N 3.11Å; V408-K410 PolarHBondContact O-N 2.67Å; V408-A411 PolarHBondContact O-N 3.07Å; V408-Y412 WeakPolarHBondContact O-CB 3.04Å; V408-Y412 PolarHBondContact O-N 2.99Å; V408-L427 HydrophobicContact CB-CD2 4.42Å; V408-L427 HydrophobicContact CG2-CD2 3.98Å; V408-L438 HydrophobicContact CG1-CD2 3.5Å; V408-L438 HydrophobicContact CG2-CD2 4.46Å; V408-F440 HydrophobicContact CG1-CE1 3.89Å; V408-F440 HydrophobicContact CG1-CZ 4.46Å
409E93.8Very high84.7Confident1 Ų153.6 Ų53.61%0.00534%0.338CS..Hα-helixtrans-62.7-41.617717664.4-174.900112.4S363 V365 W377 W379 S405 A411 Y412 L413 R458S363-E409 PolarHBondContact OG-OE1 2.64Å; V365-E409 HydrophobicContact CG1-CB 4.22Å; V365-E409 HydrophobicContact CG1-CG 3.99Å; V365-E409 HydrophobicContact CG2-CB 4.44Å; V365-E409 HydrophobicContact CG2-CG 3.66Å; W377-E409 HydrophobicContact CB-CG 4.12Å; W377-E409 VanDerWaalsContact CD1-OE1 3.23Å; W379-E409 PolarHBondContact NE1-OE2 3.3Å; W379-E409 VanDerWaalsContact NE1-OE2 3.14Å; S405-E409 VanDerWaalsContact O-CB 3.28Å; S405-E409 WeakPolarHBondContact O-CB 3.47Å; S405-E409 PolarHBondContact O-N 2.88Å; E409-A411 VanDerWaalsContact C-N 3.33Å; E409-A411 PolarHBondContact O-N 2.9Å; E409-Y412 PolarHBondContact O-N 3.34Å; E409-L413 HydrophobicContact CG-CD1 4.24Å; E409-L413 VanDerWaalsContact O-CG 3.3Å; E409-L413 WeakPolarHBondContact O-CG 3.21Å; E409-L413 PolarHBondContact O-N 3.15Å; E409-R458 IonicContact OE1-CZ 3.24Å; E409-R458 IonicContact OE1-NH2 3.42Å; E409-R458 PolarHBondContact OE1-NH2 3.07Å; E409-R458 IonicContact OE2-CZ 3.76Å; E409-R458 IonicContact OE2-NE 2.78Å; E409-R458 PolarHBondContact OE2-NE 2.76Å; E409-R458 IonicContact OE2-NH2 2.94Å; E409-R458 PolarHBondContact OE2-NH2 3.17Å
410K89.9Confident84Confident101 Ų10152.5 Ų52.544%0.43933%0.333SS..Hα-helixtrans-60.3-43.9174.6-71.2168.2-156152.50111.7V365 S406 D407 V408 L413 A414V365-K410 HydrophobicContact CB-CG 3.84Å; V365-K410 HydrophobicContact CG1-CG 4.34Å; V365-K410 HydrophobicContact CG2-CG 3.89Å; S406-K410 WeakPolarHBondContact O-CG 3.31Å; S406-K410 PolarHBondContact O-N 2.94Å; S406-K410 VanDerWaalsContact O-N 3.07Å; D407-K410 PolarHBondContact O-N 3.31Å; D407-K410 IonicContact OD1-NZ 2.73Å; D407-K410 PolarHBondContact OD1-NZ 3.36Å; D407-K410 VanDerWaalsContact OD1-NZ 3.08Å; V408-K410 PolarHBondContact O-N 2.67Å; K410-L413 PolarHBondContact O-N 3.32Å; K410-A414 PolarHBondContact O-N 3.43Å
411A91.4Very high83.2Confident25 Ų2555.1 Ų55.121%0.20734%0.344CS..Hα-helixtrans-65.6-41.717800000111.7D407 V408 E409 A414 Y415 L427 F440D407-A411 PolarHBondContact O-N 3.14Å; D407-A411 VanDerWaalsContact O-N 3.08Å; V408-A411 PolarHBondContact O-N 3.07Å; E409-A411 VanDerWaalsContact C-N 3.33Å; E409-A411 PolarHBondContact O-N 2.9Å; A411-A414 WeakPolarHBondContact O-CB 3.15Å; A411-A414 PolarHBondContact O-N 3.27Å; A411-Y415 PolarHBondContact O-N 3Å; A411-L427 HydrophobicContact CB-CD1 4.15Å; A411-L427 HydrophobicContact CB-CD2 4.13Å; A411-F440 HydrophobicContact CB-CE2 3.97Å; A411-F440 HydrophobicContact CB-CZ 3.7Å
412Y92.3Very high82.1Confident46 Ų4657.3 Ų57.318%0.1837%0.37CS..Hα-helixtrans-62.5-43.4175.5178.7-105.6000112.6W379 V408 E409 A414 Y415 C416 F440 F443W379-Y412 HydrophobicContact CH2-CD1 4.36Å; W379-Y412 AromaticContact CH2-CD2 3.55Å; W379-Y412 HydrophobicContact CH2-CD2 3.55Å; W379-Y412 HydrophobicContact CH2-CE2 4.09Å; W379-Y412 AromaticContact CH2-CG 3.7Å; W379-Y412 HydrophobicContact CH2-CG 3.7Å; W379-Y412 VanDerWaalsContact CZ2-CB 3.46Å; W379-Y412 AromaticContact CZ2-CD1 3.82Å; W379-Y412 HydrophobicContact CZ2-CD1 3.82Å; W379-Y412 AromaticContact CZ2-CD2 3.8Å; W379-Y412 HydrophobicContact CZ2-CD2 3.8Å; W379-Y412 HydrophobicContact CZ2-CE2 4.5Å; W379-Y412 AromaticContact CZ2-CG 3.41Å; W379-Y412 HydrophobicContact CZ2-CG 3.41Å; W379-Y412 VanDerWaalsContact CZ2-CG 3.41Å; V408-Y412 WeakPolarHBondContact O-CB 3.04Å; V408-Y412 PolarHBondContact O-N 2.99Å; E409-Y412 PolarHBondContact O-N 3.34Å; Y412-A414 VanDerWaalsContact C-N 3.32Å; Y412-A414 PolarHBondContact O-N 3.29Å; Y412-Y415 HydrophobicContact CD2-CD1 4.2Å; Y412-Y415 HydrophobicContact CE2-CD1 4.24Å; Y412-Y415 VanDerWaalsContact O-CB 3.3Å; Y412-Y415 WeakPolarHBondContact O-CB 3.48Å; Y412-Y415 PolarHBondContact O-N 3.27Å; Y412-Y415 VanDerWaalsContact O-N 3.17Å; Y412-C416 VanDerWaalsContact CE1-SG 3.57Å; Y412-C416 PolarHBondContact O-N 2.84Å; Y412-C416 PolarHBondContact O-SG 2.78Å; Y412-F440 HydrophobicContact CD2-CB 4.04Å; Y412-F440 AromaticContact CD2-CD1 3.83Å; Y412-F440 HydrophobicContact CD2-CD1 3.83Å; Y412-F440 HydrophobicContact CD2-CG 4.04Å; Y412-F440 HydrophobicContact CE2-CB 4.48Å; Y412-F443 HydrophobicContact CE2-CZ 4.04Å
413L90Very high81Confident48 Ų4860.5 Ų60.525%0.25138%0.378SS..Hα-helixtrans-65.7-35.8176.3-68.1174.6000112.4V365 T366 E409 K410 Y415 C416 T417V365-L413 HydrophobicContact CG2-CD1 3.54Å; T366-L413 HydrophobicContact CG2-CD1 3.45Å; T366-L413 VanDerWaalsContact CG2-CD1 3.45Å; E409-L413 HydrophobicContact CG-CD1 4.24Å; E409-L413 VanDerWaalsContact O-CG 3.3Å; E409-L413 WeakPolarHBondContact O-CG 3.21Å; E409-L413 PolarHBondContact O-N 3.15Å; K410-L413 PolarHBondContact O-N 3.32Å; L413-Y415 VanDerWaalsContact C-N 3.32Å; L413-C416 PolarHBondContact O-N 2.8Å; L413-T417 PolarHBondContact O-N 3.06Å; L413-T417 PolarHBondContact O-OG1 3.18Å
414A87.4Confident80Confident55 Ų5561.1 Ų61.146%0.45539%0.386SS..Hα-helixtrans-63.4-39.7172.300000111.5K410 A411 Y412 T417K410-A414 PolarHBondContact O-N 3.43Å; A411-A414 WeakPolarHBondContact O-CB 3.15Å; A411-A414 PolarHBondContact O-N 3.27Å; Y412-A414 VanDerWaalsContact C-N 3.32Å; Y412-A414 PolarHBondContact O-N 3.29Å; A414-T417 WeakPolarHBondContact O-CB 3.41Å; A414-T417 PolarHBondContact O-N 3.47Å
415Y87Confident79.6Confident63 Ų6360.1 Ų60.125%0.24738%0.38CS..Hα-helixtrans-60.8-47171.8165.8-112.3000112.4A411 Y412 L413 T417 S420 A424 A425 F440A411-Y415 PolarHBondContact O-N 3Å; Y412-Y415 HydrophobicContact CD2-CD1 4.2Å; Y412-Y415 HydrophobicContact CE2-CD1 4.24Å; Y412-Y415 VanDerWaalsContact O-CB 3.3Å; Y412-Y415 WeakPolarHBondContact O-CB 3.48Å; Y412-Y415 PolarHBondContact O-N 3.27Å; Y412-Y415 VanDerWaalsContact O-N 3.17Å; L413-Y415 VanDerWaalsContact C-N 3.32Å; Y415-T417 PolarHBondContact O-N 2.94Å; Y415-S420 PolarHBondContact O-OG 3.36Å; Y415-A424 WeakPolarHBondContact CB-O 3.33Å; Y415-A425 HydrophobicContact CD2-CB 4.05Å; Y415-A425 HydrophobicContact CE2-CB 3.8Å; Y415-F440 HydrophobicContact CD1-CB 3.76Å; Y415-F440 HydrophobicContact CD1-CG 4.47Å; Y415-F440 HydrophobicContact CE1-CB 3.97Å; Y415-F440 HydrophobicContact CG-CB 4.23Å; Y415-F440 HydrophobicContact CG-CD2 4.37Å
416C84.3Confident79.6Confident59 Ų5961.9 Ų61.940%0.39939%0.39SS..Hα-helixtrans-67.7-12.4179.5-65.60000114.3Y412 L413Y412-C416 VanDerWaalsContact CE1-SG 3.57Å; Y412-C416 PolarHBondContact O-N 2.84Å; Y412-C416 PolarHBondContact O-SG 2.78Å; L413-C416 PolarHBondContact O-N 2.8Å
417T80.6Confident79.9Confident82 Ų8261 Ų6150%0.50338%0.381SS..SBendtrans-70.7128.3-178.5-59.40000110.6L413 A414 Y415 G419 S420L413-T417 PolarHBondContact O-N 3.06Å; L413-T417 PolarHBondContact O-OG1 3.18Å; A414-T417 WeakPolarHBondContact O-CB 3.41Å; A414-T417 PolarHBondContact O-N 3.47Å; Y415-T417 PolarHBondContact O-N 2.94Å; T417-G419 PolarHBondContact O-N 2.93Å; T417-S420 WeakPolarHBondContact O-CB 3.32Å; T417-S420 PolarHBondContact O-N 3.42Å; T417-S420 PolarHBondContact O-OG 2.61Å
418P64Low80.1Confident128 Ų12864.8 Ų64.883%0.83140%0.395SS*.THydrogen-bonded Turntrans-57.8123.7-177.9-24.432.6000112.7
419G66.4Low80Confident85 Ų8565.2 Ų65.288%0.87640%0.396SS*.THydrogen-bonded Turntrans95.213-179.600000115.3T417T417-G419 PolarHBondContact O-N 2.93Å
420S56Low79.8Confident53 Ų5369.1 Ų69.137%0.37142%0.415SS..  trans-63.7143.1172.156.10000112.5Y415 T417Y415-S420 PolarHBondContact O-OG 3.36Å; T417-S420 WeakPolarHBondContact O-CB 3.32Å; T417-S420 PolarHBondContact O-N 3.42Å; T417-S420 PolarHBondContact O-OG 2.61Å
421D59.9Low79.6Confident121 Ų12164.7 Ų64.765%0.64740%0.397SS*.  trans-71.1155.4178.7-160.1-1.9000111Q423 A424D421-Q423 PolarHBondContact O-N 3.03Å; D421-A424 WeakPolarHBondContact O-CB 3.15Å; D421-A424 PolarHBondContact O-N 3.45Å
422G59.4Low79.2Confident62 Ų6265.4 Ų65.464%0.63941%0.406SS*.G310 helixtrans-58.5-24.2-179.700000113.7A424 A425G422-A424 VanDerWaalsContact C-N 3.3Å; G422-A424 PolarHBondContact O-N 2.88Å; G422-A425 WeakPolarHBondContact O-CB 3.23Å; G422-A425 PolarHBondContact O-N 3.46Å
423Q60Low78.8Confident160 Ų16072.3 Ų72.375%0.74844%0.437SS*.G310 helixtrans-68.7-20.9173.3-84.2-178.4-14.400114.2D421 A425D421-Q423 PolarHBondContact O-N 3.03Å; Q423-A425 PolarHBondContact O-N 3.22Å
424A66.6Low78.6Confident31 Ų3173 Ų7326%0.25644%0.439SS..G310 helixtrans-73.5-13.9177.800000113Y415 D421 G422 T426Y415-A424 WeakPolarHBondContact CB-O 3.33Å; D421-A424 WeakPolarHBondContact O-CB 3.15Å; D421-A424 PolarHBondContact O-N 3.45Å; G422-A424 VanDerWaalsContact C-N 3.3Å; G422-A424 PolarHBondContact O-N 2.88Å; A424-T426 PolarHBondContact O-N 3.24Å
425A82.8Confident78.8Confident19 Ų1974.1 Ų74.116%0.15744%0.437CS..G310 helixtrans-70-15.4179.600000113.7Y415 G422 Q423 F440Y415-A425 HydrophobicContact CD2-CB 4.05Å; Y415-A425 HydrophobicContact CE2-CB 3.8Å; G422-A425 WeakPolarHBondContact O-CB 3.23Å; G422-A425 PolarHBondContact O-N 3.46Å; Q423-A425 PolarHBondContact O-N 3.22Å; A425-F440 WeakPolarHBondContact O-CD2 3.38Å; A425-F440 PolarHBondContact O-N 3.08Å
426T89.9Confident79.1Confident46 Ų4673.1 Ų73.128%0.28243%0.434SS..EExtended strand (participates in β ladder)trans-128.2139.7-176.957.40000112.4A424 E437 L438 D439A424-T426 PolarHBondContact O-N 3.24Å; T426-E437 HydrophobicContact CG2-CG 4.17Å; T426-L438 CarbonylContact C-O 3.55Å; T426-L438 WeakPolarHBondContact CA-O 3.42Å; T426-D439 HydrophobicContact CG2-CB 4.5Å
427L92.5Very high79.6Confident33 Ų3372.7 Ų72.717%0.17343%0.426CS..EExtended strand (participates in β ladder)trans-115.2122.5173.4175.268.1000110.5V403 V408 A411 E437 L438 F440V403-L427 HydrophobicContact CG1-CD2 4.45Å; V408-L427 HydrophobicContact CB-CD2 4.42Å; V408-L427 HydrophobicContact CG2-CD2 3.98Å; A411-L427 HydrophobicContact CB-CD1 4.15Å; A411-L427 HydrophobicContact CB-CD2 4.13Å; L427-E437 CarbonylContact O-C 3.51Å; L427-E437 WeakPolarHBondContact O-CA 3.02Å; L427-L438 HydrophobicContact CB-CB 4.29Å; L427-L438 HydrophobicContact CD2-CD2 4.43Å; L427-L438 PolarHBondContact N-O 2.96Å; L427-L438 PolarHBondContact O-N 3.35Å; L427-F440 HydrophobicContact CB-CE2 3.83Å; L427-F440 HydrophobicContact CB-CZ 3.61Å; L427-F440 HydrophobicContact CD2-CZ 4.13Å; L427-F440 HydrophobicContact CG-CZ 4.49Å
428K93.5Very high80.2Confident141 Ų14168.8 Ų68.861%0.61340%0.402SS*.EExtended strand (participates in β ladder)trans-93.9136175.3-66-179.1-179.9178.80110.9Y436 E437K428-Y436 WeakPolarHBondContact CA-O 3.42Å; K428-E437 WeakPolarHBondContact CE-OE2 3.42Å; K428-E437 HydrophobicContact CG-CB 4.49Å; K428-E437 HydrophobicContact CG-CG 4.35Å; K428-E437 IonicContact NZ-OE2 3.86Å
429F92.6Very high81.6Confident10 Ų1065 Ų654%0.04438%0.375CS..EExtended strand (participates in β ladder)trans-154.6171.2179.468.8-82.8000111.2Y391 T401 V403 Y436 L438 Q445Y391-F429 HydrophobicContact CD1-CZ 4.47Å; Y391-F429 HydrophobicContact CE1-CE1 4.24Å; Y391-F429 HydrophobicContact CE1-CE2 4.04Å; Y391-F429 AromaticContact CE1-CZ 3.62Å; Y391-F429 HydrophobicContact CE1-CZ 3.62Å; T401-F429 HydrophobicContact CG2-CD2 4.18Å; T401-F429 HydrophobicContact CG2-CE2 3.76Å; V403-F429 HydrophobicContact CB-CB 4.34Å; V403-F429 HydrophobicContact CG1-CB 3.68Å; V403-F429 HydrophobicContact CG2-CB 3.7Å; V403-F429 HydrophobicContact CG2-CD1 4.17Å; V403-F429 HydrophobicContact CG2-CD2 3.83Å; V403-F429 HydrophobicContact CG2-CG 3.63Å; F429-Y436 HydrophobicContact CE2-CD2 4.14Å; F429-Y436 HydrophobicContact CE2-CG 4.19Å; F429-Y436 VanDerWaalsContact CZ-CB 3.45Å; F429-Y436 HydrophobicContact CZ-CD2 4.49Å; F429-Y436 HydrophobicContact CZ-CG 4.08Å; F429-Y436 PolarHBondContact N-O 2.79Å; F429-Y436 PolarHBondContact O-N 2.8Å; F429-L438 HydrophobicContact CE1-CB 4.02Å; F429-Q445 HydrophobicContact CE1-CG 4.42Å; F429-Q445 HydrophobicContact CZ-CG 4.04Å
430Q89.6Confident82.9Confident84 Ų8461.1 Ų61.139%0.39333%0.334SS..EExtended strand (participates in β ladder)trans-118.4143.8-179.5-174.6179.40.600110.3T401 T402 G432 H434T401-Q430 CarbonylContact C-O 3.49Å; T401-Q430 WeakPolarHBondContact CA-O 3.38Å; T402-Q430 HydrophobicContact CG2-CB 3.83Å; T402-Q430 PolarHBondContact N-O 3.35Å; T402-Q430 PolarHBondContact OG1-N 2.86Å; T402-Q430 PolarHBondContact OG1-O 2.66Å; Q430-G432 WeakPolarHBondContact CG-O 3.38Å; Q430-G432 PolarHBondContact NE2-O 3.16Å; Q430-H434 WeakPolarHBondContact CA-O 3.36Å; Q430-H434 WeakPolarHBondContact CG-O 3.28Å
431A85.2Confident84.5Confident8 Ų866.4 Ų66.47%0.06635%0.35CS..EExtended strand (participates in β ladder)trans-132.3111.2168.300000108.7T401 K433 H434 Y436T401-A431 HydrophobicContact CG2-CB 3.87Å; A431-K433 PolarHBondContact O-N 3.16Å; A431-H434 PolarHBondContact N-O 3.07Å; A431-H434 PolarHBondContact O-N 3.26Å; A431-Y436 HydrophobicContact CB-CD2 4Å; A431-Y436 HydrophobicContact CB-CE2 3.64Å
432G83.3Confident85.9Confident39 Ų3963.2 Ų63.240%0.40234%0.34SS..THydrogen-bonded Turntrans60.2-121.4-170.300000111.5Q430Q430-G432 WeakPolarHBondContact CG-O 3.38Å; Q430-G432 PolarHBondContact NE2-O 3.16Å
433K83.3Confident87.5Confident192 Ų19263.4 Ų63.484%0.83532%0.324SS*.THydrogen-bonded Turntrans-92.5-3.4-179.9-63.5-179.8-177.9178.50114A431A431-K433 PolarHBondContact O-N 3.16Å
434H86.8Confident89.2Confident61 Ų6158.6 Ų58.628%0.28230%0.302SS..EExtended strand (participates in β ladder)trans-107.5141.5-172.5-57.1-67.4000111.6Q430 A431 Y436 Y450Q430-H434 WeakPolarHBondContact CA-O 3.36Å; Q430-H434 WeakPolarHBondContact CG-O 3.28Å; A431-H434 PolarHBondContact N-O 3.07Å; A431-H434 PolarHBondContact O-N 3.26Å; H434-Y436 HydrophobicContact CB-CD2 4.44Å; H434-Y436 HydrophobicContact CB-CE2 3.59Å; H434-Y436 WeakPolarHBondContact O-CD2 3.34Å; H434-Y436 WeakPolarHBondContact O-CE2 3.42Å; H434-Y450 AromaticContact CE1-CE2 3.55Å; H434-Y450 AromaticContact ND1-CE2 3.68Å
435N91.5Very high90.4Very high79 Ų7957.4 Ų57.442%0.42229%0.292SS..EExtended strand (participates in β ladder)trans-97.4138.8175.4-65.7-50.8000110.3L448N435-L448 HydrophobicContact CB-CB 4.46Å; N435-L448 HydrophobicContact CB-CD1 4.18Å; N435-L448 PolarHBondContact O-N 3.01Å
436Y92.8Very high91Very high43 Ų4361 Ų6117%0.16930%0.304CS..EExtended strand (participates in β ladder)trans-129.1154.6-176.6-64.6-88.7000111K428 F429 A431 H434 Q445 K446 N447K428-Y436 WeakPolarHBondContact CA-O 3.42Å; F429-Y436 HydrophobicContact CE2-CD2 4.14Å; F429-Y436 HydrophobicContact CE2-CG 4.19Å; F429-Y436 VanDerWaalsContact CZ-CB 3.45Å; F429-Y436 HydrophobicContact CZ-CD2 4.49Å; F429-Y436 HydrophobicContact CZ-CG 4.08Å; F429-Y436 PolarHBondContact N-O 2.79Å; F429-Y436 PolarHBondContact O-N 2.8Å; A431-Y436 HydrophobicContact CB-CD2 4Å; A431-Y436 HydrophobicContact CB-CE2 3.64Å; H434-Y436 HydrophobicContact CB-CD2 4.44Å; H434-Y436 HydrophobicContact CB-CE2 3.59Å; H434-Y436 WeakPolarHBondContact O-CD2 3.34Å; H434-Y436 WeakPolarHBondContact O-CE2 3.42Å; Y436-Q445 HydrophobicContact CD1-CG 3.83Å; Y436-Q445 HydrophobicContact CG-CG 4.3Å; Y436-K446 CarbonylContact C-O 3.54Å; Y436-K446 VanDerWaalsContact CA-O 3.26Å; Y436-K446 WeakPolarHBondContact CA-O 3.44Å; Y436-N447 HydrophobicContact CD1-CB 3.92Å; Y436-N447 HydrophobicContact CE1-CB 3.64Å; Y436-N447 WeakPolarHBondContact CE1-ND2 3.47Å; Y436-N447 PolarHBondContact OH-ND2 2.65Å
437E94.1Very high91.1Very high50 Ų5059.1 Ų59.123%0.23429%0.292CS..EExtended strand (participates in β ladder)trans-125.4126.2171.5-176.6172.675.800108.8T426 L427 K428 Q445 K446 L448T426-E437 HydrophobicContact CG2-CG 4.17Å; L427-E437 CarbonylContact O-C 3.51Å; L427-E437 WeakPolarHBondContact O-CA 3.02Å; K428-E437 WeakPolarHBondContact CE-OE2 3.42Å; K428-E437 HydrophobicContact CG-CB 4.49Å; K428-E437 HydrophobicContact CG-CG 4.35Å; K428-E437 IonicContact NZ-OE2 3.86Å; E437-Q445 CarbonylContact O-C 3.55Å; E437-Q445 WeakPolarHBondContact O-CA 3.25Å; E437-K446 PolarHBondContact N-O 2.95Å; E437-K446 PolarHBondContact O-N 3.09Å; E437-L448 HydrophobicContact CB-CD2 3.9Å; E437-L448 HydrophobicContact CB-CG 4.34Å
438L95.2Very high91Very high0 Ų061.4 Ų61.40%030%0.304CS..EExtended strand (participates in β ladder)trans-100.2121.4175.4170.163.4000109V408 T426 L427 F429 F440 V456V408-L438 HydrophobicContact CG1-CD2 3.5Å; V408-L438 HydrophobicContact CG2-CD2 4.46Å; T426-L438 CarbonylContact C-O 3.55Å; T426-L438 WeakPolarHBondContact CA-O 3.42Å; L427-L438 HydrophobicContact CB-CB 4.29Å; L427-L438 HydrophobicContact CD2-CD2 4.43Å; L427-L438 PolarHBondContact N-O 2.96Å; L427-L438 PolarHBondContact O-N 3.35Å; F429-L438 HydrophobicContact CE1-CB 4.02Å; L438-F440 HydrophobicContact CD2-CD1 4.16Å; L438-F440 HydrophobicContact CD2-CE1 3.48Å; L438-F440 VanDerWaalsContact CD2-CE1 3.48Å; L438-F440 HydrophobicContact CD2-CZ 4.09Å; L438-F440 HydrophobicContact CG-CD1 4.2Å; L438-F440 HydrophobicContact CG-CE1 3.92Å; L438-F440 HydrophobicContact CG-CZ 4.5Å; L438-V456 HydrophobicContact CD1-CB 4.04Å; L438-V456 HydrophobicContact CD1-CG1 3.82Å; L438-V456 HydrophobicContact CD1-CG2 3.61Å
439D93.2Very high90.7Very high48 Ų4859 Ų5926%0.25730%0.3SS..EExtended strand (participates in β ladder)trans-97.5114.5175.4-175-40.1000109.9T426 K441 A442 F443 I444T426-D439 HydrophobicContact CG2-CB 4.5Å; D439-K441 VanDerWaalsContact C-N 3.32Å; D439-K441 WeakPolarHBondContact OD1-CA 3.38Å; D439-K441 VanDerWaalsContact OD1-CB 3.31Å; D439-K441 WeakPolarHBondContact OD1-CB 3.5Å; D439-K441 PolarHBondContact OD1-N 2.95Å; D439-A442 HydrophobicContact CB-CB 4.32Å; D439-A442 PolarHBondContact OD1-N 2.74Å; D439-F443 WeakPolarHBondContact O-CA 3.3Å; D439-F443 PolarHBondContact O-N 2.82Å; D439-I444 HydrophobicContact CB-CG1 4.07Å; D439-I444 PolarHBondContact N-O 2.88Å; D439-I444 PolarHBondContact O-N 2.69Å
440F92.7Very high90.4Very high4 Ų465.9 Ų65.92%0.01833%0.327CS..THydrogen-bonded Turntrans-75.2-18.8-178.8-63.8-55000113.9W379 V408 A411 Y412 Y415 A425 L427 L438 F443W379-F440 AromaticContact CH2-CD1 3.97Å; W379-F440 HydrophobicContact CH2-CD1 3.97Å; W379-F440 HydrophobicContact CH2-CE1 4.23Å; W379-F440 HydrophobicContact CZ3-CD1 4.29Å; W379-F440 HydrophobicContact CZ3-CE1 4.47Å; V408-F440 HydrophobicContact CG1-CE1 3.89Å; V408-F440 HydrophobicContact CG1-CZ 4.46Å; A411-F440 HydrophobicContact CB-CE2 3.97Å; A411-F440 HydrophobicContact CB-CZ 3.7Å; Y412-F440 HydrophobicContact CD2-CB 4.04Å; Y412-F440 AromaticContact CD2-CD1 3.83Å; Y412-F440 HydrophobicContact CD2-CD1 3.83Å; Y412-F440 HydrophobicContact CD2-CG 4.04Å; Y412-F440 HydrophobicContact CE2-CB 4.48Å; Y415-F440 HydrophobicContact CD1-CB 3.76Å; Y415-F440 HydrophobicContact CD1-CG 4.47Å; Y415-F440 HydrophobicContact CE1-CB 3.97Å; Y415-F440 HydrophobicContact CG-CB 4.23Å; Y415-F440 HydrophobicContact CG-CD2 4.37Å; A425-F440 WeakPolarHBondContact O-CD2 3.38Å; A425-F440 PolarHBondContact O-N 3.08Å; L427-F440 HydrophobicContact CB-CE2 3.83Å; L427-F440 HydrophobicContact CB-CZ 3.61Å; L427-F440 HydrophobicContact CD2-CZ 4.13Å; L427-F440 HydrophobicContact CG-CZ 4.49Å; L438-F440 HydrophobicContact CD2-CD1 4.16Å; L438-F440 HydrophobicContact CD2-CE1 3.48Å; L438-F440 VanDerWaalsContact CD2-CE1 3.48Å; L438-F440 HydrophobicContact CD2-CZ 4.09Å; L438-F440 HydrophobicContact CG-CD1 4.2Å; L438-F440 HydrophobicContact CG-CE1 3.92Å; L438-F440 HydrophobicContact CG-CZ 4.5Å; F440-F443 WeakPolarHBondContact O-CD2 3.12Å; F440-F443 VanDerWaalsContact O-CE2 3.28Å; F440-F443 WeakPolarHBondContact O-CE2 3.38Å
441K89.9Confident90.3Very high164 Ų16463.7 Ų63.771%0.71333%0.327SS*.THydrogen-bonded Turntrans-82.9-42.6177.9-175-179.2179.2-176.90110.9D439D439-K441 VanDerWaalsContact C-N 3.32Å; D439-K441 WeakPolarHBondContact OD1-CA 3.38Å; D439-K441 VanDerWaalsContact OD1-CB 3.31Å; D439-K441 WeakPolarHBondContact OD1-CB 3.5Å; D439-K441 PolarHBondContact OD1-N 2.95Å
442A89.7Confident90.5Very high54 Ų5467 Ų6745%0.44635%0.346SS..THydrogen-bonded Turntrans-89.7-12.2-179.600000113.4D439 I444D439-A442 HydrophobicContact CB-CB 4.32Å; D439-A442 PolarHBondContact OD1-N 2.74Å; A442-I444 VanDerWaalsContact C-N 3.3Å; A442-I444 HydrophobicContact CB-CD1 3.9Å; A442-I444 HydrophobicContact CB-CG1 3.75Å; A442-I444 PolarHBondContact O-N 2.85Å
443F93.1Very high91Very high66 Ų6669 Ų6929%0.28935%0.352SS..THydrogen-bonded Turntrans53.448.8-173.5-81.4-97000111.6W379 Y412 D439 F440 V456 R458W379-F443 AromaticContact CH2-CE1 3.85Å; W379-F443 HydrophobicContact CH2-CE1 3.85Å; W379-F443 HydrophobicContact CH2-CZ 4.32Å; W379-F443 HydrophobicContact CZ3-CD1 4.12Å; W379-F443 AromaticContact CZ3-CE1 3.71Å; W379-F443 HydrophobicContact CZ3-CE1 3.71Å; Y412-F443 HydrophobicContact CE2-CZ 4.04Å; D439-F443 WeakPolarHBondContact O-CA 3.3Å; D439-F443 PolarHBondContact O-N 2.82Å; F440-F443 WeakPolarHBondContact O-CD2 3.12Å; F440-F443 VanDerWaalsContact O-CE2 3.28Å; F440-F443 WeakPolarHBondContact O-CE2 3.38Å; F443-V456 WeakPolarHBondContact O-CB 3.24Å; F443-V456 PolarHBondContact O-N 2.99Å; F443-R458 HydrophobicContact CE1-CB 4.03Å
444I94.3Very high91.4Very high58 Ų5862.5 Ų62.530%0.29732%0.323SS..EExtended strand (participates in β ladder)trans-133.1146.6177.862.9178.7000111.3D439 A442 K454D439-I444 HydrophobicContact CB-CG1 4.07Å; D439-I444 PolarHBondContact N-O 2.88Å; D439-I444 PolarHBondContact O-N 2.69Å; A442-I444 VanDerWaalsContact C-N 3.3Å; A442-I444 HydrophobicContact CB-CD1 3.9Å; A442-I444 HydrophobicContact CB-CG1 3.75Å; A442-I444 PolarHBondContact O-N 2.85Å; I444-K454 CarbonylContact C-O 3.46Å; I444-K454 VanDerWaalsContact CA-O 3.26Å; I444-K454 WeakPolarHBondContact CA-O 3.25Å
445Q93.6Very high91.8Very high7 Ų766.5 Ų66.53%0.03334%0.34CS..EExtended strand (participates in β ladder)trans-105.1132.5168.5170-177.6-28.800109Y391 F429 Y436 E437 T453 K454 V456Y391-Q445 PolarHBondContact OH-OE1 3.3Å; F429-Q445 HydrophobicContact CE1-CG 4.42Å; F429-Q445 HydrophobicContact CZ-CG 4.04Å; Y436-Q445 HydrophobicContact CD1-CG 3.83Å; Y436-Q445 HydrophobicContact CG-CG 4.3Å; E437-Q445 CarbonylContact O-C 3.55Å; E437-Q445 WeakPolarHBondContact O-CA 3.25Å; Q445-T453 CarbonylContact O-C 3.45Å; Q445-T453 VanDerWaalsContact O-CA 3.23Å; Q445-T453 WeakPolarHBondContact O-CA 3.36Å; Q445-K454 PolarHBondContact N-O 2.79Å; Q445-K454 PolarHBondContact O-N 3.34Å; Q445-V456 HydrophobicContact CB-CG2 3.86Å
446K94.1Very high91.9Very high95 Ų9563.2 Ų63.241%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-115.7130.6177.8-173.7176.9179.7-178.30110.8Y436 E437 T452 T453Y436-K446 CarbonylContact C-O 3.54Å; Y436-K446 VanDerWaalsContact CA-O 3.26Å; Y436-K446 WeakPolarHBondContact CA-O 3.44Å; E437-K446 PolarHBondContact N-O 2.95Å; E437-K446 PolarHBondContact O-N 3.09Å; K446-T452 CarbonylContact C-O 3.56Å; K446-T452 WeakPolarHBondContact CA-O 3.37Å; K446-T453 HydrophobicContact CB-CG2 4.18Å; K446-T453 HydrophobicContact CD-CG2 4.5Å; K446-T453 HydrophobicContact CG-CG2 4.05Å
447N91.6Very high92Very high5 Ų561.5 Ų61.53%0.02732%0.317CS..EExtended strand (participates in β ladder)trans-75.9123.9168.2-173.3-60.7000109.1Y436 V449 Y450 G451 T452Y436-N447 HydrophobicContact CD1-CB 3.92Å; Y436-N447 HydrophobicContact CE1-CB 3.64Å; Y436-N447 WeakPolarHBondContact CE1-ND2 3.47Å; Y436-N447 PolarHBondContact OH-ND2 2.65Å; N447-V449 VanDerWaalsContact C-N 3.29Å; N447-V449 PolarHBondContact O-N 3.12Å; N447-V449 WeakPolarHBondContact OD1-CA 3.22Å; N447-V449 WeakPolarHBondContact OD1-CB 3.45Å; N447-V449 PolarHBondContact OD1-N 2.82Å; N447-Y450 PolarHBondContact OD1-N 3.06Å; N447-G451 WeakPolarHBondContact O-CA 3.38Å; N447-G451 PolarHBondContact O-N 3.47Å; N447-T452 WeakPolarHBondContact CB-OG1 3.48Å; N447-T452 PolarHBondContact N-O 3.49Å
448L90.8Very high92Very high82 Ų8260.7 Ų60.743%0.42931%0.312SS..THydrogen-bonded Turntrans-77-14.9-175.5-64.5179.8000113.7N435 E437N435-L448 HydrophobicContact CB-CB 4.46Å; N435-L448 HydrophobicContact CB-CD1 4.18Å; N435-L448 PolarHBondContact O-N 3.01Å; E437-L448 HydrophobicContact CB-CD2 3.9Å; E437-L448 HydrophobicContact CB-CG 4.34Å
449V86.9Confident92Very high89 Ų8961.3 Ų61.354%0.53931%0.314SS..THydrogen-bonded Turntrans-89.8-50.8178.7-177.90000110.7N447N447-V449 VanDerWaalsContact C-N 3.29Å; N447-V449 PolarHBondContact O-N 3.12Å; N447-V449 WeakPolarHBondContact OD1-CA 3.22Å; N447-V449 WeakPolarHBondContact OD1-CB 3.45Å; N447-V449 PolarHBondContact OD1-N 2.82Å
450Y86.9Confident92.1Very high156 Ų15659.1 Ų59.161%0.61230%0.302SS*.THydrogen-bonded Turntrans-99.8-8.7-174-54.8-66.9000113.8H434 N447 T452H434-Y450 AromaticContact CE1-CE2 3.55Å; H434-Y450 AromaticContact ND1-CE2 3.68Å; N447-Y450 PolarHBondContact OD1-N 3.06Å; Y450-T452 PolarHBondContact O-N 3.28Å; Y450-T452 VanDerWaalsContact O-N 3.17Å
451G87.5Confident92Very high38 Ų3865 Ų6539%0.39233%0.328SS..  trans71.71.1-177.800000115N447N447-G451 WeakPolarHBondContact O-CA 3.38Å; N447-G451 PolarHBondContact O-N 3.47Å
452T90.1Very high92.2Very high76 Ų7660 Ų6047%0.46631%0.305SS..  trans-65.2139.8-179.753.60000111.5K446 N447 Y450K446-T452 CarbonylContact C-O 3.56Å; K446-T452 WeakPolarHBondContact CA-O 3.37Å; N447-T452 WeakPolarHBondContact CB-OG1 3.48Å; N447-T452 PolarHBondContact N-O 3.49Å; Y450-T452 PolarHBondContact O-N 3.28Å; Y450-T452 VanDerWaalsContact O-N 3.17Å
453T93.2Very high92.2Very high83 Ų8358.9 Ų58.951%0.50929%0.292SS..EExtended strand (participates in β ladder)trans-116139.2-17955.50000111.8Q445 K446Q445-T453 CarbonylContact O-C 3.45Å; Q445-T453 VanDerWaalsContact O-CA 3.23Å; Q445-T453 WeakPolarHBondContact O-CA 3.36Å; K446-T453 HydrophobicContact CB-CG2 4.18Å; K446-T453 HydrophobicContact CD-CG2 4.5Å; K446-T453 HydrophobicContact CG-CG2 4.05Å
454K92.6Very high92Very high54 Ų5456.6 Ų56.624%0.23529%0.285CS..EExtended strand (participates in β ladder)trans-123.4147.8176.9-62.1-57.9-169.3174.50110.2S382 I444 Q445S382-K454 WeakPolarHBondContact O-CD 3.31Å; I444-K454 CarbonylContact C-O 3.46Å; I444-K454 VanDerWaalsContact CA-O 3.26Å; I444-K454 WeakPolarHBondContact CA-O 3.25Å; Q445-K454 PolarHBondContact N-O 2.79Å; Q445-K454 PolarHBondContact O-N 3.34Å
455K93.3Very high91.8Very high145 Ų14555.7 Ų55.763%0.6328%0.282SS*.EExtended strand (participates in β ladder)trans-74.2149.1176.4-65.8-177.4179.6178.40110.1W381 S382 W388W381-K455 CarbonylContact C-O 3.53Å; W381-K455 VanDerWaalsContact CA-O 3.31Å; W381-K455 WeakPolarHBondContact CA-O 3.42Å; S382-K455 PolarHBondContact N-O 3.36Å; S382-K455 PolarHBondContact OG-N 2.85Å; S382-K455 PolarHBondContact OG-O 3.25Å; W388-K455 HydrophobicContact CH2-CB 3.9Å; W388-K455 HydrophobicContact CZ3-CB 4.42Å; W388-K455 WeakPolarHBondContact CZ3-O 3.28Å
456V94.8Very high91.2Very high10 Ų1061.4 Ų61.46%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-125.3144178.7175.60000109.4W379 Y380 W381 Y391 L438 F443 Q445W379-V456 HydrophobicContact CE3-CG1 3.71Å; W379-V456 HydrophobicContact CZ3-CG1 3.96Å; Y380-V456 CarbonylContact O-C 3.54Å; Y380-V456 VanDerWaalsContact O-CA 3.25Å; Y380-V456 WeakPolarHBondContact O-CA 3.35Å; Y380-V456 WeakPolarHBondContact O-CG1 3.09Å; W381-V456 HydrophobicContact CB-CG2 4.33Å; Y391-V456 HydrophobicContact CE2-CG1 4.22Å; Y391-V456 WeakPolarHBondContact OH-CG2 3.5Å; L438-V456 HydrophobicContact CD1-CB 4.04Å; L438-V456 HydrophobicContact CD1-CG1 3.82Å; L438-V456 HydrophobicContact CD1-CG2 3.61Å; F443-V456 WeakPolarHBondContact O-CB 3.24Å; F443-V456 PolarHBondContact O-N 2.99Å; Q445-V456 HydrophobicContact CB-CG2 3.86Å
457C93.9Very high90.4Very high7 Ų760.3 Ų60.35%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-137.3137.2-176.2-177.60000110.2P325 Y380 W388 R459P325-C457 HydrophobicContact CB-CB 4.43Å; Y380-C457 PolarHBondContact N-O 3.46Å; Y380-C457 PolarHBondContact O-N 2.92Å; W388-C457 HydrophobicContact CD2-CB 4.45Å; W388-C457 HydrophobicContact CE3-CB 3.96Å; W388-C457 HydrophobicContact CH2-CB 3.51Å; W388-C457 HydrophobicContact CZ2-CB 4.03Å; W388-C457 HydrophobicContact CZ3-CB 3.46Å; W388-C457 VanDerWaalsContact CZ3-CB 3.46Å; C457-R459 PolarHBondContact SG-NH1 3.33Å
458R94.3Very high89.9Confident34 Ų3460.2 Ų60.213%0.12831%0.307CS..EExtended strand (participates in β ladder)trans-114.2116.2177.5-178.9-173.2-175.1-102.43.7108.8W377 W379 E409 F443W377-R458 VanDerWaalsContact CD2-NH1 3.31Å; W377-R458 VanDerWaalsContact CE2-CZ 3.47Å; W377-R458 VanDerWaalsContact CE2-NH1 3.33Å; W377-R458 HydrophobicContact CE3-CG 3.86Å; W377-R458 VanDerWaalsContact CE3-CZ 3.41Å; W377-R458 VanDerWaalsContact CZ2-NH1 3.28Å; W377-R458 HydrophobicContact CZ3-CG 4.39Å; W377-R458 VanDerWaalsContact NE1-NH2 3.18Å; W379-R458 HydrophobicContact CD2-CB 4.08Å; W379-R458 HydrophobicContact CD2-CG 4.11Å; W379-R458 HydrophobicContact CE3-CB 4.07Å; W379-R458 HydrophobicContact CH2-CB 4.09Å; W379-R458 HydrophobicContact CH2-CG 4.26Å; W379-R458 HydrophobicContact CZ2-CB 4.1Å; W379-R458 HydrophobicContact CZ2-CG 3.77Å; W379-R458 HydrophobicContact CZ3-CB 4.08Å; E409-R458 IonicContact OE1-CZ 3.24Å; E409-R458 IonicContact OE1-NH2 3.42Å; E409-R458 PolarHBondContact OE1-NH2 3.07Å; E409-R458 IonicContact OE2-CZ 3.76Å; E409-R458 IonicContact OE2-NE 2.78Å; E409-R458 PolarHBondContact OE2-NE 2.76Å; E409-R458 IonicContact OE2-NH2 2.94Å; E409-R458 PolarHBondContact OE2-NH2 3.17Å; F443-R458 HydrophobicContact CE1-CB 4.03Å
459R94.5Very high89.2Confident13 Ų1359.7 Ų59.75%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-130.9145.5178.5-62.9-54-165.9-114.4-2.4111.6Y322 P325 D328 N347 I378 Y380 C457Y322-R459 WeakPolarHBondContact O-CD 3.39Å; Y322-R459 WeakPolarHBondContact O-CG 3.26Å; Y322-R459 PolarHBondContact O-NE 3.34Å; P325-R459 HydrophobicContact CB-CG 4.23Å; D328-R459 IonicContact OD1-NH2 3.79Å; N347-R459 PolarHBondContact OD1-NH2 3.43Å; I378-R459 WeakPolarHBondContact CA-O 3.35Å; I378-R459 PolarHBondContact N-O 3.46Å; I378-R459 PolarHBondContact O-N 3.48Å; I378-R459 VanDerWaalsContact O-O 3.08Å; Y380-R459 HydrophobicContact CE2-CB 4.11Å; C457-R459 PolarHBondContact SG-NH1 3.33Å
460P95.5Very high88.3Confident2 Ų258.7 Ų58.71%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-76.2154.9174.732.1-31000110.3Y322 C323 T375 D376 W377Y322-P460 HydrophobicContact CD1-CG 3.81Å; Y322-P460 HydrophobicContact CE1-CG 3.82Å; C323-P460 WeakPolarHBondContact CB-O 3.06Å; C323-P460 PolarHBondContact SG-O 3.34Å; T375-P460 HydrophobicContact CG2-CB 3.77Å; D376-P460 CarbonylContact O-C 3.51Å; D376-P460 VanDerWaalsContact O-CA 3.32Å; D376-P460 WeakPolarHBondContact O-CA 3.43Å; W377-P460 HydrophobicContact CE3-CB 4.08Å; W377-P460 HydrophobicContact CZ3-CB 4.09Å; W377-P460 HydrophobicContact CZ3-CG 4.16Å
461K92.2Very high87.3Confident126 Ų12653.7 Ų53.755%0.54829%0.285SS..PPolyproline II helixtrans-70.8128165.8-170.8176179.61770109.6D376 I378D376-K461 HydrophobicContact CB-CB 4.15Å; D376-K461 PolarHBondContact O-N 3.15Å; I378-K461 HydrophobicContact CD1-CB 3.98Å; I378-K461 HydrophobicContact CD1-CG 4.35Å; I378-K461 HydrophobicContact CG1-CB 4.49Å
462Y93.4Very high86.1Confident61 Ų6154.4 Ų54.424%0.23928%0.278CS..PPolyproline II helixtrans-62.7139.4179.1-176.8-125000111.4E319 E320 C323E319-Y462 HydrophobicContact CB-CD2 4.27Å; E319-Y462 HydrophobicContact CB-CE2 4.07Å; E319-Y462 HydrophobicContact CG-CD2 3.71Å; E319-Y462 HydrophobicContact CG-CE2 3.95Å; E320-Y462 HydrophobicContact CB-CD1 4.38Å; E320-Y462 HydrophobicContact CB-CD2 4.09Å; E320-Y462 HydrophobicContact CB-CE1 4.11Å; E320-Y462 HydrophobicContact CB-CE2 3.84Å; E320-Y462 HydrophobicContact CB-CG 4.37Å; E320-Y462 HydrophobicContact CG-CD1 4.2Å; E320-Y462 HydrophobicContact CG-CE1 4.1Å; E320-Y462 HydrophobicContact CG-CG 4.49Å; C323-Y462 WeakPolarHBondContact SG-CA 3.42Å; C323-Y462 VanDerWaalsContact SG-CB 3.59Å; C323-Y462 PolarHBondContact SG-N 3.48Å; C323-Y462 VanDerWaalsContact SG-N 3.42Å
463V89.5Confident84.2Confident30 Ų3055.7 Ų55.718%0.18229%0.286CS..  trans-130.2111.2174.6-176.20000107.3P298 Y299 L373 D467 V468P298-V463 HydrophobicContact CG-CB 4.03Å; P298-V463 HydrophobicContact CG-CG1 4.17Å; P298-V463 HydrophobicContact CG-CG2 4.48Å; Y299-V463 WeakPolarHBondContact CE1-O 3.18Å; Y299-V463 PolarHBondContact OH-O 2.83Å; L373-V463 HydrophobicContact CD2-CG1 4.19Å; V463-D467 HydrophobicContact CG1-CB 3.69Å; V463-V468 HydrophobicContact CG1-CG2 3.75Å
464S89.3Confident81.7Confident18 Ų1853.6 Ų53.613%0.12627%0.274CS..  trans-71.8159.4-180660000111.7Q466 D467 V468S464-Q466 PolarHBondContact O-N 3.03Å; S464-D467 WeakPolarHBondContact CB-OD2 3.48Å; S464-D467 PolarHBondContact N-OD2 3.43Å; S464-D467 WeakPolarHBondContact O-CA 3.33Å; S464-D467 WeakPolarHBondContact O-CB 3.33Å; S464-D467 PolarHBondContact O-N 3.09Å; S464-D467 PolarHBondContact OG-N 3.26Å; S464-D467 PolarHBondContact OG-OD2 3.17Å; S464-V468 WeakPolarHBondContact O-CG2 3.48Å; S464-V468 PolarHBondContact O-N 3.25Å
465P89.5Confident79.1Confident38 Ų3854.9 Ų54.925%0.24728%0.284CS..Hα-helixtrans-55.2-32.1169.5-25.133.9000112.9L297 E316 V468 T469L297-P465 HydrophobicContact CD2-CB 4.15Å; L297-P465 HydrophobicContact CD2-CG 4.11Å; E316-P465 HydrophobicContact CG-CG 3.64Å; P465-V468 PolarHBondContact O-N 3.35Å; P465-T469 WeakPolarHBondContact O-CB 3.31Å; P465-T469 PolarHBondContact O-N 2.87Å; P465-T469 PolarHBondContact O-OG1 3.48Å
466Q81.1Confident76.2Confident128 Ų12849.6 Ų49.660%0.59826%0.264SS*.Hα-helixtrans-67.4-39.9172.9-66.177.210.700111.4S464 T469 T470S464-Q466 PolarHBondContact O-N 3.03Å; Q466-T469 PolarHBondContact O-N 3.22Å; Q466-T470 WeakPolarHBondContact O-CA 3.05Å; Q466-T470 WeakPolarHBondContact O-CB 3.46Å; Q466-T470 PolarHBondContact O-N 2.82Å; Q466-T470 PolarHBondContact O-OG1 3.02Å
467D77.8Confident73.2Confident72 Ų7256.9 Ų56.939%0.38530%0.295SS..Hα-helixtrans-66.5-38.2173.8-63.5-46.4000111.4V463 S464 T470 L471V463-D467 HydrophobicContact CG1-CB 3.69Å; S464-D467 WeakPolarHBondContact CB-OD2 3.48Å; S464-D467 PolarHBondContact N-OD2 3.43Å; S464-D467 WeakPolarHBondContact O-CA 3.33Å; S464-D467 WeakPolarHBondContact O-CB 3.33Å; S464-D467 PolarHBondContact O-N 3.09Å; S464-D467 PolarHBondContact OG-N 3.26Å; S464-D467 PolarHBondContact OG-OD2 3.17Å; D467-T470 CarbonylContact O-C 3.54Å; D467-T470 PolarHBondContact O-N 2.88Å; D467-L471 VanDerWaalsContact O-CB 3.25Å; D467-L471 WeakPolarHBondContact O-CB 3.36Å; D467-L471 WeakPolarHBondContact O-CG 3.49Å; D467-L471 PolarHBondContact O-N 3.32Å
468V80.9Confident70.4Confident3 Ų359.4 Ų59.42%0.01831%0.305CS..Hα-helixtrans-63.5-50.3174.6176.70000110.1I280 L297 P298 L373 V463 S464 P465 T470 L471 Q472I280-V468 HydrophobicContact CG2-CG1 4.12Å; L297-V468 HydrophobicContact CD2-CB 4.45Å; L297-V468 HydrophobicContact CD2-CG2 3.96Å; P298-V468 VanDerWaalsContact CD-CG2 3.48Å; P298-V468 HydrophobicContact CG-CG2 4.18Å; L373-V468 HydrophobicContact CD1-CG1 4.4Å; L373-V468 HydrophobicContact CD2-CG2 4.2Å; V463-V468 HydrophobicContact CG1-CG2 3.75Å; S464-V468 WeakPolarHBondContact O-CG2 3.48Å; S464-V468 PolarHBondContact O-N 3.25Å; P465-V468 PolarHBondContact O-N 3.35Å; V468-T470 VanDerWaalsContact C-N 3.29Å; V468-T470 PolarHBondContact O-N 3.24Å; V468-L471 CarbonylContact O-C 3.29Å; V468-L471 PolarHBondContact O-N 3.23Å; V468-L471 VanDerWaalsContact O-N 3.17Å; V468-Q472 HydrophobicContact CG1-CG 4.19Å; V468-Q472 VanDerWaalsContact CG1-NE2 3.34Å; V468-Q472 VanDerWaalsContact O-CB 3.28Å; V468-Q472 WeakPolarHBondContact O-CB 3.21Å; V468-Q472 WeakPolarHBondContact O-CG 3.48Å; V468-Q472 PolarHBondContact O-N 3.27Å
469T76.3Confident67.4Low70 Ų7063.2 Ų63.243%0.42933%0.334SS..Hα-helixtrans-61.2-41.5176.3-55.30000110.2P465 Q466 Q472 T473P465-T469 WeakPolarHBondContact O-CB 3.31Å; P465-T469 PolarHBondContact O-N 2.87Å; P465-T469 PolarHBondContact O-OG1 3.48Å; Q466-T469 PolarHBondContact O-N 3.22Å; T469-Q472 CarbonylContact O-C 3.53Å; T469-Q472 PolarHBondContact O-N 3.31Å; T469-T473 HydrophobicContact CG2-CG2 3.89Å; T469-T473 VanDerWaalsContact O-CB 3.24Å; T469-T473 WeakPolarHBondContact O-CB 3.34Å; T469-T473 VanDerWaalsContact O-CG2 3.3Å; T469-T473 WeakPolarHBondContact O-CG2 3.32Å; T469-T473 PolarHBondContact O-N 2.95Å; T469-T473 PolarHBondContact O-OG1 3.22Å
470T68.3Low64.5Low68 Ų6863.5 Ų63.542%0.41734%0.341SS..Hα-helixtrans-63.7-40.9175.6-61.30000110.5Q466 D467 V468 Q472 C474Q466-T470 WeakPolarHBondContact O-CA 3.05Å; Q466-T470 WeakPolarHBondContact O-CB 3.46Å; Q466-T470 PolarHBondContact O-N 2.82Å; Q466-T470 PolarHBondContact O-OG1 3.02Å; D467-T470 CarbonylContact O-C 3.54Å; D467-T470 PolarHBondContact O-N 2.88Å; V468-T470 VanDerWaalsContact C-N 3.29Å; V468-T470 PolarHBondContact O-N 3.24Å; T470-Q472 VanDerWaalsContact C-N 3.34Å; T470-C474 VanDerWaalsContact CG2-SG 3.5Å; T470-C474 WeakPolarHBondContact O-CA 3.45Å; T470-C474 WeakPolarHBondContact O-CB 3.42Å; T470-C474 PolarHBondContact O-N 3.47Å; T470-C474 PolarHBondContact O-SG 2.87Å
471L64.4Low61.6Low51 Ų5167.9 Ų67.927%0.26737%0.37SS..Hα-helixtrans-78-16.7176.4-71167.4000113.5I372 L373 D467 V468 C474 T476I372-L471 HydrophobicContact CD1-CB 4.36Å; I372-L471 WeakPolarHBondContact CD1-O 3.3Å; L373-L471 HydrophobicContact CD1-CB 4.3Å; L373-L471 HydrophobicContact CD2-CB 4.01Å; L373-L471 HydrophobicContact CD2-CD1 3.43Å; L373-L471 VanDerWaalsContact CD2-CD1 3.43Å; L373-L471 HydrophobicContact CD2-CG 4.36Å; L373-L471 HydrophobicContact CG-CB 4.16Å; L373-L471 HydrophobicContact CG-CD1 4.13Å; D467-L471 VanDerWaalsContact O-CB 3.25Å; D467-L471 WeakPolarHBondContact O-CB 3.36Å; D467-L471 WeakPolarHBondContact O-CG 3.49Å; D467-L471 PolarHBondContact O-N 3.32Å; V468-L471 CarbonylContact O-C 3.29Å; V468-L471 PolarHBondContact O-N 3.23Å; V468-L471 VanDerWaalsContact O-N 3.17Å; L471-C474 CarbonylContact C-O 3.57Å; L471-T476 HydrophobicContact CD2-CG2 4.01Å
472Q63Low59.4Low54 Ų5469.9 Ų69.925%0.25238%0.378SS..Hα-helixtrans-87.1-37.2172.6-76.4170.7-7.700112.4I280 V468 T469 T470I280-Q472 WeakPolarHBondContact O-CG 3.33Å; I280-Q472 PolarHBondContact O-NE2 3.45Å; V468-Q472 HydrophobicContact CG1-CG 4.19Å; V468-Q472 VanDerWaalsContact CG1-NE2 3.34Å; V468-Q472 VanDerWaalsContact O-CB 3.28Å; V468-Q472 WeakPolarHBondContact O-CB 3.21Å; V468-Q472 WeakPolarHBondContact O-CG 3.48Å; V468-Q472 PolarHBondContact O-N 3.27Å; T469-Q472 CarbonylContact O-C 3.53Å; T469-Q472 PolarHBondContact O-N 3.31Å; T470-Q472 VanDerWaalsContact C-N 3.34Å
473T50.2Low57.6Low103 Ų10369.5 Ų69.563%0.63239%0.385SS*.Hα-helixtrans-97.8-34.5-17658.30000112.1T469 N475T469-T473 HydrophobicContact CG2-CG2 3.89Å; T469-T473 VanDerWaalsContact O-CB 3.24Å; T469-T473 WeakPolarHBondContact O-CB 3.34Å; T469-T473 VanDerWaalsContact O-CG2 3.3Å; T469-T473 WeakPolarHBondContact O-CG2 3.32Å; T469-T473 PolarHBondContact O-N 2.95Å; T469-T473 PolarHBondContact O-OG1 3.22Å; T473-N475 VanDerWaalsContact C-N 3.31Å; T473-N475 PolarHBondContact O-N 3.5Å; T473-N475 VanDerWaalsContact O-N 3.16Å
474C40.4Very low56.5Low38 Ų3871.4 Ų71.426%0.25739%0.393SS..SBendtrans-7499.1149.9-47.10000105.4T470 L471 T476T470-C474 VanDerWaalsContact CG2-SG 3.5Å; T470-C474 WeakPolarHBondContact O-CA 3.45Å; T470-C474 WeakPolarHBondContact O-CB 3.42Å; T470-C474 PolarHBondContact O-N 3.47Å; T470-C474 PolarHBondContact O-SG 2.87Å; L471-C474 CarbonylContact C-O 3.57Å; C474-T476 PolarHBondContact O-N 3.45Å
475N38Very low55.7Low82 Ų8271.1 Ų71.144%0.43939%0.391SS..  -39102.6120.6-69.4-14.2000103.7T473 K477 E539T473-N475 VanDerWaalsContact C-N 3.31Å; T473-N475 PolarHBondContact O-N 3.5Å; T473-N475 VanDerWaalsContact O-N 3.16Å; N475-K477 PolarHBondContact O-N 2.99Å; N475-E539 PolarHBondContact ND2-OE1 3.24Å; N475-E539 PolarHBondContact ND2-OE2 2.9Å
476T33.3Very low55Low33 Ų3377.3 Ų77.320%0.20242%0.422CS..  trans-33.8126.6-173.212.70000105.8I372 L471 C474 F478I372-T476 HydrophobicContact CG2-CG2 4.28Å; L471-T476 HydrophobicContact CD2-CG2 4.01Å; C474-T476 PolarHBondContact O-N 3.45Å; T476-F478 HydrophobicContact CG2-CE1 4.49Å; T476-F478 VanDerWaalsContact O-CD2 3.23Å; T476-F478 WeakPolarHBondContact O-CD2 3.37Å; T476-F478 PolarHBondContact O-N 3.1Å; T476-F478 WeakPolarHBondContact OG1-CD1 3.41Å; T476-F478 WeakPolarHBondContact OG1-CD2 3.36Å; T476-F478 WeakPolarHBondContact OG1-CE1 3.47Å; T476-F478 WeakPolarHBondContact OG1-CE2 3.12Å; T476-F478 WeakPolarHBondContact OG1-CZ 2.96Å
477K31.1Very low54.9Low163 Ų16375.2 Ų75.271%0.70941%0.409SS*.  trans-59.675.3158.8-75.3-177.4-179.3176.70104.7N475N475-K477 PolarHBondContact O-N 2.99Å
478F35.7Very low55.1Low61 Ų6172.3 Ų72.327%0.26839%0.393SS..  trans-57.2133.2167-72.7-60.6000101.8T476 G480 W543T476-F478 HydrophobicContact CG2-CE1 4.49Å; T476-F478 VanDerWaalsContact O-CD2 3.23Å; T476-F478 WeakPolarHBondContact O-CD2 3.37Å; T476-F478 PolarHBondContact O-N 3.1Å; T476-F478 WeakPolarHBondContact OG1-CD1 3.41Å; T476-F478 WeakPolarHBondContact OG1-CD2 3.36Å; T476-F478 WeakPolarHBondContact OG1-CE1 3.47Å; T476-F478 WeakPolarHBondContact OG1-CE2 3.12Å; T476-F478 WeakPolarHBondContact OG1-CZ 2.96Å; F478-G480 PolarHBondContact O-N 3.37Å; F478-G480 VanDerWaalsContact O-O 3.09Å; F478-W543 AromaticContact CD1-CD1 3.12Å; F478-W543 HydrophobicContact CD1-CG 4.1Å; F478-W543 AromaticContact CD1-NE1 3.69Å; F478-W543 HydrophobicContact CE1-CB 4.38Å; F478-W543 AromaticContact CE1-CD1 2.97Å; F478-W543 AromaticContact CE1-CG 3.73Å; F478-W543 HydrophobicContact CE1-CG 3.73Å; F478-W543 AromaticContact CE1-NE1 3.33Å; F478-W543 VanDerWaalsContact CE1-NE1 3.33Å; F478-W543 HydrophobicContact CE2-CB 4.31Å; F478-W543 HydrophobicContact CE2-CG 4.48Å; F478-W543 AromaticContact CG-CD1 3.84Å; F478-W543 HydrophobicContact CZ-CB 4.2Å; F478-W543 AromaticContact CZ-CD1 3.61Å; F478-W543 AromaticContact CZ-CG 3.91Å; F478-W543 HydrophobicContact CZ-CG 3.91Å
479P30.9Very low54.8Low113 Ų11375.1 Ų75.173%0.73441%0.407SS*.SBendtrans-68.741.2167.8-14.629.5000110.6
480G33.6Very low54.5Low19 Ų1976.4 Ų76.420%0.19642%0.419CS..SBendtrans-117.4142.6168.700000107F478 K482F478-G480 PolarHBondContact O-N 3.37Å; F478-G480 VanDerWaalsContact O-O 3.09Å; G480-K482 PolarHBondContact O-N 3.41Å
481P35.3Very low54.1Low95 Ų9578.3 Ų78.362%0.61744%0.435SS*.  trans-55.9126.4-173.820.2-29.9000110.7S483P481-S483 PolarHBondContact O-N 3.4Å
482K44.8Very low53.9Low168 Ų16876.2 Ų76.273%0.7343%0.425SS*.  trans-68.853.1166.2-70.9-172.6172.4-165.90110.6G480 I484G480-K482 PolarHBondContact O-N 3.41Å; K482-I484 PolarHBondContact O-N 2.93Å
483S56.8Low53.7Low53 Ų5376.2 Ų76.237%0.37143%0.427SS..  trans-95.589.4169.653.50000107.8P481 P485 W538P481-S483 PolarHBondContact O-N 3.4Å; S483-P485 WeakPolarHBondContact O-CD 3.41Å; S483-W538 PolarHBondContact O-NE1 3.27Å; S483-W538 VanDerWaalsContact O-NE1 3.1Å
484I65.2Low53.9Low69 Ų6973.7 Ų73.735%0.35441%0.412SS..  trans-52.7122.6141.4-65.5175.3000103.9K482 D486 W488 L493 L535K482-I484 PolarHBondContact O-N 2.93Å; I484-D486 PolarHBondContact O-N 3.2Å; I484-W488 HydrophobicContact CG2-CB 3.78Å; I484-W488 HydrophobicContact CG2-CD2 4.08Å; I484-W488 HydrophobicContact CG2-CE3 3.8Å; I484-W488 HydrophobicContact CG2-CG 4.09Å; I484-L493 HydrophobicContact CD1-CD1 4.2Å; I484-L535 HydrophobicContact CD1-CD1 4.03Å; I484-L535 HydrophobicContact CG1-CD1 3.99Å
485P73.1Confident54.2Low13 Ų1379.7 Ų79.78%0.08444%0.442CS..  trans-60138-174.3-22.432.7000110.2S483 Y487 W488 W538S483-P485 WeakPolarHBondContact O-CD 3.41Å; P485-Y487 HydrophobicContact CB-CD1 3.57Å; P485-Y487 HydrophobicContact CB-CD2 4.34Å; P485-Y487 HydrophobicContact CB-CE1 3.13Å; P485-Y487 HydrophobicContact CB-CE2 3.95Å; P485-Y487 HydrophobicContact CB-CG 4.15Å; P485-Y487 HydrophobicContact CG-CE1 4.05Å; P485-Y487 HydrophobicContact CG-CE2 4.45Å; P485-Y487 PolarHBondContact O-N 3.45Å; P485-W488 HydrophobicContact CB-CG 4.37Å; P485-W488 HydrophobicContact CG-CD2 4.48Å; P485-W488 HydrophobicContact CG-CG 4.33Å; P485-W488 VanDerWaalsContact O-CB 3.25Å; P485-W488 WeakPolarHBondContact O-CB 3.09Å; P485-W488 PolarHBondContact O-N 2.95Å; P485-W538 HydrophobicContact CG-CH2 3.78Å; P485-W538 HydrophobicContact CG-CZ2 3.29Å
486D75.6Confident54.8Low167 Ų16781.7 Ų81.789%0.89346%0.459SS*.THydrogen-bonded Turntrans-61.2-19.4-174.4-55.1-34.7000113.2I484 W488I484-D486 PolarHBondContact O-N 3.2Å; D486-W488 VanDerWaalsContact C-N 3.27Å
487Y78.2Confident56.4Low84 Ų8481.6 Ų81.633%0.32946%0.464SS..THydrogen-bonded Turntrans-81.5-0.317462.6-97.4000113.7P485 E509 R531 E672P485-Y487 HydrophobicContact CB-CD1 3.57Å; P485-Y487 HydrophobicContact CB-CD2 4.34Å; P485-Y487 HydrophobicContact CB-CE1 3.13Å; P485-Y487 HydrophobicContact CB-CE2 3.95Å; P485-Y487 HydrophobicContact CB-CG 4.15Å; P485-Y487 HydrophobicContact CG-CE1 4.05Å; P485-Y487 HydrophobicContact CG-CE2 4.45Å; P485-Y487 PolarHBondContact O-N 3.45Å; Y487-E509 WeakPolarHBondContact CD2-OE1 3.36Å; Y487-R531 PolarHBondContact O-NH2 2.95Å; Y487-E672 PolarHBondContact OH-OE1 2.78Å
488W81Confident59Low12 Ų1276 Ų765%0.04544%0.44CS..SBendtrans-76.5144.9173-7832.5000111.5I484 P485 D486 S490 L493 Q533 L535 W538 Y670I484-W488 HydrophobicContact CG2-CB 3.78Å; I484-W488 HydrophobicContact CG2-CD2 4.08Å; I484-W488 HydrophobicContact CG2-CE3 3.8Å; I484-W488 HydrophobicContact CG2-CG 4.09Å; P485-W488 HydrophobicContact CB-CG 4.37Å; P485-W488 HydrophobicContact CG-CD2 4.48Å; P485-W488 HydrophobicContact CG-CG 4.33Å; P485-W488 VanDerWaalsContact O-CB 3.25Å; P485-W488 WeakPolarHBondContact O-CB 3.09Å; P485-W488 PolarHBondContact O-N 2.95Å; D486-W488 VanDerWaalsContact C-N 3.27Å; W488-S490 PolarHBondContact O-N 3.02Å; W488-L493 HydrophobicContact CE3-CD2 3.58Å; W488-L493 HydrophobicContact CZ3-CD2 3.7Å; W488-Q533 VanDerWaalsContact CA-OE1 3.29Å; W488-Q533 VanDerWaalsContact CB-OE1 3.22Å; W488-Q533 HydrophobicContact CD2-CG 4.34Å; W488-Q533 HydrophobicContact CE3-CB 4.3Å; W488-Q533 HydrophobicContact CE3-CG 4.39Å; W488-Q533 HydrophobicContact CZ3-CB 4.25Å; W488-L535 HydrophobicContact CZ3-CD1 4.37Å; W488-W538 HydrophobicContact CH2-CB 3.62Å; W488-W538 HydrophobicContact CH2-CD2 4.29Å; W488-W538 AromaticContact CH2-CG 3.84Å; W488-W538 HydrophobicContact CH2-CG 3.84Å; W488-W538 HydrophobicContact CZ2-CB 4.16Å; W488-W538 AromaticContact CZ2-CD2 3.97Å; W488-W538 HydrophobicContact CZ2-CD2 3.97Å; W488-W538 HydrophobicContact CZ2-CE3 4.05Å; W488-W538 HydrophobicContact CZ2-CG 4.02Å; W488-W538 HydrophobicContact CZ3-CB 4.49Å; W488-Y670 VanDerWaalsContact CH2-OH 3.24Å; W488-Y670 WeakPolarHBondContact CH2-OH 3.5Å; W488-Y670 HydrophobicContact CZ2-CE1 4.1Å; W488-Y670 AromaticContact CZ2-CZ 3.71Å; W488-Y670 WeakPolarHBondContact CZ2-OH 3.14Å
489D75.6Confident61.3Low62 Ų6277 Ų7733%0.33245%0.445SS..  trans-84.5101.9172.8-178.6-8.3000107.7S491 A492 R531 Q533D489-S491 PolarHBondContact O-N 3.22Å; D489-S491 WeakPolarHBondContact OD1-CB 3.47Å; D489-S491 PolarHBondContact OD1-N 3.49Å; D489-S491 PolarHBondContact OD1-OG 2.8Å; D489-S491 PolarHBondContact OD2-OG 3.14Å; D489-A492 HydrophobicContact CB-CB 4.04Å; D489-A492 PolarHBondContact O-N 3.44Å; D489-R531 VanDerWaalsContact N-NH2 3.2Å; D489-Q533 PolarHBondContact O-NE2 3.39Å
490S69.5Low64.3Low96 Ų9674.8 Ų74.867%0.67143%0.425SS*.G310 helixtrans-61.3-21.7179.7-58.90000113.5W488 A492W488-S490 PolarHBondContact O-N 3.02Å; S490-A492 VanDerWaalsContact C-N 3.29Å
491S60.6Low67.1Low109 Ų10975.7 Ų75.776%0.76243%0.425SS*.G310 helixtrans-80.6-12.817775.10000113.1D489D489-S491 PolarHBondContact O-N 3.22Å; D489-S491 WeakPolarHBondContact OD1-CB 3.47Å; D489-S491 PolarHBondContact OD1-N 3.49Å; D489-S491 PolarHBondContact OD1-OG 2.8Å; D489-S491 PolarHBondContact OD2-OG 3.14Å
492A59.7Low70.1Confident7 Ų775.2 Ų75.26%0.05842%0.42CS..G310 helixtrans-114.937.9-173.200000112.7D489 S490 P494 Q499 I501 Q533D489-A492 HydrophobicContact CB-CB 4.04Å; D489-A492 PolarHBondContact O-N 3.44Å; S490-A492 VanDerWaalsContact C-N 3.29Å; A492-P494 VanDerWaalsContact O-CD 3.3Å; A492-P494 WeakPolarHBondContact O-CD 3.5Å; A492-Q499 PolarHBondContact O-OE1 2.89Å; A492-I501 HydrophobicContact CB-CD1 3.62Å; A492-Q533 VanDerWaalsContact C-NE2 3.35Å; A492-Q533 PolarHBondContact O-NE2 2.59Å
493L59.7Low72.4Confident54 Ų5468 Ų6828%0.28339%0.389SS..  trans-105.497174.8-67.3169.7000110I484 W488 Q533I484-L493 HydrophobicContact CD1-CD1 4.2Å; W488-L493 HydrophobicContact CE3-CD2 3.58Å; W488-L493 HydrophobicContact CZ3-CD2 3.7Å; L493-Q533 HydrophobicContact CD2-CB 4.32Å
494P52.9Low74.2Confident49 Ų4968.6 Ų68.632%0.31839%0.394SS..  trans-74.9132.3176.828.5-32.7000111.2A492 G497 Q499A492-P494 VanDerWaalsContact O-CD 3.3Å; A492-P494 WeakPolarHBondContact O-CD 3.5Å; P494-G497 PolarHBondContact O-N 3.32Å; P494-Q499 HydrophobicContact CG-CB 4.43Å
495D47.7Very low75.5Confident165 Ų16569 Ų6988%0.88240%0.403SS*.THydrogen-bonded Turntrans-109.5104.3166-174.714.9000109.6
496P51.3Low76.4Confident124 Ų12473.3 Ų73.381%0.80543%0.433SS*.THydrogen-bonded Turncis-98147.8-5.835.1-30.4000113.9
497G66.8Low77.3Confident30 Ų3066.9 Ų66.931%0.30940%0.401SS..SBendtrans158.3-154.7170.400000115.2P494P494-G497 PolarHBondContact O-N 3.32Å
498F84.6Confident78Confident46 Ų4669.4 Ų69.420%0.20242%0.416CS..  trans-137.3157.9168.573.4-86.1000109.7K500 V532 Q533 N534 D572 C575 Q576F498-K500 HydrophobicContact CD2-CG 4.19Å; F498-K500 HydrophobicContact CE2-CD 4.07Å; F498-K500 HydrophobicContact CE2-CG 3.93Å; F498-V532 HydrophobicContact CD2-CG1 4.46Å; F498-Q533 CarbonylContact C-O 3.57Å; F498-Q533 WeakPolarHBondContact CA-O 3.41Å; F498-N534 HydrophobicContact CB-CB 3.86Å; F498-D572 HydrophobicContact CZ-CB 4.01Å; F498-C575 HydrophobicContact CD1-CB 4.06Å; F498-C575 HydrophobicContact CD2-CB 3.39Å; F498-C575 HydrophobicContact CE1-CB 4Å; F498-C575 HydrophobicContact CE2-CB 3.29Å; F498-C575 HydrophobicContact CG-CB 3.78Å; F498-C575 HydrophobicContact CZ-CB 3.62Å; F498-Q576 HydrophobicContact CD1-CB 3.72Å; F498-Q576 HydrophobicContact CD1-CG 4.27Å; F498-Q576 HydrophobicContact CE1-CB 3.78Å
499Q85.5Confident78.6Confident81 Ų8170.8 Ų70.838%0.37942%0.423SS..EExtended strand (participates in β ladder)trans-130147.1172.3-132.6158.410.500110.6A492 P494 I501 Q533A492-Q499 PolarHBondContact O-OE1 2.89Å; P494-Q499 HydrophobicContact CG-CB 4.43Å; Q499-I501 HydrophobicContact CB-CD1 4.42Å; Q499-Q533 PolarHBondContact N-O 3.3Å; Q499-Q533 PolarHBondContact O-N 3.2Å
500K93.3Very high79.6Confident68 Ų6868.8 Ų68.830%0.29641%0.411SS..EExtended strand (participates in β ladder)trans-110.3112.3177.1-71.5-179-61.9-164.30108.1F498 E530 R531 D572 L674F498-K500 HydrophobicContact CD2-CG 4.19Å; F498-K500 HydrophobicContact CE2-CD 4.07Å; F498-K500 HydrophobicContact CE2-CG 3.93Å; K500-E530 HydrophobicContact CB-CB 4.21Å; K500-R531 CarbonylContact C-O 3.57Å; K500-R531 WeakPolarHBondContact CA-O 3.29Å; K500-D572 IonicContact NZ-OD1 2.59Å; K500-D572 PolarHBondContact NZ-OD1 2.72Å; K500-L674 HydrophobicContact CD-CD2 4.26Å
501I93Very high80.9Confident38 Ų3867.7 Ų67.720%0.19540%0.395CS..EExtended strand (participates in β ladder)trans-98.2112.3-179.2-49.8-55.8000108.1A492 Q499 L503 E530 R531 Q533A492-I501 HydrophobicContact CB-CD1 3.62Å; Q499-I501 HydrophobicContact CB-CD1 4.42Å; I501-L503 PolarHBondContact O-N 2.94Å; I501-E530 CarbonylContact O-C 3.34Å; I501-E530 VanDerWaalsContact O-CA 3.29Å; I501-E530 WeakPolarHBondContact O-CA 3.29Å; I501-R531 PolarHBondContact N-O 3.11Å; I501-R531 PolarHBondContact O-N 3.39Å; I501-Q533 HydrophobicContact CG1-CG 4.05Å
502T96.3Very high82.6Confident85 Ų8568.2 Ų68.252%0.52138%0.383SS..EExtended strand (participates in β ladder)trans-68.9119.7176-61.40000109.1K528T502-K528 HydrophobicContact CG2-CB 4.4Å
503L94Very high84.4Confident16 Ų1668 Ų688%0.08438%0.381CS..PPolyproline II helixtrans-77.1141.5-179.5-59.2-175.4000110.7I501 S505 E509 Y510 I529 R531 Y673I501-L503 PolarHBondContact O-N 2.94Å; L503-S505 PolarHBondContact O-N 3.1Å; L503-E509 HydrophobicContact CD1-CB 4.44Å; L503-E509 HydrophobicContact CD1-CG 3.86Å; L503-E509 WeakPolarHBondContact CD2-OE2 3.35Å; L503-Y510 HydrophobicContact CB-CD2 4.09Å; L503-I529 HydrophobicContact CD1-CB 4.5Å; L503-I529 HydrophobicContact CD1-CG2 3.91Å; L503-I529 PolarHBondContact N-O 3.44Å; L503-R531 HydrophobicContact CD2-CB 3.89Å; L503-R531 HydrophobicContact CG-CB 4.3Å; L503-Y673 HydrophobicContact CD1-CD1 4.04Å; L503-Y673 HydrophobicContact CD1-CE1 3.9Å
504S94.5Very high86.2Confident66 Ų6668.9 Ų68.946%0.46238%0.381SS..PPolyproline II helixtrans-66.1132.9170.51760000110.1S506 S507 Y510S504-S506 PolarHBondContact O-N 3.46Å; S504-S506 VanDerWaalsContact O-N 3.1Å; S504-S506 PolarHBondContact OG-N 2.96Å; S504-S506 PolarHBondContact OG-OG 2.85Å; S504-S507 WeakPolarHBondContact O-CB 3.19Å; S504-S507 PolarHBondContact O-N 2.88Å; S504-S507 PolarHBondContact O-OG 2.88Å; S504-Y510 WeakPolarHBondContact O-CB 3.49Å
505S92.8Very high88.3Confident78 Ų7870.7 Ų70.755%0.54539%0.388SS..THydrogen-bonded Turntrans-61.6-19178.158.50000113.8L503 Q511L503-S505 PolarHBondContact O-N 3.1Å; S505-Q511 PolarHBondContact O-NE2 2.68Å
506S91.8Very high90.6Very high102 Ų10265.5 Ų65.571%0.71336%0.36SS*.THydrogen-bonded Turntrans-90-6.6175.259.10000114.2S504S504-S506 PolarHBondContact O-N 3.46Å; S504-S506 VanDerWaalsContact O-N 3.1Å; S504-S506 PolarHBondContact OG-N 2.96Å; S504-S506 PolarHBondContact OG-OG 2.85Å
507S94.3Very high92.8Very high32 Ų3259.6 Ų59.622%0.22432%0.322CS..SBendtrans-74146.7-179.367.40000112.2S504 E509 Y510 Q511S504-S507 WeakPolarHBondContact O-CB 3.19Å; S504-S507 PolarHBondContact O-N 2.88Å; S504-S507 PolarHBondContact O-OG 2.88Å; S507-E509 PolarHBondContact O-N 3.47Å; S507-Y510 PolarHBondContact O-N 2.72Å; S507-Y510 WeakPolarHBondContact OG-CB 3.47Å; S507-Y510 PolarHBondContact OG-N 2.79Å; S507-Q511 WeakPolarHBondContact O-CG 3.32Å; S507-Q511 PolarHBondContact O-N 3.18Å
508E93.5Very high94.2Very high138 Ų13860.2 Ų60.265%0.64532%0.318SS*.Hα-helixtrans-59.7-38176.4-167.9-165.6156.200111.7Q511 K512E508-Q511 PolarHBondContact O-N 2.91Å; E508-K512 WeakPolarHBondContact O-CG 3.3Å; E508-K512 PolarHBondContact O-N 3.16Å; E508-K512 WeakPolarHBondContact OE1-CE 3.23Å; E508-K512 IonicContact OE1-NZ 3.25Å; E508-K512 PolarHBondContact OE1-NZ 2.84Å
509E93.8Very high94.7Very high41 Ų4165.9 Ų65.919%0.19234%0.338CS..Hα-helixtrans-60-49176.5-172.6178.7-14900111.7Y487 L503 S507 Q511 K512 V513 R531 Y673Y487-E509 WeakPolarHBondContact CD2-OE1 3.36Å; L503-E509 HydrophobicContact CD1-CB 4.44Å; L503-E509 HydrophobicContact CD1-CG 3.86Å; L503-E509 WeakPolarHBondContact CD2-OE2 3.35Å; S507-E509 PolarHBondContact O-N 3.47Å; E509-Q511 VanDerWaalsContact C-N 3.34Å; E509-Q511 PolarHBondContact O-N 3.35Å; E509-K512 PolarHBondContact O-N 3.12Å; E509-V513 PolarHBondContact O-N 3.18Å; E509-R531 WeakPolarHBondContact OE1-CD 3.39Å; E509-R531 IonicContact OE1-NE 3.09Å; E509-Y673 HydrophobicContact CG-CE1 4.04Å; E509-Y673 PolarHBondContact OE1-OH 3.28Å
510Y96.8Very high95.2Very high20 Ų2063.9 Ų63.98%0.07833%0.331CS..Hα-helixtrans-58-47.4174.7-179.7-78.1000111.2L503 S504 S507 K512 V513 W514 V526 I529L503-Y510 HydrophobicContact CB-CD2 4.09Å; S504-Y510 WeakPolarHBondContact O-CB 3.49Å; S507-Y510 PolarHBondContact O-N 2.72Å; S507-Y510 WeakPolarHBondContact OG-CB 3.47Å; S507-Y510 PolarHBondContact OG-N 2.79Å; Y510-K512 VanDerWaalsContact C-N 3.3Å; Y510-K512 PolarHBondContact O-N 3.19Å; Y510-V513 PolarHBondContact O-N 3.35Å; Y510-W514 HydrophobicContact CD1-CB 4.09Å; Y510-W514 HydrophobicContact CE1-CB 3.83Å; Y510-W514 HydrophobicContact CE1-CG 4.03Å; Y510-W514 VanDerWaalsContact O-CB 3.26Å; Y510-W514 WeakPolarHBondContact O-CB 3.33Å; Y510-W514 PolarHBondContact O-N 2.98Å; Y510-V526 WeakPolarHBondContact OH-CG1 3.36Å; Y510-I529 HydrophobicContact CD1-CD1 4.31Å; Y510-I529 HydrophobicContact CD2-CB 3.83Å; Y510-I529 HydrophobicContact CD2-CD1 3.69Å; Y510-I529 HydrophobicContact CD2-CG1 3.9Å; Y510-I529 HydrophobicContact CE1-CD1 4.17Å; Y510-I529 HydrophobicContact CE2-CB 3.84Å; Y510-I529 HydrophobicContact CE2-CD1 3.54Å; Y510-I529 HydrophobicContact CE2-CG1 3.52Å; Y510-I529 HydrophobicContact CG-CD1 4.06Å
511Q96.3Very high95.3Very high73 Ų7361.1 Ų61.134%0.34132%0.32SS..Hα-helixtrans-62.1-37.1-177.4-68.8-61.9-36.200112S505 S507 E508 E509 N515S505-Q511 PolarHBondContact O-NE2 2.68Å; S507-Q511 WeakPolarHBondContact O-CG 3.32Å; S507-Q511 PolarHBondContact O-N 3.18Å; E508-Q511 PolarHBondContact O-N 2.91Å; E509-Q511 VanDerWaalsContact C-N 3.34Å; E509-Q511 PolarHBondContact O-N 3.35Å; Q511-N515 VanDerWaalsContact O-CB 3.25Å; Q511-N515 WeakPolarHBondContact O-CB 2.83Å; Q511-N515 PolarHBondContact O-N 3.36Å; Q511-N515 PolarHBondContact O-ND2 3.36Å
512K95.8Very high95.3Very high119 Ų11962.5 Ų62.552%0.51733%0.331SS..Hα-helixtrans-61.3-50.2174.1-74.8172.6-178.4166.30112.1E508 E509 Y510 N515 L516E508-K512 WeakPolarHBondContact O-CG 3.3Å; E508-K512 PolarHBondContact O-N 3.16Å; E508-K512 WeakPolarHBondContact OE1-CE 3.23Å; E508-K512 IonicContact OE1-NZ 3.25Å; E508-K512 PolarHBondContact OE1-NZ 2.84Å; E509-K512 PolarHBondContact O-N 3.12Å; Y510-K512 VanDerWaalsContact C-N 3.3Å; Y510-K512 PolarHBondContact O-N 3.19Å; K512-N515 PolarHBondContact O-N 3.5Å; K512-L516 WeakPolarHBondContact O-CG 3.48Å; K512-L516 PolarHBondContact O-N 2.89Å
513V97.5Very high95.1Very high3 Ų367.3 Ų67.32%0.01835%0.345CS..Hα-helixtrans-65-43.2179.5-1800000110.8E509 Y510 L516 F517 I529 L619 Y673 I675E509-V513 PolarHBondContact O-N 3.18Å; Y510-V513 PolarHBondContact O-N 3.35Å; V513-L516 PolarHBondContact O-N 3.45Å; V513-F517 PolarHBondContact O-N 3.06Å; V513-F517 VanDerWaalsContact O-N 3.17Å; V513-I529 HydrophobicContact CB-CD1 3.98Å; V513-I529 HydrophobicContact CB-CG2 4.3Å; V513-I529 HydrophobicContact CG1-CD1 3.85Å; V513-I529 HydrophobicContact CG1-CG2 3.88Å; V513-L619 HydrophobicContact CB-CD2 4.38Å; V513-L619 HydrophobicContact CG1-CD2 3.84Å; V513-L619 HydrophobicContact CG2-CD2 4.2Å; V513-Y673 HydrophobicContact CG1-CG 4.41Å; V513-Y673 HydrophobicContact CG2-CD1 4.02Å; V513-Y673 HydrophobicContact CG2-CD2 3.64Å; V513-Y673 HydrophobicContact CG2-CE1 4.06Å; V513-Y673 HydrophobicContact CG2-CE2 3.67Å; V513-Y673 HydrophobicContact CG2-CG 3.83Å; V513-I675 HydrophobicContact CG1-CD1 3.67Å; V513-I675 HydrophobicContact CG1-CG1 3.96Å
514W97.2Very high95.1Very high72 Ų7269.3 Ų69.327%0.27335%0.352SS..Hα-helixtrans-61.9-44.7178-177.485.4000112Y510 L516 F517 N518 I529Y510-W514 HydrophobicContact CD1-CB 4.09Å; Y510-W514 HydrophobicContact CE1-CB 3.83Å; Y510-W514 HydrophobicContact CE1-CG 4.03Å; Y510-W514 VanDerWaalsContact O-CB 3.26Å; Y510-W514 WeakPolarHBondContact O-CB 3.33Å; Y510-W514 PolarHBondContact O-N 2.98Å; W514-L516 PolarHBondContact O-N 2.84Å; W514-F517 PolarHBondContact O-N 2.96Å; W514-N518 HydrophobicContact CD2-CB 4.19Å; W514-N518 HydrophobicContact CE3-CB 4.21Å; W514-N518 HydrophobicContact CH2-CB 4.02Å; W514-N518 VanDerWaalsContact CH2-CG 3.49Å; W514-N518 WeakPolarHBondContact CH2-ND2 3.47Å; W514-N518 HydrophobicContact CZ2-CB 3.98Å; W514-N518 WeakPolarHBondContact CZ2-OD1 3.33Å; W514-N518 HydrophobicContact CZ3-CB 4.14Å; W514-N518 WeakPolarHBondContact O-CB 3.35Å; W514-N518 PolarHBondContact O-N 3.41Å; W514-I529 HydrophobicContact CB-CD1 4.14Å
515N96.9Very high95Very high88 Ų8869.4 Ų69.447%0.47134%0.344SS..Hα-helixtrans-61.6-41.6178.5-78-35000112.4Q511 K512 F517 N518 R519Q511-N515 VanDerWaalsContact O-CB 3.25Å; Q511-N515 WeakPolarHBondContact O-CB 2.83Å; Q511-N515 PolarHBondContact O-N 3.36Å; Q511-N515 PolarHBondContact O-ND2 3.36Å; K512-N515 PolarHBondContact O-N 3.5Å; N515-F517 VanDerWaalsContact C-N 3.33Å; N515-F517 PolarHBondContact O-N 3.06Å; N515-N518 PolarHBondContact O-N 3.33Å; N515-R519 WeakPolarHBondContact O-CB 2.94Å; N515-R519 PolarHBondContact O-N 2.68Å; N515-R519 VanDerWaalsContact O-N 3.07Å
516L97.3Very high95.2Very high56 Ų5666 Ų6629%0.29332%0.32SS..Hα-helixtrans-61.5-42.1176-71173000111.8K512 V513 W514 F563 L619K512-L516 WeakPolarHBondContact O-CG 3.48Å; K512-L516 PolarHBondContact O-N 2.89Å; V513-L516 PolarHBondContact O-N 3.45Å; W514-L516 PolarHBondContact O-N 2.84Å; L516-F563 HydrophobicContact CB-CZ 3.96Å; L516-L619 HydrophobicContact CD1-CD2 3.89Å
517F97.4Very high95.3Very high0 Ų065 Ų650%030%0.304CS..Hα-helixtrans-66.4-52.6176.1175.7-86.1000111.4V513 W514 N515 R519 T520 L521 V526 F563 A601 M617 I675 Y677V513-F517 PolarHBondContact O-N 3.06Å; V513-F517 VanDerWaalsContact O-N 3.17Å; W514-F517 PolarHBondContact O-N 2.96Å; N515-F517 VanDerWaalsContact C-N 3.33Å; N515-F517 PolarHBondContact O-N 3.06Å; F517-R519 PolarHBondContact O-N 3.28Å; F517-T520 PolarHBondContact O-N 3.48Å; F517-L521 HydrophobicContact CD1-CB 4.24Å; F517-L521 HydrophobicContact CD2-CD1 4.19Å; F517-L521 HydrophobicContact CE1-CB 3.73Å; F517-L521 HydrophobicContact CE1-CD1 4.36Å; F517-L521 HydrophobicContact CE2-CB 4.37Å; F517-L521 HydrophobicContact CE2-CD1 3.52Å; F517-L521 HydrophobicContact CZ-CB 3.8Å; F517-L521 HydrophobicContact CZ-CD1 3.6Å; F517-L521 HydrophobicContact CZ-CG 4.37Å; F517-L521 PolarHBondContact O-N 2.94Å; F517-V526 HydrophobicContact CD1-CG2 3.7Å; F517-V526 HydrophobicContact CE1-CG2 3.71Å; F517-V526 HydrophobicContact CG-CG2 4.42Å; F517-V526 HydrophobicContact CZ-CG2 4.39Å; F517-F563 HydrophobicContact CB-CE1 4.32Å; F517-F563 HydrophobicContact CB-CZ 4.38Å; F517-F563 HydrophobicContact CD2-CE1 4.49Å; F517-A601 HydrophobicContact CD2-CB 4.05Å; F517-M617 HydrophobicContact CD2-CE 4.39Å; F517-M617 HydrophobicContact CD2-SD 3.84Å; F517-M617 HydrophobicContact CE2-CE 3.81Å; F517-M617 HydrophobicContact CE2-SD 3.81Å; F517-I675 HydrophobicContact CB-CD1 4.28Å; F517-I675 HydrophobicContact CD2-CD1 4.13Å; F517-I675 HydrophobicContact CD2-CG2 4.09Å; F517-I675 HydrophobicContact CE2-CG2 4.24Å; F517-Y677 AromaticContact CE2-CD1 3.76Å; F517-Y677 HydrophobicContact CE2-CD1 3.76Å; F517-Y677 HydrophobicContact CE2-CD2 4.24Å; F517-Y677 AromaticContact CE2-CE1 3.96Å; F517-Y677 HydrophobicContact CE2-CE1 3.96Å; F517-Y677 HydrophobicContact CE2-CE2 4.37Å; F517-Y677 AromaticContact CE2-CG 3.93Å; F517-Y677 HydrophobicContact CE2-CG 3.93Å; F517-Y677 AromaticContact CZ-CD1 3.92Å; F517-Y677 HydrophobicContact CZ-CD1 3.92Å; F517-Y677 AromaticContact CZ-CD2 3.66Å; F517-Y677 HydrophobicContact CZ-CD2 3.66Å; F517-Y677 HydrophobicContact CZ-CE1 4.35Å; F517-Y677 HydrophobicContact CZ-CE2 4.08Å; F517-Y677 AromaticContact CZ-CG 3.57Å; F517-Y677 HydrophobicContact CZ-CG 3.57Å
518N96.1Very high95.4Very high42 Ų4266.4 Ų66.423%0.22531%0.306CS..Hα-helixtrans-62.1-27.3-174-168.567.8000112.6W514 N515 T520 P522W514-N518 HydrophobicContact CD2-CB 4.19Å; W514-N518 HydrophobicContact CE3-CB 4.21Å; W514-N518 HydrophobicContact CH2-CB 4.02Å; W514-N518 VanDerWaalsContact CH2-CG 3.49Å; W514-N518 WeakPolarHBondContact CH2-ND2 3.47Å; W514-N518 HydrophobicContact CZ2-CB 3.98Å; W514-N518 WeakPolarHBondContact CZ2-OD1 3.33Å; W514-N518 HydrophobicContact CZ3-CB 4.14Å; W514-N518 WeakPolarHBondContact O-CB 3.35Å; W514-N518 PolarHBondContact O-N 3.41Å; N515-N518 PolarHBondContact O-N 3.33Å; N518-T520 PolarHBondContact O-N 2.92Å; N518-T520 VanDerWaalsContact O-N 3.12Å; N518-P522 WeakPolarHBondContact O-CA 3.46Å; N518-P522 WeakPolarHBondContact OD1-CA 3.25Å
519R95.7Very high95.6Very high165 Ų16559.9 Ų59.962%0.62328%0.276SS*.THydrogen-bonded Turntrans-55.2-30.6176.9-168.917172172.52.9113.8N515 F517N515-R519 WeakPolarHBondContact O-CB 2.94Å; N515-R519 PolarHBondContact O-N 2.68Å; N515-R519 VanDerWaalsContact O-N 3.07Å; F517-R519 PolarHBondContact O-N 3.28Å
520T95.3Very high95.8Very high40 Ų4058.6 Ų58.625%0.24527%0.27CS..THydrogen-bonded Turntrans-124.1-11.2-179.1640000113.7F517 N518 P522 D600 A601 A602F517-T520 PolarHBondContact O-N 3.48Å; N518-T520 PolarHBondContact O-N 2.92Å; N518-T520 VanDerWaalsContact O-N 3.12Å; T520-P522 VanDerWaalsContact C-CD 3.42Å; T520-D600 HydrophobicContact CG2-CB 3.98Å; T520-A601 WeakPolarHBondContact OG1-CB 3.45Å; T520-A601 PolarHBondContact OG1-N 2.94Å; T520-A602 PolarHBondContact OG1-N 2.82Å; T520-A602 VanDerWaalsContact OG1-N 3.14Å
521L94.3Very high95.8Very high10 Ų1057.9 Ų57.95%0.05227%0.267CS..  trans-127.358.7175.1-70.2175.3000112F517 F523 Y524 A601 A602 H605 M617F517-L521 HydrophobicContact CD1-CB 4.24Å; F517-L521 HydrophobicContact CD2-CD1 4.19Å; F517-L521 HydrophobicContact CE1-CB 3.73Å; F517-L521 HydrophobicContact CE1-CD1 4.36Å; F517-L521 HydrophobicContact CE2-CB 4.37Å; F517-L521 HydrophobicContact CE2-CD1 3.52Å; F517-L521 HydrophobicContact CZ-CB 3.8Å; F517-L521 HydrophobicContact CZ-CD1 3.6Å; F517-L521 HydrophobicContact CZ-CG 4.37Å; F517-L521 PolarHBondContact O-N 2.94Å; L521-F523 VanDerWaalsContact C-N 3.26Å; L521-F523 PolarHBondContact O-N 3.43Å; L521-Y524 HydrophobicContact CB-CD2 3.92Å; L521-Y524 HydrophobicContact CD2-CD2 3.74Å; L521-Y524 HydrophobicContact CD2-CE2 3.59Å; L521-Y524 HydrophobicContact CG-CD2 4.37Å; L521-Y524 PolarHBondContact O-N 2.83Å; L521-A601 HydrophobicContact CD1-CB 3.74Å; L521-A601 HydrophobicContact CG-CB 4.19Å; L521-A602 HydrophobicContact CD2-CB 4.03Å; L521-A602 HydrophobicContact CG-CB 4.28Å; L521-H605 HydrophobicContact CD1-CB 4.19Å; L521-H605 HydrophobicContact CD2-CB 4.32Å; L521-M617 HydrophobicContact CD1-CE 3.75Å
522P94.4Very high95.7Very high67 Ų6754.4 Ų54.444%0.43525%0.251SS..THydrogen-bonded Turntrans-70.4-18.2-171.829-36.7000114.8N518 T520N518-P522 WeakPolarHBondContact O-CA 3.46Å; N518-P522 WeakPolarHBondContact OD1-CA 3.25Å; T520-P522 VanDerWaalsContact C-CD 3.42Å
523F91.8Very high95.5Very high186 Ų18648.8 Ų48.882%0.81623%0.226SC*.THydrogen-bonded Turntrans-95.73.9-176-51.9-59.6000113.7L521L521-F523 VanDerWaalsContact C-N 3.26Å; L521-F523 PolarHBondContact O-N 3.43Å
524Y92.9Very high94.9Very high58 Ų5848.9 Ų48.923%0.22723%0.227CC..SBendtrans-103.5135.3-179.5-69.7-99.1000110.3L521 H605 Y677 T679L521-Y524 HydrophobicContact CB-CD2 3.92Å; L521-Y524 HydrophobicContact CD2-CD2 3.74Å; L521-Y524 HydrophobicContact CD2-CE2 3.59Å; L521-Y524 HydrophobicContact CG-CD2 4.37Å; L521-Y524 PolarHBondContact O-N 2.83Å; Y524-H605 AromaticContact CE1-CE1 3.62Å; Y524-H605 AromaticContact CE1-NE2 3.96Å; Y524-H605 AromaticContact CZ-CE1 3.97Å; Y524-H605 AromaticContact CZ-NE2 3.87Å; Y524-H605 PolarHBondContact OH-NE2 3.09Å; Y524-Y677 AromaticContact CD1-CD2 3.66Å; Y524-Y677 HydrophobicContact CD1-CD2 3.66Å; Y524-Y677 AromaticContact CD1-CE2 3.77Å; Y524-Y677 HydrophobicContact CD1-CE2 3.77Å; Y524-Y677 HydrophobicContact CE1-CE2 4.22Å; Y524-Y677 HydrophobicContact CG-CD2 4.06Å; Y524-Y677 HydrophobicContact CG-CE2 4.31Å; Y524-T679 HydrophobicContact CD1-CG2 3.96Å; Y524-T679 HydrophobicContact CE1-CG2 3.38Å
525F93.2Very high94Very high68 Ų6847.8 Ų47.830%0.29823%0.226SC..EExtended strand (participates in β ladder)trans-87.6118178.4179.3-103.5000110.3Q527 Y677 T678 K682F525-Q527 HydrophobicContact CD1-CG 4.15Å; F525-Q527 HydrophobicContact CE1-CG 4.32Å; F525-Q527 PolarHBondContact O-N 3.44Å; F525-Y677 CarbonylContact O-C 3.59Å; F525-Y677 WeakPolarHBondContact O-CA 3.43Å; F525-Y677 WeakPolarHBondContact O-CB 3.28Å; F525-T678 HydrophobicContact CB-CG2 3.93Å; F525-T678 HydrophobicContact CD1-CG2 3.99Å; F525-T678 HydrophobicContact CG-CG2 4.47Å; F525-T678 PolarHBondContact N-O 3.19Å; F525-T678 PolarHBondContact O-N 3.25Å; F525-K682 HydrophobicContact CD2-CB 4.04Å; F525-K682 HydrophobicContact CD2-CG 4.12Å; F525-K682 HydrophobicContact CE2-CB 4.13Å; F525-K682 HydrophobicContact CE2-CD 4.01Å; F525-K682 HydrophobicContact CE2-CG 3.68Å; F525-K682 HydrophobicContact CZ-CG 4.15Å
526V96.4Very high93.1Very high6 Ų646.8 Ų46.84%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-75.2116.6173.1179.60000109Y510 F517 I529 I675Y510-V526 WeakPolarHBondContact OH-CG1 3.36Å; F517-V526 HydrophobicContact CD1-CG2 3.7Å; F517-V526 HydrophobicContact CE1-CG2 3.71Å; F517-V526 HydrophobicContact CG-CG2 4.42Å; F517-V526 HydrophobicContact CZ-CG2 4.39Å; V526-I529 HydrophobicContact CG1-CD1 4.14Å; V526-I529 HydrophobicContact CG1-CG1 3.69Å; V526-I675 HydrophobicContact CG1-CG2 4.04Å; V526-I675 HydrophobicContact CG2-CG2 4.33Å
527Q94.7Very high92.5Very high80 Ų8045.1 Ų45.137%0.37422%0.221SC..EExtended strand (participates in β ladder)trans-80.2-44.9179.6-65.7-178.2-41.400111.2F525 Q676 T678F525-Q527 HydrophobicContact CD1-CG 4.15Å; F525-Q527 HydrophobicContact CE1-CG 4.32Å; F525-Q527 PolarHBondContact O-N 3.44Å; Q527-Q676 PolarHBondContact N-O 2.86Å; Q527-T678 HydrophobicContact CG-CG2 4.07Å
528K95.9Very high91.9Very high63 Ų6345.6 Ų45.627%0.27422%0.223SC..EExtended strand (participates in β ladder)trans-157.8155.9175.161.4172-179.7168.10111.6T502 E530 Q676T502-K528 HydrophobicContact CG2-CB 4.4Å; K528-E530 HydrophobicContact CD-CG 4.03Å; K528-E530 WeakPolarHBondContact CE-OE2 3.47Å; K528-E530 IonicContact NZ-OE1 3.18Å; K528-E530 PolarHBondContact NZ-OE1 2.93Å; K528-E530 IonicContact NZ-OE2 2.85Å; K528-E530 PolarHBondContact NZ-OE2 3.1Å; K528-E530 VanDerWaalsContact NZ-OE2 3.09Å; K528-Q676 HydrophobicContact CG-CB 3.89Å; K528-Q676 PolarHBondContact N-O 3.28Å; K528-Q676 PolarHBondContact O-N 3.01Å
529I98.1Very high91Very high0 Ų046.4 Ų46.40%023%0.225CC..EExtended strand (participates in β ladder)trans-122.4124.9169.2-57.9178.1000106.9L503 Y510 V513 W514 V526 Y673 L674 I675L503-I529 HydrophobicContact CD1-CB 4.5Å; L503-I529 HydrophobicContact CD1-CG2 3.91Å; L503-I529 PolarHBondContact N-O 3.44Å; Y510-I529 HydrophobicContact CD1-CD1 4.31Å; Y510-I529 HydrophobicContact CD2-CB 3.83Å; Y510-I529 HydrophobicContact CD2-CD1 3.69Å; Y510-I529 HydrophobicContact CD2-CG1 3.9Å; Y510-I529 HydrophobicContact CE1-CD1 4.17Å; Y510-I529 HydrophobicContact CE2-CB 3.84Å; Y510-I529 HydrophobicContact CE2-CD1 3.54Å; Y510-I529 HydrophobicContact CE2-CG1 3.52Å; Y510-I529 HydrophobicContact CG-CD1 4.06Å; V513-I529 HydrophobicContact CB-CD1 3.98Å; V513-I529 HydrophobicContact CB-CG2 4.3Å; V513-I529 HydrophobicContact CG1-CD1 3.85Å; V513-I529 HydrophobicContact CG1-CG2 3.88Å; W514-I529 HydrophobicContact CB-CD1 4.14Å; V526-I529 HydrophobicContact CG1-CD1 4.14Å; V526-I529 HydrophobicContact CG1-CG1 3.69Å; I529-Y673 HydrophobicContact CG2-CD1 4.26Å; I529-L674 WeakPolarHBondContact CA-O 3.38Å; I529-I675 HydrophobicContact CG1-CG1 4.46Å; I529-I675 HydrophobicContact CG1-CG2 4.44Å
530E97.4Very high90.2Very high15 Ų1539.9 Ų39.97%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-114.2126.4179-66.4172.5126.900109.5K500 I501 K528 Y673 L674K500-E530 HydrophobicContact CB-CB 4.21Å; I501-E530 CarbonylContact O-C 3.34Å; I501-E530 VanDerWaalsContact O-CA 3.29Å; I501-E530 WeakPolarHBondContact O-CA 3.29Å; K528-E530 HydrophobicContact CD-CG 4.03Å; K528-E530 WeakPolarHBondContact CE-OE2 3.47Å; K528-E530 IonicContact NZ-OE1 3.18Å; K528-E530 PolarHBondContact NZ-OE1 2.93Å; K528-E530 IonicContact NZ-OE2 2.85Å; K528-E530 PolarHBondContact NZ-OE2 3.1Å; K528-E530 VanDerWaalsContact NZ-OE2 3.09Å; E530-Y673 CarbonylContact O-C 3.51Å; E530-Y673 WeakPolarHBondContact O-CA 3.39Å; E530-L674 HydrophobicContact CB-CB 4.3Å; E530-L674 PolarHBondContact N-O 2.9Å; E530-L674 PolarHBondContact O-N 3.17Å
531R96.8Very high89.9Confident5 Ų538 Ų382%0.01919%0.192CC..EExtended strand (participates in β ladder)trans-83.1129.7171.2-175171.266.170.89.6109.8Y487 D489 K500 I501 L503 E509 Q533 Y673Y487-R531 PolarHBondContact O-NH2 2.95Å; D489-R531 VanDerWaalsContact N-NH2 3.2Å; K500-R531 CarbonylContact C-O 3.57Å; K500-R531 WeakPolarHBondContact CA-O 3.29Å; I501-R531 PolarHBondContact N-O 3.11Å; I501-R531 PolarHBondContact O-N 3.39Å; L503-R531 HydrophobicContact CD2-CB 3.89Å; L503-R531 HydrophobicContact CG-CB 4.3Å; E509-R531 WeakPolarHBondContact OE1-CD 3.39Å; E509-R531 IonicContact OE1-NE 3.09Å; R531-Q533 VanDerWaalsContact NH1-CD 3.33Å; R531-Y673 HydrophobicContact CB-CD1 3.93Å; R531-Y673 HydrophobicContact CB-CE1 3.92Å; R531-Y673 HydrophobicContact CG-CD1 4.13Å; R531-Y673 HydrophobicContact CG-CE1 3.79Å
532V94.6Very high89.5Confident0 Ų038.8 Ų38.80%020%0.195CC..EExtended strand (participates in β ladder)trans-89.9123.4178-174.80000108.7F498 C575 F618 Y670 P671 E672F498-V532 HydrophobicContact CD2-CG1 4.46Å; V532-C575 HydrophobicContact CG1-CB 4.07Å; V532-F618 HydrophobicContact CG2-CE1 4.43Å; V532-Y670 PolarHBondContact O-OH 3.35Å; V532-P671 WeakPolarHBondContact CB-O 3.43Å; V532-P671 VanDerWaalsContact CG2-O 3.24Å; V532-P671 WeakPolarHBondContact CG2-O 3.41Å; V532-E672 PolarHBondContact N-O 2.93Å
533Q90.6Very high88.8Confident1 Ų136.8 Ų36.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-105.1105.5168.6-55.7-154.8136.300109W488 D489 A492 L493 F498 Q499 I501 R531W488-Q533 VanDerWaalsContact CA-OE1 3.29Å; W488-Q533 VanDerWaalsContact CB-OE1 3.22Å; W488-Q533 HydrophobicContact CD2-CG 4.34Å; W488-Q533 HydrophobicContact CE3-CB 4.3Å; W488-Q533 HydrophobicContact CE3-CG 4.39Å; W488-Q533 HydrophobicContact CZ3-CB 4.25Å; D489-Q533 PolarHBondContact O-NE2 3.39Å; A492-Q533 VanDerWaalsContact C-NE2 3.35Å; A492-Q533 PolarHBondContact O-NE2 2.59Å; L493-Q533 HydrophobicContact CD2-CB 4.32Å; F498-Q533 CarbonylContact C-O 3.57Å; F498-Q533 WeakPolarHBondContact CA-O 3.41Å; Q499-Q533 PolarHBondContact N-O 3.3Å; Q499-Q533 PolarHBondContact O-N 3.2Å; I501-Q533 HydrophobicContact CG1-CG 4.05Å; R531-Q533 VanDerWaalsContact NH1-CD 3.33Å
534N85Confident88.5Confident5 Ų529.2 Ų29.23%0.02715%0.147CC..  trans-132.1102.1170.6-175.6-36.9000108.2F498 A536 L537 W538 C575 Q576 Y670F498-N534 HydrophobicContact CB-CB 3.86Å; N534-A536 PolarHBondContact O-N 2.84Å; N534-A536 PolarHBondContact OD1-N 2.92Å; N534-L537 HydrophobicContact CB-CB 4.1Å; N534-L537 HydrophobicContact CB-CD1 4.26Å; N534-L537 HydrophobicContact CB-CG 4.29Å; N534-L537 WeakPolarHBondContact ND2-CD1 3.27Å; N534-L537 WeakPolarHBondContact ND2-CG 3.33Å; N534-L537 PolarHBondContact O-N 3.38Å; N534-L537 PolarHBondContact OD1-N 2.91Å; N534-W538 WeakPolarHBondContact O-CB 3.34Å; N534-W538 PolarHBondContact O-N 3.28Å; N534-C575 PolarHBondContact ND2-O 3.28Å; N534-Q576 PolarHBondContact ND2-O 2.93Å; N534-Y670 HydrophobicContact CB-CE2 4.46Å; N534-Y670 PolarHBondContact N-OH 3.18Å
535L79.4Confident88.2Confident49 Ų4929 Ų2926%0.25715%0.147SC..Hα-helixtrans-62.7-43.3-173.9-172.664.1000111.4I484 W488 L537 W538 E539I484-L535 HydrophobicContact CD1-CD1 4.03Å; I484-L535 HydrophobicContact CG1-CD1 3.99Å; W488-L535 HydrophobicContact CZ3-CD1 4.37Å; L535-L537 PolarHBondContact O-N 3.01Å; L535-W538 PolarHBondContact O-N 3.46Å; L535-E539 HydrophobicContact CD1-CG 4.33Å; L535-E539 HydrophobicContact CG-CG 4.38Å; L535-E539 WeakPolarHBondContact O-CB 3.42Å; L535-E539 VanDerWaalsContact O-CG 3.3Å; L535-E539 WeakPolarHBondContact O-CG 3.18Å; L535-E539 PolarHBondContact O-N 2.91Å
536A77.3Confident87.6Confident67 Ų6726.4 Ų26.455%0.55414%0.139SC*.Hα-helixtrans-62.8-41.5179.900000112.5N534 V540N534-A536 PolarHBondContact O-N 2.84Å; N534-A536 PolarHBondContact OD1-N 2.92Å; A536-V540 PolarHBondContact O-N 2.9Å
537L85.4Confident86.7Confident20 Ų2028.4 Ų28.411%0.10515%0.148CC..Hα-helixtrans-70.2-35.2175.3-68.3-174.5000112.2N534 L535 V540 Y541 N578 Y670 P671N534-L537 HydrophobicContact CB-CB 4.1Å; N534-L537 HydrophobicContact CB-CD1 4.26Å; N534-L537 HydrophobicContact CB-CG 4.29Å; N534-L537 WeakPolarHBondContact ND2-CD1 3.27Å; N534-L537 WeakPolarHBondContact ND2-CG 3.33Å; N534-L537 PolarHBondContact O-N 3.38Å; N534-L537 PolarHBondContact OD1-N 2.91Å; L535-L537 PolarHBondContact O-N 3.01Å; L537-V540 WeakPolarHBondContact O-CG1 3.3Å; L537-Y541 VanDerWaalsContact O-CB 3.22Å; L537-Y541 WeakPolarHBondContact O-CB 3.24Å; L537-Y541 PolarHBondContact O-N 3.38Å; L537-Y541 VanDerWaalsContact O-N 3.07Å; L537-N578 HydrophobicContact CD1-CB 3.96Å; L537-N578 HydrophobicContact CD2-CB 3.87Å; L537-Y670 HydrophobicContact CB-CD2 3.98Å; L537-Y670 HydrophobicContact CB-CE2 3.94Å; L537-P671 HydrophobicContact CD1-CG 4.31Å
538W84.8Confident86.3Confident11 Ų1124.9 Ų24.94%0.04213%0.132CC..Hα-helixtrans-66.5-45.2177.3-177.4-106.7000112.1S483 P485 W488 N534 L535 V540 Y541 Q542 Y670S483-W538 PolarHBondContact O-NE1 3.27Å; S483-W538 VanDerWaalsContact O-NE1 3.1Å; P485-W538 HydrophobicContact CG-CH2 3.78Å; P485-W538 HydrophobicContact CG-CZ2 3.29Å; W488-W538 HydrophobicContact CH2-CB 3.62Å; W488-W538 HydrophobicContact CH2-CD2 4.29Å; W488-W538 AromaticContact CH2-CG 3.84Å; W488-W538 HydrophobicContact CH2-CG 3.84Å; W488-W538 HydrophobicContact CZ2-CB 4.16Å; W488-W538 AromaticContact CZ2-CD2 3.97Å; W488-W538 HydrophobicContact CZ2-CD2 3.97Å; W488-W538 HydrophobicContact CZ2-CE3 4.05Å; W488-W538 HydrophobicContact CZ2-CG 4.02Å; W488-W538 HydrophobicContact CZ3-CB 4.49Å; N534-W538 WeakPolarHBondContact O-CB 3.34Å; N534-W538 PolarHBondContact O-N 3.28Å; L535-W538 PolarHBondContact O-N 3.46Å; W538-V540 PolarHBondContact O-N 3.07Å; W538-Y541 HydrophobicContact CE3-CD1 4.31Å; W538-Y541 HydrophobicContact CZ3-CD1 4.23Å; W538-Y541 HydrophobicContact CZ3-CE1 4.37Å; W538-Y541 WeakPolarHBondContact O-CB 3.43Å; W538-Y541 PolarHBondContact O-N 2.82Å; W538-Q542 HydrophobicContact CD2-CG 4.26Å; W538-Q542 HydrophobicContact CG-CG 4.49Å; W538-Q542 VanDerWaalsContact CH2-NE2 3.25Å; W538-Q542 HydrophobicContact CZ2-CG 4.07Å; W538-Q542 WeakPolarHBondContact O-CG 3.19Å; W538-Q542 PolarHBondContact O-N 3.06Å; W538-Y670 HydrophobicContact CB-CD2 4.32Å; W538-Y670 HydrophobicContact CB-CE2 3.86Å; W538-Y670 AromaticContact CE3-CD1 3.67Å; W538-Y670 HydrophobicContact CE3-CD1 3.67Å; W538-Y670 AromaticContact CE3-CD2 3.93Å; W538-Y670 HydrophobicContact CE3-CD2 3.93Å; W538-Y670 AromaticContact CE3-CE1 3.76Å; W538-Y670 HydrophobicContact CE3-CE1 3.76Å; W538-Y670 HydrophobicContact CE3-CE2 4.01Å; W538-Y670 AromaticContact CE3-CG 3.77Å; W538-Y670 HydrophobicContact CE3-CG 3.77Å; W538-Y670 AromaticContact CE3-CZ 3.95Å; W538-Y670 AromaticContact CZ3-CD1 3.8Å; W538-Y670 HydrophobicContact CZ3-CD1 3.8Å; W538-Y670 HydrophobicContact CZ3-CE1 4.11Å; W538-Y670 HydrophobicContact CZ3-CG 4.17Å
539E76.8Confident85.8Confident58 Ų5825.4 Ų25.427%0.27114%0.135SC..Hα-helixtrans-63.2-43.9-179.3-73.5179.7153.500111.9N475 L535 Y541 Q542 W543N475-E539 PolarHBondContact ND2-OE1 3.24Å; N475-E539 PolarHBondContact ND2-OE2 2.9Å; L535-E539 HydrophobicContact CD1-CG 4.33Å; L535-E539 HydrophobicContact CG-CG 4.38Å; L535-E539 WeakPolarHBondContact O-CB 3.42Å; L535-E539 VanDerWaalsContact O-CG 3.3Å; L535-E539 WeakPolarHBondContact O-CG 3.18Å; L535-E539 PolarHBondContact O-N 2.91Å; E539-Y541 VanDerWaalsContact C-N 3.33Å; E539-Y541 PolarHBondContact O-N 2.71Å; E539-Q542 PolarHBondContact O-N 2.74Å; E539-W543 WeakPolarHBondContact O-CB 3.33Å; E539-W543 PolarHBondContact O-N 3.49Å
540V79.9Confident85Confident28 Ų2831 Ų3117%0.1716%0.16CC..Hα-helixtrans-69.3-33177.375.40000112.1A536 L537 W538 W543 Q544 H667A536-V540 PolarHBondContact O-N 2.9Å; L537-V540 WeakPolarHBondContact O-CG1 3.3Å; W538-V540 PolarHBondContact O-N 3.07Å; V540-W543 PolarHBondContact O-N 2.88Å; V540-Q544 WeakPolarHBondContact O-CB 3.28Å; V540-Q544 PolarHBondContact O-N 3.2Å; V540-H667 HydrophobicContact CG2-CB 4.06Å; V540-H667 VanDerWaalsContact CG2-CD2 3.5Å; V540-H667 WeakPolarHBondContact CG2-CD2 3.47Å; V540-H667 VanDerWaalsContact CG2-CG 3.47Å
541Y88.5Confident84.1Confident0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-64.5-48.7173.3172.8-96.4000112L537 W538 E539 W543 Q544 K545 E559 R621 L623 H667L537-Y541 VanDerWaalsContact O-CB 3.22Å; L537-Y541 WeakPolarHBondContact O-CB 3.24Å; L537-Y541 PolarHBondContact O-N 3.38Å; L537-Y541 VanDerWaalsContact O-N 3.07Å; W538-Y541 HydrophobicContact CE3-CD1 4.31Å; W538-Y541 HydrophobicContact CZ3-CD1 4.23Å; W538-Y541 HydrophobicContact CZ3-CE1 4.37Å; W538-Y541 WeakPolarHBondContact O-CB 3.43Å; W538-Y541 PolarHBondContact O-N 2.82Å; E539-Y541 VanDerWaalsContact C-N 3.33Å; E539-Y541 PolarHBondContact O-N 2.71Å; Y541-W543 VanDerWaalsContact C-N 3.3Å; Y541-W543 PolarHBondContact O-N 3.13Å; Y541-Q544 PolarHBondContact O-N 3.34Å; Y541-K545 PolarHBondContact O-N 2.72Å; Y541-E559 VanDerWaalsContact OH-CG 3.31Å; Y541-E559 WeakPolarHBondContact OH-CG 3.3Å; Y541-E559 PolarHBondContact OH-OE1 3.25Å; Y541-R621 HydrophobicContact CE1-CB 4.37Å; Y541-R621 HydrophobicContact CE2-CB 4.25Å; Y541-R621 WeakPolarHBondContact OH-CB 3.3Å; Y541-L623 HydrophobicContact CD2-CD1 4.28Å; Y541-L623 HydrophobicContact CD2-CG 4.32Å; Y541-L623 HydrophobicContact CE2-CD1 4.01Å; Y541-L623 HydrophobicContact CE2-CD2 4.09Å; Y541-L623 HydrophobicContact CE2-CG 3.57Å; Y541-L623 WeakPolarHBondContact OH-CD2 3.41Å; Y541-H667 WeakPolarHBondContact CA-O 3.29Å
542Q85.4Confident83.4Confident27 Ų2739.4 Ų39.413%0.12620%0.201CC..Hα-helixtrans-64.6-35.8176.3-69.3-57.8-29.600111.9W538 E539 K545 G546W538-Q542 HydrophobicContact CD2-CG 4.26Å; W538-Q542 HydrophobicContact CG-CG 4.49Å; W538-Q542 VanDerWaalsContact CH2-NE2 3.25Å; W538-Q542 HydrophobicContact CZ2-CG 4.07Å; W538-Q542 WeakPolarHBondContact O-CG 3.19Å; W538-Q542 PolarHBondContact O-N 3.06Å; E539-Q542 PolarHBondContact O-N 2.74Å; Q542-K545 WeakPolarHBondContact O-CB 3.25Å; Q542-K545 PolarHBondContact O-N 3.03Å; Q542-G546 PolarHBondContact O-N 3.17Å
543W80.6Confident82.7Confident25 Ų2542.9 Ų42.910%0.09524%0.237CC..Hα-helixtrans-60.7-48.9171.9174.774.1000111.9H370 F478 E539 V540 Y541 K545 G546 Q547H370-W543 HydrophobicContact CB-CD2 4.08Å; H370-W543 HydrophobicContact CB-CE3 3.93Å; H370-W543 HydrophobicContact CB-CH2 3.48Å; H370-W543 VanDerWaalsContact CB-CH2 3.48Å; H370-W543 HydrophobicContact CB-CZ2 3.58Å; H370-W543 HydrophobicContact CB-CZ3 3.65Å; H370-W543 AromaticContact CG-CH2 3.78Å; H370-W543 AromaticContact CG-CZ3 3.78Å; H370-W543 AromaticContact ND1-CH2 3.32Å; H370-W543 VanDerWaalsContact ND1-CH2 3.32Å; H370-W543 WeakPolarHBondContact ND1-CH2 3.35Å; H370-W543 AromaticContact ND1-CZ3 3.34Å; H370-W543 VanDerWaalsContact ND1-CZ3 3.34Å; H370-W543 WeakPolarHBondContact ND1-CZ3 3.33Å; F478-W543 AromaticContact CD1-CD1 3.12Å; F478-W543 HydrophobicContact CD1-CG 4.1Å; F478-W543 AromaticContact CD1-NE1 3.69Å; F478-W543 HydrophobicContact CE1-CB 4.38Å; F478-W543 AromaticContact CE1-CD1 2.97Å; F478-W543 AromaticContact CE1-CG 3.73Å; F478-W543 HydrophobicContact CE1-CG 3.73Å; F478-W543 AromaticContact CE1-NE1 3.33Å; F478-W543 VanDerWaalsContact CE1-NE1 3.33Å; F478-W543 HydrophobicContact CE2-CB 4.31Å; F478-W543 HydrophobicContact CE2-CG 4.48Å; F478-W543 AromaticContact CG-CD1 3.84Å; F478-W543 HydrophobicContact CZ-CB 4.2Å; F478-W543 AromaticContact CZ-CD1 3.61Å; F478-W543 AromaticContact CZ-CG 3.91Å; F478-W543 HydrophobicContact CZ-CG 3.91Å; E539-W543 WeakPolarHBondContact O-CB 3.33Å; E539-W543 PolarHBondContact O-N 3.49Å; V540-W543 PolarHBondContact O-N 2.88Å; Y541-W543 VanDerWaalsContact C-N 3.3Å; Y541-W543 PolarHBondContact O-N 3.13Å; W543-K545 VanDerWaalsContact C-N 3.29Å; W543-K545 PolarHBondContact O-N 2.73Å; W543-G546 PolarHBondContact O-N 2.78Å; W543-G546 VanDerWaalsContact O-N 3.11Å; W543-Q547 HydrophobicContact CD2-CG 3.96Å; W543-Q547 VanDerWaalsContact CE2-CG 3.48Å; W543-Q547 HydrophobicContact CE3-CG 4.23Å; W543-Q547 HydrophobicContact CH2-CG 3.63Å; W543-Q547 HydrophobicContact CZ2-CG 3.35Å; W543-Q547 HydrophobicContact CZ3-CG 4.06Å; W543-Q547 WeakPolarHBondContact O-CG 3.12Å; W543-Q547 PolarHBondContact O-N 2.73Å
544Q84.4Confident82.3Confident28 Ų2845 Ų4513%0.13126%0.258CS..Hα-helixtrans-60.1-41.9178.4-178.561.739.500110.8V540 Y541 G546 Q547 M548 L623 H667 Q668V540-Q544 WeakPolarHBondContact O-CB 3.28Å; V540-Q544 PolarHBondContact O-N 3.2Å; Y541-Q544 PolarHBondContact O-N 3.34Å; Q544-G546 VanDerWaalsContact C-N 3.35Å; Q544-G546 PolarHBondContact O-N 3.38Å; Q544-Q547 PolarHBondContact O-N 2.91Å; Q544-M548 HydrophobicContact CG-SD 4.02Å; Q544-M548 WeakPolarHBondContact O-CG 3.21Å; Q544-M548 PolarHBondContact O-N 3.07Å; Q544-L623 HydrophobicContact CB-CD1 4.15Å; Q544-L623 HydrophobicContact CG-CD1 3.98Å; Q544-H667 HydrophobicContact CB-CB 4.04Å; Q544-H667 WeakPolarHBondContact CB-O 3.49Å; Q544-H667 HydrophobicContact CG-CB 4.24Å; Q544-Q668 HydrophobicContact CG-CG 3.93Å
545K87.9Confident82.4Confident52 Ų5251.5 Ų51.523%0.22629%0.286CS..Hα-helixtrans-56.7-47172.6-172.6175.5178.4175.90111.8Y541 Q542 W543 Q547 M548 Q549 E559 L623Y541-K545 PolarHBondContact O-N 2.72Å; Q542-K545 WeakPolarHBondContact O-CB 3.25Å; Q542-K545 PolarHBondContact O-N 3.03Å; W543-K545 VanDerWaalsContact C-N 3.29Å; W543-K545 PolarHBondContact O-N 2.73Å; K545-Q547 VanDerWaalsContact C-N 3.34Å; K545-Q547 PolarHBondContact O-N 3.31Å; K545-M548 PolarHBondContact O-N 2.98Å; K545-Q549 WeakPolarHBondContact O-CB 3.38Å; K545-Q549 PolarHBondContact O-N 2.86Å; K545-E559 WeakPolarHBondContact CE-OE2 3.08Å; K545-E559 IonicContact NZ-OE2 2.74Å; K545-E559 PolarHBondContact NZ-OE2 2.93Å; K545-L623 HydrophobicContact CB-CD1 3.69Å; K545-L623 HydrophobicContact CB-CD2 3.9Å; K545-L623 HydrophobicContact CB-CG 4.46Å; K545-L623 HydrophobicContact CD-CD2 4Å; K545-L623 HydrophobicContact CG-CD1 4.45Å; K545-L623 HydrophobicContact CG-CD2 3.78Å
546G78.9Confident82.7Confident14 Ų1453.2 Ų53.214%0.14431%0.308CS..Hα-helixtrans-62.4-37.2176.600000113.5Q542 W543 Q544 K550Q542-G546 PolarHBondContact O-N 3.17Å; W543-G546 PolarHBondContact O-N 2.78Å; W543-G546 VanDerWaalsContact O-N 3.11Å; Q544-G546 VanDerWaalsContact C-N 3.35Å; Q544-G546 PolarHBondContact O-N 3.38Å; G546-K550 WeakPolarHBondContact O-CG 2.82Å; G546-K550 PolarHBondContact O-N 3.42Å; G546-K550 VanDerWaalsContact O-N 3.1Å
547Q79.1Confident83.5Confident49 Ų4950.6 Ų50.623%0.22929%0.285CS..Hα-helixtrans-67.3-47.8175.1-65-48.7-64.300112W543 Q544 K545 Q549 K550 Q551W543-Q547 HydrophobicContact CD2-CG 3.96Å; W543-Q547 VanDerWaalsContact CE2-CG 3.48Å; W543-Q547 HydrophobicContact CE3-CG 4.23Å; W543-Q547 HydrophobicContact CH2-CG 3.63Å; W543-Q547 HydrophobicContact CZ2-CG 3.35Å; W543-Q547 HydrophobicContact CZ3-CG 4.06Å; W543-Q547 WeakPolarHBondContact O-CG 3.12Å; W543-Q547 PolarHBondContact O-N 2.73Å; Q544-Q547 PolarHBondContact O-N 2.91Å; K545-Q547 VanDerWaalsContact C-N 3.34Å; K545-Q547 PolarHBondContact O-N 3.31Å; Q547-Q549 VanDerWaalsContact C-N 3.27Å; Q547-Q549 PolarHBondContact O-N 3.45Å; Q547-K550 PolarHBondContact O-N 3.17Å; Q547-Q551 WeakPolarHBondContact O-CG 3.34Å; Q547-Q551 PolarHBondContact O-N 3.28Å
548M86.1Confident84Confident5 Ų552.4 Ų52.43%0.02529%0.294CS..Hα-helixtrans-61.2-39.1178.3-69.6170.873.800111Q544 K545 Q551 N552 V557 L623 D649 Q668Q544-M548 HydrophobicContact CG-SD 4.02Å; Q544-M548 WeakPolarHBondContact O-CG 3.21Å; Q544-M548 PolarHBondContact O-N 3.07Å; K545-M548 PolarHBondContact O-N 2.98Å; M548-Q551 PolarHBondContact O-N 3.16Å; M548-N552 VanDerWaalsContact O-CB 3.29Å; M548-N552 WeakPolarHBondContact O-CB 3.16Å; M548-N552 PolarHBondContact O-N 2.74Å; M548-V557 HydrophobicContact CB-CB 4.49Å; M548-V557 HydrophobicContact CB-CG1 4.12Å; M548-V557 HydrophobicContact CB-CG2 3.52Å; M548-V557 HydrophobicContact CE-CG1 3.6Å; M548-V557 HydrophobicContact SD-CG1 4.24Å; M548-L623 HydrophobicContact CE-CB 3.97Å; M548-L623 HydrophobicContact SD-CB 3.73Å; M548-L623 HydrophobicContact SD-CD1 3.85Å; M548-L623 HydrophobicContact SD-CG 4.42Å; M548-D649 HydrophobicContact CE-CB 3.67Å; M548-Q668 HydrophobicContact SD-CG 4.1Å
549Q85.4Confident84.6Confident74 Ų7454.2 Ų54.235%0.34630%0.303SS..Hα-helixtrans-62.3-45.2175.3-179.31646.400111.9K545 Q547 N552 G554 K555 V557K545-Q549 WeakPolarHBondContact O-CB 3.38Å; K545-Q549 PolarHBondContact O-N 2.86Å; Q547-Q549 VanDerWaalsContact C-N 3.27Å; Q547-Q549 PolarHBondContact O-N 3.45Å; Q549-N552 CarbonylContact O-C 3.6Å; Q549-N552 PolarHBondContact O-N 3.14Å; Q549-G554 WeakPolarHBondContact CG-O 3.44Å; Q549-G554 PolarHBondContact NE2-O 2.87Å; Q549-G554 VanDerWaalsContact O-CA 3.25Å; Q549-G554 WeakPolarHBondContact O-CA 3.49Å; Q549-G554 PolarHBondContact O-N 2.81Å; Q549-K555 WeakPolarHBondContact CG-O 3.28Å; Q549-V557 HydrophobicContact CB-CG2 3.93Å; Q549-V557 VanDerWaalsContact N-CG2 3.28Å
550K80.6Confident85.6Confident118 Ų11855 Ų5551%0.51330%0.304SS..Hα-helixtrans-62.8-42.6176.3-73.9177.6-178.4-173.20112G546 Q547 N552 G553G546-K550 WeakPolarHBondContact O-CG 2.82Å; G546-K550 PolarHBondContact O-N 3.42Å; G546-K550 VanDerWaalsContact O-N 3.1Å; Q547-K550 PolarHBondContact O-N 3.17Å; K550-N552 VanDerWaalsContact C-N 3.27Å; K550-N552 PolarHBondContact O-N 2.91Å; K550-G553 PolarHBondContact O-N 3.08Å
551Q77.9Confident86.5Confident148 Ų14857.5 Ų57.569%0.69231%0.314SS*.Hα-helixtrans-67.6-28.2178.2-70.1175.23.600112.5Q547 M548 G553Q547-Q551 WeakPolarHBondContact O-CG 3.34Å; Q547-Q551 PolarHBondContact O-N 3.28Å; M548-Q551 PolarHBondContact O-N 3.16Å; Q551-G553 VanDerWaalsContact C-N 3.27Å; Q551-G553 PolarHBondContact O-N 2.68Å
552N83.1Confident86.9Confident49 Ų4957.7 Ų57.726%0.26232%0.315SS..THydrogen-bonded Turntrans-90.327.3176.3-162.417.3000113.6M548 Q549 K550 G554 K555M548-N552 VanDerWaalsContact O-CB 3.29Å; M548-N552 WeakPolarHBondContact O-CB 3.16Å; M548-N552 PolarHBondContact O-N 2.74Å; Q549-N552 CarbonylContact O-C 3.6Å; Q549-N552 PolarHBondContact O-N 3.14Å; K550-N552 VanDerWaalsContact C-N 3.27Å; K550-N552 PolarHBondContact O-N 2.91Å; N552-G554 VanDerWaalsContact C-N 3.27Å; N552-G554 PolarHBondContact O-N 2.8Å; N552-K555 PolarHBondContact O-N 3.3Å
553G80.4Confident87.6Confident73 Ų7356.6 Ų56.675%0.75331%0.31SS*.THydrogen-bonded Turntrans64.528.8177.200000114.1K550 Q551 K555K550-G553 PolarHBondContact O-N 3.08Å; Q551-G553 VanDerWaalsContact C-N 3.27Å; Q551-G553 PolarHBondContact O-N 2.68Å; G553-K555 VanDerWaalsContact C-N 3.32Å; G553-K555 PolarHBondContact O-N 2.91Å
554G80.9Confident88.3Confident44 Ų4456.5 Ų56.545%0.45431%0.31SS..THydrogen-bonded Turntrans86-6.2179.100000115Q549 N552Q549-G554 WeakPolarHBondContact CG-O 3.44Å; Q549-G554 PolarHBondContact NE2-O 2.87Å; Q549-G554 VanDerWaalsContact O-CA 3.25Å; Q549-G554 WeakPolarHBondContact O-CA 3.49Å; Q549-G554 PolarHBondContact O-N 2.81Å; N552-G554 VanDerWaalsContact C-N 3.27Å; N552-G554 PolarHBondContact O-N 2.8Å
555K87.1Confident88.7Confident143 Ų14355.5 Ų55.562%0.62231%0.308SS*.PPolyproline II helixtrans-66.2143.5178-65.1180-177.9179.20111.2Q549 N552 G553 V557Q549-K555 WeakPolarHBondContact CG-O 3.28Å; N552-K555 PolarHBondContact O-N 3.3Å; G553-K555 VanDerWaalsContact C-N 3.32Å; G553-K555 PolarHBondContact O-N 2.91Å; K555-V557 PolarHBondContact O-N 3.43Å
556A86.8Confident88.7Confident85 Ų8553.4 Ų53.470%0.70230%0.299SS*.PPolyproline II helixtrans-55.2131.7174.200000110.3
557V92.5Very high89Confident12 Ų1254.3 Ų54.37%0.07330%0.303CS..PPolyproline II helixtrans-72.4136.3177.3-178.50000108.6M548 Q549 K555 E559 L623M548-V557 HydrophobicContact CB-CB 4.49Å; M548-V557 HydrophobicContact CB-CG1 4.12Å; M548-V557 HydrophobicContact CB-CG2 3.52Å; M548-V557 HydrophobicContact CE-CG1 3.6Å; M548-V557 HydrophobicContact SD-CG1 4.24Å; Q549-V557 HydrophobicContact CB-CG2 3.93Å; Q549-V557 VanDerWaalsContact N-CG2 3.28Å; K555-V557 PolarHBondContact O-N 3.43Å; V557-E559 PolarHBondContact O-N 3.37Å; V557-L623 HydrophobicContact CG1-CB 4.29Å; V557-L623 HydrophobicContact CG1-CD2 4.28Å
558D96.5Very high89.4Confident57 Ų5755.1 Ų55.131%0.30532%0.318SS..  trans-62.2107.9171.1-171.2-18.4000108.6R560 V624 G625D558-R560 VanDerWaalsContact OD1-CG 3.28Å; D558-R560 WeakPolarHBondContact OD1-CG 3.36Å; D558-R560 IonicContact OD1-CZ 3.97Å; D558-R560 IonicContact OD1-NE 3.93Å; D558-R560 PolarHBondContact OD1-NE 2.86Å; D558-R560 IonicContact OD1-NH2 3.72Å; D558-R560 IonicContact OD2-CZ 2.73Å; D558-R560 IonicContact OD2-NE 3.24Å; D558-R560 PolarHBondContact OD2-NE 3.46Å; D558-R560 IonicContact OD2-NH2 2.78Å; D558-R560 PolarHBondContact OD2-NH2 3.26Å; D558-V624 HydrophobicContact CB-CG2 3.79Å; D558-V624 WeakPolarHBondContact O-CG2 3.48Å; D558-V624 PolarHBondContact O-N 3.15Å; D558-V624 WeakPolarHBondContact OD1-CG2 3.48Å; D558-G625 PolarHBondContact O-N 3.42Å; D558-G625 VanDerWaalsContact O-N 3.09Å
559E97.8Very high89.3Confident50 Ų5061.2 Ų61.223%0.23435%0.35CS..EExtended strand (participates in β ladder)trans-114128.7178.6175.9178.9-174.300108.3Y541 K545 V557 R621 V622 L623Y541-E559 VanDerWaalsContact OH-CG 3.31Å; Y541-E559 WeakPolarHBondContact OH-CG 3.3Å; Y541-E559 PolarHBondContact OH-OE1 3.25Å; K545-E559 WeakPolarHBondContact CE-OE2 3.08Å; K545-E559 IonicContact NZ-OE2 2.74Å; K545-E559 PolarHBondContact NZ-OE2 2.93Å; V557-E559 PolarHBondContact O-N 3.37Å; E559-R621 WeakPolarHBondContact OE1-CD 3.37Å; E559-R621 IonicContact OE1-CZ 2.91Å; E559-R621 IonicContact OE1-NH1 2.71Å; E559-R621 PolarHBondContact OE1-NH1 3.25Å; E559-V622 WeakPolarHBondContact CA-O 3.45Å; E559-L623 HydrophobicContact CB-CD2 4.12Å; E559-L623 HydrophobicContact CG-CD2 4.21Å
560R97.9Very high89.3Confident73 Ų7360.5 Ų60.528%0.27535%0.345SS..EExtended strand (participates in β ladder)trans-128.9149.2-177.7-58.3-170.9-174.5-1605.5111.4D558 L562 V622 V624D558-R560 VanDerWaalsContact OD1-CG 3.28Å; D558-R560 WeakPolarHBondContact OD1-CG 3.36Å; D558-R560 IonicContact OD1-CZ 3.97Å; D558-R560 IonicContact OD1-NE 3.93Å; D558-R560 PolarHBondContact OD1-NE 2.86Å; D558-R560 IonicContact OD1-NH2 3.72Å; D558-R560 IonicContact OD2-CZ 2.73Å; D558-R560 IonicContact OD2-NE 3.24Å; D558-R560 PolarHBondContact OD2-NE 3.46Å; D558-R560 IonicContact OD2-NH2 2.78Å; D558-R560 PolarHBondContact OD2-NH2 3.26Å; R560-L562 HydrophobicContact CB-CD1 4.3Å; R560-L562 HydrophobicContact CB-CD2 4.13Å; R560-L562 HydrophobicContact CB-CG 3.94Å; R560-V622 PolarHBondContact N-O 3.34Å; R560-V622 PolarHBondContact O-N 3.05Å; R560-V624 HydrophobicContact CB-CG1 4.44Å; R560-V624 HydrophobicContact CG-CG1 4.41Å; R560-V624 HydrophobicContact CG-CG2 3.91Å
561Q98.1Very high89.7Confident81 Ų8155.4 Ų55.438%0.37932%0.324SS..EExtended strand (participates in β ladder)trans-90.7118.3165.4-69.5-176.3-56.500108.7L619 A620 E672Q561-L619 HydrophobicContact CB-CD1 3.96Å; Q561-L619 HydrophobicContact CB-CG 4.28Å; Q561-A620 CarbonylContact C-O 3.46Å; Q561-A620 WeakPolarHBondContact CA-O 3.38Å; Q561-E672 PolarHBondContact NE2-OE2 2.9Å
562L98.4Very high90.2Very high4 Ų452.5 Ų52.52%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-133.2147.4-173.5-58.8173.3000111.2R560 F597 R599 A620 V622 V624 F661R560-L562 HydrophobicContact CB-CD1 4.3Å; R560-L562 HydrophobicContact CB-CD2 4.13Å; R560-L562 HydrophobicContact CB-CG 3.94Å; L562-F597 HydrophobicContact CB-CB 3.68Å; L562-F597 HydrophobicContact CB-CG 4.45Å; L562-F597 HydrophobicContact CD1-CB 3.82Å; L562-F597 HydrophobicContact CG-CB 4.41Å; L562-R599 HydrophobicContact CD2-CB 4.46Å; L562-A620 PolarHBondContact N-O 3.48Å; L562-A620 PolarHBondContact O-N 3.5Å; L562-V622 HydrophobicContact CB-CG2 4.22Å; L562-V622 HydrophobicContact CD1-CB 4.01Å; L562-V622 HydrophobicContact CD1-CG1 4.28Å; L562-V622 HydrophobicContact CD1-CG2 4.08Å; L562-V622 HydrophobicContact CG-CG2 4.43Å; L562-V624 HydrophobicContact CD1-CG1 3.98Å; L562-F661 HydrophobicContact CD1-CB 3.9Å; L562-F661 HydrophobicContact CD1-CD2 3.51Å; L562-F661 HydrophobicContact CD1-CE2 4.21Å; L562-F661 HydrophobicContact CD1-CG 3.76Å; L562-F661 HydrophobicContact CD2-CD2 4.03Å; L562-F661 HydrophobicContact CD2-CE2 4.12Å; L562-F661 HydrophobicContact CG-CD2 4.46Å
563F98.3Very high90.2Very high5 Ų552.2 Ų52.22%0.02232%0.318CS..EExtended strand (participates in β ladder)trans-84.5146-177.6-65.4-80.5000112.4L516 F517 F597 A598 A601 S604 M617 F618 L619 I675L516-F563 HydrophobicContact CB-CZ 3.96Å; F517-F563 HydrophobicContact CB-CE1 4.32Å; F517-F563 HydrophobicContact CB-CZ 4.38Å; F517-F563 HydrophobicContact CD2-CE1 4.49Å; F563-F597 CarbonylContact O-C 3.54Å; F563-F597 WeakPolarHBondContact O-CA 3.23Å; F563-A598 PolarHBondContact N-O 2.74Å; F563-A598 PolarHBondContact O-N 3.08Å; F563-A601 HydrophobicContact CD1-CB 3.93Å; F563-A601 HydrophobicContact CD2-CB 3.85Å; F563-A601 HydrophobicContact CE1-CB 3.87Å; F563-A601 HydrophobicContact CE2-CB 3.8Å; F563-A601 HydrophobicContact CG-CB 3.91Å; F563-A601 HydrophobicContact CZ-CB 3.81Å; F563-S604 VanDerWaalsContact C-OG 3.25Å; F563-S604 VanDerWaalsContact CB-OG 3.31Å; F563-S604 WeakPolarHBondContact CB-OG 3.48Å; F563-S604 PolarHBondContact O-OG 3.1Å; F563-S604 VanDerWaalsContact O-OG 3.14Å; F563-M617 HydrophobicContact CB-SD 4.45Å; F563-M617 HydrophobicContact CD1-SD 3.6Å; F563-M617 HydrophobicContact CE1-SD 4.23Å; F563-M617 HydrophobicContact CG-SD 4.31Å; F563-F618 CarbonylContact C-O 3.46Å; F563-F618 VanDerWaalsContact CA-O 3.27Å; F563-F618 WeakPolarHBondContact CA-O 3.49Å; F563-L619 HydrophobicContact CD1-CB 4.37Å; F563-L619 HydrophobicContact CD1-CD1 3.97Å; F563-L619 HydrophobicContact CD2-CD1 4.33Å; F563-L619 HydrophobicContact CE1-CB 4.26Å; F563-L619 HydrophobicContact CE1-CD1 3.78Å; F563-L619 HydrophobicContact CE1-CG 4.48Å; F563-L619 HydrophobicContact CE2-CD1 4.16Å; F563-L619 HydrophobicContact CG-CD1 4.25Å; F563-L619 HydrophobicContact CZ-CD1 3.87Å; F563-I675 HydrophobicContact CE1-CD1 3.94Å
564H95.8Very high90.6Very high22 Ų2248.9 Ų48.910%0.10228%0.283CS..EExtended strand (participates in β ladder)trans-139.4108.4171.8-176.494000110.5F579 Y596 F597 M617 F618H564-F579 HydrophobicContact CB-CE1 3.99Å; H564-F579 HydrophobicContact CB-CZ 4.47Å; H564-F579 AromaticContact CD2-CD1 3.77Å; H564-F579 AromaticContact CD2-CE1 3.51Å; H564-F579 AromaticContact CG-CE1 3.7Å; H564-F579 AromaticContact NE2-CD1 3.84Å; H564-Y596 PolarHBondContact ND1-O 3.39Å; H564-F597 HydrophobicContact CB-CD1 3.85Å; H564-F597 HydrophobicContact CB-CE1 3.85Å; H564-M617 WeakPolarHBondContact O-CA 3.32Å; H564-F618 HydrophobicContact CB-CB 4.37Å; H564-F618 PolarHBondContact N-O 3.49Å; H564-F618 PolarHBondContact O-N 3.07Å
565G92.1Very high90.9Very high8 Ų846.8 Ų46.88%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-77.1134.7174.600000111.9S604 Y607 S608G565-S604 WeakPolarHBondContact CA-O 3.5Å; G565-Y607 CarbonylContact C-O 3.5Å; G565-S608 VanDerWaalsContact CA-OG 3.31Å; G565-S608 WeakPolarHBondContact CA-OG 3.26Å
566T89.2Confident90.8Very high8 Ų845 Ų455%0.04926%0.255CS..  trans-148.7169.5177.7-167.60000111.1I574 T616 F618T566-I574 HydrophobicContact CG2-CD1 3.94Å; T566-T616 VanDerWaalsContact O-O 3.07Å; T566-F618 HydrophobicContact CG2-CD2 3.96Å; T566-F618 HydrophobicContact CG2-CE2 3.87Å
567S85.6Confident90.4Very high32 Ų3247.1 Ų47.122%0.22425%0.25CS..  trans-81.3147.5172.6-1770000110.8I569 F570S567-I569 PolarHBondContact O-N 3.06Å; S567-F570 PolarHBondContact O-N 2.55Å
568A86.6Confident90.3Very high67 Ų6746.8 Ų46.855%0.55425%0.248SC*.G310 helixtrans-52-31.5178.900000113.2F570 V571A568-F570 PolarHBondContact O-N 3.08Å; A568-V571 WeakPolarHBondContact O-CB 3.23Å; A568-V571 WeakPolarHBondContact O-CG2 3.26Å; A568-V571 PolarHBondContact O-N 2.92Å
569I84.6Confident89.9Confident133 Ų13344.2 Ų44.268%0.68223%0.234SC*.G310 helixtrans-63.7-20.7179.367.8176.5000114S567S567-I569 PolarHBondContact O-N 3.06Å
570F85.4Confident88.9Confident58 Ų5843.9 Ų43.925%0.25423%0.234SC..G310 helixtrans-99.2-5.7-178.7-62.3-57.3000113.4S567 A568 A573 I574 V583S567-F570 PolarHBondContact O-N 2.55Å; A568-F570 PolarHBondContact O-N 3.08Å; F570-A573 PolarHBondContact O-N 3.33Å; F570-I574 HydrophobicContact CB-CD1 4.11Å; F570-I574 VanDerWaalsContact O-CG1 3.31Å; F570-I574 WeakPolarHBondContact O-CG1 3.46Å; F570-I574 PolarHBondContact O-N 2.83Å; F570-V583 HydrophobicContact CE1-CG1 4.4Å
571V89.6Confident87.7Confident11 Ų1144 Ų447%0.06724%0.235CC..Hα-helixtrans-58.5-55.8-173.1168.50000111.5A568 A573 I574 C575 T616 F618 L674A568-V571 WeakPolarHBondContact O-CB 3.23Å; A568-V571 WeakPolarHBondContact O-CG2 3.26Å; A568-V571 PolarHBondContact O-N 2.92Å; V571-A573 VanDerWaalsContact C-N 3.28Å; V571-A573 PolarHBondContact O-N 3.43Å; V571-I574 PolarHBondContact O-N 2.81Å; V571-I574 VanDerWaalsContact O-N 3.16Å; V571-C575 PolarHBondContact O-N 2.99Å; V571-C575 PolarHBondContact O-SG 3.32Å; V571-C575 VanDerWaalsContact O-SG 3.33Å; V571-T616 HydrophobicContact CG2-CG2 3.87Å; V571-F618 HydrophobicContact CG1-CZ 4.3Å; V571-F618 HydrophobicContact CG2-CE2 4.47Å; V571-L674 HydrophobicContact CG1-CD1 3.97Å; V571-L674 HydrophobicContact CG1-CD2 3.42Å; V571-L674 VanDerWaalsContact CG1-CD2 3.42Å; V571-L674 HydrophobicContact CG1-CG 4.35Å; V571-L674 HydrophobicContact CG2-CD1 4.09Å
572D86.8Confident86.4Confident88 Ų8848.8 Ų48.847%0.47125%0.249SC..Hα-helixtrans-67.9-32.5-176.2-68.3-20.6000111.9F498 K500 C575 Q576F498-D572 HydrophobicContact CZ-CB 4.01Å; K500-D572 IonicContact NZ-OD1 2.59Å; K500-D572 PolarHBondContact NZ-OD1 2.72Å; D572-C575 PolarHBondContact O-N 2.94Å; D572-Q576 VanDerWaalsContact O-CB 3.32Å; D572-Q576 WeakPolarHBondContact O-CB 3.45Å; D572-Q576 PolarHBondContact O-N 3.21Å
573A84.2Confident84.5Confident43 Ų4352.9 Ų52.936%0.35527%0.274SS..Hα-helixtrans-62.9-43.9173.300000111.6F570 V571 Q576 Q577F570-A573 PolarHBondContact O-N 3.33Å; V571-A573 VanDerWaalsContact C-N 3.28Å; V571-A573 PolarHBondContact O-N 3.43Å; A573-Q576 PolarHBondContact O-N 2.66Å; A573-Q577 WeakPolarHBondContact O-CB 3.05Å; A573-Q577 PolarHBondContact O-N 3.49Å
574I89.1Confident82.2Confident2 Ų253.8 Ų53.81%0.0128%0.281CS..Hα-helixtrans-67.1-44.6177.2-69.7164.2000110.7T566 F570 V571 Q576 N578 F579 F618 P671T566-I574 HydrophobicContact CG2-CD1 3.94Å; F570-I574 HydrophobicContact CB-CD1 4.11Å; F570-I574 VanDerWaalsContact O-CG1 3.31Å; F570-I574 WeakPolarHBondContact O-CG1 3.46Å; F570-I574 PolarHBondContact O-N 2.83Å; V571-I574 PolarHBondContact O-N 2.81Å; V571-I574 VanDerWaalsContact O-N 3.16Å; I574-Q576 VanDerWaalsContact C-N 3.26Å; I574-Q576 PolarHBondContact O-N 2.83Å; I574-N578 WeakPolarHBondContact O-CA 3.21Å; I574-N578 PolarHBondContact O-N 2.8Å; I574-F579 HydrophobicContact CD1-CD1 4.09Å; I574-F579 HydrophobicContact CD1-CE1 4.18Å; I574-F579 HydrophobicContact CG1-CD1 4.26Å; I574-F579 HydrophobicContact CG2-CD1 3.78Å; I574-F579 HydrophobicContact CG2-CD2 4.36Å; I574-F579 HydrophobicContact CG2-CE1 3.57Å; I574-F579 HydrophobicContact CG2-CE2 4.17Å; I574-F579 HydrophobicContact CG2-CG 4.18Å; I574-F579 HydrophobicContact CG2-CZ 3.77Å; I574-F618 HydrophobicContact CB-CE2 3.96Å; I574-F618 HydrophobicContact CB-CZ 3.85Å; I574-F618 HydrophobicContact CD1-CD2 4.31Å; I574-F618 HydrophobicContact CD1-CE2 3.75Å; I574-F618 HydrophobicContact CG1-CE2 4.48Å; I574-F618 HydrophobicContact CG2-CD2 4.27Å; I574-F618 HydrophobicContact CG2-CE1 4.01Å; I574-F618 HydrophobicContact CG2-CE2 3.73Å; I574-F618 HydrophobicContact CG2-CZ 3.57Å; I574-P671 HydrophobicContact CG2-CB 3.93Å; I574-P671 HydrophobicContact CG2-CG 4.37Å
575C87.7Confident79.9Confident0 Ų054.6 Ų54.60%030%0.295CS..Hα-helixtrans-61.4-34.6177.9-67.70000112.5F498 V532 N534 V571 D572F498-C575 HydrophobicContact CD1-CB 4.06Å; F498-C575 HydrophobicContact CD2-CB 3.39Å; F498-C575 HydrophobicContact CE1-CB 4Å; F498-C575 HydrophobicContact CE2-CB 3.29Å; F498-C575 HydrophobicContact CG-CB 3.78Å; F498-C575 HydrophobicContact CZ-CB 3.62Å; V532-C575 HydrophobicContact CG1-CB 4.07Å; N534-C575 PolarHBondContact ND2-O 3.28Å; V571-C575 PolarHBondContact O-N 2.99Å; V571-C575 PolarHBondContact O-SG 3.32Å; V571-C575 VanDerWaalsContact O-SG 3.33Å; D572-C575 PolarHBondContact O-N 2.94Å
576Q83.2Confident77.7Confident105 Ų10557.8 Ų57.849%0.49131%0.312SS..Hα-helixtrans-84.2-42.1179.7-169.1176.932.200113.3F498 N534 D572 A573 I574F498-Q576 HydrophobicContact CD1-CB 3.72Å; F498-Q576 HydrophobicContact CD1-CG 4.27Å; F498-Q576 HydrophobicContact CE1-CB 3.78Å; N534-Q576 PolarHBondContact ND2-O 2.93Å; D572-Q576 VanDerWaalsContact O-CB 3.32Å; D572-Q576 WeakPolarHBondContact O-CB 3.45Å; D572-Q576 PolarHBondContact O-N 3.21Å; A573-Q576 PolarHBondContact O-N 2.66Å; I574-Q576 VanDerWaalsContact C-N 3.26Å; I574-Q576 PolarHBondContact O-N 2.83Å
577Q80.2Confident75.9Confident130 Ų13061.7 Ų61.761%0.60733%0.33SS*.Hα-helixtrans-119.7-1-164-55.5-178.117.400114.2A573A573-Q577 WeakPolarHBondContact O-CB 3.05Å; A573-Q577 PolarHBondContact O-N 3.49Å
578N89.3Confident74.4Confident5 Ų562.2 Ų62.23%0.02734%0.341CS..  trans71.7177-173.7-145.6-23.4000113.4L537 I574 D580 K666 V669L537-N578 HydrophobicContact CD1-CB 3.96Å; L537-N578 HydrophobicContact CD2-CB 3.87Å; I574-N578 WeakPolarHBondContact O-CA 3.21Å; I574-N578 PolarHBondContact O-N 2.8Å; N578-D580 PolarHBondContact O-N 2.83Å; N578-K666 PolarHBondContact ND2-O 2.98Å; N578-K666 VanDerWaalsContact ND2-O 3.16Å; N578-V669 PolarHBondContact ND2-O 3.41Å
579F87.5Confident73.4Confident4 Ų461.2 Ų61.22%0.01833%0.328CS..  trans-69.2124.1-179.6-57.5-86.8000111.5H564 I574 F597 F618 A620 V669 P671H564-F579 HydrophobicContact CB-CE1 3.99Å; H564-F579 HydrophobicContact CB-CZ 4.47Å; H564-F579 AromaticContact CD2-CD1 3.77Å; H564-F579 AromaticContact CD2-CE1 3.51Å; H564-F579 AromaticContact CG-CE1 3.7Å; H564-F579 AromaticContact NE2-CD1 3.84Å; I574-F579 HydrophobicContact CD1-CD1 4.09Å; I574-F579 HydrophobicContact CD1-CE1 4.18Å; I574-F579 HydrophobicContact CG1-CD1 4.26Å; I574-F579 HydrophobicContact CG2-CD1 3.78Å; I574-F579 HydrophobicContact CG2-CD2 4.36Å; I574-F579 HydrophobicContact CG2-CE1 3.57Å; I574-F579 HydrophobicContact CG2-CE2 4.17Å; I574-F579 HydrophobicContact CG2-CG 4.18Å; I574-F579 HydrophobicContact CG2-CZ 3.77Å; F579-F597 HydrophobicContact CB-CZ 4.43Å; F579-F597 HydrophobicContact CD1-CE1 4.42Å; F579-F597 HydrophobicContact CD1-CZ 4.32Å; F579-F597 HydrophobicContact CD2-CE1 4.12Å; F579-F597 AromaticContact CD2-CZ 3.79Å; F579-F597 HydrophobicContact CD2-CZ 3.79Å; F579-F597 HydrophobicContact CE1-CE1 4.25Å; F579-F597 AromaticContact CE2-CE1 3.94Å; F579-F597 HydrophobicContact CE2-CE1 3.94Å; F579-F597 HydrophobicContact CE2-CZ 4.1Å; F579-F597 HydrophobicContact CG-CE1 4.37Å; F579-F597 AromaticContact CG-CZ 3.93Å; F579-F597 HydrophobicContact CG-CZ 3.93Å; F579-F597 HydrophobicContact CZ-CE1 4.02Å; F579-F597 HydrophobicContact CZ-CZ 4.49Å; F579-F618 HydrophobicContact CE1-CB 4.23Å; F579-F618 HydrophobicContact CE1-CD2 4.03Å; F579-F618 HydrophobicContact CE1-CG 4.13Å; F579-F618 HydrophobicContact CZ-CB 3.91Å; F579-F618 HydrophobicContact CZ-CD1 4.35Å; F579-F618 HydrophobicContact CZ-CD2 4.29Å; F579-F618 AromaticContact CZ-CG 3.94Å; F579-F618 HydrophobicContact CZ-CG 3.94Å; F579-A620 HydrophobicContact CE2-CB 3.9Å; F579-A620 HydrophobicContact CZ-CB 4.01Å; F579-V669 HydrophobicContact CD2-CB 4.12Å; F579-V669 HydrophobicContact CD2-CG1 3.38Å; F579-V669 HydrophobicContact CE2-CG1 3.39Å; F579-P671 HydrophobicContact CE2-CB 3.67Å; F579-P671 HydrophobicContact CE2-CG 4.45Å; F579-P671 HydrophobicContact CZ-CB 3.81Å
580D77.8Confident73.1Confident42 Ų4258.3 Ų58.323%0.22532%0.319CS..  trans-123.2105.5172.7-168.4-20.2000110.6N578 R582 V583 C584N578-D580 PolarHBondContact O-N 2.83Å; D580-R582 PolarHBondContact O-N 2.78Å; D580-R582 VanDerWaalsContact O-N 3.1Å; D580-R582 WeakPolarHBondContact OD1-CB 3.5Å; D580-R582 WeakPolarHBondContact OD1-CG 3.16Å; D580-R582 IonicContact OD1-CZ 2.89Å; D580-R582 PolarHBondContact OD1-N 2.81Å; D580-R582 IonicContact OD1-NE 3.63Å; D580-R582 PolarHBondContact OD1-NE 2.78Å; D580-R582 IonicContact OD1-NH2 2.94Å; D580-R582 IonicContact OD2-CZ 2.73Å; D580-R582 IonicContact OD2-NE 3.95Å; D580-R582 PolarHBondContact OD2-NE 2.63Å; D580-R582 IonicContact OD2-NH2 2.69Å; D580-R582 PolarHBondContact OD2-NH2 3.11Å; D580-V583 HydrophobicContact CB-CB 4.27Å; D580-V583 HydrophobicContact CB-CG2 4.06Å; D580-V583 PolarHBondContact O-N 2.96Å; D580-C584 PolarHBondContact O-N 3.2Å
581W73.4Confident73.2Confident77 Ų7758.4 Ų58.429%0.29232%0.318SS..THydrogen-bonded Turntrans-61.2-19.1179.167.2-95000113.6V583 V586 K593 G594W581-V583 VanDerWaalsContact C-N 3.29Å; W581-V586 HydrophobicContact CE3-CG1 3.8Å; W581-V586 HydrophobicContact CZ3-CG1 4.22Å; W581-K593 HydrophobicContact CH2-CB 3.96Å; W581-K593 HydrophobicContact CZ2-CB 4.3Å; W581-K593 HydrophobicContact CZ3-CB 4.15Å; W581-G594 WeakPolarHBondContact CB-O 3.47Å
582R69.6Low73.1Confident181 Ų18157.9 Ų57.968%0.68332%0.315SS*.THydrogen-bonded Turntrans-75.8-21.2175.4-55.4170-65.91803.6112.1D580D580-R582 PolarHBondContact O-N 2.78Å; D580-R582 VanDerWaalsContact O-N 3.1Å; D580-R582 WeakPolarHBondContact OD1-CB 3.5Å; D580-R582 WeakPolarHBondContact OD1-CG 3.16Å; D580-R582 IonicContact OD1-CZ 2.89Å; D580-R582 PolarHBondContact OD1-N 2.81Å; D580-R582 IonicContact OD1-NE 3.63Å; D580-R582 PolarHBondContact OD1-NE 2.78Å; D580-R582 IonicContact OD1-NH2 2.94Å; D580-R582 IonicContact OD2-CZ 2.73Å; D580-R582 IonicContact OD2-NE 3.95Å; D580-R582 PolarHBondContact OD2-NE 2.63Å; D580-R582 IonicContact OD2-NH2 2.69Å; D580-R582 PolarHBondContact OD2-NH2 3.11Å
583V59.3Low73.2Confident90 Ų9057.8 Ų57.855%0.54531%0.31SS..THydrogen-bonded Turntrans-102.3-44.3-179.3-179.10000110.7F570 D580 W581 G585F570-V583 HydrophobicContact CE1-CG1 4.4Å; D580-V583 HydrophobicContact CB-CB 4.27Å; D580-V583 HydrophobicContact CB-CG2 4.06Å; D580-V583 PolarHBondContact O-N 2.96Å; W581-V583 VanDerWaalsContact C-N 3.29Å; V583-G585 PolarHBondContact O-N 2.9Å; V583-G585 VanDerWaalsContact O-N 3.15Å
584C49.1Very low73.4Confident24 Ų2455.8 Ų55.816%0.16229%0.294CS..SBendtrans-774-176.6-600000114.3D580D580-C584 PolarHBondContact O-N 3.2Å
585G47.5Very low73.5Confident38 Ų3856.2 Ų56.239%0.39230%0.297SS..  trans76.5142.6-178.700000112.8V583 H587V583-G585 PolarHBondContact O-N 2.9Å; V583-G585 VanDerWaalsContact O-N 3.15Å; G585-H587 PolarHBondContact O-N 3.46Å
586V47.1Very low73.8Confident75 Ų7558.2 Ų58.246%0.45531%0.305SS..  trans-88.288.8174-1070000109.1W581 T589W581-V586 HydrophobicContact CE3-CG1 3.8Å; W581-V586 HydrophobicContact CZ3-CG1 4.22Å; V586-T589 HydrophobicContact CB-CG2 3.44Å; V586-T589 VanDerWaalsContact CB-CG2 3.44Å; V586-T589 HydrophobicContact CG1-CG2 3.14Å; V586-T589 HydrophobicContact CG2-CG2 4.5Å
587H49.8Very low74.5Confident91 Ų9153.3 Ų53.342%0.42128%0.282SS..  trans-89.4117.6169.6-61.2-45.7000109.1G585 Y607G585-H587 PolarHBondContact O-N 3.46Å; H587-Y607 HydrophobicContact CB-CD1 4.04Å; H587-Y607 HydrophobicContact CB-CE1 3.66Å
588G54.4Low75.2Confident43 Ų4347.2 Ų47.244%0.44325%0.254SS..  trans63.261.217400000114.6S590 Y596G588-S590 PolarHBondContact O-N 2.85Å; G588-Y596 WeakPolarHBondContact O-CE1 3.45Å; G588-Y596 PolarHBondContact O-OH 3.43Å
589T65.4Low75.6Confident46 Ų4650.9 Ų50.928%0.28227%0.268SS..G310 helixtrans-69.332.6176.558.10000114V586 Y591 G592 Y596 A632V586-T589 HydrophobicContact CB-CG2 3.44Å; V586-T589 VanDerWaalsContact CB-CG2 3.44Å; V586-T589 HydrophobicContact CG1-CG2 3.14Å; V586-T589 HydrophobicContact CG2-CG2 4.5Å; T589-Y591 PolarHBondContact O-N 2.71Å; T589-G592 PolarHBondContact O-N 2.66Å; T589-Y596 VanDerWaalsContact C-OH 3.25Å; T589-Y596 VanDerWaalsContact CA-OH 3.26Å; T589-Y596 WeakPolarHBondContact CA-OH 3.41Å; T589-A632 WeakPolarHBondContact O-CA 3.42Å; T589-A632 WeakPolarHBondContact O-CB 3.25Å
590S78.8Confident76Confident72 Ų7252.6 Ų52.650%0.50328%0.277SS..G310 helixtrans-63-25.7-173.6-58.60000112.5G588 Y596 N631 A632G588-S590 PolarHBondContact O-N 2.85Å; S590-Y596 PolarHBondContact N-OH 2.78Å; S590-N631 CarbonylContact O-C 3.6Å; S590-A632 PolarHBondContact O-N 2.92Å; S590-A632 VanDerWaalsContact O-N 3.12Å
591Y87.6Confident76.9Confident60 Ų6050.6 Ų50.624%0.23527%0.266CS..G310 helixtrans-120.611-173.1-54.3-64.8000113.6T589 Y596 G630 N631 N653 I660T589-Y591 PolarHBondContact O-N 2.71Å; Y591-Y596 HydrophobicContact CD2-CE1 4.31Å; Y591-Y596 PolarHBondContact N-OH 3.36Å; Y591-Y596 VanDerWaalsContact N-OH 3.1Å; Y591-G630 WeakPolarHBondContact O-CA 3.47Å; Y591-N631 CarbonylContact C-O 3.58Å; Y591-N631 PolarHBondContact O-N 3.49Å; Y591-N653 HydrophobicContact CD1-CB 4.44Å; Y591-N653 HydrophobicContact CD2-CB 4.01Å; Y591-N653 HydrophobicContact CE1-CB 3.98Å; Y591-N653 HydrophobicContact CE2-CB 3.5Å; Y591-N653 HydrophobicContact CG-CB 4.45Å; Y591-N653 VanDerWaalsContact CZ-CB 3.48Å; Y591-I660 HydrophobicContact CE2-CD1 4.4Å
592G88.1Confident77.9Confident0 Ų048.6 Ų48.60%027%0.266CS..  trans135.3166.3176.200000113.8T589 G594 Y596 N631T589-G592 PolarHBondContact O-N 2.66Å; G592-G594 PolarHBondContact O-N 3.38Å; G592-Y596 PolarHBondContact N-OH 2.93Å; G592-Y596 VanDerWaalsContact N-OH 3.12Å; G592-Y596 WeakPolarHBondContact O-CE2 3.28Å; G592-Y596 PolarHBondContact O-OH 2.59Å; G592-N631 VanDerWaalsContact CA-O 3.27Å; G592-N631 WeakPolarHBondContact CA-O 3.44Å; G592-N631 PolarHBondContact N-O 3.13Å; G592-N631 VanDerWaalsContact N-O 3.15Å
593K88Confident78.9Confident85 Ų8544.8 Ų44.837%0.3725%0.252SS..SBendtrans-93.776.7175.8-61.4176.5-173.4169.40110W581 F634 V635 F664W581-K593 HydrophobicContact CH2-CB 3.96Å; W581-K593 HydrophobicContact CZ2-CB 4.3Å; W581-K593 HydrophobicContact CZ3-CB 4.15Å; K593-F634 PolarHBondContact N-O 2.84Å; K593-V635 HydrophobicContact CD-CG1 3.99Å; K593-F664 WeakPolarHBondContact O-CD1 3.14Å
594G89.3Confident80.6Confident2 Ų240.7 Ų40.72%0.02123%0.228CC..SBendtrans-147.7-175.2179.400000111.6W581 G592 Y596 I663W581-G594 WeakPolarHBondContact CB-O 3.47Å; G592-G594 PolarHBondContact O-N 3.38Å; G594-Y596 VanDerWaalsContact O-CD2 3.23Å; G594-Y596 WeakPolarHBondContact O-CD2 3.36Å; G594-Y596 WeakPolarHBondContact O-CE2 3.42Å; G594-I663 CarbonylContact C-O 3.57Å; G594-I663 VanDerWaalsContact CA-O 3.3Å; G594-I663 WeakPolarHBondContact CA-O 3.47Å
595S91.6Very high82.7Confident10 Ų1041.1 Ų41.17%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-79.8130.4174.2-62.90000109.8V662 I663S595-V662 WeakPolarHBondContact O-CA 3.37Å; S595-I663 PolarHBondContact N-O 3.23Å; S595-I663 PolarHBondContact O-N 2.87Å
596Y93.4Very high84.6Confident42 Ų4246.1 Ų46.117%0.16524%0.24CC..EExtended strand (participates in β ladder)trans-97.7135.8-175.7-78.4-112.7000111.2H564 G588 T589 S590 Y591 G592 G594 I660 F661 V662H564-Y596 PolarHBondContact ND1-O 3.39Å; G588-Y596 WeakPolarHBondContact O-CE1 3.45Å; G588-Y596 PolarHBondContact O-OH 3.43Å; T589-Y596 VanDerWaalsContact C-OH 3.25Å; T589-Y596 VanDerWaalsContact CA-OH 3.26Å; T589-Y596 WeakPolarHBondContact CA-OH 3.41Å; S590-Y596 PolarHBondContact N-OH 2.78Å; Y591-Y596 HydrophobicContact CD2-CE1 4.31Å; Y591-Y596 PolarHBondContact N-OH 3.36Å; Y591-Y596 VanDerWaalsContact N-OH 3.1Å; G592-Y596 PolarHBondContact N-OH 2.93Å; G592-Y596 VanDerWaalsContact N-OH 3.12Å; G592-Y596 WeakPolarHBondContact O-CE2 3.28Å; G592-Y596 PolarHBondContact O-OH 2.59Å; G594-Y596 VanDerWaalsContact O-CD2 3.23Å; G594-Y596 WeakPolarHBondContact O-CD2 3.36Å; G594-Y596 WeakPolarHBondContact O-CE2 3.42Å; Y596-I660 HydrophobicContact CD1-CG2 3.64Å; Y596-I660 HydrophobicContact CE1-CG2 4.17Å; Y596-F661 CarbonylContact C-O 3.45Å; Y596-F661 WeakPolarHBondContact CA-O 3.31Å; Y596-V662 HydrophobicContact CD1-CG2 3.79Å; Y596-V662 HydrophobicContact CD2-CG1 4.33Å; Y596-V662 HydrophobicContact CD2-CG2 4.31Å; Y596-V662 HydrophobicContact CE1-CG2 3.4Å; Y596-V662 VanDerWaalsContact CE1-CG2 3.4Å; Y596-V662 HydrophobicContact CE2-CG1 3.9Å; Y596-V662 HydrophobicContact CE2-CG2 3.95Å; Y596-V662 HydrophobicContact CG-CG2 4.21Å; Y596-V662 VanDerWaalsContact CZ-CG2 3.46Å
597F96.4Very high86.5Confident3 Ų346 Ų461%0.01323%0.232CC..EExtended strand (participates in β ladder)trans-131.7141177.2-62.4-89.2000110.1L562 F563 H564 F579 A620 V622 I660 F661 I663 V669L562-F597 HydrophobicContact CB-CB 3.68Å; L562-F597 HydrophobicContact CB-CG 4.45Å; L562-F597 HydrophobicContact CD1-CB 3.82Å; L562-F597 HydrophobicContact CG-CB 4.41Å; F563-F597 CarbonylContact O-C 3.54Å; F563-F597 WeakPolarHBondContact O-CA 3.23Å; H564-F597 HydrophobicContact CB-CD1 3.85Å; H564-F597 HydrophobicContact CB-CE1 3.85Å; F579-F597 HydrophobicContact CB-CZ 4.43Å; F579-F597 HydrophobicContact CD1-CE1 4.42Å; F579-F597 HydrophobicContact CD1-CZ 4.32Å; F579-F597 HydrophobicContact CD2-CE1 4.12Å; F579-F597 AromaticContact CD2-CZ 3.79Å; F579-F597 HydrophobicContact CD2-CZ 3.79Å; F579-F597 HydrophobicContact CE1-CE1 4.25Å; F579-F597 AromaticContact CE2-CE1 3.94Å; F579-F597 HydrophobicContact CE2-CE1 3.94Å; F579-F597 HydrophobicContact CE2-CZ 4.1Å; F579-F597 HydrophobicContact CG-CE1 4.37Å; F579-F597 AromaticContact CG-CZ 3.93Å; F579-F597 HydrophobicContact CG-CZ 3.93Å; F579-F597 HydrophobicContact CZ-CE1 4.02Å; F579-F597 HydrophobicContact CZ-CZ 4.49Å; F597-A620 HydrophobicContact CD1-CB 4.17Å; F597-A620 HydrophobicContact CE1-CB 3.8Å; F597-V622 HydrophobicContact CD1-CG2 3.93Å; F597-V622 HydrophobicContact CD2-CG2 4.31Å; F597-V622 HydrophobicContact CE1-CG2 4.25Å; F597-V622 HydrophobicContact CG-CG2 4Å; F597-I660 WeakPolarHBondContact O-CA 3.45Å; F597-F661 PolarHBondContact N-O 2.83Å; F597-F661 PolarHBondContact O-N 2.99Å; F597-I663 HydrophobicContact CD2-CB 4.5Å; F597-I663 HydrophobicContact CD2-CG1 3.84Å; F597-I663 HydrophobicContact CE2-CB 4.21Å; F597-I663 HydrophobicContact CE2-CG1 3.96Å; F597-V669 HydrophobicContact CE1-CG1 3.89Å; F597-V669 HydrophobicContact CE2-CG1 4.4Å; F597-V669 HydrophobicContact CE2-CG2 3.8Å; F597-V669 HydrophobicContact CZ-CB 4.29Å; F597-V669 HydrophobicContact CZ-CG1 3.6Å; F597-V669 HydrophobicContact CZ-CG2 3.8Å
598A96.9Very high88.3Confident2 Ų241.8 Ų41.82%0.01721%0.213CC..EExtended strand (participates in β ladder)trans-112.6141.6-177.400000111.6F563 D600 Y603 S659F563-A598 PolarHBondContact N-O 2.74Å; F563-A598 PolarHBondContact O-N 3.08Å; A598-D600 VanDerWaalsContact C-N 3.27Å; A598-Y603 HydrophobicContact CB-CD1 3.79Å; A598-Y603 HydrophobicContact CB-CG 4.23Å; A598-S659 WeakPolarHBondContact CA-O 3.35Å
599R97.4Very high89.5Confident82 Ų8245.8 Ų45.831%0.30922%0.218SC..SBendtrans-62.6-39.2169.5-177.2-169.268.6-160.2-5.3111.5L562 D657 S659L562-R599 HydrophobicContact CD2-CB 4.46Å; R599-D657 IonicContact CZ-OD1 3.9Å; R599-D657 IonicContact NH1-OD1 3.48Å; R599-D657 PolarHBondContact NH1-OD1 2.85Å; R599-D657 IonicContact NH1-OD2 2.65Å; R599-S659 PolarHBondContact N-O 3.11Å
600D95.6Very high90.1Very high39 Ų3945.6 Ų45.621%0.20922%0.219CC..SBendtrans-106127.4-171-58.9-31.4000110.3T520 A598 A602 Y603T520-D600 HydrophobicContact CG2-CB 3.98Å; A598-D600 VanDerWaalsContact C-N 3.27Å; D600-A602 PolarHBondContact O-N 2.8Å; D600-Y603 PolarHBondContact O-N 2.99Å; D600-Y603 VanDerWaalsContact O-N 3.13Å
601A95.8Very high89.5Confident0 Ų050.8 Ų50.80%024%0.241CC..Hα-helixtrans-60.1-35.2-179.800000111.8F517 T520 L521 F563 Y603 S604 H605 M617F517-A601 HydrophobicContact CD2-CB 4.05Å; T520-A601 WeakPolarHBondContact OG1-CB 3.45Å; T520-A601 PolarHBondContact OG1-N 2.94Å; L521-A601 HydrophobicContact CD1-CB 3.74Å; L521-A601 HydrophobicContact CG-CB 4.19Å; F563-A601 HydrophobicContact CD1-CB 3.93Å; F563-A601 HydrophobicContact CD2-CB 3.85Å; F563-A601 HydrophobicContact CE1-CB 3.87Å; F563-A601 HydrophobicContact CE2-CB 3.8Å; F563-A601 HydrophobicContact CG-CB 3.91Å; F563-A601 HydrophobicContact CZ-CB 3.81Å; A601-Y603 PolarHBondContact O-N 3.38Å; A601-S604 CarbonylContact O-C 3.55Å; A601-S604 WeakPolarHBondContact O-CA 3.2Å; A601-S604 WeakPolarHBondContact O-CB 3.02Å; A601-S604 PolarHBondContact O-N 3.12Å; A601-H605 PolarHBondContact O-N 2.66Å; A601-M617 HydrophobicContact CB-CE 4.41Å; A601-M617 HydrophobicContact CB-SD 4.02Å
602A93.9Very high89Confident36 Ų3652.2 Ų52.230%0.29826%0.256SS..Hα-helixtrans-54.9-38.3175.800000113.4T520 L521 D600 H605T520-A602 PolarHBondContact OG1-N 2.82Å; T520-A602 VanDerWaalsContact OG1-N 3.14Å; L521-A602 HydrophobicContact CD2-CB 4.03Å; L521-A602 HydrophobicContact CG-CB 4.28Å; D600-A602 PolarHBondContact O-N 2.8Å; A602-H605 WeakPolarHBondContact O-CB 3.4Å; A602-H605 PolarHBondContact O-N 2.99Å
603Y92.4Very high88.8Confident100 Ų10057.8 Ų57.839%0.39228%0.282SS..Hα-helixtrans-67.9-41.2176.7-169.1-88.9000111.3A598 D600 A601 H605 Y607 I660A598-Y603 HydrophobicContact CB-CD1 3.79Å; A598-Y603 HydrophobicContact CB-CG 4.23Å; D600-Y603 PolarHBondContact O-N 2.99Å; D600-Y603 VanDerWaalsContact O-N 3.13Å; A601-Y603 PolarHBondContact O-N 3.38Å; Y603-H605 VanDerWaalsContact C-N 3.28Å; Y603-H605 PolarHBondContact O-N 3.17Å; Y603-Y607 HydrophobicContact CD1-CE2 4Å; Y603-Y607 AromaticContact CE1-CE2 3.59Å; Y603-Y607 HydrophobicContact CE1-CE2 3.59Å; Y603-Y607 WeakPolarHBondContact O-CD2 3.48Å; Y603-I660 HydrophobicContact CE1-CD1 3.9Å; Y603-I660 HydrophobicContact CE1-CG1 4.16Å; Y603-I660 HydrophobicContact CE2-CD1 4.02Å; Y603-I660 WeakPolarHBondContact OH-CD1 3.32Å
604S93.9Very high88.8Confident4 Ų455.7 Ų55.73%0.02828%0.276CS..Hα-helixtrans-67.8-24.7176.9-76.10000113.5F563 G565 A601 H606 Y607 S608F563-S604 VanDerWaalsContact C-OG 3.25Å; F563-S604 VanDerWaalsContact CB-OG 3.31Å; F563-S604 WeakPolarHBondContact CB-OG 3.48Å; F563-S604 PolarHBondContact O-OG 3.1Å; F563-S604 VanDerWaalsContact O-OG 3.14Å; G565-S604 WeakPolarHBondContact CA-O 3.5Å; A601-S604 CarbonylContact O-C 3.55Å; A601-S604 WeakPolarHBondContact O-CA 3.2Å; A601-S604 WeakPolarHBondContact O-CB 3.02Å; A601-S604 PolarHBondContact O-N 3.12Å; S604-H606 VanDerWaalsContact C-N 3.28Å; S604-H606 PolarHBondContact O-N 2.91Å; S604-Y607 PolarHBondContact O-N 3.2Å; S604-S608 PolarHBondContact O-N 2.75Å; S604-S608 PolarHBondContact O-OG 3.47Å
605H92.8Very high89Confident33 Ų3356.7 Ų56.715%0.15328%0.28CS..Hα-helixtrans-57-40.3177.2178.461.7000112.4L521 Y524 A601 A602 Y603 Y607 S608 H615 M617 Y677L521-H605 HydrophobicContact CD1-CB 4.19Å; L521-H605 HydrophobicContact CD2-CB 4.32Å; Y524-H605 AromaticContact CE1-CE1 3.62Å; Y524-H605 AromaticContact CE1-NE2 3.96Å; Y524-H605 AromaticContact CZ-CE1 3.97Å; Y524-H605 AromaticContact CZ-NE2 3.87Å; Y524-H605 PolarHBondContact OH-NE2 3.09Å; A601-H605 PolarHBondContact O-N 2.66Å; A602-H605 WeakPolarHBondContact O-CB 3.4Å; A602-H605 PolarHBondContact O-N 2.99Å; Y603-H605 VanDerWaalsContact C-N 3.28Å; Y603-H605 PolarHBondContact O-N 3.17Å; H605-Y607 PolarHBondContact O-N 3.4Å; H605-S608 WeakPolarHBondContact O-CB 3.38Å; H605-S608 PolarHBondContact O-N 3.21Å; H605-H615 AromaticContact CE1-CE1 3.9Å; H605-H615 AromaticContact CE1-ND1 3.96Å; H605-H615 AromaticContact CE1-NE2 3.94Å; H605-M617 HydrophobicContact CB-CE 4.43Å; H605-Y677 AromaticContact ND1-CE2 3.55Å; H605-Y677 AromaticContact ND1-CZ 3.67Å; H605-Y677 PolarHBondContact ND1-OH 3.07Å
606H87.6Confident89.1Confident143 Ų14356.9 Ų56.966%0.66228%0.281SS*.THydrogen-bonded Turntrans-58.4-23177.4-66.8-60.7000114.3S604S604-H606 VanDerWaalsContact C-N 3.28Å; S604-H606 PolarHBondContact O-N 2.91Å
607Y86.8Confident89.3Confident74 Ų7454.9 Ų54.929%0.2927%0.273SS..THydrogen-bonded Turntrans-100.3-8.5178.9-57.6-83.3000112.7G565 H587 Y603 S604 H605 K609G565-Y607 CarbonylContact C-O 3.5Å; H587-Y607 HydrophobicContact CB-CD1 4.04Å; H587-Y607 HydrophobicContact CB-CE1 3.66Å; Y603-Y607 HydrophobicContact CD1-CE2 4Å; Y603-Y607 AromaticContact CE1-CE2 3.59Å; Y603-Y607 HydrophobicContact CE1-CE2 3.59Å; Y603-Y607 WeakPolarHBondContact O-CD2 3.48Å; S604-Y607 PolarHBondContact O-N 3.2Å; H605-Y607 PolarHBondContact O-N 3.4Å; Y607-K609 PolarHBondContact O-N 2.83Å
608S87.4Confident89.3Confident1 Ų154.7 Ų54.71%0.00727%0.272CS..  trans-81.359.2177.3-52.30000110.6G565 S604 H605 S610 H615 T616 Y677G565-S608 VanDerWaalsContact CA-OG 3.31Å; G565-S608 WeakPolarHBondContact CA-OG 3.26Å; S604-S608 PolarHBondContact O-N 2.75Å; S604-S608 PolarHBondContact O-OG 3.47Å; H605-S608 WeakPolarHBondContact O-CB 3.38Å; H605-S608 PolarHBondContact O-N 3.21Å; S608-S610 PolarHBondContact O-N 2.94Å; S608-H615 PolarHBondContact O-ND1 2.83Å; S608-T616 WeakPolarHBondContact CB-O 3.49Å; S608-T616 PolarHBondContact OG-O 2.85Å; S608-Y677 VanDerWaalsContact CB-OH 3.28Å; S608-Y677 WeakPolarHBondContact CB-OH 3.48Å; S608-Y677 PolarHBondContact OG-OH 3.25Å
609K79.5Confident89.4Confident127 Ų12754.6 Ų54.655%0.55227%0.272SS*.  trans-63.1131.5-174.7-66.8-179.1-177.9171.20111.4Y607Y607-K609 PolarHBondContact O-N 2.83Å
610S78.9Confident89.5Confident43 Ų4350.7 Ų50.730%0.30126%0.257SS..  trans-143.3141.2172.9-169.80000110S608 T612 T614S608-S610 PolarHBondContact O-N 2.94Å; S610-T612 WeakPolarHBondContact CB-O 3.44Å; S610-T612 PolarHBondContact OG-N 3.11Å; S610-T612 VanDerWaalsContact OG-N 3.14Å; S610-T612 PolarHBondContact OG-O 3.22Å; S610-T612 PolarHBondContact OG-OG1 2.99Å; S610-T614 WeakPolarHBondContact CB-O 3.45Å; S610-T614 PolarHBondContact OG-O 2.87Å
611D66.6Low89.6Confident180 Ų18051.2 Ų51.296%0.96326%0.256SS*.SBendtrans-84.91.8169.6-60.8-33.6000111.3
612T77.5Confident89.7Confident90 Ų9051.2 Ų51.255%0.55226%0.256SS*.SBendtrans-123175.8177.466.80000110.3S610 T614S610-T612 WeakPolarHBondContact CB-O 3.44Å; S610-T612 PolarHBondContact OG-N 3.11Å; S610-T612 VanDerWaalsContact OG-N 3.14Å; S610-T612 PolarHBondContact OG-O 3.22Å; S610-T612 PolarHBondContact OG-OG1 2.99Å; T612-T614 PolarHBondContact O-N 3.05Å; T612-T614 PolarHBondContact OG1-N 3Å
613Q82.8Confident89.9Confident117 Ų11749.5 Ų49.555%0.54724%0.242SC..SBendtrans-71.3-5.1172.6-68.5-177.5-4.400113.6H615 T678 T679Q613-H615 PolarHBondContact O-CD2 3.32Å; Q613-T678 VanDerWaalsContact O-CA 3.25Å; Q613-T678 WeakPolarHBondContact O-CA 3.36Å; Q613-T678 WeakPolarHBondContact O-CB 3.46Å; Q613-T678 PolarHBondContact O-OG1 3.26Å; Q613-T678 VanDerWaalsContact O-OG1 3.12Å; Q613-T679 PolarHBondContact O-N 2.81Å
614T89.3Confident90.1Very high41 Ų4144.8 Ų44.825%0.25222%0.223SC..EExtended strand (participates in β ladder)trans-98.5123.3-177-60.70000111.3S610 T612 Q676S610-T614 WeakPolarHBondContact CB-O 3.45Å; S610-T614 PolarHBondContact OG-O 2.87Å; T612-T614 PolarHBondContact O-N 3.05Å; T612-T614 PolarHBondContact OG1-N 3Å; T614-Q676 HydrophobicContact CG2-CG 3.61Å; T614-Q676 VanDerWaalsContact CG2-NE2 3.27Å
615H93.2Very high90.2Very high24 Ų2445 Ų4511%0.11123%0.226CC..EExtended strand (participates in β ladder)trans-114.9159.8-178.4-60.7-87.2000111.4H605 S608 Q613 Q676 Y677H605-H615 AromaticContact CE1-CE1 3.9Å; H605-H615 AromaticContact CE1-ND1 3.96Å; H605-H615 AromaticContact CE1-NE2 3.94Å; S608-H615 PolarHBondContact O-ND1 2.83Å; Q613-H615 PolarHBondContact O-CD2 3.32Å; H615-Q676 WeakPolarHBondContact O-CA 3.39Å; H615-Y677 HydrophobicContact CB-CD1 4.21Å; H615-Y677 HydrophobicContact CB-CD2 4.08Å; H615-Y677 HydrophobicContact CB-CE1 3.66Å; H615-Y677 HydrophobicContact CB-CE2 3.58Å; H615-Y677 HydrophobicContact CB-CG 4.39Å; H615-Y677 PolarHBondContact N-O 3.45Å; H615-Y677 PolarHBondContact O-N 2.88Å
616T93.6Very high90.3Very high13 Ų1347 Ų478%0.0824%0.236CC..EExtended strand (participates in β ladder)trans-137.4136179.8-500000111T566 V571 S608 L674 I675T566-T616 VanDerWaalsContact O-O 3.07Å; V571-T616 HydrophobicContact CG2-CG2 3.87Å; S608-T616 WeakPolarHBondContact CB-O 3.49Å; S608-T616 PolarHBondContact OG-O 2.85Å; T616-L674 HydrophobicContact CG2-CD1 3.26Å; T616-L674 HydrophobicContact CG2-CD2 4.29Å; T616-L674 HydrophobicContact CG2-CG 3.8Å; T616-I675 WeakPolarHBondContact CA-O 3.33Å
617M96.4Very high90.7Very high0 Ų042.1 Ų42.10%021%0.212CC..EExtended strand (participates in β ladder)trans-143.3154.7170.867.1172.867.500111F517 L521 F563 H564 A601 H605 I675 Y677F517-M617 HydrophobicContact CD2-CE 4.39Å; F517-M617 HydrophobicContact CD2-SD 3.84Å; F517-M617 HydrophobicContact CE2-CE 3.81Å; F517-M617 HydrophobicContact CE2-SD 3.81Å; L521-M617 HydrophobicContact CD1-CE 3.75Å; F563-M617 HydrophobicContact CB-SD 4.45Å; F563-M617 HydrophobicContact CD1-SD 3.6Å; F563-M617 HydrophobicContact CE1-SD 4.23Å; F563-M617 HydrophobicContact CG-SD 4.31Å; H564-M617 WeakPolarHBondContact O-CA 3.32Å; A601-M617 HydrophobicContact CB-CE 4.41Å; A601-M617 HydrophobicContact CB-SD 4.02Å; H605-M617 HydrophobicContact CB-CE 4.43Å; M617-I675 HydrophobicContact CG-CB 4.22Å; M617-I675 PolarHBondContact N-O 2.84Å; M617-I675 PolarHBondContact O-N 3.42Å; M617-Y677 HydrophobicContact CB-CE1 4.39Å; M617-Y677 HydrophobicContact CE-CE1 3.56Å; M617-Y677 HydrophobicContact CE-CE2 4.5Å; M617-Y677 VanDerWaalsContact CE-CZ 3.48Å; M617-Y677 WeakPolarHBondContact CE-OH 3.35Å; M617-Y677 HydrophobicContact CG-CE1 3.89Å; M617-Y677 HydrophobicContact SD-CE1 4.39Å
618F98Very high91.2Very high0 Ų040.1 Ų40.10%021%0.208CC..EExtended strand (participates in β ladder)trans-91.8145.5171.1-75-89.5000110.9V532 F563 H564 T566 V571 I574 F579 P671 Y673 L674V532-F618 HydrophobicContact CG2-CE1 4.43Å; F563-F618 CarbonylContact C-O 3.46Å; F563-F618 VanDerWaalsContact CA-O 3.27Å; F563-F618 WeakPolarHBondContact CA-O 3.49Å; H564-F618 HydrophobicContact CB-CB 4.37Å; H564-F618 PolarHBondContact N-O 3.49Å; H564-F618 PolarHBondContact O-N 3.07Å; T566-F618 HydrophobicContact CG2-CD2 3.96Å; T566-F618 HydrophobicContact CG2-CE2 3.87Å; V571-F618 HydrophobicContact CG1-CZ 4.3Å; V571-F618 HydrophobicContact CG2-CE2 4.47Å; I574-F618 HydrophobicContact CB-CE2 3.96Å; I574-F618 HydrophobicContact CB-CZ 3.85Å; I574-F618 HydrophobicContact CD1-CD2 4.31Å; I574-F618 HydrophobicContact CD1-CE2 3.75Å; I574-F618 HydrophobicContact CG1-CE2 4.48Å; I574-F618 HydrophobicContact CG2-CD2 4.27Å; I574-F618 HydrophobicContact CG2-CE1 4.01Å; I574-F618 HydrophobicContact CG2-CE2 3.73Å; I574-F618 HydrophobicContact CG2-CZ 3.57Å; F579-F618 HydrophobicContact CE1-CB 4.23Å; F579-F618 HydrophobicContact CE1-CD2 4.03Å; F579-F618 HydrophobicContact CE1-CG 4.13Å; F579-F618 HydrophobicContact CZ-CB 3.91Å; F579-F618 HydrophobicContact CZ-CD1 4.35Å; F579-F618 HydrophobicContact CZ-CD2 4.29Å; F579-F618 AromaticContact CZ-CG 3.94Å; F579-F618 HydrophobicContact CZ-CG 3.94Å; F618-P671 HydrophobicContact CD1-CB 3.8Å; F618-P671 HydrophobicContact CE1-CB 3.86Å; F618-Y673 CarbonylContact C-O 3.49Å; F618-Y673 VanDerWaalsContact CA-O 3.25Å; F618-Y673 WeakPolarHBondContact CA-O 3.37Å; F618-Y673 WeakPolarHBondContact CD1-O 3.47Å; F618-L674 HydrophobicContact CD1-CD1 4.05Å; F618-L674 HydrophobicContact CD2-CD1 4.06Å; F618-L674 HydrophobicContact CE1-CB 4.37Å; F618-L674 HydrophobicContact CE1-CD1 3.76Å; F618-L674 HydrophobicContact CE2-CD1 3.75Å; F618-L674 HydrophobicContact CG-CD1 4.21Å; F618-L674 HydrophobicContact CZ-CD1 3.61Å
619L98.4Very high91.6Very high0 Ų047.4 Ų47.40%024%0.235CC..EExtended strand (participates in β ladder)trans-105.5106.6154.7-179.766.1000106.8V513 L516 Q561 F563 Y673 I675V513-L619 HydrophobicContact CB-CD2 4.38Å; V513-L619 HydrophobicContact CG1-CD2 3.84Å; V513-L619 HydrophobicContact CG2-CD2 4.2Å; L516-L619 HydrophobicContact CD1-CD2 3.89Å; Q561-L619 HydrophobicContact CB-CD1 3.96Å; Q561-L619 HydrophobicContact CB-CG 4.28Å; F563-L619 HydrophobicContact CD1-CB 4.37Å; F563-L619 HydrophobicContact CD1-CD1 3.97Å; F563-L619 HydrophobicContact CD2-CD1 4.33Å; F563-L619 HydrophobicContact CE1-CB 4.26Å; F563-L619 HydrophobicContact CE1-CD1 3.78Å; F563-L619 HydrophobicContact CE1-CG 4.48Å; F563-L619 HydrophobicContact CE2-CD1 4.16Å; F563-L619 HydrophobicContact CG-CD1 4.25Å; F563-L619 HydrophobicContact CZ-CD1 3.87Å; L619-Y673 HydrophobicContact CB-CD2 4.48Å; L619-Y673 HydrophobicContact CD2-CD2 4.19Å; L619-Y673 PolarHBondContact N-O 2.84Å; L619-Y673 PolarHBondContact O-N 2.81Å; L619-I675 HydrophobicContact CB-CD1 4.29Å
620A98.2Very high92.3Very high0 Ų041.9 Ų41.90%021%0.214CC..EExtended strand (participates in β ladder)trans-102149-174.500000111.2Q561 L562 F579 F597 V622 V669 Y670Q561-A620 CarbonylContact C-O 3.46Å; Q561-A620 WeakPolarHBondContact CA-O 3.38Å; L562-A620 PolarHBondContact N-O 3.48Å; L562-A620 PolarHBondContact O-N 3.5Å; F579-A620 HydrophobicContact CE2-CB 3.9Å; F579-A620 HydrophobicContact CZ-CB 4.01Å; F597-A620 HydrophobicContact CD1-CB 4.17Å; F597-A620 HydrophobicContact CE1-CB 3.8Å; A620-V622 HydrophobicContact CB-CG2 4.2Å; A620-V669 HydrophobicContact CB-CG1 3.87Å; A620-Y670 CarbonylContact C-O 3.58Å; A620-Y670 VanDerWaalsContact CA-O 3.31Å; A620-Y670 WeakPolarHBondContact CA-O 3.23Å; A620-Y670 WeakPolarHBondContact CB-O 3.31Å
621R98.1Very high92.9Very high50 Ų5043.4 Ų43.419%0.18922%0.218CC..EExtended strand (participates in β ladder)trans-83.4130.3162.9-68.3178.3173.3-91.8-10.1109.3Y541 E559 V669 Y670 E672Y541-R621 HydrophobicContact CE1-CB 4.37Å; Y541-R621 HydrophobicContact CE2-CB 4.25Å; Y541-R621 WeakPolarHBondContact OH-CB 3.3Å; E559-R621 WeakPolarHBondContact OE1-CD 3.37Å; E559-R621 IonicContact OE1-CZ 2.91Å; E559-R621 IonicContact OE1-NH1 2.71Å; E559-R621 PolarHBondContact OE1-NH1 3.25Å; R621-V669 CarbonylContact O-C 3.52Å; R621-V669 WeakPolarHBondContact O-CA 3.46Å; R621-Y670 PolarHBondContact N-O 3.02Å; R621-Y670 PolarHBondContact O-N 2.89Å; R621-E672 HydrophobicContact CG-CB 4.23Å; R621-E672 HydrophobicContact CG-CG 4.47Å; R621-E672 WeakPolarHBondContact CG-OE2 3.18Å; R621-E672 IonicContact CZ-OE1 3.95Å; R621-E672 VanDerWaalsContact CZ-OE1 3.25Å; R621-E672 IonicContact CZ-OE2 3.56Å; R621-E672 IonicContact NE-OE1 3.84Å; R621-E672 PolarHBondContact NE-OE1 2.87Å; R621-E672 IonicContact NE-OE2 2.71Å; R621-E672 PolarHBondContact NE-OE2 3.19Å; R621-E672 VanDerWaalsContact NE-OE2 3.09Å; R621-E672 IonicContact NH2-OE1 3.3Å; R621-E672 PolarHBondContact NH2-OE1 3.5Å; R621-E672 IonicContact NH2-OE2 3.37Å
622V98.3Very high93.9Very high0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans-133.4122.9-173.5-174.40000109.9E559 R560 L562 F597 A620 V624 I663 Q668 V669E559-V622 WeakPolarHBondContact CA-O 3.45Å; R560-V622 PolarHBondContact N-O 3.34Å; R560-V622 PolarHBondContact O-N 3.05Å; L562-V622 HydrophobicContact CB-CG2 4.22Å; L562-V622 HydrophobicContact CD1-CB 4.01Å; L562-V622 HydrophobicContact CD1-CG1 4.28Å; L562-V622 HydrophobicContact CD1-CG2 4.08Å; L562-V622 HydrophobicContact CG-CG2 4.43Å; F597-V622 HydrophobicContact CD1-CG2 3.93Å; F597-V622 HydrophobicContact CD2-CG2 4.31Å; F597-V622 HydrophobicContact CE1-CG2 4.25Å; F597-V622 HydrophobicContact CG-CG2 4Å; A620-V622 HydrophobicContact CB-CG2 4.2Å; V622-V624 HydrophobicContact CB-CG1 4.25Å; V622-V624 HydrophobicContact CG1-CG1 3.76Å; V622-V624 PolarHBondContact O-N 3.1Å; V622-V624 VanDerWaalsContact O-N 3.12Å; V622-I663 HydrophobicContact CG1-CD1 3.48Å; V622-I663 VanDerWaalsContact CG1-CD1 3.48Å; V622-I663 HydrophobicContact CG1-CG1 3.53Å; V622-Q668 CarbonylContact C-O 3.57Å; V622-Q668 WeakPolarHBondContact CA-O 2.94Å; V622-V669 HydrophobicContact CG1-CG2 4.35Å; V622-V669 HydrophobicContact CG2-CG1 4.17Å; V622-V669 HydrophobicContact CG2-CG2 4.47Å
623L97.9Very high94.4Very high0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-80.284.9171.3-56.6174.7000108.9Y541 Q544 K545 M548 V557 E559 G625 Q668Y541-L623 HydrophobicContact CD2-CD1 4.28Å; Y541-L623 HydrophobicContact CD2-CG 4.32Å; Y541-L623 HydrophobicContact CE2-CD1 4.01Å; Y541-L623 HydrophobicContact CE2-CD2 4.09Å; Y541-L623 HydrophobicContact CE2-CG 3.57Å; Y541-L623 WeakPolarHBondContact OH-CD2 3.41Å; Q544-L623 HydrophobicContact CB-CD1 4.15Å; Q544-L623 HydrophobicContact CG-CD1 3.98Å; K545-L623 HydrophobicContact CB-CD1 3.69Å; K545-L623 HydrophobicContact CB-CD2 3.9Å; K545-L623 HydrophobicContact CB-CG 4.46Å; K545-L623 HydrophobicContact CD-CD2 4Å; K545-L623 HydrophobicContact CG-CD1 4.45Å; K545-L623 HydrophobicContact CG-CD2 3.78Å; M548-L623 HydrophobicContact CE-CB 3.97Å; M548-L623 HydrophobicContact SD-CB 3.73Å; M548-L623 HydrophobicContact SD-CD1 3.85Å; M548-L623 HydrophobicContact SD-CG 4.42Å; V557-L623 HydrophobicContact CG1-CB 4.29Å; V557-L623 HydrophobicContact CG1-CD2 4.28Å; E559-L623 HydrophobicContact CB-CD2 4.12Å; E559-L623 HydrophobicContact CG-CD2 4.21Å; L623-G625 VanDerWaalsContact C-N 3.31Å; L623-Q668 HydrophobicContact CB-CB 4.12Å; L623-Q668 HydrophobicContact CB-CG 4.41Å; L623-Q668 PolarHBondContact N-O 2.89Å; L623-Q668 PolarHBondContact O-NE2 3.11Å
624V97.1Very high94.7Very high0 Ų033.3 Ų33.30%018%0.175CC..  trans-74.3-26.3-177.8-59.30000112.1D558 R560 L562 V622 F627 D649 S650 F661D558-V624 HydrophobicContact CB-CG2 3.79Å; D558-V624 WeakPolarHBondContact O-CG2 3.48Å; D558-V624 PolarHBondContact O-N 3.15Å; D558-V624 WeakPolarHBondContact OD1-CG2 3.48Å; R560-V624 HydrophobicContact CB-CG1 4.44Å; R560-V624 HydrophobicContact CG-CG1 4.41Å; R560-V624 HydrophobicContact CG-CG2 3.91Å; L562-V624 HydrophobicContact CD1-CG1 3.98Å; V622-V624 HydrophobicContact CB-CG1 4.25Å; V622-V624 HydrophobicContact CG1-CG1 3.76Å; V622-V624 PolarHBondContact O-N 3.1Å; V622-V624 VanDerWaalsContact O-N 3.12Å; V624-F627 HydrophobicContact CB-CD1 4.49Å; V624-F627 HydrophobicContact CG2-CD1 4.27Å; V624-F627 HydrophobicContact CG2-CE1 4.44Å; V624-D649 WeakPolarHBondContact O-CB 3.26Å; V624-S650 WeakPolarHBondContact O-CB 3.37Å; V624-S650 PolarHBondContact O-OG 3.41Å; V624-F661 HydrophobicContact CB-CD1 3.77Å; V624-F661 HydrophobicContact CB-CE1 3.84Å; V624-F661 HydrophobicContact CG1-CB 4.42Å; V624-F661 HydrophobicContact CG1-CD1 3.41Å; V624-F661 VanDerWaalsContact CG1-CD1 3.41Å; V624-F661 HydrophobicContact CG1-CE1 3.74Å; V624-F661 HydrophobicContact CG1-CG 3.92Å; V624-F661 HydrophobicContact CG1-CZ 4.49Å; V624-F661 HydrophobicContact CG2-CE1 4.12Å
625G95.9Very high94.6Very high8 Ų835.9 Ų35.98%0.08219%0.19CC..  trans52.9-144.6177.800000112.7D558 L623 F627D558-G625 PolarHBondContact O-N 3.42Å; D558-G625 VanDerWaalsContact O-N 3.09Å; L623-G625 VanDerWaalsContact C-N 3.31Å; G625-F627 WeakPolarHBondContact O-CD1 3.43Å
626E94.6Very high94.4Very high77 Ų7740.8 Ų40.836%0.3621%0.208SC..SBendtrans-80.5123.5170.3-67.2-173.1175.700110.1K640 Y648 D649E626-K640 WeakPolarHBondContact OE2-CE 3.36Å; E626-K640 IonicContact OE2-NZ 2.75Å; E626-K640 PolarHBondContact OE2-NZ 3.43Å; E626-Y648 HydrophobicContact CB-CD1 4.12Å; E626-D649 PolarHBondContact N-OD2 3.45Å; E626-D649 PolarHBondContact O-N 2.76Å
627F96.4Very high94.4Very high40 Ų4040.9 Ų40.918%0.17521%0.208CC..EExtended strand (participates in β ladder)trans-116.4155.6-17649.3-97.7000113V624 G625 S650 V652 V655 P658 F661V624-F627 HydrophobicContact CB-CD1 4.49Å; V624-F627 HydrophobicContact CG2-CD1 4.27Å; V624-F627 HydrophobicContact CG2-CE1 4.44Å; G625-F627 WeakPolarHBondContact O-CD1 3.43Å; F627-S650 WeakPolarHBondContact CA-O 3.44Å; F627-S650 WeakPolarHBondContact CB-OG 3.44Å; F627-V652 HydrophobicContact CB-CG1 3.89Å; F627-V652 HydrophobicContact CB-CG2 4.4Å; F627-V652 HydrophobicContact CD2-CB 4.42Å; F627-V652 HydrophobicContact CD2-CG1 3.84Å; F627-V652 HydrophobicContact CD2-CG2 3.69Å; F627-V652 HydrophobicContact CE2-CG2 4.46Å; F627-V652 HydrophobicContact CG-CG1 3.89Å; F627-V652 HydrophobicContact CG-CG2 4.39Å; F627-V655 HydrophobicContact CE2-CG1 4.33Å; F627-P658 HydrophobicContact CE2-CG 4.18Å; F627-P658 HydrophobicContact CZ-CG 4.19Å; F627-F661 AromaticContact CD1-CE1 3.97Å; F627-F661 HydrophobicContact CD1-CE1 3.97Å; F627-F661 HydrophobicContact CE1-CE1 4.21Å; F627-F661 HydrophobicContact CG-CE1 4.3Å
628V96.6Very high94.2Very high31 Ų3142.5 Ų42.519%0.18822%0.219CC..EExtended strand (participates in β ladder)trans-135.7160.3178.665.30000110.1G630 P638 Y648 S650 C651 V652V628-G630 PolarHBondContact O-N 3.43Å; V628-P638 HydrophobicContact CG1-CG 3.54Å; V628-Y648 HydrophobicContact CB-CD1 3.91Å; V628-Y648 HydrophobicContact CB-CD2 3.76Å; V628-Y648 HydrophobicContact CB-CE1 4Å; V628-Y648 HydrophobicContact CB-CE2 3.83Å; V628-Y648 HydrophobicContact CB-CG 3.79Å; V628-Y648 HydrophobicContact CG1-CD1 4.26Å; V628-Y648 HydrophobicContact CG1-CD2 3.58Å; V628-Y648 HydrophobicContact CG1-CE2 4.11Å; V628-Y648 HydrophobicContact CG1-CG 3.65Å; V628-Y648 HydrophobicContact CG2-CD2 4.33Å; V628-Y648 HydrophobicContact CG2-CE2 4Å; V628-S650 PolarHBondContact N-O 2.85Å; V628-C651 CarbonylContact O-C 3.51Å; V628-C651 VanDerWaalsContact O-CA 3.23Å; V628-C651 WeakPolarHBondContact O-CA 3.49Å; V628-V652 WeakPolarHBondContact O-CG2 3.49Å; V628-V652 PolarHBondContact O-N 2.92Å
629R97.1Very high93.7Very high155 Ų15544.7 Ų44.759%0.58524%0.237SC*.EExtended strand (participates in β ladder)trans-59.1127176-169.3178-179.4121.1-1.9110.6V652 V655R629-V652 CarbonylContact C-O 3.58Å; R629-V652 WeakPolarHBondContact CA-O 3.38Å; R629-V655 HydrophobicContact CB-CG2 4.25Å
630G94.5Very high93.2Very high10 Ų1046.6 Ų46.610%0.10325%0.246CC..  trans-77.8164.4-17800000114.2Y591 V628 V652Y591-G630 WeakPolarHBondContact O-CA 3.47Å; V628-G630 PolarHBondContact O-N 3.43Å; G630-V652 PolarHBondContact N-O 3.48Å
631N90.8Very high92.3Very high75 Ų7555.6 Ų55.640%0.40129%0.287SS..  trans-140.2145.3174.7-175.1-81.4000110.2S590 Y591 G592 S633 F634S590-N631 CarbonylContact O-C 3.6Å; Y591-N631 CarbonylContact C-O 3.58Å; Y591-N631 PolarHBondContact O-N 3.49Å; G592-N631 VanDerWaalsContact CA-O 3.27Å; G592-N631 WeakPolarHBondContact CA-O 3.44Å; G592-N631 PolarHBondContact N-O 3.13Å; G592-N631 VanDerWaalsContact N-O 3.15Å; N631-S633 PolarHBondContact O-N 2.96Å; N631-S633 VanDerWaalsContact O-N 3.12Å; N631-S633 WeakPolarHBondContact OD1-CB 3.47Å; N631-S633 PolarHBondContact OD1-N 2.68Å; N631-S633 PolarHBondContact OD1-OG 2.86Å; N631-F634 HydrophobicContact CB-CD1 3.92Å; N631-F634 HydrophobicContact CB-CD2 3.79Å; N631-F634 HydrophobicContact CB-CE1 3.71Å; N631-F634 HydrophobicContact CB-CE2 3.57Å; N631-F634 HydrophobicContact CB-CG 3.96Å; N631-F634 HydrophobicContact CB-CZ 3.54Å; N631-F634 VanDerWaalsContact N-CD2 3.33Å; N631-F634 WeakPolarHBondContact O-CB 3.5Å; N631-F634 WeakPolarHBondContact O-CG 3.26Å; N631-F634 PolarHBondContact O-N 2.79Å
632A88.5Confident90.9Very high43 Ų4357.4 Ų57.436%0.35532%0.322SS..THydrogen-bonded Turntrans-61.5-23.6-176.200000115.6T589 S590 F634T589-A632 WeakPolarHBondContact O-CA 3.42Å; T589-A632 WeakPolarHBondContact O-CB 3.25Å; S590-A632 PolarHBondContact O-N 2.92Å; S590-A632 VanDerWaalsContact O-N 3.12Å; A632-F634 VanDerWaalsContact C-N 3.32Å
633S87.3Confident89.3Confident79 Ų7966 Ų6655%0.55236%0.355SS*.THydrogen-bonded Turntrans-77.2-18177.566.40000113.4N631 V635N631-S633 PolarHBondContact O-N 2.96Å; N631-S633 VanDerWaalsContact O-N 3.12Å; N631-S633 WeakPolarHBondContact OD1-CB 3.47Å; N631-S633 PolarHBondContact OD1-N 2.68Å; N631-S633 PolarHBondContact OD1-OG 2.86Å; S633-V635 PolarHBondContact O-N 3.46Å
634F87.7Confident87.2Confident53 Ų5370.9 Ų70.923%0.23239%0.389CS..  trans-66.5128.2-173.2-65.4-13000111.9K593 N631 A632 P638 F664K593-F634 PolarHBondContact N-O 2.84Å; N631-F634 HydrophobicContact CB-CD1 3.92Å; N631-F634 HydrophobicContact CB-CD2 3.79Å; N631-F634 HydrophobicContact CB-CE1 3.71Å; N631-F634 HydrophobicContact CB-CE2 3.57Å; N631-F634 HydrophobicContact CB-CG 3.96Å; N631-F634 HydrophobicContact CB-CZ 3.54Å; N631-F634 VanDerWaalsContact N-CD2 3.33Å; N631-F634 WeakPolarHBondContact O-CB 3.5Å; N631-F634 WeakPolarHBondContact O-CG 3.26Å; N631-F634 PolarHBondContact O-N 2.79Å; A632-F634 VanDerWaalsContact C-N 3.32Å; F634-P638 HydrophobicContact CE2-CB 4.42Å; F634-P638 HydrophobicContact CE2-CG 3.9Å; F634-P638 HydrophobicContact CZ-CB 4.2Å; F634-P638 HydrophobicContact CZ-CG 4.11Å; F634-F664 HydrophobicContact CB-CE1 4.33Å; F634-F664 HydrophobicContact CB-CZ 4.18Å
635V88.3Confident85.8Confident96 Ų9678.2 Ų78.258%0.58243%0.428SS*.SBendtrans-104.9-6.7171.3-68.20000112.3K593 S633 F664K593-V635 HydrophobicContact CD-CG1 3.99Å; S633-V635 PolarHBondContact O-N 3.46Å; V635-F664 VanDerWaalsContact C-CD1 3.49Å; V635-F664 WeakPolarHBondContact O-CD1 3.44Å
636R89.4Confident85Confident127 Ų12779.1 Ų79.148%0.47944%0.435SS..SBendtrans-160.6162.9174.160.8-179.8-171.179.5-10.7107.6F647R636-F647 VanDerWaalsContact CZ-CE1 3.5Å
637P92.5Very high84.7Confident14 Ų1479.4 Ų79.49%0.09144%0.435CS..PPolyproline II helixtrans-60.7148.3174.6-20.332.8000111.7Y648 F664P637-Y648 WeakPolarHBondContact CB-O 3.45Å; P637-Y648 WeakPolarHBondContact CG-O 3.39Å; P637-F664 VanDerWaalsContact CD-CD2 3.45Å; P637-F664 HydrophobicContact CG-CD2 3.62Å; P637-F664 HydrophobicContact CG-CE2 3.96Å; P637-F664 HydrophobicContact CG-CG 4.49Å
638P92.1Very high84.6Confident34 Ų3480.3 Ų80.322%0.22144%0.437CS..PPolyproline II helixtrans-74169179.733-36.3000112V628 F634 Y648V628-P638 HydrophobicContact CG1-CG 3.54Å; F634-P638 HydrophobicContact CE2-CB 4.42Å; F634-P638 HydrophobicContact CE2-CG 3.9Å; F634-P638 HydrophobicContact CZ-CB 4.2Å; F634-P638 HydrophobicContact CZ-CG 4.11Å; P638-Y648 HydrophobicContact CG-CD2 4.25Å; P638-Y648 PolarHBondContact O-N 2.94Å
639A89.1Confident84.5Confident47 Ų4780.1 Ų80.139%0.38844%0.436SS..EExtended strand (participates in β ladder)trans-68.9150175.900000111.1A646 F647A639-A646 WeakPolarHBondContact CA-O 3.38Å; A639-F647 HydrophobicContact CB-CD1 3.95Å; A639-F647 HydrophobicContact CB-CE1 3.77Å
640K87.5Confident84.5Confident40 Ų4072.8 Ų72.817%0.17441%0.408CS..EExtended strand (participates in β ladder)trans-75.2136.7171.8-65.5179.6-178.7168.40109.3E626 G642 R643 A646 F647 Y648E626-K640 WeakPolarHBondContact OE2-CE 3.36Å; E626-K640 IonicContact OE2-NZ 2.75Å; E626-K640 PolarHBondContact OE2-NZ 3.43Å; K640-G642 PolarHBondContact O-N 2.84Å; K640-R643 PolarHBondContact O-N 2.64Å; K640-A646 HydrophobicContact CD-CB 4.21Å; K640-A646 PolarHBondContact N-O 2.8Å; K640-F647 WeakPolarHBondContact CE-O 3.39Å; K640-F647 PolarHBondContact NZ-O 2.9Å; K640-Y648 HydrophobicContact CB-CE2 4.3Å; K640-Y648 HydrophobicContact CG-CD1 4.24Å; K640-Y648 HydrophobicContact CG-CD2 3.87Å; K640-Y648 HydrophobicContact CG-CE1 4.18Å; K640-Y648 HydrophobicContact CG-CE2 3.81Å; K640-Y648 HydrophobicContact CG-CG 4.09Å
641E79.5Confident84.6Confident188 Ų18872.3 Ų72.388%0.87940%0.403SS*.THydrogen-bonded Turntrans-59.8136.2178.7-64.6-164.9166.700110.9R643E641-R643 VanDerWaalsContact C-N 3.27Å; E641-R643 PolarHBondContact O-N 3.16Å
642G67.3Low84.9Confident89 Ų8968.7 Ų68.792%0.91838%0.384SS*.THydrogen-bonded Turntrans76.1-0.1-179.100000116.1K640K640-G642 PolarHBondContact O-N 2.84Å
643R65.8Low85.2Confident181 Ų18167.9 Ų67.968%0.68337%0.373SS*.EExtended strand (participates in β ladder)trans-136.291.8176.4-63.4-175-176.5-176.31.9110.9K640 E641 N645 A646K640-R643 PolarHBondContact O-N 2.64Å; E641-R643 VanDerWaalsContact C-N 3.27Å; E641-R643 PolarHBondContact O-N 3.16Å; R643-N645 PolarHBondContact O-N 3.39Å; R643-A646 HydrophobicContact CB-CB 3.99Å; R643-A646 PolarHBondContact O-N 3.03Å; R643-A646 VanDerWaalsContact O-N 3.14Å
644S54.4Low85.6Confident102 Ų10265.6 Ų65.671%0.71336%0.358SS*.EExtended strand (participates in β ladder)trans-56.9-23.2-177.450.30000114.8
645N67.1Low85.9Confident153 Ų15366.8 Ų66.882%0.81837%0.369SS*.EExtended strand (participates in β ladder)trans-103.44.7-177.1-68.5-9.3000114.7R643R643-N645 PolarHBondContact O-N 3.39Å
646A78.2Confident86.2Confident28 Ų2867.8 Ų67.823%0.23138%0.38CS..EExtended strand (participates in β ladder)trans-118.2130.2179.200000110.9A639 K640 R643A639-A646 WeakPolarHBondContact CA-O 3.38Å; K640-A646 HydrophobicContact CD-CB 4.21Å; K640-A646 PolarHBondContact N-O 2.8Å; R643-A646 HydrophobicContact CB-CB 3.99Å; R643-A646 PolarHBondContact O-N 3.03Å; R643-A646 VanDerWaalsContact O-N 3.14Å
647F88.5Confident86.5Confident83 Ų8366 Ų6636%0.36438%0.38SS..EExtended strand (participates in β ladder)trans-107.1153.5177.4-62.1-74.2000110.4R636 A639 K640R636-F647 VanDerWaalsContact CZ-CE1 3.5Å; A639-F647 HydrophobicContact CB-CD1 3.95Å; A639-F647 HydrophobicContact CB-CE1 3.77Å; K640-F647 WeakPolarHBondContact CE-O 3.39Å; K640-F647 PolarHBondContact NZ-O 2.9Å
648Y94.1Very high86.7Confident58 Ų5865.9 Ų65.923%0.22738%0.379CS..  trans-62.4160.7163.6-72.8-81.7000110.3E626 V628 P637 P638 K640E626-Y648 HydrophobicContact CB-CD1 4.12Å; V628-Y648 HydrophobicContact CB-CD1 3.91Å; V628-Y648 HydrophobicContact CB-CD2 3.76Å; V628-Y648 HydrophobicContact CB-CE1 4Å; V628-Y648 HydrophobicContact CB-CE2 3.83Å; V628-Y648 HydrophobicContact CB-CG 3.79Å; V628-Y648 HydrophobicContact CG1-CD1 4.26Å; V628-Y648 HydrophobicContact CG1-CD2 3.58Å; V628-Y648 HydrophobicContact CG1-CE2 4.11Å; V628-Y648 HydrophobicContact CG1-CG 3.65Å; V628-Y648 HydrophobicContact CG2-CD2 4.33Å; V628-Y648 HydrophobicContact CG2-CE2 4Å; P637-Y648 WeakPolarHBondContact CB-O 3.45Å; P637-Y648 WeakPolarHBondContact CG-O 3.39Å; P638-Y648 HydrophobicContact CG-CD2 4.25Å; P638-Y648 PolarHBondContact O-N 2.94Å; K640-Y648 HydrophobicContact CB-CE2 4.3Å; K640-Y648 HydrophobicContact CG-CD1 4.24Å; K640-Y648 HydrophobicContact CG-CD2 3.87Å; K640-Y648 HydrophobicContact CG-CE1 4.18Å; K640-Y648 HydrophobicContact CG-CE2 3.81Å; K640-Y648 HydrophobicContact CG-CG 4.09Å
649D95Very high86.8Confident28 Ų2865.7 Ų65.715%0.1538%0.379CS..SBendtrans-94.1-30.3-176.3-61.5-58.2000111.9M548 V624 E626 Q668M548-D649 HydrophobicContact CE-CB 3.67Å; V624-D649 WeakPolarHBondContact O-CB 3.26Å; E626-D649 PolarHBondContact N-OD2 3.45Å; E626-D649 PolarHBondContact O-N 2.76Å; D649-Q668 PolarHBondContact O-NE2 3.36Å; D649-Q668 PolarHBondContact O-OE1 3.01Å
650S97Very high87.2Confident0 Ų063.9 Ų63.90%036%0.363CS..EExtended strand (participates in β ladder)trans-150.9172.5176.967.10000112.9V624 F627 V628V624-S650 WeakPolarHBondContact O-CB 3.37Å; V624-S650 PolarHBondContact O-OG 3.41Å; F627-S650 WeakPolarHBondContact CA-O 3.44Å; F627-S650 WeakPolarHBondContact CB-OG 3.44Å; V628-S650 PolarHBondContact N-O 2.85Å
651C96.9Very high87.7Confident0 Ų062 Ų620%036%0.355CS..EExtended strand (participates in β ladder)trans-118.2146.4175.1-74.90000111.3V628 F661 V662 F664V628-C651 CarbonylContact O-C 3.51Å; V628-C651 VanDerWaalsContact O-CA 3.23Å; V628-C651 WeakPolarHBondContact O-CA 3.49Å; C651-F661 CarbonylContact O-C 3.6Å; C651-F661 WeakPolarHBondContact O-CA 3.46Å; C651-V662 HydrophobicContact CB-CB 4.22Å; C651-V662 PolarHBondContact N-O 3.49Å; C651-V662 VanDerWaalsContact N-O 3.11Å; C651-V662 PolarHBondContact O-N 3.23Å; C651-F664 HydrophobicContact CB-CE2 3.93Å; C651-F664 HydrophobicContact CB-CZ 4.25Å
652V97.4Very high88.4Confident0 Ų053.1 Ų53.10%031%0.313CS..EExtended strand (participates in β ladder)trans-128.9162.8-178.7-67.80000112.6F627 V628 R629 G630 S654 V655 P658 I660 F661F627-V652 HydrophobicContact CB-CG1 3.89Å; F627-V652 HydrophobicContact CB-CG2 4.4Å; F627-V652 HydrophobicContact CD2-CB 4.42Å; F627-V652 HydrophobicContact CD2-CG1 3.84Å; F627-V652 HydrophobicContact CD2-CG2 3.69Å; F627-V652 HydrophobicContact CE2-CG2 4.46Å; F627-V652 HydrophobicContact CG-CG1 3.89Å; F627-V652 HydrophobicContact CG-CG2 4.39Å; V628-V652 WeakPolarHBondContact O-CG2 3.49Å; V628-V652 PolarHBondContact O-N 2.92Å; R629-V652 CarbonylContact C-O 3.58Å; R629-V652 WeakPolarHBondContact CA-O 3.38Å; G630-V652 PolarHBondContact N-O 3.48Å; V652-S654 VanDerWaalsContact CG2-O 3.31Å; V652-S654 WeakPolarHBondContact CG2-O 3.42Å; V652-V655 HydrophobicContact CG2-CG2 4.08Å; V652-P658 HydrophobicContact CB-CB 4.04Å; V652-P658 HydrophobicContact CG1-CB 3.8Å; V652-I660 VanDerWaalsContact CA-O 3.25Å; V652-I660 WeakPolarHBondContact CA-O 3.44Å; V652-F661 HydrophobicContact CG1-CD1 3.35Å; V652-F661 HydrophobicContact CG1-CE1 3.41Å; V652-F661 VanDerWaalsContact CG1-CE1 3.41Å; V652-F661 HydrophobicContact CG1-CG 4.02Å; V652-F661 HydrophobicContact CG1-CZ 4.11Å
653N94.6Very high89.8Confident25 Ų2549 Ų4913%0.13427%0.27CS..SBendtrans-73.1-37.2172.265.3-41.8000113.1Y591 S659 I660Y591-N653 HydrophobicContact CD1-CB 4.44Å; Y591-N653 HydrophobicContact CD2-CB 4.01Å; Y591-N653 HydrophobicContact CE1-CB 3.98Å; Y591-N653 HydrophobicContact CE2-CB 3.5Å; Y591-N653 HydrophobicContact CG-CB 4.45Å; Y591-N653 VanDerWaalsContact CZ-CB 3.48Å; N653-S659 PolarHBondContact ND2-OG 2.92Å; N653-S659 PolarHBondContact OD1-N 2.82Å; N653-S659 VanDerWaalsContact OD1-N 3.11Å; N653-I660 HydrophobicContact CB-CB 4.14Å; N653-I660 HydrophobicContact CB-CD1 4.38Å; N653-I660 PolarHBondContact N-O 2.85Å; N653-I660 PolarHBondContact OD1-N 2.94Å; N653-I660 PolarHBondContact OD1-O 2.85Å
654S94.9Very high91Very high32 Ų3241.9 Ų41.922%0.22424%0.244CC..  trans-142.9137.4177.1-1780000109.4V652 S656 P658V652-S654 VanDerWaalsContact CG2-O 3.31Å; V652-S654 WeakPolarHBondContact CG2-O 3.42Å; S654-S656 PolarHBondContact OG-OG 2.7Å; S654-P658 WeakPolarHBondContact O-CA 3.4Å; S654-P658 VanDerWaalsContact O-CB 3.28Å; S654-P658 WeakPolarHBondContact O-CB 3.47Å
655V94.9Very high92.6Very high77 Ų7740.3 Ų40.347%0.46723%0.225SC..SBendtrans-80.6-36-178.5178.60000111.5F627 R629 V652F627-V655 HydrophobicContact CE2-CG1 4.33Å; R629-V655 HydrophobicContact CB-CG2 4.25Å; V652-V655 HydrophobicContact CG2-CG2 4.08Å
656S95Very high93.6Very high117 Ų11737.9 Ų37.982%0.81821%0.207SC*.SBendtrans-75.9-35.9-179.1500000113.3S654S654-S656 PolarHBondContact OG-OG 2.7Å
657D95.1Very high94.1Very high89 Ų8937.7 Ų37.748%0.47620%0.201SC..SBendtrans-137.377.9176.8-178.434.4000110.4R599 S659R599-D657 IonicContact CZ-OD1 3.9Å; R599-D657 IonicContact NH1-OD1 3.48Å; R599-D657 PolarHBondContact NH1-OD1 2.85Å; R599-D657 IonicContact NH1-OD2 2.65Å; D657-S659 PolarHBondContact O-N 3.43Å
658P96.8Very high94.4Very high12 Ų1234.1 Ų34.18%0.07819%0.186CC..  trans-74.3117.3-176.929.7-34.6000110.9F627 V652 S654 F661F627-P658 HydrophobicContact CE2-CG 4.18Å; F627-P658 HydrophobicContact CZ-CG 4.19Å; V652-P658 HydrophobicContact CB-CB 4.04Å; V652-P658 HydrophobicContact CG1-CB 3.8Å; S654-P658 WeakPolarHBondContact O-CA 3.4Å; S654-P658 VanDerWaalsContact O-CB 3.28Å; S654-P658 WeakPolarHBondContact O-CB 3.47Å; P658-F661 HydrophobicContact CB-CE1 4.09Å; P658-F661 HydrophobicContact CB-CE2 3.87Å; P658-F661 HydrophobicContact CB-CZ 3.46Å; P658-F661 VanDerWaalsContact CB-CZ 3.46Å; P658-F661 HydrophobicContact CG-CE1 4.42Å; P658-F661 HydrophobicContact CG-CE2 4.3Å; P658-F661 HydrophobicContact CG-CZ 3.64Å
659S94.4Very high94.6Very high30 Ų3031.5 Ų31.521%0.2118%0.176CC..  trans-108.7-17.9174.439.30000112.9A598 R599 N653 D657A598-S659 WeakPolarHBondContact CA-O 3.35Å; R599-S659 PolarHBondContact N-O 3.11Å; N653-S659 PolarHBondContact ND2-OG 2.92Å; N653-S659 PolarHBondContact OD1-N 2.82Å; N653-S659 VanDerWaalsContact OD1-N 3.11Å; D657-S659 PolarHBondContact O-N 3.43Å
660I96.3Very high94.7Very high10 Ų1030.1 Ų30.15%0.05117%0.169CC..EExtended strand (participates in β ladder)trans-129.4130.6177.5-57.8171.7000108.9Y591 Y596 F597 Y603 V652 N653Y591-I660 HydrophobicContact CE2-CD1 4.4Å; Y596-I660 HydrophobicContact CD1-CG2 3.64Å; Y596-I660 HydrophobicContact CE1-CG2 4.17Å; F597-I660 WeakPolarHBondContact O-CA 3.45Å; Y603-I660 HydrophobicContact CE1-CD1 3.9Å; Y603-I660 HydrophobicContact CE1-CG1 4.16Å; Y603-I660 HydrophobicContact CE2-CD1 4.02Å; Y603-I660 WeakPolarHBondContact OH-CD1 3.32Å; V652-I660 VanDerWaalsContact CA-O 3.25Å; V652-I660 WeakPolarHBondContact CA-O 3.44Å; N653-I660 HydrophobicContact CB-CB 4.14Å; N653-I660 HydrophobicContact CB-CD1 4.38Å; N653-I660 PolarHBondContact N-O 2.85Å; N653-I660 PolarHBondContact OD1-N 2.94Å; N653-I660 PolarHBondContact OD1-O 2.85Å
661F97.5Very high94.7Very high1 Ų130.1 Ų30.10%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-117.7137.8174.9-67.4-96.4000110.3L562 Y596 F597 V624 F627 C651 V652 P658L562-F661 HydrophobicContact CD1-CB 3.9Å; L562-F661 HydrophobicContact CD1-CD2 3.51Å; L562-F661 HydrophobicContact CD1-CE2 4.21Å; L562-F661 HydrophobicContact CD1-CG 3.76Å; L562-F661 HydrophobicContact CD2-CD2 4.03Å; L562-F661 HydrophobicContact CD2-CE2 4.12Å; L562-F661 HydrophobicContact CG-CD2 4.46Å; Y596-F661 CarbonylContact C-O 3.45Å; Y596-F661 WeakPolarHBondContact CA-O 3.31Å; F597-F661 PolarHBondContact N-O 2.83Å; F597-F661 PolarHBondContact O-N 2.99Å; V624-F661 HydrophobicContact CB-CD1 3.77Å; V624-F661 HydrophobicContact CB-CE1 3.84Å; V624-F661 HydrophobicContact CG1-CB 4.42Å; V624-F661 HydrophobicContact CG1-CD1 3.41Å; V624-F661 VanDerWaalsContact CG1-CD1 3.41Å; V624-F661 HydrophobicContact CG1-CE1 3.74Å; V624-F661 HydrophobicContact CG1-CG 3.92Å; V624-F661 HydrophobicContact CG1-CZ 4.49Å; V624-F661 HydrophobicContact CG2-CE1 4.12Å; F627-F661 AromaticContact CD1-CE1 3.97Å; F627-F661 HydrophobicContact CD1-CE1 3.97Å; F627-F661 HydrophobicContact CE1-CE1 4.21Å; F627-F661 HydrophobicContact CG-CE1 4.3Å; C651-F661 CarbonylContact O-C 3.6Å; C651-F661 WeakPolarHBondContact O-CA 3.46Å; V652-F661 HydrophobicContact CG1-CD1 3.35Å; V652-F661 HydrophobicContact CG1-CE1 3.41Å; V652-F661 VanDerWaalsContact CG1-CE1 3.41Å; V652-F661 HydrophobicContact CG1-CG 4.02Å; V652-F661 HydrophobicContact CG1-CZ 4.11Å; P658-F661 HydrophobicContact CB-CE1 4.09Å; P658-F661 HydrophobicContact CB-CE2 3.87Å; P658-F661 HydrophobicContact CB-CZ 3.46Å; P658-F661 VanDerWaalsContact CB-CZ 3.46Å; P658-F661 HydrophobicContact CG-CE1 4.42Å; P658-F661 HydrophobicContact CG-CE2 4.3Å; P658-F661 HydrophobicContact CG-CZ 3.64Å
662V95.7Very high94.7Very high0 Ų030.1 Ų30.10%017%0.169CC..EExtended strand (participates in β ladder)trans-117119.9176.8-172.30000108.9S595 Y596 C651 F664S595-V662 WeakPolarHBondContact O-CA 3.37Å; Y596-V662 HydrophobicContact CD1-CG2 3.79Å; Y596-V662 HydrophobicContact CD2-CG1 4.33Å; Y596-V662 HydrophobicContact CD2-CG2 4.31Å; Y596-V662 HydrophobicContact CE1-CG2 3.4Å; Y596-V662 VanDerWaalsContact CE1-CG2 3.4Å; Y596-V662 HydrophobicContact CE2-CG1 3.9Å; Y596-V662 HydrophobicContact CE2-CG2 3.95Å; Y596-V662 HydrophobicContact CG-CG2 4.21Å; Y596-V662 VanDerWaalsContact CZ-CG2 3.46Å; C651-V662 HydrophobicContact CB-CB 4.22Å; C651-V662 PolarHBondContact N-O 3.49Å; C651-V662 VanDerWaalsContact N-O 3.11Å; C651-V662 PolarHBondContact O-N 3.23Å; V662-F664 HydrophobicContact CB-CE2 4.37Å; V662-F664 HydrophobicContact CB-CZ 4.47Å; V662-F664 HydrophobicContact CG1-CE1 4.27Å; V662-F664 HydrophobicContact CG1-CE2 4.05Å; V662-F664 HydrophobicContact CG1-CZ 3.86Å
663I95.9Very high94.7Very high3 Ų330.7 Ų30.72%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-111.4129.4-177.5-52.9-61.1000109.4G594 S595 F597 V622 E665 Q668 V669G594-I663 CarbonylContact C-O 3.57Å; G594-I663 VanDerWaalsContact CA-O 3.3Å; G594-I663 WeakPolarHBondContact CA-O 3.47Å; S595-I663 PolarHBondContact N-O 3.23Å; S595-I663 PolarHBondContact O-N 2.87Å; F597-I663 HydrophobicContact CD2-CB 4.5Å; F597-I663 HydrophobicContact CD2-CG1 3.84Å; F597-I663 HydrophobicContact CE2-CB 4.21Å; F597-I663 HydrophobicContact CE2-CG1 3.96Å; V622-I663 HydrophobicContact CG1-CD1 3.48Å; V622-I663 VanDerWaalsContact CG1-CD1 3.48Å; V622-I663 HydrophobicContact CG1-CG1 3.53Å; I663-E665 VanDerWaalsContact CG2-O 3.25Å; I663-E665 WeakPolarHBondContact CG2-O 3.15Å; I663-Q668 HydrophobicContact CG2-CB 3.68Å; I663-Q668 HydrophobicContact CG2-CG 4.42Å; I663-V669 HydrophobicContact CB-CG2 4.21Å; I663-V669 HydrophobicContact CG1-CG2 4.26Å; I663-V669 HydrophobicContact CG2-CG2 3.82Å
664F91.3Very high94.9Very high32 Ų3229.8 Ų29.814%0.1417%0.166CC..SBendtrans-103.4-27.1-175.2-57.8-96.1000112.3K593 F634 V635 P637 C651 V662K593-F664 WeakPolarHBondContact O-CD1 3.14Å; F634-F664 HydrophobicContact CB-CE1 4.33Å; F634-F664 HydrophobicContact CB-CZ 4.18Å; V635-F664 VanDerWaalsContact C-CD1 3.49Å; V635-F664 WeakPolarHBondContact O-CD1 3.44Å; P637-F664 VanDerWaalsContact CD-CD2 3.45Å; P637-F664 HydrophobicContact CG-CD2 3.62Å; P637-F664 HydrophobicContact CG-CE2 3.96Å; P637-F664 HydrophobicContact CG-CG 4.49Å; C651-F664 HydrophobicContact CB-CE2 3.93Å; C651-F664 HydrophobicContact CB-CZ 4.25Å; V662-F664 HydrophobicContact CB-CE2 4.37Å; V662-F664 HydrophobicContact CB-CZ 4.47Å; V662-F664 HydrophobicContact CG1-CE1 4.27Å; V662-F664 HydrophobicContact CG1-CE2 4.05Å; V662-F664 HydrophobicContact CG1-CZ 3.86Å
665E88.8Confident95Very high69 Ų6928.2 Ų28.232%0.32216%0.155SC..SBendtrans-101.6118.9174.9175.653.4-101.100110I663 H667 Q668I663-E665 VanDerWaalsContact CG2-O 3.25Å; I663-E665 WeakPolarHBondContact CG2-O 3.15Å; E665-H667 HydrophobicContact CG-CB 4.29Å; E665-H667 PolarHBondContact O-N 3.04Å; E665-H667 IonicContact OE1-CG 2.95Å; E665-H667 PolarHBondContact OE1-N 3.22Å; E665-H667 IonicContact OE1-ND1 3.06Å; E665-Q668 HydrophobicContact CB-CG 4.22Å; E665-Q668 HydrophobicContact CG-CG 4.42Å; E665-Q668 WeakPolarHBondContact O-CB 3.46Å; E665-Q668 PolarHBondContact O-N 3.32Å; E665-Q668 VanDerWaalsContact O-N 3.08Å
666K87.4Confident95.1Very high102 Ų10227 Ų2744%0.44314%0.144SC..G310 helixtrans-64.8-27-174.764175-173.6167.60112.8N578 Q668 V669N578-K666 PolarHBondContact ND2-O 2.98Å; N578-K666 VanDerWaalsContact ND2-O 3.16Å; K666-Q668 PolarHBondContact O-N 2.86Å; K666-V669 PolarHBondContact O-N 3.25Å; K666-V669 VanDerWaalsContact O-N 3.16Å
667H88.3Confident95.1Very high23 Ų2321.4 Ų21.411%0.10611%0.105CC..G310 helixtrans-71.1-10.2177.6-55.9149.8000113.2H370 V540 Y541 Q544 E665 V669H370-H667 AromaticContact CE1-CE1 3.95Å; H370-H667 AromaticContact CE1-ND1 3.88Å; H370-H667 AromaticContact NE2-CE1 3.51Å; H370-H667 AromaticContact NE2-ND1 3.89Å; V540-H667 HydrophobicContact CG2-CB 4.06Å; V540-H667 VanDerWaalsContact CG2-CD2 3.5Å; V540-H667 WeakPolarHBondContact CG2-CD2 3.47Å; V540-H667 VanDerWaalsContact CG2-CG 3.47Å; Y541-H667 WeakPolarHBondContact CA-O 3.29Å; Q544-H667 HydrophobicContact CB-CB 4.04Å; Q544-H667 WeakPolarHBondContact CB-O 3.49Å; Q544-H667 HydrophobicContact CG-CB 4.24Å; E665-H667 HydrophobicContact CG-CB 4.29Å; E665-H667 PolarHBondContact O-N 3.04Å; E665-H667 IonicContact OE1-CG 2.95Å; E665-H667 PolarHBondContact OE1-N 3.22Å; E665-H667 IonicContact OE1-ND1 3.06Å; H667-V669 PolarHBondContact O-N 2.88Å
668Q95.9Very high95Very high9 Ų917.3 Ų17.34%0.0428%0.084CC..G310 helixtrans-75.9-1.1170.3-67.6177.9-91.700113Q544 M548 V622 L623 D649 I663 E665 K666Q544-Q668 HydrophobicContact CG-CG 3.93Å; M548-Q668 HydrophobicContact SD-CG 4.1Å; V622-Q668 CarbonylContact C-O 3.57Å; V622-Q668 WeakPolarHBondContact CA-O 2.94Å; L623-Q668 HydrophobicContact CB-CB 4.12Å; L623-Q668 HydrophobicContact CB-CG 4.41Å; L623-Q668 PolarHBondContact N-O 2.89Å; L623-Q668 PolarHBondContact O-NE2 3.11Å; D649-Q668 PolarHBondContact O-NE2 3.36Å; D649-Q668 PolarHBondContact O-OE1 3.01Å; I663-Q668 HydrophobicContact CG2-CB 3.68Å; I663-Q668 HydrophobicContact CG2-CG 4.42Å; E665-Q668 HydrophobicContact CB-CG 4.22Å; E665-Q668 HydrophobicContact CG-CG 4.42Å; E665-Q668 WeakPolarHBondContact O-CB 3.46Å; E665-Q668 PolarHBondContact O-N 3.32Å; E665-Q668 VanDerWaalsContact O-N 3.08Å; K666-Q668 PolarHBondContact O-N 2.86Å
669V97.3Very high94.4Very high2 Ų219.9 Ų19.91%0.01210%0.099CC..EExtended strand (participates in β ladder)trans-128141.1-174.9-170.50000111.5N578 F579 F597 A620 R621 V622 I663 K666 H667N578-V669 PolarHBondContact ND2-O 3.41Å; F579-V669 HydrophobicContact CD2-CB 4.12Å; F579-V669 HydrophobicContact CD2-CG1 3.38Å; F579-V669 HydrophobicContact CE2-CG1 3.39Å; F597-V669 HydrophobicContact CE1-CG1 3.89Å; F597-V669 HydrophobicContact CE2-CG1 4.4Å; F597-V669 HydrophobicContact CE2-CG2 3.8Å; F597-V669 HydrophobicContact CZ-CB 4.29Å; F597-V669 HydrophobicContact CZ-CG1 3.6Å; F597-V669 HydrophobicContact CZ-CG2 3.8Å; A620-V669 HydrophobicContact CB-CG1 3.87Å; R621-V669 CarbonylContact O-C 3.52Å; R621-V669 WeakPolarHBondContact O-CA 3.46Å; V622-V669 HydrophobicContact CG1-CG2 4.35Å; V622-V669 HydrophobicContact CG2-CG1 4.17Å; V622-V669 HydrophobicContact CG2-CG2 4.47Å; I663-V669 HydrophobicContact CB-CG2 4.21Å; I663-V669 HydrophobicContact CG1-CG2 4.26Å; I663-V669 HydrophobicContact CG2-CG2 3.82Å; K666-V669 PolarHBondContact O-N 3.25Å; K666-V669 VanDerWaalsContact O-N 3.16Å; H667-V669 PolarHBondContact O-N 2.88Å
670Y97.2Very high93.3Very high0 Ų020.7 Ų20.70%011%0.105CC..EExtended strand (participates in β ladder)trans-126.8123.4166.6-177.2-101.5000110.5W488 V532 N534 L537 W538 A620 R621 E672W488-Y670 VanDerWaalsContact CH2-OH 3.24Å; W488-Y670 WeakPolarHBondContact CH2-OH 3.5Å; W488-Y670 HydrophobicContact CZ2-CE1 4.1Å; W488-Y670 AromaticContact CZ2-CZ 3.71Å; W488-Y670 WeakPolarHBondContact CZ2-OH 3.14Å; V532-Y670 PolarHBondContact O-OH 3.35Å; N534-Y670 HydrophobicContact CB-CE2 4.46Å; N534-Y670 PolarHBondContact N-OH 3.18Å; L537-Y670 HydrophobicContact CB-CD2 3.98Å; L537-Y670 HydrophobicContact CB-CE2 3.94Å; W538-Y670 HydrophobicContact CB-CD2 4.32Å; W538-Y670 HydrophobicContact CB-CE2 3.86Å; W538-Y670 AromaticContact CE3-CD1 3.67Å; W538-Y670 HydrophobicContact CE3-CD1 3.67Å; W538-Y670 AromaticContact CE3-CD2 3.93Å; W538-Y670 HydrophobicContact CE3-CD2 3.93Å; W538-Y670 AromaticContact CE3-CE1 3.76Å; W538-Y670 HydrophobicContact CE3-CE1 3.76Å; W538-Y670 HydrophobicContact CE3-CE2 4.01Å; W538-Y670 AromaticContact CE3-CG 3.77Å; W538-Y670 HydrophobicContact CE3-CG 3.77Å; W538-Y670 AromaticContact CE3-CZ 3.95Å; W538-Y670 AromaticContact CZ3-CD1 3.8Å; W538-Y670 HydrophobicContact CZ3-CD1 3.8Å; W538-Y670 HydrophobicContact CZ3-CE1 4.11Å; W538-Y670 HydrophobicContact CZ3-CG 4.17Å; A620-Y670 CarbonylContact C-O 3.58Å; A620-Y670 VanDerWaalsContact CA-O 3.31Å; A620-Y670 WeakPolarHBondContact CA-O 3.23Å; A620-Y670 WeakPolarHBondContact CB-O 3.31Å; R621-Y670 PolarHBondContact N-O 3.02Å; R621-Y670 PolarHBondContact O-N 2.89Å; Y670-E672 VanDerWaalsContact C-N 3.29Å; Y670-E672 HydrophobicContact CD1-CB 3.89Å; Y670-E672 HydrophobicContact CD1-CG 4.29Å; Y670-E672 HydrophobicContact CE1-CB 4.16Å; Y670-E672 HydrophobicContact CE1-CG 4.27Å; Y670-E672 PolarHBondContact O-N 3.07Å
671P96.8Very high91.5Very high0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-75.875.3-179.931.3-34.7000111.2V532 L537 I574 F579 F618V532-P671 WeakPolarHBondContact CB-O 3.43Å; V532-P671 VanDerWaalsContact CG2-O 3.24Å; V532-P671 WeakPolarHBondContact CG2-O 3.41Å; L537-P671 HydrophobicContact CD1-CG 4.31Å; I574-P671 HydrophobicContact CG2-CB 3.93Å; I574-P671 HydrophobicContact CG2-CG 4.37Å; F579-P671 HydrophobicContact CE2-CB 3.67Å; F579-P671 HydrophobicContact CE2-CG 4.45Å; F579-P671 HydrophobicContact CZ-CB 3.81Å; F618-P671 HydrophobicContact CD1-CB 3.8Å; F618-P671 HydrophobicContact CE1-CB 3.86Å
672E97.3Very high89.2Confident0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-66.3-48.4-167.4-164.8-177.3-158.900114.5Y487 V532 Q561 R621 Y670Y487-E672 PolarHBondContact OH-OE1 2.78Å; V532-E672 PolarHBondContact N-O 2.93Å; Q561-E672 PolarHBondContact NE2-OE2 2.9Å; R621-E672 HydrophobicContact CG-CB 4.23Å; R621-E672 HydrophobicContact CG-CG 4.47Å; R621-E672 WeakPolarHBondContact CG-OE2 3.18Å; R621-E672 IonicContact CZ-OE1 3.95Å; R621-E672 VanDerWaalsContact CZ-OE1 3.25Å; R621-E672 IonicContact CZ-OE2 3.56Å; R621-E672 IonicContact NE-OE1 3.84Å; R621-E672 PolarHBondContact NE-OE1 2.87Å; R621-E672 IonicContact NE-OE2 2.71Å; R621-E672 PolarHBondContact NE-OE2 3.19Å; R621-E672 VanDerWaalsContact NE-OE2 3.09Å; R621-E672 IonicContact NH2-OE1 3.3Å; R621-E672 PolarHBondContact NH2-OE1 3.5Å; R621-E672 IonicContact NH2-OE2 3.37Å; Y670-E672 VanDerWaalsContact C-N 3.29Å; Y670-E672 HydrophobicContact CD1-CB 3.89Å; Y670-E672 HydrophobicContact CD1-CG 4.29Å; Y670-E672 HydrophobicContact CE1-CB 4.16Å; Y670-E672 HydrophobicContact CE1-CG 4.27Å; Y670-E672 PolarHBondContact O-N 3.07Å
673Y98.3Very high87Confident12 Ų1237 Ų375%0.04720%0.2CC..EExtended strand (participates in β ladder)trans-129.3144.9-179.7-54-81.4000112.3L503 E509 V513 I529 E530 R531 F618 L619L503-Y673 HydrophobicContact CD1-CD1 4.04Å; L503-Y673 HydrophobicContact CD1-CE1 3.9Å; E509-Y673 HydrophobicContact CG-CE1 4.04Å; E509-Y673 PolarHBondContact OE1-OH 3.28Å; V513-Y673 HydrophobicContact CG1-CG 4.41Å; V513-Y673 HydrophobicContact CG2-CD1 4.02Å; V513-Y673 HydrophobicContact CG2-CD2 3.64Å; V513-Y673 HydrophobicContact CG2-CE1 4.06Å; V513-Y673 HydrophobicContact CG2-CE2 3.67Å; V513-Y673 HydrophobicContact CG2-CG 3.83Å; I529-Y673 HydrophobicContact CG2-CD1 4.26Å; E530-Y673 CarbonylContact O-C 3.51Å; E530-Y673 WeakPolarHBondContact O-CA 3.39Å; R531-Y673 HydrophobicContact CB-CD1 3.93Å; R531-Y673 HydrophobicContact CB-CE1 3.92Å; R531-Y673 HydrophobicContact CG-CD1 4.13Å; R531-Y673 HydrophobicContact CG-CE1 3.79Å; F618-Y673 CarbonylContact C-O 3.49Å; F618-Y673 VanDerWaalsContact CA-O 3.25Å; F618-Y673 WeakPolarHBondContact CA-O 3.37Å; F618-Y673 WeakPolarHBondContact CD1-O 3.47Å; L619-Y673 HydrophobicContact CB-CD2 4.48Å; L619-Y673 HydrophobicContact CD2-CD2 4.19Å; L619-Y673 PolarHBondContact N-O 2.84Å; L619-Y673 PolarHBondContact O-N 2.81Å
674L97.9Very high84.1Confident5 Ų541.8 Ų41.83%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-109.3122.4170-17471.5000109.2K500 I529 E530 V571 T616 F618K500-L674 HydrophobicContact CD-CD2 4.26Å; I529-L674 WeakPolarHBondContact CA-O 3.38Å; E530-L674 HydrophobicContact CB-CB 4.3Å; E530-L674 PolarHBondContact N-O 2.9Å; E530-L674 PolarHBondContact O-N 3.17Å; V571-L674 HydrophobicContact CG1-CD1 3.97Å; V571-L674 HydrophobicContact CG1-CD2 3.42Å; V571-L674 VanDerWaalsContact CG1-CD2 3.42Å; V571-L674 HydrophobicContact CG1-CG 4.35Å; V571-L674 HydrophobicContact CG2-CD1 4.09Å; T616-L674 HydrophobicContact CG2-CD1 3.26Å; T616-L674 HydrophobicContact CG2-CD2 4.29Å; T616-L674 HydrophobicContact CG2-CG 3.8Å; F618-L674 HydrophobicContact CD1-CD1 4.05Å; F618-L674 HydrophobicContact CD2-CD1 4.06Å; F618-L674 HydrophobicContact CE1-CB 4.37Å; F618-L674 HydrophobicContact CE1-CD1 3.76Å; F618-L674 HydrophobicContact CE2-CD1 3.75Å; F618-L674 HydrophobicContact CG-CD1 4.21Å; F618-L674 HydrophobicContact CZ-CD1 3.61Å
675I97.9Very high81.8Confident0 Ų046.3 Ų46.30%026%0.263CS..EExtended strand (participates in β ladder)trans-109.1120.8-179.8-53.3171.8000108.1V513 F517 V526 I529 F563 T616 M617 L619 Y677V513-I675 HydrophobicContact CG1-CD1 3.67Å; V513-I675 HydrophobicContact CG1-CG1 3.96Å; F517-I675 HydrophobicContact CB-CD1 4.28Å; F517-I675 HydrophobicContact CD2-CD1 4.13Å; F517-I675 HydrophobicContact CD2-CG2 4.09Å; F517-I675 HydrophobicContact CE2-CG2 4.24Å; V526-I675 HydrophobicContact CG1-CG2 4.04Å; V526-I675 HydrophobicContact CG2-CG2 4.33Å; I529-I675 HydrophobicContact CG1-CG1 4.46Å; I529-I675 HydrophobicContact CG1-CG2 4.44Å; F563-I675 HydrophobicContact CE1-CD1 3.94Å; T616-I675 WeakPolarHBondContact CA-O 3.33Å; M617-I675 HydrophobicContact CG-CB 4.22Å; M617-I675 PolarHBondContact N-O 2.84Å; M617-I675 PolarHBondContact O-N 3.42Å; L619-I675 HydrophobicContact CB-CD1 4.29Å; I675-Y677 HydrophobicContact CG2-CD1 4.28Å
676Q96.2Very high79Confident50 Ų5048.4 Ų48.423%0.23428%0.28CS..EExtended strand (participates in β ladder)trans-107.1127.7172.3-171.9179-3000109.3Q527 K528 T614 H615Q527-Q676 PolarHBondContact N-O 2.86Å; K528-Q676 HydrophobicContact CG-CB 3.89Å; K528-Q676 PolarHBondContact N-O 3.28Å; K528-Q676 PolarHBondContact O-N 3.01Å; T614-Q676 HydrophobicContact CG2-CG 3.61Å; T614-Q676 VanDerWaalsContact CG2-NE2 3.27Å; H615-Q676 WeakPolarHBondContact O-CA 3.39Å
677Y95.4Very high76.6Confident0 Ų048.4 Ų48.40%029%0.291CS..EExtended strand (participates in β ladder)trans-146.5163.1-172.364.4-81.6000111.9F517 Y524 F525 H605 S608 H615 M617 I675F517-Y677 AromaticContact CE2-CD1 3.76Å; F517-Y677 HydrophobicContact CE2-CD1 3.76Å; F517-Y677 HydrophobicContact CE2-CD2 4.24Å; F517-Y677 AromaticContact CE2-CE1 3.96Å; F517-Y677 HydrophobicContact CE2-CE1 3.96Å; F517-Y677 HydrophobicContact CE2-CE2 4.37Å; F517-Y677 AromaticContact CE2-CG 3.93Å; F517-Y677 HydrophobicContact CE2-CG 3.93Å; F517-Y677 AromaticContact CZ-CD1 3.92Å; F517-Y677 HydrophobicContact CZ-CD1 3.92Å; F517-Y677 AromaticContact CZ-CD2 3.66Å; F517-Y677 HydrophobicContact CZ-CD2 3.66Å; F517-Y677 HydrophobicContact CZ-CE1 4.35Å; F517-Y677 HydrophobicContact CZ-CE2 4.08Å; F517-Y677 AromaticContact CZ-CG 3.57Å; F517-Y677 HydrophobicContact CZ-CG 3.57Å; Y524-Y677 AromaticContact CD1-CD2 3.66Å; Y524-Y677 HydrophobicContact CD1-CD2 3.66Å; Y524-Y677 AromaticContact CD1-CE2 3.77Å; Y524-Y677 HydrophobicContact CD1-CE2 3.77Å; Y524-Y677 HydrophobicContact CE1-CE2 4.22Å; Y524-Y677 HydrophobicContact CG-CD2 4.06Å; Y524-Y677 HydrophobicContact CG-CE2 4.31Å; F525-Y677 CarbonylContact O-C 3.59Å; F525-Y677 WeakPolarHBondContact O-CA 3.43Å; F525-Y677 WeakPolarHBondContact O-CB 3.28Å; H605-Y677 AromaticContact ND1-CE2 3.55Å; H605-Y677 AromaticContact ND1-CZ 3.67Å; H605-Y677 PolarHBondContact ND1-OH 3.07Å; S608-Y677 VanDerWaalsContact CB-OH 3.28Å; S608-Y677 WeakPolarHBondContact CB-OH 3.48Å; S608-Y677 PolarHBondContact OG-OH 3.25Å; H615-Y677 HydrophobicContact CB-CD1 4.21Å; H615-Y677 HydrophobicContact CB-CD2 4.08Å; H615-Y677 HydrophobicContact CB-CE1 3.66Å; H615-Y677 HydrophobicContact CB-CE2 3.58Å; H615-Y677 HydrophobicContact CB-CG 4.39Å; H615-Y677 PolarHBondContact N-O 3.45Å; H615-Y677 PolarHBondContact O-N 2.88Å; M617-Y677 HydrophobicContact CB-CE1 4.39Å; M617-Y677 HydrophobicContact CE-CE1 3.56Å; M617-Y677 HydrophobicContact CE-CE2 4.5Å; M617-Y677 VanDerWaalsContact CE-CZ 3.48Å; M617-Y677 WeakPolarHBondContact CE-OH 3.35Å; M617-Y677 HydrophobicContact CG-CE1 3.89Å; M617-Y677 HydrophobicContact SD-CE1 4.39Å; I675-Y677 HydrophobicContact CG2-CD1 4.28Å
678T93.4Very high74.1Confident4 Ų452.8 Ų52.83%0.02532%0.324CS..EExtended strand (participates in β ladder)trans-134.2153.8-177.5179.40000112.5F525 Q527 Q613 S680F525-T678 HydrophobicContact CB-CG2 3.93Å; F525-T678 HydrophobicContact CD1-CG2 3.99Å; F525-T678 HydrophobicContact CG-CG2 4.47Å; F525-T678 PolarHBondContact N-O 3.19Å; F525-T678 PolarHBondContact O-N 3.25Å; Q527-T678 HydrophobicContact CG-CG2 4.07Å; Q613-T678 VanDerWaalsContact O-CA 3.25Å; Q613-T678 WeakPolarHBondContact O-CA 3.36Å; Q613-T678 WeakPolarHBondContact O-CB 3.46Å; Q613-T678 PolarHBondContact O-OG1 3.26Å; Q613-T678 VanDerWaalsContact O-OG1 3.12Å; T678-S680 VanDerWaalsContact C-N 3.31Å; T678-S680 VanDerWaalsContact CG2-OG 3.31Å; T678-S680 WeakPolarHBondContact CG2-OG 3.37Å; T678-S680 PolarHBondContact OG1-N 2.84Å; T678-S680 PolarHBondContact OG1-OG 3Å
679T82.9Confident71.4Confident66 Ų6658.8 Ų58.841%0.40536%0.355SS..SBendtrans-76.6-13.8171.3520000113.4Y524 Q613Y524-T679 HydrophobicContact CD1-CG2 3.96Å; Y524-T679 HydrophobicContact CE1-CG2 3.38Å; Q613-T679 PolarHBondContact O-N 2.81Å
680S71.9Confident68.5Low46 Ų4666.8 Ų66.832%0.32240%0.397SS..SBendtrans-81.6138.7-179.963.40000112T678T678-S680 VanDerWaalsContact C-N 3.31Å; T678-S680 VanDerWaalsContact CG2-OG 3.31Å; T678-S680 WeakPolarHBondContact CG2-OG 3.37Å; T678-S680 PolarHBondContact OG1-N 2.84Å; T678-S680 PolarHBondContact OG1-OG 3Å
681S57.3Low65.6Low111 Ų11173.5 Ų73.578%0.77643%0.432SS*.  trans-58.2145.7172.654.10000111.7
682K50.3Low62.7Low145 Ų14577.9 Ų77.963%0.6347%0.468SS*.  trans-40.3127.1177.6-167.7176.1-173.9-178.60110.6F525 S684F525-K682 HydrophobicContact CD2-CB 4.04Å; F525-K682 HydrophobicContact CD2-CG 4.12Å; F525-K682 HydrophobicContact CE2-CB 4.13Å; F525-K682 HydrophobicContact CE2-CD 4.01Å; F525-K682 HydrophobicContact CE2-CG 3.68Å; F525-K682 HydrophobicContact CZ-CG 4.15Å; K682-S684 PolarHBondContact O-N 3.42Å
683P49.3Very low59.8Low99 Ų9985.9 Ų85.964%0.64351%0.51SS*.  trans-57127.4173.220.8-28.9000108.6V685P683-V685 PolarHBondContact O-N 3.36Å
684S35.4Very low56.7Low103 Ų10388.2 Ų88.272%0.7254%0.538SS*.  trans-59.8119.5177.255.50000108.5K682 T686K682-S684 PolarHBondContact O-N 3.42Å; S684-T686 VanDerWaalsContact C-N 3.31Å; S684-T686 PolarHBondContact O-N 2.83Å
685V41.6Very low53.6Low127 Ų12793.3 Ų93.377%0.7757%0.574SS**  trans-67.197.7165.5-176.30000105.9P683 P687P683-V685 PolarHBondContact O-N 3.36Å; V685-P687 WeakPolarHBondContact O-CD 3.32Å
686T31.6Very low50.6Low112 Ų112100.5 Ų100.569%0.68761%0.612SS**  trans-63.3119162.225.10000107.1S684 S688S684-T686 VanDerWaalsContact C-N 3.31Å; S684-T686 PolarHBondContact O-N 2.83Å; T686-S688 PolarHBondContact O-N 2.82Å
687P36.3Very low47.7Very low103 Ų103107.3 Ų107.367%0.66964%0.641SS**  trans-66.8118.6170.727-28.5000107.2V685 I689V685-P687 WeakPolarHBondContact O-CD 3.32Å; P687-I689 VanDerWaalsContact C-N 3.31Å; P687-I689 PolarHBondContact O-N 3.46Å
688S36.6Very low44.7Very low115 Ų115112.7 Ų112.780%0.80468%0.678SS**  trans-62.997.6166.9-61.10000107.8T686 L690T686-S688 PolarHBondContact O-N 2.82Å; S688-L690 VanDerWaalsContact C-N 3.29Å; S688-L690 PolarHBondContact O-N 3.4Å
689I37.7Very low41.9Very low135 Ų135117.3 Ų117.369%0.69271%0.711SS**  trans-67.693.9163.9-63.2171.4000105.9P687 L691P687-I689 VanDerWaalsContact C-N 3.31Å; P687-I689 PolarHBondContact O-N 3.46Å; I689-L691 VanDerWaalsContact C-N 3.33Å; I689-L691 HydrophobicContact CG2-CB 4.44Å; I689-L691 HydrophobicContact CG2-CD1 3.9Å; I689-L691 HydrophobicContact CG2-CG 3.76Å; I689-L691 PolarHBondContact O-N 3.11Å
690L36.9Very low39.9Very low169 Ų169125.2 Ų125.289%0.88573%0.733SS**  trans-82.390.9155.7-90.5163.9000106.6S688 A692S688-L690 VanDerWaalsContact C-N 3.29Å; S688-L690 PolarHBondContact O-N 3.4Å; L690-A692 PolarHBondContact O-N 2.84Å
691L36.8Very low38.3Very low142 Ų142135.1 Ų135.174%0.74378%0.775SS**  trans-58115.2163.5-94.8147000108.3I689 L693I689-L691 VanDerWaalsContact C-N 3.33Å; I689-L691 HydrophobicContact CG2-CB 4.44Å; I689-L691 HydrophobicContact CG2-CD1 3.9Å; I689-L691 HydrophobicContact CG2-CG 3.76Å; I689-L691 PolarHBondContact O-N 3.11Å; L691-L693 PolarHBondContact O-N 2.86Å
692A35.2Very low37.3Very low91 Ų91136.4 Ų136.475%0.75277%0.774SS**  trans-64122.1158.900000108.6L690L690-A692 PolarHBondContact O-N 2.84Å
693L36.8Very low36.6Very low169 Ų169135.9 Ų135.989%0.88578%0.782SS**  trans-120.2102.8150.8-85.9168.2000106.8L691L691-L693 PolarHBondContact O-N 2.86Å
694G32.3Very low35.9Very low61 Ų61137.9 Ų137.963%0.62979%0.79SS**  trans-73.7150.5163.100000110.7
695S33.2Very low36Very low112 Ų112140 Ų14078%0.78379%0.794SS**  trans72.9110.5158.5-550000116.9
696L34.7Very low35.6Very low151 Ų151140.8 Ų140.879%0.79180%0.795SS**  177.215399.4-86.2159.4000110.1
697F36.8Very low35.9Very low192 Ų192142.7 Ų142.784%0.84280%0.803SS**  trans94.773.9174.3-52.2-70000117.9
698S32.4Very low35.8Very low113 Ų113145.6 Ų145.679%0.7981%0.812SS**  -55.3127.6129.4-172.40000109.9
699S34.3Very low35.8Very low101 Ų101147.9 Ų147.971%0.70681%0.813SS**  trans160.5125.3140.3-73.80000113.3
700R40.5Very low35.6Very low232 Ų232149 Ų14988%0.87582%0.823SS**  trans69.7132.6153.1-63.3175.7173.8-162.9-2.8116
701Q37.7Very low35.5Very low255 Ų255147.2 Ų147.2100%1.19282%0.817SS**  cis-158.5021.7-135.3173.28.300109.1

Retrieved 701 of 701 residues in 1766.7 ms (Link to these results)

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