A0A077ZKM1_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077ZKM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 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
1M51.7Low84.3Confident241 Ų24169.2 Ų69.2100%1.18734%0.335SS*.  0133.50-78.5178.8174.300107.9S3M1-S3 PolarHBondContact O-N 2.72Å
2N67.8Low84.8Confident140 Ų14068.7 Ų68.775%0.74933%0.33SS*.  trans-70.2110.8-174.4-155.2-1.1000109.5R4N2-R4 VanDerWaalsContact C-N 3.28Å
3S80.8Confident85.1Confident45 Ų4574.2 Ų74.232%0.31536%0.36SS..  trans-82-7-177.957.40000113M1 S26 L27M1-S3 PolarHBondContact O-N 2.72Å; S3-S26 CarbonylContact O-C 3.51Å; S3-S26 WeakPolarHBondContact O-CA 3.39Å; S3-L27 PolarHBondContact O-N 3.08Å
4R86.7Confident85.3Confident200 Ų20070.5 Ų70.576%0.75535%0.348SS*.EExtended strand (participates in β ladder)trans-81136.5-177.7-64.8-175.5-179.4-179.80.6111.6N2 A25N2-R4 VanDerWaalsContact C-N 3.28Å; R4-A25 CarbonylContact C-O 3.56Å; R4-A25 WeakPolarHBondContact CA-O 3.34Å
5I87.7Confident85.1Confident20 Ų2070 Ų7010%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-135158.617758.9169.8000110L7 A25 L27 L73 I77 Y88I5-L7 HydrophobicContact CD1-CD1 4.47Å; I5-L7 HydrophobicContact CD1-CD2 3.57Å; I5-L7 HydrophobicContact CD1-CG 3.96Å; I5-L7 HydrophobicContact CG1-CD2 4.33Å; I5-L7 HydrophobicContact CG1-CG 4.32Å; I5-A25 HydrophobicContact CG1-CB 4.07Å; I5-A25 PolarHBondContact N-O 3.42Å; I5-A25 PolarHBondContact O-N 2.96Å; I5-L27 HydrophobicContact CD1-CD2 3.87Å; I5-L27 HydrophobicContact CD1-CG 4.39Å; I5-L27 HydrophobicContact CG2-CD1 4.13Å; I5-L27 HydrophobicContact CG2-CD2 3.95Å; I5-L27 HydrophobicContact CG2-CG 3.79Å; I5-L73 HydrophobicContact CD1-CD1 4.49Å; I5-I77 HydrophobicContact CD1-CD1 3.37Å; I5-Y88 HydrophobicContact CB-CD2 4.45Å; I5-Y88 HydrophobicContact CD1-CD2 4.24Å; I5-Y88 HydrophobicContact CG2-CE2 4.21Å
6E89.8Confident85.2Confident63 Ų6377.6 Ų77.629%0.29439%0.388SS..EExtended strand (participates in β ladder)trans-98.9125.7168.3-166.1-173144.600109.1V22 F24 R87 Y88E6-V22 HydrophobicContact CG-CG1 3.62Å; E6-V22 VanDerWaalsContact OE1-CG1 3.23Å; E6-V22 WeakPolarHBondContact OE1-CG1 3.26Å; E6-F24 HydrophobicContact CG-CE1 4.49Å; E6-R87 HydrophobicContact CB-CG 4.48Å; E6-R87 HydrophobicContact CG-CG 4.31Å; E6-R87 WeakPolarHBondContact O-CA 3.35Å; E6-R87 WeakPolarHBondContact OE1-CD 3.45Å; E6-R87 IonicContact OE1-CZ 3.51Å; E6-R87 IonicContact OE1-NE 3.94Å; E6-R87 PolarHBondContact OE1-NE 3.33Å; E6-Y88 PolarHBondContact O-N 3.47Å; E6-Y88 VanDerWaalsContact O-N 3.1Å
7L90.6Very high85.4Confident0 Ų079.7 Ų79.70%041%0.406CS..EExtended strand (participates in β ladder)trans-110.9131.1176.2-67.5-174.7000110.3I5 V22 L23 A25 L34 L73 I77 Y88 F90I5-L7 HydrophobicContact CD1-CD1 4.47Å; I5-L7 HydrophobicContact CD1-CD2 3.57Å; I5-L7 HydrophobicContact CD1-CG 3.96Å; I5-L7 HydrophobicContact CG1-CD2 4.33Å; I5-L7 HydrophobicContact CG1-CG 4.32Å; L7-V22 CarbonylContact O-C 3.43Å; L7-V22 WeakPolarHBondContact O-CA 3.16Å; L7-L23 PolarHBondContact N-O 3.38Å; L7-L23 PolarHBondContact O-N 3.03Å; L7-A25 HydrophobicContact CD1-CB 3.58Å; L7-A25 HydrophobicContact CG-CB 3.9Å; L7-L34 HydrophobicContact CD1-CD1 3.86Å; L7-L73 HydrophobicContact CD1-CD1 3.73Å; L7-L73 HydrophobicContact CD1-CD2 4.5Å; L7-I77 HydrophobicContact CD2-CD1 4.36Å; L7-Y88 WeakPolarHBondContact CA-O 3.26Å; L7-F90 HydrophobicContact CD2-CD2 4.03Å; L7-F90 HydrophobicContact CD2-CE2 3.83Å
8E92Very high85.6Confident23 Ų2378.4 Ų78.411%0.10740%0.399CS..EExtended strand (participates in β ladder)trans-101.2120.9165.8-176.817462.200109.2P20 I21 R87 Y88 R89 F90E8-P20 HydrophobicContact CG-CB 3.53Å; E8-P20 HydrophobicContact CG-CG 4.33Å; E8-I21 CarbonylContact C-O 3.57Å; E8-I21 WeakPolarHBondContact CA-O 3.49Å; E8-R87 HydrophobicContact CB-CG 4.37Å; E8-R87 VanDerWaalsContact CD-CZ 3.48Å; E8-R87 VanDerWaalsContact CD-NH1 3.34Å; E8-R87 VanDerWaalsContact CD-NH2 3.3Å; E8-R87 IonicContact OE1-NH1 3.58Å; E8-R87 IonicContact OE2-CZ 3.72Å; E8-R87 IonicContact OE2-NH1 3.69Å; E8-R87 PolarHBondContact OE2-NH1 2.93Å; E8-R87 IonicContact OE2-NH2 3.02Å; E8-R87 PolarHBondContact OE2-NH2 3.02Å; E8-Y88 PolarHBondContact N-O 3.28Å; E8-R89 HydrophobicContact CB-CG 4.24Å; E8-R89 WeakPolarHBondContact O-CA 3.47Å; E8-R89 WeakPolarHBondContact OE1-CD 3.41Å; E8-R89 WeakPolarHBondContact OE1-CG 3.39Å; E8-R89 IonicContact OE1-NE 2.82Å; E8-R89 PolarHBondContact OE1-NE 3.4Å; E8-F90 PolarHBondContact O-N 2.93Å
9L93.7Very high85.9Confident0 Ų079.8 Ų79.80%041%0.414CS..EExtended strand (participates in β ladder)trans-108.8118.3176.5-55.3-178.9000109.4P20 I21 L23 L34 T38 F51 F90 Y92L9-P20 CarbonylContact O-C 3.6Å; L9-P20 VanDerWaalsContact O-CA 3.32Å; L9-P20 WeakPolarHBondContact O-CA 3.31Å; L9-I21 HydrophobicContact CB-CB 4.27Å; L9-I21 PolarHBondContact N-O 2.88Å; L9-I21 PolarHBondContact O-N 3.07Å; L9-L23 HydrophobicContact CD1-CD1 3.59Å; L9-L23 HydrophobicContact CD1-CG 4.32Å; L9-L23 HydrophobicContact CG-CD1 4.46Å; L9-L34 HydrophobicContact CD1-CD1 4.24Å; L9-T38 HydrophobicContact CD1-CG2 3.86Å; L9-T38 WeakPolarHBondContact CD1-OG1 3.32Å; L9-F51 HydrophobicContact CD1-CE1 4.38Å; L9-F90 WeakPolarHBondContact CA-O 3.41Å; L9-F90 HydrophobicContact CD2-CB 3.69Å; L9-F90 HydrophobicContact CD2-CG 4.49Å; L9-Y92 HydrophobicContact CB-CD1 3.99Å; L9-Y92 HydrophobicContact CB-CE1 4.42Å
10T93.3Very high86.3Confident24 Ų2478.7 Ų78.715%0.14741%0.412CS..EExtended strand (participates in β ladder)trans-109.6137.1178.5-54.20000110.2K12 F90 L91 Y92T10-K12 PolarHBondContact O-N 2.7Å; T10-F90 PolarHBondContact N-O 3.3Å; T10-L91 HydrophobicContact CG2-CD2 4.49Å; T10-L91 CarbonylContact O-C 3.6Å; T10-L91 VanDerWaalsContact O-CA 3.26Å; T10-L91 WeakPolarHBondContact O-CA 3.35Å; T10-Y92 VanDerWaalsContact C-CD1 3.5Å; T10-Y92 VanDerWaalsContact O-CD1 3.31Å; T10-Y92 WeakPolarHBondContact O-CD1 3.46Å; T10-Y92 PolarHBondContact O-N 2.98Å
11D93.3Very high86.6Confident5 Ų576.1 Ų76.13%0.02740%0.398CS..EExtended strand (participates in β ladder)trans-66.3123.2173.2-167.2-57.1000109.2I13 A14 S15 Y92 R94D11-I13 VanDerWaalsContact C-N 3.26Å; D11-I13 PolarHBondContact O-N 3.36Å; D11-I13 PolarHBondContact OD1-N 3.32Å; D11-A14 HydrophobicContact CB-CB 4.21Å; D11-A14 PolarHBondContact OD1-N 3.08Å; D11-S15 WeakPolarHBondContact O-CA 3.5Å; D11-S15 VanDerWaalsContact O-CB 3.27Å; D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 3.5Å; D11-S15 VanDerWaalsContact O-N 3.16Å; D11-Y92 HydrophobicContact CB-CE1 3.99Å; D11-Y92 HydrophobicContact CB-CE2 4.21Å; D11-Y92 VanDerWaalsContact N-CE1 3.31Å; D11-R94 IonicContact OD2-CZ 3.06Å; D11-R94 IonicContact OD2-NH1 2.8Å; D11-R94 PolarHBondContact OD2-NH1 2.91Å
12K90.9Very high88.6Confident63 Ų6367.8 Ų67.827%0.27436%0.361SS..THydrogen-bonded Turntrans-66.4-27.6-175.5-172.6172.2175.1-175.90113T10 L91 Y92 Q93T10-K12 PolarHBondContact O-N 2.7Å; K12-L91 HydrophobicContact CB-CB 4.18Å; K12-L91 HydrophobicContact CD-CD1 4.43Å; K12-L91 HydrophobicContact CG-CB 4.48Å; K12-L91 HydrophobicContact CG-CD1 4.22Å; K12-Y92 WeakPolarHBondContact CB-O 3.36Å; K12-Y92 PolarHBondContact N-O 3Å; K12-Q93 HydrophobicContact CB-CB 4.22Å
13I88.3Confident89.8Confident140 Ų14061.9 Ų61.972%0.71833%0.329SS*.THydrogen-bonded Turntrans-100.5-39.8-176-60.3175.4000110.2D11D11-I13 VanDerWaalsContact C-N 3.26Å; D11-I13 PolarHBondContact O-N 3.36Å; D11-I13 PolarHBondContact OD1-N 3.32Å
14A87.2Confident90.3Very high23 Ų2367.5 Ų67.519%0.1935%0.348CS..THydrogen-bonded Turntrans-108.524.9-170.900000113.4D11 E16 T17 I18D11-A14 HydrophobicContact CB-CB 4.21Å; D11-A14 PolarHBondContact OD1-N 3.08Å; A14-E16 PolarHBondContact O-N 2.92Å; A14-T17 PolarHBondContact O-N 3.2Å; A14-T17 PolarHBondContact O-OG1 2.99Å; A14-T17 VanDerWaalsContact O-OG1 3.05Å; A14-I18 HydrophobicContact CB-CD1 3.68Å; A14-I18 HydrophobicContact CB-CG1 3.93Å; A14-I18 PolarHBondContact O-N 3.35Å
15S83.5Confident90.5Very high63 Ų6358.1 Ų58.144%0.44131%0.313SS..THydrogen-bonded Turntrans-54.9-28-174.255.60000115D11D11-S15 WeakPolarHBondContact O-CA 3.5Å; D11-S15 VanDerWaalsContact O-CB 3.27Å; D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 3.5Å; D11-S15 VanDerWaalsContact O-N 3.16Å
16E85.4Confident90.8Very high192 Ų19258.2 Ų58.290%0.89732%0.316SS*.THydrogen-bonded Turntrans-81.5-20.1178.8-63.6-176.7175.200113.3A14A14-E16 PolarHBondContact O-N 2.92Å
17T89Confident90.8Very high113 Ų11357 Ų5769%0.69331%0.311SS*.THydrogen-bonded Turntrans-112.5-23.8-172.459.30000113.4A14A14-T17 PolarHBondContact O-N 3.2Å; A14-T17 PolarHBondContact O-OG1 2.99Å; A14-T17 VanDerWaalsContact O-OG1 3.05Å
18I89Confident91Very high57 Ų5762.4 Ų62.429%0.29234%0.336SS..SBendtrans-114.8119.9-178.7-57.5-178.5000108.4A14A14-I18 HydrophobicContact CB-CD1 3.68Å; A14-I18 HydrophobicContact CB-CG1 3.93Å; A14-I18 PolarHBondContact O-N 3.35Å
19P92.1Very high91.1Very high104 Ų10463.9 Ų63.968%0.67534%0.341SS*.PPolyproline II helixtrans-64.3150.6177.927-33.9000111.1
20P92.5Very high91.1Very high57 Ų5765.4 Ų65.437%0.3735%0.35SS..PPolyproline II helixtrans-61.4142.8177-22.232.8000112.6E8 L9E8-P20 HydrophobicContact CG-CB 3.53Å; E8-P20 HydrophobicContact CG-CG 4.33Å; L9-P20 CarbonylContact O-C 3.6Å; L9-P20 VanDerWaalsContact O-CA 3.32Å; L9-P20 WeakPolarHBondContact O-CA 3.31Å
21I93.9Very high91.2Very high26 Ų2664.3 Ų64.313%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-86.6132.9173.1-56.5164.5000107.9E8 L9 L23 E41 I42 Y92E8-I21 CarbonylContact C-O 3.57Å; E8-I21 WeakPolarHBondContact CA-O 3.49Å; L9-I21 HydrophobicContact CB-CB 4.27Å; L9-I21 PolarHBondContact N-O 2.88Å; L9-I21 PolarHBondContact O-N 3.07Å; I21-L23 HydrophobicContact CG2-CD2 3.83Å; I21-L23 HydrophobicContact CG2-CG 4.03Å; I21-E41 HydrophobicContact CD1-CB 4.1Å; I21-E41 HydrophobicContact CG2-CB 4.25Å; I21-E41 HydrophobicContact CG2-CG 4.03Å; I21-I42 HydrophobicContact CD1-CG2 3.37Å; I21-Y92 HydrophobicContact CD1-CE1 4.16Å
22V93.3Very high91.2Very high65 Ų6565 Ų6539%0.39435%0.35SS..EExtended strand (participates in β ladder)trans-110.2118.8177.4-169.70000109.7E6 L7E6-V22 HydrophobicContact CG-CG1 3.62Å; E6-V22 VanDerWaalsContact OE1-CG1 3.23Å; E6-V22 WeakPolarHBondContact OE1-CG1 3.26Å; L7-V22 CarbonylContact O-C 3.43Å; L7-V22 WeakPolarHBondContact O-CA 3.16Å
23L92.8Very high91.4Very high16 Ų1665.3 Ų65.38%0.08435%0.354CS..EExtended strand (participates in β ladder)trans-117.3135.8-179.3-59.4-179.2000110.9L7 L9 I21 A25 L34 K37 E41L7-L23 PolarHBondContact N-O 3.38Å; L7-L23 PolarHBondContact O-N 3.03Å; L9-L23 HydrophobicContact CD1-CD1 3.59Å; L9-L23 HydrophobicContact CD1-CG 4.32Å; L9-L23 HydrophobicContact CG-CD1 4.46Å; I21-L23 HydrophobicContact CG2-CD2 3.83Å; I21-L23 HydrophobicContact CG2-CG 4.03Å; L23-A25 PolarHBondContact O-N 2.97Å; L23-L34 HydrophobicContact CD1-CD1 4.14Å; L23-K37 HydrophobicContact CD1-CB 4.25Å; L23-E41 HydrophobicContact CD2-CG 4.15Å
24F91.3Very high91.7Very high164 Ų16458.7 Ų58.772%0.71932%0.321SS*.EExtended strand (participates in β ladder)trans-84.7100.6163.1-66.7-78.4000108.8E6E6-F24 HydrophobicContact CG-CE1 4.49Å
25A92Very high92.1Very high2 Ų257.7 Ų57.72%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-103.7163.2-175.700000111.9R4 I5 L7 L23 W29 L73R4-A25 CarbonylContact C-O 3.56Å; R4-A25 WeakPolarHBondContact CA-O 3.34Å; I5-A25 HydrophobicContact CG1-CB 4.07Å; I5-A25 PolarHBondContact N-O 3.42Å; I5-A25 PolarHBondContact O-N 2.96Å; L7-A25 HydrophobicContact CD1-CB 3.58Å; L7-A25 HydrophobicContact CG-CB 3.9Å; L23-A25 PolarHBondContact O-N 2.97Å; A25-W29 HydrophobicContact CB-CD2 4.11Å; A25-W29 HydrophobicContact CB-CE3 3.58Å; A25-W29 HydrophobicContact CB-CH2 4.12Å; A25-W29 HydrophobicContact CB-CZ3 3.59Å; A25-L73 HydrophobicContact CB-CD1 3.81Å
26S92.1Very high92.7Very high23 Ų2360 Ų6016%0.16132%0.317CS..EExtended strand (participates in β ladder)trans-100.5139.6166.7-177.90000109.2S3 E28 W29 L73S3-S26 CarbonylContact O-C 3.51Å; S3-S26 WeakPolarHBondContact O-CA 3.39Å; S26-E28 PolarHBondContact O-N 3.05Å; S26-E28 VanDerWaalsContact O-N 3.08Å; S26-E28 PolarHBondContact OG-N 3.04Å; S26-W29 VanDerWaalsContact O-CB 3.3Å; S26-W29 WeakPolarHBondContact O-CB 3.37Å; S26-W29 PolarHBondContact O-N 3.5Å; S26-L73 WeakPolarHBondContact O-CD1 3.48Å
27L91.2Very high93.2Very high38 Ų3855.8 Ų55.820%0.19930%0.296CS..THydrogen-bonded Turntrans-56.6-22.5169.9-74.7169.7000112.7S3 I5 K74 I77S3-L27 PolarHBondContact O-N 3.08Å; I5-L27 HydrophobicContact CD1-CD2 3.87Å; I5-L27 HydrophobicContact CD1-CG 4.39Å; I5-L27 HydrophobicContact CG2-CD1 4.13Å; I5-L27 HydrophobicContact CG2-CD2 3.95Å; I5-L27 HydrophobicContact CG2-CG 3.79Å; L27-K74 HydrophobicContact CB-CB 4.18Å; L27-K74 HydrophobicContact CD2-CB 4.43Å; L27-K74 WeakPolarHBondContact O-CB 3.43Å; L27-K74 PolarHBondContact O-N 3.08Å; L27-I77 HydrophobicContact CD2-CD1 3.91Å
28E93.3Very high93.5Very high112 Ų11250.4 Ų50.452%0.52326%0.263SS..THydrogen-bonded Turntrans-84.1-5.9176.6-53.2-56.1139.600113.5S26 T30S26-E28 PolarHBondContact O-N 3.05Å; S26-E28 VanDerWaalsContact O-N 3.08Å; S26-E28 PolarHBondContact OG-N 3.04Å; E28-T30 PolarHBondContact O-N 3.01Å
29W94.9Very high93.9Very high55 Ų5547.9 Ų47.921%0.20825%0.251CS..  trans-62.5138.1172.9-76.83.3000110.2A25 S26 D33 K37 T72 L73A25-W29 HydrophobicContact CB-CD2 4.11Å; A25-W29 HydrophobicContact CB-CE3 3.58Å; A25-W29 HydrophobicContact CB-CH2 4.12Å; A25-W29 HydrophobicContact CB-CZ3 3.59Å; S26-W29 VanDerWaalsContact O-CB 3.3Å; S26-W29 WeakPolarHBondContact O-CB 3.37Å; S26-W29 PolarHBondContact O-N 3.5Å; W29-D33 HydrophobicContact CB-CB 3.82Å; W29-D33 HydrophobicContact CD2-CB 4.27Å; W29-D33 HydrophobicContact CG-CB 3.91Å; W29-K37 HydrophobicContact CH2-CB 4.4Å; W29-K37 HydrophobicContact CH2-CD 4.22Å; W29-K37 HydrophobicContact CH2-CG 3.67Å; W29-K37 HydrophobicContact CZ2-CG 4.35Å; W29-K37 HydrophobicContact CZ3-CB 4.16Å; W29-K37 HydrophobicContact CZ3-CG 3.78Å; W29-T72 CarbonylContact O-C 3.58Å; W29-T72 WeakPolarHBondContact O-CA 3.49Å; W29-L73 HydrophobicContact CB-CD1 3.82Å; W29-L73 HydrophobicContact CB-CG 4.04Å; W29-L73 HydrophobicContact CE3-CD1 4.29Å; W29-L73 PolarHBondContact O-N 3.44Å
30T94.9Very high94.1Very high31 Ų3150.9 Ų50.919%0.1925%0.254CS..BIsolated β-bridgetrans-77.4169.9169.764.10000111E28 A32 D33 L34 L71E28-T30 PolarHBondContact O-N 3.01Å; T30-A32 PolarHBondContact O-N 3.42Å; T30-A32 PolarHBondContact OG1-N 2.84Å; T30-D33 WeakPolarHBondContact CB-OD2 3.35Å; T30-D33 PolarHBondContact N-OD2 2.97Å; T30-D33 PolarHBondContact O-N 2.91Å; T30-D33 VanDerWaalsContact OG1-CG 3.25Å; T30-D33 PolarHBondContact OG1-N 3.01Å; T30-D33 VanDerWaalsContact OG1-N 3.11Å; T30-D33 PolarHBondContact OG1-OD2 3.32Å; T30-L34 PolarHBondContact O-N 2.98Å; T30-L34 VanDerWaalsContact O-N 3.12Å; T30-L71 CarbonylContact C-O 3.59Å; T30-L71 WeakPolarHBondContact CA-O 3.27Å
31Y93.4Very high94.3Very high1 Ų153.8 Ų53.80%0.00426%0.262CS..Hα-helixtrans-51.2-45166.4-168-68.2000111.2D33 L34 A35 I49 Q50 F51 V65 F67 L71 I76 I99Y31-D33 PolarHBondContact O-N 3.15Å; Y31-L34 PolarHBondContact O-N 3.37Å; Y31-A35 HydrophobicContact CD1-CB 4.31Å; Y31-A35 HydrophobicContact CE1-CB 4.36Å; Y31-A35 WeakPolarHBondContact O-CB 3.46Å; Y31-A35 PolarHBondContact O-N 3.07Å; Y31-I49 PolarHBondContact OH-O 2.65Å; Y31-Q50 WeakPolarHBondContact OH-CA 3.46Å; Y31-F51 HydrophobicContact CD1-CD2 4.3Å; Y31-F51 HydrophobicContact CD1-CE2 4.37Å; Y31-F51 HydrophobicContact CD2-CD2 4.42Å; Y31-F51 AromaticContact CE1-CD2 3.65Å; Y31-F51 HydrophobicContact CE1-CD2 3.65Å; Y31-F51 AromaticContact CE1-CE2 3.86Å; Y31-F51 HydrophobicContact CE1-CE2 3.86Å; Y31-F51 HydrophobicContact CE2-CB 4.43Å; Y31-F51 AromaticContact CE2-CD2 3.86Å; Y31-F51 HydrophobicContact CE2-CD2 3.86Å; Y31-F51 AromaticContact CZ-CD2 3.44Å; Y31-F51 VanDerWaalsContact CZ-CD2 3.44Å; Y31-F51 PolarHBondContact OH-N 2.72Å; Y31-F51 VanDerWaalsContact OH-N 3.11Å; Y31-V65 HydrophobicContact CD2-CG1 3.97Å; Y31-V65 HydrophobicContact CE2-CB 4.09Å; Y31-V65 HydrophobicContact CE2-CG1 3.89Å; Y31-V65 WeakPolarHBondContact CE2-O 3.26Å; Y31-F67 AromaticContact CD1-CD2 3.4Å; Y31-F67 HydrophobicContact CD1-CD2 3.4Å; Y31-F67 VanDerWaalsContact CD1-CD2 3.4Å; Y31-F67 AromaticContact CD1-CE2 3.7Å; Y31-F67 HydrophobicContact CD1-CE2 3.7Å; Y31-F67 HydrophobicContact CD1-CG 4.47Å; Y31-F67 AromaticContact CE1-CD2 3.56Å; Y31-F67 HydrophobicContact CE1-CD2 3.56Å; Y31-F67 HydrophobicContact CE1-CE2 4.16Å; Y31-F67 HydrophobicContact CG-CD2 4.02Å; Y31-F67 HydrophobicContact CG-CE2 4.43Å; Y31-L71 PolarHBondContact N-O 3.46Å; Y31-I76 HydrophobicContact CD2-CD1 4.46Å; Y31-I99 HydrophobicContact CE1-CD1 3.53Å; Y31-I99 WeakPolarHBondContact OH-CD1 3.28Å
32A93.5Very high94.3Very high19 Ų1953.8 Ų53.816%0.15726%0.262CS..Hα-helixtrans-63.6-40.7-178.500000111.7T30 A35 M36T30-A32 PolarHBondContact O-N 3.42Å; T30-A32 PolarHBondContact OG1-N 2.84Å; A32-A35 PolarHBondContact O-N 3.49Å; A32-M36 WeakPolarHBondContact O-CB 3.39Å; A32-M36 VanDerWaalsContact O-CG 3.22Å; A32-M36 WeakPolarHBondContact O-CG 3.26Å; A32-M36 PolarHBondContact O-N 2.87Å
33D95.4Very high94.4Very high70 Ų7057.9 Ų57.937%0.37428%0.282SS..Hα-helixtrans-62.1-45.5175.6-63.5-54.4000111.8W29 T30 Y31 A35 M36 K37W29-D33 HydrophobicContact CB-CB 3.82Å; W29-D33 HydrophobicContact CD2-CB 4.27Å; W29-D33 HydrophobicContact CG-CB 3.91Å; T30-D33 WeakPolarHBondContact CB-OD2 3.35Å; T30-D33 PolarHBondContact N-OD2 2.97Å; T30-D33 PolarHBondContact O-N 2.91Å; T30-D33 VanDerWaalsContact OG1-CG 3.25Å; T30-D33 PolarHBondContact OG1-N 3.01Å; T30-D33 VanDerWaalsContact OG1-N 3.11Å; T30-D33 PolarHBondContact OG1-OD2 3.32Å; Y31-D33 PolarHBondContact O-N 3.15Å; D33-A35 VanDerWaalsContact C-N 3.33Å; D33-A35 PolarHBondContact O-N 3.31Å; D33-M36 PolarHBondContact O-N 3.14Å; D33-K37 WeakPolarHBondContact O-CG 3.47Å; D33-K37 PolarHBondContact O-N 3.16Å
34L95.4Very high94.6Very high2 Ų260.5 Ų60.51%0.0129%0.291CS..Hα-helixtrans-61.4-43.9175.6179.365.3000110.9L7 L9 L23 T30 Y31 K37 T38 F51 L73L7-L34 HydrophobicContact CD1-CD1 3.86Å; L9-L34 HydrophobicContact CD1-CD1 4.24Å; L23-L34 HydrophobicContact CD1-CD1 4.14Å; T30-L34 PolarHBondContact O-N 2.98Å; T30-L34 VanDerWaalsContact O-N 3.12Å; Y31-L34 PolarHBondContact O-N 3.37Å; L34-K37 PolarHBondContact O-N 3.27Å; L34-T38 WeakPolarHBondContact O-CB 3.39Å; L34-T38 PolarHBondContact O-N 3.48Å; L34-T38 PolarHBondContact O-OG1 2.78Å; L34-F51 HydrophobicContact CB-CE2 4.29Å; L34-F51 HydrophobicContact CB-CZ 4.49Å; L34-F51 HydrophobicContact CD2-CD1 4.06Å; L34-F51 HydrophobicContact CD2-CD2 3.83Å; L34-F51 HydrophobicContact CD2-CE1 3.95Å; L34-F51 HydrophobicContact CD2-CE2 3.74Å; L34-F51 HydrophobicContact CD2-CG 4.01Å; L34-F51 HydrophobicContact CD2-CZ 3.81Å; L34-F51 HydrophobicContact CG-CD2 4.4Å; L34-F51 HydrophobicContact CG-CE1 4.11Å; L34-F51 HydrophobicContact CG-CE2 3.8Å; L34-F51 HydrophobicContact CG-CZ 3.64Å; L34-L73 HydrophobicContact CB-CD2 4.33Å; L34-L73 HydrophobicContact CD2-CD2 3.79Å; L34-L73 HydrophobicContact CG-CD2 4.5Å
35A95.6Very high94.8Very high2 Ų255.3 Ų55.32%0.01727%0.271CS..Hα-helixtrans-61.9-45.5177.900000111.9Y31 A32 D33 K37 T38 G39 P46 F51Y31-A35 HydrophobicContact CD1-CB 4.31Å; Y31-A35 HydrophobicContact CE1-CB 4.36Å; Y31-A35 WeakPolarHBondContact O-CB 3.46Å; Y31-A35 PolarHBondContact O-N 3.07Å; A32-A35 PolarHBondContact O-N 3.49Å; D33-A35 VanDerWaalsContact C-N 3.33Å; D33-A35 PolarHBondContact O-N 3.31Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.49Å; A35-T38 PolarHBondContact O-N 2.61Å; A35-G39 PolarHBondContact O-N 2.8Å; A35-P46 HydrophobicContact CB-CB 4.11Å; A35-P46 WeakPolarHBondContact CB-O 3.03Å; A35-F51 HydrophobicContact CB-CE2 4.04Å
36M96Very high95Very high110 Ų11056.4 Ų56.454%0.54228%0.278SS..Hα-helixtrans-60.6-43177.8-74.5-66.6-64.100111.6A32 D33 K40 P46A32-M36 WeakPolarHBondContact O-CB 3.39Å; A32-M36 VanDerWaalsContact O-CG 3.22Å; A32-M36 WeakPolarHBondContact O-CG 3.26Å; A32-M36 PolarHBondContact O-N 2.87Å; D33-M36 PolarHBondContact O-N 3.14Å; M36-K40 PolarHBondContact O-N 3.37Å; M36-P46 HydrophobicContact CG-CB 4.39Å; M36-P46 HydrophobicContact SD-CB 3.86Å; M36-P46 HydrophobicContact SD-CG 3.59Å; M36-P46 VanDerWaalsContact SD-CG 3.59Å
37K96.1Very high95Very high105 Ų10557.6 Ų57.646%0.45728%0.28SS..Hα-helixtrans-66.7-48.4176.5-70.3-69.4-175.5-176.30111.8L23 W29 D33 L34 A35 K40 E41L23-K37 HydrophobicContact CD1-CB 4.25Å; W29-K37 HydrophobicContact CH2-CB 4.4Å; W29-K37 HydrophobicContact CH2-CD 4.22Å; W29-K37 HydrophobicContact CH2-CG 3.67Å; W29-K37 HydrophobicContact CZ2-CG 4.35Å; W29-K37 HydrophobicContact CZ3-CB 4.16Å; W29-K37 HydrophobicContact CZ3-CG 3.78Å; D33-K37 WeakPolarHBondContact O-CG 3.47Å; D33-K37 PolarHBondContact O-N 3.16Å; L34-K37 PolarHBondContact O-N 3.27Å; A35-K37 VanDerWaalsContact C-N 3.34Å; A35-K37 PolarHBondContact O-N 3.49Å; K37-K40 PolarHBondContact O-N 2.83Å; K37-E41 PolarHBondContact O-N 2.84Å
38T95.9Very high95.2Very high0 Ų058.7 Ų58.70%028%0.283CS..Hα-helixtrans-61.7-46.8179.2-52.30000111.1L9 L34 A35 K40 E41 I42 I49 F51 Y92L9-T38 HydrophobicContact CD1-CG2 3.86Å; L9-T38 WeakPolarHBondContact CD1-OG1 3.32Å; L34-T38 WeakPolarHBondContact O-CB 3.39Å; L34-T38 PolarHBondContact O-N 3.48Å; L34-T38 PolarHBondContact O-OG1 2.78Å; A35-T38 PolarHBondContact O-N 2.61Å; T38-K40 VanDerWaalsContact C-N 3.28Å; T38-K40 PolarHBondContact O-N 2.88Å; T38-E41 WeakPolarHBondContact O-CB 3.35Å; T38-E41 PolarHBondContact O-N 3.12Å; T38-I42 HydrophobicContact CG2-CD1 4.48Å; T38-I42 WeakPolarHBondContact O-CG1 3.18Å; T38-I42 PolarHBondContact O-N 2.83Å; T38-I49 HydrophobicContact CG2-CD1 4.17Å; T38-I49 HydrophobicContact CG2-CG2 4.4Å; T38-F51 HydrophobicContact CG2-CE1 4.08Å; T38-F51 HydrophobicContact CG2-CZ 4.24Å; T38-F51 WeakPolarHBondContact OG1-CZ 3.45Å; T38-Y92 HydrophobicContact CG2-CG 4.5Å
39G96.8Very high95.3Very high4 Ų453.3 Ų53.34%0.04126%0.258CS..Hα-helixtrans-60.6-34.6179.600000113.3A35 N43 Y44 I49A35-G39 PolarHBondContact O-N 2.8Å; G39-N43 CarbonylContact O-C 3.5Å; G39-N43 VanDerWaalsContact O-CA 3.27Å; G39-N43 WeakPolarHBondContact O-CA 3.22Å; G39-N43 PolarHBondContact O-N 3.25Å; G39-Y44 CarbonylContact C-O 3.53Å; G39-Y44 VanDerWaalsContact CA-O 3.28Å; G39-Y44 WeakPolarHBondContact CA-O 3.37Å; G39-Y44 PolarHBondContact O-N 3.27Å; G39-I49 VanDerWaalsContact CA-CD1 3.49Å
40K96.3Very high95.3Very high167 Ų16752.2 Ų52.273%0.72626%0.255SS*.Hα-helixtrans-64.4-44.2171.4-172.9-178.6177.5-176.40112.2M36 K37 T38 I42M36-K40 PolarHBondContact O-N 3.37Å; K37-K40 PolarHBondContact O-N 2.83Å; T38-K40 VanDerWaalsContact C-N 3.28Å; T38-K40 PolarHBondContact O-N 2.88Å; K40-I42 VanDerWaalsContact C-N 3.35Å
41E95.5Very high95.2Very high118 Ų11850.9 Ų50.955%0.55125%0.247SC*.Hα-helixtrans-66.2-35.5179.8-65-59.4140.100112.5I21 L23 K37 T38I21-E41 HydrophobicContact CD1-CB 4.1Å; I21-E41 HydrophobicContact CG2-CB 4.25Å; I21-E41 HydrophobicContact CG2-CG 4.03Å; L23-E41 HydrophobicContact CD2-CG 4.15Å; K37-E41 PolarHBondContact O-N 2.84Å; T38-E41 WeakPolarHBondContact O-CB 3.35Å; T38-E41 PolarHBondContact O-N 3.12Å
42I94.7Very high95.1Very high26 Ų2650.8 Ų50.813%0.13325%0.247CC..Hα-helixtrans-101.64.9-177.370.7172.5000114.5I21 T38 K40 Y44 I49 Y92 R94I21-I42 HydrophobicContact CD1-CG2 3.37Å; T38-I42 HydrophobicContact CG2-CD1 4.48Å; T38-I42 WeakPolarHBondContact O-CG1 3.18Å; T38-I42 PolarHBondContact O-N 2.83Å; K40-I42 VanDerWaalsContact C-N 3.35Å; I42-Y44 HydrophobicContact CD1-CG 4.48Å; I42-Y44 PolarHBondContact O-N 3.22Å; I42-I49 HydrophobicContact CD1-CD1 3.81Å; I42-I49 HydrophobicContact CD1-CG1 4.25Å; I42-I49 HydrophobicContact CG1-CD1 4.34Å; I42-Y92 HydrophobicContact CD1-CD2 4.19Å; I42-Y92 HydrophobicContact CD1-CE2 3.78Å; I42-Y92 HydrophobicContact CG2-CE2 4.25Å; I42-R94 HydrophobicContact CD1-CG 4.47Å
43N95.5Very high94.8Very high151 Ų15153 Ų5381%0.80725%0.251SS*.THydrogen-bonded Turntrans4755.7-173.5-168.437.3000113.3G39G39-N43 CarbonylContact O-C 3.5Å; G39-N43 VanDerWaalsContact O-CA 3.27Å; G39-N43 WeakPolarHBondContact O-CA 3.22Å; G39-N43 PolarHBondContact O-N 3.25Å
44Y96.3Very high94.1Very high70 Ų7050.6 Ų50.628%0.27524%0.241SC..SBendtrans-138.2154-177.3-159.7-111000111.4G39 I42 P46 K48 I49 R94 M95G39-Y44 CarbonylContact C-O 3.53Å; G39-Y44 VanDerWaalsContact CA-O 3.28Å; G39-Y44 WeakPolarHBondContact CA-O 3.37Å; G39-Y44 PolarHBondContact O-N 3.27Å; I42-Y44 HydrophobicContact CD1-CG 4.48Å; I42-Y44 PolarHBondContact O-N 3.22Å; Y44-P46 VanDerWaalsContact O-CD 3.25Å; Y44-P46 WeakPolarHBondContact O-CD 3.49Å; Y44-P46 VanDerWaalsContact O-N 3.16Å; Y44-K48 HydrophobicContact CD1-CB 4.12Å; Y44-K48 HydrophobicContact CE1-CB 3.42Å; Y44-K48 VanDerWaalsContact CE1-CB 3.42Å; Y44-K48 WeakPolarHBondContact CE1-O 3.46Å; Y44-I49 HydrophobicContact CD1-CG1 3.92Å; Y44-R94 HydrophobicContact CD1-CB 4.38Å; Y44-R94 HydrophobicContact CD1-CG 3.97Å; Y44-R94 HydrophobicContact CD2-CG 4.41Å; Y44-R94 HydrophobicContact CE1-CB 3.79Å; Y44-R94 HydrophobicContact CE1-CG 3.89Å; Y44-R94 HydrophobicContact CE2-CB 4.46Å; Y44-R94 HydrophobicContact CE2-CG 4.37Å; Y44-R94 HydrophobicContact CG-CG 4.23Å; Y44-M95 PolarHBondContact OH-O 2.79Å
45D96.3Very high93.1Very high56 Ų5652.6 Ų52.630%0.29926%0.255SS..  trans-58.3117.7177.5-179.3-8.5000109.8F47 K48D45-F47 PolarHBondContact O-N 3.03Å; D45-F47 VanDerWaalsContact O-N 3.17Å; D45-F47 PolarHBondContact OD1-N 2.76Å; D45-K48 HydrophobicContact CB-CB 4.15Å; D45-K48 HydrophobicContact CB-CD 4.17Å; D45-K48 HydrophobicContact CB-CG 3.99Å; D45-K48 PolarHBondContact O-N 3.09Å
46P95.5Very high91.6Very high25 Ų2557 Ų5716%0.16228%0.277CS..G310 helixtrans-51.1-38178.6-3240.1000113.6A35 M36 Y44 K48 I49A35-P46 HydrophobicContact CB-CB 4.11Å; A35-P46 WeakPolarHBondContact CB-O 3.03Å; M36-P46 HydrophobicContact CG-CB 4.39Å; M36-P46 HydrophobicContact SD-CB 3.86Å; M36-P46 HydrophobicContact SD-CG 3.59Å; M36-P46 VanDerWaalsContact SD-CG 3.59Å; Y44-P46 VanDerWaalsContact O-CD 3.25Å; Y44-P46 WeakPolarHBondContact O-CD 3.49Å; Y44-P46 VanDerWaalsContact O-N 3.16Å; P46-K48 PolarHBondContact O-N 2.88Å; P46-I49 PolarHBondContact O-N 2.63Å
47F93.6Very high89.9Confident48 Ų4861.7 Ų61.721%0.21129%0.29CS..G310 helixtrans-79.41.7-178.5-64.1-80.4000113.2D45 F67 Y69 R98 I99 D100D45-F47 PolarHBondContact O-N 3.03Å; D45-F47 VanDerWaalsContact O-N 3.17Å; D45-F47 PolarHBondContact OD1-N 2.76Å; F47-F67 HydrophobicContact CD1-CE2 4.33Å; F47-F67 HydrophobicContact CD1-CZ 4.33Å; F47-F67 HydrophobicContact CE1-CZ 4.23Å; F47-Y69 HydrophobicContact CE1-CE1 4.28Å; F47-R98 HydrophobicContact CB-CG 4.23Å; F47-R98 VanDerWaalsContact CB-CZ 3.48Å; F47-R98 VanDerWaalsContact CG-NH1 3.3Å; F47-R98 VanDerWaalsContact CG-NH2 3.29Å; F47-R98 CarbonylContact O-C 3.49Å; F47-R98 VanDerWaalsContact O-CA 3.25Å; F47-R98 WeakPolarHBondContact O-CA 3.5Å; F47-I99 WeakPolarHBondContact O-CG1 3.4Å; F47-I99 PolarHBondContact O-N 2.89Å; F47-D100 HydrophobicContact CD1-CB 4.35Å
48K95.2Very high88.2Confident60 Ų6063.7 Ų63.726%0.26130%0.298SS..G310 helixtrans-11118.5173-64.6-167.1179.7-164.70112.1Y44 D45 P46 M95 P96 R98Y44-K48 HydrophobicContact CD1-CB 4.12Å; Y44-K48 HydrophobicContact CE1-CB 3.42Å; Y44-K48 VanDerWaalsContact CE1-CB 3.42Å; Y44-K48 WeakPolarHBondContact CE1-O 3.46Å; D45-K48 HydrophobicContact CB-CB 4.15Å; D45-K48 HydrophobicContact CB-CD 4.17Å; D45-K48 HydrophobicContact CB-CG 3.99Å; D45-K48 PolarHBondContact O-N 3.09Å; P46-K48 PolarHBondContact O-N 2.88Å; K48-M95 WeakPolarHBondContact CB-O 3.5Å; K48-M95 WeakPolarHBondContact O-CA 3.47Å; K48-M95 VanDerWaalsContact O-CB 3.29Å; K48-M95 WeakPolarHBondContact O-CB 3.34Å; K48-M95 PolarHBondContact O-N 2.76Å; K48-P96 PolarHBondContact NZ-O 2.84Å; K48-R98 HydrophobicContact CG-CG 4.15Å
49I95.1Very high86.4Confident0 Ų071.9 Ų71.90%034%0.342CS..EExtended strand (participates in β ladder)trans-109.3115.7179.2-59.1172.9000109.1Y31 T38 G39 I42 Y44 P46 F51 Y92 I99Y31-I49 PolarHBondContact OH-O 2.65Å; T38-I49 HydrophobicContact CG2-CD1 4.17Å; T38-I49 HydrophobicContact CG2-CG2 4.4Å; G39-I49 VanDerWaalsContact CA-CD1 3.49Å; I42-I49 HydrophobicContact CD1-CD1 3.81Å; I42-I49 HydrophobicContact CD1-CG1 4.25Å; I42-I49 HydrophobicContact CG1-CD1 4.34Å; Y44-I49 HydrophobicContact CD1-CG1 3.92Å; P46-I49 PolarHBondContact O-N 2.63Å; I49-F51 HydrophobicContact CG2-CD1 4.38Å; I49-F51 HydrophobicContact CG2-CE1 3.8Å; I49-F51 HydrophobicContact CG2-CE2 4.21Å; I49-F51 HydrophobicContact CG2-CZ 3.68Å; I49-Y92 HydrophobicContact CG2-CD2 4.43Å; I49-I99 WeakPolarHBondContact O-CD1 3.38Å
50Q93.6Very high84.6Confident31 Ų3173.9 Ų73.915%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-96.1121.4172.6-175.3-179.98200110.6Y31 Y92 Q93 M95 I99Y31-Q50 WeakPolarHBondContact OH-CA 3.46Å; Q50-Y92 CarbonylContact O-C 3.56Å; Q50-Y92 WeakPolarHBondContact O-CA 3.45Å; Q50-Q93 HydrophobicContact CB-CG 3.87Å; Q50-Q93 PolarHBondContact N-O 2.81Å; Q50-Q93 PolarHBondContact O-N 3.15Å; Q50-M95 HydrophobicContact CB-CG 3.75Å; Q50-M95 HydrophobicContact CB-SD 3.91Å; Q50-I99 HydrophobicContact CB-CG2 4.27Å
51F94.3Very high83.1Confident3 Ų369.2 Ų69.21%0.01335%0.351CS..EExtended strand (participates in β ladder)trans-85.3148.5170.6-60.1-67.7000112.2L9 Y31 L34 A35 T38 I49 V65 L91L9-F51 HydrophobicContact CD1-CE1 4.38Å; Y31-F51 HydrophobicContact CD1-CD2 4.3Å; Y31-F51 HydrophobicContact CD1-CE2 4.37Å; Y31-F51 HydrophobicContact CD2-CD2 4.42Å; Y31-F51 AromaticContact CE1-CD2 3.65Å; Y31-F51 HydrophobicContact CE1-CD2 3.65Å; Y31-F51 AromaticContact CE1-CE2 3.86Å; Y31-F51 HydrophobicContact CE1-CE2 3.86Å; Y31-F51 HydrophobicContact CE2-CB 4.43Å; Y31-F51 AromaticContact CE2-CD2 3.86Å; Y31-F51 HydrophobicContact CE2-CD2 3.86Å; Y31-F51 AromaticContact CZ-CD2 3.44Å; Y31-F51 VanDerWaalsContact CZ-CD2 3.44Å; Y31-F51 PolarHBondContact OH-N 2.72Å; Y31-F51 VanDerWaalsContact OH-N 3.11Å; L34-F51 HydrophobicContact CB-CE2 4.29Å; L34-F51 HydrophobicContact CB-CZ 4.49Å; L34-F51 HydrophobicContact CD2-CD1 4.06Å; L34-F51 HydrophobicContact CD2-CD2 3.83Å; L34-F51 HydrophobicContact CD2-CE1 3.95Å; L34-F51 HydrophobicContact CD2-CE2 3.74Å; L34-F51 HydrophobicContact CD2-CG 4.01Å; L34-F51 HydrophobicContact CD2-CZ 3.81Å; L34-F51 HydrophobicContact CG-CD2 4.4Å; L34-F51 HydrophobicContact CG-CE1 4.11Å; L34-F51 HydrophobicContact CG-CE2 3.8Å; L34-F51 HydrophobicContact CG-CZ 3.64Å; A35-F51 HydrophobicContact CB-CE2 4.04Å; T38-F51 HydrophobicContact CG2-CE1 4.08Å; T38-F51 HydrophobicContact CG2-CZ 4.24Å; T38-F51 WeakPolarHBondContact OG1-CZ 3.45Å; I49-F51 HydrophobicContact CG2-CD1 4.38Å; I49-F51 HydrophobicContact CG2-CE1 3.8Å; I49-F51 HydrophobicContact CG2-CE2 4.21Å; I49-F51 HydrophobicContact CG2-CZ 3.68Å; F51-V65 HydrophobicContact CB-CB 4.44Å; F51-V65 HydrophobicContact CB-CG2 4.49Å; F51-V65 PolarHBondContact O-N 3.22Å; F51-L91 CarbonylContact C-O 3.46Å; F51-L91 VanDerWaalsContact CA-O 3.32Å; F51-L91 WeakPolarHBondContact CA-O 3.41Å
52S91.6Very high82.1Confident0 Ų063.9 Ų63.90%033%0.328CS..EExtended strand (participates in β ladder)trans-132.4145.2169.1-57.70000110.1A54 S63 L91S52-A54 PolarHBondContact O-N 3.32Å; S52-S63 CarbonylContact C-O 3.48Å; S52-S63 WeakPolarHBondContact CA-O 3.29Å; S52-S63 WeakPolarHBondContact CB-O 3.43Å; S52-L91 PolarHBondContact N-O 2.82Å; S52-L91 PolarHBondContact O-N 2.88Å
53R87.2Confident81.6Confident65 Ų6565.5 Ų65.525%0.24534%0.342CS..EExtended strand (participates in β ladder)trans-71.6126.7173.8-64.1162-165.6159.24.3108.4S55 G62 S63 V65 I76 S79 V80 F90R53-S55 PolarHBondContact O-N 3.22Å; R53-G62 WeakPolarHBondContact O-CA 3.36Å; R53-S63 PolarHBondContact N-O 3.08Å; R53-S63 PolarHBondContact O-N 3.22Å; R53-V65 HydrophobicContact CG-CG2 3.87Å; R53-I76 PolarHBondContact NE-O 2.87Å; R53-S79 PolarHBondContact NE-OG 2.9Å; R53-S79 PolarHBondContact NH1-OG 2.99Å; R53-S79 PolarHBondContact NH2-OG 3.2Å; R53-V80 HydrophobicContact CB-CG2 4.02Å; R53-V80 HydrophobicContact CG-CG2 3.86Å; R53-F90 HydrophobicContact CG-CE1 4Å
54A80.6Confident81.3Confident20 Ų2061.9 Ų61.917%0.16533%0.326CS..PPolyproline II helixtrans-65.9132.3175.900000109.9S52 R89 L91S52-A54 PolarHBondContact O-N 3.32Å; A54-R89 HydrophobicContact CB-CB 3.88Å; A54-R89 VanDerWaalsContact CB-O 3.32Å; A54-R89 WeakPolarHBondContact CB-O 3.38Å; A54-R89 PolarHBondContact N-O 2.82Å; A54-L91 HydrophobicContact CB-CG 4.42Å
55S73.7Confident81Confident43 Ų4358.6 Ų58.630%0.30131%0.313SS..PPolyproline II helixtrans-75.2137172.3175.30000109.3R53 Y57 K58R53-S55 PolarHBondContact O-N 3.22Å; S55-Y57 PolarHBondContact O-N 3.45Å; S55-Y57 PolarHBondContact OG-N 2.96Å; S55-K58 WeakPolarHBondContact CB-O 3.42Å; S55-K58 PolarHBondContact OG-N 3.24Å
56M63.7Low80.6Confident96 Ų9660.9 Ų60.947%0.47332%0.321SS..SBendtrans-74.1-16.4175-66.5-68.8165.600112.8V80 P83M56-V80 HydrophobicContact CE-CG1 4.44Å; M56-P83 HydrophobicContact CE-CB 4.06Å; M56-P83 HydrophobicContact CE-CG 4.39Å
57Y61.1Low80.2Confident208 Ų20860.4 Ų60.482%0.81632%0.316SS*.SBendtrans-114.6-13.8-167.6-59.4-71.5000114.2S55S55-Y57 PolarHBondContact O-N 3.45Å; S55-Y57 PolarHBondContact OG-N 2.96Å
58K59.7Low79.8Confident146 Ų14660.1 Ų60.164%0.63532%0.32SS*.SBendtrans-146.7119.3-178.6-75.6-172177.5-176.30109.6S55 G60 S61S55-K58 WeakPolarHBondContact CB-O 3.42Å; S55-K58 PolarHBondContact OG-N 3.24Å; K58-G60 PolarHBondContact O-N 3.39Å; K58-S61 WeakPolarHBondContact CB-OG 3.44Å
59D58.1Low79.4Confident173 Ų17363.7 Ų63.793%0.92533%0.333SS*.THydrogen-bonded Turntrans-60133.2170-73.8-38.3000109.9S61D59-S61 PolarHBondContact O-N 2.72Å
60G58.7Low79.1Confident46 Ų4668.1 Ų68.147%0.47436%0.364SS..THydrogen-bonded Turntrans85.8-18.5175.600000117.7K58 G62K58-G60 PolarHBondContact O-N 3.39Å; G60-G62 VanDerWaalsContact C-N 3.29Å; G60-G62 PolarHBondContact O-N 3.21Å; G60-G62 VanDerWaalsContact O-N 3.11Å
61S66.1Low79Confident68 Ų6868.4 Ų68.448%0.47637%0.366SS..  trans-88.231.6-170.285.20000115.3K58 D59K58-S61 WeakPolarHBondContact CB-OG 3.44Å; D59-S61 PolarHBondContact O-N 2.72Å
62G74.3Confident79Confident7 Ų769.5 Ų69.57%0.07237%0.373CS..PPolyproline II helixtrans-63.6143-175.200000113.6R53 G60R53-G62 WeakPolarHBondContact O-CA 3.36Å; G60-G62 VanDerWaalsContact C-N 3.29Å; G60-G62 PolarHBondContact O-N 3.21Å; G60-G62 VanDerWaalsContact O-N 3.11Å
63S83.6Confident79Confident60 Ų6069.5 Ų69.542%0.4237%0.373SS..EExtended strand (participates in β ladder)trans-81.5130.8174.455.20000110.6S52 R53 V65S52-S63 CarbonylContact C-O 3.48Å; S52-S63 WeakPolarHBondContact CA-O 3.29Å; S52-S63 WeakPolarHBondContact CB-O 3.43Å; R53-S63 PolarHBondContact N-O 3.08Å; R53-S63 PolarHBondContact O-N 3.22Å; S63-V65 PolarHBondContact O-N 3.05Å
64P89.1Confident79.1Confident74 Ų7471.2 Ų71.248%0.48138%0.382SS..EExtended strand (participates in β ladder)trans-57.9136.7177.7-2534.3000111.9
65V90.2Very high79.6Confident1 Ų175.2 Ų75.21%0.00640%0.397CS..PPolyproline II helixtrans-86.8116.2170-178.20000107.5Y31 F51 R53 S63 F67 L71 I76Y31-V65 HydrophobicContact CD2-CG1 3.97Å; Y31-V65 HydrophobicContact CE2-CB 4.09Å; Y31-V65 HydrophobicContact CE2-CG1 3.89Å; Y31-V65 WeakPolarHBondContact CE2-O 3.26Å; F51-V65 HydrophobicContact CB-CB 4.44Å; F51-V65 HydrophobicContact CB-CG2 4.49Å; F51-V65 PolarHBondContact O-N 3.22Å; R53-V65 HydrophobicContact CG-CG2 3.87Å; S63-V65 PolarHBondContact O-N 3.05Å; V65-F67 PolarHBondContact O-N 2.82Å; V65-L71 HydrophobicContact CG1-CD2 3.91Å; V65-I76 HydrophobicContact CG1-CD1 3.88Å; V65-I76 HydrophobicContact CG1-CG1 3.81Å; V65-I76 HydrophobicContact CG1-CG2 4.06Å; V65-I76 HydrophobicContact CG2-CG2 3.86Å
66K87.3Confident80.3Confident105 Ų10573.3 Ų73.346%0.45738%0.384SS..PPolyproline II helixtrans-57.7131.1175.3-169.3178.2-177.1-173.80110.2L71 E103K66-L71 WeakPolarHBondContact O-CD2 3.19Å; K66-E103 WeakPolarHBondContact CE-OE2 3.29Å; K66-E103 HydrophobicContact CG-CG 4.39Å; K66-E103 WeakPolarHBondContact CG-OE2 3.21Å
67F87.8Confident81.3Confident15 Ų1568.9 Ų68.97%0.06636%0.362CS..PPolyproline II helixtrans-65137174.2-176.6-88.4000110.7Y31 F47 V65 Y69 I99 D100 E103Y31-F67 AromaticContact CD1-CD2 3.4Å; Y31-F67 HydrophobicContact CD1-CD2 3.4Å; Y31-F67 VanDerWaalsContact CD1-CD2 3.4Å; Y31-F67 AromaticContact CD1-CE2 3.7Å; Y31-F67 HydrophobicContact CD1-CE2 3.7Å; Y31-F67 HydrophobicContact CD1-CG 4.47Å; Y31-F67 AromaticContact CE1-CD2 3.56Å; Y31-F67 HydrophobicContact CE1-CD2 3.56Å; Y31-F67 HydrophobicContact CE1-CE2 4.16Å; Y31-F67 HydrophobicContact CG-CD2 4.02Å; Y31-F67 HydrophobicContact CG-CE2 4.43Å; F47-F67 HydrophobicContact CD1-CE2 4.33Å; F47-F67 HydrophobicContact CD1-CZ 4.33Å; F47-F67 HydrophobicContact CE1-CZ 4.23Å; V65-F67 PolarHBondContact O-N 2.82Å; F67-Y69 HydrophobicContact CE1-CD1 4.31Å; F67-Y69 AromaticContact CE1-CD2 3.75Å; F67-Y69 HydrophobicContact CE1-CD2 3.75Å; F67-Y69 HydrophobicContact CE1-CE1 4.17Å; F67-Y69 AromaticContact CE1-CE2 3.58Å; F67-Y69 HydrophobicContact CE1-CE2 3.58Å; F67-Y69 HydrophobicContact CE1-CG 4.1Å; F67-Y69 AromaticContact CE1-CZ 3.8Å; F67-Y69 HydrophobicContact CZ-CD1 4.11Å; F67-Y69 HydrophobicContact CZ-CD2 4.36Å; F67-Y69 AromaticContact CZ-CE1 3.87Å; F67-Y69 HydrophobicContact CZ-CE1 3.87Å; F67-Y69 HydrophobicContact CZ-CE2 4.13Å; F67-Y69 HydrophobicContact CZ-CG 4.34Å; F67-Y69 AromaticContact CZ-CZ 3.87Å; F67-I99 HydrophobicContact CB-CD1 4.16Å; F67-I99 HydrophobicContact CD2-CD1 3.76Å; F67-I99 HydrophobicContact CD2-CG1 4.21Å; F67-I99 HydrophobicContact CG-CD1 4.34Å; F67-D100 HydrophobicContact CD1-CB 3.54Å; F67-D100 HydrophobicContact CD2-CB 4.32Å; F67-D100 HydrophobicContact CE1-CB 3.34Å; F67-D100 HydrophobicContact CE2-CB 4.15Å; F67-D100 HydrophobicContact CG-CB 4.05Å; F67-D100 HydrophobicContact CZ-CB 3.68Å; F67-E103 HydrophobicContact CB-CB 4.38Å; F67-E103 HydrophobicContact CB-CG 3.92Å
68S85.9Confident82.2Confident41 Ų4163.9 Ų63.929%0.28735%0.349SS..  trans-158137.3167.31660000109.2S70 L71S68-S70 PolarHBondContact O-N 2.93Å; S68-S70 PolarHBondContact OG-N 3.29Å; S68-S70 PolarHBondContact OG-OG 3.34Å; S68-L71 PolarHBondContact O-N 2.82Å; S68-L71 PolarHBondContact OG-N 2.78Å
69Y84.9Confident82.7Confident136 Ų13659.9 Ų59.953%0.53334%0.34SS..THydrogen-bonded Turntrans-63.4-27.4178-74.4-77.8000113.1F47 F67 D100F47-Y69 HydrophobicContact CE1-CE1 4.28Å; F67-Y69 HydrophobicContact CE1-CD1 4.31Å; F67-Y69 AromaticContact CE1-CD2 3.75Å; F67-Y69 HydrophobicContact CE1-CD2 3.75Å; F67-Y69 HydrophobicContact CE1-CE1 4.17Å; F67-Y69 AromaticContact CE1-CE2 3.58Å; F67-Y69 HydrophobicContact CE1-CE2 3.58Å; F67-Y69 HydrophobicContact CE1-CG 4.1Å; F67-Y69 AromaticContact CE1-CZ 3.8Å; F67-Y69 HydrophobicContact CZ-CD1 4.11Å; F67-Y69 HydrophobicContact CZ-CD2 4.36Å; F67-Y69 AromaticContact CZ-CE1 3.87Å; F67-Y69 HydrophobicContact CZ-CE1 3.87Å; F67-Y69 HydrophobicContact CZ-CE2 4.13Å; F67-Y69 HydrophobicContact CZ-CG 4.34Å; F67-Y69 AromaticContact CZ-CZ 3.87Å; Y69-D100 PolarHBondContact OH-OD2 2.96Å
70S89.6Confident83Confident93 Ų9352.9 Ų52.965%0.6530%0.303SS*.THydrogen-bonded Turntrans-97.8-11.4-179.157.90000114.1S68 T72S68-S70 PolarHBondContact O-N 2.93Å; S68-S70 PolarHBondContact OG-N 3.29Å; S68-S70 PolarHBondContact OG-OG 3.34Å; S70-T72 PolarHBondContact O-N 3.12Å
71L91.1Very high83.3Confident36 Ų3655 Ų5519%0.18831%0.309CS..  trans-73.2119.3-175.5179.468.9000110.6T30 Y31 V65 K66 S68 E75 I76T30-L71 CarbonylContact C-O 3.59Å; T30-L71 WeakPolarHBondContact CA-O 3.27Å; Y31-L71 PolarHBondContact N-O 3.46Å; V65-L71 HydrophobicContact CG1-CD2 3.91Å; K66-L71 WeakPolarHBondContact O-CD2 3.19Å; S68-L71 PolarHBondContact O-N 2.82Å; S68-L71 PolarHBondContact OG-N 2.78Å; L71-E75 HydrophobicContact CD1-CB 3.72Å; L71-I76 HydrophobicContact CD1-CG1 4.19Å; L71-I76 HydrophobicContact CD2-CD1 4.01Å; L71-I76 HydrophobicContact CD2-CG1 3.67Å; L71-I76 HydrophobicContact CG-CD1 4.01Å; L71-I76 HydrophobicContact CG-CG1 3.69Å
72T93.9Very high83.1Confident27 Ų2761.2 Ų61.217%0.16632%0.322CS..BIsolated β-bridgetrans-91.7157.5-177.662.40000112.5W29 S70 K74 E75 I76W29-T72 CarbonylContact O-C 3.58Å; W29-T72 WeakPolarHBondContact O-CA 3.49Å; S70-T72 PolarHBondContact O-N 3.12Å; T72-K74 PolarHBondContact O-N 2.92Å; T72-E75 PolarHBondContact N-OE2 3.27Å; T72-E75 PolarHBondContact O-N 2.9Å; T72-E75 VanDerWaalsContact O-N 3.13Å; T72-E75 WeakPolarHBondContact OG1-CG 3.19Å; T72-E75 PolarHBondContact OG1-N 3.37Å; T72-E75 PolarHBondContact OG1-OE2 3.1Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.03Å; T72-I76 PolarHBondContact O-N 3.25Å
73L92Very high82.4Confident0 Ų062.5 Ų62.50%033%0.329CS..Hα-helixtrans-58.7-36.1172.9-74.5-172.4000112.2I5 L7 A25 S26 W29 L34 E75 I76 I77I5-L73 HydrophobicContact CD1-CD1 4.49Å; L7-L73 HydrophobicContact CD1-CD1 3.73Å; L7-L73 HydrophobicContact CD1-CD2 4.5Å; A25-L73 HydrophobicContact CB-CD1 3.81Å; S26-L73 WeakPolarHBondContact O-CD1 3.48Å; W29-L73 HydrophobicContact CB-CD1 3.82Å; W29-L73 HydrophobicContact CB-CG 4.04Å; W29-L73 HydrophobicContact CE3-CD1 4.29Å; W29-L73 PolarHBondContact O-N 3.44Å; L34-L73 HydrophobicContact CB-CD2 4.33Å; L34-L73 HydrophobicContact CD2-CD2 3.79Å; L34-L73 HydrophobicContact CG-CD2 4.5Å; L73-E75 VanDerWaalsContact C-N 3.3Å; L73-E75 PolarHBondContact O-N 2.94Å; L73-I76 HydrophobicContact CD2-CD1 4.13Å; L73-I76 PolarHBondContact O-N 2.76Å; L73-I77 HydrophobicContact CB-CD1 4.4Å; L73-I77 VanDerWaalsContact O-CB 3.25Å; L73-I77 WeakPolarHBondContact O-CB 3.36Å; L73-I77 WeakPolarHBondContact O-CD1 3.35Å; L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 3.36Å
74K90.3Very high81.3Confident101 Ų10172.5 Ų72.544%0.43936%0.357SS..Hα-helixtrans-54.9-46.5174.2-170.9177.8179.8-178.70111.8L27 T72 N78L27-K74 HydrophobicContact CB-CB 4.18Å; L27-K74 HydrophobicContact CD2-CB 4.43Å; L27-K74 WeakPolarHBondContact O-CB 3.43Å; L27-K74 PolarHBondContact O-N 3.08Å; T72-K74 PolarHBondContact O-N 2.92Å; K74-N78 VanDerWaalsContact O-CB 3.29Å; K74-N78 WeakPolarHBondContact O-CB 3.42Å; K74-N78 PolarHBondContact O-N 3.01Å; K74-N78 PolarHBondContact O-ND2 3.48Å
75E89.9Confident80.1Confident103 Ų10370.9 Ų70.948%0.48136%0.355SS..Hα-helixtrans-70.7-41.1178.6-67.8165132.200111.8L71 T72 L73 I77L71-E75 HydrophobicContact CD1-CB 3.72Å; T72-E75 PolarHBondContact N-OE2 3.27Å; T72-E75 PolarHBondContact O-N 2.9Å; T72-E75 VanDerWaalsContact O-N 3.13Å; T72-E75 WeakPolarHBondContact OG1-CG 3.19Å; T72-E75 PolarHBondContact OG1-N 3.37Å; T72-E75 PolarHBondContact OG1-OE2 3.1Å; L73-E75 VanDerWaalsContact C-N 3.3Å; L73-E75 PolarHBondContact O-N 2.94Å; E75-I77 VanDerWaalsContact C-N 3.31Å; E75-I77 PolarHBondContact O-N 3.02Å
76I88.9Confident78.6Confident4 Ų479 Ų792%0.02139%0.392CS..Hα-helixtrans-59.9-44.7176.8-64.6164.7000110.4Y31 R53 V65 L71 T72 L73 S79 F90Y31-I76 HydrophobicContact CD2-CD1 4.46Å; R53-I76 PolarHBondContact NE-O 2.87Å; V65-I76 HydrophobicContact CG1-CD1 3.88Å; V65-I76 HydrophobicContact CG1-CG1 3.81Å; V65-I76 HydrophobicContact CG1-CG2 4.06Å; V65-I76 HydrophobicContact CG2-CG2 3.86Å; L71-I76 HydrophobicContact CD1-CG1 4.19Å; L71-I76 HydrophobicContact CD2-CD1 4.01Å; L71-I76 HydrophobicContact CD2-CG1 3.67Å; L71-I76 HydrophobicContact CG-CD1 4.01Å; L71-I76 HydrophobicContact CG-CG1 3.69Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.03Å; T72-I76 PolarHBondContact O-N 3.25Å; L73-I76 HydrophobicContact CD2-CD1 4.13Å; L73-I76 PolarHBondContact O-N 2.76Å; I76-S79 PolarHBondContact O-OG 2.62Å; I76-F90 HydrophobicContact CG2-CE1 3.39Å; I76-F90 HydrophobicContact CG2-CZ 3.7Å
77I85.1Confident78Confident3 Ų377.9 Ų77.92%0.01539%0.385CS..Hα-helixtrans-75.4-39.8-176.3-71.5167.6000112.3I5 L7 L27 L73 E75 S79 V80 Y88 F90I5-I77 HydrophobicContact CD1-CD1 3.37Å; L7-I77 HydrophobicContact CD2-CD1 4.36Å; L27-I77 HydrophobicContact CD2-CD1 3.91Å; L73-I77 HydrophobicContact CB-CD1 4.4Å; L73-I77 VanDerWaalsContact O-CB 3.25Å; L73-I77 WeakPolarHBondContact O-CB 3.36Å; L73-I77 WeakPolarHBondContact O-CD1 3.35Å; L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 3.36Å; E75-I77 VanDerWaalsContact C-N 3.31Å; E75-I77 PolarHBondContact O-N 3.02Å; I77-S79 PolarHBondContact O-N 3.15Å; I77-V80 WeakPolarHBondContact O-CB 3.42Å; I77-V80 PolarHBondContact O-N 3Å; I77-Y88 HydrophobicContact CB-CE1 4.45Å; I77-Y88 HydrophobicContact CD1-CD1 4.45Å; I77-Y88 HydrophobicContact CD1-CD2 4.03Å; I77-Y88 HydrophobicContact CD1-CE2 4.34Å; I77-Y88 HydrophobicContact CD1-CG 4.08Å; I77-Y88 HydrophobicContact CG1-CD1 4.3Å; I77-Y88 HydrophobicContact CG1-CG 4.33Å; I77-Y88 HydrophobicContact CG2-CD1 3.51Å; I77-Y88 HydrophobicContact CG2-CD2 4.47Å; I77-Y88 HydrophobicContact CG2-CE1 3.1Å; I77-Y88 HydrophobicContact CG2-CE2 4.14Å; I77-Y88 HydrophobicContact CG2-CG 4.18Å; I77-Y88 VanDerWaalsContact CG2-CZ 3.44Å; I77-F90 HydrophobicContact CD1-CE2 4.41Å; I77-F90 HydrophobicContact CG1-CE2 3.96Å; I77-F90 HydrophobicContact CG1-CZ 3.71Å
78N79.7Confident77.8Confident102 Ų10278.7 Ų78.755%0.54539%0.388SS..Hα-helixtrans-61.5-18.2-178.5-79.1-20.8000113.3K74 V80K74-N78 VanDerWaalsContact O-CB 3.29Å; K74-N78 WeakPolarHBondContact O-CB 3.42Å; K74-N78 PolarHBondContact O-N 3.01Å; K74-N78 PolarHBondContact O-ND2 3.48Å; N78-V80 PolarHBondContact O-N 3Å
79S69.7Low77.9Confident62 Ų6284 Ų8443%0.43440%0.402SS..THydrogen-bonded Turntrans-79-2.6172.472.90000114.4R53 I76 I77R53-S79 PolarHBondContact NE-OG 2.9Å; R53-S79 PolarHBondContact NH1-OG 2.99Å; R53-S79 PolarHBondContact NH2-OG 3.2Å; I76-S79 PolarHBondContact O-OG 2.62Å; I77-S79 PolarHBondContact O-N 3.15Å
80V65.9Low78.2Confident26 Ų2677.8 Ų77.816%0.15838%0.378CS..SBendtrans-113.8137.2180-172.80000108.9R53 M56 I77 N78 R82R53-V80 HydrophobicContact CB-CG2 4.02Å; R53-V80 HydrophobicContact CG-CG2 3.86Å; M56-V80 HydrophobicContact CE-CG1 4.44Å; I77-V80 WeakPolarHBondContact O-CB 3.42Å; I77-V80 PolarHBondContact O-N 3Å; N78-V80 PolarHBondContact O-N 3Å; V80-R82 PolarHBondContact O-N 3.42Å
81P63.3Low78.3Confident92 Ų9274.3 Ų74.360%0.59735%0.351SS*.PPolyproline II helixtrans-54.3126.9171.1-22.832.5000110.2P83P81-P83 WeakPolarHBondContact O-CD 3.43Å
82R62.7Low78.5Confident197 Ų19772.7 Ų72.774%0.74334%0.343SS*.PPolyproline II helixtrans-55.9122.7-179.4-79.9-173.8-174.8-162.92109.8V80V80-R82 PolarHBondContact O-N 3.42Å
83P59.8Low78.5Confident34 Ų3473 Ų7322%0.22134%0.342CS..PPolyproline II helixtrans-63153.3170.523.1-27.1000109.5M56 P81 G85 Y88M56-P83 HydrophobicContact CE-CB 4.06Å; M56-P83 HydrophobicContact CE-CG 4.39Å; P81-P83 WeakPolarHBondContact O-CD 3.43Å; P83-G85 PolarHBondContact O-N 3Å; P83-Y88 HydrophobicContact CG-CD1 4.01Å; P83-Y88 HydrophobicContact CG-CE1 4.08Å
84R60.6Low78.6Confident270 Ų27077.3 Ų77.3100%1.01936%0.358SS*.SBendtrans-6713.2176-65-173.6-176.3-178.21.9113.6
85G62.8Low78.7Confident41 Ų4174 Ų7442%0.42335%0.345SS..SBendtrans-144.1170.7-178.900000112.3P83 R87P83-G85 PolarHBondContact O-N 3Å; G85-R87 PolarHBondContact O-N 3.44Å
86H60.4Low78.6Confident172 Ų17273.2 Ų73.280%0.79635%0.349SS*.SBendtrans-79.11.6-174.9-63.1-60.3000115.1
87R74.5Confident78.4Confident80 Ų8078.7 Ų78.730%0.30237%0.374SS..EExtended strand (participates in β ladder)trans-108.4113.7-171.8-161169.5-169.2-125.5-14.1110.4E6 E8 G85E6-R87 HydrophobicContact CB-CG 4.48Å; E6-R87 HydrophobicContact CG-CG 4.31Å; E6-R87 WeakPolarHBondContact O-CA 3.35Å; E6-R87 WeakPolarHBondContact OE1-CD 3.45Å; E6-R87 IonicContact OE1-CZ 3.51Å; E6-R87 IonicContact OE1-NE 3.94Å; E6-R87 PolarHBondContact OE1-NE 3.33Å; E8-R87 HydrophobicContact CB-CG 4.37Å; E8-R87 VanDerWaalsContact CD-CZ 3.48Å; E8-R87 VanDerWaalsContact CD-NH1 3.34Å; E8-R87 VanDerWaalsContact CD-NH2 3.3Å; E8-R87 IonicContact OE1-NH1 3.58Å; E8-R87 IonicContact OE2-CZ 3.72Å; E8-R87 IonicContact OE2-NH1 3.69Å; E8-R87 PolarHBondContact OE2-NH1 2.93Å; E8-R87 IonicContact OE2-NH2 3.02Å; E8-R87 PolarHBondContact OE2-NH2 3.02Å; G85-R87 PolarHBondContact O-N 3.44Å
88Y83.8Confident78.7Confident33 Ų3381.5 Ų81.513%0.12939%0.385CS..EExtended strand (participates in β ladder)trans-91.4141174.1-63.3-86.8000109.7I5 E6 L7 E8 I77 P83I5-Y88 HydrophobicContact CB-CD2 4.45Å; I5-Y88 HydrophobicContact CD1-CD2 4.24Å; I5-Y88 HydrophobicContact CG2-CE2 4.21Å; E6-Y88 PolarHBondContact O-N 3.47Å; E6-Y88 VanDerWaalsContact O-N 3.1Å; L7-Y88 WeakPolarHBondContact CA-O 3.26Å; E8-Y88 PolarHBondContact N-O 3.28Å; I77-Y88 HydrophobicContact CB-CE1 4.45Å; I77-Y88 HydrophobicContact CD1-CD1 4.45Å; I77-Y88 HydrophobicContact CD1-CD2 4.03Å; I77-Y88 HydrophobicContact CD1-CE2 4.34Å; I77-Y88 HydrophobicContact CD1-CG 4.08Å; I77-Y88 HydrophobicContact CG1-CD1 4.3Å; I77-Y88 HydrophobicContact CG1-CG 4.33Å; I77-Y88 HydrophobicContact CG2-CD1 3.51Å; I77-Y88 HydrophobicContact CG2-CD2 4.47Å; I77-Y88 HydrophobicContact CG2-CE1 3.1Å; I77-Y88 HydrophobicContact CG2-CE2 4.14Å; I77-Y88 HydrophobicContact CG2-CG 4.18Å; I77-Y88 VanDerWaalsContact CG2-CZ 3.44Å; P83-Y88 HydrophobicContact CG-CD1 4.01Å; P83-Y88 HydrophobicContact CG-CE1 4.08Å
89R86.7Confident79.1Confident152 Ų15276.9 Ų76.957%0.57436%0.36SS*.EExtended strand (participates in β ladder)trans-109.4130179.6-59.5-171.5-175.9145.77.5110.7E8 A54E8-R89 HydrophobicContact CB-CG 4.24Å; E8-R89 WeakPolarHBondContact O-CA 3.47Å; E8-R89 WeakPolarHBondContact OE1-CD 3.41Å; E8-R89 WeakPolarHBondContact OE1-CG 3.39Å; E8-R89 IonicContact OE1-NE 2.82Å; E8-R89 PolarHBondContact OE1-NE 3.4Å; A54-R89 HydrophobicContact CB-CB 3.88Å; A54-R89 VanDerWaalsContact CB-O 3.32Å; A54-R89 WeakPolarHBondContact CB-O 3.38Å; A54-R89 PolarHBondContact N-O 2.82Å
90F91.1Very high79.9Confident6 Ų674.3 Ų74.33%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-124.9151.2171-71.5-91.8000109.8L7 E8 L9 T10 R53 I76 I77L7-F90 HydrophobicContact CD2-CD2 4.03Å; L7-F90 HydrophobicContact CD2-CE2 3.83Å; E8-F90 PolarHBondContact O-N 2.93Å; L9-F90 WeakPolarHBondContact CA-O 3.41Å; L9-F90 HydrophobicContact CD2-CB 3.69Å; L9-F90 HydrophobicContact CD2-CG 4.49Å; T10-F90 PolarHBondContact N-O 3.3Å; R53-F90 HydrophobicContact CG-CE1 4Å; I76-F90 HydrophobicContact CG2-CE1 3.39Å; I76-F90 HydrophobicContact CG2-CZ 3.7Å; I77-F90 HydrophobicContact CD1-CE2 4.41Å; I77-F90 HydrophobicContact CG1-CE2 3.96Å; I77-F90 HydrophobicContact CG1-CZ 3.71Å
91L92.6Very high80.7Confident19 Ų1977.3 Ų77.310%0.09935%0.353CS..EExtended strand (participates in β ladder)trans-97.2146.8166.8-52.2175.9000108.2T10 K12 F51 S52 A54T10-L91 HydrophobicContact CG2-CD2 4.49Å; T10-L91 CarbonylContact O-C 3.6Å; T10-L91 VanDerWaalsContact O-CA 3.26Å; T10-L91 WeakPolarHBondContact O-CA 3.35Å; K12-L91 HydrophobicContact CB-CB 4.18Å; K12-L91 HydrophobicContact CD-CD1 4.43Å; K12-L91 HydrophobicContact CG-CB 4.48Å; K12-L91 HydrophobicContact CG-CD1 4.22Å; F51-L91 CarbonylContact C-O 3.46Å; F51-L91 VanDerWaalsContact CA-O 3.32Å; F51-L91 WeakPolarHBondContact CA-O 3.41Å; S52-L91 PolarHBondContact N-O 2.82Å; S52-L91 PolarHBondContact O-N 2.88Å; A54-L91 HydrophobicContact CB-CG 4.42Å
92Y95Very high81.4Confident2 Ų276.6 Ų76.61%0.00834%0.344CS..EExtended strand (participates in β ladder)trans-125.4151.9167.875.6-88.9000110.2L9 T10 D11 K12 I21 T38 I42 I49 Q50L9-Y92 HydrophobicContact CB-CD1 3.99Å; L9-Y92 HydrophobicContact CB-CE1 4.42Å; T10-Y92 VanDerWaalsContact C-CD1 3.5Å; T10-Y92 VanDerWaalsContact O-CD1 3.31Å; T10-Y92 WeakPolarHBondContact O-CD1 3.46Å; T10-Y92 PolarHBondContact O-N 2.98Å; D11-Y92 HydrophobicContact CB-CE1 3.99Å; D11-Y92 HydrophobicContact CB-CE2 4.21Å; D11-Y92 VanDerWaalsContact N-CE1 3.31Å; K12-Y92 WeakPolarHBondContact CB-O 3.36Å; K12-Y92 PolarHBondContact N-O 3Å; I21-Y92 HydrophobicContact CD1-CE1 4.16Å; T38-Y92 HydrophobicContact CG2-CG 4.5Å; I42-Y92 HydrophobicContact CD1-CD2 4.19Å; I42-Y92 HydrophobicContact CD1-CE2 3.78Å; I42-Y92 HydrophobicContact CG2-CE2 4.25Å; I49-Y92 HydrophobicContact CG2-CD2 4.43Å; Q50-Y92 CarbonylContact O-C 3.56Å; Q50-Y92 WeakPolarHBondContact O-CA 3.45Å
93Q93.8Very high82.1Confident33 Ų3369.6 Ų69.615%0.15432%0.32CS..EExtended strand (participates in β ladder)trans-137.3144.8171.465.4179.119.400110.8K12 Q50 M95K12-Q93 HydrophobicContact CB-CB 4.22Å; Q50-Q93 HydrophobicContact CB-CG 3.87Å; Q50-Q93 PolarHBondContact N-O 2.81Å; Q50-Q93 PolarHBondContact O-N 3.15Å; Q93-M95 HydrophobicContact CG-SD 3.77Å; Q93-M95 PolarHBondContact NE2-SD 3.18Å
94R94.3Very high83Confident91 Ų9172.9 Ų72.934%0.34334%0.335SS..EExtended strand (participates in β ladder)trans-76.9125.1172.8-67.5179.2-172.1723.6109.2D11 I42 Y44D11-R94 IonicContact OD2-CZ 3.06Å; D11-R94 IonicContact OD2-NH1 2.8Å; D11-R94 PolarHBondContact OD2-NH1 2.91Å; I42-R94 HydrophobicContact CD1-CG 4.47Å; Y44-R94 HydrophobicContact CD1-CB 4.38Å; Y44-R94 HydrophobicContact CD1-CG 3.97Å; Y44-R94 HydrophobicContact CD2-CG 4.41Å; Y44-R94 HydrophobicContact CE1-CB 3.79Å; Y44-R94 HydrophobicContact CE1-CG 3.89Å; Y44-R94 HydrophobicContact CE2-CB 4.46Å; Y44-R94 HydrophobicContact CE2-CG 4.37Å; Y44-R94 HydrophobicContact CG-CG 4.23Å
95M92.1Very high84.2Confident33 Ų3364.6 Ų64.616%0.16330%0.304CS..  trans-101.2143177.4-57.9-60.3-67.600109.8Y44 K48 Q50 Q93 H97 I99Y44-M95 PolarHBondContact OH-O 2.79Å; K48-M95 WeakPolarHBondContact CB-O 3.5Å; K48-M95 WeakPolarHBondContact O-CA 3.47Å; K48-M95 VanDerWaalsContact O-CB 3.29Å; K48-M95 WeakPolarHBondContact O-CB 3.34Å; K48-M95 PolarHBondContact O-N 2.76Å; Q50-M95 HydrophobicContact CB-CG 3.75Å; Q50-M95 HydrophobicContact CB-SD 3.91Å; Q93-M95 HydrophobicContact CG-SD 3.77Å; Q93-M95 PolarHBondContact NE2-SD 3.18Å; M95-H97 VanDerWaalsContact C-N 3.29Å; M95-H97 WeakPolarHBondContact CB-O 3.4Å; M95-H97 PolarHBondContact O-N 2.81Å; M95-I99 HydrophobicContact CB-CG2 3.97Å; M95-I99 HydrophobicContact CG-CG2 3.55Å
96P87.5Confident85.3Confident85 Ų8565.9 Ų65.955%0.55230%0.299SS*.SBendtrans-69.1-30.3175.723.7-30.3000112.5K48K48-P96 PolarHBondContact NZ-O 2.84Å
97H86.1Confident86.7Confident120 Ų12062.7 Ų62.756%0.55628%0.284SS*.SBendtrans-117.2160.7-176.9-49.5102.3000111.5M95 I99 L102M95-H97 VanDerWaalsContact C-N 3.29Å; M95-H97 WeakPolarHBondContact CB-O 3.4Å; M95-H97 PolarHBondContact O-N 2.81Å; H97-I99 PolarHBondContact O-N 3.5Å; H97-L102 HydrophobicContact CB-CD1 4.16Å; H97-L102 HydrophobicContact CB-CG 4.41Å
98R90.3Very high87.6Confident62 Ų6259.6 Ų59.623%0.23427%0.274CS..  trans-66.3123.5178-77.5178.361.284.48.6110.6F47 K48 D100 E101 L102F47-R98 HydrophobicContact CB-CG 4.23Å; F47-R98 VanDerWaalsContact CB-CZ 3.48Å; F47-R98 VanDerWaalsContact CG-NH1 3.3Å; F47-R98 VanDerWaalsContact CG-NH2 3.29Å; F47-R98 CarbonylContact O-C 3.49Å; F47-R98 VanDerWaalsContact O-CA 3.25Å; F47-R98 WeakPolarHBondContact O-CA 3.5Å; K48-R98 HydrophobicContact CG-CG 4.15Å; R98-D100 WeakPolarHBondContact CB-OD1 3.48Å; R98-D100 IonicContact CZ-OD1 2.71Å; R98-D100 IonicContact CZ-OD2 2.81Å; R98-D100 IonicContact NE-OD1 3.82Å; R98-D100 IonicContact NE-OD2 3.08Å; R98-D100 VanDerWaalsContact NH2-CG 3.34Å; R98-D100 IonicContact NH2-OD1 3.78Å; R98-D100 PolarHBondContact NH2-OD1 2.66Å; R98-D100 IonicContact NH2-OD2 2.65Å; R98-D100 PolarHBondContact NH2-OD2 2.79Å; R98-E101 HydrophobicContact CB-CB 4.19Å; R98-E101 HydrophobicContact CB-CG 3.99Å; R98-E101 WeakPolarHBondContact CD-OE1 3.34Å; R98-E101 IonicContact NE-OE1 3.76Å; R98-E101 PolarHBondContact NE-OE1 3.16Å; R98-L102 WeakPolarHBondContact O-CG 3.4Å; R98-L102 PolarHBondContact O-N 2.81Å; R98-L102 VanDerWaalsContact O-N 3.13Å
99I88.5Confident88.1Confident4 Ų467.2 Ų67.22%0.02130%0.303CS..Hα-helixtrans-76.4-28.6-173.854.9155.3000113.1Y31 F47 I49 Q50 F67 M95 H97 E101 L102 E103Y31-I99 HydrophobicContact CE1-CD1 3.53Å; Y31-I99 WeakPolarHBondContact OH-CD1 3.28Å; F47-I99 WeakPolarHBondContact O-CG1 3.4Å; F47-I99 PolarHBondContact O-N 2.89Å; I49-I99 WeakPolarHBondContact O-CD1 3.38Å; Q50-I99 HydrophobicContact CB-CG2 4.27Å; F67-I99 HydrophobicContact CB-CD1 4.16Å; F67-I99 HydrophobicContact CD2-CD1 3.76Å; F67-I99 HydrophobicContact CD2-CG1 4.21Å; F67-I99 HydrophobicContact CG-CD1 4.34Å; M95-I99 HydrophobicContact CB-CG2 3.97Å; M95-I99 HydrophobicContact CG-CG2 3.55Å; H97-I99 PolarHBondContact O-N 3.5Å; I99-E101 VanDerWaalsContact C-N 3.32Å; I99-L102 PolarHBondContact O-N 3.31Å; I99-E103 WeakPolarHBondContact O-CB 3.31Å; I99-E103 VanDerWaalsContact O-CG 3.26Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3.32Å
100D85.5Confident88.5Confident9 Ų960.1 Ų60.15%0.04828%0.276CS..Hα-helixtrans-65.4-40.4174.460.2-46000110.4F47 F67 Y69 R98 L104F47-D100 HydrophobicContact CD1-CB 4.35Å; F67-D100 HydrophobicContact CD1-CB 3.54Å; F67-D100 HydrophobicContact CD2-CB 4.32Å; F67-D100 HydrophobicContact CE1-CB 3.34Å; F67-D100 HydrophobicContact CE2-CB 4.15Å; F67-D100 HydrophobicContact CG-CB 4.05Å; F67-D100 HydrophobicContact CZ-CB 3.68Å; Y69-D100 PolarHBondContact OH-OD2 2.96Å; R98-D100 WeakPolarHBondContact CB-OD1 3.48Å; R98-D100 IonicContact CZ-OD1 2.71Å; R98-D100 IonicContact CZ-OD2 2.81Å; R98-D100 IonicContact NE-OD1 3.82Å; R98-D100 IonicContact NE-OD2 3.08Å; R98-D100 VanDerWaalsContact NH2-CG 3.34Å; R98-D100 IonicContact NH2-OD1 3.78Å; R98-D100 PolarHBondContact NH2-OD1 2.66Å; R98-D100 IonicContact NH2-OD2 2.65Å; R98-D100 PolarHBondContact NH2-OD2 2.79Å; D100-L104 VanDerWaalsContact O-CG 3.24Å; D100-L104 WeakPolarHBondContact O-CG 3.31Å; D100-L104 PolarHBondContact O-N 2.89Å
101E82.8Confident88.9Confident88 Ų8862 Ų6241%0.41129%0.285SS..Hα-helixtrans-67-43.8173.1-66.1174.7-169.200112.2R98 I99 E103 L104 R105R98-E101 HydrophobicContact CB-CB 4.19Å; R98-E101 HydrophobicContact CB-CG 3.99Å; R98-E101 WeakPolarHBondContact CD-OE1 3.34Å; R98-E101 IonicContact NE-OE1 3.76Å; R98-E101 PolarHBondContact NE-OE1 3.16Å; I99-E101 VanDerWaalsContact C-N 3.32Å; E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.61Å; E101-L104 PolarHBondContact O-N 2.77Å; E101-R105 WeakPolarHBondContact O-CG 3.39Å; E101-R105 PolarHBondContact O-N 3.34Å
102L78.3Confident89.1Confident77 Ų7761.9 Ų61.940%0.40328%0.284SS..Hα-helixtrans-61.4-40.1178.3-72.1174000112.2H97 R98 I99 L104 R105H97-L102 HydrophobicContact CB-CD1 4.16Å; H97-L102 HydrophobicContact CB-CG 4.41Å; R98-L102 WeakPolarHBondContact O-CG 3.4Å; R98-L102 PolarHBondContact O-N 2.81Å; R98-L102 VanDerWaalsContact O-N 3.13Å; I99-L102 PolarHBondContact O-N 3.31Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 PolarHBondContact O-N 3.07Å; L102-R105 PolarHBondContact O-N 3.18Å; L102-R105 VanDerWaalsContact O-N 3.14Å
103E77.1Confident89.2Confident51 Ų5162.4 Ų62.424%0.23829%0.287CS..Hα-helixtrans-71.2-25.4-179.8-74.4-72.1-177.300113K66 F67 I99 E101 R105 R128K66-E103 WeakPolarHBondContact CE-OE2 3.29Å; K66-E103 HydrophobicContact CG-CG 4.39Å; K66-E103 WeakPolarHBondContact CG-OE2 3.21Å; F67-E103 HydrophobicContact CB-CB 4.38Å; F67-E103 HydrophobicContact CB-CG 3.92Å; I99-E103 WeakPolarHBondContact O-CB 3.31Å; I99-E103 VanDerWaalsContact O-CG 3.26Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3.32Å; E101-E103 VanDerWaalsContact C-N 3.32Å; E101-E103 PolarHBondContact O-N 2.61Å; E103-R105 VanDerWaalsContact C-N 3.31Å; E103-R128 VanDerWaalsContact O-CZ 3.25Å; E103-R128 PolarHBondContact O-NE 3.06Å; E103-R128 PolarHBondContact O-NH2 3.12Å; E103-R128 IonicContact OE2-NH2 2.72Å
104L79.3Confident89Confident102 Ų10263.5 Ų63.553%0.53429%0.293SS..Hα-helixtrans-78.2-16.9171.9-68.5172.4000112.8D100 E101 L102 E127 R128D100-L104 VanDerWaalsContact O-CG 3.24Å; D100-L104 WeakPolarHBondContact O-CG 3.31Å; D100-L104 PolarHBondContact O-N 2.89Å; E101-L104 PolarHBondContact O-N 2.77Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 PolarHBondContact O-N 3.07Å; L104-E127 CarbonylContact O-C 3.57Å; L104-E127 WeakPolarHBondContact O-CA 3.42Å; L104-R128 WeakPolarHBondContact O-CG 3.4Å; L104-R128 PolarHBondContact O-N 3.44Å
105R85.4Confident88.7Confident96 Ų9663 Ų6336%0.36231%0.309SS..EExtended strand (participates in β ladder)trans-92.2156.9176.6-67.5178.4-173.6-140.77.6111.9E101 L102 E103 Y125 V126 E138E101-R105 WeakPolarHBondContact O-CG 3.39Å; E101-R105 PolarHBondContact O-N 3.34Å; L102-R105 PolarHBondContact O-N 3.18Å; L102-R105 VanDerWaalsContact O-N 3.14Å; E103-R105 VanDerWaalsContact C-N 3.31Å; R105-Y125 PolarHBondContact NH1-O 3.32Å; R105-V126 CarbonylContact C-O 3.52Å; R105-V126 WeakPolarHBondContact CA-O 3.43Å; R105-E138 IonicContact NH1-OE1 3.81Å
106Q86.5Confident88.4Confident69 Ų6969 Ų6932%0.32233%0.334SS..EExtended strand (participates in β ladder)trans-132.1150170.365.3-179.8-2000110V108 Y125 V126 R128 L173Q106-V108 HydrophobicContact CG-CG2 4.12Å; Q106-Y125 WeakPolarHBondContact O-CA 3.4Å; Q106-V126 PolarHBondContact N-O 3.24Å; Q106-V126 PolarHBondContact O-N 3.45Å; Q106-V126 VanDerWaalsContact O-N 3.16Å; Q106-R128 HydrophobicContact CB-CG 4.2Å; Q106-R128 HydrophobicContact CG-CG 4.45Å; Q106-R128 PolarHBondContact NE2-O 3.04Å; Q106-L173 HydrophobicContact CG-CD2 4.32Å
107Q89.8Confident88.7Confident105 Ų10566.1 Ų66.149%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-78.2128173.8-169.2-174.5-12.500109.4I123 Y125Q107-I123 HydrophobicContact CG-CG2 3.35Å; Q107-I123 VanDerWaalsContact NE2-CD1 3.29Å; Q107-Y125 HydrophobicContact CB-CD1 4.38Å; Q107-Y125 HydrophobicContact CB-CE1 4.09Å; Q107-Y125 HydrophobicContact CG-CE1 4.1Å
108V92.6Very high89Confident15 Ų1566.1 Ų66.19%0.09131%0.314CS..EExtended strand (participates in β ladder)trans-122.8131.5175.9-172.90000108.8Q106 V110 V124 V126 L173 L182Q106-V108 HydrophobicContact CG-CG2 4.12Å; V108-V110 HydrophobicContact CB-CG2 4.48Å; V108-V110 HydrophobicContact CG1-CG2 3.83Å; V108-V124 HydrophobicContact CB-CG2 3.91Å; V108-V124 PolarHBondContact N-O 2.99Å; V108-V124 PolarHBondContact O-N 3.3Å; V108-V126 HydrophobicContact CG2-CG2 3.54Å; V108-L173 HydrophobicContact CG1-CD1 4.25Å; V108-L173 HydrophobicContact CG2-CD1 4.42Å; V108-L173 HydrophobicContact CG2-CD2 3.45Å; V108-L173 VanDerWaalsContact CG2-CD2 3.45Å; V108-L182 HydrophobicContact CG1-CD1 4.13Å
109R94.4Very high89.3Confident192 Ų19265.7 Ų65.773%0.72532%0.318SS*.EExtended strand (participates in β ladder)trans-87.9128.3171.2-66.2-176.6-178.1-173.9-0.5108.9L122 I123R109-L122 WeakPolarHBondContact CA-O 3.42Å; R109-I123 HydrophobicContact CG-CG1 4.42Å
110V96.8Very high89.6Confident4 Ų470 Ų702%0.02434%0.338CS..EExtended strand (participates in β ladder)trans-136.3143.3-176.9-179.60000108.4V108 L122 V124 I135 V139 L182 V184V108-V110 HydrophobicContact CB-CG2 4.48Å; V108-V110 HydrophobicContact CG1-CG2 3.83Å; V110-L122 PolarHBondContact N-O 2.81Å; V110-L122 PolarHBondContact O-N 2.78Å; V110-V124 HydrophobicContact CG2-CG2 3.89Å; V110-I135 HydrophobicContact CG1-CG2 4.29Å; V110-I135 HydrophobicContact CG2-CG2 3.81Å; V110-V139 HydrophobicContact CG1-CG2 4.24Å; V110-L182 HydrophobicContact CG1-CB 4.44Å; V110-L182 HydrophobicContact CG2-CB 4.4Å; V110-V184 HydrophobicContact CG1-CB 4.26Å; V110-V184 HydrophobicContact CG1-CG2 3.67Å
111Q97.7Very high90.1Very high45 Ų4576.7 Ų76.721%0.2137%0.37CS..EExtended strand (participates in β ladder)trans-88133.5169.2-71.8177.9-6.400109.1V119 E120 E121 L182 R183 V184Q111-V119 HydrophobicContact CB-CG1 3.72Å; Q111-V119 HydrophobicContact CG-CG1 3.86Å; Q111-E120 CarbonylContact C-O 3.47Å; Q111-E120 WeakPolarHBondContact CA-O 3.2Å; Q111-E121 HydrophobicContact CG-CG 4.49Å; Q111-L182 PolarHBondContact N-O 3.27Å; Q111-R183 HydrophobicContact CB-CB 3.98Å; Q111-R183 HydrophobicContact CB-CG 3.77Å; Q111-R183 CarbonylContact O-C 3.55Å; Q111-R183 VanDerWaalsContact O-CA 3.24Å; Q111-R183 WeakPolarHBondContact O-CA 3.36Å; Q111-V184 PolarHBondContact O-N 3.43Å
112F97.7Very high90.6Very high16 Ų1673.6 Ų73.67%0.0736%0.355CS..EExtended strand (participates in β ladder)trans-104.9131.8165.4177.3-110000109.2V119 E120 L122 V139 V143 L145 F153 V184F112-V119 VanDerWaalsContact O-CA 3.3Å; F112-V119 WeakPolarHBondContact O-CA 3.43Å; F112-E120 HydrophobicContact CB-CG 3.94Å; F112-E120 HydrophobicContact CD1-CG 4.15Å; F112-E120 WeakPolarHBondContact CD1-OE1 3.15Å; F112-E120 PolarHBondContact N-O 2.81Å; F112-E120 PolarHBondContact O-N 2.72Å; F112-L122 HydrophobicContact CB-CD1 3.61Å; F112-L122 HydrophobicContact CB-CG 4.18Å; F112-L122 HydrophobicContact CG-CD1 4.36Å; F112-V139 HydrophobicContact CB-CG1 4.33Å; F112-V139 HydrophobicContact CD2-CG1 3.65Å; F112-V139 HydrophobicContact CE2-CG1 4.31Å; F112-V139 HydrophobicContact CG-CG1 4.2Å; F112-V143 HydrophobicContact CB-CG1 4.44Å; F112-V143 HydrophobicContact CD1-CB 4.21Å; F112-V143 HydrophobicContact CD1-CG1 3.69Å; F112-V143 HydrophobicContact CD2-CG1 4.29Å; F112-V143 HydrophobicContact CE1-CB 3.92Å; F112-V143 HydrophobicContact CE1-CG1 3.93Å; F112-V143 HydrophobicContact CE1-CG2 4.16Å; F112-V143 HydrophobicContact CE2-CG2 4.02Å; F112-V143 HydrophobicContact CG-CG1 3.87Å; F112-V143 HydrophobicContact CZ-CB 4.12Å; F112-V143 HydrophobicContact CZ-CG1 4.34Å; F112-V143 HydrophobicContact CZ-CG2 3.82Å; F112-L145 HydrophobicContact CE2-CD2 4.5Å; F112-L145 HydrophobicContact CZ-CD2 3.95Å; F112-F153 HydrophobicContact CE2-CE1 4.11Å; F112-V184 WeakPolarHBondContact CA-O 3.38Å; F112-V184 HydrophobicContact CD2-CB 4.49Å; F112-V184 HydrophobicContact CD2-CG1 4.26Å
113M96.1Very high91.3Very high13 Ų1373.2 Ų73.26%0.06435%0.353CS..EExtended strand (participates in β ladder)trans-116.5128.1176.7-171.2-178.276.300111.5L117 H118 V119 R183 V184 E185 V217M113-L117 HydrophobicContact CE-CD2 3.81Å; M113-L117 HydrophobicContact SD-CD2 3.72Å; M113-H118 VanDerWaalsContact CA-O 3.26Å; M113-H118 WeakPolarHBondContact CA-O 3.3Å; M113-V119 HydrophobicContact CB-CG2 4.14Å; M113-V119 HydrophobicContact CG-CG2 3.92Å; M113-V119 HydrophobicContact SD-CG2 4.39Å; M113-R183 HydrophobicContact CB-CG 4.2Å; M113-R183 VanDerWaalsContact SD-CZ 3.52Å; M113-V184 PolarHBondContact N-O 3.16Å; M113-E185 HydrophobicContact CB-CB 4.13Å; M113-E185 HydrophobicContact CE-CB 3.95Å; M113-E185 HydrophobicContact CE-CG 4.4Å; M113-E185 VanDerWaalsContact CE-OE2 3.22Å; M113-E185 WeakPolarHBondContact CE-OE2 3.43Å; M113-V217 HydrophobicContact SD-CG1 3.73Å
114D90.7Very high92.1Very high56 Ų5670.8 Ų70.830%0.29934%0.342SS..  trans-82.7176175.879.62.7000112.6K116 L117 H118D114-K116 PolarHBondContact O-N 3.23Å; D114-K116 VanDerWaalsContact OD1-CA 3.26Å; D114-K116 WeakPolarHBondContact OD1-CA 3.47Å; D114-K116 WeakPolarHBondContact OD1-CB 3.45Å; D114-K116 PolarHBondContact OD1-N 2.75Å; D114-L117 PolarHBondContact O-N 3.22Å; D114-L117 VanDerWaalsContact O-N 3.15Å; D114-L117 PolarHBondContact OD1-N 2.94Å; D114-H118 PolarHBondContact N-O 3.02Å; D114-H118 IonicContact OD1-CG 3.02Å; D114-H118 PolarHBondContact OD1-N 3.1Å; D114-H118 IonicContact OD1-ND1 2.94Å; D114-H118 PolarHBondContact OD1-ND1 2.99Å; D114-H118 IonicContact OD2-CG 2.72Å; D114-H118 IonicContact OD2-ND1 3.58Å; D114-H118 PolarHBondContact OD2-ND1 2.97Å
115A86.7Confident92.6Very high82 Ų8271.5 Ų71.568%0.67834%0.338SS*.THydrogen-bonded Turntrans-66.1-13.6178.300000114.4
116K87.5Confident92.9Very high157 Ų15767.1 Ų67.168%0.68332%0.322SS*.THydrogen-bonded Turntrans-100.713.1177.5-64.2-178.4-1791790112.2D114 H118D114-K116 PolarHBondContact O-N 3.23Å; D114-K116 VanDerWaalsContact OD1-CA 3.26Å; D114-K116 WeakPolarHBondContact OD1-CA 3.47Å; D114-K116 WeakPolarHBondContact OD1-CB 3.45Å; D114-K116 PolarHBondContact OD1-N 2.75Å; K116-H118 WeakPolarHBondContact CB-ND1 3.3Å; K116-H118 PolarHBondContact O-N 2.99Å
117L93Very high92.9Very high25 Ų2569.4 Ų69.413%0.13133%0.333CS..  trans63.617.2-177.7-51.3-180000114.7M113 D114 V217 F219 L239 L240M113-L117 HydrophobicContact CE-CD2 3.81Å; M113-L117 HydrophobicContact SD-CD2 3.72Å; D114-L117 PolarHBondContact O-N 3.22Å; D114-L117 VanDerWaalsContact O-N 3.15Å; D114-L117 PolarHBondContact OD1-N 2.94Å; L117-V217 HydrophobicContact CB-CG1 4.48Å; L117-F219 HydrophobicContact CD1-CD1 4.01Å; L117-F219 HydrophobicContact CD1-CG 4.28Å; L117-F219 HydrophobicContact CD2-CB 3.9Å; L117-F219 HydrophobicContact CD2-CG 4.45Å; L117-L239 HydrophobicContact CD1-CD1 4.35Å; L117-L239 HydrophobicContact CD1-CD2 4.2Å; L117-L239 HydrophobicContact CD1-CG 3.86Å; L117-L239 HydrophobicContact CD2-CD1 4.35Å; L117-L239 HydrophobicContact CG-CD1 4.19Å; L117-L239 HydrophobicContact CG-CG 4.25Å; L117-L240 HydrophobicContact CD1-CD2 3.89Å
118H92.9Very high92.5Very high120 Ų12069.4 Ų69.456%0.55633%0.328SS*.  trans-72.2134.8167.6-58.5102.2000109.1M113 D114 K116M113-H118 VanDerWaalsContact CA-O 3.26Å; M113-H118 WeakPolarHBondContact CA-O 3.3Å; D114-H118 PolarHBondContact N-O 3.02Å; D114-H118 IonicContact OD1-CG 3.02Å; D114-H118 PolarHBondContact OD1-N 3.1Å; D114-H118 IonicContact OD1-ND1 2.94Å; D114-H118 PolarHBondContact OD1-ND1 2.99Å; D114-H118 IonicContact OD2-CG 2.72Å; D114-H118 IonicContact OD2-ND1 3.58Å; D114-H118 PolarHBondContact OD2-ND1 2.97Å; K116-H118 WeakPolarHBondContact CB-ND1 3.3Å; K116-H118 PolarHBondContact O-N 2.99Å
119V95.6Very high92Very high54 Ų5472.8 Ų72.833%0.32735%0.352SS..EExtended strand (participates in β ladder)trans-116.4124.9179.8-179.10000109.2Q111 F112 M113 V217Q111-V119 HydrophobicContact CB-CG1 3.72Å; Q111-V119 HydrophobicContact CG-CG1 3.86Å; F112-V119 VanDerWaalsContact O-CA 3.3Å; F112-V119 WeakPolarHBondContact O-CA 3.43Å; M113-V119 HydrophobicContact CB-CG2 4.14Å; M113-V119 HydrophobicContact CG-CG2 3.92Å; M113-V119 HydrophobicContact SD-CG2 4.39Å; V119-V217 HydrophobicContact CG2-CB 4.5Å; V119-V217 HydrophobicContact CG2-CG1 3.71Å; V119-V217 HydrophobicContact CG2-CG2 3.9Å
120E94.6Very high91.5Very high93 Ų9363.8 Ų63.844%0.43532%0.319SS..EExtended strand (participates in β ladder)trans-113.1149.6169.763.9-178.8-172.900110.8Q111 F112 L122Q111-E120 CarbonylContact C-O 3.47Å; Q111-E120 WeakPolarHBondContact CA-O 3.2Å; F112-E120 HydrophobicContact CB-CG 3.94Å; F112-E120 HydrophobicContact CD1-CG 4.15Å; F112-E120 WeakPolarHBondContact CD1-OE1 3.15Å; F112-E120 PolarHBondContact N-O 2.81Å; F112-E120 PolarHBondContact O-N 2.72Å; E120-L122 HydrophobicContact CG-CD2 4.21Å; E120-L122 HydrophobicContact CG-CG 4.33Å
121E96Very high91.4Very high151 Ų15166.9 Ų66.971%0.70634%0.335SS*.EExtended strand (participates in β ladder)trans-94.3123.8174.3-69-169.416200109.9Q111Q111-E121 HydrophobicContact CG-CG 4.49Å
122L94.5Very high91.3Very high22 Ų2264.8 Ų64.812%0.11533%0.325CS..EExtended strand (participates in β ladder)trans-112.3153177.6-58.9-179.7000110.9R109 V110 F112 E120 V139 V143R109-L122 WeakPolarHBondContact CA-O 3.42Å; V110-L122 PolarHBondContact N-O 2.81Å; V110-L122 PolarHBondContact O-N 2.78Å; F112-L122 HydrophobicContact CB-CD1 3.61Å; F112-L122 HydrophobicContact CB-CG 4.18Å; F112-L122 HydrophobicContact CG-CD1 4.36Å; E120-L122 HydrophobicContact CG-CD2 4.21Å; E120-L122 HydrophobicContact CG-CG 4.33Å; L122-V139 HydrophobicContact CD1-CG1 3.92Å; L122-V139 HydrophobicContact CD1-CG2 4.29Å; L122-V143 HydrophobicContact CD1-CG1 3.6Å
123I93.3Very high91.3Very high70 Ų7069.9 Ų69.936%0.35935%0.347SS..EExtended strand (participates in β ladder)trans-113118.5170.8-72.7163.9000107.6Q107 R109 Y125 Q142Q107-I123 HydrophobicContact CG-CG2 3.35Å; Q107-I123 VanDerWaalsContact NE2-CD1 3.29Å; R109-I123 HydrophobicContact CG-CG1 4.42Å; I123-Y125 HydrophobicContact CG2-CE2 3.92Å; I123-Q142 PolarHBondContact O-NE2 3.15Å; I123-Q142 VanDerWaalsContact O-NE2 3.13Å; I123-Q142 PolarHBondContact O-OE1 3.25Å
124V92.9Very high91.2Very high0 Ų071.5 Ų71.50%036%0.36CS..EExtended strand (participates in β ladder)trans-114.5153.7176.6-60.70000111.2V108 V110 V126 I135 E138 V139V108-V124 HydrophobicContact CB-CG2 3.91Å; V108-V124 PolarHBondContact N-O 2.99Å; V108-V124 PolarHBondContact O-N 3.3Å; V110-V124 HydrophobicContact CG2-CG2 3.89Å; V124-V126 HydrophobicContact CG2-CG1 4.42Å; V124-I135 HydrophobicContact CG2-CG2 4.34Å; V124-E138 HydrophobicContact CB-CB 3.75Å; V124-E138 HydrophobicContact CB-CG 4.49Å; V124-E138 HydrophobicContact CG1-CB 3.83Å; V124-V139 HydrophobicContact CG1-CG2 3.75Å
125Y90.1Very high91.5Very high116 Ų11668.8 Ų68.846%0.45535%0.345SS..EExtended strand (participates in β ladder)trans-118.398.1-178.4-66-88.6000110.4R105 Q106 Q107 I123R105-Y125 PolarHBondContact NH1-O 3.32Å; Q106-Y125 WeakPolarHBondContact O-CA 3.4Å; Q107-Y125 HydrophobicContact CB-CD1 4.38Å; Q107-Y125 HydrophobicContact CB-CE1 4.09Å; Q107-Y125 HydrophobicContact CG-CE1 4.1Å; I123-Y125 HydrophobicContact CG2-CE2 3.92Å
126V91.6Very high91.9Very high4 Ų465.1 Ų65.12%0.02431%0.314CS..EExtended strand (participates in β ladder)trans-114.6160.6-177.6-64.70000111.1R105 Q106 V108 V124 I135 E138 L173R105-V126 CarbonylContact C-O 3.52Å; R105-V126 WeakPolarHBondContact CA-O 3.43Å; Q106-V126 PolarHBondContact N-O 3.24Å; Q106-V126 PolarHBondContact O-N 3.45Å; Q106-V126 VanDerWaalsContact O-N 3.16Å; V108-V126 HydrophobicContact CG2-CG2 3.54Å; V124-V126 HydrophobicContact CG2-CG1 4.42Å; V126-I135 HydrophobicContact CG1-CG1 3.91Å; V126-I135 HydrophobicContact CG2-CG1 4.27Å; V126-E138 HydrophobicContact CG1-CG 3.88Å; V126-L173 HydrophobicContact CG2-CD2 3.53Å
127E87.3Confident92.3Very high118 Ų11862.2 Ų62.255%0.55130%0.303SS*.EExtended strand (participates in β ladder)trans-57.4147.1173.4-64.5179.8166.100111.6L104 C129 G130L104-E127 CarbonylContact O-C 3.57Å; L104-E127 WeakPolarHBondContact O-CA 3.42Å; E127-C129 VanDerWaalsContact C-N 3.29Å; E127-C129 PolarHBondContact O-N 2.8Å; E127-G130 WeakPolarHBondContact O-CA 3.38Å; E127-G130 PolarHBondContact O-N 3.23Å
128R80.1Confident92.4Very high104 Ų10463.5 Ų63.539%0.39231%0.309SS..THydrogen-bonded Turntrans-56.5-41.6-177.4-72.8176.7-165.1-125.6-1.5113.1E103 L104 Q106 G130E103-R128 VanDerWaalsContact O-CZ 3.25Å; E103-R128 PolarHBondContact O-NE 3.06Å; E103-R128 PolarHBondContact O-NH2 3.12Å; E103-R128 IonicContact OE2-NH2 2.72Å; L104-R128 WeakPolarHBondContact O-CG 3.4Å; L104-R128 PolarHBondContact O-N 3.44Å; Q106-R128 HydrophobicContact CB-CG 4.2Å; Q106-R128 HydrophobicContact CG-CG 4.45Å; Q106-R128 PolarHBondContact NE2-O 3.04Å; R128-G130 VanDerWaalsContact C-N 3.31Å
129C81.7Confident92.5Very high87 Ų8757.8 Ų57.859%0.58828%0.282SS*.THydrogen-bonded Turntrans-98.727.1174.6-58.30000111.6E127E127-C129 VanDerWaalsContact C-N 3.29Å; E127-C129 PolarHBondContact O-N 2.8Å
130G85.3Confident92.5Very high3 Ų358.4 Ų58.43%0.03128%0.28CS..  trans-67.5158.3-177.200000113.3E127 R128 L173E127-G130 WeakPolarHBondContact O-CA 3.38Å; E127-G130 PolarHBondContact O-N 3.23Å; R128-G130 VanDerWaalsContact C-N 3.31Å; G130-L173 WeakPolarHBondContact O-CB 3.26Å; G130-L173 PolarHBondContact O-N 3.13Å
131L94.5Very high92.4Very high69 Ų6958.3 Ų58.336%0.36129%0.29SS..BIsolated β-bridgetrans-91158.6177-56.4172.2000110.8K133 S134 D170 H171 L172L131-K133 PolarHBondContact O-N 2.71Å; L131-S134 WeakPolarHBondContact O-CB 3.29Å; L131-S134 PolarHBondContact O-N 2.77Å; L131-D170 WeakPolarHBondContact CD2-O 3.33Å; L131-H171 WeakPolarHBondContact CA-O 3.24Å; L131-L172 HydrophobicContact CD2-CD2 3.71Å; L131-L172 HydrophobicContact CD2-CG 4.35Å
132M95.9Very high92.3Very high0 Ų055.2 Ų55.20%028%0.276CS..Hα-helixtrans-52.9-34.7171-71.8-53.6105.900112.6S134 I135 I136 I155 L167 P168 L169 H171 L173 V176 L182M132-S134 VanDerWaalsContact C-N 3.27Å; M132-S134 PolarHBondContact O-N 3.05Å; M132-I135 HydrophobicContact CE-CD1 3.76Å; M132-I135 WeakPolarHBondContact O-CB 3.26Å; M132-I135 PolarHBondContact O-N 2.8Å; M132-I135 VanDerWaalsContact O-N 3.11Å; M132-I135 HydrophobicContact SD-CD1 3.94Å; M132-I136 PolarHBondContact O-N 3.16Å; M132-I155 HydrophobicContact CB-CD1 3.74Å; M132-I155 HydrophobicContact CG-CD1 4.28Å; M132-I155 WeakPolarHBondContact O-CD1 3.28Å; M132-I155 HydrophobicContact SD-CD1 3.94Å; M132-I155 HydrophobicContact SD-CG2 4.01Å; M132-L167 HydrophobicContact CG-CB 4.11Å; M132-L167 HydrophobicContact CG-CD1 4.16Å; M132-L167 HydrophobicContact SD-CD1 3.71Å; M132-P168 WeakPolarHBondContact CB-O 3.26Å; M132-L169 PolarHBondContact N-O 2.8Å; M132-H171 HydrophobicContact CG-CB 3.82Å; M132-H171 WeakPolarHBondContact CG-O 3.22Å; M132-H171 PolarHBondContact N-O 2.91Å; M132-L173 VanDerWaalsContact CE-CA 3.41Å; M132-L173 HydrophobicContact CE-CB 3.83Å; M132-L173 HydrophobicContact CE-CD1 4.05Å; M132-V176 HydrophobicContact CE-CG2 3.84Å; M132-V176 HydrophobicContact SD-CG2 4.48Å; M132-L182 HydrophobicContact SD-CD2 4.18Å
133K96.4Very high92.2Very high123 Ų12354.8 Ų54.854%0.53527%0.274SS..Hα-helixtrans-54-41.9173.2-173.2179.1176.5-177.70112.7L131 I135 I136 E137 L169L131-K133 PolarHBondContact O-N 2.71Å; K133-I135 VanDerWaalsContact C-N 3.29Å; K133-I135 PolarHBondContact O-N 3.04Å; K133-I136 PolarHBondContact O-N 3.23Å; K133-E137 PolarHBondContact O-N 2.79Å; K133-E137 VanDerWaalsContact O-N 3.15Å; K133-L169 HydrophobicContact CB-CB 4.26Å; K133-L169 WeakPolarHBondContact CB-O 3.23Å; K133-L169 PolarHBondContact N-O 2.65Å
134S94.6Very high92.1Very high47 Ų4759.6 Ų59.633%0.32930%0.3SS..Hα-helixtrans-65.4-34.9-180-53.60000111.8L131 M132 E137 E138L131-S134 WeakPolarHBondContact O-CB 3.29Å; L131-S134 PolarHBondContact O-N 2.77Å; M132-S134 VanDerWaalsContact C-N 3.27Å; M132-S134 PolarHBondContact O-N 3.05Å; S134-E137 PolarHBondContact O-N 3.37Å; S134-E138 WeakPolarHBondContact O-CG 3.31Å; S134-E138 PolarHBondContact O-N 3.15Å; S134-E138 VanDerWaalsContact O-N 3.08Å
135I96.2Very high91.8Very high0 Ų061.1 Ų61.10%031%0.308CS..Hα-helixtrans-63.9-43.8174.6-64.9174.7000110.6V110 V124 V126 M132 K133 E137 E138 V139 I155 L173 L182 V184V110-I135 HydrophobicContact CG1-CG2 4.29Å; V110-I135 HydrophobicContact CG2-CG2 3.81Å; V124-I135 HydrophobicContact CG2-CG2 4.34Å; V126-I135 HydrophobicContact CG1-CG1 3.91Å; V126-I135 HydrophobicContact CG2-CG1 4.27Å; M132-I135 HydrophobicContact CE-CD1 3.76Å; M132-I135 WeakPolarHBondContact O-CB 3.26Å; M132-I135 PolarHBondContact O-N 2.8Å; M132-I135 VanDerWaalsContact O-N 3.11Å; M132-I135 HydrophobicContact SD-CD1 3.94Å; K133-I135 VanDerWaalsContact C-N 3.29Å; K133-I135 PolarHBondContact O-N 3.04Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 2.91Å; I135-E138 PolarHBondContact O-N 2.87Å; I135-V139 HydrophobicContact CG2-CG2 4.45Å; I135-V139 WeakPolarHBondContact O-CG2 3.41Å; I135-V139 PolarHBondContact O-N 2.58Å; I135-I155 HydrophobicContact CB-CD1 3.96Å; I135-I155 HydrophobicContact CG2-CD1 3.97Å; I135-L173 HydrophobicContact CD1-CD1 4.04Å; I135-L173 HydrophobicContact CD1-CD2 4.5Å; I135-L182 HydrophobicContact CD1-CD1 4.1Å; I135-V184 HydrophobicContact CG2-CG2 4.05Å
136I96.6Very high91.7Very high5 Ų558.2 Ų58.23%0.02630%0.303CS..Hα-helixtrans-60.6-44.8178.3-68.6-177.3000111.2M132 K133 V139 K140 F153 I155 L169 V184M132-I136 PolarHBondContact O-N 3.16Å; K133-I136 PolarHBondContact O-N 3.23Å; I136-V139 PolarHBondContact O-N 3.16Å; I136-K140 HydrophobicContact CG2-CD 3.99Å; I136-K140 VanDerWaalsContact CG2-CE 3.47Å; I136-K140 HydrophobicContact CG2-CG 4.3Å; I136-K140 WeakPolarHBondContact O-CB 3.48Å; I136-K140 VanDerWaalsContact O-CG 3.29Å; I136-K140 WeakPolarHBondContact O-CG 3.28Å; I136-K140 PolarHBondContact O-N 2.84Å; I136-F153 HydrophobicContact CD1-CB 3.94Å; I136-F153 HydrophobicContact CG1-CB 4.39Å; I136-F153 HydrophobicContact CG2-CB 3.73Å; I136-F153 HydrophobicContact CG2-CD2 4.36Å; I136-F153 HydrophobicContact CG2-CG 4.11Å; I136-I155 HydrophobicContact CD1-CD1 4.13Å; I136-I155 HydrophobicContact CD1-CG1 4.16Å; I136-I155 HydrophobicContact CG1-CD1 3.6Å; I136-I155 HydrophobicContact CG1-CG1 3.87Å; I136-L169 HydrophobicContact CD1-CD2 3.34Å; I136-V184 HydrophobicContact CG1-CG2 4.46Å
137E95.3Very high91.5Very high95 Ų9563.9 Ų63.944%0.44434%0.34SS..Hα-helixtrans-66.8-38.2-179.5-62.7-51.9132.600112.3K133 S134 I135 K140 S141K133-E137 PolarHBondContact O-N 2.79Å; K133-E137 VanDerWaalsContact O-N 3.15Å; S134-E137 PolarHBondContact O-N 3.37Å; I135-E137 VanDerWaalsContact C-N 3.35Å; I135-E137 PolarHBondContact O-N 2.91Å; E137-K140 PolarHBondContact O-N 2.77Å; E137-K140 IonicContact OE1-NZ 2.72Å; E137-K140 PolarHBondContact OE1-NZ 2.82Å; E137-K140 IonicContact OE2-NZ 3.15Å; E137-S141 PolarHBondContact O-N 2.97Å
138E94.6Very high91.7Very high53 Ų5364.1 Ų64.125%0.24835%0.346CS..Hα-helixtrans-66.2-37.9173-71.9-71.2144.100112.4R105 V124 V126 S134 I135 S141 Q142R105-E138 IonicContact NH1-OE1 3.81Å; V124-E138 HydrophobicContact CB-CB 3.75Å; V124-E138 HydrophobicContact CB-CG 4.49Å; V124-E138 HydrophobicContact CG1-CB 3.83Å; V126-E138 HydrophobicContact CG1-CG 3.88Å; S134-E138 WeakPolarHBondContact O-CG 3.31Å; S134-E138 PolarHBondContact O-N 3.15Å; S134-E138 VanDerWaalsContact O-N 3.08Å; I135-E138 PolarHBondContact O-N 2.87Å; E138-S141 PolarHBondContact O-N 3.33Å; E138-S141 PolarHBondContact O-OG 3.45Å; E138-Q142 WeakPolarHBondContact O-CG 3.29Å
139V96.1Very high92.2Very high0 Ų060.1 Ų60.10%034%0.337CS..Hα-helixtrans-67-46.3174.6169.10000110.9V110 F112 L122 V124 I135 I136 S141 Q142 V143 V184V110-V139 HydrophobicContact CG1-CG2 4.24Å; F112-V139 HydrophobicContact CB-CG1 4.33Å; F112-V139 HydrophobicContact CD2-CG1 3.65Å; F112-V139 HydrophobicContact CE2-CG1 4.31Å; F112-V139 HydrophobicContact CG-CG1 4.2Å; L122-V139 HydrophobicContact CD1-CG1 3.92Å; L122-V139 HydrophobicContact CD1-CG2 4.29Å; V124-V139 HydrophobicContact CG1-CG2 3.75Å; I135-V139 HydrophobicContact CG2-CG2 4.45Å; I135-V139 WeakPolarHBondContact O-CG2 3.41Å; I135-V139 PolarHBondContact O-N 2.58Å; I136-V139 PolarHBondContact O-N 3.16Å; V139-S141 PolarHBondContact O-N 3.01Å; V139-S141 VanDerWaalsContact O-N 3.14Å; V139-Q142 PolarHBondContact O-N 2.99Å; V139-V143 HydrophobicContact CG1-CG1 4.05Å; V139-V143 HydrophobicContact CG1-CG2 4.29Å; V139-V143 WeakPolarHBondContact O-CG2 3.46Å; V139-V143 PolarHBondContact O-N 3.1Å; V139-V184 HydrophobicContact CB-CG1 4.31Å; V139-V184 HydrophobicContact CB-CG2 4.45Å; V139-V184 HydrophobicContact CG1-CB 4.21Å; V139-V184 HydrophobicContact CG1-CG1 3.92Å; V139-V184 HydrophobicContact CG2-CB 4.35Å; V139-V184 HydrophobicContact CG2-CG2 3.98Å
140K94.3Very high92.8Very high66 Ų6656.9 Ų56.929%0.28732%0.315SS..Hα-helixtrans-56.5-30.1178.1-77.2172.3178.5171.80113.3I136 E137 Q142 F153I136-K140 HydrophobicContact CG2-CD 3.99Å; I136-K140 VanDerWaalsContact CG2-CE 3.47Å; I136-K140 HydrophobicContact CG2-CG 4.3Å; I136-K140 WeakPolarHBondContact O-CB 3.48Å; I136-K140 VanDerWaalsContact O-CG 3.29Å; I136-K140 WeakPolarHBondContact O-CG 3.28Å; I136-K140 PolarHBondContact O-N 2.84Å; E137-K140 PolarHBondContact O-N 2.77Å; E137-K140 IonicContact OE1-NZ 2.72Å; E137-K140 PolarHBondContact OE1-NZ 2.82Å; E137-K140 IonicContact OE2-NZ 3.15Å; K140-Q142 VanDerWaalsContact C-N 3.27Å; K140-F153 HydrophobicContact CD-CD2 4.28Å; K140-F153 HydrophobicContact CD-CE2 4.2Å; K140-F153 HydrophobicContact CG-CD2 4.28Å; K140-F153 HydrophobicContact CG-CE2 3.99Å; K140-F153 HydrophobicContact CG-CZ 4.22Å
141S93Very high93.1Very high91 Ų9162.2 Ų62.264%0.63633%0.334SS*.THydrogen-bonded Turntrans-77.1-1417878.20000113.6E137 E138 V139E137-S141 PolarHBondContact O-N 2.97Å; E138-S141 PolarHBondContact O-N 3.33Å; E138-S141 PolarHBondContact O-OG 3.45Å; V139-S141 PolarHBondContact O-N 3.01Å; V139-S141 VanDerWaalsContact O-N 3.14Å
142Q93.4Very high93.1Very high87 Ų8763.5 Ų63.541%0.40734%0.338SS..THydrogen-bonded Turntrans-107.1-13.5-177.1-64.3-174.933.200114I123 E138 V139 K140I123-Q142 PolarHBondContact O-NE2 3.15Å; I123-Q142 VanDerWaalsContact O-NE2 3.13Å; I123-Q142 PolarHBondContact O-OE1 3.25Å; E138-Q142 WeakPolarHBondContact O-CG 3.29Å; V139-Q142 PolarHBondContact O-N 2.99Å; K140-Q142 VanDerWaalsContact C-N 3.27Å
143V92.8Very high93.2Very high13 Ų1364.3 Ų64.38%0.07934%0.342CS..SBendtrans-116.6140.2-172-56.10000112.8F112 L122 V139 L145F112-V143 HydrophobicContact CB-CG1 4.44Å; F112-V143 HydrophobicContact CD1-CB 4.21Å; F112-V143 HydrophobicContact CD1-CG1 3.69Å; F112-V143 HydrophobicContact CD2-CG1 4.29Å; F112-V143 HydrophobicContact CE1-CB 3.92Å; F112-V143 HydrophobicContact CE1-CG1 3.93Å; F112-V143 HydrophobicContact CE1-CG2 4.16Å; F112-V143 HydrophobicContact CE2-CG2 4.02Å; F112-V143 HydrophobicContact CG-CG1 3.87Å; F112-V143 HydrophobicContact CZ-CB 4.12Å; F112-V143 HydrophobicContact CZ-CG1 4.34Å; F112-V143 HydrophobicContact CZ-CG2 3.82Å; L122-V143 HydrophobicContact CD1-CG1 3.6Å; V139-V143 HydrophobicContact CG1-CG1 4.05Å; V139-V143 HydrophobicContact CG1-CG2 4.29Å; V139-V143 WeakPolarHBondContact O-CG2 3.46Å; V139-V143 PolarHBondContact O-N 3.1Å; V143-L145 HydrophobicContact CG2-CD2 3.84Å; V143-L145 HydrophobicContact CG2-CG 4.03Å
144D90.7Very high93.2Very high171 Ų17159.2 Ų59.291%0.91432%0.319SS*.  trans-83.4117.7172.7-73.5-38.2000110.4
145L88.1Confident93.3Very high32 Ų3257 Ų5717%0.16830%0.304CS..  trans-105.4136.2-174.3-66170.6000111.5F112 V143 R151 F153F112-L145 HydrophobicContact CE2-CD2 4.5Å; F112-L145 HydrophobicContact CZ-CD2 3.95Å; V143-L145 HydrophobicContact CG2-CD2 3.84Å; V143-L145 HydrophobicContact CG2-CG 4.03Å; L145-R151 VanDerWaalsContact CB-CZ 3.46Å; L145-R151 PolarHBondContact O-NH2 2.91Å; L145-F153 HydrophobicContact CD1-CE1 4.45Å; L145-F153 HydrophobicContact CD1-CE2 4.11Å; L145-F153 HydrophobicContact CD1-CZ 3.48Å; L145-F153 VanDerWaalsContact CD1-CZ 3.48Å; L145-F153 HydrophobicContact CD2-CE1 3.87Å; L145-F153 HydrophobicContact CD2-CZ 3.58Å; L145-F153 HydrophobicContact CG-CZ 4.16Å
146P86.8Confident93.4Very high54 Ų5457 Ų5735%0.35130%0.304SS..  trans-62.7142.3179.527.9-34.8000111.3D148 G149 R151P146-D148 PolarHBondContact O-N 2.92Å; P146-G149 PolarHBondContact O-N 3.14Å; P146-R151 VanDerWaalsContact C-NH2 3.3Å; P146-R151 PolarHBondContact O-NE 2.93Å; P146-R151 PolarHBondContact O-NH2 3.31Å
147P88.7Confident93.4Very high123 Ų12357.1 Ų57.180%0.79930%0.304SS*.THydrogen-bonded Turntrans-63-27.1-173.625.2-34.2000113.6
148D91Very high93.4Very high124 Ų12453.3 Ų53.366%0.66329%0.287SS*.THydrogen-bonded Turntrans-97.96.4-177.660.9-28.2000114.1P146P146-D148 PolarHBondContact O-N 2.92Å
149G90.4Very high93.3Very high20 Ų2052.7 Ų52.721%0.20629%0.289CS..SBendtrans-65.7162.2172.600000113.2P146 R151 E186P146-G149 PolarHBondContact O-N 3.14Å; G149-R151 PolarHBondContact O-N 3.48Å; G149-E186 WeakPolarHBondContact CA-OE1 3.37Å
150S93.8Very high93.2Very high19 Ų1956.6 Ų56.613%0.13332%0.316CS..  trans-67.4-21.1179.872.50000113.8Q152 E186 I187S150-Q152 PolarHBondContact O-N 2.86Å; S150-Q152 PolarHBondContact OG-N 2.92Å; S150-Q152 VanDerWaalsContact OG-N 3.16Å; S150-Q152 PolarHBondContact OG-O 2.87Å; S150-E186 PolarHBondContact N-OE1 2.84Å; S150-I187 WeakPolarHBondContact CB-O 3.46Å; S150-I187 PolarHBondContact OG-O 3.29Å
151R92.3Very high93.2Very high115 Ų11557.8 Ų57.843%0.43432%0.322SS..  trans56.115.1-170.8-53.2-54.6-176.1138.4-12.5114.3L145 P146 G149 E186L145-R151 VanDerWaalsContact CB-CZ 3.46Å; L145-R151 PolarHBondContact O-NH2 2.91Å; P146-R151 VanDerWaalsContact C-NH2 3.3Å; P146-R151 PolarHBondContact O-NE 2.93Å; P146-R151 PolarHBondContact O-NH2 3.31Å; G149-R151 PolarHBondContact O-N 3.48Å; R151-E186 PolarHBondContact N-OE1 2.94Å
152Q94.9Very high93.2Very high96 Ų9657.7 Ų57.745%0.44931%0.308SS..  trans-107133.6174.3-66.7-178.655.400108.5S150 I187S150-Q152 PolarHBondContact O-N 2.86Å; S150-Q152 PolarHBondContact OG-N 2.92Å; S150-Q152 VanDerWaalsContact OG-N 3.16Å; S150-Q152 PolarHBondContact OG-O 2.87Å; Q152-I187 HydrophobicContact CB-CB 4.48Å; Q152-I187 HydrophobicContact CB-CD1 4.16Å; Q152-I187 PolarHBondContact O-N 3.06Å
153F96.4Very high93.3Very high17 Ų1754.2 Ų54.28%0.07529%0.292CS..EExtended strand (participates in β ladder)trans-123.2149.6-172.5-66.9-95.3000109.8F112 I136 K140 L145 V184 E185 E186F112-F153 HydrophobicContact CE2-CE1 4.11Å; I136-F153 HydrophobicContact CD1-CB 3.94Å; I136-F153 HydrophobicContact CG1-CB 4.39Å; I136-F153 HydrophobicContact CG2-CB 3.73Å; I136-F153 HydrophobicContact CG2-CD2 4.36Å; I136-F153 HydrophobicContact CG2-CG 4.11Å; K140-F153 HydrophobicContact CD-CD2 4.28Å; K140-F153 HydrophobicContact CD-CE2 4.2Å; K140-F153 HydrophobicContact CG-CD2 4.28Å; K140-F153 HydrophobicContact CG-CE2 3.99Å; K140-F153 HydrophobicContact CG-CZ 4.22Å; L145-F153 HydrophobicContact CD1-CE1 4.45Å; L145-F153 HydrophobicContact CD1-CE2 4.11Å; L145-F153 HydrophobicContact CD1-CZ 3.48Å; L145-F153 VanDerWaalsContact CD1-CZ 3.48Å; L145-F153 HydrophobicContact CD2-CE1 3.87Å; L145-F153 HydrophobicContact CD2-CZ 3.58Å; L145-F153 HydrophobicContact CG-CZ 4.16Å; F153-V184 HydrophobicContact CB-CG1 4.47Å; F153-V184 HydrophobicContact CD1-CG1 3.92Å; F153-E185 WeakPolarHBondContact CA-O 3.32Å; F153-E186 HydrophobicContact CD1-CB 4.18Å; F153-E186 HydrophobicContact CE1-CB 3.76Å; F153-E186 HydrophobicContact CE1-CG 4.29Å; F153-E186 HydrophobicContact CZ-CB 4.22Å; F153-E186 HydrophobicContact CZ-CG 4.27Å
154R97Very high93.2Very high16 Ų1656.2 Ų56.26%0.0630%0.304CS..EExtended strand (participates in β ladder)trans-127155.2169.263.4-179.8177.7-141.1-7.9110.2V156 I166 V184 E185 I187 L201R154-V156 HydrophobicContact CG-CG2 4.05Å; R154-I166 HydrophobicContact CB-CG2 4.09Å; R154-V184 WeakPolarHBondContact O-CA 3.39Å; R154-E185 HydrophobicContact CG-CG 3.7Å; R154-E185 IonicContact CZ-OE1 2.69Å; R154-E185 PolarHBondContact N-O 2.88Å; R154-E185 IonicContact NE-OE1 3.27Å; R154-E185 PolarHBondContact NE-OE1 3.46Å; R154-E185 IonicContact NH2-OE1 3.66Å; R154-E185 PolarHBondContact NH2-OE1 3.09Å; R154-E185 PolarHBondContact O-N 3.18Å; R154-E185 VanDerWaalsContact O-N 3.12Å; R154-I187 HydrophobicContact CB-CD1 4.14Å; R154-I187 HydrophobicContact CB-CG1 4.08Å; R154-I187 HydrophobicContact CG-CD1 4.48Å; R154-I187 HydrophobicContact CG-CG1 3.92Å; R154-L201 VanDerWaalsContact NH1-CD2 3.31Å
155I97.8Very high93.3Very high0 Ų049.7 Ų49.70%027%0.272CS..EExtended strand (participates in β ladder)trans-106.5129.9168-72.9166.6000108.2M132 I135 I136 I166 L167 L182 R183 V184M132-I155 HydrophobicContact CB-CD1 3.74Å; M132-I155 HydrophobicContact CG-CD1 4.28Å; M132-I155 WeakPolarHBondContact O-CD1 3.28Å; M132-I155 HydrophobicContact SD-CD1 3.94Å; M132-I155 HydrophobicContact SD-CG2 4.01Å; I135-I155 HydrophobicContact CB-CD1 3.96Å; I135-I155 HydrophobicContact CG2-CD1 3.97Å; I136-I155 HydrophobicContact CD1-CD1 4.13Å; I136-I155 HydrophobicContact CD1-CG1 4.16Å; I136-I155 HydrophobicContact CG1-CD1 3.6Å; I136-I155 HydrophobicContact CG1-CG1 3.87Å; I155-I166 WeakPolarHBondContact O-CA 3.49Å; I155-L167 HydrophobicContact CG2-CB 4.28Å; I155-L167 HydrophobicContact CG2-CD1 4.02Å; I155-L167 HydrophobicContact CG2-CG 4.46Å; I155-L167 PolarHBondContact O-N 2.85Å; I155-L182 HydrophobicContact CG2-CD2 3.66Å; I155-R183 CarbonylContact C-O 3.58Å; I155-R183 WeakPolarHBondContact CA-O 3.35Å; I155-V184 HydrophobicContact CD1-CG2 4.14Å; I155-V184 HydrophobicContact CG1-CG2 3.61Å
156V97Very high93.7Very high0 Ų051.6 Ų51.60%028%0.282CS..EExtended strand (participates in β ladder)trans-119136.1179-1650000109.2R154 L163 S165 I166 R183 E185 Y220R154-V156 HydrophobicContact CG-CG2 4.05Å; V156-L163 HydrophobicContact CB-CD2 4.29Å; V156-L163 HydrophobicContact CG1-CB 4.03Å; V156-L163 HydrophobicContact CG1-CD2 3.5Å; V156-L163 VanDerWaalsContact CG1-CD2 3.5Å; V156-L163 HydrophobicContact CG1-CG 4.29Å; V156-S165 WeakPolarHBondContact CA-O 3.5Å; V156-S165 VanDerWaalsContact CG1-O 3.32Å; V156-S165 WeakPolarHBondContact CG1-O 3.49Å; V156-I166 HydrophobicContact CG2-CG1 4.39Å; V156-R183 PolarHBondContact N-O 3.42Å; V156-R183 PolarHBondContact O-N 3.08Å; V156-E185 HydrophobicContact CG2-CG 4.36Å; V156-Y220 HydrophobicContact CG1-CE2 3.86Å; V156-Y220 HydrophobicContact CG2-CE2 3.98Å
157L96.3Very high94.1Very high8 Ų849.6 Ų49.64%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-83.4134168.4-73.6178.2000110.3T164 S165 L167 V176 P177 L182L157-T164 WeakPolarHBondContact CB-OG1 3.33Å; L157-T164 PolarHBondContact O-N 3.18Å; L157-T164 PolarHBondContact O-OG1 3.47Å; L157-T164 VanDerWaalsContact O-OG1 3.09Å; L157-S165 PolarHBondContact N-O 3.19Å; L157-L167 HydrophobicContact CD1-CD1 4.09Å; L157-L167 HydrophobicContact CD1-CD2 3.71Å; L157-L167 HydrophobicContact CD1-CG 4.09Å; L157-L167 HydrophobicContact CD2-CD1 3.92Å; L157-L167 HydrophobicContact CG-CD1 3.72Å; L157-L167 HydrophobicContact CG-CD2 4.05Å; L157-L167 HydrophobicContact CG-CG 3.85Å; L157-V176 HydrophobicContact CD2-CG1 3.77Å; L157-P177 HydrophobicContact CD1-CG 4.5Å; L157-L182 HydrophobicContact CD2-CD2 3.53Å; L157-L182 HydrophobicContact CD2-CG 4.36Å
158I95.7Very high94.4Very high14 Ų1447.2 Ų47.27%0.07225%0.252CS..EExtended strand (participates in β ladder)trans-122.2129.9178.4-58.6176.2000109.5R162 L163 S180 A181 R183 P218I158-R162 VanDerWaalsContact CA-O 3.26Å; I158-R162 WeakPolarHBondContact CA-O 3.21Å; I158-L163 HydrophobicContact CD1-CD2 4.2Å; I158-L163 HydrophobicContact CG1-CD2 3.94Å; I158-S180 CarbonylContact O-C 3.52Å; I158-S180 WeakPolarHBondContact O-CA 3.46Å; I158-A181 HydrophobicContact CB-CB 4.37Å; I158-A181 PolarHBondContact N-O 3.37Å; I158-A181 PolarHBondContact O-N 2.89Å; I158-R183 HydrophobicContact CD1-CB 3.7Å; I158-R183 HydrophobicContact CD1-CG 4.33Å; I158-R183 HydrophobicContact CG1-CB 4.47Å; I158-P218 HydrophobicContact CD1-CG 4.45Å; I158-P218 HydrophobicContact CG2-CG 4.36Å
159S93.7Very high94.6Very high41 Ų4145.1 Ų45.129%0.28724%0.241SC..EExtended strand (participates in β ladder)trans-136.9131171.3-172.10000109.9H161 R162S159-H161 VanDerWaalsContact C-N 3.33Å; S159-H161 PolarHBondContact O-N 3.46Å; S159-R162 PolarHBondContact N-O 3.15Å; S159-R162 WeakPolarHBondContact O-CB 3.39Å; S159-R162 PolarHBondContact O-N 3.44Å
160S92.3Very high94.8Very high81 Ų8149.9 Ų49.957%0.56626%0.261SS*.THydrogen-bonded Turntrans4854-177.7-51.70000111.8R162 T214S160-R162 PolarHBondContact O-N 2.89Å; S160-T214 WeakPolarHBondContact O-CB 3.45Å; S160-T214 PolarHBondContact O-OG1 3.45Å
161H94.2Very high94.9Very high92 Ų9250.9 Ų50.943%0.42626%0.264SS..THydrogen-bonded Turntrans55.121.4-178.5-56-80.9000115.6S159 T205 T214 G216 P218S159-H161 VanDerWaalsContact C-N 3.33Å; S159-H161 PolarHBondContact O-N 3.46Å; H161-T205 WeakPolarHBondContact O-CG2 3.48Å; H161-T214 PolarHBondContact CD2-O 2.88Å; H161-G216 PolarHBondContact ND1-O 3.29Å; H161-G216 VanDerWaalsContact ND1-O 3.1Å; H161-P218 VanDerWaalsContact O-CB 3.26Å; H161-P218 WeakPolarHBondContact O-CB 3.18Å; H161-P218 VanDerWaalsContact O-CG 3.23Å; H161-P218 WeakPolarHBondContact O-CG 3.37Å
162R94.6Very high95Very high88 Ų8847.7 Ų47.733%0.33226%0.255SS..EExtended strand (participates in β ladder)trans-119.1144.2174.7-70.9-173-58.4-179.73.3111.5I158 S159 S160 T164 T205 T214I158-R162 VanDerWaalsContact CA-O 3.26Å; I158-R162 WeakPolarHBondContact CA-O 3.21Å; S159-R162 PolarHBondContact N-O 3.15Å; S159-R162 WeakPolarHBondContact O-CB 3.39Å; S159-R162 PolarHBondContact O-N 3.44Å; S160-R162 PolarHBondContact O-N 2.89Å; R162-T164 PolarHBondContact O-N 3.22Å; R162-T205 HydrophobicContact CG-CG2 3.72Å; R162-T214 HydrophobicContact CG-CG2 4.05Å
163L94.8Very high94.8Very high15 Ų1544 Ų448%0.07924%0.238CC..EExtended strand (participates in β ladder)trans-76.3117.1170.6-54.2163.7000108.2V156 I158 R183 P203 P218 F219 Y220V156-L163 HydrophobicContact CB-CD2 4.29Å; V156-L163 HydrophobicContact CG1-CB 4.03Å; V156-L163 HydrophobicContact CG1-CD2 3.5Å; V156-L163 VanDerWaalsContact CG1-CD2 3.5Å; V156-L163 HydrophobicContact CG1-CG 4.29Å; I158-L163 HydrophobicContact CD1-CD2 4.2Å; I158-L163 HydrophobicContact CG1-CD2 3.94Å; L163-R183 VanDerWaalsContact CD2-NH2 3.29Å; L163-P203 HydrophobicContact CB-CB 4.31Å; L163-P203 HydrophobicContact CD1-CB 4.24Å; L163-P218 HydrophobicContact CD1-CB 4.37Å; L163-P218 HydrophobicContact CD2-CB 4.34Å; L163-P218 HydrophobicContact CD2-CG 4Å; L163-P218 HydrophobicContact CG-CB 3.93Å; L163-P218 HydrophobicContact CG-CG 4.08Å; L163-F219 VanDerWaalsContact CD1-C 3.4Å; L163-F219 WeakPolarHBondContact CD1-O 3.41Å; L163-Y220 HydrophobicContact CB-CE2 4.33Å; L163-Y220 HydrophobicContact CD1-CD1 4.14Å; L163-Y220 HydrophobicContact CD1-CD2 3.67Å; L163-Y220 HydrophobicContact CD1-CE1 4.13Å; L163-Y220 HydrophobicContact CD1-CE2 3.66Å; L163-Y220 HydrophobicContact CD1-CG 3.93Å; L163-Y220 HydrophobicContact CD2-CE2 4.41Å; L163-Y220 HydrophobicContact CG-CE2 4.32Å
164T91.7Very high94.5Very high54 Ų5449 Ų4933%0.33126%0.262SS..EExtended strand (participates in β ladder)trans-93.1-43.1-177.957.30000111.4L157 R162L157-T164 WeakPolarHBondContact CB-OG1 3.33Å; L157-T164 PolarHBondContact O-N 3.18Å; L157-T164 PolarHBondContact O-OG1 3.47Å; L157-T164 VanDerWaalsContact O-OG1 3.09Å; R162-T164 PolarHBondContact O-N 3.22Å
165S92.1Very high94.3Very high35 Ų3553.3 Ų53.325%0.24528%0.283CS..EExtended strand (participates in β ladder)trans-162.4154.1177.258.10000112.4V156 L157V156-S165 WeakPolarHBondContact CA-O 3.5Å; V156-S165 VanDerWaalsContact CG1-O 3.32Å; V156-S165 WeakPolarHBondContact CG1-O 3.49Å; L157-S165 PolarHBondContact N-O 3.19Å
166I95.3Very high93.9Very high71 Ų7154.3 Ų54.336%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-85.5126.9162.5-57.7175.5000107.1R154 I155 V156 L201 Y220R154-I166 HydrophobicContact CB-CG2 4.09Å; I155-I166 WeakPolarHBondContact O-CA 3.49Å; V156-I166 HydrophobicContact CG2-CG1 4.39Å; I166-L201 HydrophobicContact CD1-CD2 3.76Å; I166-Y220 HydrophobicContact CD1-CE2 3.96Å; I166-Y220 HydrophobicContact CG1-CE2 3.82Å; I166-Y220 WeakPolarHBondContact CG1-OH 3.49Å
167L95.6Very high93.7Very high13 Ų1357.4 Ų57.47%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-85.9133.9178.5-67.3-177.9000111.1M132 I155 L157 H171 V176 L182M132-L167 HydrophobicContact CG-CB 4.11Å; M132-L167 HydrophobicContact CG-CD1 4.16Å; M132-L167 HydrophobicContact SD-CD1 3.71Å; I155-L167 HydrophobicContact CG2-CB 4.28Å; I155-L167 HydrophobicContact CG2-CD1 4.02Å; I155-L167 HydrophobicContact CG2-CG 4.46Å; I155-L167 PolarHBondContact O-N 2.85Å; L157-L167 HydrophobicContact CD1-CD1 4.09Å; L157-L167 HydrophobicContact CD1-CD2 3.71Å; L157-L167 HydrophobicContact CD1-CG 4.09Å; L157-L167 HydrophobicContact CD2-CD1 3.92Å; L157-L167 HydrophobicContact CG-CD1 3.72Å; L157-L167 HydrophobicContact CG-CD2 4.05Å; L157-L167 HydrophobicContact CG-CG 3.85Å; L167-H171 HydrophobicContact CB-CB 4.5Å; L167-V176 HydrophobicContact CD1-CG2 4.19Å; L167-L182 HydrophobicContact CD1-CD2 3.78Å
168P95.8Very high93.2Very high72 Ų7268.1 Ų68.147%0.46835%0.351SS..PPolyproline II helixtrans-56.9148.8166.7-24.935.5000112M132 D170 H171M132-P168 WeakPolarHBondContact CB-O 3.26Å; P168-D170 WeakPolarHBondContact CB-OD1 3.47Å; P168-D170 PolarHBondContact O-N 3.39Å; P168-H171 HydrophobicContact CB-CB 4.48Å; P168-H171 WeakPolarHBondContact O-CB 3.37Å; P168-H171 PolarHBondContact O-N 2.97Å
169L95Very high92.7Very high81 Ų8174.6 Ų74.642%0.42439%0.385SS..THydrogen-bonded Turntrans-69-21.2-177.2-60.9-171.3000113.4M132 K133 I136M132-L169 PolarHBondContact N-O 2.8Å; K133-L169 HydrophobicContact CB-CB 4.26Å; K133-L169 WeakPolarHBondContact CB-O 3.23Å; K133-L169 PolarHBondContact N-O 2.65Å; I136-L169 HydrophobicContact CD1-CD2 3.34Å
170D95.3Very high92.7Very high119 Ų11974 Ų7464%0.63638%0.381SS*.THydrogen-bonded Turntrans-91.53.6174.362.7-26.4000113.1L131 P168L131-D170 WeakPolarHBondContact CD2-O 3.33Å; P168-D170 WeakPolarHBondContact CB-OD1 3.47Å; P168-D170 PolarHBondContact O-N 3.39Å
171H94.7Very high92.8Very high41 Ų4172 Ų7219%0.1937%0.369CS..  trans-67.7139.7173.5-168.872.6000110.8L131 M132 L167 P168 Q175L131-H171 WeakPolarHBondContact CA-O 3.24Å; M132-H171 HydrophobicContact CG-CB 3.82Å; M132-H171 WeakPolarHBondContact CG-O 3.22Å; M132-H171 PolarHBondContact N-O 2.91Å; L167-H171 HydrophobicContact CB-CB 4.5Å; P168-H171 HydrophobicContact CB-CB 4.48Å; P168-H171 WeakPolarHBondContact O-CB 3.37Å; P168-H171 PolarHBondContact O-N 2.97Å; H171-Q175 PolarHBondContact CE1-OE1 3.44Å; H171-Q175 VanDerWaalsContact CE1-OE1 3.29Å; H171-Q175 PolarHBondContact ND1-OE1 3.45Å
172L94.3Very high92.9Very high47 Ų4768 Ų6825%0.24635%0.352CS..BIsolated β-bridgetrans-82.7138.2-178-71166.4000111.1L131 E174 Q175L131-L172 HydrophobicContact CD2-CD2 3.71Å; L131-L172 HydrophobicContact CD2-CG 4.35Å; L172-E174 VanDerWaalsContact C-N 3.29Å; L172-E174 HydrophobicContact CB-CG 4.08Å; L172-E174 PolarHBondContact O-N 3.11Å; L172-Q175 HydrophobicContact CB-CG 4.01Å; L172-Q175 WeakPolarHBondContact O-CB 3.5Å; L172-Q175 PolarHBondContact O-N 2.89Å; L172-Q175 VanDerWaalsContact O-N 3.11Å
173L91.7Very high93.1Very high18 Ų1863.9 Ų63.99%0.09434%0.336CS..G310 helixtrans-61-35.9178.1175.457.2000113.5Q106 V108 V126 G130 M132 I135 Q175 V176 L182Q106-L173 HydrophobicContact CG-CD2 4.32Å; V108-L173 HydrophobicContact CG1-CD1 4.25Å; V108-L173 HydrophobicContact CG2-CD1 4.42Å; V108-L173 HydrophobicContact CG2-CD2 3.45Å; V108-L173 VanDerWaalsContact CG2-CD2 3.45Å; V126-L173 HydrophobicContact CG2-CD2 3.53Å; G130-L173 WeakPolarHBondContact O-CB 3.26Å; G130-L173 PolarHBondContact O-N 3.13Å; M132-L173 VanDerWaalsContact CE-CA 3.41Å; M132-L173 HydrophobicContact CE-CB 3.83Å; M132-L173 HydrophobicContact CE-CD1 4.05Å; I135-L173 HydrophobicContact CD1-CD1 4.04Å; I135-L173 HydrophobicContact CD1-CD2 4.5Å; L173-Q175 PolarHBondContact O-N 3.07Å; L173-Q175 VanDerWaalsContact O-N 3.14Å; L173-V176 HydrophobicContact CD1-CG2 4.23Å; L173-V176 WeakPolarHBondContact O-CB 3.46Å; L173-V176 WeakPolarHBondContact O-CG2 3.42Å; L173-V176 PolarHBondContact O-N 3.13Å; L173-V176 VanDerWaalsContact O-N 3.14Å; L173-L182 HydrophobicContact CD1-CD1 4.06Å
174E90.3Very high93.2Very high124 Ų12463.2 Ų63.258%0.57933%0.332SS*.G310 helixtrans-63.8-17.3177.467.4-178.2-165.400113.9L172L172-E174 VanDerWaalsContact C-N 3.29Å; L172-E174 HydrophobicContact CB-CG 4.08Å; L172-E174 PolarHBondContact O-N 3.11Å
175Q91.7Very high93.5Very high105 Ų10560.7 Ų60.749%0.49132%0.317SS..G310 helixtrans-90-4.9179.9-62.8178.3-16.500112.7H171 L172 L173H171-Q175 PolarHBondContact CE1-OE1 3.44Å; H171-Q175 VanDerWaalsContact CE1-OE1 3.29Å; H171-Q175 PolarHBondContact ND1-OE1 3.45Å; L172-Q175 HydrophobicContact CB-CG 4.01Å; L172-Q175 WeakPolarHBondContact O-CB 3.5Å; L172-Q175 PolarHBondContact O-N 2.89Å; L172-Q175 VanDerWaalsContact O-N 3.11Å; L173-Q175 PolarHBondContact O-N 3.07Å; L173-Q175 VanDerWaalsContact O-N 3.14Å
176V90.8Very high93.6Very high22 Ų2260.2 Ų60.213%0.13331%0.311CS..SBendtrans-69.4128.5178.5174.30000110.1M132 L157 L167 L173 Y178 L182M132-V176 HydrophobicContact CE-CG2 3.84Å; M132-V176 HydrophobicContact SD-CG2 4.48Å; L157-V176 HydrophobicContact CD2-CG1 3.77Å; L167-V176 HydrophobicContact CD1-CG2 4.19Å; L173-V176 HydrophobicContact CD1-CG2 4.23Å; L173-V176 WeakPolarHBondContact O-CB 3.46Å; L173-V176 WeakPolarHBondContact O-CG2 3.42Å; L173-V176 PolarHBondContact O-N 3.13Å; L173-V176 VanDerWaalsContact O-N 3.14Å; V176-Y178 PolarHBondContact O-N 2.95Å; V176-L182 HydrophobicContact CG1-CD1 4.4Å; V176-L182 HydrophobicContact CG1-CD2 4.1Å; V176-L182 HydrophobicContact CG1-CG 4.2Å; V176-L182 HydrophobicContact CG2-CD1 4.41Å; V176-L182 HydrophobicContact CG2-CD2 4.08Å
177P91.4Very high93.6Very high65 Ų6558 Ų5842%0.42230%0.3SS..  trans-63.2131.2178.1-21.232000112.2L157 N179 S180L157-P177 HydrophobicContact CD1-CG 4.5Å; P177-N179 PolarHBondContact O-N 2.77Å; P177-S180 WeakPolarHBondContact O-CB 3.46Å; P177-S180 PolarHBondContact O-N 2.88Å
178Y85.9Confident93.6Very high232 Ų23259.8 Ų59.891%0.9131%0.312SS*.THydrogen-bonded Turntrans-52.6-30.1-175.9-68.3-77.4000115.7V176V176-Y178 PolarHBondContact O-N 2.95Å
179N86.1Confident93.5Very high150 Ų15062.2 Ų62.280%0.80232%0.32SS*.THydrogen-bonded Turntrans-97.218.5-177.6-63.9-23.6000113.3P177P177-N179 PolarHBondContact O-N 2.77Å
180S92.2Very high93.5Very high28 Ų2862 Ų6220%0.19632%0.319CS..  trans-112.4138.6177.4-57.20000110.8I158 P177I158-S180 CarbonylContact O-C 3.52Å; I158-S180 WeakPolarHBondContact O-CA 3.46Å; P177-S180 WeakPolarHBondContact O-CB 3.46Å; P177-S180 PolarHBondContact O-N 2.88Å
181A94.8Very high93.5Very high39 Ų3957 Ų5732%0.32229%0.292SS..EExtended strand (participates in β ladder)trans-83.1142.6166.600000109.6I158I158-A181 HydrophobicContact CB-CB 4.37Å; I158-A181 PolarHBondContact N-O 3.37Å; I158-A181 PolarHBondContact O-N 2.89Å
182L97.3Very high93.6Very high10 Ų1057.7 Ų57.75%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-92.8128168.3-69.9167.6000108.4V108 V110 Q111 M132 I135 I155 L157 L167 L173 V176V108-L182 HydrophobicContact CG1-CD1 4.13Å; V110-L182 HydrophobicContact CG1-CB 4.44Å; V110-L182 HydrophobicContact CG2-CB 4.4Å; Q111-L182 PolarHBondContact N-O 3.27Å; M132-L182 HydrophobicContact SD-CD2 4.18Å; I135-L182 HydrophobicContact CD1-CD1 4.1Å; I155-L182 HydrophobicContact CG2-CD2 3.66Å; L157-L182 HydrophobicContact CD2-CD2 3.53Å; L157-L182 HydrophobicContact CD2-CG 4.36Å; L167-L182 HydrophobicContact CD1-CD2 3.78Å; L173-L182 HydrophobicContact CD1-CD1 4.06Å; V176-L182 HydrophobicContact CG1-CD1 4.4Å; V176-L182 HydrophobicContact CG1-CD2 4.1Å; V176-L182 HydrophobicContact CG1-CG 4.2Å; V176-L182 HydrophobicContact CG2-CD1 4.41Å; V176-L182 HydrophobicContact CG2-CD2 4.08Å
183R98Very high93.6Very high1 Ų159.8 Ų59.80%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-119.8123.3170.9-170.1171.778.7-168.61110.7Q111 M113 I155 V156 I158 L163 E185 P218Q111-R183 HydrophobicContact CB-CB 3.98Å; Q111-R183 HydrophobicContact CB-CG 3.77Å; Q111-R183 CarbonylContact O-C 3.55Å; Q111-R183 VanDerWaalsContact O-CA 3.24Å; Q111-R183 WeakPolarHBondContact O-CA 3.36Å; M113-R183 HydrophobicContact CB-CG 4.2Å; M113-R183 VanDerWaalsContact SD-CZ 3.52Å; I155-R183 CarbonylContact C-O 3.58Å; I155-R183 WeakPolarHBondContact CA-O 3.35Å; V156-R183 PolarHBondContact N-O 3.42Å; V156-R183 PolarHBondContact O-N 3.08Å; I158-R183 HydrophobicContact CD1-CB 3.7Å; I158-R183 HydrophobicContact CD1-CG 4.33Å; I158-R183 HydrophobicContact CG1-CB 4.47Å; L163-R183 VanDerWaalsContact CD2-NH2 3.29Å; R183-E185 IonicContact CZ-OE2 3.89Å; R183-E185 IonicContact NE-OE2 3.61Å; R183-E185 PolarHBondContact NE-OE2 3.11Å; R183-E185 IonicContact NH2-OE2 2.66Å; R183-E185 PolarHBondContact NH2-OE2 3.06Å; R183-P218 VanDerWaalsContact CZ-O 3.23Å; R183-P218 PolarHBondContact NH1-O 3.3Å; R183-P218 PolarHBondContact NH2-O 2.95Å
184V98.1Very high93.7Very high0 Ų061.3 Ų61.30%033%0.327CS..EExtended strand (participates in β ladder)trans-89.5131.9166.1175.20000107.8V110 Q111 F112 M113 I135 I136 V139 F153 R154 I155V110-V184 HydrophobicContact CG1-CB 4.26Å; V110-V184 HydrophobicContact CG1-CG2 3.67Å; Q111-V184 PolarHBondContact O-N 3.43Å; F112-V184 WeakPolarHBondContact CA-O 3.38Å; F112-V184 HydrophobicContact CD2-CB 4.49Å; F112-V184 HydrophobicContact CD2-CG1 4.26Å; M113-V184 PolarHBondContact N-O 3.16Å; I135-V184 HydrophobicContact CG2-CG2 4.05Å; I136-V184 HydrophobicContact CG1-CG2 4.46Å; V139-V184 HydrophobicContact CB-CG1 4.31Å; V139-V184 HydrophobicContact CB-CG2 4.45Å; V139-V184 HydrophobicContact CG1-CB 4.21Å; V139-V184 HydrophobicContact CG1-CG1 3.92Å; V139-V184 HydrophobicContact CG2-CB 4.35Å; V139-V184 HydrophobicContact CG2-CG2 3.98Å; F153-V184 HydrophobicContact CB-CG1 4.47Å; F153-V184 HydrophobicContact CD1-CG1 3.92Å; R154-V184 WeakPolarHBondContact O-CA 3.39Å; I155-V184 HydrophobicContact CD1-CG2 4.14Å; I155-V184 HydrophobicContact CG1-CG2 3.61Å
185E96.9Very high93.9Very high1 Ų158.7 Ų58.71%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-140.6144.3174.859.4-168.4-13800110M113 F153 R154 V156 R183M113-E185 HydrophobicContact CB-CB 4.13Å; M113-E185 HydrophobicContact CE-CB 3.95Å; M113-E185 HydrophobicContact CE-CG 4.4Å; M113-E185 VanDerWaalsContact CE-OE2 3.22Å; M113-E185 WeakPolarHBondContact CE-OE2 3.43Å; F153-E185 WeakPolarHBondContact CA-O 3.32Å; R154-E185 HydrophobicContact CG-CG 3.7Å; R154-E185 IonicContact CZ-OE1 2.69Å; R154-E185 PolarHBondContact N-O 2.88Å; R154-E185 IonicContact NE-OE1 3.27Å; R154-E185 PolarHBondContact NE-OE1 3.46Å; R154-E185 IonicContact NH2-OE1 3.66Å; R154-E185 PolarHBondContact NH2-OE1 3.09Å; R154-E185 PolarHBondContact O-N 3.18Å; R154-E185 VanDerWaalsContact O-N 3.12Å; V156-E185 HydrophobicContact CG2-CG 4.36Å; R183-E185 IonicContact CZ-OE2 3.89Å; R183-E185 IonicContact NE-OE2 3.61Å; R183-E185 PolarHBondContact NE-OE2 3.11Å; R183-E185 IonicContact NH2-OE2 2.66Å; R183-E185 PolarHBondContact NH2-OE2 3.06Å
186E95Very high93.8Very high26 Ų2658.7 Ų58.712%0.12133%0.329CS..EExtended strand (participates in β ladder)trans-69.2129.5167.9-173170.3-155.600108.5G149 S150 R151 F153 P188G149-E186 WeakPolarHBondContact CA-OE1 3.37Å; S150-E186 PolarHBondContact N-OE1 2.84Å; R151-E186 PolarHBondContact N-OE1 2.94Å; F153-E186 HydrophobicContact CD1-CB 4.18Å; F153-E186 HydrophobicContact CE1-CB 3.76Å; F153-E186 HydrophobicContact CE1-CG 4.29Å; F153-E186 HydrophobicContact CZ-CB 4.22Å; F153-E186 HydrophobicContact CZ-CG 4.27Å; E186-P188 VanDerWaalsContact O-CD 3.29Å; E186-P188 WeakPolarHBondContact O-CD 3.21Å
187I95.5Very high93.7Very high25 Ų2566.5 Ų66.513%0.12836%0.361CS..PPolyproline II helixtrans-69.2121178.9-59.6175.7000107.3S150 Q152 R154 Q191 V192S150-I187 WeakPolarHBondContact CB-O 3.46Å; S150-I187 PolarHBondContact OG-O 3.29Å; Q152-I187 HydrophobicContact CB-CB 4.48Å; Q152-I187 HydrophobicContact CB-CD1 4.16Å; Q152-I187 PolarHBondContact O-N 3.06Å; R154-I187 HydrophobicContact CB-CD1 4.14Å; R154-I187 HydrophobicContact CB-CG1 4.08Å; R154-I187 HydrophobicContact CG-CD1 4.48Å; R154-I187 HydrophobicContact CG-CG1 3.92Å; I187-Q191 HydrophobicContact CG2-CB 3.78Å; I187-V192 HydrophobicContact CG2-CG2 4.21Å
188P94.5Very high93.8Very high49 Ų4965.9 Ų65.932%0.31836%0.358SS..PPolyproline II helixtrans-56.2147.3175.8-2736.6000111.6E186 D190 Q191 V192E186-P188 VanDerWaalsContact O-CD 3.29Å; E186-P188 WeakPolarHBondContact O-CD 3.21Å; P188-D190 VanDerWaalsContact CB-OD1 3.27Å; P188-D190 WeakPolarHBondContact CB-OD1 3.46Å; P188-D190 PolarHBondContact O-N 2.99Å; P188-D190 VanDerWaalsContact O-N 3.12Å; P188-Q191 HydrophobicContact CB-CB 4.44Å; P188-Q191 HydrophobicContact CB-CG 4.13Å; P188-Q191 HydrophobicContact CG-CG 4.34Å; P188-Q191 WeakPolarHBondContact O-CA 3.48Å; P188-Q191 WeakPolarHBondContact O-CB 3.34Å; P188-Q191 PolarHBondContact O-N 2.86Å; P188-V192 PolarHBondContact O-N 3.2Å
189L94.2Very high94.3Very high123 Ų12355.7 Ų55.764%0.64432%0.319SS*.G310 helixtrans-53.9-36.6-176-71.5170.8000113.1Q191L189-Q191 PolarHBondContact O-N 2.95Å
190D94.6Very high94.7Very high76 Ų7650.2 Ų50.241%0.40629%0.287SS..G310 helixtrans-72.4-13.6177.668.1-62.9000113.8P188 K222P188-D190 VanDerWaalsContact CB-OD1 3.27Å; P188-D190 WeakPolarHBondContact CB-OD1 3.46Å; P188-D190 PolarHBondContact O-N 2.99Å; P188-D190 VanDerWaalsContact O-N 3.12Å; D190-K222 WeakPolarHBondContact O-CD 3.15Å; D190-K222 WeakPolarHBondContact O-CE 3.06Å; D190-K222 PolarHBondContact O-NZ 3.01Å
191Q96.3Very high94.8Very high16 Ų1650.3 Ų50.38%0.07529%0.286CS..G310 helixtrans-107.8-4.1-176.6-57.5-176.514.500113.6I187 P188 L189 S193 L201 Y220 K222I187-Q191 HydrophobicContact CG2-CB 3.78Å; P188-Q191 HydrophobicContact CB-CB 4.44Å; P188-Q191 HydrophobicContact CB-CG 4.13Å; P188-Q191 HydrophobicContact CG-CG 4.34Å; P188-Q191 WeakPolarHBondContact O-CA 3.48Å; P188-Q191 WeakPolarHBondContact O-CB 3.34Å; P188-Q191 PolarHBondContact O-N 2.86Å; L189-Q191 PolarHBondContact O-N 2.95Å; Q191-S193 VanDerWaalsContact C-N 3.27Å; Q191-S193 PolarHBondContact O-N 3.39Å; Q191-L201 HydrophobicContact CB-CD1 4.32Å; Q191-L201 HydrophobicContact CG-CD1 3.97Å; Q191-Y220 PolarHBondContact NE2-O 3.16Å; Q191-K222 HydrophobicContact CG-CB 4.4Å
192V95.8Very high94.9Very high55 Ų5548.7 Ų48.733%0.33327%0.271SS..SBendtrans-58.5-41.2178.8169.30000111.5I187 P188I187-V192 HydrophobicContact CG2-CG2 4.21Å; P188-V192 PolarHBondContact O-N 3.2Å
193S94.4Very high94.8Very high91 Ų9148.8 Ų48.864%0.63627%0.273SS*.SBendtrans-124.4121.2174-177.50000108.9Q191 K222Q191-S193 VanDerWaalsContact C-N 3.27Å; Q191-S193 PolarHBondContact O-N 3.39Å; S193-K222 PolarHBondContact O-NZ 3.36Å
194V94.4Very high94.8Very high49 Ų4948.8 Ų48.830%0.29727%0.273SS..  trans-120.3113.6176.3-176.20000107.3S196 E199 K222V194-S196 PolarHBondContact O-N 3.14Å; V194-E199 HydrophobicContact CG1-CB 3.77Å; V194-K222 HydrophobicContact CG1-CD 4.3Å; V194-K222 HydrophobicContact CG2-CD 3.97Å
195D94.1Very high94.8Very high69 Ų6948.8 Ų48.837%0.36927%0.273SS..  trans-72.2109.5175.7171.419.9000109.8K197 S198 E199D195-K197 PolarHBondContact O-N 3.14Å; D195-K197 WeakPolarHBondContact OD1-CB 3.48Å; D195-K197 PolarHBondContact OD1-N 3Å; D195-S198 PolarHBondContact O-N 3.29Å; D195-S198 VanDerWaalsContact O-N 3.15Å; D195-S198 WeakPolarHBondContact OD2-CB 3.09Å; D195-S198 PolarHBondContact OD2-OG 3.36Å; D195-E199 HydrophobicContact CB-CG 4.26Å; D195-E199 PolarHBondContact N-OE2 2.68Å; D195-E199 CarbonylContact O-C 3.57Å; D195-E199 WeakPolarHBondContact O-CA 3.4Å; D195-E199 WeakPolarHBondContact O-CB 3.45Å; D195-E199 PolarHBondContact O-N 3.26Å; D195-E199 VanDerWaalsContact O-O 3.04Å
196S88.9Confident94.8Very high105 Ų10549.4 Ų49.473%0.73428%0.276SS*.THydrogen-bonded Turntrans-62.5-11.7-177.558.90000114.8V194V194-S196 PolarHBondContact O-N 3.14Å
197K89.9Confident94.9Very high187 Ų18748.2 Ų48.281%0.81327%0.27SS*.THydrogen-bonded Turntrans-87.7-32.7176-63.8-178.2-179.31780113.6D195D195-K197 PolarHBondContact O-N 3.14Å; D195-K197 WeakPolarHBondContact OD1-CB 3.48Å; D195-K197 PolarHBondContact OD1-N 3Å
198S94.1Very high95Very high51 Ų5149.8 Ų49.836%0.35728%0.277SS..THydrogen-bonded Turntrans-127.5-8.6-170.467.70000114.2D195 R224 N225 L272D195-S198 PolarHBondContact O-N 3.29Å; D195-S198 VanDerWaalsContact O-N 3.15Å; D195-S198 WeakPolarHBondContact OD2-CB 3.09Å; D195-S198 PolarHBondContact OD2-OG 3.36Å; S198-R224 CarbonylContact O-C 3.59Å; S198-R224 WeakPolarHBondContact O-CA 3.25Å; S198-N225 PolarHBondContact O-N 3.46Å; S198-L272 WeakPolarHBondContact O-CD1 3.42Å
199E95.9Very high94.9Very high19 Ų1955.3 Ų55.39%0.08930%0.296CS..EExtended strand (participates in β ladder)trans-131.4153.4-179-50.1-169.8132.400110.6V194 D195 K222 I223 R224V194-E199 HydrophobicContact CG1-CB 3.77Å; D195-E199 HydrophobicContact CB-CG 4.26Å; D195-E199 PolarHBondContact N-OE2 2.68Å; D195-E199 CarbonylContact O-C 3.57Å; D195-E199 WeakPolarHBondContact O-CA 3.4Å; D195-E199 WeakPolarHBondContact O-CB 3.45Å; D195-E199 PolarHBondContact O-N 3.26Å; D195-E199 VanDerWaalsContact O-O 3.04Å; E199-K222 HydrophobicContact CB-CD 4.32Å; E199-K222 HydrophobicContact CB-CG 4.35Å; E199-K222 WeakPolarHBondContact OE1-CE 3.44Å; E199-K222 IonicContact OE1-NZ 3.52Å; E199-K222 PolarHBondContact OE1-NZ 2.91Å; E199-K222 VanDerWaalsContact OE1-NZ 3.09Å; E199-K222 WeakPolarHBondContact OE2-CD 3.29Å; E199-K222 WeakPolarHBondContact OE2-CE 3.14Å; E199-K222 IonicContact OE2-NZ 2.72Å; E199-K222 PolarHBondContact OE2-NZ 3.11Å; E199-I223 CarbonylContact C-O 3.59Å; E199-I223 VanDerWaalsContact CA-O 3.26Å; E199-I223 WeakPolarHBondContact CA-O 3.36Å; E199-R224 HydrophobicContact CG-CG 4.1Å; E199-R224 IonicContact OE1-CZ 3.35Å; E199-R224 IonicContact OE1-NE 2.76Å; E199-R224 PolarHBondContact OE1-NE 2.76Å; E199-R224 IonicContact OE1-NH2 3.03Å; E199-R224 PolarHBondContact OE1-NH2 2.95Å
200Y94Very high94.8Very high34 Ų3452.6 Ų52.613%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-139.7144.7176.1-175.7-98.6000110.3L202 K222 I223 F275Y200-L202 HydrophobicContact CD1-CB 4.02Å; Y200-L202 HydrophobicContact CD1-CD1 4.28Å; Y200-L202 HydrophobicContact CE1-CB 4.24Å; Y200-L202 HydrophobicContact CE1-CD1 3.89Å; Y200-K222 WeakPolarHBondContact O-CA 3.4Å; Y200-I223 HydrophobicContact CD1-CD1 4.16Å; Y200-I223 HydrophobicContact CD1-CG1 4.42Å; Y200-I223 PolarHBondContact N-O 3.21Å; Y200-I223 WeakPolarHBondContact O-CG1 3.28Å; Y200-I223 PolarHBondContact O-N 3.02Å; Y200-F275 HydrophobicContact CD1-CB 4.16Å; Y200-F275 HydrophobicContact CD1-CD1 4.28Å; Y200-F275 HydrophobicContact CD1-CG 4.37Å; Y200-F275 HydrophobicContact CD2-CB 4.41Å; Y200-F275 HydrophobicContact CE1-CB 4.13Å; Y200-F275 HydrophobicContact CE1-CD1 4.18Å; Y200-F275 HydrophobicContact CE1-CG 4.49Å; Y200-F275 HydrophobicContact CE2-CB 4.37Å; Y200-F275 HydrophobicContact CG-CB 4.31Å
201L95.1Very high94.8Very high31 Ų3150.3 Ų50.316%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-97.195.7175.5-169.472.1000109.2R154 I166 Q191 P203 Y220R154-L201 VanDerWaalsContact NH1-CD2 3.31Å; I166-L201 HydrophobicContact CD1-CD2 3.76Å; Q191-L201 HydrophobicContact CB-CD1 4.32Å; Q191-L201 HydrophobicContact CG-CD1 3.97Å; L201-P203 WeakPolarHBondContact O-CD 3.48Å; L201-Y220 HydrophobicContact CD1-CD1 4.5Å; L201-Y220 HydrophobicContact CD1-CG 4.34Å; L201-Y220 HydrophobicContact CD2-CD1 3.79Å; L201-Y220 HydrophobicContact CD2-CD2 4.28Å; L201-Y220 HydrophobicContact CD2-CE1 4.23Å; L201-Y220 HydrophobicContact CD2-CG 3.81Å; L201-Y220 HydrophobicContact CG-CD1 3.61Å; L201-Y220 HydrophobicContact CG-CE1 4.36Å; L201-Y220 HydrophobicContact CG-CG 3.83Å
202L95.1Very high94.6Very high4 Ų457.7 Ų57.72%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-83.8121.7-172.9-175.161.5000111.1Y200 Y220 I221 I223 F275 L289Y200-L202 HydrophobicContact CD1-CB 4.02Å; Y200-L202 HydrophobicContact CD1-CD1 4.28Å; Y200-L202 HydrophobicContact CE1-CB 4.24Å; Y200-L202 HydrophobicContact CE1-CD1 3.89Å; L202-Y220 WeakPolarHBondContact O-CA 3.16Å; L202-I221 HydrophobicContact CB-CG2 4.05Å; L202-I221 PolarHBondContact N-O 3.34Å; L202-I221 PolarHBondContact O-N 3Å; L202-I223 HydrophobicContact CB-CD1 4.23Å; L202-I223 HydrophobicContact CB-CG1 4.47Å; L202-I223 HydrophobicContact CB-CG2 4.4Å; L202-I223 HydrophobicContact CD2-CD1 4.17Å; L202-I223 HydrophobicContact CD2-CG2 4.31Å; L202-F275 HydrophobicContact CD1-CD1 3.56Å; L202-F275 HydrophobicContact CD1-CE1 3.44Å; L202-F275 VanDerWaalsContact CD1-CE1 3.44Å; L202-F275 HydrophobicContact CD2-CE1 3.87Å; L202-F275 HydrophobicContact CD2-CZ 4.46Å; L202-F275 HydrophobicContact CG-CE1 4.29Å; L202-L289 HydrophobicContact CD2-CB 3.65Å; L202-L289 HydrophobicContact CD2-CD2 4.27Å; L202-L289 HydrophobicContact CD2-CG 4.49Å; L202-L289 HydrophobicContact CG-CB 4.07Å
203P96.6Very high94.5Very high13 Ų1361 Ų618%0.08431%0.311CS..EExtended strand (participates in β ladder)trans-65.1135.2167.6-10.822.3000110.5L163 L201 Y220 W288 L289L163-P203 HydrophobicContact CB-CB 4.31Å; L163-P203 HydrophobicContact CD1-CB 4.24Å; L201-P203 WeakPolarHBondContact O-CD 3.48Å; P203-Y220 HydrophobicContact CB-CD1 4.32Å; P203-Y220 HydrophobicContact CB-CE1 4.04Å; P203-Y220 HydrophobicContact CG-CD1 4.29Å; P203-Y220 HydrophobicContact CG-CE1 3.76Å; P203-W288 HydrophobicContact CB-CB 4.06Å; P203-W288 HydrophobicContact CG-CB 4.42Å; P203-W288 CarbonylContact O-C 3.55Å; P203-W288 WeakPolarHBondContact O-CA 3.39Å; P203-W288 WeakPolarHBondContact O-CB 3.46Å; P203-L289 PolarHBondContact O-N 3.27Å
204V97.5Very high94.6Very high0 Ų057.4 Ų57.40%029%0.285CS..EExtended strand (participates in β ladder)trans-118.8135.6176.8-169.70000109.1P218 F219 I221 L289 L291V204-P218 VanDerWaalsContact O-CA 3.31Å; V204-P218 WeakPolarHBondContact O-CA 3.38Å; V204-P218 VanDerWaalsContact O-CB 3.29Å; V204-P218 WeakPolarHBondContact O-CB 3.47Å; V204-F219 WeakPolarHBondContact CA-O 3.18Å; V204-F219 HydrophobicContact CB-CD1 4.41Å; V204-F219 HydrophobicContact CB-CD2 4.04Å; V204-F219 HydrophobicContact CB-CE1 4.06Å; V204-F219 HydrophobicContact CB-CE2 3.69Å; V204-F219 HydrophobicContact CB-CG 4.39Å; V204-F219 HydrophobicContact CB-CZ 3.71Å; V204-F219 WeakPolarHBondContact CB-O 3.03Å; V204-F219 HydrophobicContact CG1-CE1 3.9Å; V204-F219 HydrophobicContact CG1-CE2 3.93Å; V204-F219 HydrophobicContact CG1-CZ 3.47Å; V204-F219 VanDerWaalsContact CG1-CZ 3.47Å; V204-F219 HydrophobicContact CG2-CD2 4.1Å; V204-F219 HydrophobicContact CG2-CE2 3.7Å; V204-F219 HydrophobicContact CG2-CZ 4.16Å; V204-F219 PolarHBondContact N-O 3.5Å; V204-F219 PolarHBondContact O-N 2.88Å; V204-F219 VanDerWaalsContact O-N 3.15Å; V204-I221 HydrophobicContact CG2-CB 4.12Å; V204-I221 HydrophobicContact CG2-CG2 3.48Å; V204-I221 VanDerWaalsContact CG2-CG2 3.48Å; V204-L289 CarbonylContact C-O 3.57Å; V204-L289 WeakPolarHBondContact CA-O 3.4Å; V204-L289 HydrophobicContact CB-CB 4.48Å; V204-L289 HydrophobicContact CG1-CB 4.26Å; V204-L289 HydrophobicContact CG1-CD2 4.22Å; V204-L289 HydrophobicContact CG1-CG 4.26Å; V204-L289 HydrophobicContact CG2-CB 4.16Å; V204-L289 HydrophobicContact CG2-CD2 4.19Å; V204-L291 HydrophobicContact CG1-CD1 3.58Å; V204-L291 HydrophobicContact CG1-CD2 4.04Å; V204-L291 HydrophobicContact CG1-CG 3.63Å
205T97.6Very high94.7Very high1 Ų156 Ų561%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-142.5139.8178.8-61.60000111.3H161 R162 T214 W288 L289 G290 L291H161-T205 WeakPolarHBondContact O-CG2 3.48Å; R162-T205 HydrophobicContact CG-CG2 3.72Å; T205-T214 HydrophobicContact CG2-CG2 3.68Å; T205-W288 HydrophobicContact CG2-CZ3 4.37Å; T205-L289 PolarHBondContact N-O 2.72Å; T205-G290 WeakPolarHBondContact O-CA 3.33Å; T205-L291 PolarHBondContact O-N 3.23Å
206H98Very high94.8Very high13 Ų1354.4 Ų54.46%0.0628%0.275CS..EExtended strand (participates in β ladder)trans-82.3141.6172.6-46.7-85.4000111.1T214 F215 L291 H293H206-T214 CarbonylContact O-C 3.59Å; H206-T214 WeakPolarHBondContact O-CA 3.43Å; H206-F215 HydrophobicContact CB-CD1 4.46Å; H206-F215 HydrophobicContact CB-CD2 4.1Å; H206-F215 HydrophobicContact CB-CE1 4.21Å; H206-F215 HydrophobicContact CB-CE2 3.82Å; H206-F215 HydrophobicContact CB-CG 4.41Å; H206-F215 HydrophobicContact CB-CZ 3.89Å; H206-F215 WeakPolarHBondContact CB-O 3.42Å; H206-F215 PolarHBondContact O-N 3.13Å; H206-L291 WeakPolarHBondContact CA-O 3.42Å; H206-H293 WeakPolarHBondContact CB-NE2 3.38Å; H206-H293 AromaticContact CE1-NE2 3.98Å; H206-H293 AromaticContact CG-NE2 3.47Å; H206-H293 AromaticContact ND1-CD2 3.74Å; H206-H293 AromaticContact ND1-NE2 3Å; H206-H293 PolarHBondContact ND1-NE2 3.04Å
207F97.2Very high95.1Very high1 Ų151.5 Ų51.50%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-145.9169.3171.774.8-80.1000110.2D210 T211 H213 T214 F215 Y262 W288 L291 D292 H293F207-D210 VanDerWaalsContact CD2-C 3.49Å; F207-D210 WeakPolarHBondContact CD2-O 3.39Å; F207-T211 HydrophobicContact CD2-CG2 4.17Å; F207-T211 HydrophobicContact CE2-CG2 3.94Å; F207-T211 HydrophobicContact CZ-CG2 4.12Å; F207-H213 VanDerWaalsContact CA-O 3.3Å; F207-H213 WeakPolarHBondContact CA-O 3.44Å; F207-T214 HydrophobicContact CB-CG2 4.24Å; F207-F215 VanDerWaalsContact C-CE1 3.42Å; F207-F215 WeakPolarHBondContact O-CE1 3.25Å; F207-Y262 HydrophobicContact CZ-CE1 4.41Å; F207-W288 HydrophobicContact CD1-CH2 4.42Å; F207-W288 HydrophobicContact CD1-CZ3 4.35Å; F207-L291 PolarHBondContact N-O 2.82Å; F207-L291 VanDerWaalsContact O-O 3.12Å; F207-D292 HydrophobicContact CD1-CB 4.43Å; F207-D292 HydrophobicContact CD2-CB 4.44Å; F207-D292 HydrophobicContact CE1-CB 3.8Å; F207-D292 HydrophobicContact CE2-CB 3.84Å; F207-D292 HydrophobicContact CZ-CB 3.51Å; F207-D292 VanDerWaalsContact O-CA 3.31Å; F207-D292 WeakPolarHBondContact O-CA 3.23Å; F207-H293 PolarHBondContact O-N 2.84Å; F207-H293 VanDerWaalsContact O-O 3.12Å
208H96.1Very high95.5Very high59 Ų5942.8 Ų42.827%0.27322%0.215SC..SBendtrans-132.9115.3174.5-172.145.8000111.7D210 H213 F215 D292 H293H208-D210 PolarHBondContact O-N 3.41Å; H208-H213 PolarHBondContact N-O 3.41Å; H208-F215 HydrophobicContact CB-CE1 4Å; H208-D292 WeakPolarHBondContact CA-OD1 3.48Å; H208-D292 IonicContact ND1-OD1 3.47Å; H208-H293 VanDerWaalsContact CB-O 3.28Å; H208-H293 WeakPolarHBondContact CB-O 3.44Å; H208-H293 PolarHBondContact ND1-O 3.42Å
209K92.8Very high95.7Very high165 Ų16540.4 Ų40.472%0.71720%0.199SC*.SBendtrans62.7-41-179-58.6175.1177.3177.40115.6D292K209-D292 PolarHBondContact N-OD1 2.86Å
210D93.3Very high95.7Very high66 Ų6640.4 Ų40.435%0.35320%0.198SC..SBendtrans-124.1129-178.1-170.4-31.5000109.6F207 H208 Y212 H213F207-D210 VanDerWaalsContact CD2-C 3.49Å; F207-D210 WeakPolarHBondContact CD2-O 3.39Å; H208-D210 PolarHBondContact O-N 3.41Å; D210-Y212 PolarHBondContact O-N 3.26Å; D210-Y212 VanDerWaalsContact O-N 3.15Å; D210-Y212 WeakPolarHBondContact OD1-CD2 3.43Å; D210-Y212 PolarHBondContact OD1-N 3.2Å; D210-H213 HydrophobicContact CB-CB 4.45Å; D210-H213 PolarHBondContact O-N 2.75Å
211T93.2Very high95.9Very high28 Ų2839.1 Ų39.117%0.17219%0.193CC..THydrogen-bonded Turntrans-64.9-11.6179.652.20000114.4F207 T214 T260 W288F207-T211 HydrophobicContact CD2-CG2 4.17Å; F207-T211 HydrophobicContact CE2-CG2 3.94Å; F207-T211 HydrophobicContact CZ-CG2 4.12Å; T211-T214 WeakPolarHBondContact O-CG2 3.33Å; T211-T260 HydrophobicContact CG2-CG2 4Å; T211-T260 WeakPolarHBondContact CG2-OG1 3.46Å; T211-W288 HydrophobicContact CG2-CH2 4.08Å; T211-W288 HydrophobicContact CG2-CZ2 4.29Å
212Y92.2Very high96Very high170 Ų17038.6 Ų38.667%0.66719%0.19SC*.THydrogen-bonded Turntrans-83.7-20.7169.4-65.7-73.9000112.7D210 T214D210-Y212 PolarHBondContact O-N 3.26Å; D210-Y212 VanDerWaalsContact O-N 3.15Å; D210-Y212 WeakPolarHBondContact OD1-CD2 3.43Å; D210-Y212 PolarHBondContact OD1-N 3.2Å; Y212-T214 VanDerWaalsContact C-N 3.27Å; Y212-T214 PolarHBondContact O-N 3.14Å; Y212-T214 VanDerWaalsContact O-N 3.16Å
213H94.3Very high96Very high124 Ų12438.4 Ų38.457%0.57419%0.189SC*.SBendtrans-90.561.6176.8-64.5157.8000111.3F207 H208 D210F207-H213 VanDerWaalsContact CA-O 3.3Å; F207-H213 WeakPolarHBondContact CA-O 3.44Å; H208-H213 PolarHBondContact N-O 3.41Å; D210-H213 HydrophobicContact CB-CB 4.45Å; D210-H213 PolarHBondContact O-N 2.75Å
214T95.9Very high96Very high17 Ų1744.4 Ų44.410%0.10421%0.21CC..EExtended strand (participates in β ladder)trans-79.6149.8177.650.70000111.7S160 H161 R162 T205 H206 F207 T211 Y212S160-T214 WeakPolarHBondContact O-CB 3.45Å; S160-T214 PolarHBondContact O-OG1 3.45Å; H161-T214 PolarHBondContact CD2-O 2.88Å; R162-T214 HydrophobicContact CG-CG2 4.05Å; T205-T214 HydrophobicContact CG2-CG2 3.68Å; H206-T214 CarbonylContact O-C 3.59Å; H206-T214 WeakPolarHBondContact O-CA 3.43Å; F207-T214 HydrophobicContact CB-CG2 4.24Å; T211-T214 WeakPolarHBondContact O-CG2 3.33Å; Y212-T214 VanDerWaalsContact C-N 3.27Å; Y212-T214 PolarHBondContact O-N 3.14Å; Y212-T214 VanDerWaalsContact O-N 3.16Å
215F96.7Very high95.9Very high18 Ų1847.3 Ų47.38%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-154.4177.4179.465.3-92000112.1H206 F207 H208 H293 N295H206-F215 HydrophobicContact CB-CD1 4.46Å; H206-F215 HydrophobicContact CB-CD2 4.1Å; H206-F215 HydrophobicContact CB-CE1 4.21Å; H206-F215 HydrophobicContact CB-CE2 3.82Å; H206-F215 HydrophobicContact CB-CG 4.41Å; H206-F215 HydrophobicContact CB-CZ 3.89Å; H206-F215 WeakPolarHBondContact CB-O 3.42Å; H206-F215 PolarHBondContact O-N 3.13Å; F207-F215 VanDerWaalsContact C-CE1 3.42Å; F207-F215 WeakPolarHBondContact O-CE1 3.25Å; H208-F215 HydrophobicContact CB-CE1 4Å; F215-H293 WeakPolarHBondContact CE1-O 3.21Å; F215-H293 AromaticContact CE2-CE1 3.48Å; F215-H293 VanDerWaalsContact CE2-CE1 3.48Å; F215-H293 WeakPolarHBondContact CE2-CE1 3.49Å; F215-H293 AromaticContact CE2-NE2 3.55Å; F215-H293 AromaticContact CZ-CD2 3.8Å; F215-H293 AromaticContact CZ-CE1 3.5Å; F215-H293 VanDerWaalsContact CZ-CE1 3.5Å; F215-H293 WeakPolarHBondContact CZ-CE1 3.29Å; F215-H293 AromaticContact CZ-ND1 3.91Å; F215-H293 AromaticContact CZ-NE2 3.4Å; F215-H293 WeakPolarHBondContact CZ-NE2 3.34Å; F215-H293 VanDerWaalsContact CZ-O 3.31Å; F215-H293 WeakPolarHBondContact CZ-O 3.25Å; F215-N295 WeakPolarHBondContact CB-ND2 3.4Å; F215-N295 HydrophobicContact CD1-CB 3.86Å; F215-N295 HydrophobicContact CD2-CB 3.57Å; F215-N295 VanDerWaalsContact CD2-CG 3.41Å; F215-N295 HydrophobicContact CE1-CB 3.84Å; F215-N295 HydrophobicContact CE2-CB 3.58Å; F215-N295 HydrophobicContact CG-CB 3.72Å; F215-N295 HydrophobicContact CZ-CB 3.72Å
216G95.5Very high95.8Very high37 Ų3753.1 Ų53.138%0.38125%0.253SS..EExtended strand (participates in β ladder)trans73.9-160174.800000113H161H161-G216 PolarHBondContact ND1-O 3.29Å; H161-G216 VanDerWaalsContact ND1-O 3.1Å
217V96.5Very high95.6Very high43 Ų4353.3 Ų53.326%0.26125%0.253SS..EExtended strand (participates in β ladder)trans-101.8109.7-178.9-1790000108.1M113 L117 V119M113-V217 HydrophobicContact SD-CG1 3.73Å; L117-V217 HydrophobicContact CB-CG1 4.48Å; V119-V217 HydrophobicContact CG2-CB 4.5Å; V119-V217 HydrophobicContact CG2-CG1 3.71Å; V119-V217 HydrophobicContact CG2-CG2 3.9Å
218P97.5Very high95.5Very high4 Ų456.4 Ų56.43%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-74.5153174.434.5-38.6000110.4I158 H161 L163 R183 V204I158-P218 HydrophobicContact CD1-CG 4.45Å; I158-P218 HydrophobicContact CG2-CG 4.36Å; H161-P218 VanDerWaalsContact O-CB 3.26Å; H161-P218 WeakPolarHBondContact O-CB 3.18Å; H161-P218 VanDerWaalsContact O-CG 3.23Å; H161-P218 WeakPolarHBondContact O-CG 3.37Å; L163-P218 HydrophobicContact CD1-CB 4.37Å; L163-P218 HydrophobicContact CD2-CB 4.34Å; L163-P218 HydrophobicContact CD2-CG 4Å; L163-P218 HydrophobicContact CG-CB 3.93Å; L163-P218 HydrophobicContact CG-CG 4.08Å; R183-P218 VanDerWaalsContact CZ-O 3.23Å; R183-P218 PolarHBondContact NH1-O 3.3Å; R183-P218 PolarHBondContact NH2-O 2.95Å; V204-P218 VanDerWaalsContact O-CA 3.31Å; V204-P218 WeakPolarHBondContact O-CA 3.38Å; V204-P218 VanDerWaalsContact O-CB 3.29Å; V204-P218 WeakPolarHBondContact O-CB 3.47Å
219F98Very high95.4Very high2 Ų253.7 Ų53.71%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-148.1164.3-176.458.7-86.5000110.8L117 L163 V204 I236 L239 L240 L291L117-F219 HydrophobicContact CD1-CD1 4.01Å; L117-F219 HydrophobicContact CD1-CG 4.28Å; L117-F219 HydrophobicContact CD2-CB 3.9Å; L117-F219 HydrophobicContact CD2-CG 4.45Å; L163-F219 VanDerWaalsContact CD1-C 3.4Å; L163-F219 WeakPolarHBondContact CD1-O 3.41Å; V204-F219 WeakPolarHBondContact CA-O 3.18Å; V204-F219 HydrophobicContact CB-CD1 4.41Å; V204-F219 HydrophobicContact CB-CD2 4.04Å; V204-F219 HydrophobicContact CB-CE1 4.06Å; V204-F219 HydrophobicContact CB-CE2 3.69Å; V204-F219 HydrophobicContact CB-CG 4.39Å; V204-F219 HydrophobicContact CB-CZ 3.71Å; V204-F219 WeakPolarHBondContact CB-O 3.03Å; V204-F219 HydrophobicContact CG1-CE1 3.9Å; V204-F219 HydrophobicContact CG1-CE2 3.93Å; V204-F219 HydrophobicContact CG1-CZ 3.47Å; V204-F219 VanDerWaalsContact CG1-CZ 3.47Å; V204-F219 HydrophobicContact CG2-CD2 4.1Å; V204-F219 HydrophobicContact CG2-CE2 3.7Å; V204-F219 HydrophobicContact CG2-CZ 4.16Å; V204-F219 PolarHBondContact N-O 3.5Å; V204-F219 PolarHBondContact O-N 2.88Å; V204-F219 VanDerWaalsContact O-N 3.15Å; F219-I236 HydrophobicContact CE2-CG1 4.49Å; F219-I236 HydrophobicContact CZ-CG2 4.18Å; F219-L239 HydrophobicContact CD2-CD2 3.43Å; F219-L239 VanDerWaalsContact CD2-CD2 3.43Å; F219-L239 HydrophobicContact CE2-CD2 3.62Å; F219-L239 HydrophobicContact CG-CD2 4.06Å; F219-L239 HydrophobicContact CZ-CD2 4.4Å; F219-L240 HydrophobicContact CD1-CD2 4.43Å; F219-L240 HydrophobicContact CE1-CD2 3.7Å; F219-L240 HydrophobicContact CE1-CG 4.4Å; F219-L240 HydrophobicContact CZ-CD2 4.14Å; F219-L240 HydrophobicContact CZ-CG 4.37Å; F219-L291 HydrophobicContact CE1-CD1 4.35Å; F219-L291 HydrophobicContact CZ-CD1 4.2Å
220Y97.3Very high95.5Very high18 Ų1848.6 Ų48.67%0.07125%0.246CC..EExtended strand (participates in β ladder)trans-96.1144.9172.1-73.9-75.9000110.9V156 L163 I166 Q191 L201 L202 P203V156-Y220 HydrophobicContact CG1-CE2 3.86Å; V156-Y220 HydrophobicContact CG2-CE2 3.98Å; L163-Y220 HydrophobicContact CB-CE2 4.33Å; L163-Y220 HydrophobicContact CD1-CD1 4.14Å; L163-Y220 HydrophobicContact CD1-CD2 3.67Å; L163-Y220 HydrophobicContact CD1-CE1 4.13Å; L163-Y220 HydrophobicContact CD1-CE2 3.66Å; L163-Y220 HydrophobicContact CD1-CG 3.93Å; L163-Y220 HydrophobicContact CD2-CE2 4.41Å; L163-Y220 HydrophobicContact CG-CE2 4.32Å; I166-Y220 HydrophobicContact CD1-CE2 3.96Å; I166-Y220 HydrophobicContact CG1-CE2 3.82Å; I166-Y220 WeakPolarHBondContact CG1-OH 3.49Å; Q191-Y220 PolarHBondContact NE2-O 3.16Å; L201-Y220 HydrophobicContact CD1-CD1 4.5Å; L201-Y220 HydrophobicContact CD1-CG 4.34Å; L201-Y220 HydrophobicContact CD2-CD1 3.79Å; L201-Y220 HydrophobicContact CD2-CD2 4.28Å; L201-Y220 HydrophobicContact CD2-CE1 4.23Å; L201-Y220 HydrophobicContact CD2-CG 3.81Å; L201-Y220 HydrophobicContact CG-CD1 3.61Å; L201-Y220 HydrophobicContact CG-CE1 4.36Å; L201-Y220 HydrophobicContact CG-CG 3.83Å; L202-Y220 WeakPolarHBondContact O-CA 3.16Å; P203-Y220 HydrophobicContact CB-CD1 4.32Å; P203-Y220 HydrophobicContact CB-CE1 4.04Å; P203-Y220 HydrophobicContact CG-CD1 4.29Å; P203-Y220 HydrophobicContact CG-CE1 3.76Å
221I97Very high95.6Very high7 Ų747.2 Ų47.24%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-126.4137.8167.4-167.6166000110.1L202 V204 I223 V232 R235 I236L202-I221 HydrophobicContact CB-CG2 4.05Å; L202-I221 PolarHBondContact N-O 3.34Å; L202-I221 PolarHBondContact O-N 3Å; V204-I221 HydrophobicContact CG2-CB 4.12Å; V204-I221 HydrophobicContact CG2-CG2 3.48Å; V204-I221 VanDerWaalsContact CG2-CG2 3.48Å; I221-I223 HydrophobicContact CG2-CG2 4.27Å; I221-V232 HydrophobicContact CD1-CG1 4.03Å; I221-R235 HydrophobicContact CD1-CB 3.81Å; I221-I236 HydrophobicContact CD1-CD1 4.25Å; I221-I236 HydrophobicContact CD1-CG1 3.45Å; I221-I236 VanDerWaalsContact CD1-CG1 3.45Å
222K96.7Very high95.7Very high21 Ų2145.9 Ų45.99%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-79.1132.6170.8-167.3168.978.8166.90110.1D190 Q191 S193 V194 E199 Y200 R235D190-K222 WeakPolarHBondContact O-CD 3.15Å; D190-K222 WeakPolarHBondContact O-CE 3.06Å; D190-K222 PolarHBondContact O-NZ 3.01Å; Q191-K222 HydrophobicContact CG-CB 4.4Å; S193-K222 PolarHBondContact O-NZ 3.36Å; V194-K222 HydrophobicContact CG1-CD 4.3Å; V194-K222 HydrophobicContact CG2-CD 3.97Å; E199-K222 HydrophobicContact CB-CD 4.32Å; E199-K222 HydrophobicContact CB-CG 4.35Å; E199-K222 WeakPolarHBondContact OE1-CE 3.44Å; E199-K222 IonicContact OE1-NZ 3.52Å; E199-K222 PolarHBondContact OE1-NZ 2.91Å; E199-K222 VanDerWaalsContact OE1-NZ 3.09Å; E199-K222 WeakPolarHBondContact OE2-CD 3.29Å; E199-K222 WeakPolarHBondContact OE2-CE 3.14Å; E199-K222 IonicContact OE2-NZ 2.72Å; E199-K222 PolarHBondContact OE2-NZ 3.11Å; Y200-K222 WeakPolarHBondContact O-CA 3.4Å; K222-R235 PolarHBondContact O-NH2 2.81Å
223I96.4Very high95.9Very high0 Ų040.5 Ų40.50%021%0.213CC..EExtended strand (participates in β ladder)trans-122.3155.717363.2173.8000109.4E199 Y200 L202 I221 V232 I270 L272 F275E199-I223 CarbonylContact C-O 3.59Å; E199-I223 VanDerWaalsContact CA-O 3.26Å; E199-I223 WeakPolarHBondContact CA-O 3.36Å; Y200-I223 HydrophobicContact CD1-CD1 4.16Å; Y200-I223 HydrophobicContact CD1-CG1 4.42Å; Y200-I223 PolarHBondContact N-O 3.21Å; Y200-I223 WeakPolarHBondContact O-CG1 3.28Å; Y200-I223 PolarHBondContact O-N 3.02Å; L202-I223 HydrophobicContact CB-CD1 4.23Å; L202-I223 HydrophobicContact CB-CG1 4.47Å; L202-I223 HydrophobicContact CB-CG2 4.4Å; L202-I223 HydrophobicContact CD2-CD1 4.17Å; L202-I223 HydrophobicContact CD2-CG2 4.31Å; I221-I223 HydrophobicContact CG2-CG2 4.27Å; I223-V232 HydrophobicContact CG2-CG1 4.01Å; I223-V232 HydrophobicContact CG2-CG2 4.08Å; I223-I270 HydrophobicContact CB-CG2 4.41Å; I223-I270 HydrophobicContact CD1-CG2 3.77Å; I223-I270 HydrophobicContact CG1-CG2 4.3Å; I223-L272 HydrophobicContact CD1-CD2 3.82Å; I223-L272 HydrophobicContact CG1-CD2 3.98Å; I223-F275 HydrophobicContact CD1-CD1 4.25Å; I223-F275 HydrophobicContact CD1-CD2 4.16Å; I223-F275 HydrophobicContact CD1-CE1 4Å; I223-F275 HydrophobicContact CD1-CE2 3.91Å; I223-F275 HydrophobicContact CD1-CG 4.31Å; I223-F275 HydrophobicContact CD1-CZ 3.81Å
224R96.1Very high96Very high139 Ų13941 Ų4153%0.52522%0.216SC..EExtended strand (participates in β ladder)trans-117.1151.9175.9-56.3-172.7162.7155.1-4.6111.3S198 E199 E227 I270S198-R224 CarbonylContact O-C 3.59Å; S198-R224 WeakPolarHBondContact O-CA 3.25Å; E199-R224 HydrophobicContact CG-CG 4.1Å; E199-R224 IonicContact OE1-CZ 3.35Å; E199-R224 IonicContact OE1-NE 2.76Å; E199-R224 PolarHBondContact OE1-NE 2.76Å; E199-R224 IonicContact OE1-NH2 3.03Å; E199-R224 PolarHBondContact OE1-NH2 2.95Å; R224-E227 HydrophobicContact CB-CB 4.23Å; R224-E227 PolarHBondContact N-OE2 3.17Å; R224-E227 VanDerWaalsContact N-OE2 3.12Å; R224-E227 WeakPolarHBondContact O-CB 3.26Å; R224-E227 PolarHBondContact O-N 3.32Å; R224-I270 WeakPolarHBondContact O-CB 3.45Å; R224-I270 VanDerWaalsContact O-CG2 3.22Å; R224-I270 WeakPolarHBondContact O-CG2 3.19Å
225N95.4Very high96Very high61 Ų6144.2 Ų44.233%0.32623%0.226SC..THydrogen-bonded Turntrans-61142.4169.6-159.763.1000110.2S198 E227 L272S198-N225 PolarHBondContact O-N 3.46Å; N225-E227 PolarHBondContact O-N 2.91Å; N225-L272 HydrophobicContact CB-CB 4.44Å; N225-L272 HydrophobicContact CB-CD1 3.84Å; N225-L272 HydrophobicContact CB-CG 3.76Å; N225-L272 PolarHBondContact OD1-N 3.45Å
226E94.8Very high96Very high123 Ų12343.3 Ų43.358%0.57522%0.222SC*.THydrogen-bonded Turntrans63.215-175.3-50.8-52.613100115.2V269 I270E226-V269 VanDerWaalsContact C-CG1 3.43Å; E226-V269 VanDerWaalsContact CA-CG1 3.45Å; E226-V269 HydrophobicContact CB-CG1 4.33Å; E226-I270 PolarHBondContact N-O 3.32Å
227E95Very high96.1Very high17 Ų1743.3 Ų43.38%0.07921%0.212CC..  trans-76.6131.2177.4-175.9173.4-171.200111.8R224 N225 F229 S231 V232 R235 V269 I270R224-E227 HydrophobicContact CB-CB 4.23Å; R224-E227 PolarHBondContact N-OE2 3.17Å; R224-E227 VanDerWaalsContact N-OE2 3.12Å; R224-E227 WeakPolarHBondContact O-CB 3.26Å; R224-E227 PolarHBondContact O-N 3.32Å; N225-E227 PolarHBondContact O-N 2.91Å; E227-F229 PolarHBondContact O-N 2.78Å; E227-S231 WeakPolarHBondContact OE1-CB 3.38Å; E227-S231 PolarHBondContact OE1-OG 3.27Å; E227-V232 HydrophobicContact CG-CG2 4.15Å; E227-R235 IonicContact OE1-CZ 3.12Å; E227-R235 IonicContact OE1-NH1 2.61Å; E227-R235 PolarHBondContact OE1-NH1 2.93Å; E227-R235 IonicContact OE1-NH2 2.88Å; E227-R235 PolarHBondContact OE1-NH2 3.32Å; E227-R235 IonicContact OE2-CZ 3.73Å; E227-R235 IonicContact OE2-NH1 3.79Å; E227-R235 IonicContact OE2-NH2 2.78Å; E227-R235 PolarHBondContact OE2-NH2 3Å; E227-V269 WeakPolarHBondContact O-CA 3.24Å; E227-I270 HydrophobicContact CB-CB 4.28Å; E227-I270 HydrophobicContact CB-CG1 4.14Å; E227-I270 WeakPolarHBondContact O-CG1 3.33Å; E227-I270 PolarHBondContact O-N 3.23Å
228P94.8Very high96.1Very high65 Ų6550 Ų5042%0.42224%0.238SC..BIsolated β-bridgetrans-61.7129.8169.3-22.233.5000111.3S230 S231P228-S230 PolarHBondContact O-N 2.84Å; P228-S230 VanDerWaalsContact O-N 3.14Å; P228-S231 VanDerWaalsContact O-CB 3.32Å; P228-S231 WeakPolarHBondContact O-CB 3.49Å; P228-S231 PolarHBondContact O-N 2.72Å
229F94.5Very high96Very high3 Ų352.8 Ų52.81%0.01325%0.252CS..Hα-helixtrans-64.5-22.5-178.5-172.2-122.7000113.4E227 S231 V232 K233 F252 F263 F268 I270 L289E227-F229 PolarHBondContact O-N 2.78Å; F229-S231 VanDerWaalsContact C-N 3.29Å; F229-S231 PolarHBondContact O-N 3.24Å; F229-V232 HydrophobicContact CD2-CB 3.85Å; F229-V232 HydrophobicContact CD2-CG1 4.23Å; F229-V232 HydrophobicContact CD2-CG2 4.24Å; F229-V232 HydrophobicContact CE2-CB 4.17Å; F229-V232 HydrophobicContact CE2-CG1 4.08Å; F229-V232 WeakPolarHBondContact O-CB 3.41Å; F229-V232 PolarHBondContact O-N 3.29Å; F229-V232 VanDerWaalsContact O-N 3.16Å; F229-K233 HydrophobicContact CD1-CD 4.34Å; F229-K233 HydrophobicContact CD1-CG 4.25Å; F229-K233 HydrophobicContact CE1-CD 4.2Å; F229-K233 HydrophobicContact CE1-CG 3.99Å; F229-K233 HydrophobicContact CZ-CG 4.25Å; F229-K233 WeakPolarHBondContact O-CG 3.27Å; F229-K233 PolarHBondContact O-N 2.92Å; F229-F252 HydrophobicContact CE1-CB 3.7Å; F229-F252 HydrophobicContact CE1-CD1 4.36Å; F229-F252 AromaticContact CE1-CG 4Å; F229-F252 HydrophobicContact CE1-CG 4Å; F229-F252 HydrophobicContact CZ-CB 3.7Å; F229-F252 AromaticContact CZ-CD1 3.93Å; F229-F252 HydrophobicContact CZ-CD1 3.93Å; F229-F252 AromaticContact CZ-CG 3.96Å; F229-F252 HydrophobicContact CZ-CG 3.96Å; F229-F263 HydrophobicContact CD1-CB 4.19Å; F229-F263 HydrophobicContact CD1-CD2 4.22Å; F229-F263 HydrophobicContact CD1-CG 4.14Å; F229-F263 HydrophobicContact CE1-CB 3.99Å; F229-F263 AromaticContact CE1-CD2 3.47Å; F229-F263 HydrophobicContact CE1-CD2 3.47Å; F229-F263 VanDerWaalsContact CE1-CD2 3.47Å; F229-F263 HydrophobicContact CE1-CE2 4.07Å; F229-F263 AromaticContact CE1-CG 3.81Å; F229-F263 HydrophobicContact CE1-CG 3.81Å; F229-F263 HydrophobicContact CE2-CD2 4.33Å; F229-F263 HydrophobicContact CE2-CE2 4.11Å; F229-F263 AromaticContact CZ-CD2 3.56Å; F229-F263 HydrophobicContact CZ-CD2 3.56Å; F229-F263 AromaticContact CZ-CE2 3.69Å; F229-F263 HydrophobicContact CZ-CE2 3.69Å; F229-F263 HydrophobicContact CZ-CG 4.29Å; F229-F263 HydrophobicContact CZ-CZ 4.49Å; F229-F268 HydrophobicContact CB-CB 4.01Å; F229-F268 HydrophobicContact CB-CD1 3.73Å; F229-F268 HydrophobicContact CB-CG 4.36Å; F229-F268 VanDerWaalsContact CB-O 3.26Å; F229-F268 WeakPolarHBondContact CB-O 3.41Å; F229-F268 HydrophobicContact CD1-CD1 4.43Å; F229-F268 HydrophobicContact CD2-CD1 4.37Å; F229-F268 AromaticContact CG-CD1 3.94Å; F229-F268 HydrophobicContact CG-CD1 3.94Å; F229-F268 PolarHBondContact N-O 2.97Å; F229-I270 HydrophobicContact CD2-CD1 4.04Å; F229-L289 HydrophobicContact CE2-CD1 4.24Å; F229-L289 HydrophobicContact CE2-CD2 4.35Å; F229-L289 HydrophobicContact CZ-CD1 4.01Å
230S94.2Very high95.9Very high57 Ų5754.3 Ų54.340%0.39926%0.26SS..Hα-helixtrans-57.4-39169.553.90000112.7P228 K233 Q234P228-S230 PolarHBondContact O-N 2.84Å; P228-S230 VanDerWaalsContact O-N 3.14Å; S230-K233 PolarHBondContact O-N 2.86Å; S230-Q234 WeakPolarHBondContact O-CG 3.4Å; S230-Q234 PolarHBondContact O-N 2.96Å
231S95.2Very high95.8Very high37 Ų3760.4 Ų60.426%0.25929%0.294SS..Hα-helixtrans-65.5-41.9173.5166.60000111.5E227 P228 F229 K233 Q234 R235E227-S231 WeakPolarHBondContact OE1-CB 3.38Å; E227-S231 PolarHBondContact OE1-OG 3.27Å; P228-S231 VanDerWaalsContact O-CB 3.32Å; P228-S231 WeakPolarHBondContact O-CB 3.49Å; P228-S231 PolarHBondContact O-N 2.72Å; F229-S231 VanDerWaalsContact C-N 3.29Å; F229-S231 PolarHBondContact O-N 3.24Å; S231-K233 PolarHBondContact O-N 2.92Å; S231-Q234 PolarHBondContact O-N 3.07Å; S231-R235 PolarHBondContact O-N 3.34Å; S231-R235 VanDerWaalsContact O-N 3.07Å; S231-R235 PolarHBondContact OG-NH1 3.05Å
232V95.7Very high95.6Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-62-44.3175.7-175.10000110.7I221 I223 E227 F229 Q234 R235 I236 I270I221-V232 HydrophobicContact CD1-CG1 4.03Å; I223-V232 HydrophobicContact CG2-CG1 4.01Å; I223-V232 HydrophobicContact CG2-CG2 4.08Å; E227-V232 HydrophobicContact CG-CG2 4.15Å; F229-V232 HydrophobicContact CD2-CB 3.85Å; F229-V232 HydrophobicContact CD2-CG1 4.23Å; F229-V232 HydrophobicContact CD2-CG2 4.24Å; F229-V232 HydrophobicContact CE2-CB 4.17Å; F229-V232 HydrophobicContact CE2-CG1 4.08Å; F229-V232 WeakPolarHBondContact O-CB 3.41Å; F229-V232 PolarHBondContact O-N 3.29Å; F229-V232 VanDerWaalsContact O-N 3.16Å; V232-Q234 PolarHBondContact O-N 2.92Å; V232-R235 PolarHBondContact O-N 2.91Å; V232-I236 HydrophobicContact CG1-CD1 4.07Å; V232-I236 WeakPolarHBondContact O-CG1 3.49Å; V232-I236 PolarHBondContact O-N 3.11Å; V232-I270 HydrophobicContact CG2-CD1 4.43Å; V232-I270 HydrophobicContact CG2-CG1 4.18Å
233K95.8Very high95.6Very high58 Ų5864.1 Ų64.125%0.25232%0.32SS..Hα-helixtrans-58.2-47174.8-75.8-176.8-177.8-177.20112.1F229 S230 S231 R235 I236 Q237 Y247 F252F229-K233 HydrophobicContact CD1-CD 4.34Å; F229-K233 HydrophobicContact CD1-CG 4.25Å; F229-K233 HydrophobicContact CE1-CD 4.2Å; F229-K233 HydrophobicContact CE1-CG 3.99Å; F229-K233 HydrophobicContact CZ-CG 4.25Å; F229-K233 WeakPolarHBondContact O-CG 3.27Å; F229-K233 PolarHBondContact O-N 2.92Å; S230-K233 PolarHBondContact O-N 2.86Å; S231-K233 PolarHBondContact O-N 2.92Å; K233-R235 VanDerWaalsContact C-N 3.31Å; K233-R235 PolarHBondContact O-N 2.69Å; K233-I236 PolarHBondContact O-N 3.42Å; K233-I236 VanDerWaalsContact O-N 3.15Å; K233-Q237 WeakPolarHBondContact O-CB 3.06Å; K233-Q237 PolarHBondContact O-N 3.02Å; K233-Y247 HydrophobicContact CB-CE1 4.22Å; K233-Y247 PolarHBondContact O-OH 3.36Å; K233-F252 HydrophobicContact CD-CD2 4.29Å; K233-F252 HydrophobicContact CD-CE2 4.09Å; K233-F252 HydrophobicContact CD-CZ 4.36Å; K233-F252 VanDerWaalsContact CE-CD2 3.5Å; K233-F252 HydrophobicContact CG-CD1 4.39Å; K233-F252 HydrophobicContact CG-CE1 4.11Å; K233-F252 HydrophobicContact CG-CE2 4.31Å; K233-F252 HydrophobicContact CG-CZ 4.11Å
234Q95.7Very high95.6Very high134 Ų13469.4 Ų69.463%0.62635%0.348SS*.Hα-helixtrans-59.1-42.3177.5-72.8174.12.300112.1S230 S231 V232 Q237 K238S230-Q234 WeakPolarHBondContact O-CG 3.4Å; S230-Q234 PolarHBondContact O-N 2.96Å; S231-Q234 PolarHBondContact O-N 3.07Å; V232-Q234 PolarHBondContact O-N 2.92Å; Q234-Q237 PolarHBondContact O-N 2.78Å; Q234-K238 WeakPolarHBondContact O-CB 3.09Å; Q234-K238 PolarHBondContact O-N 3.45Å
235R96.8Very high95.5Very high84 Ų8471 Ų7132%0.31736%0.359SS..Hα-helixtrans-62.3-43.8174.6-74.6-158.1-64.1-90.32.9112.4I221 K222 E227 S231 V232 K233 L239I221-R235 HydrophobicContact CD1-CB 3.81Å; K222-R235 PolarHBondContact O-NH2 2.81Å; E227-R235 IonicContact OE1-CZ 3.12Å; E227-R235 IonicContact OE1-NH1 2.61Å; E227-R235 PolarHBondContact OE1-NH1 2.93Å; E227-R235 IonicContact OE1-NH2 2.88Å; E227-R235 PolarHBondContact OE1-NH2 3.32Å; E227-R235 IonicContact OE2-CZ 3.73Å; E227-R235 IonicContact OE2-NH1 3.79Å; E227-R235 IonicContact OE2-NH2 2.78Å; E227-R235 PolarHBondContact OE2-NH2 3Å; S231-R235 PolarHBondContact O-N 3.34Å; S231-R235 VanDerWaalsContact O-N 3.07Å; S231-R235 PolarHBondContact OG-NH1 3.05Å; V232-R235 PolarHBondContact O-N 2.91Å; K233-R235 VanDerWaalsContact C-N 3.31Å; K233-R235 PolarHBondContact O-N 2.69Å; R235-L239 WeakPolarHBondContact O-CB 3.47Å; R235-L239 PolarHBondContact O-N 3.16Å
236I97.1Very high95.5Very high0 Ų070.3 Ų70.30%035%0.354CS..Hα-helixtrans-61.5-47.9176.5-68.8168.5000110.5F219 I221 V232 K233 K238 L239 L240 Y247 F252 L289 L291F219-I236 HydrophobicContact CE2-CG1 4.49Å; F219-I236 HydrophobicContact CZ-CG2 4.18Å; I221-I236 HydrophobicContact CD1-CD1 4.25Å; I221-I236 HydrophobicContact CD1-CG1 3.45Å; I221-I236 VanDerWaalsContact CD1-CG1 3.45Å; V232-I236 HydrophobicContact CG1-CD1 4.07Å; V232-I236 WeakPolarHBondContact O-CG1 3.49Å; V232-I236 PolarHBondContact O-N 3.11Å; K233-I236 PolarHBondContact O-N 3.42Å; K233-I236 VanDerWaalsContact O-N 3.15Å; I236-K238 VanDerWaalsContact C-N 3.34Å; I236-K238 PolarHBondContact O-N 3.43Å; I236-L239 PolarHBondContact O-N 2.93Å; I236-L240 HydrophobicContact CG2-CD1 3.6Å; I236-L240 HydrophobicContact CG2-CG 4.15Å; I236-L240 WeakPolarHBondContact O-CB 3.22Å; I236-L240 VanDerWaalsContact O-CG 3.29Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.11Å; I236-Y247 WeakPolarHBondContact CB-OH 3.31Å; I236-Y247 HydrophobicContact CG2-CE2 4.09Å; I236-Y247 WeakPolarHBondContact CG2-OH 3.35Å; I236-F252 HydrophobicContact CD1-CE1 4.37Å; I236-L289 HydrophobicContact CD1-CD2 3.38Å; I236-L291 HydrophobicContact CD1-CD2 4.47Å; I236-L291 HydrophobicContact CG2-CD1 4.11Å
237Q97.1Very high95.5Very high37 Ų3765.3 Ų65.317%0.17333%0.33CS..Hα-helixtrans-59.9-46-179-169.6-179.34.300111.7K233 Q234 L239 L240 D241 V242 D244 Y247K233-Q237 WeakPolarHBondContact O-CB 3.06Å; K233-Q237 PolarHBondContact O-N 3.02Å; Q234-Q237 PolarHBondContact O-N 2.78Å; Q237-L239 VanDerWaalsContact C-N 3.33Å; Q237-L239 PolarHBondContact O-N 3.15Å; Q237-L240 PolarHBondContact O-N 3.33Å; Q237-D241 PolarHBondContact O-N 3.19Å; Q237-V242 WeakPolarHBondContact CG-O 3.42Å; Q237-V242 PolarHBondContact NE2-O 2.94Å; Q237-V242 PolarHBondContact O-N 2.88Å; Q237-D244 PolarHBondContact NE2-OD1 3.46Å; Q237-Y247 HydrophobicContact CB-CD1 3.91Å; Q237-Y247 HydrophobicContact CB-CD2 4.16Å; Q237-Y247 HydrophobicContact CB-CE1 3.7Å; Q237-Y247 HydrophobicContact CB-CE2 3.95Å; Q237-Y247 HydrophobicContact CB-CG 4.14Å; Q237-Y247 HydrophobicContact CG-CD1 3.8Å; Q237-Y247 HydrophobicContact CG-CD2 3.97Å; Q237-Y247 HydrophobicContact CG-CE1 4.13Å; Q237-Y247 HydrophobicContact CG-CE2 4.28Å; Q237-Y247 HydrophobicContact CG-CG 3.71Å
238K96.3Very high95.4Very high184 Ų18471.9 Ų71.980%0.836%0.361SS*.Hα-helixtrans-61.4-41.3177-175.7-179.8179.1-177.40111.9Q234 I236 D241Q234-K238 WeakPolarHBondContact O-CB 3.09Å; Q234-K238 PolarHBondContact O-N 3.45Å; I236-K238 VanDerWaalsContact C-N 3.34Å; I236-K238 PolarHBondContact O-N 3.43Å; K238-D241 PolarHBondContact O-N 3.36Å
239L95.7Very high95.4Very high61 Ų6176.6 Ų76.632%0.31938%0.375SS..Hα-helixtrans-67.6-39.4178.4179.864.3000112.2L117 F219 R235 I236 Q237 D241L117-L239 HydrophobicContact CD1-CD1 4.35Å; L117-L239 HydrophobicContact CD1-CD2 4.2Å; L117-L239 HydrophobicContact CD1-CG 3.86Å; L117-L239 HydrophobicContact CD2-CD1 4.35Å; L117-L239 HydrophobicContact CG-CD1 4.19Å; L117-L239 HydrophobicContact CG-CG 4.25Å; F219-L239 HydrophobicContact CD2-CD2 3.43Å; F219-L239 VanDerWaalsContact CD2-CD2 3.43Å; F219-L239 HydrophobicContact CE2-CD2 3.62Å; F219-L239 HydrophobicContact CG-CD2 4.06Å; F219-L239 HydrophobicContact CZ-CD2 4.4Å; R235-L239 WeakPolarHBondContact O-CB 3.47Å; R235-L239 PolarHBondContact O-N 3.16Å; I236-L239 PolarHBondContact O-N 2.93Å; Q237-L239 VanDerWaalsContact C-N 3.33Å; Q237-L239 PolarHBondContact O-N 3.15Å; L239-D241 VanDerWaalsContact C-N 3.32Å
240L95.5Very high95.5Very high35 Ų3577.5 Ų77.518%0.18338%0.378CS..Hα-helixtrans-79.7-13.2179.9-66.3178.7000113.7L117 F219 I236 Q237 V242 Y250 L291L117-L240 HydrophobicContact CD1-CD2 3.89Å; F219-L240 HydrophobicContact CD1-CD2 4.43Å; F219-L240 HydrophobicContact CE1-CD2 3.7Å; F219-L240 HydrophobicContact CE1-CG 4.4Å; F219-L240 HydrophobicContact CZ-CD2 4.14Å; F219-L240 HydrophobicContact CZ-CG 4.37Å; I236-L240 HydrophobicContact CG2-CD1 3.6Å; I236-L240 HydrophobicContact CG2-CG 4.15Å; I236-L240 WeakPolarHBondContact O-CB 3.22Å; I236-L240 VanDerWaalsContact O-CG 3.29Å; I236-L240 WeakPolarHBondContact O-CG 3.33Å; I236-L240 PolarHBondContact O-N 3.11Å; Q237-L240 PolarHBondContact O-N 3.33Å; L240-V242 VanDerWaalsContact C-N 3.28Å; L240-V242 HydrophobicContact CB-CG2 3.71Å; L240-V242 PolarHBondContact O-N 2.86Å; L240-Y250 HydrophobicContact CD1-CE1 4.32Å; L240-L291 HydrophobicContact CD1-CD1 4Å
241D95.1Very high95.6Very high146 Ų14680.8 Ų80.878%0.78139%0.385SS*.THydrogen-bonded Turntrans51.944.1-174.9-16229.6000113Q237 K238 L239Q237-D241 PolarHBondContact O-N 3.19Å; K238-D241 PolarHBondContact O-N 3.36Å; L239-D241 VanDerWaalsContact C-N 3.32Å
242V94.1Very high95.6Very high21 Ų2179.5 Ų79.513%0.12738%0.375CS..  trans-99.2129.3-176.7176.50000111Q237 L240 E246 Y247Q237-V242 WeakPolarHBondContact CG-O 3.42Å; Q237-V242 PolarHBondContact NE2-O 2.94Å; Q237-V242 PolarHBondContact O-N 2.88Å; L240-V242 VanDerWaalsContact C-N 3.28Å; L240-V242 HydrophobicContact CB-CG2 3.71Å; L240-V242 PolarHBondContact O-N 2.86Å; V242-E246 HydrophobicContact CG1-CB 3.74Å; V242-E246 HydrophobicContact CG1-CG 3.6Å; V242-Y247 HydrophobicContact CB-CD2 4.4Å; V242-Y247 HydrophobicContact CG1-CD2 4.35Å
243P95.7Very high95.5Very high85 Ų8579.5 Ų79.555%0.55238%0.375SS*.  trans-60.1146.2176.2-23.833.4000113.4K245 E246 Y247P243-K245 VanDerWaalsContact C-N 3.34Å; P243-K245 PolarHBondContact O-N 3.44Å; P243-E246 WeakPolarHBondContact O-CA 3.27Å; P243-E246 WeakPolarHBondContact O-CB 3.37Å; P243-E246 PolarHBondContact O-N 2.8Å; P243-Y247 PolarHBondContact O-N 3.45Å
244D96.2Very high95.4Very high110 Ų11077.6 Ų77.659%0.58837%0.367SS*.Hα-helixtrans-49.1-49.8-176.8-61.3-26.8000113.2Q237 E246 Y247 E248Q237-D244 PolarHBondContact NE2-OD1 3.46Å; D244-E246 PolarHBondContact O-N 2.82Å; D244-E246 VanDerWaalsContact O-N 3.08Å; D244-Y247 PolarHBondContact O-N 3.24Å; D244-E248 WeakPolarHBondContact O-CG 3.16Å; D244-E248 PolarHBondContact O-N 2.88Å
245K95.4Very high95.3Very high172 Ų17271.2 Ų71.275%0.74834%0.338SS*.Hα-helixtrans-58.9-25.7-179.7-66.5-174.4178.8-179.30114.3P243P243-K245 VanDerWaalsContact C-N 3.34Å; P243-K245 PolarHBondContact O-N 3.44Å
246E94.3Very high94.8Very high47 Ų4769 Ų6922%0.2233%0.333CS..Hα-helixtrans-87.5-43.3175.3176.1166.3-171.200110.9V242 P243 D244 E248 K249 Y250 K296V242-E246 HydrophobicContact CG1-CB 3.74Å; V242-E246 HydrophobicContact CG1-CG 3.6Å; P243-E246 WeakPolarHBondContact O-CA 3.27Å; P243-E246 WeakPolarHBondContact O-CB 3.37Å; P243-E246 PolarHBondContact O-N 2.8Å; D244-E246 PolarHBondContact O-N 2.82Å; D244-E246 VanDerWaalsContact O-N 3.08Å; E246-E248 VanDerWaalsContact C-N 3.28Å; E246-E248 PolarHBondContact O-N 2.73Å; E246-K249 WeakPolarHBondContact O-CB 3.48Å; E246-K249 PolarHBondContact O-N 3.41Å; E246-Y250 HydrophobicContact CG-CE2 4.2Å; E246-Y250 WeakPolarHBondContact O-CD2 3.35Å; E246-K296 WeakPolarHBondContact OE1-CD 2.93Å; E246-K296 WeakPolarHBondContact OE1-CE 3.41Å; E246-K296 IonicContact OE1-NZ 2.65Å; E246-K296 PolarHBondContact OE1-NZ 3.39Å; E246-K296 IonicContact OE2-NZ 3.09Å; E246-K296 PolarHBondContact OE2-NZ 2.86Å
247Y95.4Very high94.1Very high18 Ų1875.2 Ų75.27%0.07137%0.366CS..Hα-helixtrans-64.3-32-179.5-162.2-111.8000112.9K233 I236 Q237 V242 P243 D244 K249 Y250 F252K233-Y247 HydrophobicContact CB-CE1 4.22Å; K233-Y247 PolarHBondContact O-OH 3.36Å; I236-Y247 WeakPolarHBondContact CB-OH 3.31Å; I236-Y247 HydrophobicContact CG2-CE2 4.09Å; I236-Y247 WeakPolarHBondContact CG2-OH 3.35Å; Q237-Y247 HydrophobicContact CB-CD1 3.91Å; Q237-Y247 HydrophobicContact CB-CD2 4.16Å; Q237-Y247 HydrophobicContact CB-CE1 3.7Å; Q237-Y247 HydrophobicContact CB-CE2 3.95Å; Q237-Y247 HydrophobicContact CB-CG 4.14Å; Q237-Y247 HydrophobicContact CG-CD1 3.8Å; Q237-Y247 HydrophobicContact CG-CD2 3.97Å; Q237-Y247 HydrophobicContact CG-CE1 4.13Å; Q237-Y247 HydrophobicContact CG-CE2 4.28Å; Q237-Y247 HydrophobicContact CG-CG 3.71Å; V242-Y247 HydrophobicContact CB-CD2 4.4Å; V242-Y247 HydrophobicContact CG1-CD2 4.35Å; P243-Y247 PolarHBondContact O-N 3.45Å; D244-Y247 PolarHBondContact O-N 3.24Å; Y247-K249 PolarHBondContact O-N 3.04Å; Y247-K249 VanDerWaalsContact O-N 3.08Å; Y247-Y250 HydrophobicContact CD2-CD1 4.22Å; Y247-Y250 HydrophobicContact CD2-CD2 4.44Å; Y247-Y250 HydrophobicContact CD2-CE1 4.47Å; Y247-Y250 HydrophobicContact CD2-CG 4.21Å; Y247-Y250 HydrophobicContact CE2-CD1 4.18Å; Y247-Y250 HydrophobicContact CE2-CG 4.49Å; Y247-Y250 VanDerWaalsContact O-CB 3.31Å; Y247-Y250 WeakPolarHBondContact O-CB 3.26Å; Y247-Y250 PolarHBondContact O-N 3.32Å; Y247-F252 AromaticContact CE1-CZ 3.88Å; Y247-F252 HydrophobicContact CE1-CZ 3.88Å; Y247-F252 HydrophobicContact CE2-CE1 4.43Å; Y247-F252 AromaticContact CE2-CZ 3.89Å; Y247-F252 HydrophobicContact CE2-CZ 3.89Å; Y247-F252 AromaticContact CZ-CE1 3.95Å; Y247-F252 AromaticContact CZ-CZ 3.39Å; Y247-F252 VanDerWaalsContact OH-CE1 3.26Å; Y247-F252 WeakPolarHBondContact OH-CE1 3.16Å; Y247-F252 WeakPolarHBondContact OH-CZ 3.32Å
248E93.7Very high93.3Very high156 Ų15678.3 Ų78.373%0.72939%0.392SS*.THydrogen-bonded Turntrans-54.9-24.8171.1-78.5172-172.500113.5D244 E246 Y250D244-E248 WeakPolarHBondContact O-CG 3.16Å; D244-E248 PolarHBondContact O-N 2.88Å; E246-E248 VanDerWaalsContact C-N 3.28Å; E246-E248 PolarHBondContact O-N 2.73Å; E248-Y250 VanDerWaalsContact C-N 3.33Å
249K94.5Very high92.9Very high163 Ų16378.7 Ų78.771%0.70939%0.388SS*.THydrogen-bonded Turntrans-83.8-11.1179.5-57.8177.5-176.3175.40113.1E246 Y247E246-K249 WeakPolarHBondContact O-CB 3.48Å; E246-K249 PolarHBondContact O-N 3.41Å; Y247-K249 PolarHBondContact O-N 3.04Å; Y247-K249 VanDerWaalsContact O-N 3.08Å
250Y96Very high92.7Very high22 Ų2278.4 Ų78.49%0.08639%0.389CS..  trans-74.6135.4-178.5-77.9-135.1000109.2L240 E246 Y247 E248 L291 H293L240-Y250 HydrophobicContact CD1-CE1 4.32Å; E246-Y250 HydrophobicContact CG-CE2 4.2Å; E246-Y250 WeakPolarHBondContact O-CD2 3.35Å; Y247-Y250 HydrophobicContact CD2-CD1 4.22Å; Y247-Y250 HydrophobicContact CD2-CD2 4.44Å; Y247-Y250 HydrophobicContact CD2-CE1 4.47Å; Y247-Y250 HydrophobicContact CD2-CG 4.21Å; Y247-Y250 HydrophobicContact CE2-CD1 4.18Å; Y247-Y250 HydrophobicContact CE2-CG 4.49Å; Y247-Y250 VanDerWaalsContact O-CB 3.31Å; Y247-Y250 WeakPolarHBondContact O-CB 3.26Å; Y247-Y250 PolarHBondContact O-N 3.32Å; E248-Y250 VanDerWaalsContact C-N 3.33Å; Y250-L291 HydrophobicContact CD1-CB 4.23Å; Y250-H293 HydrophobicContact CD1-CB 4.24Å; Y250-H293 HydrophobicContact CD2-CB 3.82Å; Y250-H293 HydrophobicContact CE1-CB 4.22Å; Y250-H293 AromaticContact CE1-CD2 3.52Å; Y250-H293 AromaticContact CE1-CG 3.7Å; Y250-H293 AromaticContact CE1-NE2 3.79Å; Y250-H293 HydrophobicContact CE2-CB 3.77Å; Y250-H293 AromaticContact CE2-CG 3.77Å; Y250-H293 AromaticContact CE2-ND1 3.84Å; Y250-H293 HydrophobicContact CG-CB 4.05Å; Y250-H293 AromaticContact CZ-CD2 3.74Å; Y250-H293 AromaticContact CZ-CE1 3.69Å; Y250-H293 AromaticContact CZ-CG 3.47Å; Y250-H293 VanDerWaalsContact CZ-CG 3.47Å; Y250-H293 AromaticContact CZ-ND1 3.48Å; Y250-H293 AromaticContact CZ-NE2 3.87Å; Y250-H293 PolarHBondContact OH-CE1 3.4Å; Y250-H293 PolarHBondContact OH-ND1 3.06Å
251K95.9Very high92.5Very high126 Ų12682.1 Ų82.155%0.54841%0.405SS..EExtended strand (participates in β ladder)trans-105.2145.3164.3-53.2177.1-179.8-179.50108.9Y262 D292K251-Y262 HydrophobicContact CB-CD1 3.9Å; K251-Y262 HydrophobicContact CB-CE1 3.84Å; K251-Y262 HydrophobicContact CD-CE1 4.37Å; K251-D292 HydrophobicContact CB-CB 4.14Å; K251-D292 PolarHBondContact N-O 2.83Å; K251-D292 VanDerWaalsContact N-O 3.08Å; K251-D292 PolarHBondContact O-N 2.88Å
252F95.9Very high92.4Very high10 Ų1078.7 Ų78.74%0.04438%0.382CS..EExtended strand (participates in β ladder)trans-116.2133.7-175.6-60.7-100000108.2F229 K233 I236 Y247 Y262 F263 L289 G290 L291F229-F252 HydrophobicContact CE1-CB 3.7Å; F229-F252 HydrophobicContact CE1-CD1 4.36Å; F229-F252 AromaticContact CE1-CG 4Å; F229-F252 HydrophobicContact CE1-CG 4Å; F229-F252 HydrophobicContact CZ-CB 3.7Å; F229-F252 AromaticContact CZ-CD1 3.93Å; F229-F252 HydrophobicContact CZ-CD1 3.93Å; F229-F252 AromaticContact CZ-CG 3.96Å; F229-F252 HydrophobicContact CZ-CG 3.96Å; K233-F252 HydrophobicContact CD-CD2 4.29Å; K233-F252 HydrophobicContact CD-CE2 4.09Å; K233-F252 HydrophobicContact CD-CZ 4.36Å; K233-F252 VanDerWaalsContact CE-CD2 3.5Å; K233-F252 HydrophobicContact CG-CD1 4.39Å; K233-F252 HydrophobicContact CG-CE1 4.11Å; K233-F252 HydrophobicContact CG-CE2 4.31Å; K233-F252 HydrophobicContact CG-CZ 4.11Å; I236-F252 HydrophobicContact CD1-CE1 4.37Å; Y247-F252 AromaticContact CE1-CZ 3.88Å; Y247-F252 HydrophobicContact CE1-CZ 3.88Å; Y247-F252 HydrophobicContact CE2-CE1 4.43Å; Y247-F252 AromaticContact CE2-CZ 3.89Å; Y247-F252 HydrophobicContact CE2-CZ 3.89Å; Y247-F252 AromaticContact CZ-CE1 3.95Å; Y247-F252 AromaticContact CZ-CZ 3.39Å; Y247-F252 VanDerWaalsContact OH-CE1 3.26Å; Y247-F252 WeakPolarHBondContact OH-CE1 3.16Å; Y247-F252 WeakPolarHBondContact OH-CZ 3.32Å; F252-Y262 WeakPolarHBondContact O-CA 3.42Å; F252-F263 HydrophobicContact CB-CD2 3.73Å; F252-F263 HydrophobicContact CB-CE2 4.39Å; F252-F263 WeakPolarHBondContact O-CD2 3.38Å; F252-F263 PolarHBondContact O-N 3.49Å; F252-L289 HydrophobicContact CB-CD1 4.42Å; F252-G290 WeakPolarHBondContact CA-O 3.42Å; F252-L291 HydrophobicContact CD1-CD2 3.38Å; F252-L291 HydrophobicContact CE1-CD2 3.42Å; F252-L291 VanDerWaalsContact CE1-CD2 3.42Å; F252-L291 HydrophobicContact CG-CD2 4.45Å
253A94.4Very high92.2Very high0 Ų078.8 Ų78.80%038%0.381CS..EExtended strand (participates in β ladder)trans-136140179.100000111.6C255 T260 H261 Y262 G290A253-C255 PolarHBondContact O-N 3.28Å; A253-T260 HydrophobicContact CB-CG2 3.67Å; A253-H261 CarbonylContact C-O 3.45Å; A253-H261 WeakPolarHBondContact CA-O 3.42Å; A253-Y262 HydrophobicContact CB-CD1 3.84Å; A253-Y262 HydrophobicContact CB-CD2 4.46Å; A253-Y262 HydrophobicContact CB-CE1 3.98Å; A253-Y262 HydrophobicContact CB-CG 4.11Å; A253-G290 PolarHBondContact N-O 3.06Å; A253-G290 PolarHBondContact O-N 2.65Å
254L93Very high91.1Very high18 Ų1881 Ų819%0.09439%0.388CS..EExtended strand (participates in β ladder)trans-79.4116.5162.5-172.559.3000108.3H261 F263 E274 F275 P287L254-H261 PolarHBondContact N-O 3.25Å; L254-H261 PolarHBondContact O-N 3.11Å; L254-F263 HydrophobicContact CB-CE1 4.14Å; L254-F263 HydrophobicContact CB-CE2 4.3Å; L254-F263 HydrophobicContact CB-CZ 3.64Å; L254-E274 HydrophobicContact CD2-CB 4.35Å; L254-F275 HydrophobicContact CD1-CD1 4.11Å; L254-F275 HydrophobicContact CD1-CE1 3.42Å; L254-F275 VanDerWaalsContact CD1-CE1 3.42Å; L254-F275 HydrophobicContact CD1-CZ 4Å; L254-P287 HydrophobicContact CD1-CB 3.85Å; L254-P287 HydrophobicContact CG-CB 4.48Å
255C92.4Very high89.8Confident0 Ų081.2 Ų81.20%039%0.389CS..EExtended strand (participates in β ladder)trans-109.1135.1-177.2-61.10000110.1A253 P287 W288A253-C255 PolarHBondContact O-N 3.28Å; C255-P287 CarbonylContact O-C 3.56Å; C255-P287 VanDerWaalsContact O-CA 3.28Å; C255-P287 WeakPolarHBondContact O-CA 3.34Å; C255-W288 HydrophobicContact CB-CD2 3.51Å; C255-W288 HydrophobicContact CB-CE3 3.97Å; C255-W288 HydrophobicContact CB-CG 4.05Å; C255-W288 HydrophobicContact CB-CH2 3.81Å; C255-W288 HydrophobicContact CB-CZ2 3.31Å; C255-W288 HydrophobicContact CB-CZ3 4.12Å; C255-W288 PolarHBondContact N-O 3.45Å; C255-W288 PolarHBondContact O-N 2.86Å
256T87.4Confident88.4Confident37 Ų3781.1 Ų81.123%0.22739%0.391CS..  trans-126.8179.6171.662.30000108.5S258 R259 P287T256-S258 PolarHBondContact O-N 2.86Å; T256-R259 PolarHBondContact N-O 3.12Å; T256-R259 PolarHBondContact OG1-N 3.3Å; T256-R259 VanDerWaalsContact OG1-N 3.1Å; T256-R259 PolarHBondContact OG1-O 3.48Å; T256-P287 HydrophobicContact CG2-CB 4.07Å; T256-P287 HydrophobicContact CG2-CG 4.16Å
257L82Confident87.7Confident131 Ų13185.5 Ų85.569%0.68642%0.416SS*.SBendtrans-58.4-33.6177.9-175.764000113.2
258S80.8Confident87.4Confident103 Ų10386.6 Ų86.672%0.7242%0.421SS*.SBendtrans-115-12.6-171.5580000114.5T256T256-S258 PolarHBondContact O-N 2.86Å
259R87.2Confident87.4Confident191 Ų19182 Ų8272%0.72140%0.404SS*.  trans-143.1142-171.6-61.7-177.9-178.3-176.7-0.3111.9T256T256-R259 PolarHBondContact N-O 3.12Å; T256-R259 PolarHBondContact OG1-N 3.3Å; T256-R259 VanDerWaalsContact OG1-N 3.1Å; T256-R259 PolarHBondContact OG1-O 3.48Å
260T91.5Very high87.3Confident55 Ų5574.3 Ų74.334%0.33737%0.371SS..EExtended strand (participates in β ladder)trans-122.3113.1171.1-57.50000107.1T211 A253 Y262T211-T260 HydrophobicContact CG2-CG2 4Å; T211-T260 WeakPolarHBondContact CG2-OG1 3.46Å; A253-T260 HydrophobicContact CB-CG2 3.67Å; T260-Y262 HydrophobicContact CG2-CD2 4.48Å; T260-Y262 HydrophobicContact CG2-CE2 3.98Å
261H91.6Very high87Confident114 Ų11476 Ų7653%0.52838%0.381SS..EExtended strand (participates in β ladder)trans-112.8111.5-179.1-176.8-81.1000109.4A253 L254A253-H261 CarbonylContact C-O 3.45Å; A253-H261 WeakPolarHBondContact CA-O 3.42Å; L254-H261 PolarHBondContact N-O 3.25Å; L254-H261 PolarHBondContact O-N 3.11Å
262Y93.4Very high86.8Confident74 Ų7470.5 Ų70.529%0.2936%0.358SS..EExtended strand (participates in β ladder)trans-72141.3176.3-72.9-89.3000110.4F207 K251 F252 A253 T260 D264 D292F207-Y262 HydrophobicContact CZ-CE1 4.41Å; K251-Y262 HydrophobicContact CB-CD1 3.9Å; K251-Y262 HydrophobicContact CB-CE1 3.84Å; K251-Y262 HydrophobicContact CD-CE1 4.37Å; F252-Y262 WeakPolarHBondContact O-CA 3.42Å; A253-Y262 HydrophobicContact CB-CD1 3.84Å; A253-Y262 HydrophobicContact CB-CD2 4.46Å; A253-Y262 HydrophobicContact CB-CE1 3.98Å; A253-Y262 HydrophobicContact CB-CG 4.11Å; T260-Y262 HydrophobicContact CG2-CD2 4.48Å; T260-Y262 HydrophobicContact CG2-CE2 3.98Å; Y262-D264 PolarHBondContact O-N 3.33Å; Y262-D292 HydrophobicContact CE1-CB 4.23Å; Y262-D292 PolarHBondContact OH-OD2 3.1Å
263F89.7Confident86.2Confident22 Ų2273.9 Ų73.910%0.09638%0.379CS..  trans-79105.9175.3-60.7-70.6000109.4F229 F252 L254 N265 F268 L289F229-F263 HydrophobicContact CD1-CB 4.19Å; F229-F263 HydrophobicContact CD1-CD2 4.22Å; F229-F263 HydrophobicContact CD1-CG 4.14Å; F229-F263 HydrophobicContact CE1-CB 3.99Å; F229-F263 AromaticContact CE1-CD2 3.47Å; F229-F263 HydrophobicContact CE1-CD2 3.47Å; F229-F263 VanDerWaalsContact CE1-CD2 3.47Å; F229-F263 HydrophobicContact CE1-CE2 4.07Å; F229-F263 AromaticContact CE1-CG 3.81Å; F229-F263 HydrophobicContact CE1-CG 3.81Å; F229-F263 HydrophobicContact CE2-CD2 4.33Å; F229-F263 HydrophobicContact CE2-CE2 4.11Å; F229-F263 AromaticContact CZ-CD2 3.56Å; F229-F263 HydrophobicContact CZ-CD2 3.56Å; F229-F263 AromaticContact CZ-CE2 3.69Å; F229-F263 HydrophobicContact CZ-CE2 3.69Å; F229-F263 HydrophobicContact CZ-CG 4.29Å; F229-F263 HydrophobicContact CZ-CZ 4.49Å; F252-F263 HydrophobicContact CB-CD2 3.73Å; F252-F263 HydrophobicContact CB-CE2 4.39Å; F252-F263 WeakPolarHBondContact O-CD2 3.38Å; F252-F263 PolarHBondContact O-N 3.49Å; L254-F263 HydrophobicContact CB-CE1 4.14Å; L254-F263 HydrophobicContact CB-CE2 4.3Å; L254-F263 HydrophobicContact CB-CZ 3.64Å; F263-N265 PolarHBondContact O-N 3.36Å; F263-F268 HydrophobicContact CD1-CB 4.4Å; F263-F268 AromaticContact CD1-CD1 3.39Å; F263-F268 HydrophobicContact CD1-CD1 3.39Å; F263-F268 AromaticContact CD1-CD2 3.98Å; F263-F268 HydrophobicContact CD1-CD2 3.98Å; F263-F268 AromaticContact CD1-CE1 3.57Å; F263-F268 HydrophobicContact CD1-CE1 3.57Å; F263-F268 HydrophobicContact CD1-CE2 4.11Å; F263-F268 AromaticContact CD1-CG 3.65Å; F263-F268 HydrophobicContact CD1-CG 3.65Å; F263-F268 AromaticContact CD1-CZ 3.94Å; F263-F268 HydrophobicContact CD1-CZ 3.94Å; F263-F268 AromaticContact CE1-CD1 3.49Å; F263-F268 HydrophobicContact CE1-CD1 3.49Å; F263-F268 VanDerWaalsContact CE1-CD1 3.49Å; F263-F268 HydrophobicContact CE1-CD2 4.37Å; F263-F268 AromaticContact CE1-CE1 3.13Å; F263-F268 HydrophobicContact CE1-CE1 3.13Å; F263-F268 HydrophobicContact CE1-CE2 4.06Å; F263-F268 HydrophobicContact CE1-CG 4.14Å; F263-F268 AromaticContact CE1-CZ 3.47Å; F263-F268 HydrophobicContact CE1-CZ 3.47Å; F263-F268 VanDerWaalsContact CE1-CZ 3.47Å; F263-F268 HydrophobicContact CG-CD1 4.28Å; F263-F268 HydrophobicContact CZ-CD1 4.41Å; F263-F268 HydrophobicContact CZ-CE1 4Å; F263-L289 HydrophobicContact CD2-CD1 4.42Å; F263-L289 HydrophobicContact CE2-CD1 3.55Å; F263-L289 HydrophobicContact CZ-CD1 4.38Å
264D72.3Confident85.5Confident133 Ų13377.6 Ų77.671%0.71140%0.397SS*.  trans-84-0.2-171.1-72.8-20.6000114.9Y262Y262-D264 PolarHBondContact O-N 3.33Å
265N68.5Low84.8Confident114 Ų11476.9 Ų76.961%0.6139%0.393SS*.  trans-145.1151.3-173.4-86-39.6000114.8F263 N267 F268F263-N265 PolarHBondContact O-N 3.36Å; N265-N267 PolarHBondContact O-N 2.91Å; N265-F268 PolarHBondContact O-N 3.36Å
266E67.2Low83.6Confident170 Ų17080.9 Ų80.979%0.79441%0.414SS*.THydrogen-bonded Turntrans-63-21.8168-64.1-170.216000112.8
267N79.5Confident81.9Confident138 Ų13886.3 Ų86.374%0.73844%0.439SS*.THydrogen-bonded Turntrans-96.312.6-175.5-61.3-28.6000114N265 V269N265-N267 PolarHBondContact O-N 2.91Å; N267-V269 PolarHBondContact O-N 2.7Å
268F89.3Confident80.4Confident41 Ų4181.6 Ų81.618%0.1842%0.416CS..  trans-63130.9175.2-175.7-108.4000109.9F229 F263 N265 I270F229-F268 HydrophobicContact CB-CB 4.01Å; F229-F268 HydrophobicContact CB-CD1 3.73Å; F229-F268 HydrophobicContact CB-CG 4.36Å; F229-F268 VanDerWaalsContact CB-O 3.26Å; F229-F268 WeakPolarHBondContact CB-O 3.41Å; F229-F268 HydrophobicContact CD1-CD1 4.43Å; F229-F268 HydrophobicContact CD2-CD1 4.37Å; F229-F268 AromaticContact CG-CD1 3.94Å; F229-F268 HydrophobicContact CG-CD1 3.94Å; F229-F268 PolarHBondContact N-O 2.97Å; F263-F268 HydrophobicContact CD1-CB 4.4Å; F263-F268 AromaticContact CD1-CD1 3.39Å; F263-F268 HydrophobicContact CD1-CD1 3.39Å; F263-F268 AromaticContact CD1-CD2 3.98Å; F263-F268 HydrophobicContact CD1-CD2 3.98Å; F263-F268 AromaticContact CD1-CE1 3.57Å; F263-F268 HydrophobicContact CD1-CE1 3.57Å; F263-F268 HydrophobicContact CD1-CE2 4.11Å; F263-F268 AromaticContact CD1-CG 3.65Å; F263-F268 HydrophobicContact CD1-CG 3.65Å; F263-F268 AromaticContact CD1-CZ 3.94Å; F263-F268 HydrophobicContact CD1-CZ 3.94Å; F263-F268 AromaticContact CE1-CD1 3.49Å; F263-F268 HydrophobicContact CE1-CD1 3.49Å; F263-F268 VanDerWaalsContact CE1-CD1 3.49Å; F263-F268 HydrophobicContact CE1-CD2 4.37Å; F263-F268 AromaticContact CE1-CE1 3.13Å; F263-F268 HydrophobicContact CE1-CE1 3.13Å; F263-F268 HydrophobicContact CE1-CE2 4.06Å; F263-F268 HydrophobicContact CE1-CG 4.14Å; F263-F268 AromaticContact CE1-CZ 3.47Å; F263-F268 HydrophobicContact CE1-CZ 3.47Å; F263-F268 VanDerWaalsContact CE1-CZ 3.47Å; F263-F268 HydrophobicContact CG-CD1 4.28Å; F263-F268 HydrophobicContact CZ-CD1 4.41Å; F263-F268 HydrophobicContact CZ-CE1 4Å; N265-F268 PolarHBondContact O-N 3.36Å; F268-I270 HydrophobicContact CD1-CD1 4.42Å; F268-I270 HydrophobicContact CE1-CD1 3.9Å
269V92.4Very high78.7Confident61 Ų6180.1 Ų80.137%0.3741%0.41SS..BIsolated β-bridgetrans-116.4131.6178.4176.80000107.8E226 E227 N267 N271E226-V269 VanDerWaalsContact C-CG1 3.43Å; E226-V269 VanDerWaalsContact CA-CG1 3.45Å; E226-V269 HydrophobicContact CB-CG1 4.33Å; E227-V269 WeakPolarHBondContact O-CA 3.24Å; N267-V269 PolarHBondContact O-N 2.7Å; V269-N271 PolarHBondContact O-N 3.48Å
270I92.6Very high76.7Confident1 Ų178.9 Ų78.91%0.00541%0.412CS..  trans-62.5119.4179.3-62.9-56.2000109.7I223 R224 E226 E227 F229 V232 F268 L272 F275I223-I270 HydrophobicContact CB-CG2 4.41Å; I223-I270 HydrophobicContact CD1-CG2 3.77Å; I223-I270 HydrophobicContact CG1-CG2 4.3Å; R224-I270 WeakPolarHBondContact O-CB 3.45Å; R224-I270 VanDerWaalsContact O-CG2 3.22Å; R224-I270 WeakPolarHBondContact O-CG2 3.19Å; E226-I270 PolarHBondContact N-O 3.32Å; E227-I270 HydrophobicContact CB-CB 4.28Å; E227-I270 HydrophobicContact CB-CG1 4.14Å; E227-I270 WeakPolarHBondContact O-CG1 3.33Å; E227-I270 PolarHBondContact O-N 3.23Å; F229-I270 HydrophobicContact CD2-CD1 4.04Å; V232-I270 HydrophobicContact CG2-CD1 4.43Å; V232-I270 HydrophobicContact CG2-CG1 4.18Å; F268-I270 HydrophobicContact CD1-CD1 4.42Å; F268-I270 HydrophobicContact CE1-CD1 3.9Å; I270-L272 HydrophobicContact CG2-CD2 3.68Å; I270-L272 HydrophobicContact CG2-CG 4.41Å; I270-F275 HydrophobicContact CD1-CZ 4.39Å; I270-F275 HydrophobicContact CG2-CE2 4Å
271N91Very high74.3Confident58 Ų5884.1 Ų84.131%0.3143%0.43SS..  trans-109.8110166.7-177.3-19.2000109.1V269 T273 E274 F275V269-N271 PolarHBondContact O-N 3.48Å; N271-T273 PolarHBondContact ND2-OG1 2.87Å; N271-T273 PolarHBondContact O-N 3.31Å; N271-T273 VanDerWaalsContact O-N 3.08Å; N271-T273 WeakPolarHBondContact OD1-CB 3.39Å; N271-T273 WeakPolarHBondContact OD1-CG2 3.34Å; N271-T273 PolarHBondContact OD1-N 3.42Å; N271-T273 PolarHBondContact OD1-OG1 3.44Å; N271-E274 HydrophobicContact CB-CG 4.44Å; N271-E274 WeakPolarHBondContact O-CB 3.44Å; N271-E274 PolarHBondContact O-N 3.2Å; N271-E274 VanDerWaalsContact O-N 3.1Å; N271-F275 WeakPolarHBondContact O-CD2 3.32Å
272L90Very high72Confident10 Ų1082.6 Ų82.65%0.05243%0.432CS..THydrogen-bonded Turntrans-63.1-17.7-175.8-67.5-170000113.9S198 I223 N225 I270 E274 F275 N276S198-L272 WeakPolarHBondContact O-CD1 3.42Å; I223-L272 HydrophobicContact CD1-CD2 3.82Å; I223-L272 HydrophobicContact CG1-CD2 3.98Å; N225-L272 HydrophobicContact CB-CB 4.44Å; N225-L272 HydrophobicContact CB-CD1 3.84Å; N225-L272 HydrophobicContact CB-CG 3.76Å; N225-L272 PolarHBondContact OD1-N 3.45Å; I270-L272 HydrophobicContact CG2-CD2 3.68Å; I270-L272 HydrophobicContact CG2-CG 4.41Å; L272-E274 PolarHBondContact O-N 2.81Å; L272-F275 HydrophobicContact CD2-CD2 4.21Å; L272-F275 PolarHBondContact O-N 2.86Å; L272-F275 VanDerWaalsContact O-N 3.07Å; L272-N276 PolarHBondContact O-N 3.38Å; L272-N276 PolarHBondContact O-ND2 3.39Å
273T85.1Confident69.9Low81 Ų8182.2 Ų82.250%0.49744%0.444SS..Hα-helixtrans-61.4-32.7174.763.60000112.1N271 F275 N276 M277N271-T273 PolarHBondContact ND2-OG1 2.87Å; N271-T273 PolarHBondContact O-N 3.31Å; N271-T273 VanDerWaalsContact O-N 3.08Å; N271-T273 WeakPolarHBondContact OD1-CB 3.39Å; N271-T273 WeakPolarHBondContact OD1-CG2 3.34Å; N271-T273 PolarHBondContact OD1-N 3.42Å; N271-T273 PolarHBondContact OD1-OG1 3.44Å; T273-F275 PolarHBondContact O-N 3.49Å; T273-N276 PolarHBondContact O-N 2.68Å; T273-M277 WeakPolarHBondContact O-CG 3.32Å; T273-M277 PolarHBondContact O-N 2.92Å
274E79.3Confident68.1Low77 Ų7785.6 Ų85.636%0.3647%0.47SS..Hα-helixtrans-65.7-27.2176.3-61-175.1173.600112.5L254 N271 L272L254-E274 HydrophobicContact CD2-CB 4.35Å; N271-E274 HydrophobicContact CB-CG 4.44Å; N271-E274 WeakPolarHBondContact O-CB 3.44Å; N271-E274 PolarHBondContact O-N 3.2Å; N271-E274 VanDerWaalsContact O-N 3.1Å; L272-E274 PolarHBondContact O-N 2.81Å
275F78.4Confident67.7Low3 Ų379.7 Ų79.71%0.01344%0.44CS..Hα-helixtrans-89.6-21.2-178.3-60.3-88.6000113Y200 L202 I223 L254 I270 N271 L272 T273 P287Y200-F275 HydrophobicContact CD1-CB 4.16Å; Y200-F275 HydrophobicContact CD1-CD1 4.28Å; Y200-F275 HydrophobicContact CD1-CG 4.37Å; Y200-F275 HydrophobicContact CD2-CB 4.41Å; Y200-F275 HydrophobicContact CE1-CB 4.13Å; Y200-F275 HydrophobicContact CE1-CD1 4.18Å; Y200-F275 HydrophobicContact CE1-CG 4.49Å; Y200-F275 HydrophobicContact CE2-CB 4.37Å; Y200-F275 HydrophobicContact CG-CB 4.31Å; L202-F275 HydrophobicContact CD1-CD1 3.56Å; L202-F275 HydrophobicContact CD1-CE1 3.44Å; L202-F275 VanDerWaalsContact CD1-CE1 3.44Å; L202-F275 HydrophobicContact CD2-CE1 3.87Å; L202-F275 HydrophobicContact CD2-CZ 4.46Å; L202-F275 HydrophobicContact CG-CE1 4.29Å; I223-F275 HydrophobicContact CD1-CD1 4.25Å; I223-F275 HydrophobicContact CD1-CD2 4.16Å; I223-F275 HydrophobicContact CD1-CE1 4Å; I223-F275 HydrophobicContact CD1-CE2 3.91Å; I223-F275 HydrophobicContact CD1-CG 4.31Å; I223-F275 HydrophobicContact CD1-CZ 3.81Å; L254-F275 HydrophobicContact CD1-CD1 4.11Å; L254-F275 HydrophobicContact CD1-CE1 3.42Å; L254-F275 VanDerWaalsContact CD1-CE1 3.42Å; L254-F275 HydrophobicContact CD1-CZ 4Å; I270-F275 HydrophobicContact CD1-CZ 4.39Å; I270-F275 HydrophobicContact CG2-CE2 4Å; N271-F275 WeakPolarHBondContact O-CD2 3.32Å; L272-F275 HydrophobicContact CD2-CD2 4.21Å; L272-F275 PolarHBondContact O-N 2.86Å; L272-F275 VanDerWaalsContact O-N 3.07Å; T273-F275 PolarHBondContact O-N 3.49Å; F275-P287 HydrophobicContact CD1-CB 4.31Å; F275-P287 WeakPolarHBondContact O-CD 3.2Å
276N66.2Low68.4Low85 Ų8579.8 Ų79.846%0.45544%0.435SS..Hα-helixtrans-90.8-24-179.7-74.6-29.1000113.6L272 T273 T278 A279L272-N276 PolarHBondContact O-N 3.38Å; L272-N276 PolarHBondContact O-ND2 3.39Å; T273-N276 PolarHBondContact O-N 2.68Å; N276-T278 PolarHBondContact O-N 3.06Å; N276-A279 WeakPolarHBondContact O-CB 3.46Å; N276-A279 PolarHBondContact O-N 3.04Å; N276-A279 VanDerWaalsContact O-N 3.16Å
277M52.1Low69.5Low150 Ų15071.7 Ų71.774%0.73940%0.397SS*.THydrogen-bonded Turntrans-60.2-19.7-171.5-89.5-178.359.600115.7T273T273-M277 WeakPolarHBondContact O-CG 3.32Å; T273-M277 PolarHBondContact O-N 2.92Å
278T50.1Low70.2Confident33 Ų3366.1 Ų66.120%0.20237%0.366CS..THydrogen-bonded Turntrans-97.9-0.3-17960.90000114.7N276 H280 F281 S285 K286 P287N276-T278 PolarHBondContact O-N 3.06Å; T278-H280 PolarHBondContact O-N 3.28Å; T278-F281 PolarHBondContact O-N 3.13Å; T278-F281 VanDerWaalsContact O-N 3.11Å; T278-S285 WeakPolarHBondContact CB-O 3.33Å; T278-S285 WeakPolarHBondContact CG2-O 3.46Å; T278-S285 PolarHBondContact O-OG 2.92Å; T278-S285 PolarHBondContact OG1-O 2.99Å; T278-K286 WeakPolarHBondContact OG1-CA 3.3Å; T278-P287 HydrophobicContact CG2-CG 4.4Å; T278-P287 VanDerWaalsContact OG1-CD 3.28Å; T278-P287 WeakPolarHBondContact OG1-CD 3.37Å
279A46.3Very low70.5Confident72 Ų7264.1 Ų64.160%0.59536%0.357SS*.THydrogen-bonded Turntrans-59-13.6-179.700000114.5N276N276-A279 WeakPolarHBondContact O-CB 3.46Å; N276-A279 PolarHBondContact O-N 3.04Å; N276-A279 VanDerWaalsContact O-N 3.16Å
280H44.7Very low70.7Confident164 Ų16461.2 Ų61.276%0.75934%0.339SS*.THydrogen-bonded Turntrans-82.4-11.1178.8-64.6-57.6000115.2T278T278-H280 PolarHBondContact O-N 3.28Å
281F39.9Very low71Confident166 Ų16661.2 Ų61.273%0.72834%0.339SS*.SBendtrans-132.276.7-175.7-73.6-81.6000112.5T278 S285T278-F281 PolarHBondContact O-N 3.13Å; T278-F281 VanDerWaalsContact O-N 3.11Å; F281-S285 WeakPolarHBondContact O-CB 3.3Å; F281-S285 PolarHBondContact O-OG 2.83Å
282S43.3Very low71.3Confident82 Ų8259.3 Ų59.357%0.57333%0.329SS*.  trans64150.3171.378.30000116.4S284 S285S282-S284 PolarHBondContact O-N 3.31Å; S282-S284 PolarHBondContact OG-OG 3.49Å; S282-S284 VanDerWaalsContact OG-OG 3.06Å; S282-S285 PolarHBondContact O-N 2.77Å; S282-S285 VanDerWaalsContact O-N 3.13Å; S282-S285 PolarHBondContact O-OG 3.31Å
283A49.5Very low71.6Confident65 Ų6560 Ų6054%0.53733%0.332SS..G310 helixtrans-59.7-21.6-177.700000114.3S285A283-S285 VanDerWaalsContact C-N 3.27Å; A283-S285 PolarHBondContact O-N 2.84Å
284S52.4Low72Confident93 Ų9359.5 Ų59.565%0.6533%0.329SS*.G310 helixtrans-79.1-0.7178.756.10000114.7S282S282-S284 PolarHBondContact O-N 3.31Å; S282-S284 PolarHBondContact OG-OG 3.49Å; S282-S284 VanDerWaalsContact OG-OG 3.06Å
285S64.5Low72.6Confident10 Ų1058 Ų587%0.0732%0.323CS..G310 helixtrans-102.4-1.4179.268.60000114.4T278 F281 S282 A283T278-S285 WeakPolarHBondContact CB-O 3.33Å; T278-S285 WeakPolarHBondContact CG2-O 3.46Å; T278-S285 PolarHBondContact O-OG 2.92Å; T278-S285 PolarHBondContact OG1-O 2.99Å; F281-S285 WeakPolarHBondContact O-CB 3.3Å; F281-S285 PolarHBondContact O-OG 2.83Å; S282-S285 PolarHBondContact O-N 2.77Å; S282-S285 VanDerWaalsContact O-N 3.13Å; S282-S285 PolarHBondContact O-OG 3.31Å; A283-S285 VanDerWaalsContact C-N 3.27Å; A283-S285 PolarHBondContact O-N 2.84Å
286K82.8Confident73Confident115 Ų11563.8 Ų63.850%0.535%0.348SS..  trans-61.8138.7-179.6-70.1-172.6178.9-1760110.6T278T278-K286 WeakPolarHBondContact OG1-CA 3.3Å
287P89.9Confident73.5Confident1 Ų163.8 Ų63.81%0.00636%0.36CS..  trans-68.8149.6179.9-19.338.2000110L254 C255 T256 F275 T278L254-P287 HydrophobicContact CD1-CB 3.85Å; L254-P287 HydrophobicContact CG-CB 4.48Å; C255-P287 CarbonylContact O-C 3.56Å; C255-P287 VanDerWaalsContact O-CA 3.28Å; C255-P287 WeakPolarHBondContact O-CA 3.34Å; T256-P287 HydrophobicContact CG2-CB 4.07Å; T256-P287 HydrophobicContact CG2-CG 4.16Å; F275-P287 HydrophobicContact CD1-CB 4.31Å; F275-P287 WeakPolarHBondContact O-CD 3.2Å; T278-P287 HydrophobicContact CG2-CG 4.4Å; T278-P287 VanDerWaalsContact OG1-CD 3.28Å; T278-P287 WeakPolarHBondContact OG1-CD 3.37Å
288W94.1Very high74.1Confident20 Ų2059.2 Ų59.28%0.07635%0.346CS..EExtended strand (participates in β ladder)trans-137153.5178.456.7-80.1000109.9P203 T205 F207 T211 C255 G290P203-W288 HydrophobicContact CB-CB 4.06Å; P203-W288 HydrophobicContact CG-CB 4.42Å; P203-W288 CarbonylContact O-C 3.55Å; P203-W288 WeakPolarHBondContact O-CA 3.39Å; P203-W288 WeakPolarHBondContact O-CB 3.46Å; T205-W288 HydrophobicContact CG2-CZ3 4.37Å; F207-W288 HydrophobicContact CD1-CH2 4.42Å; F207-W288 HydrophobicContact CD1-CZ3 4.35Å; T211-W288 HydrophobicContact CG2-CH2 4.08Å; T211-W288 HydrophobicContact CG2-CZ2 4.29Å; C255-W288 HydrophobicContact CB-CD2 3.51Å; C255-W288 HydrophobicContact CB-CE3 3.97Å; C255-W288 HydrophobicContact CB-CG 4.05Å; C255-W288 HydrophobicContact CB-CH2 3.81Å; C255-W288 HydrophobicContact CB-CZ2 3.31Å; C255-W288 HydrophobicContact CB-CZ3 4.12Å; C255-W288 PolarHBondContact N-O 3.45Å; C255-W288 PolarHBondContact O-N 2.86Å; W288-G290 VanDerWaalsContact CZ3-CA 3.48Å
289L96Very high74.3Confident0 Ų065.9 Ų65.90%037%0.372CS..EExtended strand (participates in β ladder)trans-86.6116.1175.3-17961.1000110L202 P203 V204 T205 F229 I236 F252 F263 L291L202-L289 HydrophobicContact CD2-CB 3.65Å; L202-L289 HydrophobicContact CD2-CD2 4.27Å; L202-L289 HydrophobicContact CD2-CG 4.49Å; L202-L289 HydrophobicContact CG-CB 4.07Å; P203-L289 PolarHBondContact O-N 3.27Å; V204-L289 CarbonylContact C-O 3.57Å; V204-L289 WeakPolarHBondContact CA-O 3.4Å; V204-L289 HydrophobicContact CB-CB 4.48Å; V204-L289 HydrophobicContact CG1-CB 4.26Å; V204-L289 HydrophobicContact CG1-CD2 4.22Å; V204-L289 HydrophobicContact CG1-CG 4.26Å; V204-L289 HydrophobicContact CG2-CB 4.16Å; V204-L289 HydrophobicContact CG2-CD2 4.19Å; T205-L289 PolarHBondContact N-O 2.72Å; F229-L289 HydrophobicContact CE2-CD1 4.24Å; F229-L289 HydrophobicContact CE2-CD2 4.35Å; F229-L289 HydrophobicContact CZ-CD1 4.01Å; I236-L289 HydrophobicContact CD1-CD2 3.38Å; F252-L289 HydrophobicContact CB-CD1 4.42Å; F263-L289 HydrophobicContact CD2-CD1 4.42Å; F263-L289 HydrophobicContact CE2-CD1 3.55Å; F263-L289 HydrophobicContact CZ-CD1 4.38Å; L289-L291 HydrophobicContact CD2-CD2 4.3Å; L289-L291 HydrophobicContact CG-CD2 4.17Å
290G97Very high74.4Confident0 Ų065.9 Ų65.90%038%0.379CS..EExtended strand (participates in β ladder)trans-86.1131.8171.300000111.9T205 F252 A253 W288T205-G290 WeakPolarHBondContact O-CA 3.33Å; F252-G290 WeakPolarHBondContact CA-O 3.42Å; A253-G290 PolarHBondContact N-O 3.06Å; A253-G290 PolarHBondContact O-N 2.65Å; W288-G290 VanDerWaalsContact CZ3-CA 3.48Å
291L97.8Very high74.4Confident0 Ų068.6 Ų68.60%038%0.383CS..EExtended strand (participates in β ladder)trans-106100.1169.1-51.6-176.5000108.2V204 T205 H206 F207 F219 I236 L240 Y250 F252 L289 H293V204-L291 HydrophobicContact CG1-CD1 3.58Å; V204-L291 HydrophobicContact CG1-CD2 4.04Å; V204-L291 HydrophobicContact CG1-CG 3.63Å; T205-L291 PolarHBondContact O-N 3.23Å; H206-L291 WeakPolarHBondContact CA-O 3.42Å; F207-L291 PolarHBondContact N-O 2.82Å; F207-L291 VanDerWaalsContact O-O 3.12Å; F219-L291 HydrophobicContact CE1-CD1 4.35Å; F219-L291 HydrophobicContact CZ-CD1 4.2Å; I236-L291 HydrophobicContact CD1-CD2 4.47Å; I236-L291 HydrophobicContact CG2-CD1 4.11Å; L240-L291 HydrophobicContact CD1-CD1 4Å; Y250-L291 HydrophobicContact CD1-CB 4.23Å; F252-L291 HydrophobicContact CD1-CD2 3.38Å; F252-L291 HydrophobicContact CE1-CD2 3.42Å; F252-L291 VanDerWaalsContact CE1-CD2 3.42Å; F252-L291 HydrophobicContact CG-CD2 4.45Å; L289-L291 HydrophobicContact CD2-CD2 4.3Å; L289-L291 HydrophobicContact CG-CD2 4.17Å; L291-H293 PolarHBondContact O-CD2 2.98Å; L291-H293 PolarHBondContact O-N 3.48Å
292D97.3Very high74.1Confident18 Ų1864.3 Ų64.310%0.09639%0.385CS..EExtended strand (participates in β ladder)trans-83.3109.9178.2-173.57.4000110.2F207 H208 K209 K251 Y262F207-D292 HydrophobicContact CD1-CB 4.43Å; F207-D292 HydrophobicContact CD2-CB 4.44Å; F207-D292 HydrophobicContact CE1-CB 3.8Å; F207-D292 HydrophobicContact CE2-CB 3.84Å; F207-D292 HydrophobicContact CZ-CB 3.51Å; F207-D292 VanDerWaalsContact O-CA 3.31Å; F207-D292 WeakPolarHBondContact O-CA 3.23Å; H208-D292 WeakPolarHBondContact CA-OD1 3.48Å; H208-D292 IonicContact ND1-OD1 3.47Å; K209-D292 PolarHBondContact N-OD1 2.86Å; K251-D292 HydrophobicContact CB-CB 4.14Å; K251-D292 PolarHBondContact N-O 2.83Å; K251-D292 VanDerWaalsContact N-O 3.08Å; K251-D292 PolarHBondContact O-N 2.88Å; Y262-D292 HydrophobicContact CE1-CB 4.23Å; Y262-D292 PolarHBondContact OH-OD2 3.1Å
293H96.6Very high74.1Confident24 Ų2467.7 Ų67.711%0.11140%0.396CS..  trans-158.4168.4175.973.8104.7000111.5H206 F207 H208 F215 Y250 L291H206-H293 WeakPolarHBondContact CB-NE2 3.38Å; H206-H293 AromaticContact CE1-NE2 3.98Å; H206-H293 AromaticContact CG-NE2 3.47Å; H206-H293 AromaticContact ND1-CD2 3.74Å; H206-H293 AromaticContact ND1-NE2 3Å; H206-H293 PolarHBondContact ND1-NE2 3.04Å; F207-H293 PolarHBondContact O-N 2.84Å; F207-H293 VanDerWaalsContact O-O 3.12Å; H208-H293 VanDerWaalsContact CB-O 3.28Å; H208-H293 WeakPolarHBondContact CB-O 3.44Å; H208-H293 PolarHBondContact ND1-O 3.42Å; F215-H293 WeakPolarHBondContact CE1-O 3.21Å; F215-H293 AromaticContact CE2-CE1 3.48Å; F215-H293 VanDerWaalsContact CE2-CE1 3.48Å; F215-H293 WeakPolarHBondContact CE2-CE1 3.49Å; F215-H293 AromaticContact CE2-NE2 3.55Å; F215-H293 AromaticContact CZ-CD2 3.8Å; F215-H293 AromaticContact CZ-CE1 3.5Å; F215-H293 VanDerWaalsContact CZ-CE1 3.5Å; F215-H293 WeakPolarHBondContact CZ-CE1 3.29Å; F215-H293 AromaticContact CZ-ND1 3.91Å; F215-H293 AromaticContact CZ-NE2 3.4Å; F215-H293 WeakPolarHBondContact CZ-NE2 3.34Å; F215-H293 VanDerWaalsContact CZ-O 3.31Å; F215-H293 WeakPolarHBondContact CZ-O 3.25Å; Y250-H293 HydrophobicContact CD1-CB 4.24Å; Y250-H293 HydrophobicContact CD2-CB 3.82Å; Y250-H293 HydrophobicContact CE1-CB 4.22Å; Y250-H293 AromaticContact CE1-CD2 3.52Å; Y250-H293 AromaticContact CE1-CG 3.7Å; Y250-H293 AromaticContact CE1-NE2 3.79Å; Y250-H293 HydrophobicContact CE2-CB 3.77Å; Y250-H293 AromaticContact CE2-CG 3.77Å; Y250-H293 AromaticContact CE2-ND1 3.84Å; Y250-H293 HydrophobicContact CG-CB 4.05Å; Y250-H293 AromaticContact CZ-CD2 3.74Å; Y250-H293 AromaticContact CZ-CE1 3.69Å; Y250-H293 AromaticContact CZ-CG 3.47Å; Y250-H293 VanDerWaalsContact CZ-CG 3.47Å; Y250-H293 AromaticContact CZ-ND1 3.48Å; Y250-H293 AromaticContact CZ-NE2 3.87Å; Y250-H293 PolarHBondContact OH-CE1 3.4Å; Y250-H293 PolarHBondContact OH-ND1 3.06Å; L291-H293 PolarHBondContact O-CD2 2.98Å; L291-H293 PolarHBondContact O-N 3.48Å
294V94.5Very high73.9Confident71 Ų7171.8 Ų71.843%0.4340%0.404SS..  trans-76.7128.6-178.6176.70000110.3K296V294-K296 PolarHBondContact O-N 2.83Å
295N92Very high73.6Confident46 Ų4672.2 Ų72.225%0.24641%0.407CS..  trans-66.9102.2170-173.6-7.7000111.4F215 A297 A298F215-N295 WeakPolarHBondContact CB-ND2 3.4Å; F215-N295 HydrophobicContact CD1-CB 3.86Å; F215-N295 HydrophobicContact CD2-CB 3.57Å; F215-N295 VanDerWaalsContact CD2-CG 3.41Å; F215-N295 HydrophobicContact CE1-CB 3.84Å; F215-N295 HydrophobicContact CE2-CB 3.58Å; F215-N295 HydrophobicContact CG-CB 3.72Å; F215-N295 HydrophobicContact CZ-CB 3.72Å; N295-A297 WeakPolarHBondContact OD1-CB 3.33Å; N295-A297 PolarHBondContact OD1-N 2.92Å; N295-A298 HydrophobicContact CB-CB 4.12Å; N295-A298 PolarHBondContact OD1-N 3.4Å; N295-A298 VanDerWaalsContact OD1-N 3.16Å
296K86.4Confident73.1Confident124 Ų12480 Ų8054%0.53945%0.447SS..SBendtrans-71.9-29.7176.2-70.1-176.6175-1800113.4E246 V294 A298 K299E246-K296 WeakPolarHBondContact OE1-CD 2.93Å; E246-K296 WeakPolarHBondContact OE1-CE 3.41Å; E246-K296 IonicContact OE1-NZ 2.65Å; E246-K296 PolarHBondContact OE1-NZ 3.39Å; E246-K296 IonicContact OE2-NZ 3.09Å; E246-K296 PolarHBondContact OE2-NZ 2.86Å; V294-K296 PolarHBondContact O-N 2.83Å; K296-A298 VanDerWaalsContact C-N 3.29Å; K296-A298 PolarHBondContact O-N 3.42Å; K296-K299 PolarHBondContact O-N 3.4Å
297A77.2Confident72Confident85 Ų8582.2 Ų82.270%0.70246%0.459SS*.G310 helixtrans-70-26.5179.800000112.6N295 K299 G300N295-A297 WeakPolarHBondContact OD1-CB 3.33Å; N295-A297 PolarHBondContact OD1-N 2.92Å; A297-K299 PolarHBondContact O-N 3.18Å; A297-G300 PolarHBondContact O-N 2.95Å
298A63.9Low70.6Confident54 Ų5490.8 Ų90.845%0.44650%0.496SS..G310 helixtrans-62.6-26.9175.600000113N295 K296 G300 R301N295-A298 HydrophobicContact CB-CB 4.12Å; N295-A298 PolarHBondContact OD1-N 3.4Å; N295-A298 VanDerWaalsContact OD1-N 3.16Å; K296-A298 VanDerWaalsContact C-N 3.29Å; K296-A298 PolarHBondContact O-N 3.42Å; A298-G300 PolarHBondContact O-N 3.08Å; A298-R301 PolarHBondContact O-N 3.27Å
299K54.7Low69.6Low173 Ų17394.3 Ų94.375%0.75253%0.529SS*.G310 helixtrans-66.3-10-176.3-65.7-170.8175.8-174.30114.2K296 A297K296-K299 PolarHBondContact O-N 3.4Å; A297-K299 PolarHBondContact O-N 3.18Å
300G47.9Very low68.6Low72 Ų72101.9 Ų101.974%0.74257%0.568SS**G310 helixtrans-92.5-13.317700000116A297 A298A297-G300 PolarHBondContact O-N 2.95Å; A298-G300 PolarHBondContact O-N 3.08Å
301R44.2Very low67.8Low222 Ų222106.6 Ų106.684%0.83860%0.597SS**  trans-105.686.5177.4-63.1-168.1-144.4-152.75.5109.7A298 L303A298-R301 PolarHBondContact O-N 3.27Å; R301-L303 PolarHBondContact O-N 2.78Å
302G35.1Very low66.6Low75 Ų75113.6 Ų113.677%0.77363%0.633SS**  trans-65.676.1170.900000111.7
303L42.2Very low65.7Low153 Ų153120.4 Ų120.480%0.80166%0.664SS**  trans-104.845.2173-160.172.1000111.1R301R301-L303 PolarHBondContact O-N 2.78Å
304H45.2Very low64.8Low152 Ų152130.4 Ų130.470%0.70472%0.718SS**  trans-13619.8166.5-71-67.4000112.8L306 E307H304-L306 VanDerWaalsContact C-N 3.31Å; H304-L306 PolarHBondContact O-N 3.28Å; H304-E307 IonicContact ND1-OE2 2.99Å
305S46.2Very low63.4Low102 Ų102133.4 Ų133.471%0.71373%0.732SS**SBendtrans-81.6-2.3177.6-172.10000114.6
306L55.4Low61.8Low173 Ų173138 Ų13891%0.90676%0.758SS**SBendtrans-114.3-5.9-177.8-70172.2000114.7H304 K308H304-L306 VanDerWaalsContact C-N 3.31Å; H304-L306 PolarHBondContact O-N 3.28Å; L306-K308 PolarHBondContact O-N 2.88Å
307E59.6Low60.5Low161 Ų161138.8 Ų138.875%0.75277%0.77SS**  trans-8881.2168.6-76.9-179.9147.600109.4H304H304-E307 IonicContact ND1-OE2 2.99Å
308K59.8Low59.5Low182 Ų182141.9 Ų141.979%0.79177%0.774SS**PPolyproline II helixtrans-93.3136.5156.9-72.4-175.8178.3179.40107.9L306 I310L306-K308 PolarHBondContact O-N 2.88Å; K308-I310 PolarHBondContact O-N 3.18Å
309A73.7Confident59.2Low93 Ų93147.4 Ų147.477%0.76980%0.795SS**PPolyproline II helixtrans-51.3127.6170.600000109.6V311A309-V311 PolarHBondContact O-N 2.87Å
310I73.9Confident59.5Low160 Ų160145.7 Ų145.782%0.82180%0.797SS**PPolyproline II helixtrans-75.9116.5173.9-58.9175000106.9K308 I312K308-I310 PolarHBondContact O-N 3.18Å; I310-I312 HydrophobicContact CG2-CG1 4.49Å
311V79.7Confident60.4Low99 Ų99151 Ų15160%0.680%0.801SS**PPolyproline II helixtrans-96117.9170.3-177.70000107.2A309A309-V311 PolarHBondContact O-N 2.87Å
312I73.5Confident61.6Low147 Ų147145.5 Ų145.575%0.75480%0.798SS**PPolyproline II helixtrans-85.5117.9170.2-57.4175.1000106.7I310I310-I312 HydrophobicContact CG2-CG1 4.49Å
313H77.9Confident63.8Low161 Ų161151.4 Ų151.475%0.74580%0.801SS**PPolyproline II helixtrans-93.4131.8168.4-64.8-66.2000108.6
314N78.7Confident65.8Low234 Ų234151.3 Ų151.3100%1.25180%0.801SS**  trans-66.60171.7-77.5-10.4000111.7

Retrieved 314 of 314 residues in 2098.3 ms (Link to these results)

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