A0A2K5Z934_MANLE Loading...

Neutrophil cytosolic factor 1

AlphaFold DB , UniProt , Accession A0A2K5Z934, Species MANLE (Mandrillus leucophaeus, Drill), Gene NCF1, Length 390 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
1M44Very low81.4Confident242 Ų24278.8 Ų78.8100%1.19243%0.425SS*.  0121.10-74.3170-169.900106.1
2G58.3Low81.9Confident73 Ų7375.4 Ų75.475%0.75341%0.407SS*.PPolyproline II helixtrans-69.5148.6-178.900000111.1T4G2-T4 PolarHBondContact O-N 3.25Å
3D73.9Confident82.4Confident136 Ų13669.6 Ų69.673%0.72738%0.375SS*.PPolyproline II helixtrans-58.5132.1176.5-67.5-30.8000110.4F5D3-F5 VanDerWaalsContact O-CD1 3.25Å; D3-F5 WeakPolarHBondContact O-CD1 3.49Å
4T85.8Confident83Confident80 Ų8064.8 Ų64.849%0.49135%0.349SS..PPolyproline II helixtrans-73.8124.6175.4-620000109.4G2 W32 Q33 L115G2-T4 PolarHBondContact O-N 3.25Å; T4-W32 HydrophobicContact CG2-CE3 3.75Å; T4-W32 HydrophobicContact CG2-CZ3 3.8Å; T4-Q33 VanDerWaalsContact CA-CD 3.47Å; T4-Q33 PolarHBondContact OG1-NE2 2.87Å; T4-L115 VanDerWaalsContact O-CD1 3.24Å; T4-L115 WeakPolarHBondContact O-CD1 3.45Å
5F90.9Very high83.4Confident50 Ų5061.1 Ų61.122%0.21933%0.329CS..  trans-149.6155.6177.567.2-90.4000112.7D3 R7 Q33 R110D3-F5 VanDerWaalsContact O-CD1 3.25Å; D3-F5 WeakPolarHBondContact O-CD1 3.49Å; F5-R7 HydrophobicContact CE2-CG 3.99Å; F5-Q33 HydrophobicContact CD1-CB 3.84Å; F5-Q33 HydrophobicContact CD1-CG 4.28Å; F5-Q33 HydrophobicContact CD2-CB 4.32Å; F5-Q33 HydrophobicContact CE1-CB 3.63Å; F5-Q33 HydrophobicContact CE1-CG 4.28Å; F5-Q33 HydrophobicContact CE2-CB 4.15Å; F5-Q33 HydrophobicContact CG-CB 4.17Å; F5-Q33 HydrophobicContact CZ-CB 3.79Å; F5-Q33 WeakPolarHBondContact O-CB 3.39Å; F5-Q33 PolarHBondContact O-N 3.03Å; F5-Q33 PolarHBondContact O-OE1 3.13Å; F5-R110 HydrophobicContact CB-CB 4.29Å; F5-R110 HydrophobicContact CB-CG 3.87Å; F5-R110 HydrophobicContact CG-CG 4.46Å
6I92.3Very high83.6Confident4 Ų458.9 Ų58.92%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-82.1132.2177.5-62.1170.8000109.2H8 I9 V30 W32 M102 L114 L115 F118I6-H8 WeakPolarHBondContact CG2-O 3.29Å; I6-I9 HydrophobicContact CD1-CD1 4.34Å; I6-I9 HydrophobicContact CG2-CD1 4.03Å; I6-I9 HydrophobicContact CG2-CG1 3.53Å; I6-V30 HydrophobicContact CB-CG1 4.48Å; I6-V30 HydrophobicContact CD1-CG1 3.82Å; I6-V30 HydrophobicContact CG1-CG1 3.88Å; I6-V30 HydrophobicContact CG2-CG1 3.8Å; I6-W32 HydrophobicContact CD1-CH2 4.04Å; I6-W32 HydrophobicContact CD1-CZ2 4.27Å; I6-W32 HydrophobicContact CD1-CZ3 4.34Å; I6-W32 HydrophobicContact CG1-CD2 4.15Å; I6-W32 HydrophobicContact CG1-CE3 3.84Å; I6-W32 HydrophobicContact CG1-CH2 3.87Å; I6-W32 HydrophobicContact CG1-CZ2 4.15Å; I6-W32 HydrophobicContact CG1-CZ3 3.7Å; I6-M102 HydrophobicContact CB-CE 4.24Å; I6-M102 HydrophobicContact CG2-CE 4.08Å; I6-M102 HydrophobicContact CG2-SD 4.16Å; I6-M102 WeakPolarHBondContact O-CE 3.42Å; I6-L114 HydrophobicContact CD1-CD2 3.81Å; I6-L115 HydrophobicContact CB-CD2 4.48Å; I6-L115 HydrophobicContact CD1-CD2 4.1Å; I6-L115 HydrophobicContact CG1-CD2 3.84Å; I6-F118 HydrophobicContact CD1-CB 3.48Å; I6-F118 VanDerWaalsContact CD1-CB 3.48Å; I6-F118 HydrophobicContact CD1-CD2 4.07Å; I6-F118 HydrophobicContact CD1-CG 4.05Å
7R88.8Confident83.7Confident154 Ų15458.3 Ų58.358%0.58131%0.308SS*.EExtended strand (participates in β ladder)trans-88.4-37.7175.1-64.3-174.370.6-169.42.2111.9F5 K31 W32F5-R7 HydrophobicContact CE2-CG 3.99Å; R7-K31 PolarHBondContact N-O 3.34Å; R7-W32 WeakPolarHBondContact CD-O 3.31Å
8H88.3Confident83.5Confident81 Ų8157.3 Ų57.338%0.37530%0.3SS..EExtended strand (participates in β ladder)trans-155.6144.5-173.3-173.2-102.7000111.3I6 K31I6-H8 WeakPolarHBondContact CG2-O 3.29Å; H8-K31 HydrophobicContact CB-CB 4.06Å; H8-K31 HydrophobicContact CB-CD 4.04Å; H8-K31 HydrophobicContact CB-CG 4.11Å; H8-K31 PolarHBondContact N-O 2.85Å; H8-K31 PolarHBondContact O-N 3.46Å
9I92.3Very high83.1Confident8 Ų859.1 Ų59.14%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-130122.8173.8-56.1176.4000107.2I6 F28 L29 C98 M102 F118I6-I9 HydrophobicContact CD1-CD1 4.34Å; I6-I9 HydrophobicContact CG2-CD1 4.03Å; I6-I9 HydrophobicContact CG2-CG1 3.53Å; I9-F28 HydrophobicContact CG2-CB 4.4Å; I9-F28 HydrophobicContact CG2-CD1 3.96Å; I9-L29 CarbonylContact C-O 3.52Å; I9-L29 WeakPolarHBondContact CA-O 3.31Å; I9-C98 HydrophobicContact CB-CB 4.33Å; I9-C98 HydrophobicContact CG2-CB 4.04Å; I9-M102 HydrophobicContact CB-CG 4.45Å; I9-M102 HydrophobicContact CD1-CG 4.26Å; I9-M102 HydrophobicContact CD1-SD 3.62Å; I9-M102 HydrophobicContact CG1-CG 4.2Å; I9-M102 HydrophobicContact CG1-SD 3.89Å; I9-F118 HydrophobicContact CD1-CD1 4.17Å; I9-F118 HydrophobicContact CD1-CD2 3.62Å; I9-F118 HydrophobicContact CD1-CE1 4.03Å; I9-F118 HydrophobicContact CD1-CE2 3.45Å; I9-F118 VanDerWaalsContact CD1-CE2 3.45Å; I9-F118 HydrophobicContact CD1-CG 4Å; I9-F118 HydrophobicContact CD1-CZ 3.68Å; I9-F118 HydrophobicContact CG2-CD1 4.4Å; I9-F118 HydrophobicContact CG2-CE1 3.86Å; I9-F118 HydrophobicContact CG2-CZ 4.18Å
10A89.7Confident82.6Confident25 Ų2561.9 Ų61.921%0.20734%0.335CS..EExtended strand (participates in β ladder)trans-118.913517400000109.9F28 L29A10-F28 CarbonylContact O-C 3.51Å; A10-F28 WeakPolarHBondContact O-CA 3.44Å; A10-L29 HydrophobicContact CB-CB 4.17Å; A10-L29 PolarHBondContact N-O 3Å; A10-L29 PolarHBondContact O-N 3.14Å
11L91.3Very high82.6Confident14 Ų1464.9 Ų64.97%0.07335%0.351CS..EExtended strand (participates in β ladder)trans-81.6124.4167.3-176.572.8000108.6Y26 F28 Q91 L94 L141L11-Y26 HydrophobicContact CD1-CD1 4.05Å; L11-Y26 HydrophobicContact CD1-CG 4.39Å; L11-F28 HydrophobicContact CB-CD1 4.35Å; L11-F28 HydrophobicContact CB-CE1 4.26Å; L11-F28 HydrophobicContact CD1-CD1 3.85Å; L11-F28 HydrophobicContact CD1-CE1 3.49Å; L11-F28 VanDerWaalsContact CD1-CE1 3.49Å; L11-F28 HydrophobicContact CD1-CE2 4.3Å; L11-F28 HydrophobicContact CD1-CG 4.4Å; L11-F28 HydrophobicContact CD1-CZ 3.74Å; L11-F28 HydrophobicContact CG-CE1 4.44Å; L11-Q91 HydrophobicContact CD2-CB 3.8Å; L11-Q91 HydrophobicContact CD2-CG 4.08Å; L11-Q91 VanDerWaalsContact CD2-O 3.3Å; L11-Q91 WeakPolarHBondContact CD2-O 3.43Å; L11-L94 HydrophobicContact CD2-CB 3.98Å; L11-L141 HydrophobicContact CB-CD1 4.39Å; L11-L141 HydrophobicContact CD2-CD1 3.8Å; L11-L141 HydrophobicContact CG-CD1 3.76Å
12L87.2Confident84.5Confident38 Ų3858.9 Ų58.920%0.19932%0.32CS..EExtended strand (participates in β ladder)trans-93.1-32179.3-59.2179.7000112.4M27 L29 V39 L140 L141 P155 I157L12-M27 HydrophobicContact CB-CB 4.14Å; L12-M27 PolarHBondContact N-O 3.3Å; L12-L29 HydrophobicContact CD1-CB 4.06Å; L12-L29 HydrophobicContact CD2-CB 3.95Å; L12-L29 HydrophobicContact CD2-CD2 4.45Å; L12-L29 HydrophobicContact CG-CB 3.99Å; L12-V39 HydrophobicContact CD1-CG1 4.49Å; L12-V39 HydrophobicContact CD1-CG2 4.39Å; L12-L140 WeakPolarHBondContact O-CA 3.37Å; L12-L141 VanDerWaalsContact C-CD1 3.43Å; L12-L141 PolarHBondContact O-N 3.15Å; L12-P155 HydrophobicContact CD1-CG 3.58Å; L12-I157 HydrophobicContact CB-CD1 4.29Å; L12-I157 HydrophobicContact CD1-CD1 3.72Å
13G88.8Confident85.8Confident0 Ų057.5 Ų57.50%029%0.294CS..EExtended strand (participates in β ladder)trans167.5-168.2-165.500000113M27 Y139G13-M27 PolarHBondContact O-N 3.35Å; G13-Y139 CarbonylContact C-O 3.58Å; G13-Y139 WeakPolarHBondContact CA-O 3.32Å
14F90.8Very high86.5Confident2 Ų252.2 Ų52.21%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-137.2152.316469.4-87.1000110.8Y24 V25 Y26 Q84 A87 E88 Q91 Y139F14-Y24 AromaticContact CD2-CD1 3.75Å; F14-Y24 HydrophobicContact CD2-CD1 3.75Å; F14-Y24 AromaticContact CE2-CD1 3.73Å; F14-Y24 HydrophobicContact CE2-CD1 3.73Å; F14-Y24 HydrophobicContact CE2-CE1 4.05Å; F14-V25 CarbonylContact C-O 3.58Å; F14-V25 WeakPolarHBondContact CA-O 3.33Å; F14-V25 VanDerWaalsContact CB-O 3.28Å; F14-V25 WeakPolarHBondContact CB-O 3.5Å; F14-Y26 HydrophobicContact CB-CD1 3.9Å; F14-Y26 HydrophobicContact CB-CE1 4.12Å; F14-Y26 HydrophobicContact CB-CG 4.48Å; F14-Q84 HydrophobicContact CE2-CG 4.2Å; F14-Q84 HydrophobicContact CZ-CG 4.05Å; F14-A87 HydrophobicContact CD1-CB 4.47Å; F14-A87 HydrophobicContact CD2-CB 3.88Å; F14-A87 HydrophobicContact CE1-CB 4.42Å; F14-A87 HydrophobicContact CE2-CB 3.81Å; F14-A87 HydrophobicContact CG-CB 4.21Å; F14-A87 HydrophobicContact CZ-CB 4.09Å; F14-E88 HydrophobicContact CE1-CB 3.98Å; F14-E88 HydrophobicContact CZ-CB 4.24Å; F14-Q91 VanDerWaalsContact CD1-CD 3.5Å; F14-Q91 HydrophobicContact CD1-CG 3.99Å; F14-Y139 AromaticContact CD2-CD2 3.86Å; F14-Y139 HydrophobicContact CD2-CD2 3.86Å; F14-Y139 HydrophobicContact CD2-CG 4.36Å; F14-Y139 VanDerWaalsContact CE1-CB 3.44Å; F14-Y139 HydrophobicContact CE1-CD2 4.44Å; F14-Y139 HydrophobicContact CE1-CG 4.02Å; F14-Y139 AromaticContact CE2-CD2 3.28Å; F14-Y139 HydrophobicContact CE2-CD2 3.28Å; F14-Y139 AromaticContact CE2-CE2 3.98Å; F14-Y139 HydrophobicContact CE2-CE2 3.98Å; F14-Y139 AromaticContact CE2-CG 3.68Å; F14-Y139 HydrophobicContact CE2-CG 3.68Å; F14-Y139 VanDerWaalsContact CZ-CB 3.46Å; F14-Y139 HydrophobicContact CZ-CD1 4.2Å; F14-Y139 AromaticContact CZ-CD2 3.63Å; F14-Y139 HydrophobicContact CZ-CD2 3.63Å; F14-Y139 HydrophobicContact CZ-CE2 4.44Å; F14-Y139 AromaticContact CZ-CG 3.48Å; F14-Y139 HydrophobicContact CZ-CG 3.48Å; F14-Y139 VanDerWaalsContact CZ-CG 3.48Å; F14-Y139 PolarHBondContact N-O 3.4Å; F14-Y139 PolarHBondContact O-N 2.81Å
15E88.6Confident86.8Confident10 Ų1048.7 Ų48.75%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-108.7138.4169.7-61.1178.1173.600109.6R17 Y24 V25 M27 Y41 E137 T138E15-R17 HydrophobicContact CB-CG 4.33Å; E15-R17 IonicContact OE2-CZ 3.65Å; E15-R17 VanDerWaalsContact OE2-CZ 3.26Å; E15-R17 IonicContact OE2-NE 3.23Å; E15-R17 PolarHBondContact OE2-NE 3.42Å; E15-R17 IonicContact OE2-NH2 2.66Å; E15-R17 PolarHBondContact OE2-NH2 3.38Å; E15-Y24 CarbonylContact O-C 3.4Å; E15-Y24 VanDerWaalsContact O-CA 3.3Å; E15-Y24 WeakPolarHBondContact O-CA 3.44Å; E15-V25 HydrophobicContact CB-CG2 3.8Å; E15-V25 HydrophobicContact CG-CG2 4.49Å; E15-V25 PolarHBondContact N-O 3.43Å; E15-V25 PolarHBondContact O-N 3.18Å; E15-M27 HydrophobicContact CG-CE 4.47Å; E15-M27 HydrophobicContact CG-CG 4.15Å; E15-M27 HydrophobicContact CG-SD 3.67Å; E15-Y41 VanDerWaalsContact CD-CE1 3.45Å; E15-Y41 HydrophobicContact CG-CE1 4.24Å; E15-Y41 WeakPolarHBondContact OE1-CE1 3.31Å; E15-Y41 PolarHBondContact OE1-OH 2.88Å; E15-E137 CarbonylContact C-O 3.46Å; E15-E137 VanDerWaalsContact CA-O 3.28Å; E15-E137 WeakPolarHBondContact CA-O 3.33Å; E15-T138 HydrophobicContact CG-CG2 4.28Å
16K86.4Confident86.9Confident26 Ų2646.4 Ų46.411%0.11323%0.232CC..EExtended strand (participates in β ladder)trans-92.7114.9163.2-179-165.2-179.4-172.70108.2F18 Q22 Y24 P136 E137 Y139K16-F18 HydrophobicContact CD-CE1 4.34Å; K16-F18 HydrophobicContact CD-CZ 3.99Å; K16-F18 HydrophobicContact CG-CZ 4.39Å; K16-Q22 HydrophobicContact CG-CG 4.27Å; K16-Y24 HydrophobicContact CB-CD1 3.81Å; K16-Y24 HydrophobicContact CB-CE1 3.61Å; K16-Y24 HydrophobicContact CD-CE1 4.03Å; K16-Y24 HydrophobicContact CG-CD1 4.11Å; K16-Y24 HydrophobicContact CG-CE1 3.55Å; K16-P136 VanDerWaalsContact O-CA 3.3Å; K16-P136 WeakPolarHBondContact O-CA 3.4Å; K16-E137 HydrophobicContact CB-CB 4.25Å; K16-E137 WeakPolarHBondContact CD-OE2 3.3Å; K16-E137 PolarHBondContact N-O 3.31Å; K16-E137 IonicContact NZ-OE1 2.78Å; K16-E137 PolarHBondContact NZ-OE1 2.86Å; K16-E137 IonicContact NZ-OE2 3Å; K16-E137 PolarHBondContact NZ-OE2 3.13Å; K16-E137 PolarHBondContact O-N 3.1Å; K16-Y139 HydrophobicContact CB-CE2 4.07Å
17R85.7Confident86.9Confident48 Ų4846.4 Ų46.418%0.18123%0.232CC..EExtended strand (participates in β ladder)trans-106.7143.4-179.3-67.8-178.3177-175.91.2109.8E15 Q22 H23 V25 P136E15-R17 HydrophobicContact CB-CG 4.33Å; E15-R17 IonicContact OE2-CZ 3.65Å; E15-R17 VanDerWaalsContact OE2-CZ 3.26Å; E15-R17 IonicContact OE2-NE 3.23Å; E15-R17 PolarHBondContact OE2-NE 3.42Å; E15-R17 IonicContact OE2-NH2 2.66Å; E15-R17 PolarHBondContact OE2-NH2 3.38Å; R17-Q22 CarbonylContact O-C 3.21Å; R17-Q22 VanDerWaalsContact O-CA 3.23Å; R17-Q22 WeakPolarHBondContact O-CA 3.36Å; R17-H23 WeakPolarHBondContact CB-CE1 3.45Å; R17-H23 PolarHBondContact N-O 2.87Å; R17-H23 PolarHBondContact O-N 3.28Å; R17-V25 HydrophobicContact CG-CG2 4.32Å; R17-P136 HydrophobicContact CG-CB 4.18Å; R17-P136 HydrophobicContact CG-CG 4.37Å
18F80.6Confident87.1Confident41 Ų4139.1 Ų39.118%0.1821%0.205CC..  trans-101.9-17.2-175.7-62.8-80000114.1K16 N21 K134 K135 E137K16-F18 HydrophobicContact CD-CE1 4.34Å; K16-F18 HydrophobicContact CD-CZ 3.99Å; K16-F18 HydrophobicContact CG-CZ 4.39Å; F18-N21 CarbonylContact C-O 3.5Å; F18-N21 CarbonylContact O-C 3.55Å; F18-N21 WeakPolarHBondContact O-CA 3.47Å; F18-K134 HydrophobicContact CB-CB 4.34Å; F18-K134 HydrophobicContact CD1-CD 4.19Å; F18-K134 HydrophobicContact CD2-CB 3.68Å; F18-K134 HydrophobicContact CE1-CD 4.35Å; F18-K134 HydrophobicContact CE2-CB 4.14Å; F18-K134 HydrophobicContact CG-CB 3.98Å; F18-K134 HydrophobicContact CG-CD 4.3Å; F18-K135 WeakPolarHBondContact CE2-O 3.44Å; F18-E137 HydrophobicContact CE2-CG 4.26Å; F18-E137 HydrophobicContact CZ-CG 4.35Å; F18-E137 WeakPolarHBondContact CZ-OE1 3.19Å
19V74.9Confident87.1Confident90 Ų9035.6 Ų35.655%0.54519%0.189SC..SBendtrans-116.6131.7-176.1-1790000109.6H23V19-H23 PolarHBondContact O-CE1 3.11Å; V19-H23 VanDerWaalsContact O-CE1 3.22Å
20P74.6Confident87.1Confident115 Ų11535.2 Ų35.275%0.74719%0.187SC*.SBendcis-75.9-25.93.429.5-34.8000114.1
21N81.3Confident87.1Confident126 Ų12635 Ų3567%0.67418%0.181SC*.SBendtrans-137.2167.5171.2-73.7-34.3000108.4F18 H23F18-N21 CarbonylContact C-O 3.5Å; F18-N21 CarbonylContact O-C 3.55Å; F18-N21 WeakPolarHBondContact O-CA 3.47Å; N21-H23 PolarHBondContact O-N 3.35Å; N21-H23 PolarHBondContact O-ND1 3.42Å
22Q83.8Confident86.9Confident116 Ų11635.6 Ų35.654%0.54218%0.182SC..SBendtrans-59.5121.3174.6-171.2-176.8-74.700111K16 R17K16-Q22 HydrophobicContact CG-CG 4.27Å; R17-Q22 CarbonylContact O-C 3.21Å; R17-Q22 VanDerWaalsContact O-CA 3.23Å; R17-Q22 WeakPolarHBondContact O-CA 3.36Å
23H85.6Confident87Confident44 Ų4436.2 Ų36.220%0.20419%0.185CC..EExtended strand (participates in β ladder)trans-151.8163.3176.965.3-76.3000111.3R17 V19 N21R17-H23 WeakPolarHBondContact CB-CE1 3.45Å; R17-H23 PolarHBondContact N-O 2.87Å; R17-H23 PolarHBondContact O-N 3.28Å; V19-H23 PolarHBondContact O-CE1 3.11Å; V19-H23 VanDerWaalsContact O-CE1 3.22Å; N21-H23 PolarHBondContact O-N 3.35Å; N21-H23 PolarHBondContact O-ND1 3.42Å
24Y89.7Confident86.7Confident24 Ų2441 Ų419%0.09421%0.21CC..EExtended strand (participates in β ladder)trans-112.8136.1179.8-58.8-89.8000110.3F14 E15 K16 D82 Q84 A87F14-Y24 AromaticContact CD2-CD1 3.75Å; F14-Y24 HydrophobicContact CD2-CD1 3.75Å; F14-Y24 AromaticContact CE2-CD1 3.73Å; F14-Y24 HydrophobicContact CE2-CD1 3.73Å; F14-Y24 HydrophobicContact CE2-CE1 4.05Å; E15-Y24 CarbonylContact O-C 3.4Å; E15-Y24 VanDerWaalsContact O-CA 3.3Å; E15-Y24 WeakPolarHBondContact O-CA 3.44Å; K16-Y24 HydrophobicContact CB-CD1 3.81Å; K16-Y24 HydrophobicContact CB-CE1 3.61Å; K16-Y24 HydrophobicContact CD-CE1 4.03Å; K16-Y24 HydrophobicContact CG-CD1 4.11Å; K16-Y24 HydrophobicContact CG-CE1 3.55Å; Y24-D82 WeakPolarHBondContact CE2-O 3.48Å; Y24-Q84 HydrophobicContact CE1-CB 3.93Å; Y24-Q84 HydrophobicContact CE1-CG 4.4Å; Y24-Q84 PolarHBondContact OH-N 3.48Å; Y24-A87 HydrophobicContact CD1-CB 3.83Å; Y24-A87 HydrophobicContact CE1-CB 4.43Å; Y24-A87 HydrophobicContact CG-CB 3.88Å
25V91.3Very high86.2Confident6 Ų646.7 Ų46.74%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-123.9137.7172.9-63.60000110F14 E15 R17 Y41 R43F14-V25 CarbonylContact C-O 3.58Å; F14-V25 WeakPolarHBondContact CA-O 3.33Å; F14-V25 VanDerWaalsContact CB-O 3.28Å; F14-V25 WeakPolarHBondContact CB-O 3.5Å; E15-V25 HydrophobicContact CB-CG2 3.8Å; E15-V25 HydrophobicContact CG-CG2 4.49Å; E15-V25 PolarHBondContact N-O 3.43Å; E15-V25 PolarHBondContact O-N 3.18Å; R17-V25 HydrophobicContact CG-CG2 4.32Å; V25-Y41 HydrophobicContact CG2-CD1 3.89Å; V25-R43 HydrophobicContact CG1-CG 3.86Å
26Y92.5Very high85.7Confident2 Ų247.9 Ų47.91%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-89.4139.1175.3-66.9-83.9000110.2L11 F14 Y41 R42 F44 I47 A87 R90 Q91 L94L11-Y26 HydrophobicContact CD1-CD1 4.05Å; L11-Y26 HydrophobicContact CD1-CG 4.39Å; F14-Y26 HydrophobicContact CB-CD1 3.9Å; F14-Y26 HydrophobicContact CB-CE1 4.12Å; F14-Y26 HydrophobicContact CB-CG 4.48Å; Y26-Y41 VanDerWaalsContact O-CA 3.3Å; Y26-Y41 WeakPolarHBondContact O-CA 3.42Å; Y26-R42 PolarHBondContact N-O 3.07Å; Y26-R42 PolarHBondContact O-N 3Å; Y26-F44 HydrophobicContact CE2-CB 3.94Å; Y26-F44 HydrophobicContact CE2-CD2 4.23Å; Y26-I47 HydrophobicContact CD2-CD1 4.02Å; Y26-I47 HydrophobicContact CG-CD1 4.47Å; Y26-A87 WeakPolarHBondContact CE1-O 3.37Å; Y26-A87 VanDerWaalsContact OH-CA 3.23Å; Y26-A87 WeakPolarHBondContact OH-CA 3.46Å; Y26-A87 PolarHBondContact OH-O 3.45Å; Y26-R90 HydrophobicContact CE1-CB 4.41Å; Y26-R90 VanDerWaalsContact OH-CB 3.28Å; Y26-R90 WeakPolarHBondContact OH-CB 3.29Å; Y26-R90 VanDerWaalsContact OH-CD 3.23Å; Y26-R90 WeakPolarHBondContact OH-CD 3.46Å; Y26-Q91 HydrophobicContact CE1-CG 4.22Å; Y26-L94 HydrophobicContact CD1-CD1 3.43Å; Y26-L94 VanDerWaalsContact CD1-CD1 3.43Å; Y26-L94 HydrophobicContact CD2-CD1 3.78Å; Y26-L94 HydrophobicContact CE1-CD1 3.48Å; Y26-L94 VanDerWaalsContact CE1-CD1 3.48Å; Y26-L94 HydrophobicContact CE2-CD1 3.84Å; Y26-L94 HydrophobicContact CG-CD1 3.56Å
27M92.9Very high85.6Confident4 Ų449 Ų492%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-100112.9-176.7-54.9173.970.700108.9L12 G13 E15 Y41 T138 I157L12-M27 HydrophobicContact CB-CB 4.14Å; L12-M27 PolarHBondContact N-O 3.3Å; G13-M27 PolarHBondContact O-N 3.35Å; E15-M27 HydrophobicContact CG-CE 4.47Å; E15-M27 HydrophobicContact CG-CG 4.15Å; E15-M27 HydrophobicContact CG-SD 3.67Å; M27-Y41 HydrophobicContact CB-CE1 4.43Å; M27-Y41 HydrophobicContact CE-CE1 3.86Å; M27-Y41 HydrophobicContact CG-CD1 3.83Å; M27-Y41 HydrophobicContact CG-CE1 3.61Å; M27-Y41 HydrophobicContact SD-CE1 4.29Å; M27-T138 HydrophobicContact CE-CG2 4.36Å; M27-T138 HydrophobicContact SD-CG2 3.8Å; M27-I157 HydrophobicContact CE-CD1 3.42Å; M27-I157 VanDerWaalsContact CE-CD1 3.42Å; M27-I157 HydrophobicContact CE-CG1 4.47Å
28F92.9Very high85.5Confident1 Ų151.4 Ų51.40%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-109.7126.9178.2-63.1-84.5000110.5I9 A10 L11 V30 V39 V40 R42 I47 L94 C98 F118I9-F28 HydrophobicContact CG2-CB 4.4Å; I9-F28 HydrophobicContact CG2-CD1 3.96Å; A10-F28 CarbonylContact O-C 3.51Å; A10-F28 WeakPolarHBondContact O-CA 3.44Å; L11-F28 HydrophobicContact CB-CD1 4.35Å; L11-F28 HydrophobicContact CB-CE1 4.26Å; L11-F28 HydrophobicContact CD1-CD1 3.85Å; L11-F28 HydrophobicContact CD1-CE1 3.49Å; L11-F28 VanDerWaalsContact CD1-CE1 3.49Å; L11-F28 HydrophobicContact CD1-CE2 4.3Å; L11-F28 HydrophobicContact CD1-CG 4.4Å; L11-F28 HydrophobicContact CD1-CZ 3.74Å; L11-F28 HydrophobicContact CG-CE1 4.44Å; F28-V30 HydrophobicContact CB-CG2 4.41Å; F28-V39 CarbonylContact O-C 3.4Å; F28-V39 WeakPolarHBondContact O-CA 3.3Å; F28-V40 HydrophobicContact CB-CG2 3.87Å; F28-V40 PolarHBondContact N-O 3.38Å; F28-V40 PolarHBondContact O-N 3.43Å; F28-R42 HydrophobicContact CD2-CB 4.42Å; F28-R42 HydrophobicContact CD2-CG 4.32Å; F28-R42 HydrophobicContact CE2-CB 4.09Å; F28-R42 HydrophobicContact CE2-CG 4.41Å; F28-I47 HydrophobicContact CE2-CD1 3.87Å; F28-I47 HydrophobicContact CZ-CD1 3.8Å; F28-L94 HydrophobicContact CZ-CD1 4.43Å; F28-C98 VanDerWaalsContact CE1-SG 3.59Å; F28-F118 HydrophobicContact CB-CE1 4.3Å; F28-F118 HydrophobicContact CD1-CE1 4.23Å; F28-F118 HydrophobicContact CD2-CE1 4.4Å; F28-F118 HydrophobicContact CG-CE1 4.06Å
29L89.2Confident85.8Confident8 Ų851 Ų514%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-82.6118.1163174.157.3000109.3I9 A10 L12 K31 E37 G154 P155I9-L29 CarbonylContact C-O 3.52Å; I9-L29 WeakPolarHBondContact CA-O 3.31Å; A10-L29 HydrophobicContact CB-CB 4.17Å; A10-L29 PolarHBondContact N-O 3Å; A10-L29 PolarHBondContact O-N 3.14Å; L12-L29 HydrophobicContact CD1-CB 4.06Å; L12-L29 HydrophobicContact CD2-CB 3.95Å; L12-L29 HydrophobicContact CD2-CD2 4.45Å; L12-L29 HydrophobicContact CG-CB 3.99Å; L29-K31 HydrophobicContact CG-CG 4.48Å; L29-E37 HydrophobicContact CD1-CB 4Å; L29-G154 VanDerWaalsContact CD2-CA 3.46Å; L29-P155 HydrophobicContact CD1-CG 4.1Å
30V91Very high86.6Confident0 Ų046.7 Ų46.70%024%0.241CC..EExtended strand (participates in β ladder)trans-112.4121.8179-173.60000109I6 F28 W32 E37 K38 V40 F118I6-V30 HydrophobicContact CB-CG1 4.48Å; I6-V30 HydrophobicContact CD1-CG1 3.82Å; I6-V30 HydrophobicContact CG1-CG1 3.88Å; I6-V30 HydrophobicContact CG2-CG1 3.8Å; F28-V30 HydrophobicContact CB-CG2 4.41Å; V30-W32 HydrophobicContact CG1-CD2 4.48Å; V30-W32 HydrophobicContact CG1-CZ2 4.1Å; V30-E37 WeakPolarHBondContact O-CA 3.33Å; V30-K38 PolarHBondContact N-O 3.19Å; V30-K38 PolarHBondContact O-N 3.1Å; V30-V40 HydrophobicContact CG2-CG2 3.72Å; V30-F118 HydrophobicContact CG1-CB 4.24Å; V30-F118 HydrophobicContact CG2-CB 4.05Å; V30-F118 HydrophobicContact CG2-CD1 3.77Å; V30-F118 HydrophobicContact CG2-CG 4.26Å
31K89.2Confident87.5Confident21 Ų2143.3 Ų43.39%0.09121%0.214CC..EExtended strand (participates in β ladder)trans-104.2119.7175.3-49.8-170.2177.5-140.30109.6R7 H8 L29 S36 E37 A150 T153R7-K31 PolarHBondContact N-O 3.34Å; H8-K31 HydrophobicContact CB-CB 4.06Å; H8-K31 HydrophobicContact CB-CD 4.04Å; H8-K31 HydrophobicContact CB-CG 4.11Å; H8-K31 PolarHBondContact N-O 2.85Å; H8-K31 PolarHBondContact O-N 3.46Å; L29-K31 HydrophobicContact CG-CG 4.48Å; K31-S36 WeakPolarHBondContact CA-O 3.47Å; K31-E37 HydrophobicContact CB-CG 4.36Å; K31-E37 HydrophobicContact CD-CG 4.37Å; K31-E37 WeakPolarHBondContact CD-OE1 3.23Å; K31-E37 VanDerWaalsContact CE-CD 3.42Å; K31-E37 WeakPolarHBondContact CE-OE1 3.41Å; K31-E37 WeakPolarHBondContact CE-OE2 3.23Å; K31-E37 HydrophobicContact CG-CG 3.93Å; K31-E37 VanDerWaalsContact NZ-CD 3.34Å; K31-E37 IonicContact NZ-OE1 2.78Å; K31-E37 PolarHBondContact NZ-OE1 3.33Å; K31-E37 IonicContact NZ-OE2 3.15Å; K31-E37 PolarHBondContact NZ-OE2 2.98Å; K31-E37 VanDerWaalsContact NZ-OE2 3.13Å; K31-A150 PolarHBondContact NZ-O 3.33Å; K31-T153 PolarHBondContact NZ-OG1 2.7Å
32W88.1Confident88.1Confident25 Ų2537.3 Ų37.310%0.09518%0.182CC..EExtended strand (participates in β ladder)trans-92.2168.2-177.7-65.987.4000112T4 I6 R7 V30 D34 L35 S36 L115T4-W32 HydrophobicContact CG2-CE3 3.75Å; T4-W32 HydrophobicContact CG2-CZ3 3.8Å; I6-W32 HydrophobicContact CD1-CH2 4.04Å; I6-W32 HydrophobicContact CD1-CZ2 4.27Å; I6-W32 HydrophobicContact CD1-CZ3 4.34Å; I6-W32 HydrophobicContact CG1-CD2 4.15Å; I6-W32 HydrophobicContact CG1-CE3 3.84Å; I6-W32 HydrophobicContact CG1-CH2 3.87Å; I6-W32 HydrophobicContact CG1-CZ2 4.15Å; I6-W32 HydrophobicContact CG1-CZ3 3.7Å; R7-W32 WeakPolarHBondContact CD-O 3.31Å; V30-W32 HydrophobicContact CG1-CD2 4.48Å; V30-W32 HydrophobicContact CG1-CZ2 4.1Å; W32-D34 WeakPolarHBondContact CB-OD1 3.31Å; W32-D34 PolarHBondContact O-N 3.32Å; W32-L35 PolarHBondContact O-N 3.25Å; W32-S36 PolarHBondContact N-O 3.41Å; W32-L115 HydrophobicContact CZ3-CD2 4.15Å
33Q88.5Confident88.5Confident52 Ų5237.3 Ų37.324%0.24318%0.177CC..THydrogen-bonded Turntrans-60.5-29.7178.879-63.5-22.700113.1T4 F5 L35T4-Q33 VanDerWaalsContact CA-CD 3.47Å; T4-Q33 PolarHBondContact OG1-NE2 2.87Å; F5-Q33 HydrophobicContact CD1-CB 3.84Å; F5-Q33 HydrophobicContact CD1-CG 4.28Å; F5-Q33 HydrophobicContact CD2-CB 4.32Å; F5-Q33 HydrophobicContact CE1-CB 3.63Å; F5-Q33 HydrophobicContact CE1-CG 4.28Å; F5-Q33 HydrophobicContact CE2-CB 4.15Å; F5-Q33 HydrophobicContact CG-CB 4.17Å; F5-Q33 HydrophobicContact CZ-CB 3.79Å; F5-Q33 WeakPolarHBondContact O-CB 3.39Å; F5-Q33 PolarHBondContact O-N 3.03Å; F5-Q33 PolarHBondContact O-OE1 3.13Å; Q33-L35 PolarHBondContact O-N 3.37Å
34D84.2Confident88.6Confident101 Ų10135.5 Ų35.554%0.5417%0.168SC..THydrogen-bonded Turntrans-79.59.4176.968.4-7.6000113.3W32 S36W32-D34 WeakPolarHBondContact CB-OD1 3.31Å; W32-D34 PolarHBondContact O-N 3.32Å; D34-S36 PolarHBondContact O-N 3.44Å; D34-S36 WeakPolarHBondContact OD1-CB 3.36Å; D34-S36 PolarHBondContact OD1-N 3.42Å; D34-S36 PolarHBondContact OD1-OG 3.23Å; D34-S36 PolarHBondContact OD2-OG 3.25Å
35L78.4Confident88.6Confident121 Ų12137.5 Ų37.563%0.63418%0.183SC*.SBendtrans67.27.5-175.8-46.2177.7000114.1W32 Q33W32-L35 PolarHBondContact O-N 3.25Å; Q33-L35 PolarHBondContact O-N 3.37Å
36S79.9Confident88.6Confident35 Ų3539.3 Ų39.325%0.24519%0.192CC..  trans-71.1137.1173.370.90000110.6K31 W32 D34K31-S36 WeakPolarHBondContact CA-O 3.47Å; W32-S36 PolarHBondContact N-O 3.41Å; D34-S36 PolarHBondContact O-N 3.44Å; D34-S36 WeakPolarHBondContact OD1-CB 3.36Å; D34-S36 PolarHBondContact OD1-N 3.42Å; D34-S36 PolarHBondContact OD1-OG 3.23Å; D34-S36 PolarHBondContact OD2-OG 3.25Å
37E83.3Confident88.7Confident48 Ų4839.4 Ų39.422%0.22419%0.192CC..EExtended strand (participates in β ladder)trans-117.4128.5177.2-56.5-153.2-17700109.5L29 V30 K31 T153 G154L29-E37 HydrophobicContact CD1-CB 4Å; V30-E37 WeakPolarHBondContact O-CA 3.33Å; K31-E37 HydrophobicContact CB-CG 4.36Å; K31-E37 HydrophobicContact CD-CG 4.37Å; K31-E37 WeakPolarHBondContact CD-OE1 3.23Å; K31-E37 VanDerWaalsContact CE-CD 3.42Å; K31-E37 WeakPolarHBondContact CE-OE1 3.41Å; K31-E37 WeakPolarHBondContact CE-OE2 3.23Å; K31-E37 HydrophobicContact CG-CG 3.93Å; K31-E37 VanDerWaalsContact NZ-CD 3.34Å; K31-E37 IonicContact NZ-OE1 2.78Å; K31-E37 PolarHBondContact NZ-OE1 3.33Å; K31-E37 IonicContact NZ-OE2 3.15Å; K31-E37 PolarHBondContact NZ-OE2 2.98Å; K31-E37 VanDerWaalsContact NZ-OE2 3.13Å; E37-T153 WeakPolarHBondContact OE1-CB 3.39Å; E37-T153 PolarHBondContact OE1-OG1 3.31Å; E37-T153 VanDerWaalsContact OE1-OG1 3.08Å; E37-G154 WeakPolarHBondContact OE2-CA 3.49Å; E37-G154 PolarHBondContact OE2-N 2.95Å
38K84.4Confident88.5Confident99 Ų9942.3 Ų42.343%0.4320%0.203SC..EExtended strand (participates in β ladder)trans-137.5142.6-176.6-61.8-68.9-179.7-173.30110.6V30 V120V30-K38 PolarHBondContact N-O 3.19Å; V30-K38 PolarHBondContact O-N 3.1Å; K38-V120 HydrophobicContact CB-CG2 3.45Å; K38-V120 VanDerWaalsContact CB-CG2 3.45Å; K38-V120 HydrophobicContact CD-CG2 4.05Å; K38-V120 HydrophobicContact CG-CG2 3.55Å
39V86.4Confident88.3Confident32 Ų3247.1 Ų47.119%0.19423%0.226CC..EExtended strand (participates in β ladder)trans-90.7131.3169.7-169.80000109L12 F28 Y41 P155L12-V39 HydrophobicContact CD1-CG1 4.49Å; L12-V39 HydrophobicContact CD1-CG2 4.39Å; F28-V39 CarbonylContact O-C 3.4Å; F28-V39 WeakPolarHBondContact O-CA 3.3Å; V39-Y41 HydrophobicContact CG1-CE2 4.02Å; V39-P155 HydrophobicContact CG2-CB 3.59Å; V39-P155 HydrophobicContact CG2-CG 3.32Å
40V92.6Very high88.6Confident0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-128146.7174.2-57.90000110.3F28 V30 F118 V120F28-V40 HydrophobicContact CB-CG2 3.87Å; F28-V40 PolarHBondContact N-O 3.38Å; F28-V40 PolarHBondContact O-N 3.43Å; V30-V40 HydrophobicContact CG2-CG2 3.72Å; V40-F118 HydrophobicContact CG2-CD1 4.18Å; V40-V120 HydrophobicContact CG1-CG2 4.09Å
41Y92.4Very high88.7Confident44 Ų4447.3 Ų47.317%0.17323%0.226CC..EExtended strand (participates in β ladder)trans-113.7126.8-175.3-60.9-93.6000109.9E15 V25 Y26 M27 V39 D124E15-Y41 VanDerWaalsContact CD-CE1 3.45Å; E15-Y41 HydrophobicContact CG-CE1 4.24Å; E15-Y41 WeakPolarHBondContact OE1-CE1 3.31Å; E15-Y41 PolarHBondContact OE1-OH 2.88Å; V25-Y41 HydrophobicContact CG2-CD1 3.89Å; Y26-Y41 VanDerWaalsContact O-CA 3.3Å; Y26-Y41 WeakPolarHBondContact O-CA 3.42Å; M27-Y41 HydrophobicContact CB-CE1 4.43Å; M27-Y41 HydrophobicContact CE-CE1 3.86Å; M27-Y41 HydrophobicContact CG-CD1 3.83Å; M27-Y41 HydrophobicContact CG-CE1 3.61Å; M27-Y41 HydrophobicContact SD-CE1 4.29Å; V39-Y41 HydrophobicContact CG1-CE2 4.02Å; Y41-D124 HydrophobicContact CD2-CB 4.13Å; Y41-D124 PolarHBondContact N-OD1 3.06Å
42R93.8Very high88.6Confident0 Ų051 Ų510%024%0.243CC..EExtended strand (participates in β ladder)trans-135.1137.9-179.5-57.7-66177.3-95.5-1.1111.2Y26 F28 I47 F117 K119 D124Y26-R42 PolarHBondContact N-O 3.07Å; Y26-R42 PolarHBondContact O-N 3Å; F28-R42 HydrophobicContact CD2-CB 4.42Å; F28-R42 HydrophobicContact CD2-CG 4.32Å; F28-R42 HydrophobicContact CE2-CB 4.09Å; F28-R42 HydrophobicContact CE2-CG 4.41Å; R42-I47 HydrophobicContact CB-CD1 4.34Å; R42-I47 HydrophobicContact CB-CG1 4.02Å; R42-F117 HydrophobicContact CB-CZ 4.04Å; R42-F117 HydrophobicContact CG-CE1 3.98Å; R42-F117 HydrophobicContact CG-CE2 4.49Å; R42-F117 HydrophobicContact CG-CZ 3.77Å; R42-F117 VanDerWaalsContact CZ-O 3.26Å; R42-F117 PolarHBondContact NE-O 3.4Å; R42-F117 PolarHBondContact NH2-O 2.85Å; R42-K119 PolarHBondContact NH2-O 3.5Å; R42-D124 IonicContact CZ-OD2 3.36Å; R42-D124 IonicContact NH1-OD1 3.67Å; R42-D124 PolarHBondContact NH1-OD1 3.02Å; R42-D124 VanDerWaalsContact NH1-OD1 3.15Å; R42-D124 IonicContact NH1-OD2 2.72Å; R42-D124 PolarHBondContact NH1-OD2 3.07Å; R42-D124 IonicContact NH2-OD2 2.94Å
43R91.4Very high88.8Confident116 Ų11652.1 Ų52.144%0.43825%0.252SS..  trans-76.1154.1170.2-64.2177-68.61802.8110.3V25 T45 E46 I47V25-R43 HydrophobicContact CG1-CG 3.86Å; R43-T45 PolarHBondContact O-N 2.9Å; R43-E46 HydrophobicContact CB-CG 4.2Å; R43-E46 VanDerWaalsContact CB-OE2 3.24Å; R43-E46 WeakPolarHBondContact CB-OE2 3.38Å; R43-E46 WeakPolarHBondContact CG-OE2 3.35Å; R43-E46 IonicContact CZ-OE2 4Å; R43-E46 PolarHBondContact N-OE2 3Å; R43-E46 IonicContact NE-OE2 3.08Å; R43-E46 PolarHBondContact NE-OE2 3.4Å; R43-E46 VanDerWaalsContact NE-OE2 3.08Å; R43-E46 WeakPolarHBondContact O-CB 3.3Å; R43-E46 PolarHBondContact O-N 3.23Å; R43-I47 WeakPolarHBondContact O-CG1 3.45Å; R43-I47 PolarHBondContact O-N 3.23Å; R43-I47 VanDerWaalsContact O-N 3.11Å
44F89.4Confident89Confident6 Ų649.7 Ų49.73%0.02624%0.24CC..Hα-helixtrans-56.7-39.5175.9-167.1-108.7000112.6Y26 E46 I47 Y48 L75 P76 P78 R90 L94Y26-F44 HydrophobicContact CE2-CB 3.94Å; Y26-F44 HydrophobicContact CE2-CD2 4.23Å; F44-E46 VanDerWaalsContact C-N 3.3Å; F44-E46 PolarHBondContact O-N 3.2Å; F44-I47 PolarHBondContact O-N 2.79Å; F44-Y48 WeakPolarHBondContact O-CB 3.47Å; F44-Y48 PolarHBondContact O-N 3.43Å; F44-L75 HydrophobicContact CE2-CD1 4.41Å; F44-L75 HydrophobicContact CZ-CG 4.4Å; F44-P76 HydrophobicContact CZ-CG 4.42Å; F44-P76 WeakPolarHBondContact CZ-O 3.24Å; F44-P78 HydrophobicContact CD1-CB 4.09Å; F44-P78 HydrophobicContact CD1-CG 4.09Å; F44-P78 HydrophobicContact CE1-CB 4.26Å; F44-P78 HydrophobicContact CE1-CG 4.11Å; F44-R90 HydrophobicContact CE2-CG 4.24Å; F44-L94 HydrophobicContact CD2-CD1 4.37Å; F44-L94 HydrophobicContact CD2-CD2 4.39Å; F44-L94 HydrophobicContact CE2-CD2 4.13Å
45T88.6Confident89.4Confident66 Ų6648.9 Ų48.941%0.40523%0.232SC..Hα-helixtrans-60.3-40.2177.350.40000112R43 Y48 E49R43-T45 PolarHBondContact O-N 2.9Å; T45-Y48 PolarHBondContact O-N 3.02Å; T45-E49 WeakPolarHBondContact O-CG 3.42Å; T45-E49 PolarHBondContact O-N 3.34Å
46E92.3Very high90Very high45 Ų4549 Ų4921%0.2123%0.23CC..Hα-helixtrans-67.1-39.5176.3-62.7172.792.700111.7R43 F44 Y48 F50 F117 R121R43-E46 HydrophobicContact CB-CG 4.2Å; R43-E46 VanDerWaalsContact CB-OE2 3.24Å; R43-E46 WeakPolarHBondContact CB-OE2 3.38Å; R43-E46 WeakPolarHBondContact CG-OE2 3.35Å; R43-E46 IonicContact CZ-OE2 4Å; R43-E46 PolarHBondContact N-OE2 3Å; R43-E46 IonicContact NE-OE2 3.08Å; R43-E46 PolarHBondContact NE-OE2 3.4Å; R43-E46 VanDerWaalsContact NE-OE2 3.08Å; R43-E46 WeakPolarHBondContact O-CB 3.3Å; R43-E46 PolarHBondContact O-N 3.23Å; F44-E46 VanDerWaalsContact C-N 3.3Å; F44-E46 PolarHBondContact O-N 3.2Å; E46-Y48 VanDerWaalsContact C-N 3.31Å; E46-F50 VanDerWaalsContact O-CB 3.32Å; E46-F50 WeakPolarHBondContact O-CB 3.24Å; E46-F50 PolarHBondContact O-N 3.27Å; E46-F117 HydrophobicContact CB-CE2 4.17Å; E46-F117 WeakPolarHBondContact O-CE2 3.49Å; E46-R121 IonicContact OE1-CZ 2.74Å; E46-R121 IonicContact OE1-NH1 3.34Å; E46-R121 PolarHBondContact OE1-NH1 3.29Å
47I93.6Very high90.5Very high4 Ų451.5 Ų51.52%0.02124%0.238CC..Hα-helixtrans-64.3-40175.9-57.6164.4000110.2Y26 F28 R42 R43 F44 F50 H51 L75 L94 Y97 F117Y26-I47 HydrophobicContact CD2-CD1 4.02Å; Y26-I47 HydrophobicContact CG-CD1 4.47Å; F28-I47 HydrophobicContact CE2-CD1 3.87Å; F28-I47 HydrophobicContact CZ-CD1 3.8Å; R42-I47 HydrophobicContact CB-CD1 4.34Å; R42-I47 HydrophobicContact CB-CG1 4.02Å; R43-I47 WeakPolarHBondContact O-CG1 3.45Å; R43-I47 PolarHBondContact O-N 3.23Å; R43-I47 VanDerWaalsContact O-N 3.11Å; F44-I47 PolarHBondContact O-N 2.79Å; I47-F50 WeakPolarHBondContact O-CB 3.4Å; I47-F50 PolarHBondContact O-N 3.49Å; I47-H51 WeakPolarHBondContact O-CB 3.43Å; I47-H51 PolarHBondContact O-N 2.69Å; I47-L75 HydrophobicContact CG2-CD2 3.89Å; I47-L94 HydrophobicContact CD1-CD1 3.99Å; I47-L94 HydrophobicContact CD1-CD2 3.94Å; I47-L94 HydrophobicContact CG2-CD2 3.95Å; I47-Y97 HydrophobicContact CG2-CE1 4.34Å; I47-F117 HydrophobicContact CB-CZ 4.24Å; I47-F117 HydrophobicContact CG1-CE1 4.27Å; I47-F117 HydrophobicContact CG1-CZ 3.75Å
48Y88.9Confident91Very high65 Ų6550.5 Ų50.526%0.25523%0.233SC..Hα-helixtrans-68.6-43.1178.8-174.7-100.8000112.8F44 T45 E46 F50 H51 K52 L75 A77 P78F44-Y48 WeakPolarHBondContact O-CB 3.47Å; F44-Y48 PolarHBondContact O-N 3.43Å; T45-Y48 PolarHBondContact O-N 3.02Å; E46-Y48 VanDerWaalsContact C-N 3.31Å; Y48-F50 VanDerWaalsContact C-N 3.34Å; Y48-H51 WeakPolarHBondContact O-CB 3.34Å; Y48-H51 PolarHBondContact O-N 3.25Å; Y48-K52 PolarHBondContact O-N 3.36Å; Y48-L75 HydrophobicContact CD2-CD2 4.24Å; Y48-A77 HydrophobicContact CE2-CB 4.12Å; Y48-P78 HydrophobicContact CD1-CG 3.82Å; Y48-P78 HydrophobicContact CD2-CG 4.37Å; Y48-P78 HydrophobicContact CE1-CG 4.45Å; Y48-P78 HydrophobicContact CG-CG 3.76Å
49E89.1Confident91.3Very high102 Ų10248.4 Ų48.448%0.47723%0.23SC..Hα-helixtrans-62.8-42.8173.3-69.6-54.3143.700111.3T45 H51 K52 T53T45-E49 WeakPolarHBondContact O-CG 3.42Å; T45-E49 PolarHBondContact O-N 3.34Å; E49-H51 VanDerWaalsContact C-N 3.3Å; E49-H51 PolarHBondContact O-N 3.38Å; E49-K52 WeakPolarHBondContact O-CB 3.24Å; E49-K52 PolarHBondContact O-N 3.29Å; E49-T53 PolarHBondContact O-N 3.41Å; E49-T53 PolarHBondContact O-OG1 3.03Å
50F95.3Very high91.4Very high5 Ų550.8 Ų50.82%0.02224%0.241CC..Hα-helixtrans-53.7-48.2171.4158.6-101.4000111.6E46 I47 Y48 K52 T53 L54 Y97 L101 H113 L114 F117E46-F50 VanDerWaalsContact O-CB 3.32Å; E46-F50 WeakPolarHBondContact O-CB 3.24Å; E46-F50 PolarHBondContact O-N 3.27Å; I47-F50 WeakPolarHBondContact O-CB 3.4Å; I47-F50 PolarHBondContact O-N 3.49Å; Y48-F50 VanDerWaalsContact C-N 3.34Å; F50-K52 PolarHBondContact O-N 3.5Å; F50-T53 PolarHBondContact O-N 3.24Å; F50-L54 HydrophobicContact CE1-CD2 4.48Å; F50-L54 HydrophobicContact CZ-CD2 4.17Å; F50-L54 WeakPolarHBondContact O-CB 3.4Å; F50-L54 PolarHBondContact O-N 3.26Å; F50-Y97 HydrophobicContact CE1-CE1 4.17Å; F50-Y97 WeakPolarHBondContact CE1-OH 3.46Å; F50-L101 HydrophobicContact CE1-CD1 3.86Å; F50-L101 HydrophobicContact CZ-CD1 4.21Å; F50-H113 AromaticContact CD2-CD2 3.45Å; F50-H113 VanDerWaalsContact CD2-CD2 3.45Å; F50-H113 WeakPolarHBondContact CD2-CD2 3.48Å; F50-H113 AromaticContact CD2-CE1 3.95Å; F50-H113 AromaticContact CD2-NE2 3.22Å; F50-H113 WeakPolarHBondContact CD2-NE2 3.4Å; F50-H113 AromaticContact CE2-CD2 3.49Å; F50-H113 VanDerWaalsContact CE2-CD2 3.49Å; F50-H113 WeakPolarHBondContact CE2-CD2 3.38Å; F50-H113 AromaticContact CE2-NE2 3.78Å; F50-H113 PolarHBondContact O-NE2 3.09Å; F50-L114 HydrophobicContact CE2-CB 4.23Å; F50-L114 HydrophobicContact CZ-CB 4.3Å; F50-L114 HydrophobicContact CZ-CD1 4.5Å; F50-L114 HydrophobicContact CZ-CG 4.27Å; F50-F117 HydrophobicContact CB-CD2 3.57Å; F50-F117 HydrophobicContact CB-CE2 3.62Å; F50-F117 HydrophobicContact CB-CG 4.04Å; F50-F117 HydrophobicContact CB-CZ 4.13Å; F50-F117 HydrophobicContact CD1-CD1 4.25Å; F50-F117 HydrophobicContact CD1-CE1 4.35Å; F50-F117 HydrophobicContact CD1-CG 4.44Å; F50-F117 HydrophobicContact CD2-CB 3.67Å; F50-F117 HydrophobicContact CD2-CD1 4.2Å; F50-F117 HydrophobicContact CD2-CD2 4.01Å; F50-F117 AromaticContact CD2-CG 3.69Å; F50-F117 HydrophobicContact CD2-CG 3.69Å; F50-F117 HydrophobicContact CE2-CB 4.04Å; F50-F117 HydrophobicContact CE2-CG 4.33Å; F50-F117 HydrophobicContact CG-CB 4.29Å; F50-F117 HydrophobicContact CG-CD1 4.04Å; F50-F117 AromaticContact CG-CD2 3.86Å; F50-F117 HydrophobicContact CG-CD2 3.86Å; F50-F117 HydrophobicContact CG-CE1 4.36Å; F50-F117 HydrophobicContact CG-CE2 4.19Å; F50-F117 AromaticContact CG-CG 3.78Å; F50-F117 HydrophobicContact CG-CG 3.78Å; F50-F117 HydrophobicContact CG-CZ 4.43Å
51H92.8Very high91.4Very high7 Ų751.9 Ų51.93%0.03225%0.246CC..Hα-helixtrans-62-40.8178.8179.364.6000112.5I47 Y48 E49 L54 K55 P73 L75 Y97I47-H51 WeakPolarHBondContact O-CB 3.43Å; I47-H51 PolarHBondContact O-N 2.69Å; Y48-H51 WeakPolarHBondContact O-CB 3.34Å; Y48-H51 PolarHBondContact O-N 3.25Å; E49-H51 VanDerWaalsContact C-N 3.3Å; E49-H51 PolarHBondContact O-N 3.38Å; H51-L54 WeakPolarHBondContact O-CB 3.36Å; H51-L54 PolarHBondContact O-N 2.98Å; H51-K55 WeakPolarHBondContact NE2-CD 3.29Å; H51-K55 WeakPolarHBondContact O-CG 3.4Å; H51-K55 PolarHBondContact O-N 3.41Å; H51-P73 PolarHBondContact CE1-O 3.23Å; H51-L75 HydrophobicContact CB-CB 4.42Å; H51-L75 HydrophobicContact CB-CD2 3.76Å; H51-Y97 WeakPolarHBondContact CB-OH 3.41Å; H51-Y97 AromaticContact CE1-CE2 3.97Å; H51-Y97 AromaticContact ND1-CE2 3.45Å; H51-Y97 WeakPolarHBondContact ND1-CE2 3.23Å; H51-Y97 AromaticContact ND1-CZ 3.61Å; H51-Y97 PolarHBondContact ND1-OH 2.96Å
52K87.1Confident91.1Very high99 Ų9950 Ų5043%0.4324%0.239SC..Hα-helixtrans-61.2-51.4177.8-174.6-173.5172.1-166.60111Y48 E49 F50 L54 K55 E56Y48-K52 PolarHBondContact O-N 3.36Å; E49-K52 WeakPolarHBondContact O-CB 3.24Å; E49-K52 PolarHBondContact O-N 3.29Å; F50-K52 PolarHBondContact O-N 3.5Å; K52-L54 VanDerWaalsContact C-N 3.28Å; K52-L54 PolarHBondContact O-N 2.87Å; K52-K55 WeakPolarHBondContact O-CB 3.46Å; K52-K55 PolarHBondContact O-N 2.97Å; K52-K55 VanDerWaalsContact O-N 3.16Å; K52-E56 WeakPolarHBondContact CE-OE1 3.47Å; K52-E56 WeakPolarHBondContact O-CG 3.15Å; K52-E56 PolarHBondContact O-N 3.39Å; K52-E56 VanDerWaalsContact O-N 3.1Å
53T93.3Very high90.8Very high48 Ų4850.8 Ų50.829%0.29425%0.248SC..Hα-helixtrans-61.9-37.2176.5-56.30000111.6E49 F50 K55 E56 M57 H113E49-T53 PolarHBondContact O-N 3.41Å; E49-T53 PolarHBondContact O-OG1 3.03Å; F50-T53 PolarHBondContact O-N 3.24Å; T53-K55 VanDerWaalsContact C-N 3.32Å; T53-K55 PolarHBondContact O-N 2.8Å; T53-E56 PolarHBondContact O-N 2.9Å; T53-M57 HydrophobicContact CG2-CG 4.47Å; T53-M57 HydrophobicContact CG2-SD 4.22Å; T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 2.87Å; T53-H113 WeakPolarHBondContact CB-NE2 3.41Å
54L92.8Very high90.3Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-60.8-41.4175.8-170.572.2000111.9F50 H51 K52 E56 M57 F58 I72 L101 I108F50-L54 HydrophobicContact CE1-CD2 4.48Å; F50-L54 HydrophobicContact CZ-CD2 4.17Å; F50-L54 WeakPolarHBondContact O-CB 3.4Å; F50-L54 PolarHBondContact O-N 3.26Å; H51-L54 WeakPolarHBondContact O-CB 3.36Å; H51-L54 PolarHBondContact O-N 2.98Å; K52-L54 VanDerWaalsContact C-N 3.28Å; K52-L54 PolarHBondContact O-N 2.87Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-M57 PolarHBondContact O-N 2.89Å; L54-F58 HydrophobicContact CD1-CD2 3.82Å; L54-F58 HydrophobicContact CD1-CE2 3.76Å; L54-F58 HydrophobicContact CG-CD2 4.27Å; L54-F58 WeakPolarHBondContact O-CD2 3.46Å; L54-F58 PolarHBondContact O-N 2.94Å; L54-F58 VanDerWaalsContact O-N 3.14Å; L54-I72 HydrophobicContact CD2-CG2 4.28Å; L54-I72 HydrophobicContact CG-CD1 4.4Å; L54-L101 HydrophobicContact CD2-CD2 3.62Å; L54-I108 HydrophobicContact CD1-CG2 4.08Å
55K90.7Very high89.8Confident85 Ų8554.8 Ų54.837%0.3729%0.288SS..Hα-helixtrans-65.9-36.8175.6-71.5174.957.6-171.90112.8H51 K52 T53 M57 F58 A62H51-K55 WeakPolarHBondContact NE2-CD 3.29Å; H51-K55 WeakPolarHBondContact O-CG 3.4Å; H51-K55 PolarHBondContact O-N 3.41Å; K52-K55 WeakPolarHBondContact O-CB 3.46Å; K52-K55 PolarHBondContact O-N 2.97Å; K52-K55 VanDerWaalsContact O-N 3.16Å; T53-K55 VanDerWaalsContact C-N 3.32Å; T53-K55 PolarHBondContact O-N 2.8Å; K55-M57 VanDerWaalsContact C-N 3.33Å; K55-F58 CarbonylContact O-C 3.5Å; K55-F58 PolarHBondContact O-N 2.88Å; K55-A62 HydrophobicContact CB-CB 3.9Å; K55-A62 HydrophobicContact CG-CB 3.89Å
56E91.8Very high89.6Confident124 Ų12454.9 Ų54.958%0.57929%0.286SS*.Hα-helixtrans-66.7-36.5176.7-69.7167.7-178.600111.3K52 T53 L54K52-E56 WeakPolarHBondContact CE-OE1 3.47Å; K52-E56 WeakPolarHBondContact O-CG 3.15Å; K52-E56 PolarHBondContact O-N 3.39Å; K52-E56 VanDerWaalsContact O-N 3.1Å; T53-E56 PolarHBondContact O-N 2.9Å; L54-E56 VanDerWaalsContact C-N 3.34Å
57M91.6Very high89.2Confident86 Ų8657.3 Ų57.342%0.42431%0.306SS..Hα-helixtrans-71.4-31.1176.5-68.817569.500113.6T53 L54 K55 P59 H113T53-M57 HydrophobicContact CG2-CG 4.47Å; T53-M57 HydrophobicContact CG2-SD 4.22Å; T53-M57 VanDerWaalsContact O-CG 3.31Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 2.87Å; L54-M57 PolarHBondContact O-N 2.89Å; K55-M57 VanDerWaalsContact C-N 3.33Å; M57-P59 VanDerWaalsContact C-CD 3.5Å; M57-P59 WeakPolarHBondContact O-CD 3.45Å; M57-H113 HydrophobicContact CE-CB 4.06Å; M57-H113 HydrophobicContact SD-CB 3.64Å
58F93.4Very high88.9Confident27 Ų2765 Ų6512%0.11834%0.341CS..  trans-129.167.1-174-59-71.7000111.3L54 K55 I60 E61 A62 I72 K107 I108 C111L54-F58 HydrophobicContact CD1-CD2 3.82Å; L54-F58 HydrophobicContact CD1-CE2 3.76Å; L54-F58 HydrophobicContact CG-CD2 4.27Å; L54-F58 WeakPolarHBondContact O-CD2 3.46Å; L54-F58 PolarHBondContact O-N 2.94Å; L54-F58 VanDerWaalsContact O-N 3.14Å; K55-F58 CarbonylContact O-C 3.5Å; K55-F58 PolarHBondContact O-N 2.88Å; F58-I60 VanDerWaalsContact C-N 3.32Å; F58-I60 PolarHBondContact O-N 2.82Å; F58-E61 HydrophobicContact CB-CB 4.3Å; F58-E61 PolarHBondContact O-N 2.74Å; F58-A62 WeakPolarHBondContact O-CB 3.42Å; F58-A62 PolarHBondContact O-N 2.75Å; F58-I72 HydrophobicContact CB-CD1 3.7Å; F58-I72 HydrophobicContact CG-CD1 4.49Å; F58-K107 VanDerWaalsContact CZ-O 3.28Å; F58-K107 WeakPolarHBondContact CZ-O 3.12Å; F58-I108 HydrophobicContact CB-CD1 4.46Å; F58-I108 HydrophobicContact CD1-CD1 4.38Å; F58-I108 HydrophobicContact CD1-CG1 3.97Å; F58-I108 HydrophobicContact CD2-CG1 4.23Å; F58-I108 HydrophobicContact CD2-CG2 4.11Å; F58-I108 HydrophobicContact CE1-CG1 4.01Å; F58-I108 HydrophobicContact CE2-CB 4.4Å; F58-I108 HydrophobicContact CE2-CG1 4.28Å; F58-I108 HydrophobicContact CE2-CG2 4.06Å; F58-I108 HydrophobicContact CG-CD1 4.23Å; F58-I108 HydrophobicContact CG-CG1 4.08Å; F58-I108 HydrophobicContact CZ-CB 4.48Å; F58-I108 HydrophobicContact CZ-CG1 4.17Å; F58-C111 HydrophobicContact CE2-CB 4.19Å; F58-C111 HydrophobicContact CZ-CB 3.94Å
59P90.1Very high88.8Confident56 Ų5665.8 Ų65.836%0.36435%0.35SS..THydrogen-bonded Turntrans-66.7-30.3-170.925.1-34.6000113.6M57 G63 A64M57-P59 VanDerWaalsContact C-CD 3.5Å; M57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-G63 PolarHBondContact O-N 2.87Å; P59-A64 HydrophobicContact CB-CB 4.2Å; P59-A64 VanDerWaalsContact O-CB 3.24Å; P59-A64 WeakPolarHBondContact O-CB 3.35Å; P59-A64 PolarHBondContact O-N 3.43Å
60I88.4Confident88.8Confident82 Ų8264 Ų6442%0.42134%0.339SS..THydrogen-bonded Turntrans-68.1-51.4177.4-64165.3000109.5F58 A62 G63 I65 N69F58-I60 VanDerWaalsContact C-N 3.32Å; F58-I60 PolarHBondContact O-N 2.82Å; I60-A62 VanDerWaalsContact C-N 3.26Å; I60-A62 PolarHBondContact O-N 3.29Å; I60-G63 WeakPolarHBondContact O-CA 3.46Å; I60-G63 PolarHBondContact O-N 2.92Å; I60-I65 HydrophobicContact CG1-CD1 3.72Å; I60-I65 HydrophobicContact CG1-CG1 4.43Å; I60-N69 HydrophobicContact CG2-CB 3.99Å
61E91.8Very high88.6Confident23 Ų2367 Ų6711%0.10736%0.357CS..THydrogen-bonded Turntrans-72.8-20.5-177.8-61.291.316100112.7F58 R70 T71 I72 K107 I108F58-E61 HydrophobicContact CB-CB 4.3Å; F58-E61 PolarHBondContact O-N 2.74Å; E61-R70 CarbonylContact O-C 3.58Å; E61-R70 WeakPolarHBondContact O-CA 3.34Å; E61-T71 WeakPolarHBondContact CB-OG1 3.48Å; E61-T71 PolarHBondContact O-N 3.41Å; E61-I72 HydrophobicContact CB-CD1 4.04Å; E61-I72 HydrophobicContact CB-CG1 4.05Å; E61-I72 PolarHBondContact O-N 3.08Å; E61-K107 WeakPolarHBondContact OE1-CE 3.44Å; E61-K107 IonicContact OE1-NZ 3.49Å; E61-K107 PolarHBondContact OE1-NZ 2.91Å; E61-I108 HydrophobicContact CB-CD1 3.84Å; E61-I108 HydrophobicContact CG-CD1 3.84Å
62A88.1Confident88.5Confident4 Ų466.7 Ų66.73%0.03336%0.356CS..THydrogen-bonded Turntrans-76.8-8.516800000113.3K55 F58 I60 R70 I72K55-A62 HydrophobicContact CB-CB 3.9Å; K55-A62 HydrophobicContact CG-CB 3.89Å; F58-A62 WeakPolarHBondContact O-CB 3.42Å; F58-A62 PolarHBondContact O-N 2.75Å; I60-A62 VanDerWaalsContact C-N 3.26Å; I60-A62 PolarHBondContact O-N 3.29Å; A62-R70 PolarHBondContact O-NH1 3.26Å; A62-I72 HydrophobicContact CB-CD1 4.33Å
63G86.3Confident88.7Confident17 Ų1763 Ų6318%0.17534%0.342CS..THydrogen-bonded Turntrans74.122.6-176.900000114P59 I60 N66P59-G63 PolarHBondContact O-N 2.87Å; I60-G63 WeakPolarHBondContact O-CA 3.46Å; I60-G63 PolarHBondContact O-N 2.92Å; G63-N66 WeakPolarHBondContact CA-O 3.48Å
64A80.2Confident88.4Confident80 Ų8067.2 Ų67.266%0.66136%0.358SS*.SBendtrans-74.5-27.8-179.500000112.8P59P59-A64 HydrophobicContact CB-CB 4.2Å; P59-A64 VanDerWaalsContact O-CB 3.24Å; P59-A64 WeakPolarHBondContact O-CB 3.35Å; P59-A64 PolarHBondContact O-N 3.43Å
65I79.3Confident88.1Confident126 Ų12667.9 Ų67.965%0.64636%0.362SS*.SBendtrans-94.1-47.8178-52.5-171.9000110.9I60I60-I65 HydrophobicContact CG1-CD1 3.72Å; I60-I65 HydrophobicContact CG1-CG1 4.43Å
66N84.1Confident87.7Confident68 Ų6867 Ų6736%0.36436%0.364SS..  trans-140.3124.3175.6-176.7-9000109.1G63 E68 N69G63-N66 WeakPolarHBondContact CA-O 3.48Å; N66-E68 PolarHBondContact O-N 3.11Å; N66-E68 PolarHBondContact OD1-N 3.33Å; N66-E68 VanDerWaalsContact OD1-N 3.11Å; N66-N69 PolarHBondContact O-N 3.35Å; N66-N69 VanDerWaalsContact O-N 3.13Å
67P84.8Confident86.9Confident96 Ų9663.9 Ų63.962%0.62336%0.36SS*.G310 helixtrans-53.7-34177.7-27.935.6000114.4N69 R70P67-N69 PolarHBondContact O-N 3.5Å; P67-R70 WeakPolarHBondContact O-CB 3.41Å; P67-R70 PolarHBondContact O-N 3.38Å; P67-R70 VanDerWaalsContact O-N 3.13Å
68E87.3Confident86.1Confident165 Ų16562 Ų6277%0.77135%0.354SS*.G310 helixtrans-67-21.6-178.1-61.2-56.8145.400113.5N66 R70N66-E68 PolarHBondContact O-N 3.11Å; N66-E68 PolarHBondContact OD1-N 3.33Å; N66-E68 VanDerWaalsContact OD1-N 3.11Å; E68-R70 VanDerWaalsContact C-N 3.25Å; E68-R70 PolarHBondContact O-N 3.42Å
69N86.3Confident84.9Confident81 Ų8170 Ų7043%0.43338%0.384SS..G310 helixtrans-86.41.7178.8-66.8-25.4000112.7I60 N66 P67 T71I60-N69 HydrophobicContact CG2-CB 3.99Å; N66-N69 PolarHBondContact O-N 3.35Å; N66-N69 VanDerWaalsContact O-N 3.13Å; P67-N69 PolarHBondContact O-N 3.5Å; N69-T71 PolarHBondContact O-N 3.28Å
70R90Very high82.9Confident66 Ų6679 Ų7925%0.24941%0.41CS..  trans-69.4118.6-175.8-171.8-177.2-178.71102.9110.8E61 A62 P67 E68 I72 P73 H74E61-R70 CarbonylContact O-C 3.58Å; E61-R70 WeakPolarHBondContact O-CA 3.34Å; A62-R70 PolarHBondContact O-NH1 3.26Å; P67-R70 WeakPolarHBondContact O-CB 3.41Å; P67-R70 PolarHBondContact O-N 3.38Å; P67-R70 VanDerWaalsContact O-N 3.13Å; E68-R70 VanDerWaalsContact C-N 3.25Å; E68-R70 PolarHBondContact O-N 3.42Å; R70-I72 PolarHBondContact NE-O 3.05Å; R70-I72 PolarHBondContact NH2-O 2.88Å; R70-I72 VanDerWaalsContact NH2-O 3.13Å; R70-P73 PolarHBondContact NH2-O 3.46Å; R70-H74 WeakPolarHBondContact CD-NE2 3.37Å; R70-H74 PolarHBondContact NE-CD2 2.96Å; R70-H74 VanDerWaalsContact NE-CD2 3.32Å; R70-H74 PolarHBondContact NE-CE1 3.04Å; R70-H74 PolarHBondContact NE-NE2 2.75Å; R70-H74 PolarHBondContact NH1-CE1 2.91Å; R70-H74 PolarHBondContact NH2-ND1 3.32Å
71T91.2Very high81.2Confident67 Ų6783.1 Ų83.141%0.41143%0.426SS..  trans-119.4-26.4171.253.60000111.8E61 N69 L104E61-T71 WeakPolarHBondContact CB-OG1 3.48Å; E61-T71 PolarHBondContact O-N 3.41Å; N69-T71 PolarHBondContact O-N 3.28Å; T71-L104 WeakPolarHBondContact O-CD2 3.28Å
72I90.1Very high79.9Confident0 Ų084.8 Ų84.80%044%0.436CS..SBendtrans-68.1124176.7-63.9175.3000109.3L54 F58 E61 A62 R70 L104 I108L54-I72 HydrophobicContact CD2-CG2 4.28Å; L54-I72 HydrophobicContact CG-CD1 4.4Å; F58-I72 HydrophobicContact CB-CD1 3.7Å; F58-I72 HydrophobicContact CG-CD1 4.49Å; E61-I72 HydrophobicContact CB-CD1 4.04Å; E61-I72 HydrophobicContact CB-CG1 4.05Å; E61-I72 PolarHBondContact O-N 3.08Å; A62-I72 HydrophobicContact CB-CD1 4.33Å; R70-I72 PolarHBondContact NE-O 3.05Å; R70-I72 PolarHBondContact NH2-O 2.88Å; R70-I72 VanDerWaalsContact NH2-O 3.13Å; I72-L104 HydrophobicContact CG1-CD1 4.07Å; I72-I108 HydrophobicContact CD1-CD1 4.33Å; I72-I108 HydrophobicContact CG1-CD1 4.24Å
73P90.6Very high79.4Confident21 Ų2186.3 Ų86.314%0.13645%0.451CS..PPolyproline II helixtrans-60.9155.3-176.924.7-34.8000111.7H51 R70 Y97 T100 L101H51-P73 PolarHBondContact CE1-O 3.23Å; R70-P73 PolarHBondContact NH2-O 3.46Å; P73-Y97 HydrophobicContact CB-CD2 3.95Å; P73-Y97 HydrophobicContact CB-CE2 4.43Å; P73-Y97 HydrophobicContact CG-CD2 3.48Å; P73-Y97 VanDerWaalsContact CG-CD2 3.48Å; P73-Y97 HydrophobicContact CG-CE2 3.67Å; P73-Y97 HydrophobicContact CG-CG 4.35Å; P73-T100 HydrophobicContact CB-CG2 4.02Å; P73-T100 HydrophobicContact CG-CG2 3.97Å; P73-L101 HydrophobicContact CG-CD2 4.32Å; P73-L101 HydrophobicContact CG-CG 4.42Å
74H88Confident79.1Confident137 Ų13788.7 Ų88.763%0.63446%0.458SS*.PPolyproline II helixtrans-76.8139.9172.2-74.3-91.1000110.4R70R70-H74 WeakPolarHBondContact CD-NE2 3.37Å; R70-H74 PolarHBondContact NE-CD2 2.96Å; R70-H74 VanDerWaalsContact NE-CD2 3.32Å; R70-H74 PolarHBondContact NE-CE1 3.04Å; R70-H74 PolarHBondContact NE-NE2 2.75Å; R70-H74 PolarHBondContact NH1-CE1 2.91Å; R70-H74 PolarHBondContact NH2-ND1 3.32Å
75L87.1Confident79.1Confident14 Ų1494.1 Ų94.17%0.07346%0.461CS..  trans-123.5124.9169-166.873.2000109.4F44 I47 Y48 H51 T93 L94 Y97F44-L75 HydrophobicContact CE2-CD1 4.41Å; F44-L75 HydrophobicContact CZ-CG 4.4Å; I47-L75 HydrophobicContact CG2-CD2 3.89Å; Y48-L75 HydrophobicContact CD2-CD2 4.24Å; H51-L75 HydrophobicContact CB-CB 4.42Å; H51-L75 HydrophobicContact CB-CD2 3.76Å; L75-T93 HydrophobicContact CD1-CG2 4.47Å; L75-L94 HydrophobicContact CD1-CD2 4.05Å; L75-Y97 HydrophobicContact CB-CD2 4.26Å; L75-Y97 HydrophobicContact CB-CE2 4.06Å; L75-Y97 HydrophobicContact CD1-CD1 4.46Å; L75-Y97 HydrophobicContact CD1-CD2 3.96Å; L75-Y97 HydrophobicContact CD1-CE2 4.35Å; L75-Y97 HydrophobicContact CD1-CG 4.04Å
76P80.9Confident79.1Confident66 Ų6689.2 Ų89.243%0.42944%0.44SS..PPolyproline II helixtrans-67.5146-178.427-33.1000111.2F44 T93F44-P76 HydrophobicContact CZ-CG 4.42Å; F44-P76 WeakPolarHBondContact CZ-O 3.24Å; P76-T93 HydrophobicContact CG-CG2 4.3Å
77A76Confident79.2Confident59 Ų5986 Ų8649%0.48842%0.423SS..PPolyproline II helixtrans-62.7148.2177.300000112Y48 R79Y48-A77 HydrophobicContact CE2-CB 4.12Å; A77-R79 PolarHBondContact O-N 3.26Å
78P73.7Confident79.2Confident46 Ų4686.4 Ų86.430%0.29942%0.416SS..PPolyproline II helixtrans-58.8138.9174.3-19.831.9000110.3F44 Y48F44-P78 HydrophobicContact CD1-CB 4.09Å; F44-P78 HydrophobicContact CD1-CG 4.09Å; F44-P78 HydrophobicContact CE1-CB 4.26Å; F44-P78 HydrophobicContact CE1-CG 4.11Å; Y48-P78 HydrophobicContact CD1-CG 3.82Å; Y48-P78 HydrophobicContact CD2-CG 4.37Å; Y48-P78 HydrophobicContact CE1-CG 4.45Å; Y48-P78 HydrophobicContact CG-CG 3.76Å
79R68.6Low79Confident196 Ų19683.9 Ų83.974%0.7441%0.408SS*.PPolyproline II helixtrans-88.2152.9171.8-62.6-173.7-170.1-161.73.2108.8A77 F81A77-R79 PolarHBondContact O-N 3.26Å; R79-F81 PolarHBondContact O-N 2.91Å
80W48.6Very low79.1Confident244 Ų24481 Ų8192%0.92439%0.391SS*.SBendtrans-66.9-21.8-179.4-132.546.8000113.3
81F53.4Low78.9Confident169 Ų16978.6 Ų78.674%0.74138%0.383SS*.  trans-119.2113.9175.3-70.8-83.2000110.8R79R79-F81 PolarHBondContact O-N 2.91Å
82D63.9Low78.7Confident59 Ų5977.8 Ų77.832%0.31639%0.387SS..  trans-107.797.9175.2-83.4-3.7000109.8Y24 R90Y24-D82 WeakPolarHBondContact CE2-O 3.48Å; D82-R90 IonicContact OD1-CZ 3.67Å; D82-R90 VanDerWaalsContact OD1-CZ 3.23Å; D82-R90 IonicContact OD1-NH1 2.76Å; D82-R90 PolarHBondContact OD1-NH1 3.46Å; D82-R90 IonicContact OD1-NH2 2.93Å; D82-R90 PolarHBondContact OD1-NH2 2.94Å; D82-R90 IonicContact OD2-CZ 3.92Å; D82-R90 IonicContact OD2-NH1 2.88Å; D82-R90 PolarHBondContact OD2-NH1 3.36Å; D82-R90 IonicContact OD2-NH2 2.74Å
83G76.8Confident78.6Confident35 Ų3580.1 Ų80.136%0.36140%0.402SS..  trans-94.3170166.900000111.7R85 A86 A87G83-R85 VanDerWaalsContact C-N 3.29Å; G83-R85 PolarHBondContact O-N 3.47Å; G83-A86 WeakPolarHBondContact O-CA 3.42Å; G83-A86 WeakPolarHBondContact O-CB 3.44Å; G83-A86 PolarHBondContact O-N 2.75Å; G83-A87 PolarHBondContact O-N 3.03Å
84Q80.1Confident78.7Confident67 Ų6779.1 Ų79.131%0.31340%0.395SS..Hα-helixtrans-53.6-44.2178.2-179.6-179.6-19.300112.6F14 Y24 A86 A87 E88 Y139F14-Q84 HydrophobicContact CE2-CG 4.2Å; F14-Q84 HydrophobicContact CZ-CG 4.05Å; Y24-Q84 HydrophobicContact CE1-CB 3.93Å; Y24-Q84 HydrophobicContact CE1-CG 4.4Å; Y24-Q84 PolarHBondContact OH-N 3.48Å; Q84-A86 VanDerWaalsContact C-N 3.26Å; Q84-A86 PolarHBondContact O-N 3.03Å; Q84-A87 WeakPolarHBondContact O-CA 3.49Å; Q84-A87 WeakPolarHBondContact O-CB 3.33Å; Q84-A87 PolarHBondContact O-N 3.4Å; Q84-E88 WeakPolarHBondContact O-CB 3.41Å; Q84-E88 PolarHBondContact O-N 3.15Å; Q84-Y139 PolarHBondContact NE2-OH 3.41Å; Q84-Y139 VanDerWaalsContact NE2-OH 3.12Å; Q84-Y139 PolarHBondContact OE1-OH 3.11Å
85R79.7Confident78.9Confident194 Ų19475.3 Ų75.373%0.73238%0.381SS*.Hα-helixtrans-61.2-33.5176.5-167.8174-173.21712113.1G83 N89G83-R85 VanDerWaalsContact C-N 3.29Å; G83-R85 PolarHBondContact O-N 3.47Å; R85-N89 WeakPolarHBondContact O-CB 3.39Å; R85-N89 PolarHBondContact O-N 3.04Å; R85-N89 PolarHBondContact O-ND2 3.19Å
86A80.9Confident79Confident24 Ų2481.1 Ų81.120%0.19841%0.408CS..Hα-helixtrans-71.4-36.7174.200000111.1G83 Q84 R90G83-A86 WeakPolarHBondContact O-CA 3.42Å; G83-A86 WeakPolarHBondContact O-CB 3.44Å; G83-A86 PolarHBondContact O-N 2.75Å; Q84-A86 VanDerWaalsContact C-N 3.26Å; Q84-A86 PolarHBondContact O-N 3.03Å; A86-R90 WeakPolarHBondContact O-CD 3.45Å; A86-R90 VanDerWaalsContact O-CG 3.26Å; A86-R90 WeakPolarHBondContact O-CG 3.01Å; A86-R90 PolarHBondContact O-N 3.36Å
87A85.6Confident79.6Confident1 Ų178.2 Ų78.21%0.00839%0.389CS..Hα-helixtrans-64.2-45.1175.700000111.7F14 Y24 Y26 G83 Q84 R90F14-A87 HydrophobicContact CD1-CB 4.47Å; F14-A87 HydrophobicContact CD2-CB 3.88Å; F14-A87 HydrophobicContact CE1-CB 4.42Å; F14-A87 HydrophobicContact CE2-CB 3.81Å; F14-A87 HydrophobicContact CG-CB 4.21Å; F14-A87 HydrophobicContact CZ-CB 4.09Å; Y24-A87 HydrophobicContact CD1-CB 3.83Å; Y24-A87 HydrophobicContact CE1-CB 4.43Å; Y24-A87 HydrophobicContact CG-CB 3.88Å; Y26-A87 WeakPolarHBondContact CE1-O 3.37Å; Y26-A87 VanDerWaalsContact OH-CA 3.23Å; Y26-A87 WeakPolarHBondContact OH-CA 3.46Å; Y26-A87 PolarHBondContact OH-O 3.45Å; G83-A87 PolarHBondContact O-N 3.03Å; Q84-A87 WeakPolarHBondContact O-CA 3.49Å; Q84-A87 WeakPolarHBondContact O-CB 3.33Å; Q84-A87 PolarHBondContact O-N 3.4Å; A87-R90 PolarHBondContact O-N 2.91Å
88E85Confident80.5Confident104 Ų10475.5 Ų75.549%0.48637%0.366SS..Hα-helixtrans-61.7-52.1176.7-174.3177.9-167.500112.2F14 Q84 R90 Q91F14-E88 HydrophobicContact CE1-CB 3.98Å; F14-E88 HydrophobicContact CZ-CB 4.24Å; Q84-E88 WeakPolarHBondContact O-CB 3.41Å; Q84-E88 PolarHBondContact O-N 3.15Å; E88-R90 PolarHBondContact O-N 2.84Å; E88-Q91 WeakPolarHBondContact O-CB 3.42Å; E88-Q91 WeakPolarHBondContact O-CG 3.3Å; E88-Q91 PolarHBondContact O-N 2.95Å; E88-Q91 PolarHBondContact O-OE1 3.41Å
89N83.1Confident81.3Confident111 Ų11177.2 Ų77.259%0.59438%0.379SS*.Hα-helixtrans-58.1-26.3179.3-73.2-14.5000113.5R85R85-N89 WeakPolarHBondContact O-CB 3.39Å; R85-N89 PolarHBondContact O-N 3.04Å; R85-N89 PolarHBondContact O-ND2 3.19Å
90R87.6Confident82.5Confident22 Ų2269.8 Ų69.88%0.08336%0.356CS..Hα-helixtrans-80.6-16178.1-74.8167.6-179159.36.2113.3Y26 F44 D82 A86 A87 E88 G92 T93 L94Y26-R90 HydrophobicContact CE1-CB 4.41Å; Y26-R90 VanDerWaalsContact OH-CB 3.28Å; Y26-R90 WeakPolarHBondContact OH-CB 3.29Å; Y26-R90 VanDerWaalsContact OH-CD 3.23Å; Y26-R90 WeakPolarHBondContact OH-CD 3.46Å; F44-R90 HydrophobicContact CE2-CG 4.24Å; D82-R90 IonicContact OD1-CZ 3.67Å; D82-R90 VanDerWaalsContact OD1-CZ 3.23Å; D82-R90 IonicContact OD1-NH1 2.76Å; D82-R90 PolarHBondContact OD1-NH1 3.46Å; D82-R90 IonicContact OD1-NH2 2.93Å; D82-R90 PolarHBondContact OD1-NH2 2.94Å; D82-R90 IonicContact OD2-CZ 3.92Å; D82-R90 IonicContact OD2-NH1 2.88Å; D82-R90 PolarHBondContact OD2-NH1 3.36Å; D82-R90 IonicContact OD2-NH2 2.74Å; A86-R90 WeakPolarHBondContact O-CD 3.45Å; A86-R90 VanDerWaalsContact O-CG 3.26Å; A86-R90 WeakPolarHBondContact O-CG 3.01Å; A86-R90 PolarHBondContact O-N 3.36Å; A87-R90 PolarHBondContact O-N 2.91Å; E88-R90 PolarHBondContact O-N 2.84Å; R90-G92 VanDerWaalsContact C-N 3.32Å; R90-G92 PolarHBondContact O-N 3.05Å; R90-T93 PolarHBondContact O-N 3.36Å; R90-L94 WeakPolarHBondContact O-CB 3.47Å; R90-L94 WeakPolarHBondContact O-CG 3.3Å; R90-L94 PolarHBondContact O-N 2.97Å
91Q86.4Confident84.6Confident15 Ų1558.1 Ų58.17%0.0731%0.312CS..Hα-helixtrans-58.2-46.4-178.6-69177.1-79.900111L11 F14 Y26 E88 T93 L94 T95 L141L11-Q91 HydrophobicContact CD2-CB 3.8Å; L11-Q91 HydrophobicContact CD2-CG 4.08Å; L11-Q91 VanDerWaalsContact CD2-O 3.3Å; L11-Q91 WeakPolarHBondContact CD2-O 3.43Å; F14-Q91 VanDerWaalsContact CD1-CD 3.5Å; F14-Q91 HydrophobicContact CD1-CG 3.99Å; Y26-Q91 HydrophobicContact CE1-CG 4.22Å; E88-Q91 WeakPolarHBondContact O-CB 3.42Å; E88-Q91 WeakPolarHBondContact O-CG 3.3Å; E88-Q91 PolarHBondContact O-N 2.95Å; E88-Q91 PolarHBondContact O-OE1 3.41Å; Q91-T93 PolarHBondContact O-N 3.29Å; Q91-L94 PolarHBondContact O-N 3.46Å; Q91-T95 WeakPolarHBondContact O-CB 3.31Å; Q91-T95 PolarHBondContact O-N 3.27Å; Q91-T95 PolarHBondContact O-OG1 2.99Å; Q91-L141 HydrophobicContact CB-CD1 4.21Å; Q91-L141 HydrophobicContact CB-CD2 4.49Å; Q91-L141 HydrophobicContact CB-CG 4.33Å; Q91-L141 HydrophobicContact CG-CD1 4.26Å
92G85.7Confident86.5Confident49 Ų4952.1 Ų52.151%0.50529%0.286SS..Hα-helixtrans-58.4-48.6175.600000112.8R90 L94 T95 E96R90-G92 VanDerWaalsContact C-N 3.32Å; R90-G92 PolarHBondContact O-N 3.05Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 3.45Å; G92-T95 PolarHBondContact O-N 3.48Å; G92-E96 PolarHBondContact O-N 3.09Å; G92-E96 VanDerWaalsContact O-N 3.08Å
93T89Confident87.8Confident50 Ų5053.7 Ų53.731%0.30730%0.302SS..Hα-helixtrans-60.1-41.3177.2-51.50000112.3L75 P76 R90 Q91 Y97L75-T93 HydrophobicContact CD1-CG2 4.47Å; P76-T93 HydrophobicContact CG-CG2 4.3Å; R90-T93 PolarHBondContact O-N 3.36Å; Q91-T93 PolarHBondContact O-N 3.29Å; T93-Y97 WeakPolarHBondContact O-CB 3.37Å; T93-Y97 PolarHBondContact O-N 3.01Å
94L92.9Very high88.6Confident0 Ų052.7 Ų52.70%029%0.288CS..Hα-helixtrans-71.8-37.1-179.8-72.7176.6000112.5L11 Y26 F28 F44 I47 L75 R90 Q91 G92 Y97 C98L11-L94 HydrophobicContact CD2-CB 3.98Å; Y26-L94 HydrophobicContact CD1-CD1 3.43Å; Y26-L94 VanDerWaalsContact CD1-CD1 3.43Å; Y26-L94 HydrophobicContact CD2-CD1 3.78Å; Y26-L94 HydrophobicContact CE1-CD1 3.48Å; Y26-L94 VanDerWaalsContact CE1-CD1 3.48Å; Y26-L94 HydrophobicContact CE2-CD1 3.84Å; Y26-L94 HydrophobicContact CG-CD1 3.56Å; F28-L94 HydrophobicContact CZ-CD1 4.43Å; F44-L94 HydrophobicContact CD2-CD1 4.37Å; F44-L94 HydrophobicContact CD2-CD2 4.39Å; F44-L94 HydrophobicContact CE2-CD2 4.13Å; I47-L94 HydrophobicContact CD1-CD1 3.99Å; I47-L94 HydrophobicContact CD1-CD2 3.94Å; I47-L94 HydrophobicContact CG2-CD2 3.95Å; L75-L94 HydrophobicContact CD1-CD2 4.05Å; R90-L94 WeakPolarHBondContact O-CB 3.47Å; R90-L94 WeakPolarHBondContact O-CG 3.3Å; R90-L94 PolarHBondContact O-N 2.97Å; Q91-L94 PolarHBondContact O-N 3.46Å; G92-L94 VanDerWaalsContact C-N 3.33Å; G92-L94 PolarHBondContact O-N 3.45Å; L94-Y97 PolarHBondContact O-N 3.14Å; L94-C98 WeakPolarHBondContact O-CB 3.37Å; L94-C98 PolarHBondContact O-N 3.18Å; L94-C98 PolarHBondContact O-SG 3.45Å
95T91.4Very high89.3Confident56 Ų5652.7 Ų52.734%0.34429%0.294SS..Hα-helixtrans-59.6-50.6173.2-63.60000110.7Q91 G92 Y97 C98 S99Q91-T95 WeakPolarHBondContact O-CB 3.31Å; Q91-T95 PolarHBondContact O-N 3.27Å; Q91-T95 PolarHBondContact O-OG1 2.99Å; G92-T95 PolarHBondContact O-N 3.48Å; T95-Y97 PolarHBondContact O-N 2.99Å; T95-C98 PolarHBondContact O-N 3.34Å; T95-S99 WeakPolarHBondContact O-CB 3.14Å; T95-S99 PolarHBondContact O-N 2.65Å
96E90.4Very high89.9Confident137 Ų13747.5 Ų47.564%0.6428%0.284SS*.Hα-helixtrans-63.4-42177.8-174.3178.9-172.700111.9G92 S99 T100G92-E96 PolarHBondContact O-N 3.09Å; G92-E96 VanDerWaalsContact O-N 3.08Å; E96-S99 PolarHBondContact O-N 3.16Å; E96-T100 WeakPolarHBondContact O-CB 3.32Å; E96-T100 PolarHBondContact O-N 3.24Å; E96-T100 PolarHBondContact O-OG1 3.47Å
97Y93.9Very high90.5Very high4 Ų452.2 Ų52.22%0.01630%0.3CS..Hα-helixtrans-58.4-51.1176.8178.9-100000111.9I47 F50 H51 P73 L75 T93 L94 T95 T100 L101I47-Y97 HydrophobicContact CG2-CE1 4.34Å; F50-Y97 HydrophobicContact CE1-CE1 4.17Å; F50-Y97 WeakPolarHBondContact CE1-OH 3.46Å; H51-Y97 WeakPolarHBondContact CB-OH 3.41Å; H51-Y97 AromaticContact CE1-CE2 3.97Å; H51-Y97 AromaticContact ND1-CE2 3.45Å; H51-Y97 WeakPolarHBondContact ND1-CE2 3.23Å; H51-Y97 AromaticContact ND1-CZ 3.61Å; H51-Y97 PolarHBondContact ND1-OH 2.96Å; P73-Y97 HydrophobicContact CB-CD2 3.95Å; P73-Y97 HydrophobicContact CB-CE2 4.43Å; P73-Y97 HydrophobicContact CG-CD2 3.48Å; P73-Y97 VanDerWaalsContact CG-CD2 3.48Å; P73-Y97 HydrophobicContact CG-CE2 3.67Å; P73-Y97 HydrophobicContact CG-CG 4.35Å; L75-Y97 HydrophobicContact CB-CD2 4.26Å; L75-Y97 HydrophobicContact CB-CE2 4.06Å; L75-Y97 HydrophobicContact CD1-CD1 4.46Å; L75-Y97 HydrophobicContact CD1-CD2 3.96Å; L75-Y97 HydrophobicContact CD1-CE2 4.35Å; L75-Y97 HydrophobicContact CD1-CG 4.04Å; T93-Y97 WeakPolarHBondContact O-CB 3.37Å; T93-Y97 PolarHBondContact O-N 3.01Å; L94-Y97 PolarHBondContact O-N 3.14Å; T95-Y97 PolarHBondContact O-N 2.99Å; Y97-T100 PolarHBondContact O-N 2.66Å; Y97-L101 HydrophobicContact CD1-CD1 3.87Å; Y97-L101 HydrophobicContact CD1-CG 4.4Å; Y97-L101 HydrophobicContact CE1-CD1 3.28Å; Y97-L101 HydrophobicContact CE1-CG 4.07Å; Y97-L101 HydrophobicContact CE2-CD1 4.45Å; Y97-L101 HydrophobicContact CE2-CG 4.49Å; Y97-L101 WeakPolarHBondContact O-CG 3.41Å; Y97-L101 PolarHBondContact O-N 2.91Å
98C93.6Very high90.9Very high3 Ų352.1 Ų52.12%0.0230%0.3CS..Hα-helixtrans-64.1-42.4178.6-75.10000112.3I9 F28 L94 T95 T100 L101 M102I9-C98 HydrophobicContact CB-CB 4.33Å; I9-C98 HydrophobicContact CG2-CB 4.04Å; F28-C98 VanDerWaalsContact CE1-SG 3.59Å; L94-C98 WeakPolarHBondContact O-CB 3.37Å; L94-C98 PolarHBondContact O-N 3.18Å; L94-C98 PolarHBondContact O-SG 3.45Å; T95-C98 PolarHBondContact O-N 3.34Å; C98-T100 VanDerWaalsContact C-N 3.32Å; C98-T100 PolarHBondContact O-N 3.12Å; C98-L101 PolarHBondContact O-N 2.7Å; C98-M102 WeakPolarHBondContact O-CG 3.24Å; C98-M102 PolarHBondContact O-N 3.27Å; C98-M102 VanDerWaalsContact O-N 3.12Å
99S91Very high91.3Very high81 Ų8147.6 Ų47.657%0.56628%0.279SS*.Hα-helixtrans-59.3-44.6176-178.60000111.5T95 E96 M102 S103T95-S99 WeakPolarHBondContact O-CB 3.14Å; T95-S99 PolarHBondContact O-N 2.65Å; E96-S99 PolarHBondContact O-N 3.16Å; S99-M102 PolarHBondContact O-N 3.36Å; S99-S103 PolarHBondContact O-N 3.05Å
100T93Very high91.8Very high40 Ų4047.6 Ų47.625%0.24527%0.271CS..Hα-helixtrans-68.1-40.9179-52.50000111.5P73 E96 Y97 C98 M102 S103 L104P73-T100 HydrophobicContact CB-CG2 4.02Å; P73-T100 HydrophobicContact CG-CG2 3.97Å; E96-T100 WeakPolarHBondContact O-CB 3.32Å; E96-T100 PolarHBondContact O-N 3.24Å; E96-T100 PolarHBondContact O-OG1 3.47Å; Y97-T100 PolarHBondContact O-N 2.66Å; C98-T100 VanDerWaalsContact C-N 3.32Å; C98-T100 PolarHBondContact O-N 3.12Å; T100-M102 PolarHBondContact O-N 2.97Å; T100-S103 PolarHBondContact O-N 3.13Å; T100-S103 VanDerWaalsContact O-N 3.09Å; T100-S103 PolarHBondContact O-OG 3.41Å; T100-L104 WeakPolarHBondContact O-CG 3.41Å; T100-L104 PolarHBondContact O-N 3Å
101L93.3Very high92.1Very high0 Ų046.8 Ų46.80%027%0.269CS..Hα-helixtrans-58.3-38.3175.6-77.8-177.4000112.6F50 L54 P73 Y97 C98 S103 L104 S109F50-L101 HydrophobicContact CE1-CD1 3.86Å; F50-L101 HydrophobicContact CZ-CD1 4.21Å; L54-L101 HydrophobicContact CD2-CD2 3.62Å; P73-L101 HydrophobicContact CG-CD2 4.32Å; P73-L101 HydrophobicContact CG-CG 4.42Å; Y97-L101 HydrophobicContact CD1-CD1 3.87Å; Y97-L101 HydrophobicContact CD1-CG 4.4Å; Y97-L101 HydrophobicContact CE1-CD1 3.28Å; Y97-L101 HydrophobicContact CE1-CG 4.07Å; Y97-L101 HydrophobicContact CE2-CD1 4.45Å; Y97-L101 HydrophobicContact CE2-CG 4.49Å; Y97-L101 WeakPolarHBondContact O-CG 3.41Å; Y97-L101 PolarHBondContact O-N 2.91Å; C98-L101 PolarHBondContact O-N 2.7Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.79Å; L101-L104 HydrophobicContact CD2-CD1 3.84Å; L101-L104 WeakPolarHBondContact O-CB 3.5Å; L101-L104 PolarHBondContact O-N 2.91Å; L101-S109 WeakPolarHBondContact O-CB 3.49Å
102M92.4Very high92.5Very high42 Ų4251 Ų5121%0.20730%0.297CS..Hα-helixtrans-73.4-21.3178.7-66.6-48.1-53.100113.3I6 I9 C98 S99 T100I6-M102 HydrophobicContact CB-CE 4.24Å; I6-M102 HydrophobicContact CG2-CE 4.08Å; I6-M102 HydrophobicContact CG2-SD 4.16Å; I6-M102 WeakPolarHBondContact O-CE 3.42Å; I9-M102 HydrophobicContact CB-CG 4.45Å; I9-M102 HydrophobicContact CD1-CG 4.26Å; I9-M102 HydrophobicContact CD1-SD 3.62Å; I9-M102 HydrophobicContact CG1-CG 4.2Å; I9-M102 HydrophobicContact CG1-SD 3.89Å; C98-M102 WeakPolarHBondContact O-CG 3.24Å; C98-M102 PolarHBondContact O-N 3.27Å; C98-M102 VanDerWaalsContact O-N 3.12Å; S99-M102 PolarHBondContact O-N 3.36Å; T100-M102 PolarHBondContact O-N 2.97Å
103S92.5Very high93Very high93 Ų9350.9 Ų50.965%0.6528%0.284SS*.Hα-helixtrans-87.2-6.9174.869.40000113.8S99 T100 L101S99-S103 PolarHBondContact O-N 3.05Å; T100-S103 PolarHBondContact O-N 3.13Å; T100-S103 VanDerWaalsContact O-N 3.09Å; T100-S103 PolarHBondContact O-OG 3.41Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 2.79Å
104L93.6Very high93.2Very high14 Ų1448.5 Ų48.57%0.07327%0.269CS..SBendtrans-68.5157.2176.7-68.8179.4000112.7T71 I72 T100 L101 I108 S109T71-L104 WeakPolarHBondContact O-CD2 3.28Å; I72-L104 HydrophobicContact CG1-CD1 4.07Å; T100-L104 WeakPolarHBondContact O-CG 3.41Å; T100-L104 PolarHBondContact O-N 3Å; L101-L104 HydrophobicContact CD2-CD1 3.84Å; L101-L104 WeakPolarHBondContact O-CB 3.5Å; L101-L104 PolarHBondContact O-N 2.91Å; L104-I108 HydrophobicContact CB-CB 4.16Å; L104-I108 HydrophobicContact CB-CG2 4.44Å; L104-I108 HydrophobicContact CD1-CB 4.31Å; L104-I108 HydrophobicContact CD1-CD1 4.28Å; L104-I108 HydrophobicContact CD1-CG2 3.75Å; L104-S109 WeakPolarHBondContact O-CB 3.5Å; L104-S109 PolarHBondContact O-OG 2.99Å
105P94.5Very high93.3Very high67 Ų6749.9 Ų49.944%0.43528%0.276SS..  trans-50.1148.2174.4-28.436000113K107 I108 S109P105-K107 HydrophobicContact CB-CG 4.16Å; P105-K107 PolarHBondContact O-N 2.79Å; P105-I108 WeakPolarHBondContact O-CA 3.19Å; P105-I108 PolarHBondContact O-N 2.73Å; P105-S109 PolarHBondContact O-N 3Å; P105-S109 PolarHBondContact O-OG 2.91Å
106T92.8Very high93.5Very high85 Ų8552.2 Ų52.252%0.52129%0.287SS..Hα-helixtrans-55.4-31.1-174.251.50000113.9I108 S109 R110T106-I108 PolarHBondContact O-N 3.23Å; T106-S109 WeakPolarHBondContact CA-OG 3.38Å; T106-R110 WeakPolarHBondContact O-CA 3.5Å; T106-R110 VanDerWaalsContact O-CB 3.27Å; T106-R110 WeakPolarHBondContact O-CB 3.49Å; T106-R110 PolarHBondContact O-N 2.99Å
107K93.3Very high93.7Very high122 Ų12246.3 Ų46.353%0.5326%0.259SS..Hα-helixtrans-58.8-26.4173.863.4173.6173.2173.40113.6F58 E61 P105 C111F58-K107 VanDerWaalsContact CZ-O 3.28Å; F58-K107 WeakPolarHBondContact CZ-O 3.12Å; E61-K107 WeakPolarHBondContact OE1-CE 3.44Å; E61-K107 IonicContact OE1-NZ 3.49Å; E61-K107 PolarHBondContact OE1-NZ 2.91Å; P105-K107 HydrophobicContact CB-CG 4.16Å; P105-K107 PolarHBondContact O-N 2.79Å; K107-C111 WeakPolarHBondContact O-CB 3.33Å
108I93.5Very high93.8Very high0 Ų046.2 Ų46.20%026%0.258CS..Hα-helixtrans-101.3-53.1176.8-49.6-176000110.2L54 F58 E61 I72 L104 P105 T106 R110 C111L54-I108 HydrophobicContact CD1-CG2 4.08Å; F58-I108 HydrophobicContact CB-CD1 4.46Å; F58-I108 HydrophobicContact CD1-CD1 4.38Å; F58-I108 HydrophobicContact CD1-CG1 3.97Å; F58-I108 HydrophobicContact CD2-CG1 4.23Å; F58-I108 HydrophobicContact CD2-CG2 4.11Å; F58-I108 HydrophobicContact CE1-CG1 4.01Å; F58-I108 HydrophobicContact CE2-CB 4.4Å; F58-I108 HydrophobicContact CE2-CG1 4.28Å; F58-I108 HydrophobicContact CE2-CG2 4.06Å; F58-I108 HydrophobicContact CG-CD1 4.23Å; F58-I108 HydrophobicContact CG-CG1 4.08Å; F58-I108 HydrophobicContact CZ-CB 4.48Å; F58-I108 HydrophobicContact CZ-CG1 4.17Å; E61-I108 HydrophobicContact CB-CD1 3.84Å; E61-I108 HydrophobicContact CG-CD1 3.84Å; I72-I108 HydrophobicContact CD1-CD1 4.33Å; I72-I108 HydrophobicContact CG1-CD1 4.24Å; L104-I108 HydrophobicContact CB-CB 4.16Å; L104-I108 HydrophobicContact CB-CG2 4.44Å; L104-I108 HydrophobicContact CD1-CB 4.31Å; L104-I108 HydrophobicContact CD1-CD1 4.28Å; L104-I108 HydrophobicContact CD1-CG2 3.75Å; P105-I108 WeakPolarHBondContact O-CA 3.19Å; P105-I108 PolarHBondContact O-N 2.73Å; T106-I108 PolarHBondContact O-N 3.23Å; I108-R110 PolarHBondContact O-N 2.77Å; I108-R110 VanDerWaalsContact O-N 3.11Å; I108-C111 WeakPolarHBondContact O-CB 3.31Å; I108-C111 PolarHBondContact O-N 3.13Å; I108-C111 VanDerWaalsContact O-N 3.08Å; I108-C111 PolarHBondContact O-SG 2.91Å
109S93.1Very high93.7Very high8 Ų852 Ų526%0.05628%0.283CS..Hα-helixtrans-66.4-16.1-174.954.90000113.8L101 L104 P105 T106L101-S109 WeakPolarHBondContact O-CB 3.49Å; L104-S109 WeakPolarHBondContact O-CB 3.5Å; L104-S109 PolarHBondContact O-OG 2.99Å; P105-S109 PolarHBondContact O-N 3Å; P105-S109 PolarHBondContact O-OG 2.91Å; T106-S109 WeakPolarHBondContact CA-OG 3.38Å
110R94Very high93.7Very high111 Ų11150.3 Ų50.342%0.41927%0.269SS..THydrogen-bonded Turntrans-119.516.5175-48.3-174.6179.6176.3-0.2113.1F5 T106 I108F5-R110 HydrophobicContact CB-CB 4.29Å; F5-R110 HydrophobicContact CB-CG 3.87Å; F5-R110 HydrophobicContact CG-CG 4.46Å; T106-R110 WeakPolarHBondContact O-CA 3.5Å; T106-R110 VanDerWaalsContact O-CB 3.27Å; T106-R110 WeakPolarHBondContact O-CB 3.49Å; T106-R110 PolarHBondContact O-N 2.99Å; I108-R110 PolarHBondContact O-N 2.77Å; I108-R110 VanDerWaalsContact O-N 3.11Å
111C94.8Very high93.5Very high6 Ų652.1 Ų52.14%0.04127%0.272CS..  trans-67.6148.3179.172.60000111.1F58 K107 I108 H113 L114 L115F58-C111 HydrophobicContact CE2-CB 4.19Å; F58-C111 HydrophobicContact CZ-CB 3.94Å; K107-C111 WeakPolarHBondContact O-CB 3.33Å; I108-C111 WeakPolarHBondContact O-CB 3.31Å; I108-C111 PolarHBondContact O-N 3.13Å; I108-C111 VanDerWaalsContact O-N 3.08Å; I108-C111 PolarHBondContact O-SG 2.91Å; C111-H113 PolarHBondContact O-N 3.18Å; C111-H113 VanDerWaalsContact O-N 3.15Å; C111-L114 PolarHBondContact O-N 3.36Å; C111-L114 VanDerWaalsContact O-N 3.09Å; C111-L115 WeakPolarHBondContact O-CG 3.42Å; C111-L115 PolarHBondContact O-N 3.15Å; C111-L115 VanDerWaalsContact O-N 3.15Å
112P94.4Very high93.1Very high102 Ų10257 Ų5766%0.66230%0.304SS*.Hα-helixtrans-55.3-35.7-178.3-28.335.6000114L114 L115 D116P112-L114 PolarHBondContact O-N 2.74Å; P112-L115 PolarHBondContact O-N 3.15Å; P112-D116 WeakPolarHBondContact O-CB 3.25Å; P112-D116 PolarHBondContact O-N 3.2Å
113H94.9Very high92.5Very high48 Ų4859.8 Ų59.822%0.22232%0.319CS..Hα-helixtrans-62.5-41.2178.9-174.960.3000112.7F50 T53 M57 C111 F117F50-H113 AromaticContact CD2-CD2 3.45Å; F50-H113 VanDerWaalsContact CD2-CD2 3.45Å; F50-H113 WeakPolarHBondContact CD2-CD2 3.48Å; F50-H113 AromaticContact CD2-CE1 3.95Å; F50-H113 AromaticContact CD2-NE2 3.22Å; F50-H113 WeakPolarHBondContact CD2-NE2 3.4Å; F50-H113 AromaticContact CE2-CD2 3.49Å; F50-H113 VanDerWaalsContact CE2-CD2 3.49Å; F50-H113 WeakPolarHBondContact CE2-CD2 3.38Å; F50-H113 AromaticContact CE2-NE2 3.78Å; F50-H113 PolarHBondContact O-NE2 3.09Å; T53-H113 WeakPolarHBondContact CB-NE2 3.41Å; M57-H113 HydrophobicContact CE-CB 4.06Å; M57-H113 HydrophobicContact SD-CB 3.64Å; C111-H113 PolarHBondContact O-N 3.18Å; C111-H113 VanDerWaalsContact O-N 3.15Å; H113-F117 WeakPolarHBondContact O-CB 3.49Å; H113-F117 PolarHBondContact O-N 3.18Å; H113-F117 VanDerWaalsContact O-N 3.1Å
114L94.8Very high92Very high0 Ų056.2 Ų56.20%029%0.293CS..Hα-helixtrans-68.5-45.2175.5-174.2154.3000111.1I6 F50 C111 P112 F117 F118I6-L114 HydrophobicContact CD1-CD2 3.81Å; F50-L114 HydrophobicContact CE2-CB 4.23Å; F50-L114 HydrophobicContact CZ-CB 4.3Å; F50-L114 HydrophobicContact CZ-CD1 4.5Å; F50-L114 HydrophobicContact CZ-CG 4.27Å; C111-L114 PolarHBondContact O-N 3.36Å; C111-L114 VanDerWaalsContact O-N 3.09Å; P112-L114 PolarHBondContact O-N 2.74Å; L114-F117 PolarHBondContact O-N 3.37Å; L114-F118 HydrophobicContact CD2-CD2 4.19Å; L114-F118 HydrophobicContact CG-CD2 4.32Å; L114-F118 HydrophobicContact CG-CE2 4.44Å; L114-F118 WeakPolarHBondContact O-CD2 3.22Å; L114-F118 PolarHBondContact O-N 3.48Å
115L94.6Very high91.1Very high28 Ų2861.5 Ų61.515%0.14732%0.32CS..Hα-helixtrans-63.2-44-179.7-59.7179.1000111.6T4 I6 W32 C111 P112 F118 K119T4-L115 VanDerWaalsContact O-CD1 3.24Å; T4-L115 WeakPolarHBondContact O-CD1 3.45Å; I6-L115 HydrophobicContact CB-CD2 4.48Å; I6-L115 HydrophobicContact CD1-CD2 4.1Å; I6-L115 HydrophobicContact CG1-CD2 3.84Å; W32-L115 HydrophobicContact CZ3-CD2 4.15Å; C111-L115 WeakPolarHBondContact O-CG 3.42Å; C111-L115 PolarHBondContact O-N 3.15Å; C111-L115 VanDerWaalsContact O-N 3.15Å; P112-L115 PolarHBondContact O-N 3.15Å; L115-F118 PolarHBondContact O-N 3.4Å; L115-K119 PolarHBondContact O-N 3.45Å; L115-K119 VanDerWaalsContact O-N 3.09Å
116D94.6Very high89.8Confident106 Ų10665.1 Ų65.157%0.56733%0.329SS*.Hα-helixtrans-66.9-39.4179-168.665.8000111.9P112 F118 K119P112-D116 WeakPolarHBondContact O-CB 3.25Å; P112-D116 PolarHBondContact O-N 3.2Å; D116-F118 VanDerWaalsContact C-N 3.29Å; D116-F118 PolarHBondContact O-N 3.07Å; D116-K119 WeakPolarHBondContact O-CB 3.29Å; D116-K119 PolarHBondContact O-N 2.95Å
117F95.8Very high88Confident12 Ų1268 Ų685%0.05334%0.341CS..Hα-helixtrans-58.3-40.6177.4-176.4-102000112.7R42 E46 I47 F50 H113 L114R42-F117 HydrophobicContact CB-CZ 4.04Å; R42-F117 HydrophobicContact CG-CE1 3.98Å; R42-F117 HydrophobicContact CG-CE2 4.49Å; R42-F117 HydrophobicContact CG-CZ 3.77Å; R42-F117 VanDerWaalsContact CZ-O 3.26Å; R42-F117 PolarHBondContact NE-O 3.4Å; R42-F117 PolarHBondContact NH2-O 2.85Å; E46-F117 HydrophobicContact CB-CE2 4.17Å; E46-F117 WeakPolarHBondContact O-CE2 3.49Å; I47-F117 HydrophobicContact CB-CZ 4.24Å; I47-F117 HydrophobicContact CG1-CE1 4.27Å; I47-F117 HydrophobicContact CG1-CZ 3.75Å; F50-F117 HydrophobicContact CB-CD2 3.57Å; F50-F117 HydrophobicContact CB-CE2 3.62Å; F50-F117 HydrophobicContact CB-CG 4.04Å; F50-F117 HydrophobicContact CB-CZ 4.13Å; F50-F117 HydrophobicContact CD1-CD1 4.25Å; F50-F117 HydrophobicContact CD1-CE1 4.35Å; F50-F117 HydrophobicContact CD1-CG 4.44Å; F50-F117 HydrophobicContact CD2-CB 3.67Å; F50-F117 HydrophobicContact CD2-CD1 4.2Å; F50-F117 HydrophobicContact CD2-CD2 4.01Å; F50-F117 AromaticContact CD2-CG 3.69Å; F50-F117 HydrophobicContact CD2-CG 3.69Å; F50-F117 HydrophobicContact CE2-CB 4.04Å; F50-F117 HydrophobicContact CE2-CG 4.33Å; F50-F117 HydrophobicContact CG-CB 4.29Å; F50-F117 HydrophobicContact CG-CD1 4.04Å; F50-F117 AromaticContact CG-CD2 3.86Å; F50-F117 HydrophobicContact CG-CD2 3.86Å; F50-F117 HydrophobicContact CG-CE1 4.36Å; F50-F117 HydrophobicContact CG-CE2 4.19Å; F50-F117 AromaticContact CG-CG 3.78Å; F50-F117 HydrophobicContact CG-CG 3.78Å; F50-F117 HydrophobicContact CG-CZ 4.43Å; H113-F117 WeakPolarHBondContact O-CB 3.49Å; H113-F117 PolarHBondContact O-N 3.18Å; H113-F117 VanDerWaalsContact O-N 3.1Å; L114-F117 PolarHBondContact O-N 3.37Å
118F94.8Very high86.2Confident2 Ų265.3 Ų65.31%0.00934%0.335CS..Hα-helixtrans-93.11.5-179.5-74.4-72.1000114.4I6 I9 F28 V30 V40 L114 L115 D116I6-F118 HydrophobicContact CD1-CB 3.48Å; I6-F118 VanDerWaalsContact CD1-CB 3.48Å; I6-F118 HydrophobicContact CD1-CD2 4.07Å; I6-F118 HydrophobicContact CD1-CG 4.05Å; I9-F118 HydrophobicContact CD1-CD1 4.17Å; I9-F118 HydrophobicContact CD1-CD2 3.62Å; I9-F118 HydrophobicContact CD1-CE1 4.03Å; I9-F118 HydrophobicContact CD1-CE2 3.45Å; I9-F118 VanDerWaalsContact CD1-CE2 3.45Å; I9-F118 HydrophobicContact CD1-CG 4Å; I9-F118 HydrophobicContact CD1-CZ 3.68Å; I9-F118 HydrophobicContact CG2-CD1 4.4Å; I9-F118 HydrophobicContact CG2-CE1 3.86Å; I9-F118 HydrophobicContact CG2-CZ 4.18Å; F28-F118 HydrophobicContact CB-CE1 4.3Å; F28-F118 HydrophobicContact CD1-CE1 4.23Å; F28-F118 HydrophobicContact CD2-CE1 4.4Å; F28-F118 HydrophobicContact CG-CE1 4.06Å; V30-F118 HydrophobicContact CG1-CB 4.24Å; V30-F118 HydrophobicContact CG2-CB 4.05Å; V30-F118 HydrophobicContact CG2-CD1 3.77Å; V30-F118 HydrophobicContact CG2-CG 4.26Å; V40-F118 HydrophobicContact CG2-CD1 4.18Å; L114-F118 HydrophobicContact CD2-CD2 4.19Å; L114-F118 HydrophobicContact CG-CD2 4.32Å; L114-F118 HydrophobicContact CG-CE2 4.44Å; L114-F118 WeakPolarHBondContact O-CD2 3.22Å; L114-F118 PolarHBondContact O-N 3.48Å; L115-F118 PolarHBondContact O-N 3.4Å; D116-F118 VanDerWaalsContact C-N 3.29Å; D116-F118 PolarHBondContact O-N 3.07Å
119K92.7Very high84Confident125 Ų12569.9 Ų69.954%0.54336%0.364SS..SBendtrans-64.8142.6174.9-165175-179.2179.80111.2R42 L115 D116 R121R42-K119 PolarHBondContact NH2-O 3.5Å; L115-K119 PolarHBondContact O-N 3.45Å; L115-K119 VanDerWaalsContact O-N 3.09Å; D116-K119 WeakPolarHBondContact O-CB 3.29Å; D116-K119 PolarHBondContact O-N 2.95Å; K119-R121 PolarHBondContact O-N 3.32Å
120V90.4Very high81.7Confident45 Ų4575.2 Ų75.227%0.27339%0.391SS..PPolyproline II helixtrans-61.6124.6177.1-177.40000109.9K38 V40 D124 L125K38-V120 HydrophobicContact CB-CG2 3.45Å; K38-V120 VanDerWaalsContact CB-CG2 3.45Å; K38-V120 HydrophobicContact CD-CG2 4.05Å; K38-V120 HydrophobicContact CG-CG2 3.55Å; V40-V120 HydrophobicContact CG1-CG2 4.09Å; V120-D124 HydrophobicContact CG1-CB 4.21Å; V120-L125 HydrophobicContact CG1-CD1 4.4Å; V120-L125 HydrophobicContact CG1-CD2 3.89Å; V120-L125 HydrophobicContact CG1-CG 4Å
121R89.9Confident79.5Confident79 Ų7977.1 Ų77.130%0.29841%0.41SS..PPolyproline II helixtrans-97.8155.2175.9-60.3176.1-178.7174.8-3.1110E46 K119 N123 D124E46-R121 IonicContact OE1-CZ 2.74Å; E46-R121 IonicContact OE1-NH1 3.34Å; E46-R121 PolarHBondContact OE1-NH1 3.29Å; K119-R121 PolarHBondContact O-N 3.32Å; R121-N123 PolarHBondContact O-N 3.44Å; R121-N123 VanDerWaalsContact O-N 3.08Å; R121-D124 WeakPolarHBondContact CB-OD2 3.11Å; R121-D124 PolarHBondContact N-OD2 3.25Å; R121-D124 VanDerWaalsContact O-CB 3.31Å; R121-D124 WeakPolarHBondContact O-CB 3.12Å; R121-D124 PolarHBondContact O-N 3.43Å
122P83.8Confident77.7Confident103 Ų10380.1 Ų80.167%0.66942%0.424SS*.G310 helixtrans-54.6-31.5175.9-27.635.3000114D124 L125P122-D124 VanDerWaalsContact C-N 3.32Å; P122-L125 PolarHBondContact O-N 2.97Å
123N79.6Confident75.8Confident100 Ų10082.4 Ų82.454%0.53544%0.436SS..G310 helixtrans-73.4-20.6176.8-74.65.6000113.6R121 L125 K126R121-N123 PolarHBondContact O-N 3.44Å; R121-N123 VanDerWaalsContact O-N 3.08Å; N123-L125 PolarHBondContact O-N 3.18Å; N123-K126 PolarHBondContact OD1-NZ 2.71Å
124D82.6Confident74.1Confident18 Ų1886.6 Ų86.610%0.09645%0.453CS..G310 helixtrans-72.9-21174.7-61.1-41.2000111.4Y41 R42 V120 R121 P122Y41-D124 HydrophobicContact CD2-CB 4.13Å; Y41-D124 PolarHBondContact N-OD1 3.06Å; R42-D124 IonicContact CZ-OD2 3.36Å; R42-D124 IonicContact NH1-OD1 3.67Å; R42-D124 PolarHBondContact NH1-OD1 3.02Å; R42-D124 VanDerWaalsContact NH1-OD1 3.15Å; R42-D124 IonicContact NH1-OD2 2.72Å; R42-D124 PolarHBondContact NH1-OD2 3.07Å; R42-D124 IonicContact NH2-OD2 2.94Å; V120-D124 HydrophobicContact CG1-CB 4.21Å; R121-D124 WeakPolarHBondContact CB-OD2 3.11Å; R121-D124 PolarHBondContact N-OD2 3.25Å; R121-D124 VanDerWaalsContact O-CB 3.31Å; R121-D124 WeakPolarHBondContact O-CB 3.12Å; R121-D124 PolarHBondContact O-N 3.43Å; P122-D124 VanDerWaalsContact C-N 3.32Å
125L74.3Confident72.9Confident124 Ų12492.5 Ų92.565%0.64948%0.479SS*.G310 helixtrans-91.2-8.9180-59.2175.3000113.3V120 P122 N123 L127V120-L125 HydrophobicContact CG1-CD1 4.4Å; V120-L125 HydrophobicContact CG1-CD2 3.89Å; V120-L125 HydrophobicContact CG1-CG 4Å; P122-L125 PolarHBondContact O-N 2.97Å; N123-L125 PolarHBondContact O-N 3.18Å; L125-L127 PolarHBondContact O-N 3.03Å
126K66.5Low72Confident144 Ų14492.4 Ų92.463%0.62648%0.48SS*.  trans-83.298.1-179.8-70.9177.9-177.3168.10109.5N123N123-K126 PolarHBondContact OD1-NZ 2.71Å
127L56.6Low71.2Confident146 Ų14690.6 Ų90.676%0.76447%0.468SS*.  trans-61141.9169.6-67.2168000110L125 T129L125-L127 PolarHBondContact O-N 3.03Å; L127-T129 PolarHBondContact O-N 2.88Å
128P55Low70.5Confident64 Ų6492.8 Ų92.842%0.41648%0.482SS..  trans-58.5106173-18.530.8000109P136P128-P136 HydrophobicContact CB-CG 3.82Å; P128-P136 HydrophobicContact CG-CG 3.7Å
129T46.2Very low69.8Low97 Ų9795.2 Ų95.260%0.59549%0.492SS*.  trans-68.1140.8-179.6-33.60000109.2L127 N131 Q132L127-T129 PolarHBondContact O-N 2.88Å; T129-N131 PolarHBondContact O-N 2.83Å; T129-Q132 PolarHBondContact O-N 2.88Å
130D45.7Very low69.2Low119 Ų11992.4 Ų92.464%0.63648%0.483SS*.THydrogen-bonded Turntrans-57.4-11.6-173.9-153.927.4000114.7Q132 K135D130-Q132 VanDerWaalsContact C-N 3.33Å; D130-Q132 PolarHBondContact O-N 2.88Å; D130-K135 VanDerWaalsContact OD1-CE 3.3Å; D130-K135 WeakPolarHBondContact OD1-CE 3.4Å; D130-K135 IonicContact OD1-NZ 3.53Å; D130-K135 PolarHBondContact OD1-NZ 3.36Å
131N47.6Very low68.5Low152 Ų15292.7 Ų92.781%0.81348%0.482SS*.THydrogen-bonded Turntrans-82.54-179.2-69.8-2.5000115T129T129-N131 PolarHBondContact O-N 2.83Å
132Q56.5Low67.1Low69 Ų6994.6 Ų94.632%0.32251%0.505SS..  trans-83.1131177.9-66-171.89.500111.8T129 D130 K134T129-Q132 PolarHBondContact O-N 2.88Å; D130-Q132 VanDerWaalsContact C-N 3.33Å; D130-Q132 PolarHBondContact O-N 2.88Å; Q132-K134 PolarHBondContact O-N 2.92Å; Q132-K134 VanDerWaalsContact O-N 3.08Å
133T55.1Low65.8Low150 Ų15096.9 Ų96.992%0.9250%0.504SS*.SBendtrans-59.5-21.4178.5-27.40000113.2
134K58.7Low64.3Low135 Ų13599 Ų9959%0.58752%0.515SS*.SBendtrans-141.2119.8171.4-67.1-172.5178.6-176.90109.8F18 Q132F18-K134 HydrophobicContact CB-CB 4.34Å; F18-K134 HydrophobicContact CD1-CD 4.19Å; F18-K134 HydrophobicContact CD2-CB 3.68Å; F18-K134 HydrophobicContact CE1-CD 4.35Å; F18-K134 HydrophobicContact CE2-CB 4.14Å; F18-K134 HydrophobicContact CG-CB 3.98Å; F18-K134 HydrophobicContact CG-CD 4.3Å; Q132-K134 PolarHBondContact O-N 2.92Å; Q132-K134 VanDerWaalsContact O-N 3.08Å
135K68.9Low62.5Low125 Ų125102.4 Ų102.454%0.54356%0.555SS.*PPolyproline II helixtrans-70.9147.7175.7-67.2-173.8176.8-174.90110.5F18 D130 E137F18-K135 WeakPolarHBondContact CE2-O 3.44Å; D130-K135 VanDerWaalsContact OD1-CE 3.3Å; D130-K135 WeakPolarHBondContact OD1-CE 3.4Å; D130-K135 IonicContact OD1-NZ 3.53Å; D130-K135 PolarHBondContact OD1-NZ 3.36Å; K135-E137 PolarHBondContact O-N 2.85Å
136P75.9Confident61Low25 Ų25104.9 Ų104.916%0.16256%0.561CS.*PPolyproline II helixtrans-57.9134.7172.8-24.535.4000111.6K16 R17 P128K16-P136 VanDerWaalsContact O-CA 3.3Å; K16-P136 WeakPolarHBondContact O-CA 3.4Å; R17-P136 HydrophobicContact CG-CB 4.18Å; R17-P136 HydrophobicContact CG-CG 4.37Å; P128-P136 HydrophobicContact CB-CG 3.82Å; P128-P136 HydrophobicContact CG-CG 3.7Å
137E79.6Confident59.8Low69 Ų69102.7 Ų102.732%0.32256%0.563SS.*EExtended strand (participates in β ladder)trans-88123.5173.5-64.6166.6-164.400108.4E15 K16 F18 K135 Y139E15-E137 CarbonylContact C-O 3.46Å; E15-E137 VanDerWaalsContact CA-O 3.28Å; E15-E137 WeakPolarHBondContact CA-O 3.33Å; K16-E137 HydrophobicContact CB-CB 4.25Å; K16-E137 WeakPolarHBondContact CD-OE2 3.3Å; K16-E137 PolarHBondContact N-O 3.31Å; K16-E137 IonicContact NZ-OE1 2.78Å; K16-E137 PolarHBondContact NZ-OE1 2.86Å; K16-E137 IonicContact NZ-OE2 3Å; K16-E137 PolarHBondContact NZ-OE2 3.13Å; K16-E137 PolarHBondContact O-N 3.1Å; F18-E137 HydrophobicContact CE2-CG 4.26Å; F18-E137 HydrophobicContact CZ-CG 4.35Å; F18-E137 WeakPolarHBondContact CZ-OE1 3.19Å; K135-E137 PolarHBondContact O-N 2.85Å; E137-Y139 HydrophobicContact CB-CD2 4.49Å; E137-Y139 HydrophobicContact CB-CE2 3.59Å; E137-Y139 PolarHBondContact OE2-OH 3.36Å
138T81Confident58.9Low57 Ų57100 Ų10035%0.3555%0.553SS.*EExtended strand (participates in β ladder)trans-103.6128.7-177.5-56.10000110.4E15 M27 L140E15-T138 HydrophobicContact CG-CG2 4.28Å; M27-T138 HydrophobicContact CE-CG2 4.36Å; M27-T138 HydrophobicContact SD-CG2 3.8Å; T138-L140 HydrophobicContact CG2-CD2 3.88Å; T138-L140 HydrophobicContact CG2-CG 4.33Å
139Y79.8Confident58.3Low53 Ų53100.9 Ų100.921%0.20857%0.565CS.*EExtended strand (participates in β ladder)trans-120.1105.9-178.9-61.9-86.5000109G13 F14 K16 Q84 E137G13-Y139 CarbonylContact C-O 3.58Å; G13-Y139 WeakPolarHBondContact CA-O 3.32Å; F14-Y139 AromaticContact CD2-CD2 3.86Å; F14-Y139 HydrophobicContact CD2-CD2 3.86Å; F14-Y139 HydrophobicContact CD2-CG 4.36Å; F14-Y139 VanDerWaalsContact CE1-CB 3.44Å; F14-Y139 HydrophobicContact CE1-CD2 4.44Å; F14-Y139 HydrophobicContact CE1-CG 4.02Å; F14-Y139 AromaticContact CE2-CD2 3.28Å; F14-Y139 HydrophobicContact CE2-CD2 3.28Å; F14-Y139 AromaticContact CE2-CE2 3.98Å; F14-Y139 HydrophobicContact CE2-CE2 3.98Å; F14-Y139 AromaticContact CE2-CG 3.68Å; F14-Y139 HydrophobicContact CE2-CG 3.68Å; F14-Y139 VanDerWaalsContact CZ-CB 3.46Å; F14-Y139 HydrophobicContact CZ-CD1 4.2Å; F14-Y139 AromaticContact CZ-CD2 3.63Å; F14-Y139 HydrophobicContact CZ-CD2 3.63Å; F14-Y139 HydrophobicContact CZ-CE2 4.44Å; F14-Y139 AromaticContact CZ-CG 3.48Å; F14-Y139 HydrophobicContact CZ-CG 3.48Å; F14-Y139 VanDerWaalsContact CZ-CG 3.48Å; F14-Y139 PolarHBondContact N-O 3.4Å; F14-Y139 PolarHBondContact O-N 2.81Å; K16-Y139 HydrophobicContact CB-CE2 4.07Å; Q84-Y139 PolarHBondContact NE2-OH 3.41Å; Q84-Y139 VanDerWaalsContact NE2-OH 3.12Å; Q84-Y139 PolarHBondContact OE1-OH 3.11Å; E137-Y139 HydrophobicContact CB-CD2 4.49Å; E137-Y139 HydrophobicContact CB-CE2 3.59Å; E137-Y139 PolarHBondContact OE2-OH 3.36Å
140L80.3Confident58.1Low67 Ų6798.5 Ų98.535%0.35156%0.556SS.*EExtended strand (participates in β ladder)trans-87.1153.5-177.4-60.5179.7000111.6L12 T138 I157L12-L140 WeakPolarHBondContact O-CA 3.37Å; T138-L140 HydrophobicContact CG2-CD2 3.88Å; T138-L140 HydrophobicContact CG2-CG 4.33Å; L140-I157 HydrophobicContact CD1-CG2 4.27Å; L140-I157 HydrophobicContact CD2-CD1 3.91Å; L140-I157 HydrophobicContact CD2-CG2 4.33Å
141L74.8Confident58.1Low51 Ų5196 Ų9627%0.26754%0.543SS..PPolyproline II helixtrans-66.7137.3169.1-86.987.3000109.5L11 L12 Q91 K143L11-L141 HydrophobicContact CB-CD1 4.39Å; L11-L141 HydrophobicContact CD2-CD1 3.8Å; L11-L141 HydrophobicContact CG-CD1 3.76Å; L12-L141 VanDerWaalsContact C-CD1 3.43Å; L12-L141 PolarHBondContact O-N 3.15Å; Q91-L141 HydrophobicContact CB-CD1 4.21Å; Q91-L141 HydrophobicContact CB-CD2 4.49Å; Q91-L141 HydrophobicContact CB-CG 4.33Å; Q91-L141 HydrophobicContact CG-CD1 4.26Å; L141-K143 PolarHBondContact O-N 3.25Å
142P61Low58Low118 Ų11895 Ų9577%0.76654%0.536SS*.PPolyproline II helixtrans-55124.2168.8-21.631.8000109.5D144P142-D144 PolarHBondContact O-N 2.54Å
143K56.9Low57.2Low151 Ų15195.4 Ų95.466%0.65754%0.543SS*.  trans-82113.3178.7-156.4176.1-175.2179.10107.8L141 G145L141-K143 PolarHBondContact O-N 3.25Å; K143-G145 PolarHBondContact O-N 2.79Å
144D47.1Very low56.6Low144 Ų14489 Ų8977%0.7751%0.507SS*.  trans-59.3125.1166.3-69.1-41.4000107.3P142 K146P142-D144 PolarHBondContact O-N 2.54Å; D144-K146 PolarHBondContact O-N 2.61Å
145G45.1Very low55.8Low90 Ų9084.8 Ų84.893%0.92849%0.493SS*.SBendtrans-61.818.3-170.300000117.1K143K143-G145 PolarHBondContact O-N 2.79Å
146K42.1Very low55Low177 Ų17785.2 Ų85.277%0.7750%0.5SS*.  trans-95.889.7171.2-72.6179.8179.3173.50109.8D144 T148D144-K146 PolarHBondContact O-N 2.61Å; K146-T148 PolarHBondContact O-N 3.36Å; K146-T148 VanDerWaalsContact O-N 3.13Å; K146-T148 PolarHBondContact O-OG1 3.22Å
147S41.2Very low54.2Low98 Ų9886.9 Ų86.969%0.68551%0.507SS*.  trans-58.7112.3169.2-177.70000110.1D151S147-D151 WeakPolarHBondContact CA-OD2 3.38Å
148T38.9Very low53.8Low90 Ų9085 Ų8555%0.55250%0.499SS*.  trans-101.1151.3174.5-43.90000108.5K146 A150 D151K146-T148 PolarHBondContact O-N 3.36Å; K146-T148 VanDerWaalsContact O-N 3.13Å; K146-T148 PolarHBondContact O-OG1 3.22Å; T148-A150 PolarHBondContact O-N 2.83Å; T148-D151 PolarHBondContact N-OD2 2.68Å; T148-D151 VanDerWaalsContact O-CB 3.25Å; T148-D151 WeakPolarHBondContact O-CB 3.39Å; T148-D151 PolarHBondContact O-N 2.96Å
149A41.4Very low53.4Low81 Ų8184.8 Ų84.867%0.66949%0.494SS*.G310 helixtrans-56.4-18.5-179.600000114.6D151A149-D151 VanDerWaalsContact C-N 3.3Å
150A43.6Very low53.4Low48 Ų4884.7 Ų84.740%0.39750%0.499SS..G310 helixtrans-72.4-17.8172.600000114.2K31 T148 T153K31-A150 PolarHBondContact NZ-O 3.33Å; T148-A150 PolarHBondContact O-N 2.83Å; A150-T153 PolarHBondContact O-OG1 2.65Å
151D43.9Very low53.7Low67 Ų6781.7 Ų81.736%0.35848%0.483SS..G310 helixtrans-80.2-15.9180-62.7-35000113.3S147 T148 A149 T153S147-D151 WeakPolarHBondContact CA-OD2 3.38Å; T148-D151 PolarHBondContact N-OD2 2.68Å; T148-D151 VanDerWaalsContact O-CB 3.25Å; T148-D151 WeakPolarHBondContact O-CB 3.39Å; T148-D151 PolarHBondContact O-N 2.96Å; A149-D151 VanDerWaalsContact C-N 3.3Å; D151-T153 VanDerWaalsContact C-N 3.3Å
152I46.4Very low54.3Low129 Ų12981.9 Ų81.966%0.66248%0.48SS*.SBendtrans-74.5-24.5-177-60.6173.7000111.6
153T40.3Very low55.9Low78 Ų7876.2 Ų76.248%0.47944%0.444SS..SBendtrans-106.2-9.2-168.934.40000114.4K31 E37 A150 D151K31-T153 PolarHBondContact NZ-OG1 2.7Å; E37-T153 WeakPolarHBondContact OE1-CB 3.39Å; E37-T153 PolarHBondContact OE1-OG1 3.31Å; E37-T153 VanDerWaalsContact OE1-OG1 3.08Å; A150-T153 PolarHBondContact O-OG1 2.65Å; D151-T153 VanDerWaalsContact C-N 3.3Å
154G41.5Very low57.6Low15 Ų1569.1 Ų69.116%0.15541%0.413CS..SBendtrans-65.4158174.600000113L29 E37 I156L29-G154 VanDerWaalsContact CD2-CA 3.46Å; E37-G154 WeakPolarHBondContact OE2-CA 3.49Å; E37-G154 PolarHBondContact OE2-N 2.95Å; G154-I156 PolarHBondContact O-N 2.74Å
155P41.4Very low59.9Low48 Ų4862.7 Ų62.731%0.31238%0.38SS..  trans-52117.6166.230.4-42.8000108.1L12 L29 V39 I157L12-P155 HydrophobicContact CD1-CG 3.58Å; L29-P155 HydrophobicContact CD1-CG 4.1Å; V39-P155 HydrophobicContact CG2-CB 3.59Å; V39-P155 HydrophobicContact CG2-CG 3.32Å; P155-I157 VanDerWaalsContact C-N 3.28Å; P155-I157 PolarHBondContact O-N 3.34Å
156I52.2Low62.3Low133 Ų13363.5 Ų63.568%0.68236%0.363SS*.  trans-72.396.1170.7-56.1176.7000105.5G154 L158G154-I156 PolarHBondContact O-N 2.74Å; I156-L158 HydrophobicContact CG2-CD2 3.41Å; I156-L158 VanDerWaalsContact CG2-CD2 3.41Å; I156-L158 HydrophobicContact CG2-CG 4.06Å; I156-L158 PolarHBondContact O-N 2.74Å
157I60.6Low64.8Low61 Ų6156 Ų5631%0.31333%0.33SS..  trans-77.2100.4168.5-59.3167.1000105.4L12 M27 L140 P155L12-I157 HydrophobicContact CB-CD1 4.29Å; L12-I157 HydrophobicContact CD1-CD1 3.72Å; M27-I157 HydrophobicContact CE-CD1 3.42Å; M27-I157 VanDerWaalsContact CE-CD1 3.42Å; M27-I157 HydrophobicContact CE-CG1 4.47Å; L140-I157 HydrophobicContact CD1-CG2 4.27Å; L140-I157 HydrophobicContact CD2-CD1 3.91Å; L140-I157 HydrophobicContact CD2-CG2 4.33Å; P155-I157 VanDerWaalsContact C-N 3.28Å; P155-I157 PolarHBondContact O-N 3.34Å
158L69.4Low67.3Low30 Ų3059.3 Ų59.316%0.15733%0.334CS..PPolyproline II helixtrans-71.5132.1179.3-59.5171.7000108.9I156 E184 V185 V186 Q197I156-L158 HydrophobicContact CG2-CD2 3.41Å; I156-L158 VanDerWaalsContact CG2-CD2 3.41Å; I156-L158 HydrophobicContact CG2-CG 4.06Å; I156-L158 PolarHBondContact O-N 2.74Å; L158-E184 HydrophobicContact CB-CB 3.71Å; L158-E184 HydrophobicContact CB-CG 4.24Å; L158-E184 HydrophobicContact CD1-CB 3.73Å; L158-E184 HydrophobicContact CD1-CG 4.46Å; L158-E184 HydrophobicContact CG-CB 4.36Å; L158-V185 WeakPolarHBondContact CD2-O 3.33Å; L158-V186 HydrophobicContact CD1-CG2 4.11Å; L158-V186 HydrophobicContact CD2-CB 4.2Å; L158-V186 HydrophobicContact CD2-CG1 4.48Å; L158-V186 HydrophobicContact CD2-CG2 4.02Å; L158-Q197 HydrophobicContact CD1-CG 4.13Å; L158-Q197 VanDerWaalsContact CD1-NE2 3.26Å
159Q72.6Confident69.8Low52 Ų5261.1 Ų61.124%0.24333%0.334CS..EExtended strand (participates in β ladder)trans-67.9137.8172.6-66.2176.9-000109.1Y161 V185 K188 E220Q159-Y161 HydrophobicContact CB-CD2 4.23Å; Q159-Y161 HydrophobicContact CB-CE2 3.66Å; Q159-Y161 PolarHBondContact OE1-OH 2.93Å; Q159-V185 PolarHBondContact O-N 3.11Å; Q159-K188 VanDerWaalsContact OE1-CE 3.29Å; Q159-E220 PolarHBondContact NE2-OE1 2.95Å
160T81.1Confident71.8Confident50 Ų5062.9 Ų62.931%0.30734%0.337SS..EExtended strand (participates in β ladder)trans-100.8128.1-177.5-52.60000110.2V182 V183 L213T160-V182 HydrophobicContact CG2-CG1 3.15Å; T160-V183 WeakPolarHBondContact CA-O 3.31Å; T160-L213 HydrophobicContact CG2-CD1 3.41Å; T160-L213 VanDerWaalsContact CG2-CD1 3.41Å; T160-L213 HydrophobicContact CG2-CG 4.2Å; T160-L213 PolarHBondContact O-N 2.87Å
161Y86.6Confident73.8Confident5 Ų562.5 Ų62.52%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-122.4158.3180-76.8-112.9000110.1Q159 V182 V183 V185 K188 W194 L210 E211 P212 E218Q159-Y161 HydrophobicContact CB-CD2 4.23Å; Q159-Y161 HydrophobicContact CB-CE2 3.66Å; Q159-Y161 PolarHBondContact OE1-OH 2.93Å; Y161-V182 CarbonylContact O-C 3.42Å; Y161-V182 WeakPolarHBondContact O-CA 3.1Å; Y161-V183 PolarHBondContact N-O 3Å; Y161-V183 PolarHBondContact O-N 2.86Å; Y161-V185 HydrophobicContact CD2-CB 4.37Å; Y161-V185 HydrophobicContact CD2-CG2 3.36Å; Y161-V185 HydrophobicContact CE2-CG2 3.88Å; Y161-V185 HydrophobicContact CG-CG2 3.92Å; Y161-K188 WeakPolarHBondContact OH-CE 3.35Å; Y161-K188 PolarHBondContact OH-NZ 3.49Å; Y161-W194 AromaticContact CD1-CZ3 3.92Å; Y161-W194 HydrophobicContact CD1-CZ3 3.92Å; Y161-W194 AromaticContact CE1-CH2 3.93Å; Y161-W194 HydrophobicContact CE1-CH2 3.93Å; Y161-W194 AromaticContact CE1-CZ3 3.55Å; Y161-W194 HydrophobicContact CE1-CZ3 3.55Å; Y161-W194 HydrophobicContact CE2-CZ3 4.26Å; Y161-W194 HydrophobicContact CG-CZ3 4.45Å; Y161-W194 AromaticContact CZ-CZ3 3.78Å; Y161-L210 HydrophobicContact CD1-CB 3.92Å; Y161-L210 HydrophobicContact CG-CB 4.37Å; Y161-E211 CarbonylContact C-O 3.56Å; Y161-E211 VanDerWaalsContact CA-O 3.26Å; Y161-E211 WeakPolarHBondContact CA-O 3.42Å; Y161-E211 WeakPolarHBondContact CB-O 3.24Å; Y161-E211 WeakPolarHBondContact CD1-O 3.37Å; Y161-P212 HydrophobicContact CD1-CB 4.35Å; Y161-P212 HydrophobicContact CD1-CG 4.2Å; Y161-P212 VanDerWaalsContact CD1-N 3.34Å; Y161-P212 HydrophobicContact CE1-CB 3.89Å; Y161-P212 HydrophobicContact CE1-CG 3.48Å; Y161-P212 VanDerWaalsContact CE1-CG 3.48Å; Y161-E218 PolarHBondContact OH-OE2 2.99Å; Y161-E218 VanDerWaalsContact OH-OE2 3.04Å
162R86.8Confident75.7Confident54 Ų5463.2 Ų63.220%0.20436%0.355CS..EExtended strand (participates in β ladder)trans-115.7139.1174.9-175.7175.8173.1-85.6-2.1111I164 D181 L210 E211 L213 H309 I311R162-I164 PolarHBondContact O-N 3.28Å; R162-D181 CarbonylContact C-O 3.51Å; R162-D181 VanDerWaalsContact CA-O 3.3Å; R162-D181 WeakPolarHBondContact CA-O 3.46Å; R162-L210 CarbonylContact O-C 3.55Å; R162-L210 WeakPolarHBondContact O-CA 3.4Å; R162-E211 HydrophobicContact CB-CG 4.3Å; R162-E211 PolarHBondContact N-O 3.08Å; R162-E211 IonicContact NH1-OE1 3.66Å; R162-E211 PolarHBondContact NH1-OE1 2.84Å; R162-E211 PolarHBondContact O-N 2.78Å; R162-L213 HydrophobicContact CB-CD2 3.75Å; R162-H309 PolarHBondContact NH1-O 2.83Å; R162-I311 VanDerWaalsContact CD-CG2 3.42Å; R162-I311 VanDerWaalsContact NH1-CG2 3.25Å
163A93.9Very high77.6Confident0 Ų059.6 Ų59.60%034%0.341CS..EExtended strand (participates in β ladder)trans-70.4126.2172.300000110.5L177 A178 G180 D181 F209A163-L177 HydrophobicContact CB-CB 4.18Å; A163-L177 HydrophobicContact CB-CD1 4.03Å; A163-A178 WeakPolarHBondContact CB-O 3.38Å; A163-G180 PolarHBondContact O-N 3.08Å; A163-D181 HydrophobicContact CB-CB 4.23Å; A163-D181 PolarHBondContact N-O 3.5Å; A163-F209 WeakPolarHBondContact CA-O 3.36Å
164I93.4Very high80Confident1 Ų156.4 Ų56.41%0.00532%0.321CS..SBendtrans-90.8-11.7177.454.3148.4000113.2R162 F209 E211 R302 I305 A308 H309R162-I164 PolarHBondContact O-N 3.28Å; I164-F209 WeakPolarHBondContact CG1-O 3.26Å; I164-F209 PolarHBondContact N-O 2.64Å; I164-E211 HydrophobicContact CG2-CB 3.86Å; I164-E211 HydrophobicContact CG2-CG 3.57Å; I164-E211 WeakPolarHBondContact CG2-OE2 3.37Å; I164-R302 HydrophobicContact CD1-CG 4.34Å; I164-I305 HydrophobicContact CD1-CD1 3.77Å; I164-I305 HydrophobicContact CG1-CD1 4.43Å; I164-A308 HydrophobicContact CD1-CB 3.79Å; I164-A308 WeakPolarHBondContact O-CA 3.43Å; I164-H309 PolarHBondContact O-N 3.04Å
165A95.8Very high82.4Confident9 Ų956 Ų567%0.07432%0.315CS..SBendtrans-158.1164.3178.400000110.2F209 I305A165-F209 HydrophobicContact CB-CD1 4.04Å; A165-F209 HydrophobicContact CB-CE1 4.09Å; A165-I305 HydrophobicContact CB-CG2 3.44Å; A165-I305 VanDerWaalsContact CB-CG2 3.44Å
166D95.8Very high84.9Confident108 Ų10856 Ų5658%0.57832%0.319SS*.  trans-68.4135.6173.6-59.8-29.9000110.4L177 A178 M179 F209D166-L177 CarbonylContact C-O 3.5Å; D166-L177 WeakPolarHBondContact CA-O 3.2Å; D166-A178 WeakPolarHBondContact OD1-CA 3.26Å; D166-M179 WeakPolarHBondContact OD1-CB 3.2Å; D166-M179 PolarHBondContact OD1-N 2.97Å; D166-F209 VanDerWaalsContact O-CE1 3.26Å; D166-F209 WeakPolarHBondContact O-CE1 3.45Å
167Y94.9Very high86.8Confident19 Ų1950.1 Ų50.18%0.07529%0.289CS..BIsolated β-bridgetrans-125.9119.3174.6176.4-110.1000110.3E174 M175 A176 L177 W193 P206 F209 P300Y167-E174 HydrophobicContact CE1-CB 4.5Å; Y167-E174 PolarHBondContact OH-OE2 2.91Å; Y167-M175 WeakPolarHBondContact CD1-O 3.15Å; Y167-A176 CarbonylContact O-C 3.52Å; Y167-A176 WeakPolarHBondContact O-CA 3.37Å; Y167-A176 WeakPolarHBondContact O-CB 3.44Å; Y167-L177 PolarHBondContact N-O 3.28Å; Y167-L177 PolarHBondContact O-N 3.06Å; Y167-W193 HydrophobicContact CE1-CZ3 4.42Å; Y167-W193 WeakPolarHBondContact OH-CH2 3.47Å; Y167-W193 WeakPolarHBondContact OH-CZ3 3.4Å; Y167-P206 HydrophobicContact CD1-CG 4.44Å; Y167-P206 HydrophobicContact CD2-CG 3.91Å; Y167-P206 HydrophobicContact CE1-CG 4.14Å; Y167-P206 HydrophobicContact CE2-CG 3.59Å; Y167-P206 HydrophobicContact CG-CG 4.34Å; Y167-F209 HydrophobicContact CD2-CD1 4.45Å; Y167-F209 HydrophobicContact CD2-CE1 4.26Å; Y167-F209 HydrophobicContact CD2-CZ 4.36Å; Y167-F209 HydrophobicContact CG-CD1 4.48Å; Y167-P300 HydrophobicContact CE2-CG 4.47Å
168E93.8Very high88.4Confident167 Ų16749.4 Ų49.478%0.7829%0.292SS*.  trans-89.5129.7173.1-63.8-166.3157.600110.6
169K89.8Confident89.5Confident128 Ų12852 Ų5256%0.55730%0.304SS*.  trans-68.2136177.162.9177.3-176.1173.80110.7E174 A176K169-E174 HydrophobicContact CB-CB 3.73Å; K169-A176 HydrophobicContact CB-CB 4.48Å; K169-A176 HydrophobicContact CG-CB 4.39Å
170T85.1Confident90.2Very high119 Ų11950.7 Ų50.773%0.7331%0.305SS*.SBendtrans-100.1-20175.466.90000112.4E174T170-E174 WeakPolarHBondContact CA-OE2 3.49Å; T170-E174 WeakPolarHBondContact CB-OE2 3.35Å; T170-E174 PolarHBondContact N-OE2 3.38Å; T170-E174 VanDerWaalsContact OG1-CD 3.32Å; T170-E174 PolarHBondContact OG1-OE1 2.87Å; T170-E174 PolarHBondContact OG1-OE2 3.25Å
171S84.4Confident90.6Very high39 Ų3950.5 Ų50.527%0.27330%0.302SS..SBendtrans-131.3162.1177.177.90000113S173 E174S171-S173 PolarHBondContact O-N 3.39Å; S171-S173 PolarHBondContact OG-N 3Å; S171-S173 PolarHBondContact OG-OG 2.88Å; S171-E174 WeakPolarHBondContact CB-OE1 3.44Å; S171-E174 PolarHBondContact N-OE2 2.83Å; S171-E174 VanDerWaalsContact N-OE2 3.16Å; S171-E174 PolarHBondContact O-N 3.09Å; S171-E174 PolarHBondContact OG-OE1 3.02Å
172G83.2Confident90.7Very high83 Ų8353.6 Ų53.686%0.85632%0.321SS*.THydrogen-bonded Turntrans-65.5-13.9175.300000114.4
173S86.4Confident90.8Very high53 Ų5351.1 Ų51.137%0.37131%0.312SS..THydrogen-bonded Turntrans-90.3-11.4177.376.10000113.6S171 W204 R296S171-S173 PolarHBondContact O-N 3.39Å; S171-S173 PolarHBondContact OG-N 3Å; S171-S173 PolarHBondContact OG-OG 2.88Å; S173-W204 PolarHBondContact O-N 3.21Å; S173-R296 PolarHBondContact OG-NH2 3.25Å
174E90.5Very high90.3Very high10 Ų1055 Ų555%0.04733%0.33CS..BIsolated β-bridgetrans-92.5151.3-179.7-75.8150.8-134.800111.5Y167 K169 T170 S171 W193 W204 R296Y167-E174 HydrophobicContact CE1-CB 4.5Å; Y167-E174 PolarHBondContact OH-OE2 2.91Å; K169-E174 HydrophobicContact CB-CB 3.73Å; T170-E174 WeakPolarHBondContact CA-OE2 3.49Å; T170-E174 WeakPolarHBondContact CB-OE2 3.35Å; T170-E174 PolarHBondContact N-OE2 3.38Å; T170-E174 VanDerWaalsContact OG1-CD 3.32Å; T170-E174 PolarHBondContact OG1-OE1 2.87Å; T170-E174 PolarHBondContact OG1-OE2 3.25Å; S171-E174 WeakPolarHBondContact CB-OE1 3.44Å; S171-E174 PolarHBondContact N-OE2 2.83Å; S171-E174 VanDerWaalsContact N-OE2 3.16Å; S171-E174 PolarHBondContact O-N 3.09Å; S171-E174 PolarHBondContact OG-OE1 3.02Å; E174-W193 HydrophobicContact CG-CH2 4.28Å; E174-W193 HydrophobicContact CG-CZ3 3.83Å; E174-W204 VanDerWaalsContact CA-O 3.28Å; E174-W204 WeakPolarHBondContact CA-O 3.04Å; E174-W204 HydrophobicContact CG-CB 4.5Å; E174-R296 IonicContact OE1-NH1 3.92Å
175M92.5Very high89.9Confident8 Ų855.3 Ų55.34%0.03933%0.332CS..  trans-108.7125.6174.8-176.81636900109.2Y167 V183 C196 M198 K201 W204 I205Y167-M175 WeakPolarHBondContact CD1-O 3.15Å; M175-V183 HydrophobicContact CE-CG1 4.49Å; M175-C196 HydrophobicContact CE-CB 4.21Å; M175-M198 HydrophobicContact CE-CB 4.02Å; M175-M198 HydrophobicContact SD-CB 4.23Å; M175-K201 HydrophobicContact SD-CB 3.6Å; M175-K201 VanDerWaalsContact SD-CB 3.6Å; M175-W204 PolarHBondContact N-O 3.27Å; M175-W204 VanDerWaalsContact N-O 3.07Å; M175-I205 HydrophobicContact CB-CD1 4.06Å; M175-I205 HydrophobicContact CB-CG1 4.15Å; M175-I205 HydrophobicContact CE-CD1 3.38Å; M175-I205 HydrophobicContact CG-CD1 4.34Å; M175-I205 WeakPolarHBondContact O-CG1 3.11Å
176A93.3Very high89.2Confident47 Ų4757.8 Ų57.839%0.38835%0.346SS..  trans-69.1148.517300000110.5Y167 K169Y167-A176 CarbonylContact O-C 3.52Å; Y167-A176 WeakPolarHBondContact O-CA 3.37Å; Y167-A176 WeakPolarHBondContact O-CB 3.44Å; K169-A176 HydrophobicContact CB-CB 4.48Å; K169-A176 HydrophobicContact CG-CB 4.39Å
177L93.2Very high88.5Confident9 Ų957.6 Ų57.65%0.04734%0.342CS..BIsolated β-bridgetrans-124.7141.3176-67.7174000110.6A163 D166 Y167 D181 V183 I205 L210A163-L177 HydrophobicContact CB-CB 4.18Å; A163-L177 HydrophobicContact CB-CD1 4.03Å; D166-L177 CarbonylContact C-O 3.5Å; D166-L177 WeakPolarHBondContact CA-O 3.2Å; Y167-L177 PolarHBondContact N-O 3.28Å; Y167-L177 PolarHBondContact O-N 3.06Å; L177-D181 HydrophobicContact CD2-CB 4.28Å; L177-V183 HydrophobicContact CD2-CG1 3.67Å; L177-I205 HydrophobicContact CD1-CB 4.37Å; L177-I205 HydrophobicContact CD1-CD1 3.85Å; L177-I205 HydrophobicContact CD1-CG1 3.98Å; L177-I205 HydrophobicContact CD1-CG2 3.44Å; L177-I205 VanDerWaalsContact CD1-CG2 3.44Å; L177-I205 HydrophobicContact CD2-CD1 3.6Å; L177-I205 HydrophobicContact CD2-CG1 4.45Å; L177-I205 HydrophobicContact CG-CD1 3.75Å; L177-I205 HydrophobicContact CG-CG1 4.05Å; L177-I205 HydrophobicContact CG-CG2 4.41Å; L177-L210 HydrophobicContact CD1-CD2 3.86Å
178A93.9Very high88Confident46 Ų4658.7 Ų58.738%0.3835%0.347SS..  trans-95.2146.1158.100000109.5A163 D166 G180 D181A163-A178 WeakPolarHBondContact CB-O 3.38Å; D166-A178 WeakPolarHBondContact OD1-CA 3.26Å; A178-G180 PolarHBondContact O-N 2.76Å; A178-D181 PolarHBondContact N-OD2 2.85Å; A178-D181 WeakPolarHBondContact O-CB 3.26Å; A178-D181 VanDerWaalsContact O-CG 3.28Å; A178-D181 PolarHBondContact O-N 3.06Å
179M93.3Very high87.5Confident84 Ų8452.1 Ų52.141%0.41432%0.32SS..THydrogen-bonded Turntrans-53.1129.5172.7177.3-17560.800110.3D166 D181 H309D166-M179 WeakPolarHBondContact OD1-CB 3.2Å; D166-M179 PolarHBondContact OD1-N 2.97Å; M179-D181 VanDerWaalsContact C-N 3.33Å; M179-H309 HydrophobicContact CG-CB 4.25Å; M179-H309 HydrophobicContact SD-CB 3.58Å; M179-H309 VanDerWaalsContact SD-CB 3.58Å; M179-H309 PolarHBondContact SD-CD2 2.8Å
180G87.4Confident87.2Confident25 Ų2550.7 Ų50.726%0.25832%0.315SS..THydrogen-bonded Turntrans87.9-7-17700000115.2A163 A178A163-G180 PolarHBondContact O-N 3.08Å; A178-G180 PolarHBondContact O-N 2.76Å
181D89.6Confident87.3Confident47 Ų4746.3 Ų46.325%0.25129%0.289SS..  trans-57.6142171.6-81.2-17.3000110.9R162 A163 L177 A178 M179 M198R162-D181 CarbonylContact C-O 3.51Å; R162-D181 VanDerWaalsContact CA-O 3.3Å; R162-D181 WeakPolarHBondContact CA-O 3.46Å; A163-D181 HydrophobicContact CB-CB 4.23Å; A163-D181 PolarHBondContact N-O 3.5Å; L177-D181 HydrophobicContact CD2-CB 4.28Å; A178-D181 PolarHBondContact N-OD2 2.85Å; A178-D181 WeakPolarHBondContact O-CB 3.26Å; A178-D181 VanDerWaalsContact O-CG 3.28Å; A178-D181 PolarHBondContact O-N 3.06Å; M179-D181 VanDerWaalsContact C-N 3.33Å; D181-M198 HydrophobicContact CB-SD 3.88Å
182V88.2Confident87.6Confident70 Ų7044.5 Ų44.542%0.42428%0.276SS..EExtended strand (participates in β ladder)trans-107.4125.3178.1179.20000108.5T160 Y161 L213T160-V182 HydrophobicContact CG2-CG1 3.15Å; Y161-V182 CarbonylContact O-C 3.42Å; Y161-V182 WeakPolarHBondContact O-CA 3.1Å; V182-L213 HydrophobicContact CG1-CD1 4.35Å
183V87.8Confident88.1Confident1 Ų140.8 Ų40.81%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-124.6149-177.2-56.20000111.4T160 Y161 M175 L177 C196 M198 I205 L210T160-V183 WeakPolarHBondContact CA-O 3.31Å; Y161-V183 PolarHBondContact N-O 3Å; Y161-V183 PolarHBondContact O-N 2.86Å; M175-V183 HydrophobicContact CE-CG1 4.49Å; L177-V183 HydrophobicContact CD2-CG1 3.67Å; V183-C196 HydrophobicContact CB-CB 4.11Å; V183-C196 HydrophobicContact CG2-CB 4.13Å; V183-M198 HydrophobicContact CG1-CB 4.21Å; V183-M198 HydrophobicContact CG1-SD 4.46Å; V183-I205 HydrophobicContact CG1-CD1 4.49Å; V183-L210 HydrophobicContact CG2-CD1 3.99Å; V183-L210 HydrophobicContact CG2-CD2 3.7Å
184E84.7Confident88.4Confident81 Ų8138.6 Ų38.638%0.37922%0.22SC..EExtended strand (participates in β ladder)trans-98.8123.3171.5-69.1179.8151.100108.9L158 V186 C196 Q197L158-E184 HydrophobicContact CB-CB 3.71Å; L158-E184 HydrophobicContact CB-CG 4.24Å; L158-E184 HydrophobicContact CD1-CB 3.73Å; L158-E184 HydrophobicContact CD1-CG 4.46Å; L158-E184 HydrophobicContact CG-CB 4.36Å; E184-V186 PolarHBondContact O-N 2.86Å; E184-C196 CarbonylContact O-C 3.52Å; E184-C196 VanDerWaalsContact O-CA 3.26Å; E184-C196 WeakPolarHBondContact O-CA 3.4Å; E184-Q197 HydrophobicContact CB-CG 3.81Å; E184-Q197 PolarHBondContact N-O 3.31Å; E184-Q197 PolarHBondContact O-N 3.37Å; E184-Q197 PolarHBondContact OE2-NE2 3.11Å
185V83.6Confident88.2Confident9 Ų940.7 Ų40.76%0.05523%0.229CC..EExtended strand (participates in β ladder)trans-84116.3-179.4-178.20000109.3L158 Q159 Y161 K188 W194L158-V185 WeakPolarHBondContact CD2-O 3.33Å; Q159-V185 PolarHBondContact O-N 3.11Å; Y161-V185 HydrophobicContact CD2-CB 4.37Å; Y161-V185 HydrophobicContact CD2-CG2 3.36Å; Y161-V185 HydrophobicContact CE2-CG2 3.88Å; Y161-V185 HydrophobicContact CG-CG2 3.92Å; V185-K188 HydrophobicContact CG1-CG 3.62Å; V185-W194 HydrophobicContact CG1-CB 4.32Å; V185-W194 HydrophobicContact CG1-CD2 4.34Å; V185-W194 HydrophobicContact CG1-CE3 3.86Å; V185-W194 HydrophobicContact CG2-CE3 3.86Å; V185-W194 HydrophobicContact CG2-CZ3 4.22Å
186V81.9Confident88.1Confident61 Ų6140.3 Ų40.337%0.3723%0.227SC..EExtended strand (participates in β ladder)trans-89.4-41.2-179.6-176.60000111.3L158 E184 F195 Q197L158-V186 HydrophobicContact CD1-CG2 4.11Å; L158-V186 HydrophobicContact CD2-CB 4.2Å; L158-V186 HydrophobicContact CD2-CG1 4.48Å; L158-V186 HydrophobicContact CD2-CG2 4.02Å; E184-V186 PolarHBondContact O-N 2.86Å; V186-F195 WeakPolarHBondContact CA-O 3.26Å; V186-F195 HydrophobicContact CB-CD1 3.94Å; V186-F195 WeakPolarHBondContact CB-O 3.31Å; V186-F195 HydrophobicContact CG1-CD1 4.12Å; V186-F195 HydrophobicContact CG2-CD1 4.43Å; V186-F195 PolarHBondContact N-O 3.34Å; V186-Q197 HydrophobicContact CG2-CB 4.23Å; V186-Q197 HydrophobicContact CG2-CG 3.91Å
187E81.6Confident87.8Confident103 Ų10339.9 Ų39.948%0.48122%0.217SC..EExtended strand (participates in β ladder)trans-143.2121.2179.5-170.8-175.1139.700109.6W194 F195E187-W194 CarbonylContact O-C 3.58Å; E187-W194 VanDerWaalsContact O-CA 3.31Å; E187-W194 WeakPolarHBondContact O-CA 3.38Å; E187-W194 WeakPolarHBondContact O-CB 3.48Å; E187-F195 HydrophobicContact CB-CB 3.99Å; E187-F195 PolarHBondContact N-O 2.96Å; E187-F195 VanDerWaalsContact N-O 3.11Å; E187-F195 PolarHBondContact O-N 2.88Å
188K83.6Confident87.3Confident43 Ų4341.1 Ų41.119%0.18722%0.223CC..  trans-88.6143.7166-66.4-168.7-174.21650109.5Q159 Y161 V185 W194 E218 E220 L260Q159-K188 VanDerWaalsContact OE1-CE 3.29Å; Y161-K188 WeakPolarHBondContact OH-CE 3.35Å; Y161-K188 PolarHBondContact OH-NZ 3.49Å; V185-K188 HydrophobicContact CG1-CG 3.62Å; K188-W194 HydrophobicContact CB-CD2 4.25Å; K188-W194 HydrophobicContact CB-CG 4.36Å; K188-W194 HydrophobicContact CB-CZ2 4.49Å; K188-W194 HydrophobicContact CD-CD2 4.27Å; K188-W194 HydrophobicContact CD-CE3 4.36Å; K188-W194 HydrophobicContact CD-CH2 3.75Å; K188-W194 HydrophobicContact CD-CZ2 3.62Å; K188-W194 HydrophobicContact CD-CZ3 4.11Å; K188-W194 HydrophobicContact CG-CD2 3.72Å; K188-W194 HydrophobicContact CG-CE3 4Å; K188-W194 HydrophobicContact CG-CG 4.21Å; K188-W194 HydrophobicContact CG-CH2 4.26Å; K188-W194 HydrophobicContact CG-CZ2 3.98Å; K188-W194 HydrophobicContact CG-CZ3 4.26Å; K188-E218 IonicContact NZ-OE1 3.83Å; K188-E218 PolarHBondContact NZ-OE1 2.76Å; K188-E218 IonicContact NZ-OE2 3.26Å; K188-E220 VanDerWaalsContact CD-OE2 3.26Å; K188-E220 WeakPolarHBondContact CD-OE2 3.32Å; K188-E220 VanDerWaalsContact CE-OE2 3.31Å; K188-E220 WeakPolarHBondContact CE-OE2 3.24Å; K188-E220 IonicContact NZ-OE2 2.86Å; K188-E220 PolarHBondContact NZ-OE2 2.86Å; K188-L260 HydrophobicContact CD-CD1 4.04Å
189S82.9Confident86.6Confident29 Ų2949 Ų4920%0.20325%0.249CC..  trans-136141.1177.51740000109.9S191 G192 W193 W194S189-S191 PolarHBondContact O-N 3.05Å; S189-S191 VanDerWaalsContact O-N 3.13Å; S189-S191 WeakPolarHBondContact OG-CB 3.43Å; S189-S191 PolarHBondContact OG-N 2.89Å; S189-S191 VanDerWaalsContact OG-N 3.12Å; S189-S191 PolarHBondContact OG-OG 3.13Å; S189-G192 PolarHBondContact O-N 3.14Å; S189-W193 WeakPolarHBondContact CB-O 3.46Å; S189-W194 VanDerWaalsContact N-CD1 3.32Å; S189-W194 PolarHBondContact O-NE1 3Å
190E83.9Confident85.9Confident98 Ų9850 Ų5046%0.45827%0.27SS..THydrogen-bonded Turntrans-64.6-9.1171.763.5179.1-160.300113.2G192 G262 W264 S277E190-G192 PolarHBondContact O-N 2.72Å; E190-G262 WeakPolarHBondContact O-CA 3.32Å; E190-W264 HydrophobicContact CB-CZ2 3.96Å; E190-W264 VanDerWaalsContact CD-CZ2 3.49Å; E190-W264 HydrophobicContact CG-CZ2 3.96Å; E190-W264 WeakPolarHBondContact OE2-CZ2 3.33Å; E190-S277 PolarHBondContact O-OG 3.01Å
191S87.5Confident85.7Confident27 Ų2755.6 Ų55.619%0.18929%0.288CS..THydrogen-bonded Turntrans-72.7-7.2169.875.90000113.3S189 W193 S277 P299S189-S191 PolarHBondContact O-N 3.05Å; S189-S191 VanDerWaalsContact O-N 3.13Å; S189-S191 WeakPolarHBondContact OG-CB 3.43Å; S189-S191 PolarHBondContact OG-N 2.89Å; S189-S191 VanDerWaalsContact OG-N 3.12Å; S189-S191 PolarHBondContact OG-OG 3.13Å; S191-W193 PolarHBondContact O-N 3.04Å; S191-W193 PolarHBondContact OG-N 3.17Å; S191-S277 WeakPolarHBondContact CA-OG 3.36Å; S191-P299 WeakPolarHBondContact O-CD 3.18Å; S191-P299 WeakPolarHBondContact O-CG 3.38Å
192G90.4Very high85.6Confident0 Ų061.3 Ų61.30%031%0.306CS..SBendtrans74.65.5-176.400000115.4S189 E190 P206 A207 L260 D261 G262S189-G192 PolarHBondContact O-N 3.14Å; E190-G192 PolarHBondContact O-N 2.72Å; G192-P206 WeakPolarHBondContact O-CA 3.44Å; G192-A207 WeakPolarHBondContact O-CB 3.25Å; G192-A207 PolarHBondContact O-N 2.76Å; G192-L260 WeakPolarHBondContact CA-O 3.4Å; G192-D261 WeakPolarHBondContact CA-O 3.17Å; G192-G262 VanDerWaalsContact CA-N 3.33Å
193W93.1Very high85.6Confident6 Ų658.1 Ų58.12%0.02329%0.286CS..EExtended strand (participates in β ladder)trans-104.9117.3171.5-71.497.4000107.5Y167 E174 S189 S191 W204 I205 P206 R296 G297 P299Y167-W193 HydrophobicContact CE1-CZ3 4.42Å; Y167-W193 WeakPolarHBondContact OH-CH2 3.47Å; Y167-W193 WeakPolarHBondContact OH-CZ3 3.4Å; E174-W193 HydrophobicContact CG-CH2 4.28Å; E174-W193 HydrophobicContact CG-CZ3 3.83Å; S189-W193 WeakPolarHBondContact CB-O 3.46Å; S191-W193 PolarHBondContact O-N 3.04Å; S191-W193 PolarHBondContact OG-N 3.17Å; W193-W204 HydrophobicContact CB-CE3 3.86Å; W193-W204 HydrophobicContact CB-CZ3 4.46Å; W193-W204 HydrophobicContact CE3-CB 4.25Å; W193-W204 VanDerWaalsContact O-CE3 3.32Å; W193-W204 WeakPolarHBondContact O-CZ3 3.47Å; W193-I205 WeakPolarHBondContact CA-O 3.08Å; W193-P206 HydrophobicContact CE3-CG 4.18Å; W193-P206 HydrophobicContact CH2-CG 3.87Å; W193-P206 HydrophobicContact CZ3-CG 3.61Å; W193-R296 VanDerWaalsContact CE3-NH1 3.3Å; W193-R296 HydrophobicContact CG-CG 4.37Å; W193-G297 PolarHBondContact NE1-O 3.43Å; W193-P299 HydrophobicContact CD2-CB 4.4Å; W193-P299 HydrophobicContact CZ2-CB 4.37Å
194W93Very high85.8Confident6 Ų660.9 Ų60.92%0.02330%0.297CS..EExtended strand (participates in β ladder)trans-106.1140.2178.6-65.3-0.2000109.8Y161 V185 E187 K188 S189 W204 I205 A207 L210 E218 L260Y161-W194 AromaticContact CD1-CZ3 3.92Å; Y161-W194 HydrophobicContact CD1-CZ3 3.92Å; Y161-W194 AromaticContact CE1-CH2 3.93Å; Y161-W194 HydrophobicContact CE1-CH2 3.93Å; Y161-W194 AromaticContact CE1-CZ3 3.55Å; Y161-W194 HydrophobicContact CE1-CZ3 3.55Å; Y161-W194 HydrophobicContact CE2-CZ3 4.26Å; Y161-W194 HydrophobicContact CG-CZ3 4.45Å; Y161-W194 AromaticContact CZ-CZ3 3.78Å; V185-W194 HydrophobicContact CG1-CB 4.32Å; V185-W194 HydrophobicContact CG1-CD2 4.34Å; V185-W194 HydrophobicContact CG1-CE3 3.86Å; V185-W194 HydrophobicContact CG2-CE3 3.86Å; V185-W194 HydrophobicContact CG2-CZ3 4.22Å; E187-W194 CarbonylContact O-C 3.58Å; E187-W194 VanDerWaalsContact O-CA 3.31Å; E187-W194 WeakPolarHBondContact O-CA 3.38Å; E187-W194 WeakPolarHBondContact O-CB 3.48Å; K188-W194 HydrophobicContact CB-CD2 4.25Å; K188-W194 HydrophobicContact CB-CG 4.36Å; K188-W194 HydrophobicContact CB-CZ2 4.49Å; K188-W194 HydrophobicContact CD-CD2 4.27Å; K188-W194 HydrophobicContact CD-CE3 4.36Å; K188-W194 HydrophobicContact CD-CH2 3.75Å; K188-W194 HydrophobicContact CD-CZ2 3.62Å; K188-W194 HydrophobicContact CD-CZ3 4.11Å; K188-W194 HydrophobicContact CG-CD2 3.72Å; K188-W194 HydrophobicContact CG-CE3 4Å; K188-W194 HydrophobicContact CG-CG 4.21Å; K188-W194 HydrophobicContact CG-CH2 4.26Å; K188-W194 HydrophobicContact CG-CZ2 3.98Å; K188-W194 HydrophobicContact CG-CZ3 4.26Å; S189-W194 VanDerWaalsContact N-CD1 3.32Å; S189-W194 PolarHBondContact O-NE1 3Å; W194-W204 VanDerWaalsContact C-CE3 3.47Å; W194-W204 CarbonylContact O-C 3.52Å; W194-W204 WeakPolarHBondContact O-CA 3.4Å; W194-I205 PolarHBondContact N-O 2.67Å; W194-I205 PolarHBondContact O-N 3.09Å; W194-A207 HydrophobicContact CD2-CB 3.61Å; W194-A207 HydrophobicContact CE3-CB 4.17Å; W194-A207 HydrophobicContact CG-CB 3.96Å; W194-A207 HydrophobicContact CH2-CB 4.21Å; W194-A207 HydrophobicContact CZ2-CB 3.67Å; W194-A207 HydrophobicContact CZ3-CB 4.44Å; W194-L210 HydrophobicContact CE3-CD1 4.16Å; W194-E218 VanDerWaalsContact CH2-OE2 3.31Å; W194-E218 WeakPolarHBondContact CH2-OE2 3.48Å; W194-L260 HydrophobicContact CZ2-CB 3.88Å; W194-L260 PolarHBondContact NE1-O 2.75Å; W194-L260 VanDerWaalsContact NE1-O 3.11Å
195F87.3Confident86.3Confident55 Ų5557 Ų5724%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-86.3115.3174.5-169.2-111.9000108.3V186 E187 R202 W204V186-F195 WeakPolarHBondContact CA-O 3.26Å; V186-F195 HydrophobicContact CB-CD1 3.94Å; V186-F195 WeakPolarHBondContact CB-O 3.31Å; V186-F195 HydrophobicContact CG1-CD1 4.12Å; V186-F195 HydrophobicContact CG2-CD1 4.43Å; V186-F195 PolarHBondContact N-O 3.34Å; E187-F195 HydrophobicContact CB-CB 3.99Å; E187-F195 PolarHBondContact N-O 2.96Å; E187-F195 VanDerWaalsContact N-O 3.11Å; E187-F195 PolarHBondContact O-N 2.88Å; F195-R202 HydrophobicContact CE1-CB 4.3Å; F195-R202 HydrophobicContact CE2-CB 4.31Å; F195-R202 HydrophobicContact CZ-CB 3.71Å; F195-W204 HydrophobicContact CB-CD2 4.13Å; F195-W204 HydrophobicContact CB-CE3 3.99Å; F195-W204 HydrophobicContact CB-CH2 4.03Å; F195-W204 HydrophobicContact CB-CZ2 4.16Å; F195-W204 HydrophobicContact CB-CZ3 3.93Å; F195-W204 AromaticContact CD2-CD1 3.86Å; F195-W204 HydrophobicContact CD2-CD2 4.06Å; F195-W204 AromaticContact CD2-CE2 3.86Å; F195-W204 HydrophobicContact CD2-CG 4.1Å; F195-W204 HydrophobicContact CD2-CZ2 4.39Å; F195-W204 AromaticContact CD2-NE1 3.73Å
196C89.5Confident86.9Confident0 Ų056.6 Ų56.60%028%0.276CS..EExtended strand (participates in β ladder)trans-122.1158.5-176.4-520000110.8M175 V183 E184 R202 G203 I205M175-C196 HydrophobicContact CE-CB 4.21Å; V183-C196 HydrophobicContact CB-CB 4.11Å; V183-C196 HydrophobicContact CG2-CB 4.13Å; E184-C196 CarbonylContact O-C 3.52Å; E184-C196 VanDerWaalsContact O-CA 3.26Å; E184-C196 WeakPolarHBondContact O-CA 3.4Å; C196-R202 WeakPolarHBondContact O-CA 3.33Å; C196-G203 PolarHBondContact N-O 3.13Å; C196-G203 PolarHBondContact O-N 3.21Å; C196-G203 VanDerWaalsContact O-N 3.09Å; C196-I205 HydrophobicContact CB-CD1 3.99Å
197Q87Confident87.5Confident37 Ų3754 Ų5417%0.17326%0.261CS..EExtended strand (participates in β ladder)trans-121.8142.7171.168.4176.723.600111.4L158 E184 V186 K201 R202L158-Q197 HydrophobicContact CD1-CG 4.13Å; L158-Q197 VanDerWaalsContact CD1-NE2 3.26Å; E184-Q197 HydrophobicContact CB-CG 3.81Å; E184-Q197 PolarHBondContact N-O 3.31Å; E184-Q197 PolarHBondContact O-N 3.37Å; E184-Q197 PolarHBondContact OE2-NE2 3.11Å; V186-Q197 HydrophobicContact CG2-CB 4.23Å; V186-Q197 HydrophobicContact CG2-CG 3.91Å; Q197-K201 WeakPolarHBondContact CA-O 3.37Å; Q197-R202 HydrophobicContact CB-CG 3.74Å
198M83.6Confident88.2Confident35 Ų3549.3 Ų49.317%0.17224%0.24CC..EExtended strand (participates in β ladder)trans-137.7110.9174.5-177.517459.500108.8M175 D181 V183 A200 K201M175-M198 HydrophobicContact CE-CB 4.02Å; M175-M198 HydrophobicContact SD-CB 4.23Å; D181-M198 HydrophobicContact CB-SD 3.88Å; V183-M198 HydrophobicContact CG1-CB 4.21Å; V183-M198 HydrophobicContact CG1-SD 4.46Å; M198-A200 PolarHBondContact O-N 3.32Å; M198-K201 PolarHBondContact N-O 3.41Å; M198-K201 PolarHBondContact O-N 3.45Å
199K78.4Confident88.8Confident213 Ų21348.1 Ų48.193%0.92624%0.235SC*.THydrogen-bonded Turntrans51.7-109.3-176.1-59.1177.6-179.9174.10110.9
200A77.8Confident89.3Confident103 Ų10347 Ų4785%0.85123%0.226SC*.THydrogen-bonded Turntrans-98.60.5-179.900000114.2M198M198-A200 PolarHBondContact O-N 3.32Å
201K83.2Confident89.5Confident144 Ų14442.5 Ų42.563%0.62621%0.205SC*.EExtended strand (participates in β ladder)trans-105.8144.9-179.1-63.6-179.6-178.7175.60110.3M175 Q197 M198M175-K201 HydrophobicContact SD-CB 3.6Å; M175-K201 VanDerWaalsContact SD-CB 3.6Å; Q197-K201 WeakPolarHBondContact CA-O 3.37Å; M198-K201 PolarHBondContact N-O 3.41Å; M198-K201 PolarHBondContact O-N 3.45Å
202R88.3Confident89.2Confident167 Ų16741.7 Ų41.763%0.6320%0.199SC*.EExtended strand (participates in β ladder)trans-137.1149.9173-55.1-168176.1108.30.1109.3F195 C196 Q197F195-R202 HydrophobicContact CE1-CB 4.3Å; F195-R202 HydrophobicContact CE2-CB 4.31Å; F195-R202 HydrophobicContact CZ-CB 3.71Å; C196-R202 WeakPolarHBondContact O-CA 3.33Å; Q197-R202 HydrophobicContact CB-CG 3.74Å
203G89.1Confident88.5Confident2 Ų245.1 Ų45.12%0.02122%0.217CC..EExtended strand (participates in β ladder)trans170.7175.9175.300000111.4C196C196-G203 PolarHBondContact N-O 3.13Å; C196-G203 PolarHBondContact O-N 3.21Å; C196-G203 VanDerWaalsContact O-N 3.09Å
204W91.2Very high87.3Confident59 Ų5950.5 Ų50.522%0.22325%0.246CC..EExtended strand (participates in β ladder)trans-84.5138.5-179.9-66.289000111.4S173 E174 M175 W193 W194 F195 R296S173-W204 PolarHBondContact O-N 3.21Å; E174-W204 VanDerWaalsContact CA-O 3.28Å; E174-W204 WeakPolarHBondContact CA-O 3.04Å; E174-W204 HydrophobicContact CG-CB 4.5Å; M175-W204 PolarHBondContact N-O 3.27Å; M175-W204 VanDerWaalsContact N-O 3.07Å; W193-W204 HydrophobicContact CB-CE3 3.86Å; W193-W204 HydrophobicContact CB-CZ3 4.46Å; W193-W204 HydrophobicContact CE3-CB 4.25Å; W193-W204 VanDerWaalsContact O-CE3 3.32Å; W193-W204 WeakPolarHBondContact O-CZ3 3.47Å; W194-W204 VanDerWaalsContact C-CE3 3.47Å; W194-W204 CarbonylContact O-C 3.52Å; W194-W204 WeakPolarHBondContact O-CA 3.4Å; F195-W204 HydrophobicContact CB-CD2 4.13Å; F195-W204 HydrophobicContact CB-CE3 3.99Å; F195-W204 HydrophobicContact CB-CH2 4.03Å; F195-W204 HydrophobicContact CB-CZ2 4.16Å; F195-W204 HydrophobicContact CB-CZ3 3.93Å; F195-W204 AromaticContact CD2-CD1 3.86Å; F195-W204 HydrophobicContact CD2-CD2 4.06Å; F195-W204 AromaticContact CD2-CE2 3.86Å; F195-W204 HydrophobicContact CD2-CG 4.1Å; F195-W204 HydrophobicContact CD2-CZ2 4.39Å; F195-W204 AromaticContact CD2-NE1 3.73Å; W204-R296 VanDerWaalsContact CB-CZ 3.48Å; W204-R296 VanDerWaalsContact CG-CZ 3.46Å
205I95.5Very high86.4Confident0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-132.9144.9-178.5-78.6158000109.1M175 L177 V183 W193 W194 C196 A207 L210M175-I205 HydrophobicContact CB-CD1 4.06Å; M175-I205 HydrophobicContact CB-CG1 4.15Å; M175-I205 HydrophobicContact CE-CD1 3.38Å; M175-I205 HydrophobicContact CG-CD1 4.34Å; M175-I205 WeakPolarHBondContact O-CG1 3.11Å; L177-I205 HydrophobicContact CD1-CB 4.37Å; L177-I205 HydrophobicContact CD1-CD1 3.85Å; L177-I205 HydrophobicContact CD1-CG1 3.98Å; L177-I205 HydrophobicContact CD1-CG2 3.44Å; L177-I205 VanDerWaalsContact CD1-CG2 3.44Å; L177-I205 HydrophobicContact CD2-CD1 3.6Å; L177-I205 HydrophobicContact CD2-CG1 4.45Å; L177-I205 HydrophobicContact CG-CD1 3.75Å; L177-I205 HydrophobicContact CG-CG1 4.05Å; L177-I205 HydrophobicContact CG-CG2 4.41Å; V183-I205 HydrophobicContact CG1-CD1 4.49Å; W193-I205 WeakPolarHBondContact CA-O 3.08Å; W194-I205 PolarHBondContact N-O 2.67Å; W194-I205 PolarHBondContact O-N 3.09Å; C196-I205 HydrophobicContact CB-CD1 3.99Å; I205-A207 PolarHBondContact O-N 3.27Å; I205-L210 HydrophobicContact CG2-CD1 3.8Å; I205-L210 HydrophobicContact CG2-CD2 4.2Å; I205-L210 HydrophobicContact CG2-CG 3.88Å
206P96.6Very high85.8Confident0 Ų050 Ų500%025%0.25CS..EExtended strand (participates in β ladder)trans-66123.9170.6-16.830.5000111.2Y167 G192 W193 S208 F209 P299 P300Y167-P206 HydrophobicContact CD1-CG 4.44Å; Y167-P206 HydrophobicContact CD2-CG 3.91Å; Y167-P206 HydrophobicContact CE1-CG 4.14Å; Y167-P206 HydrophobicContact CE2-CG 3.59Å; Y167-P206 HydrophobicContact CG-CG 4.34Å; G192-P206 WeakPolarHBondContact O-CA 3.44Å; W193-P206 HydrophobicContact CE3-CG 4.18Å; W193-P206 HydrophobicContact CH2-CG 3.87Å; W193-P206 HydrophobicContact CZ3-CG 3.61Å; P206-S208 PolarHBondContact O-N 2.89Å; P206-S208 VanDerWaalsContact O-N 3.14Å; P206-F209 HydrophobicContact CB-CD2 3.97Å; P206-F209 HydrophobicContact CG-CD2 4.32Å; P206-F209 PolarHBondContact O-N 3.48Å; P206-P299 HydrophobicContact CB-CB 4.26Å; P206-P300 HydrophobicContact CB-CG 3.8Å; P206-P300 HydrophobicContact CG-CG 3.65Å
207A94.6Very high85.1Confident7 Ų751.6 Ų51.66%0.05826%0.259CS..G310 helixtrans-57-30.717700000112.5G192 W194 I205 F209 L210G192-A207 WeakPolarHBondContact O-CB 3.25Å; G192-A207 PolarHBondContact O-N 2.76Å; W194-A207 HydrophobicContact CD2-CB 3.61Å; W194-A207 HydrophobicContact CE3-CB 4.17Å; W194-A207 HydrophobicContact CG-CB 3.96Å; W194-A207 HydrophobicContact CH2-CB 4.21Å; W194-A207 HydrophobicContact CZ2-CB 3.67Å; W194-A207 HydrophobicContact CZ3-CB 4.44Å; I205-A207 PolarHBondContact O-N 3.27Å; A207-F209 PolarHBondContact O-N 3.38Å; A207-F209 VanDerWaalsContact O-N 3.17Å; A207-L210 PolarHBondContact O-N 2.89Å
208S95.8Very high84.8Confident4 Ų451.1 Ų51.13%0.02826%0.257CS..G310 helixtrans-59.8-23.8177.254.90000114.4P206 P300 R302P206-S208 PolarHBondContact O-N 2.89Å; P206-S208 VanDerWaalsContact O-N 3.14Å; S208-P300 VanDerWaalsContact CB-O 3.22Å; S208-P300 WeakPolarHBondContact CB-O 3.36Å; S208-P300 PolarHBondContact OG-O 3.3Å; S208-R302 VanDerWaalsContact O-CZ 3.29Å; S208-R302 PolarHBondContact O-NE 3Å; S208-R302 PolarHBondContact O-NH2 3.41Å
209F96.3Very high84.2Confident19 Ų1954.4 Ų54.48%0.08328%0.279CS..G310 helixtrans-89.6-3178.2-80.4-115.6000113.1A163 I164 A165 D166 Y167 P206 A207 P300 I305A163-F209 WeakPolarHBondContact CA-O 3.36Å; I164-F209 WeakPolarHBondContact CG1-O 3.26Å; I164-F209 PolarHBondContact N-O 2.64Å; A165-F209 HydrophobicContact CB-CD1 4.04Å; A165-F209 HydrophobicContact CB-CE1 4.09Å; D166-F209 VanDerWaalsContact O-CE1 3.26Å; D166-F209 WeakPolarHBondContact O-CE1 3.45Å; Y167-F209 HydrophobicContact CD2-CD1 4.45Å; Y167-F209 HydrophobicContact CD2-CE1 4.26Å; Y167-F209 HydrophobicContact CD2-CZ 4.36Å; Y167-F209 HydrophobicContact CG-CD1 4.48Å; P206-F209 HydrophobicContact CB-CD2 3.97Å; P206-F209 HydrophobicContact CG-CD2 4.32Å; P206-F209 PolarHBondContact O-N 3.48Å; A207-F209 PolarHBondContact O-N 3.38Å; A207-F209 VanDerWaalsContact O-N 3.17Å; F209-P300 HydrophobicContact CD2-CG 4.06Å; F209-P300 HydrophobicContact CE2-CB 3.83Å; F209-P300 HydrophobicContact CE2-CG 3.43Å; F209-P300 VanDerWaalsContact CE2-CG 3.43Å; F209-P300 HydrophobicContact CZ-CB 4.49Å; F209-P300 HydrophobicContact CZ-CG 4.21Å; F209-I305 HydrophobicContact CD1-CD1 4.14Å; F209-I305 HydrophobicContact CD2-CD1 3.72Å; F209-I305 HydrophobicContact CD2-CG1 4.35Å; F209-I305 HydrophobicContact CE1-CD1 4.12Å; F209-I305 HydrophobicContact CE1-CG1 4.2Å; F209-I305 HydrophobicContact CE2-CD1 3.66Å; F209-I305 HydrophobicContact CE2-CG1 3.77Å; F209-I305 HydrophobicContact CG-CD1 3.95Å; F209-I305 HydrophobicContact CZ-CD1 3.9Å; F209-I305 HydrophobicContact CZ-CG1 3.71Å
210L92.9Very high84Confident5 Ų548.8 Ų48.83%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-111.9143.4-176.4-64.2-179.3000111.3Y161 R162 L177 V183 W194 I205 A207 R302Y161-L210 HydrophobicContact CD1-CB 3.92Å; Y161-L210 HydrophobicContact CG-CB 4.37Å; R162-L210 CarbonylContact O-C 3.55Å; R162-L210 WeakPolarHBondContact O-CA 3.4Å; L177-L210 HydrophobicContact CD1-CD2 3.86Å; V183-L210 HydrophobicContact CG2-CD1 3.99Å; V183-L210 HydrophobicContact CG2-CD2 3.7Å; W194-L210 HydrophobicContact CE3-CD1 4.16Å; I205-L210 HydrophobicContact CG2-CD1 3.8Å; I205-L210 HydrophobicContact CG2-CD2 4.2Å; I205-L210 HydrophobicContact CG2-CG 3.88Å; A207-L210 PolarHBondContact O-N 2.89Å; L210-R302 PolarHBondContact O-NH2 2.74Å
211E87.9Confident84Confident3 Ų345.4 Ų45.41%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-125.7143.716870.2-174.4170.700110.8Y161 R162 I164 S310 I311 H312Y161-E211 CarbonylContact C-O 3.56Å; Y161-E211 VanDerWaalsContact CA-O 3.26Å; Y161-E211 WeakPolarHBondContact CA-O 3.42Å; Y161-E211 WeakPolarHBondContact CB-O 3.24Å; Y161-E211 WeakPolarHBondContact CD1-O 3.37Å; R162-E211 HydrophobicContact CB-CG 4.3Å; R162-E211 PolarHBondContact N-O 3.08Å; R162-E211 IonicContact NH1-OE1 3.66Å; R162-E211 PolarHBondContact NH1-OE1 2.84Å; R162-E211 PolarHBondContact O-N 2.78Å; I164-E211 HydrophobicContact CG2-CB 3.86Å; I164-E211 HydrophobicContact CG2-CG 3.57Å; I164-E211 WeakPolarHBondContact CG2-OE2 3.37Å; E211-S310 VanDerWaalsContact OE1-CA 3.31Å; E211-S310 WeakPolarHBondContact OE1-CA 3.45Å; E211-S310 WeakPolarHBondContact OE2-CA 3.43Å; E211-S310 WeakPolarHBondContact OE2-CB 3.32Å; E211-S310 PolarHBondContact OE2-OG 2.95Å; E211-I311 WeakPolarHBondContact OE1-CG1 3.46Å; E211-I311 PolarHBondContact OE1-N 2.88Å; E211-H312 IonicContact OE2-CD2 2.78Å
212P80.8Confident83.8Confident10 Ų1041.3 Ų41.37%0.06521%0.211CC..EExtended strand (participates in β ladder)trans-63.2149.1174.4-10.421.2000110.8Y161 D214 S215 H312Y161-P212 HydrophobicContact CD1-CB 4.35Å; Y161-P212 HydrophobicContact CD1-CG 4.2Å; Y161-P212 VanDerWaalsContact CD1-N 3.34Å; Y161-P212 HydrophobicContact CE1-CB 3.89Å; Y161-P212 HydrophobicContact CE1-CG 3.48Å; Y161-P212 VanDerWaalsContact CE1-CG 3.48Å; P212-D214 VanDerWaalsContact CB-OD1 3.26Å; P212-D214 WeakPolarHBondContact CB-OD1 3.16Å; P212-S215 VanDerWaalsContact CB-O 3.24Å; P212-S215 WeakPolarHBondContact CB-O 3.39Å; P212-S215 WeakPolarHBondContact CD-O 3.21Å; P212-S215 WeakPolarHBondContact CG-O 3.4Å; P212-H312 PolarHBondContact O-NE2 2.61Å
213L76.3Confident83.4Confident73 Ų7341.5 Ų41.538%0.38222%0.22SC..SBendtrans-74.6-27.3179.5-73.7-175.2000113.9T160 R162 V182 I311T160-L213 HydrophobicContact CG2-CD1 3.41Å; T160-L213 VanDerWaalsContact CG2-CD1 3.41Å; T160-L213 HydrophobicContact CG2-CG 4.2Å; T160-L213 PolarHBondContact O-N 2.87Å; R162-L213 HydrophobicContact CB-CD2 3.75Å; V182-L213 HydrophobicContact CG1-CD1 4.35Å; L213-I311 HydrophobicContact CD2-CD1 3.79Å
214D68.4Low83.2Confident118 Ų11842.8 Ų42.863%0.63123%0.227SC*.SBendtrans-89.4-35.1-173.561.7-36.1000113P212P212-D214 VanDerWaalsContact CB-OD1 3.26Å; P212-D214 WeakPolarHBondContact CB-OD1 3.16Å
215S73.8Confident83.1Confident30 Ų3043.1 Ų43.121%0.2123%0.234CC..  trans-150.3149-177.2178.20000111.5P212 D217P212-S215 VanDerWaalsContact CB-O 3.24Å; P212-S215 WeakPolarHBondContact CB-O 3.39Å; P212-S215 WeakPolarHBondContact CD-O 3.21Å; P212-S215 WeakPolarHBondContact CG-O 3.4Å; S215-D217 PolarHBondContact O-N 3.29Å; S215-D217 PolarHBondContact OG-N 2.84Å
216P74.1Confident82.9Confident21 Ų2144.9 Ų44.914%0.13624%0.241CC..SBendtrans-72-15.1171.130.9-36.6000113.2H312 R314 R316P216-H312 HydrophobicContact CB-CB 3.94Å; P216-H312 HydrophobicContact CG-CB 4.15Å; P216-R314 HydrophobicContact CG-CB 4.43Å; P216-R314 WeakPolarHBondContact CG-O 3.24Å; P216-R316 HydrophobicContact CB-CB 4.48Å; P216-R316 WeakPolarHBondContact O-CB 3.26Å; P216-R316 VanDerWaalsContact O-CG 3.31Å; P216-R316 WeakPolarHBondContact O-CG 3.39Å
217D76.3Confident82.6Confident33 Ų3346.1 Ų46.118%0.17625%0.251CS..SBendtrans-87.6132.2-178.9-67.1-28.4000110.6S215 K317S215-D217 PolarHBondContact O-N 3.29Å; S215-D217 PolarHBondContact OG-N 2.84Å; D217-K317 PolarHBondContact OD1-N 2.9Å; D217-K317 WeakPolarHBondContact OD2-CD 3.36Å; D217-K317 WeakPolarHBondContact OD2-CE 3.44Å; D217-K317 IonicContact OD2-NZ 3.86Å; D217-K317 PolarHBondContact OD2-NZ 2.89Å
218E81.1Confident82.5Confident28 Ų2846.6 Ų46.613%0.13126%0.256CS..  trans-78120.5172174.857.2-120.900109.1Y161 K188 W194 E220 D221 L260Y161-E218 PolarHBondContact OH-OE2 2.99Å; Y161-E218 VanDerWaalsContact OH-OE2 3.04Å; K188-E218 IonicContact NZ-OE1 3.83Å; K188-E218 PolarHBondContact NZ-OE1 2.76Å; K188-E218 IonicContact NZ-OE2 3.26Å; W194-E218 VanDerWaalsContact CH2-OE2 3.31Å; W194-E218 WeakPolarHBondContact CH2-OE2 3.48Å; E218-E220 WeakPolarHBondContact OE1-CB 3.31Å; E218-E220 PolarHBondContact OE1-N 3.17Å; E218-E220 VanDerWaalsContact OE1-N 3.09Å; E218-D221 WeakPolarHBondContact CB-OD2 3.44Å; E218-D221 HydrophobicContact CG-CB 4.17Å; E218-D221 WeakPolarHBondContact CG-OD2 3.42Å; E218-L260 HydrophobicContact CG-CD1 4.45Å
219T69.2Low82.4Confident104 Ų10448.8 Ų48.864%0.63827%0.266SS*.SBendtrans-89.3-16.2-173530000113.3
220E74.7Confident82.4Confident95 Ų9551.4 Ų51.444%0.44429%0.285SS..SBendtrans-1002.7-178.9-60.4-178.1163.300113.4Q159 K188 E218 L260Q159-E220 PolarHBondContact NE2-OE1 2.95Å; K188-E220 VanDerWaalsContact CD-OE2 3.26Å; K188-E220 WeakPolarHBondContact CD-OE2 3.32Å; K188-E220 VanDerWaalsContact CE-OE2 3.31Å; K188-E220 WeakPolarHBondContact CE-OE2 3.24Å; K188-E220 IonicContact NZ-OE2 2.86Å; K188-E220 PolarHBondContact NZ-OE2 2.86Å; E218-E220 WeakPolarHBondContact OE1-CB 3.31Å; E218-E220 PolarHBondContact OE1-N 3.17Å; E218-E220 VanDerWaalsContact OE1-N 3.09Å; E220-L260 HydrophobicContact CB-CD1 3.91Å; E220-L260 WeakPolarHBondContact O-CD1 3.15Å
221D77.6Confident82.6Confident31 Ų3152.1 Ų52.117%0.16629%0.287CS..PPolyproline II helixtrans-62.5130.2171.3-88.1-36.3000109.8E218 L259 L260 R316E218-D221 WeakPolarHBondContact CB-OD2 3.44Å; E218-D221 HydrophobicContact CG-CB 4.17Å; E218-D221 WeakPolarHBondContact CG-OD2 3.42Å; D221-L259 HydrophobicContact CB-CD2 4.36Å; D221-L260 WeakPolarHBondContact OD1-CB 3.45Å; D221-L260 PolarHBondContact OD1-N 2.91Å; D221-R316 IonicContact OD2-CZ 2.7Å; D221-R316 IonicContact OD2-NH2 3.96Å; D221-R316 PolarHBondContact OD2-NH2 3.34Å
222P78.9Confident83.1Confident58 Ų5853.5 Ų53.538%0.37730%0.296SS..PPolyproline II helixtrans-71.3145.4177.629.2-33.9000111H257 K258P222-H257 PolarHBondContact O-CD2 2.86Å; P222-H257 PolarHBondContact O-NE2 2.71Å; P222-K258 VanDerWaalsContact CD-O 3.29Å; P222-K258 WeakPolarHBondContact CD-O 3.3Å; P222-K258 HydrophobicContact CG-CB 4.01Å; P222-K258 WeakPolarHBondContact CG-O 3.43Å
223E81.6Confident83.9Confident172 Ų17253.1 Ų53.180%0.80429%0.294SS*.PPolyproline II helixtrans-60.5148.8177-72.2-68.7159.200113N225E223-N225 PolarHBondContact O-N 3.34Å
224P83.3Confident84.8Confident28 Ų2849.8 Ų49.818%0.18228%0.276CS..PPolyproline II helixtrans-61.3128.7176.5-19.930000112.9Y226 I256 H257 Y324P224-Y226 HydrophobicContact CB-CD2 4.46Å; P224-Y226 HydrophobicContact CB-CE1 4.36Å; P224-Y226 HydrophobicContact CB-CE2 3.83Å; P224-I256 CarbonylContact C-O 3.6Å; P224-I256 WeakPolarHBondContact CA-O 3.39Å; P224-H257 HydrophobicContact CB-CB 4.38Å; P224-Y324 HydrophobicContact CB-CE1 4.43Å; P224-Y324 HydrophobicContact CG-CE1 4.22Å
225N90.3Very high86.1Confident66 Ų6648.3 Ų48.335%0.35326%0.264SS..  trans-101.288.1172.3-179.611.2000111E223 A227 G228 I256E223-N225 PolarHBondContact O-N 3.34Å; N225-A227 PolarHBondContact O-N 2.88Å; N225-A227 VanDerWaalsContact O-N 3.09Å; N225-A227 VanDerWaalsContact OD1-CB 3.23Å; N225-A227 WeakPolarHBondContact OD1-CB 3.3Å; N225-A227 PolarHBondContact OD1-N 2.88Å; N225-G228 PolarHBondContact O-N 2.87Å; N225-I256 CarbonylContact C-O 3.56Å; N225-I256 PolarHBondContact N-O 2.77Å; N225-I256 WeakPolarHBondContact O-CA 3.39Å
226Y90.4Very high87.2Confident38 Ų3849.3 Ų49.315%0.14927%0.274CS..THydrogen-bonded Turntrans-66.3-10.4179.8-62-73000114.6P224 G228 I256 R267 Y324 N327 F331P224-Y226 HydrophobicContact CB-CD2 4.46Å; P224-Y226 HydrophobicContact CB-CE1 4.36Å; P224-Y226 HydrophobicContact CB-CE2 3.83Å; Y226-G228 PolarHBondContact O-N 2.87Å; Y226-I256 HydrophobicContact CD1-CD1 4.48Å; Y226-R267 PolarHBondContact O-NH1 2.97Å; Y226-Y324 HydrophobicContact CE1-CD1 4.15Å; Y226-N327 HydrophobicContact CD1-CB 4Å; Y226-N327 HydrophobicContact CE1-CB 3.38Å; Y226-N327 HydrophobicContact CE2-CB 4Å; Y226-N327 PolarHBondContact OH-ND2 3.28Å; Y226-F331 WeakPolarHBondContact O-CD1 3.18Å
227A89.6Confident88.3Confident26 Ų2650.2 Ų50.222%0.21528%0.275CS..THydrogen-bonded Turntrans-63.9-29.9170.200000112N225 R267 F331N225-A227 PolarHBondContact O-N 2.88Å; N225-A227 VanDerWaalsContact O-N 3.09Å; N225-A227 VanDerWaalsContact OD1-CB 3.23Å; N225-A227 WeakPolarHBondContact OD1-CB 3.3Å; N225-A227 PolarHBondContact OD1-N 2.88Å; A227-R267 PolarHBondContact O-NH2 2.9Å; A227-F331 VanDerWaalsContact CA-CE1 3.42Å; A227-F331 HydrophobicContact CB-CE1 3.76Å; A227-F331 HydrophobicContact CB-CZ 3.94Å
228G92.4Very high89.3Confident16 Ų1652 Ų5217%0.16529%0.294CS..  trans81.3138.2-177.700000112.3N225 Y226 V255N225-G228 PolarHBondContact O-N 2.87Å; Y226-G228 PolarHBondContact O-N 2.87Å; G228-V255 WeakPolarHBondContact CA-O 3.46Å
229E94.8Very high90.1Very high51 Ų5152.4 Ų52.424%0.23830%0.303CS..EExtended strand (participates in β ladder)trans-106.5134.2164.9-68.3-176.5-149.300109.7Y231 E254 V255 K258 K282E229-Y231 HydrophobicContact CB-CD2 4.06Å; E229-Y231 HydrophobicContact CB-CE2 3.71Å; E229-Y231 WeakPolarHBondContact O-CD2 3.46Å; E229-Y231 PolarHBondContact O-N 2.89Å; E229-E254 CarbonylContact O-C 3.58Å; E229-E254 VanDerWaalsContact O-CA 3.31Å; E229-E254 WeakPolarHBondContact O-CA 3.27Å; E229-V255 PolarHBondContact N-O 3.5Å; E229-V255 PolarHBondContact O-N 3.04Å; E229-K258 VanDerWaalsContact CD-NZ 3.28Å; E229-K258 IonicContact OE1-NZ 2.69Å; E229-K258 PolarHBondContact OE1-NZ 2.88Å; E229-K258 IonicContact OE2-NZ 3.24Å; E229-K258 PolarHBondContact OE2-NZ 3.43Å; E229-K282 IonicContact OE2-NZ 2.87Å
230P96.8Very high91.4Very high74 Ų7453.4 Ų53.448%0.48131%0.308SS..EExtended strand (participates in β ladder)trans-74.9125-178.930.3-34.7000111.3S283P230-S283 VanDerWaalsContact C-OG 3.24Å; P230-S283 PolarHBondContact O-N 3.47Å; P230-S283 PolarHBondContact O-OG 3.23Å
231Y97.4Very high92.4Very high20 Ų2051.5 Ų51.58%0.07830%0.299CS..EExtended strand (participates in β ladder)trans-131.8162.4176.3-81.2-110.7000110.4E229 A252 V253 V255 K258 W264 L280 Q281 K282 S283E229-Y231 HydrophobicContact CB-CD2 4.06Å; E229-Y231 HydrophobicContact CB-CE2 3.71Å; E229-Y231 WeakPolarHBondContact O-CD2 3.46Å; E229-Y231 PolarHBondContact O-N 2.89Å; Y231-A252 WeakPolarHBondContact O-CA 3.45Å; Y231-V253 PolarHBondContact N-O 2.81Å; Y231-V253 PolarHBondContact O-N 2.87Å; Y231-V253 VanDerWaalsContact O-O 3.13Å; Y231-V255 HydrophobicContact CD1-CG2 4.18Å; Y231-V255 HydrophobicContact CD2-CB 3.93Å; Y231-V255 HydrophobicContact CD2-CG2 3.43Å; Y231-V255 VanDerWaalsContact CD2-CG2 3.43Å; Y231-V255 HydrophobicContact CE2-CB 4.18Å; Y231-V255 HydrophobicContact CE2-CG2 3.98Å; Y231-V255 HydrophobicContact CG-CG2 3.57Å; Y231-K258 WeakPolarHBondContact OH-CE 3.49Å; Y231-K258 PolarHBondContact OH-NZ 3.2Å; Y231-W264 HydrophobicContact CD1-CZ3 4.28Å; Y231-W264 HydrophobicContact CE1-CH2 4.27Å; Y231-W264 AromaticContact CE1-CZ3 3.71Å; Y231-W264 HydrophobicContact CE1-CZ3 3.71Å; Y231-W264 AromaticContact CZ-CZ3 3.9Å; Y231-L280 HydrophobicContact CD1-CB 3.84Å; Y231-Q281 CarbonylContact C-O 3.48Å; Y231-Q281 VanDerWaalsContact CA-O 3.23Å; Y231-Q281 WeakPolarHBondContact CA-O 3.4Å; Y231-Q281 WeakPolarHBondContact CB-O 3.34Å; Y231-Q281 WeakPolarHBondContact CD1-O 3.47Å; Y231-K282 HydrophobicContact CD1-CB 4.36Å; Y231-K282 VanDerWaalsContact CD1-N 3.27Å; Y231-K282 HydrophobicContact CE1-CB 3.99Å; Y231-K282 HydrophobicContact CE2-CB 4.35Å; Y231-K282 HydrophobicContact CE2-CG 4.31Å; Y231-S283 WeakPolarHBondContact CA-OG 3.22Å; Y231-S283 PolarHBondContact N-OG 3.4Å
232V96.8Very high93.3Very high32 Ų3259.9 Ų59.919%0.19434%0.338CS..EExtended strand (participates in β ladder)trans-124.8143.2173.2-64.50000110I234 E251 A252 L280 Q281V232-I234 HydrophobicContact CG2-CG2 4.41Å; V232-I234 PolarHBondContact O-N 2.65Å; V232-E251 CarbonylContact C-O 3.54Å; V232-E251 WeakPolarHBondContact CA-O 3.33Å; V232-A252 HydrophobicContact CG1-CB 4.39Å; V232-L280 WeakPolarHBondContact O-CA 3.28Å; V232-Q281 HydrophobicContact CG2-CB 4.41Å; V232-Q281 PolarHBondContact N-O 3.27Å; V232-Q281 PolarHBondContact O-N 3.39Å
233A97.4Very high94.1Very high2 Ų259.4 Ų59.42%0.01733%0.332CS..EExtended strand (participates in β ladder)trans-70.7121.3171.900000110L247 L248 G250 E251 Y279A233-L247 HydrophobicContact CB-CB 4.08Å; A233-L247 HydrophobicContact CB-CD1 4.13Å; A233-L248 WeakPolarHBondContact CB-O 3.39Å; A233-G250 PolarHBondContact O-N 3Å; A233-E251 PolarHBondContact N-O 3.21Å; A233-Y279 CarbonylContact C-O 3.59Å; A233-Y279 WeakPolarHBondContact CA-O 3.23Å
234I96Very high94.9Very high2 Ų252.1 Ų52.11%0.0130%0.298CS..SBendtrans-99.8-3.5177.959.6169.2000112.8V232 Y279 Q281 V287 A290 Q291 I294V232-I234 HydrophobicContact CG2-CG2 4.41Å; V232-I234 PolarHBondContact O-N 2.65Å; I234-Y279 VanDerWaalsContact CG1-C 3.49Å; I234-Y279 WeakPolarHBondContact CG1-O 3.49Å; I234-Y279 PolarHBondContact N-O 2.96Å; I234-Q281 HydrophobicContact CD1-CB 4.41Å; I234-Q281 HydrophobicContact CG2-CB 3.4Å; I234-Q281 VanDerWaalsContact CG2-CB 3.4Å; I234-Q281 HydrophobicContact CG2-CG 4.49Å; I234-V287 HydrophobicContact CB-CG1 4.01Å; I234-V287 HydrophobicContact CG2-CB 4.3Å; I234-V287 HydrophobicContact CG2-CG1 3.69Å; I234-V287 HydrophobicContact CG2-CG2 4.09Å; I234-A290 HydrophobicContact CD1-CB 3.46Å; I234-A290 VanDerWaalsContact CD1-CB 3.46Å; I234-Q291 HydrophobicContact CB-CG 4.36Å; I234-Q291 PolarHBondContact O-NE2 2.89Å; I234-I294 HydrophobicContact CD1-CD1 4.06Å
235K95.3Very high95.5Very high88 Ų8851.7 Ų51.738%0.38329%0.294SS..SBendtrans-152135.4173.2-174.1178.1175.3-173.30108.5Y279K235-Y279 HydrophobicContact CB-CD1 4.04Å; K235-Y279 HydrophobicContact CB-CG 4.04Å; K235-Y279 HydrophobicContact CD-CD1 3.78Å; K235-Y279 HydrophobicContact CD-CE1 3.55Å; K235-Y279 HydrophobicContact CD-CE2 4.37Å; K235-Y279 HydrophobicContact CD-CG 4.3Å; K235-Y279 HydrophobicContact CG-CD1 4.42Å; K235-Y279 PolarHBondContact NZ-OH 3.28Å
236A97.1Very high95.8Very high51 Ų5151.8 Ų51.842%0.42130%0.3SS..  trans-65.8144.9176.800000111.6L247A236-L247 VanDerWaalsContact CA-O 3.31Å; A236-L247 WeakPolarHBondContact CA-O 3.5Å
237Y97.4Very high96.2Very high40 Ų4050.1 Ų50.116%0.15729%0.294CS..BIsolated β-bridgetrans-145135.7175.7173.4-100.7000109.7E244 S246 L247 W263 F275 P276 Y279Y237-E244 HydrophobicContact CE1-CB 4.41Å; Y237-E244 VanDerWaalsContact OH-CD 3.24Å; Y237-E244 PolarHBondContact OH-OE2 2.88Å; Y237-S246 CarbonylContact O-C 3.55Å; Y237-S246 VanDerWaalsContact O-CA 3.3Å; Y237-S246 WeakPolarHBondContact O-CA 3.43Å; Y237-L247 PolarHBondContact N-O 3.37Å; Y237-L247 PolarHBondContact O-N 3.34Å; Y237-W263 HydrophobicContact CE1-CH2 4.33Å; Y237-W263 HydrophobicContact CE1-CZ3 4.02Å; Y237-W263 HydrophobicContact CE2-CH2 4.08Å; Y237-W263 AromaticContact CZ-CH2 3.65Å; Y237-W263 AromaticContact CZ-CZ3 3.8Å; Y237-W263 VanDerWaalsContact OH-CH2 3.24Å; Y237-W263 WeakPolarHBondContact OH-CH2 3.47Å; Y237-W263 WeakPolarHBondContact OH-CZ3 3.28Å; Y237-F275 AromaticContact CD1-CD2 4Å; Y237-F275 HydrophobicContact CD1-CD2 4Å; Y237-F275 AromaticContact CD1-CE2 3.77Å; Y237-F275 HydrophobicContact CD1-CE2 3.77Å; Y237-F275 HydrophobicContact CG-CE2 4.14Å; Y237-P276 HydrophobicContact CD1-CG 4.36Å; Y237-P276 HydrophobicContact CD2-CG 4.16Å; Y237-P276 HydrophobicContact CE1-CG 4.47Å; Y237-P276 HydrophobicContact CE2-CG 4.3Å; Y237-P276 HydrophobicContact CG-CG 4.21Å; Y237-Y279 HydrophobicContact CD2-CE2 4.22Å
238A97.8Very high96.5Very high69 Ų6954.6 Ų54.657%0.5731%0.314SS*.  trans-104.6127176.400000109V240A238-V240 PolarHBondContact O-N 3.09Å
239A96.9Very high96.7Very high38 Ų3859.4 Ų59.431%0.31433%0.332SS..  trans-58.5132.4175.700000110.8E244 S246A239-E244 HydrophobicContact CB-CB 3.72Å; A239-S246 WeakPolarHBondContact CB-OG 3.36Å; A239-S246 PolarHBondContact N-OG 3.44Å
240V96.8Very high96.7Very high125 Ų12559.7 Ų59.776%0.75835%0.348SS*.SBendtrans-106-36176.3-177.60000110.1A238 E244A238-V240 PolarHBondContact O-N 3.09Å; V240-E244 WeakPolarHBondContact CA-OE2 3.22Å; V240-E244 PolarHBondContact N-OE2 3.36Å
241E96Very high96.7Very high55 Ų5558.9 Ų58.926%0.25734%0.338SS..SBendtrans-105.9155.6175.1-61.3-178.7-16600111.4D243 E244 R301 S303E241-D243 WeakPolarHBondContact CB-OD1 3.45Å; E241-D243 PolarHBondContact O-N 3.49Å; E241-E244 HydrophobicContact CB-CG 4.11Å; E241-E244 PolarHBondContact N-OE2 3.12Å; E241-E244 WeakPolarHBondContact O-CB 3.04Å; E241-E244 PolarHBondContact O-N 3.27Å; E241-E244 VanDerWaalsContact O-N 3.13Å; E241-R301 IonicContact OE2-CZ 3.67Å; E241-R301 IonicContact OE2-NH1 2.96Å; E241-R301 PolarHBondContact OE2-NH1 2.79Å; E241-R301 IonicContact OE2-NH2 3.53Å; E241-S303 WeakPolarHBondContact OE1-CB 3.41Å; E241-S303 PolarHBondContact OE1-OG 2.86Å; E241-S303 WeakPolarHBondContact OE2-CB 3.49Å; E241-S303 PolarHBondContact OE2-OG 2.78Å
242E95.4Very high96.7Very high207 Ų20761.2 Ų61.297%0.96736%0.362SS*.THydrogen-bonded Turntrans-65.5-21.2-176.1-62.5-175.1165.200113.9E244E242-E244 VanDerWaalsContact C-N 3.34Å
243D96.4Very high96.7Very high47 Ų4760 Ų6025%0.25135%0.354SS..THydrogen-bonded Turntrans-93.78.7179.267.7-18.8000113.1E241 G273 Y274 R301 Q321E241-D243 WeakPolarHBondContact CB-OD1 3.45Å; E241-D243 PolarHBondContact O-N 3.49Å; D243-G273 CarbonylContact O-C 3.59Å; D243-G273 VanDerWaalsContact O-CA 3.31Å; D243-G273 WeakPolarHBondContact O-CA 3.09Å; D243-Y274 HydrophobicContact CB-CD2 4.16Å; D243-Y274 HydrophobicContact CB-CE2 4.36Å; D243-Y274 WeakPolarHBondContact O-CD2 3.34Å; D243-Y274 PolarHBondContact O-N 3.04Å; D243-Y274 VanDerWaalsContact OD2-CD2 3.3Å; D243-Y274 WeakPolarHBondContact OD2-CD2 3.37Å; D243-Y274 WeakPolarHBondContact OD2-CE2 3.43Å; D243-R301 IonicContact OD1-CZ 3.95Å; D243-R301 IonicContact OD1-NH1 3.24Å; D243-R301 PolarHBondContact OD1-NH1 2.83Å; D243-R301 IonicContact OD1-NH2 3.76Å; D243-R301 PolarHBondContact OD1-NH2 2.83Å; D243-R301 IonicContact OD2-CZ 3.26Å; D243-R301 IonicContact OD2-NH1 3.25Å; D243-R301 IonicContact OD2-NH2 2.79Å; D243-R301 PolarHBondContact OD2-NH2 3.15Å; D243-Q321 HydrophobicContact CB-CG 3.72Å
244E97.6Very high96.7Very high19 Ų1963 Ų639%0.08937%0.368CS..BIsolated β-bridgetrans-102.6159.2176.4-63.7169.4175.400112.1Y237 A239 V240 E241 E242 W263 Y274 R301Y237-E244 HydrophobicContact CE1-CB 4.41Å; Y237-E244 VanDerWaalsContact OH-CD 3.24Å; Y237-E244 PolarHBondContact OH-OE2 2.88Å; A239-E244 HydrophobicContact CB-CB 3.72Å; V240-E244 WeakPolarHBondContact CA-OE2 3.22Å; V240-E244 PolarHBondContact N-OE2 3.36Å; E241-E244 HydrophobicContact CB-CG 4.11Å; E241-E244 PolarHBondContact N-OE2 3.12Å; E241-E244 WeakPolarHBondContact O-CB 3.04Å; E241-E244 PolarHBondContact O-N 3.27Å; E241-E244 VanDerWaalsContact O-N 3.13Å; E242-E244 VanDerWaalsContact C-N 3.34Å; E244-W263 HydrophobicContact CG-CZ3 4.27Å; E244-Y274 WeakPolarHBondContact CA-O 3.28Å; E244-R301 WeakPolarHBondContact OE1-CD 3.47Å; E244-R301 IonicContact OE1-CZ 3.68Å; E244-R301 IonicContact OE1-NE 2.87Å; E244-R301 IonicContact OE1-NH1 2.58Å; E244-R301 PolarHBondContact OE1-NH1 3.3Å
245V96.8Very high96.8Very high19 Ų1963 Ų6312%0.11537%0.368CS..  trans-113.6129.9178.5-1740000110.4L247 I266 Y274 F275V245-L247 HydrophobicContact CG1-CD2 3.94Å; V245-L247 HydrophobicContact CG1-CG 4.13Å; V245-I266 HydrophobicContact CB-CD1 3.97Å; V245-I266 HydrophobicContact CB-CG1 4.46Å; V245-I266 HydrophobicContact CG1-CD1 4.11Å; V245-I266 HydrophobicContact CG2-CD1 4.08Å; V245-I266 HydrophobicContact CG2-CG1 4.05Å; V245-Y274 PolarHBondContact N-O 2.85Å; V245-F275 HydrophobicContact CB-CD2 4.5Å; V245-F275 VanDerWaalsContact O-CD2 3.24Å; V245-F275 WeakPolarHBondContact O-CD2 3.45Å
246S97.6Very high96.8Very high68 Ų6859 Ų5948%0.47635%0.351SS..  trans-79.7127.3167.8-64.20000110Y237 A239Y237-S246 CarbonylContact O-C 3.55Å; Y237-S246 VanDerWaalsContact O-CA 3.3Å; Y237-S246 WeakPolarHBondContact O-CA 3.43Å; A239-S246 WeakPolarHBondContact CB-OG 3.36Å; A239-S246 PolarHBondContact N-OG 3.44Å
247L97.3Very high96.7Very high4 Ų457.2 Ų57.22%0.02133%0.334CS..BIsolated β-bridgetrans-131.1143172.9-60.9176.8000111.4A233 A236 Y237 V245 E251 V253 I266 K268 F275 L280A233-L247 HydrophobicContact CB-CB 4.08Å; A233-L247 HydrophobicContact CB-CD1 4.13Å; A236-L247 VanDerWaalsContact CA-O 3.31Å; A236-L247 WeakPolarHBondContact CA-O 3.5Å; Y237-L247 PolarHBondContact N-O 3.37Å; Y237-L247 PolarHBondContact O-N 3.34Å; V245-L247 HydrophobicContact CG1-CD2 3.94Å; V245-L247 HydrophobicContact CG1-CG 4.13Å; L247-E251 VanDerWaalsContact CA-OE2 3.23Å; L247-E251 WeakPolarHBondContact CA-OE2 3.31Å; L247-E251 HydrophobicContact CD2-CB 4.25Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.17Å; L247-V253 HydrophobicContact CD1-CG1 3.61Å; L247-V253 HydrophobicContact CD1-CG2 4.42Å; L247-V253 HydrophobicContact CD2-CG1 3.81Å; L247-V253 HydrophobicContact CG-CG1 4.41Å; L247-I266 HydrophobicContact CD1-CD1 3.79Å; L247-K268 HydrophobicContact CD2-CD 3.74Å; L247-F275 HydrophobicContact CB-CD2 4.4Å; L247-F275 HydrophobicContact CB-CE2 3.53Å; L247-F275 HydrophobicContact CB-CZ 3.82Å; L247-F275 HydrophobicContact CD1-CD1 4.26Å; L247-F275 HydrophobicContact CD1-CD2 3.65Å; L247-F275 HydrophobicContact CD1-CE1 4.07Å; L247-F275 HydrophobicContact CD1-CE2 3.47Å; L247-F275 VanDerWaalsContact CD1-CE2 3.47Å; L247-F275 HydrophobicContact CD1-CG 4.05Å; L247-F275 HydrophobicContact CD1-CZ 3.69Å; L247-F275 HydrophobicContact CG-CD2 3.89Å; L247-F275 HydrophobicContact CG-CE2 3.51Å; L247-F275 HydrophobicContact CG-CZ 4.08Å; L247-L280 HydrophobicContact CD1-CD2 4.4Å
248L97.5Very high96.4Very high120 Ų12057.2 Ų57.263%0.62834%0.335SS*.  trans-86.7157.6164.7-61.5177.5000110.5A233 G250 E251A233-L248 WeakPolarHBondContact CB-O 3.39Å; L248-G250 PolarHBondContact O-N 3.4Å; L248-E251 HydrophobicContact CB-CG 4.12Å; L248-E251 PolarHBondContact N-OE2 2.92Å; L248-E251 WeakPolarHBondContact O-CB 3.49Å; L248-E251 PolarHBondContact O-N 3.45Å
249E96Very high96Very high116 Ų11654.1 Ų54.154%0.54231%0.309SS..THydrogen-bonded Turntrans-61.4134.2173.4-172175.1163.500110.5Q291E249-Q291 PolarHBondContact OE1-NE2 3.49Å
250G95Very high95.7Very high57 Ų5753.5 Ų53.559%0.58830%0.3SS*.THydrogen-bonded Turntrans91.7-10.5-176.200000115A233 L248 A252A233-G250 PolarHBondContact O-N 3Å; L248-G250 PolarHBondContact O-N 3.4Å; G250-A252 PolarHBondContact O-N 3.19Å
251E97Very high95.4Very high57 Ų5748 Ų4827%0.26627%0.266SS..  trans-69.4133.3178.4-68.8-162.3111.800112.1V232 A233 L247 L248 K268V232-E251 CarbonylContact C-O 3.54Å; V232-E251 WeakPolarHBondContact CA-O 3.33Å; A233-E251 PolarHBondContact N-O 3.21Å; L247-E251 VanDerWaalsContact CA-OE2 3.23Å; L247-E251 WeakPolarHBondContact CA-OE2 3.31Å; L247-E251 HydrophobicContact CD2-CB 4.25Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.17Å; L248-E251 HydrophobicContact CB-CG 4.12Å; L248-E251 PolarHBondContact N-OE2 2.92Å; L248-E251 WeakPolarHBondContact O-CB 3.49Å; L248-E251 PolarHBondContact O-N 3.45Å; E251-K268 IonicContact OE1-NZ 3.55Å; E251-K268 PolarHBondContact OE1-NZ 3.49Å; E251-K268 IonicContact OE2-NZ 2.72Å; E251-K268 PolarHBondContact OE2-NZ 3.41Å
252A96.4Very high95.3Very high69 Ų6945.4 Ų45.457%0.5725%0.254SS*.EExtended strand (participates in β ladder)trans-88.7139.3178.800000111.6Y231 V232 G250Y231-A252 WeakPolarHBondContact O-CA 3.45Å; V232-A252 HydrophobicContact CG1-CB 4.39Å; G250-A252 PolarHBondContact O-N 3.19Å
253V97.7Very high95.4Very high7 Ų736.1 Ų36.14%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-143.4163.3-179.7-61.40000110.9Y231 L247 I266 K268 L280Y231-V253 PolarHBondContact N-O 2.81Å; Y231-V253 PolarHBondContact O-N 2.87Å; Y231-V253 VanDerWaalsContact O-O 3.13Å; L247-V253 HydrophobicContact CD1-CG1 3.61Å; L247-V253 HydrophobicContact CD1-CG2 4.42Å; L247-V253 HydrophobicContact CD2-CG1 3.81Å; L247-V253 HydrophobicContact CG-CG1 4.41Å; V253-I266 HydrophobicContact CB-CB 4.44Å; V253-I266 HydrophobicContact CB-CD1 4.2Å; V253-I266 HydrophobicContact CG1-CD1 3.98Å; V253-I266 HydrophobicContact CG2-CB 4.4Å; V253-I266 HydrophobicContact CG2-CD1 4.27Å; V253-I266 HydrophobicContact CG2-CG2 4.25Å; V253-K268 HydrophobicContact CG1-CB 4.24Å; V253-K268 HydrophobicContact CG1-CG 4.25Å; V253-L280 HydrophobicContact CG2-CD2 3.81Å
254E97.4Very high95.5Very high66 Ų6634.1 Ų34.131%0.30820%0.199SC..EExtended strand (participates in β ladder)trans-107.6114173.8-64.8-179.1113.500110.2E229 I256 I266 R267E229-E254 CarbonylContact O-C 3.58Å; E229-E254 VanDerWaalsContact O-CA 3.31Å; E229-E254 WeakPolarHBondContact O-CA 3.27Å; E254-I256 PolarHBondContact O-N 2.84Å; E254-I266 CarbonylContact O-C 3.58Å; E254-I266 WeakPolarHBondContact O-CA 3.39Å; E254-R267 HydrophobicContact CB-CB 4.3Å; E254-R267 PolarHBondContact N-O 2.81Å; E254-R267 PolarHBondContact O-N 3.39Å; E254-R267 IonicContact OE1-NH2 3.48Å; E254-R267 PolarHBondContact OE1-NH2 2.81Å; E254-R267 IonicContact OE2-CZ 2.75Å; E254-R267 IonicContact OE2-NE 2.67Å; E254-R267 PolarHBondContact OE2-NE 2.98Å; E254-R267 IonicContact OE2-NH2 3.89Å; E254-R267 PolarHBondContact OE2-NH2 3.3Å
255V97.9Very high95.5Very high2 Ų233.2 Ų33.21%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-75.2124.4174.3176.90000109G228 E229 Y231 K258 W264 I266 L280G228-V255 WeakPolarHBondContact CA-O 3.46Å; E229-V255 PolarHBondContact N-O 3.5Å; E229-V255 PolarHBondContact O-N 3.04Å; Y231-V255 HydrophobicContact CD1-CG2 4.18Å; Y231-V255 HydrophobicContact CD2-CB 3.93Å; Y231-V255 HydrophobicContact CD2-CG2 3.43Å; Y231-V255 VanDerWaalsContact CD2-CG2 3.43Å; Y231-V255 HydrophobicContact CE2-CB 4.18Å; Y231-V255 HydrophobicContact CE2-CG2 3.98Å; Y231-V255 HydrophobicContact CG-CG2 3.57Å; V255-K258 HydrophobicContact CG1-CG 3.71Å; V255-W264 HydrophobicContact CB-CE3 4.28Å; V255-W264 HydrophobicContact CG1-CB 4.44Å; V255-W264 HydrophobicContact CG1-CD2 4.1Å; V255-W264 HydrophobicContact CG1-CE3 3.49Å; V255-W264 VanDerWaalsContact CG1-CE3 3.49Å; V255-W264 HydrophobicContact CG1-CZ3 4.04Å; V255-W264 HydrophobicContact CG2-CE3 3.75Å; V255-W264 HydrophobicContact CG2-CZ3 4.08Å; V255-I266 HydrophobicContact CG2-CG2 4.03Å; V255-L280 HydrophobicContact CG2-CD1 3.97Å
256I94.6Very high95.6Very high2 Ų232.3 Ų32.31%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-115.1-14.9-178.661.7169.3000113.8P224 N225 Y226 E254 V265 R267 T272 Y324P224-I256 CarbonylContact C-O 3.6Å; P224-I256 WeakPolarHBondContact CA-O 3.39Å; N225-I256 CarbonylContact C-O 3.56Å; N225-I256 PolarHBondContact N-O 2.77Å; N225-I256 WeakPolarHBondContact O-CA 3.39Å; Y226-I256 HydrophobicContact CD1-CD1 4.48Å; E254-I256 PolarHBondContact O-N 2.84Å; I256-V265 HydrophobicContact CD1-CB 4.5Å; I256-V265 HydrophobicContact CD1-CG1 3.77Å; I256-V265 HydrophobicContact CG1-CB 4Å; I256-V265 HydrophobicContact CG1-CG1 3.77Å; I256-V265 VanDerWaalsContact CG1-O 3.3Å; I256-V265 WeakPolarHBondContact CG1-O 3.33Å; I256-V265 PolarHBondContact N-O 2.82Å; I256-R267 HydrophobicContact CG2-CB 4.28Å; I256-T272 HydrophobicContact CD1-CG2 3.85Å; I256-Y324 HydrophobicContact CD1-CD1 4.48Å
257H94.4Very high95.5Very high14 Ų1429.3 Ų29.37%0.06517%0.167CC..EExtended strand (participates in β ladder)trans-153.7117.6175.5-165.2-177.7000111.4P222 P224 L259 W264 V265 Y324P222-H257 PolarHBondContact O-CD2 2.86Å; P222-H257 PolarHBondContact O-NE2 2.71Å; P224-H257 HydrophobicContact CB-CB 4.38Å; H257-L259 WeakPolarHBondContact CE1-CD2 3.46Å; H257-L259 WeakPolarHBondContact NE2-CD2 3.43Å; H257-L259 PolarHBondContact O-N 2.82Å; H257-W264 WeakPolarHBondContact O-CA 3.36Å; H257-W264 WeakPolarHBondContact O-CB 3.4Å; H257-V265 HydrophobicContact CB-CB 3.88Å; H257-V265 HydrophobicContact CB-CG2 3.98Å; H257-V265 PolarHBondContact N-O 3.06Å; H257-V265 PolarHBondContact O-N 3.08Å; H257-Y324 HydrophobicContact CB-CE1 4.35Å; H257-Y324 PolarHBondContact CE1-OH 2.78Å; H257-Y324 VanDerWaalsContact CE1-OH 3.28Å; H257-Y324 AromaticContact ND1-CE1 3.56Å; H257-Y324 AromaticContact ND1-CZ 3.49Å; H257-Y324 PolarHBondContact ND1-OH 2.85Å
258K92.1Very high95.4Very high41 Ų4131.8 Ų31.818%0.17818%0.178CC..  trans-95.765.6-175-65.3-177.1178.4166.20112.4P222 E229 Y231 V255 W264P222-K258 VanDerWaalsContact CD-O 3.29Å; P222-K258 WeakPolarHBondContact CD-O 3.3Å; P222-K258 HydrophobicContact CG-CB 4.01Å; P222-K258 WeakPolarHBondContact CG-O 3.43Å; E229-K258 VanDerWaalsContact CD-NZ 3.28Å; E229-K258 IonicContact OE1-NZ 2.69Å; E229-K258 PolarHBondContact OE1-NZ 2.88Å; E229-K258 IonicContact OE2-NZ 3.24Å; E229-K258 PolarHBondContact OE2-NZ 3.43Å; Y231-K258 WeakPolarHBondContact OH-CE 3.49Å; Y231-K258 PolarHBondContact OH-NZ 3.2Å; V255-K258 HydrophobicContact CG1-CG 3.71Å; K258-W264 VanDerWaalsContact CA-CD1 3.48Å; K258-W264 HydrophobicContact CB-CD2 4.16Å; K258-W264 HydrophobicContact CB-CG 4.48Å; K258-W264 HydrophobicContact CB-CZ2 3.89Å; K258-W264 HydrophobicContact CD-CH2 3.77Å; K258-W264 HydrophobicContact CD-CZ2 3.79Å; K258-W264 HydrophobicContact CD-CZ3 4.23Å; K258-W264 HydrophobicContact CG-CD2 3.84Å; K258-W264 HydrophobicContact CG-CE3 4.07Å; K258-W264 HydrophobicContact CG-CG 4.48Å; K258-W264 HydrophobicContact CG-CH2 3.94Å; K258-W264 HydrophobicContact CG-CZ2 3.69Å; K258-W264 HydrophobicContact CG-CZ3 4.12Å
259L88.4Confident94.9Very high4 Ų432.6 Ų32.62%0.02118%0.183CC..  trans-60142-179.2-68.4169.4000112.3D221 H257 D261 G262 W264 V265 Y274 R318D221-L259 HydrophobicContact CB-CD2 4.36Å; H257-L259 WeakPolarHBondContact CE1-CD2 3.46Å; H257-L259 WeakPolarHBondContact NE2-CD2 3.43Å; H257-L259 PolarHBondContact O-N 2.82Å; L259-D261 PolarHBondContact O-N 3.48Å; L259-G262 PolarHBondContact O-N 3.22Å; L259-W264 PolarHBondContact O-NE1 3.21Å; L259-V265 HydrophobicContact CD1-CG2 4.37Å; L259-Y274 HydrophobicContact CD1-CE1 3.96Å; L259-R318 VanDerWaalsContact CD1-NH2 3.33Å
260L91.3Very high94.2Very high24 Ų2432.9 Ų32.913%0.12619%0.188CC..THydrogen-bonded Turntrans-75.5-2.9-179.1-66.6179.1000114.1K188 G192 W194 E218 E220 D221K188-L260 HydrophobicContact CD-CD1 4.04Å; G192-L260 WeakPolarHBondContact CA-O 3.4Å; W194-L260 HydrophobicContact CZ2-CB 3.88Å; W194-L260 PolarHBondContact NE1-O 2.75Å; W194-L260 VanDerWaalsContact NE1-O 3.11Å; E218-L260 HydrophobicContact CG-CD1 4.45Å; E220-L260 HydrophobicContact CB-CD1 3.91Å; E220-L260 WeakPolarHBondContact O-CD1 3.15Å; D221-L260 WeakPolarHBondContact OD1-CB 3.45Å; D221-L260 PolarHBondContact OD1-N 2.91Å
261D91.1Very high93.9Very high11 Ų1134.6 Ų34.66%0.05919%0.187CC..THydrogen-bonded Turntrans-82.2-0.7172.770.84.4000113.7G192 L259 W263 R316 R318G192-D261 WeakPolarHBondContact CA-O 3.17Å; L259-D261 PolarHBondContact O-N 3.48Å; D261-W263 VanDerWaalsContact C-N 3.3Å; D261-W263 PolarHBondContact OD1-N 2.8Å; D261-R316 IonicContact OD2-NH1 3.76Å; D261-R318 IonicContact OD1-NH2 2.75Å; D261-R318 IonicContact OD2-CZ 2.75Å; D261-R318 VanDerWaalsContact OD2-CZ 3.24Å; D261-R318 IonicContact OD2-NH1 2.89Å; D261-R318 PolarHBondContact OD2-NH1 3.09Å; D261-R318 IonicContact OD2-NH2 3.29Å; D261-R318 PolarHBondContact OD2-NH2 3.34Å
262G93.3Very high93.8Very high0 Ų032.4 Ų32.40%018%0.178CC..SBendtrans85.7-2.417800000114.7E190 G192 L259 S277E190-G262 WeakPolarHBondContact O-CA 3.32Å; G192-G262 VanDerWaalsContact CA-N 3.33Å; L259-G262 PolarHBondContact O-N 3.22Å; G262-S277 PolarHBondContact O-N 3.45Å; G262-S277 PolarHBondContact O-OG 3.34Å
263W97.9Very high93.9Very high12 Ų1229.2 Ų29.25%0.04515%0.151CC..EExtended strand (participates in β ladder)trans-111.790.8179.9-70.384.3000109.5Y237 E244 D261 Y274 P276 A298 P299 R301Y237-W263 HydrophobicContact CE1-CH2 4.33Å; Y237-W263 HydrophobicContact CE1-CZ3 4.02Å; Y237-W263 HydrophobicContact CE2-CH2 4.08Å; Y237-W263 AromaticContact CZ-CH2 3.65Å; Y237-W263 AromaticContact CZ-CZ3 3.8Å; Y237-W263 VanDerWaalsContact OH-CH2 3.24Å; Y237-W263 WeakPolarHBondContact OH-CH2 3.47Å; Y237-W263 WeakPolarHBondContact OH-CZ3 3.28Å; E244-W263 HydrophobicContact CG-CZ3 4.27Å; D261-W263 VanDerWaalsContact C-N 3.3Å; D261-W263 PolarHBondContact OD1-N 2.8Å; W263-Y274 HydrophobicContact CB-CD1 4.28Å; W263-Y274 WeakPolarHBondContact O-CD1 3.38Å; W263-P276 HydrophobicContact CE3-CG 4.1Å; W263-P276 HydrophobicContact CH2-CG 3.68Å; W263-P276 HydrophobicContact CZ2-CG 4.17Å; W263-P276 HydrophobicContact CZ3-CG 3.63Å; W263-A298 HydrophobicContact CZ2-CB 4.26Å; W263-P299 PolarHBondContact NE1-O 3.28Å; W263-R301 HydrophobicContact CD2-CG 3.44Å; W263-R301 VanDerWaalsContact CD2-CG 3.44Å; W263-R301 HydrophobicContact CE3-CG 4.07Å; W263-R301 HydrophobicContact CG-CG 3.75Å; W263-R301 HydrophobicContact CH2-CG 4.08Å; W263-R301 HydrophobicContact CZ2-CG 3.5Å; W263-R301 HydrophobicContact CZ3-CG 4.34Å; W263-R301 VanDerWaalsContact NE1-CG 3.28Å
264W98.1Very high93.9Very high5 Ų529.2 Ų29.22%0.01915%0.151CC..EExtended strand (participates in β ladder)trans-74.9148-178.3-712000111.3E190 Y231 V255 H257 K258 L259 Y274 F275 S277 L280E190-W264 HydrophobicContact CB-CZ2 3.96Å; E190-W264 VanDerWaalsContact CD-CZ2 3.49Å; E190-W264 HydrophobicContact CG-CZ2 3.96Å; E190-W264 WeakPolarHBondContact OE2-CZ2 3.33Å; Y231-W264 HydrophobicContact CD1-CZ3 4.28Å; Y231-W264 HydrophobicContact CE1-CH2 4.27Å; Y231-W264 AromaticContact CE1-CZ3 3.71Å; Y231-W264 HydrophobicContact CE1-CZ3 3.71Å; Y231-W264 AromaticContact CZ-CZ3 3.9Å; V255-W264 HydrophobicContact CB-CE3 4.28Å; V255-W264 HydrophobicContact CG1-CB 4.44Å; V255-W264 HydrophobicContact CG1-CD2 4.1Å; V255-W264 HydrophobicContact CG1-CE3 3.49Å; V255-W264 VanDerWaalsContact CG1-CE3 3.49Å; V255-W264 HydrophobicContact CG1-CZ3 4.04Å; V255-W264 HydrophobicContact CG2-CE3 3.75Å; V255-W264 HydrophobicContact CG2-CZ3 4.08Å; H257-W264 WeakPolarHBondContact O-CA 3.36Å; H257-W264 WeakPolarHBondContact O-CB 3.4Å; K258-W264 VanDerWaalsContact CA-CD1 3.48Å; K258-W264 HydrophobicContact CB-CD2 4.16Å; K258-W264 HydrophobicContact CB-CG 4.48Å; K258-W264 HydrophobicContact CB-CZ2 3.89Å; K258-W264 HydrophobicContact CD-CH2 3.77Å; K258-W264 HydrophobicContact CD-CZ2 3.79Å; K258-W264 HydrophobicContact CD-CZ3 4.23Å; K258-W264 HydrophobicContact CG-CD2 3.84Å; K258-W264 HydrophobicContact CG-CE3 4.07Å; K258-W264 HydrophobicContact CG-CG 4.48Å; K258-W264 HydrophobicContact CG-CH2 3.94Å; K258-W264 HydrophobicContact CG-CZ2 3.69Å; K258-W264 HydrophobicContact CG-CZ3 4.12Å; L259-W264 PolarHBondContact O-NE1 3.21Å; W264-Y274 CarbonylContact O-C 3.58Å; W264-Y274 VanDerWaalsContact O-CA 3.3Å; W264-Y274 WeakPolarHBondContact O-CA 3.31Å; W264-F275 PolarHBondContact N-O 2.91Å; W264-F275 PolarHBondContact O-N 3.34Å; W264-S277 VanDerWaalsContact CD2-CB 3.41Å; W264-L280 HydrophobicContact CE3-CD1 4.12Å
265V97.8Very high94Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-84.9121.7169.1-171.10000107.9I256 H257 L259 G273 Y274 Y324I256-V265 HydrophobicContact CD1-CB 4.5Å; I256-V265 HydrophobicContact CD1-CG1 3.77Å; I256-V265 HydrophobicContact CG1-CB 4Å; I256-V265 HydrophobicContact CG1-CG1 3.77Å; I256-V265 VanDerWaalsContact CG1-O 3.3Å; I256-V265 WeakPolarHBondContact CG1-O 3.33Å; I256-V265 PolarHBondContact N-O 2.82Å; H257-V265 HydrophobicContact CB-CB 3.88Å; H257-V265 HydrophobicContact CB-CG2 3.98Å; H257-V265 PolarHBondContact N-O 3.06Å; H257-V265 PolarHBondContact O-N 3.08Å; L259-V265 HydrophobicContact CD1-CG2 4.37Å; V265-G273 WeakPolarHBondContact CA-O 3.28Å; V265-Y274 HydrophobicContact CG2-CD1 3.9Å; V265-Y274 HydrophobicContact CG2-CE1 3.49Å; V265-Y274 VanDerWaalsContact CG2-CE1 3.49Å; V265-Y324 HydrophobicContact CG1-CD1 4.27Å; V265-Y324 HydrophobicContact CG1-CD2 4.14Å; V265-Y324 HydrophobicContact CG1-CG 4Å; V265-Y324 HydrophobicContact CG2-CD2 4.14Å; V265-Y324 HydrophobicContact CG2-CE1 4.24Å; V265-Y324 HydrophobicContact CG2-CE2 3.75Å
266I98.3Very high94Very high0 Ų026 Ų260%014%0.135CC..EExtended strand (participates in β ladder)trans-112.6156.4175.561.4162.6000110.5V245 L247 V253 E254 V255 T272 G273 F275 L280V245-I266 HydrophobicContact CB-CD1 3.97Å; V245-I266 HydrophobicContact CB-CG1 4.46Å; V245-I266 HydrophobicContact CG1-CD1 4.11Å; V245-I266 HydrophobicContact CG2-CD1 4.08Å; V245-I266 HydrophobicContact CG2-CG1 4.05Å; L247-I266 HydrophobicContact CD1-CD1 3.79Å; V253-I266 HydrophobicContact CB-CB 4.44Å; V253-I266 HydrophobicContact CB-CD1 4.2Å; V253-I266 HydrophobicContact CG1-CD1 3.98Å; V253-I266 HydrophobicContact CG2-CB 4.4Å; V253-I266 HydrophobicContact CG2-CD1 4.27Å; V253-I266 HydrophobicContact CG2-CG2 4.25Å; E254-I266 CarbonylContact O-C 3.58Å; E254-I266 WeakPolarHBondContact O-CA 3.39Å; V255-I266 HydrophobicContact CG2-CG2 4.03Å; I266-T272 VanDerWaalsContact O-CA 3.24Å; I266-T272 WeakPolarHBondContact O-CA 3.3Å; I266-G273 WeakPolarHBondContact CG1-O 3.19Å; I266-G273 PolarHBondContact N-O 2.54Å; I266-G273 PolarHBondContact O-N 2.97Å; I266-G273 VanDerWaalsContact O-N 3.15Å; I266-F275 HydrophobicContact CD1-CB 3.6Å; I266-F275 HydrophobicContact CD1-CD2 4.26Å; I266-F275 HydrophobicContact CD1-CG 4.03Å; I266-F275 HydrophobicContact CG1-CB 3.89Å; I266-F275 HydrophobicContact CG2-CB 4.18Å; I266-L280 HydrophobicContact CG2-CD1 3.82Å
267R97.1Very high94Very high4 Ų426.2 Ų26.22%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-113.5124.4167.9175.1170.267.6-136.5-1.6108.4Y226 A227 E254 I256 D269 V271 T272 S328Y226-R267 PolarHBondContact O-NH1 2.97Å; A227-R267 PolarHBondContact O-NH2 2.9Å; E254-R267 HydrophobicContact CB-CB 4.3Å; E254-R267 PolarHBondContact N-O 2.81Å; E254-R267 PolarHBondContact O-N 3.39Å; E254-R267 IonicContact OE1-NH2 3.48Å; E254-R267 PolarHBondContact OE1-NH2 2.81Å; E254-R267 IonicContact OE2-CZ 2.75Å; E254-R267 IonicContact OE2-NE 2.67Å; E254-R267 PolarHBondContact OE2-NE 2.98Å; E254-R267 IonicContact OE2-NH2 3.89Å; E254-R267 PolarHBondContact OE2-NH2 3.3Å; I256-R267 HydrophobicContact CG2-CB 4.28Å; R267-D269 WeakPolarHBondContact CG-O 3.5Å; R267-V271 WeakPolarHBondContact CA-O 3.49Å; R267-T272 HydrophobicContact CB-CG2 4.34Å; R267-S328 WeakPolarHBondContact CD-OG 3.46Å; R267-S328 PolarHBondContact NH1-OG 3.11Å
268K94.5Very high94Very high56 Ų5626.8 Ų26.824%0.24314%0.14CC..EExtended strand (participates in β ladder)trans-121.7116.8167.4-166.8-168-170.7-171.70106.4L247 E251 V253 D270 V271L247-K268 HydrophobicContact CD2-CD 3.74Å; E251-K268 IonicContact OE1-NZ 3.55Å; E251-K268 PolarHBondContact OE1-NZ 3.49Å; E251-K268 IonicContact OE2-NZ 2.72Å; E251-K268 PolarHBondContact OE2-NZ 3.41Å; V253-K268 HydrophobicContact CG1-CB 4.24Å; V253-K268 HydrophobicContact CG1-CG 4.25Å; K268-D270 PolarHBondContact O-N 2.83Å; K268-V271 PolarHBondContact N-O 3.12Å; K268-V271 PolarHBondContact O-N 2.89Å
269D87.1Confident94.2Very high137 Ų13725.7 Ų25.773%0.73314%0.135SC*.THydrogen-bonded Turntrans54.5-118.4-171.8-50.5-52000111.4R267R267-D269 WeakPolarHBondContact CG-O 3.5Å
270D81.9Confident94.6Very high122 Ų12225.9 Ų25.965%0.65214%0.136SC*.THydrogen-bonded Turntrans-101.14.9179.7-68.8-45.8000113.7K268K268-D270 PolarHBondContact O-N 2.83Å
271V87.8Confident94.8Very high93 Ų9326.3 Ų26.356%0.56414%0.138SC*.EExtended strand (participates in β ladder)trans-106138.5-178.1-177.20000110.4R267 K268R267-V271 WeakPolarHBondContact CA-O 3.49Å; K268-V271 PolarHBondContact N-O 3.12Å; K268-V271 PolarHBondContact O-N 2.89Å
272T95.9Very high94.9Very high12 Ų1230 Ų307%0.07415%0.153CC..EExtended strand (participates in β ladder)trans-112.6142169.859.50000110.4I256 I266 R267 Q321 R325I256-T272 HydrophobicContact CD1-CG2 3.85Å; I266-T272 VanDerWaalsContact O-CA 3.24Å; I266-T272 WeakPolarHBondContact O-CA 3.3Å; R267-T272 HydrophobicContact CB-CG2 4.34Å; T272-Q321 VanDerWaalsContact C-OE1 3.23Å; T272-Q321 PolarHBondContact O-OE1 3.21Å; T272-Q321 PolarHBondContact OG1-O 2.9Å; T272-Q321 PolarHBondContact OG1-OE1 2.92Å; T272-R325 HydrophobicContact CG2-CB 4.48Å; T272-R325 PolarHBondContact OG1-N 2.78Å
273G97.6Very high94.8Very high1 Ų132.2 Ų32.21%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-163.8173.7176.600000111.4D243 V265 I266D243-G273 CarbonylContact O-C 3.59Å; D243-G273 VanDerWaalsContact O-CA 3.31Å; D243-G273 WeakPolarHBondContact O-CA 3.09Å; V265-G273 WeakPolarHBondContact CA-O 3.28Å; I266-G273 WeakPolarHBondContact CG1-O 3.19Å; I266-G273 PolarHBondContact N-O 2.54Å; I266-G273 PolarHBondContact O-N 2.97Å; I266-G273 VanDerWaalsContact O-N 3.15Å
274Y98.4Very high94.2Very high7 Ų735.9 Ų35.93%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-82.4143.7176.6-65.5-67.7000111.5D243 E244 V245 L259 W263 W264 V265 R318 Q321D243-Y274 HydrophobicContact CB-CD2 4.16Å; D243-Y274 HydrophobicContact CB-CE2 4.36Å; D243-Y274 WeakPolarHBondContact O-CD2 3.34Å; D243-Y274 PolarHBondContact O-N 3.04Å; D243-Y274 VanDerWaalsContact OD2-CD2 3.3Å; D243-Y274 WeakPolarHBondContact OD2-CD2 3.37Å; D243-Y274 WeakPolarHBondContact OD2-CE2 3.43Å; E244-Y274 WeakPolarHBondContact CA-O 3.28Å; V245-Y274 PolarHBondContact N-O 2.85Å; L259-Y274 HydrophobicContact CD1-CE1 3.96Å; W263-Y274 HydrophobicContact CB-CD1 4.28Å; W263-Y274 WeakPolarHBondContact O-CD1 3.38Å; W264-Y274 CarbonylContact O-C 3.58Å; W264-Y274 VanDerWaalsContact O-CA 3.3Å; W264-Y274 WeakPolarHBondContact O-CA 3.31Å; V265-Y274 HydrophobicContact CG2-CD1 3.9Å; V265-Y274 HydrophobicContact CG2-CE1 3.49Å; V265-Y274 VanDerWaalsContact CG2-CE1 3.49Å; Y274-R318 PolarHBondContact OH-NE 2.58Å; Y274-Q321 VanDerWaalsContact CZ-NE2 3.34Å
275F98.3Very high93.7Very high0 Ų040.7 Ų40.70%023%0.233CC..EExtended strand (participates in β ladder)trans-145.4142.5172.4-164-92.4000110.7Y237 V245 L247 W264 I266 S277 L280Y237-F275 AromaticContact CD1-CD2 4Å; Y237-F275 HydrophobicContact CD1-CD2 4Å; Y237-F275 AromaticContact CD1-CE2 3.77Å; Y237-F275 HydrophobicContact CD1-CE2 3.77Å; Y237-F275 HydrophobicContact CG-CE2 4.14Å; V245-F275 HydrophobicContact CB-CD2 4.5Å; V245-F275 VanDerWaalsContact O-CD2 3.24Å; V245-F275 WeakPolarHBondContact O-CD2 3.45Å; L247-F275 HydrophobicContact CB-CD2 4.4Å; L247-F275 HydrophobicContact CB-CE2 3.53Å; L247-F275 HydrophobicContact CB-CZ 3.82Å; L247-F275 HydrophobicContact CD1-CD1 4.26Å; L247-F275 HydrophobicContact CD1-CD2 3.65Å; L247-F275 HydrophobicContact CD1-CE1 4.07Å; L247-F275 HydrophobicContact CD1-CE2 3.47Å; L247-F275 VanDerWaalsContact CD1-CE2 3.47Å; L247-F275 HydrophobicContact CD1-CG 4.05Å; L247-F275 HydrophobicContact CD1-CZ 3.69Å; L247-F275 HydrophobicContact CG-CD2 3.89Å; L247-F275 HydrophobicContact CG-CE2 3.51Å; L247-F275 HydrophobicContact CG-CZ 4.08Å; W264-F275 PolarHBondContact N-O 2.91Å; W264-F275 PolarHBondContact O-N 3.34Å; I266-F275 HydrophobicContact CD1-CB 3.6Å; I266-F275 HydrophobicContact CD1-CD2 4.26Å; I266-F275 HydrophobicContact CD1-CG 4.03Å; I266-F275 HydrophobicContact CG1-CB 3.89Å; I266-F275 HydrophobicContact CG2-CB 4.18Å; F275-S277 PolarHBondContact O-N 2.92Å; F275-L280 HydrophobicContact CD1-CD1 3.82Å; F275-L280 HydrophobicContact CD1-CD2 3.63Å; F275-L280 HydrophobicContact CD1-CG 3.56Å; F275-L280 HydrophobicContact CE1-CD2 3.67Å; F275-L280 HydrophobicContact CE1-CG 3.86Å
276P97.8Very high93.1Very high0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-60.9121.7178.8-2333.2000111.9Y237 W263 M278 Y279 A298Y237-P276 HydrophobicContact CD1-CG 4.36Å; Y237-P276 HydrophobicContact CD2-CG 4.16Å; Y237-P276 HydrophobicContact CE1-CG 4.47Å; Y237-P276 HydrophobicContact CE2-CG 4.3Å; Y237-P276 HydrophobicContact CG-CG 4.21Å; W263-P276 HydrophobicContact CE3-CG 4.1Å; W263-P276 HydrophobicContact CH2-CG 3.68Å; W263-P276 HydrophobicContact CZ2-CG 4.17Å; W263-P276 HydrophobicContact CZ3-CG 3.63Å; P276-M278 VanDerWaalsContact C-N 3.27Å; P276-M278 HydrophobicContact CB-CG 4.26Å; P276-M278 PolarHBondContact O-N 2.9Å; P276-Y279 HydrophobicContact CB-CD2 3.67Å; P276-Y279 HydrophobicContact CB-CE2 4.08Å; P276-Y279 HydrophobicContact CB-CG 4.07Å; P276-Y279 HydrophobicContact CG-CD2 3.76Å; P276-Y279 HydrophobicContact CG-CE2 4.02Å; P276-Y279 PolarHBondContact O-N 2.84Å; P276-A298 HydrophobicContact CB-CB 3.84Å; P276-A298 HydrophobicContact CG-CB 3.96Å
277S96.1Very high92.4Very high8 Ų847.1 Ų47.16%0.05627%0.269CS..G310 helixtrans-58.8-39.4-177.962.20000112.6E190 S191 G262 W264 F275 Y279 L280E190-S277 PolarHBondContact O-OG 3.01Å; S191-S277 WeakPolarHBondContact CA-OG 3.36Å; G262-S277 PolarHBondContact O-N 3.45Å; G262-S277 PolarHBondContact O-OG 3.34Å; W264-S277 VanDerWaalsContact CD2-CB 3.41Å; F275-S277 PolarHBondContact O-N 2.92Å; S277-Y279 PolarHBondContact O-N 3.42Å; S277-Y279 VanDerWaalsContact O-N 3.08Å; S277-L280 PolarHBondContact O-N 3.08Å
278M94.3Very high91.8Very high25 Ų2549.9 Ų49.912%0.12329%0.289CS..G310 helixtrans-64.1-12.9178.856.81574300114.8P276 I294 R296 G297 A298P276-M278 VanDerWaalsContact C-N 3.27Å; P276-M278 HydrophobicContact CB-CG 4.26Å; P276-M278 PolarHBondContact O-N 2.9Å; M278-I294 VanDerWaalsContact O-CD1 3.31Å; M278-I294 WeakPolarHBondContact O-CD1 3.34Å; M278-I294 HydrophobicContact SD-CG2 4.39Å; M278-R296 HydrophobicContact CE-CG 3.94Å; M278-R296 WeakPolarHBondContact CE-O 3.3Å; M278-G297 WeakPolarHBondContact CE-O 3.23Å; M278-A298 WeakPolarHBondContact SD-CA 3.43Å; M278-A298 HydrophobicContact SD-CB 4.21Å; M278-A298 PolarHBondContact SD-N 3.23Å
279Y96.6Very high91.1Very high19 Ų1952.9 Ų52.98%0.07530%0.304CS..G310 helixtrans-100.99.5176.6-60.6-15.1000111.9A233 I234 K235 Y237 P276 S277 I294 A298A233-Y279 CarbonylContact C-O 3.59Å; A233-Y279 WeakPolarHBondContact CA-O 3.23Å; I234-Y279 VanDerWaalsContact CG1-C 3.49Å; I234-Y279 WeakPolarHBondContact CG1-O 3.49Å; I234-Y279 PolarHBondContact N-O 2.96Å; K235-Y279 HydrophobicContact CB-CD1 4.04Å; K235-Y279 HydrophobicContact CB-CG 4.04Å; K235-Y279 HydrophobicContact CD-CD1 3.78Å; K235-Y279 HydrophobicContact CD-CE1 3.55Å; K235-Y279 HydrophobicContact CD-CE2 4.37Å; K235-Y279 HydrophobicContact CD-CG 4.3Å; K235-Y279 HydrophobicContact CG-CD1 4.42Å; K235-Y279 PolarHBondContact NZ-OH 3.28Å; Y237-Y279 HydrophobicContact CD2-CE2 4.22Å; P276-Y279 HydrophobicContact CB-CD2 3.67Å; P276-Y279 HydrophobicContact CB-CE2 4.08Å; P276-Y279 HydrophobicContact CB-CG 4.07Å; P276-Y279 HydrophobicContact CG-CD2 3.76Å; P276-Y279 HydrophobicContact CG-CE2 4.02Å; P276-Y279 PolarHBondContact O-N 2.84Å; S277-Y279 PolarHBondContact O-N 3.42Å; S277-Y279 VanDerWaalsContact O-N 3.08Å; Y279-I294 HydrophobicContact CD1-CD1 4.16Å; Y279-I294 HydrophobicContact CE1-CG2 4.42Å; Y279-A298 HydrophobicContact CE2-CB 4.12Å; Y279-A298 PolarHBondContact OH-N 2.91Å
280L95.8Very high90.6Very high8 Ų846.5 Ų46.54%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-117142.7176.8-62.5172000110.5Y231 V232 L247 V253 V255 W264 I266 F275 S277Y231-L280 HydrophobicContact CD1-CB 3.84Å; V232-L280 WeakPolarHBondContact O-CA 3.28Å; L247-L280 HydrophobicContact CD1-CD2 4.4Å; V253-L280 HydrophobicContact CG2-CD2 3.81Å; V255-L280 HydrophobicContact CG2-CD1 3.97Å; W264-L280 HydrophobicContact CE3-CD1 4.12Å; I266-L280 HydrophobicContact CG2-CD1 3.82Å; F275-L280 HydrophobicContact CD1-CD1 3.82Å; F275-L280 HydrophobicContact CD1-CD2 3.63Å; F275-L280 HydrophobicContact CD1-CG 3.56Å; F275-L280 HydrophobicContact CE1-CD2 3.67Å; F275-L280 HydrophobicContact CE1-CG 3.86Å; S277-L280 PolarHBondContact O-N 3.08Å
281Q94.5Very high90.6Very high33 Ų3344.2 Ų44.215%0.15426%0.256CS..EExtended strand (participates in β ladder)trans-128.1143169.8-170.763.819.500110.1Y231 V232 I234 S283 Q285 A290Y231-Q281 CarbonylContact C-O 3.48Å; Y231-Q281 VanDerWaalsContact CA-O 3.23Å; Y231-Q281 WeakPolarHBondContact CA-O 3.4Å; Y231-Q281 WeakPolarHBondContact CB-O 3.34Å; Y231-Q281 WeakPolarHBondContact CD1-O 3.47Å; V232-Q281 HydrophobicContact CG2-CB 4.41Å; V232-Q281 PolarHBondContact N-O 3.27Å; V232-Q281 PolarHBondContact O-N 3.39Å; I234-Q281 HydrophobicContact CD1-CB 4.41Å; I234-Q281 HydrophobicContact CG2-CB 3.4Å; I234-Q281 VanDerWaalsContact CG2-CB 3.4Å; I234-Q281 HydrophobicContact CG2-CG 4.49Å; Q281-S283 PolarHBondContact O-N 2.86Å; Q281-Q285 HydrophobicContact CG-CB 4.01Å; Q281-A290 HydrophobicContact CB-CB 4.18Å; Q281-A290 VanDerWaalsContact CD-CB 3.46Å; Q281-A290 HydrophobicContact CG-CB 3.91Å
282K93.9Very high90.2Very high87 Ų8749.7 Ų49.738%0.37827%0.266SS..EExtended strand (participates in β ladder)trans-59.9134.2176.9-169.7167.6-175161.50110.1E229 Y231 G284 Q285E229-K282 IonicContact OE2-NZ 2.87Å; Y231-K282 HydrophobicContact CD1-CB 4.36Å; Y231-K282 VanDerWaalsContact CD1-N 3.27Å; Y231-K282 HydrophobicContact CE1-CB 3.99Å; Y231-K282 HydrophobicContact CE2-CB 4.35Å; Y231-K282 HydrophobicContact CE2-CG 4.31Å; K282-G284 PolarHBondContact O-N 3.49Å; K282-Q285 HydrophobicContact CB-CG 4.33Å; K282-Q285 WeakPolarHBondContact O-CB 3.26Å; K282-Q285 PolarHBondContact O-N 2.87Å
283S91.8Very high89.3Confident48 Ų4855.8 Ų55.834%0.33629%0.294SS..THydrogen-bonded Turntrans-57.9134.9-176.8-58.70000111.5P230 Y231 Q281P230-S283 VanDerWaalsContact C-OG 3.24Å; P230-S283 PolarHBondContact O-N 3.47Å; P230-S283 PolarHBondContact O-OG 3.23Å; Y231-S283 WeakPolarHBondContact CA-OG 3.22Å; Y231-S283 PolarHBondContact N-OG 3.4Å; Q281-S283 PolarHBondContact O-N 2.86Å
284G85.8Confident88.5Confident89 Ų8957.8 Ų57.892%0.91830%0.304SS*.THydrogen-bonded Turntrans86.54.9-178.200000115.4K282K282-G284 PolarHBondContact O-N 3.49Å
285Q87.1Confident87.5Confident105 Ų10566.5 Ų66.549%0.49134%0.342SS..SBendtrans-98.2163.4171.1-61.6-168.73.200112.3Q281 K282 V287Q281-Q285 HydrophobicContact CG-CB 4.01Å; K282-Q285 HydrophobicContact CB-CG 4.33Å; K282-Q285 WeakPolarHBondContact O-CB 3.26Å; K282-Q285 PolarHBondContact O-N 2.87Å; Q285-V287 PolarHBondContact O-N 3.13Å
286D85.5Confident86.8Confident85 Ų8568.4 Ų68.446%0.45535%0.349SS..  trans-71.6110-178.8-173.9-11.2000111.8S288 Q289 A290D286-S288 VanDerWaalsContact C-N 3.28Å; D286-S288 PolarHBondContact O-N 3.25Å; D286-S288 VanDerWaalsContact OD1-CB 3.31Å; D286-S288 WeakPolarHBondContact OD1-CB 3.5Å; D286-S288 PolarHBondContact OD1-N 3.46Å; D286-Q289 HydrophobicContact CB-CB 4.46Å; D286-Q289 HydrophobicContact CB-CG 4.23Å; D286-Q289 PolarHBondContact O-N 3.13Å; D286-A290 PolarHBondContact O-N 2.73Å
287V83.6Confident86.4Confident50 Ų5070.3 Ų70.330%0.30337%0.369SS..Hα-helixtrans-60.8-35.3178.7175.30000112I234 Q285 Q289 A290 Q291I234-V287 HydrophobicContact CB-CG1 4.01Å; I234-V287 HydrophobicContact CG2-CB 4.3Å; I234-V287 HydrophobicContact CG2-CG1 3.69Å; I234-V287 HydrophobicContact CG2-CG2 4.09Å; Q285-V287 PolarHBondContact O-N 3.13Å; V287-Q289 VanDerWaalsContact C-N 3.32Å; V287-Q289 PolarHBondContact O-N 3.23Å; V287-A290 PolarHBondContact O-N 3.18Å; V287-Q291 HydrophobicContact CG1-CG 4.28Å; V287-Q291 WeakPolarHBondContact O-CG 3.42Å; V287-Q291 PolarHBondContact O-N 3.09Å
288S82.7Confident86.2Confident63 Ų6371.1 Ų71.144%0.44138%0.376SS..Hα-helixtrans-67.3-35.6-177-60.70000111.7D286 R292D286-S288 VanDerWaalsContact C-N 3.28Å; D286-S288 PolarHBondContact O-N 3.25Å; D286-S288 VanDerWaalsContact OD1-CB 3.31Å; D286-S288 WeakPolarHBondContact OD1-CB 3.5Å; D286-S288 PolarHBondContact OD1-N 3.46Å; S288-R292 VanDerWaalsContact O-CG 3.32Å; S288-R292 WeakPolarHBondContact O-CG 3.2Å; S288-R292 PolarHBondContact O-N 2.78Å
289Q79.9Confident86.2Confident118 Ų11870 Ų7055%0.55137%0.371SS*.Hα-helixtrans-68.3-42.4174.9-69-165.83.300111.4D286 V287 R292 Q293D286-Q289 HydrophobicContact CB-CB 4.46Å; D286-Q289 HydrophobicContact CB-CG 4.23Å; D286-Q289 PolarHBondContact O-N 3.13Å; V287-Q289 VanDerWaalsContact C-N 3.32Å; V287-Q289 PolarHBondContact O-N 3.23Å; Q289-R292 PolarHBondContact O-N 3.25Å; Q289-Q293 WeakPolarHBondContact O-CG 3.45Å; Q289-Q293 PolarHBondContact O-N 2.83Å
290A78.4Confident86.1Confident4 Ų470.8 Ų70.83%0.03338%0.378CS..Hα-helixtrans-62.9-44.4179.700000112I234 Q281 D286 V287 R292 Q293 I294I234-A290 HydrophobicContact CD1-CB 3.46Å; I234-A290 VanDerWaalsContact CD1-CB 3.46Å; Q281-A290 HydrophobicContact CB-CB 4.18Å; Q281-A290 VanDerWaalsContact CD-CB 3.46Å; Q281-A290 HydrophobicContact CG-CB 3.91Å; D286-A290 PolarHBondContact O-N 2.73Å; V287-A290 PolarHBondContact O-N 3.18Å; A290-R292 VanDerWaalsContact C-N 3.28Å; A290-R292 PolarHBondContact O-N 3.33Å; A290-Q293 WeakPolarHBondContact O-CB 3.41Å; A290-Q293 PolarHBondContact O-N 3.15Å; A290-I294 PolarHBondContact O-N 3.09Å
291Q81.3Confident86.1Confident74 Ų7471.1 Ų71.135%0.34638%0.379SS..Hα-helixtrans-60.2-36.8176.2-73.7176.7-16.600112.4I234 E249 V287 Q293 I294I234-Q291 HydrophobicContact CB-CG 4.36Å; I234-Q291 PolarHBondContact O-NE2 2.89Å; E249-Q291 PolarHBondContact OE1-NE2 3.49Å; V287-Q291 HydrophobicContact CG1-CG 4.28Å; V287-Q291 WeakPolarHBondContact O-CG 3.42Å; V287-Q291 PolarHBondContact O-N 3.09Å; Q291-Q293 VanDerWaalsContact C-N 3.28Å; Q291-Q293 PolarHBondContact O-N 3.48Å; Q291-I294 PolarHBondContact O-N 3.15Å
292R79.8Confident86.1Confident207 Ų20772.9 Ų72.978%0.78138%0.384SS*.Hα-helixtrans-68.7-23.9175.5-70.3173.5-173.9-171.63.1113.6S288 Q289 A290 I294S288-R292 VanDerWaalsContact O-CG 3.32Å; S288-R292 WeakPolarHBondContact O-CG 3.2Å; S288-R292 PolarHBondContact O-N 2.78Å; Q289-R292 PolarHBondContact O-N 3.25Å; A290-R292 VanDerWaalsContact C-N 3.28Å; A290-R292 PolarHBondContact O-N 3.33Å; R292-I294 VanDerWaalsContact C-N 3.3Å
293Q75.6Confident86.1Confident140 Ų14071.8 Ų71.865%0.65439%0.388SS*.Hα-helixtrans-77.6-18177.2-68176.112.500112.4Q289 A290 Q291 K295Q289-Q293 WeakPolarHBondContact O-CG 3.45Å; Q289-Q293 PolarHBondContact O-N 2.83Å; A290-Q293 WeakPolarHBondContact O-CB 3.41Å; A290-Q293 PolarHBondContact O-N 3.15Å; Q291-Q293 VanDerWaalsContact C-N 3.28Å; Q291-Q293 PolarHBondContact O-N 3.48Å; Q293-K295 PolarHBondContact O-N 2.86Å
294I81.2Confident86.2Confident43 Ų4372.6 Ų72.622%0.22139%0.393CS..  trans-73.592175.9-54172.9000109.4I234 M278 Y279 A290 Q291 R292 R296I234-I294 HydrophobicContact CD1-CD1 4.06Å; M278-I294 VanDerWaalsContact O-CD1 3.31Å; M278-I294 WeakPolarHBondContact O-CD1 3.34Å; M278-I294 HydrophobicContact SD-CG2 4.39Å; Y279-I294 HydrophobicContact CD1-CD1 4.16Å; Y279-I294 HydrophobicContact CE1-CG2 4.42Å; A290-I294 PolarHBondContact O-N 3.09Å; Q291-I294 PolarHBondContact O-N 3.15Å; R292-I294 VanDerWaalsContact C-N 3.3Å; I294-R296 VanDerWaalsContact CG2-O 3.3Å; I294-R296 WeakPolarHBondContact CG2-O 3.3Å
295K77Confident86.6Confident190 Ų19069.4 Ų69.483%0.82636%0.355SS*.  trans-93-6.6178.1-64.5-178-178178.90114.1Q293Q293-K295 PolarHBondContact O-N 2.86Å
296R85.2Confident86.7Confident40 Ų4075.7 Ų75.715%0.15137%0.374CS..SBendtrans-153.4160.7-170.556.4-177.568.7-125.3-4.9109.9S173 E174 W193 W204 M278 I294S173-R296 PolarHBondContact OG-NH2 3.25Å; E174-R296 IonicContact OE1-NH1 3.92Å; W193-R296 VanDerWaalsContact CE3-NH1 3.3Å; W193-R296 HydrophobicContact CG-CG 4.37Å; W204-R296 VanDerWaalsContact CB-CZ 3.48Å; W204-R296 VanDerWaalsContact CG-CZ 3.46Å; M278-R296 HydrophobicContact CE-CG 3.94Å; M278-R296 WeakPolarHBondContact CE-O 3.3Å; I294-R296 VanDerWaalsContact CG2-O 3.3Å; I294-R296 WeakPolarHBondContact CG2-O 3.3Å
297G87.9Confident86.8Confident40 Ų4077.6 Ų77.641%0.41238%0.384SS..PPolyproline II helixtrans-69.3170.1174.300000112.9W193 M278W193-G297 PolarHBondContact NE1-O 3.43Å; M278-G297 WeakPolarHBondContact CE-O 3.23Å
298A93.3Very high87.2Confident26 Ų2677.7 Ų77.722%0.21539%0.39CS..PPolyproline II helixtrans-55.7137.1171.200000109.8W263 P276 M278 Y279W263-A298 HydrophobicContact CZ2-CB 4.26Å; P276-A298 HydrophobicContact CB-CB 3.84Å; P276-A298 HydrophobicContact CG-CB 3.96Å; M278-A298 WeakPolarHBondContact SD-CA 3.43Å; M278-A298 HydrophobicContact SD-CB 4.21Å; M278-A298 PolarHBondContact SD-N 3.23Å; Y279-A298 HydrophobicContact CE2-CB 4.12Å; Y279-A298 PolarHBondContact OH-N 2.91Å
299P93.9Very high87.6Confident0 Ų079.3 Ų79.30%039%0.391CS..PPolyproline II helixtrans-63.5142.4177.429-35.2000109.5S191 W193 P206 W263S191-P299 WeakPolarHBondContact O-CD 3.18Å; S191-P299 WeakPolarHBondContact O-CG 3.38Å; W193-P299 HydrophobicContact CD2-CB 4.4Å; W193-P299 HydrophobicContact CZ2-CB 4.37Å; P206-P299 HydrophobicContact CB-CB 4.26Å; W263-P299 PolarHBondContact NE1-O 3.28Å
300P95.1Very high88.1Confident37 Ų3776.6 Ų76.624%0.2438%0.384CS..PPolyproline II helixtrans-58.8144.2174.525.5-36.2000111Y167 P206 S208 F209Y167-P300 HydrophobicContact CE2-CG 4.47Å; P206-P300 HydrophobicContact CB-CG 3.8Å; P206-P300 HydrophobicContact CG-CG 3.65Å; S208-P300 VanDerWaalsContact CB-O 3.22Å; S208-P300 WeakPolarHBondContact CB-O 3.36Å; S208-P300 PolarHBondContact OG-O 3.3Å; F209-P300 HydrophobicContact CD2-CG 4.06Å; F209-P300 HydrophobicContact CE2-CB 3.83Å; F209-P300 HydrophobicContact CE2-CG 3.43Å; F209-P300 VanDerWaalsContact CE2-CG 3.43Å; F209-P300 HydrophobicContact CZ-CB 4.49Å; F209-P300 HydrophobicContact CZ-CG 4.21Å
301R95.9Very high88.3Confident14 Ų1480.1 Ų80.15%0.05340%0.402CS..PPolyproline II helixtrans-79.8153.5177.5-68.6-175.871.2-153.3-9.1111.5E241 D243 E244 W263 S303 S304E241-R301 IonicContact OE2-CZ 3.67Å; E241-R301 IonicContact OE2-NH1 2.96Å; E241-R301 PolarHBondContact OE2-NH1 2.79Å; E241-R301 IonicContact OE2-NH2 3.53Å; D243-R301 IonicContact OD1-CZ 3.95Å; D243-R301 IonicContact OD1-NH1 3.24Å; D243-R301 PolarHBondContact OD1-NH1 2.83Å; D243-R301 IonicContact OD1-NH2 3.76Å; D243-R301 PolarHBondContact OD1-NH2 2.83Å; D243-R301 IonicContact OD2-CZ 3.26Å; D243-R301 IonicContact OD2-NH1 3.25Å; D243-R301 IonicContact OD2-NH2 2.79Å; D243-R301 PolarHBondContact OD2-NH2 3.15Å; E244-R301 WeakPolarHBondContact OE1-CD 3.47Å; E244-R301 IonicContact OE1-CZ 3.68Å; E244-R301 IonicContact OE1-NE 2.87Å; E244-R301 IonicContact OE1-NH1 2.58Å; E244-R301 PolarHBondContact OE1-NH1 3.3Å; W263-R301 HydrophobicContact CD2-CG 3.44Å; W263-R301 VanDerWaalsContact CD2-CG 3.44Å; W263-R301 HydrophobicContact CE3-CG 4.07Å; W263-R301 HydrophobicContact CG-CG 3.75Å; W263-R301 HydrophobicContact CH2-CG 4.08Å; W263-R301 HydrophobicContact CZ2-CG 3.5Å; W263-R301 HydrophobicContact CZ3-CG 4.34Å; W263-R301 VanDerWaalsContact NE1-CG 3.28Å; R301-S303 WeakPolarHBondContact CB-OG 3.31Å; R301-S303 PolarHBondContact O-N 3.39Å; R301-S304 WeakPolarHBondContact O-CB 3.4Å; R301-S304 PolarHBondContact O-N 3.1Å; R301-S304 VanDerWaalsContact O-N 3.11Å; R301-S304 PolarHBondContact O-OG 2.8Å
302R93.7Very high88.1Confident70 Ų7078.5 Ų78.526%0.26439%0.394SS..G310 helixtrans-61-32.6173.1-179.3167.1-68.1-139.50.7112.6I164 S208 L210 S304 I305I164-R302 HydrophobicContact CD1-CG 4.34Å; S208-R302 VanDerWaalsContact O-CZ 3.29Å; S208-R302 PolarHBondContact O-NE 3Å; S208-R302 PolarHBondContact O-NH2 3.41Å; L210-R302 PolarHBondContact O-NH2 2.74Å; R302-S304 PolarHBondContact O-N 2.86Å; R302-I305 HydrophobicContact CG-CD1 4.38Å; R302-I305 WeakPolarHBondContact O-CB 3.22Å; R302-I305 PolarHBondContact O-N 3.4Å; R302-I305 VanDerWaalsContact O-N 3.13Å
303S94.3Very high88.3Confident65 Ų6578.3 Ų78.346%0.45540%0.402SS..G310 helixtrans-63.3-27.8175.941.20000113.2E241 R301 I305E241-S303 WeakPolarHBondContact OE1-CB 3.41Å; E241-S303 PolarHBondContact OE1-OG 2.86Å; E241-S303 WeakPolarHBondContact OE2-CB 3.49Å; E241-S303 PolarHBondContact OE2-OG 2.78Å; R301-S303 WeakPolarHBondContact CB-OG 3.31Å; R301-S303 PolarHBondContact O-N 3.39Å; S303-I305 PolarHBondContact O-N 2.77Å
304S93.4Very high88.7Confident64 Ų6481.6 Ų81.645%0.44841%0.409SS..G310 helixtrans-72-11.5174.474.10000114.3R301 R302 R306R301-S304 WeakPolarHBondContact O-CB 3.4Å; R301-S304 PolarHBondContact O-N 3.1Å; R301-S304 VanDerWaalsContact O-N 3.11Å; R301-S304 PolarHBondContact O-OG 2.8Å; R302-S304 PolarHBondContact O-N 2.86Å; S304-R306 PolarHBondContact O-N 3Å
305I93.9Very high88.9Confident22 Ų2284.7 Ų84.711%0.11344%0.435CS..  trans-83.7112.3-179.3-54.3175.4000109.7I164 A165 F209 R302 S303 A308I164-I305 HydrophobicContact CD1-CD1 3.77Å; I164-I305 HydrophobicContact CG1-CD1 4.43Å; A165-I305 HydrophobicContact CB-CG2 3.44Å; A165-I305 VanDerWaalsContact CB-CG2 3.44Å; F209-I305 HydrophobicContact CD1-CD1 4.14Å; F209-I305 HydrophobicContact CD2-CD1 3.72Å; F209-I305 HydrophobicContact CD2-CG1 4.35Å; F209-I305 HydrophobicContact CE1-CD1 4.12Å; F209-I305 HydrophobicContact CE1-CG1 4.2Å; F209-I305 HydrophobicContact CE2-CD1 3.66Å; F209-I305 HydrophobicContact CE2-CG1 3.77Å; F209-I305 HydrophobicContact CG-CD1 3.95Å; F209-I305 HydrophobicContact CZ-CD1 3.9Å; F209-I305 HydrophobicContact CZ-CG1 3.71Å; R302-I305 HydrophobicContact CG-CD1 4.38Å; R302-I305 WeakPolarHBondContact O-CB 3.22Å; R302-I305 PolarHBondContact O-N 3.4Å; R302-I305 VanDerWaalsContact O-N 3.13Å; S303-I305 PolarHBondContact O-N 2.77Å; I305-A308 HydrophobicContact CG2-CB 3.89Å
306R89.1Confident89.1Confident237 Ų23778.7 Ų78.789%0.89441%0.406SS*.THydrogen-bonded Turntrans-67.1-46.8-177.1-67-176.5179.5-179.4-0.2113.9S304S304-R306 PolarHBondContact O-N 3Å
307N88.7Confident89Confident126 Ų12684.4 Ų84.467%0.67443%0.433SS*.THydrogen-bonded Turntrans-123.768.6-173.8-65.3-32.2000110.2H309N307-H309 PolarHBondContact O-CD2 2.8Å; N307-H309 VanDerWaalsContact O-CD2 3.22Å
308A91.8Very high88.9Confident51 Ų5186.5 Ų86.542%0.42143%0.428SS..  trans-75.2127.4175.200000110.9I164 I305I164-A308 HydrophobicContact CD1-CB 3.79Å; I164-A308 WeakPolarHBondContact O-CA 3.43Å; I305-A308 HydrophobicContact CG2-CB 3.89Å
309H91.1Very high88.5Confident98 Ų9888.7 Ų88.745%0.45444%0.436SS..  trans-112.893.8179.4-73.5-83.8000111.6R162 I164 M179 N307R162-H309 PolarHBondContact NH1-O 2.83Å; I164-H309 PolarHBondContact O-N 3.04Å; M179-H309 HydrophobicContact CG-CB 4.25Å; M179-H309 HydrophobicContact SD-CB 3.58Å; M179-H309 VanDerWaalsContact SD-CB 3.58Å; M179-H309 PolarHBondContact SD-CD2 2.8Å; N307-H309 PolarHBondContact O-CD2 2.8Å; N307-H309 VanDerWaalsContact O-CD2 3.22Å
310S89.8Confident88.5Confident60 Ų6092 Ų9242%0.4246%0.459SS..  trans-79.7145.1175.3-172.70000112.3E211 H312E211-S310 VanDerWaalsContact OE1-CA 3.31Å; E211-S310 WeakPolarHBondContact OE1-CA 3.45Å; E211-S310 WeakPolarHBondContact OE2-CA 3.43Å; E211-S310 WeakPolarHBondContact OE2-CB 3.32Å; E211-S310 PolarHBondContact OE2-OG 2.95Å; S310-H312 VanDerWaalsContact C-N 3.27Å; S310-H312 PolarHBondContact OG-N 2.95Å
311I82.6Confident88.4Confident79 Ų7991.6 Ų91.641%0.40545%0.454SS..SBendtrans-78.2-14.1165.663.8-176.1000112.9R162 E211 L213R162-I311 VanDerWaalsContact CD-CG2 3.42Å; R162-I311 VanDerWaalsContact NH1-CG2 3.25Å; E211-I311 WeakPolarHBondContact OE1-CG1 3.46Å; E211-I311 PolarHBondContact OE1-N 2.88Å; L213-I311 HydrophobicContact CD2-CD1 3.79Å
312H77.1Confident88.2Confident39 Ų3995.2 Ų95.218%0.18147%0.474CS..  trans-94.2132.5-175-59.7-64.4000110.6E211 P212 P216 S310 R314E211-H312 IonicContact OE2-CD2 2.78Å; P212-H312 PolarHBondContact O-NE2 2.61Å; P216-H312 HydrophobicContact CB-CB 3.94Å; P216-H312 HydrophobicContact CG-CB 4.15Å; S310-H312 VanDerWaalsContact C-N 3.27Å; S310-H312 PolarHBondContact OG-N 2.95Å; H312-R314 VanDerWaalsContact C-N 3.28Å
313Q83.2Confident88.1Confident203 Ų20392.4 Ų92.495%0.94947%0.466SS*.SBendtrans-72.8-24.4172.8-67.4-177.20.200112.6
314R84.4Confident88Confident209 Ų20989.5 Ų89.579%0.78945%0.445SS*.SBendtrans-93.9137.2178.5-66.4-179.7-177.5169.90.9109.6P216 H312P216-R314 HydrophobicContact CG-CB 4.43Å; P216-R314 WeakPolarHBondContact CG-O 3.24Å; H312-R314 VanDerWaalsContact C-N 3.28Å
315S85.7Confident87.9Confident109 Ų10991.3 Ų91.376%0.76244%0.442SS*.PPolyproline II helixtrans-71.5147.4173-51.70000111.5
316R82.3Confident87.8Confident63 Ų6396.1 Ų96.124%0.23846%0.459CS..PPolyproline II helixtrans-55.8136.1168.9178.4174.8177.6-138.92.9110.2P216 D221 D261 R318P216-R316 HydrophobicContact CB-CB 4.48Å; P216-R316 WeakPolarHBondContact O-CB 3.26Å; P216-R316 VanDerWaalsContact O-CG 3.31Å; P216-R316 WeakPolarHBondContact O-CG 3.39Å; D221-R316 IonicContact OD2-CZ 2.7Å; D221-R316 IonicContact OD2-NH2 3.96Å; D221-R316 PolarHBondContact OD2-NH2 3.34Å; D261-R316 IonicContact OD2-NH1 3.76Å; R316-R318 PolarHBondContact O-N 3.12Å
317K81.9Confident87.9Confident161 Ų16187.2 Ų87.270%0.743%0.429SS*.PPolyproline II helixtrans-74.4119.6172.9-65173.2-164.7137.30109.8D217D217-K317 PolarHBondContact OD1-N 2.9Å; D217-K317 WeakPolarHBondContact OD2-CD 3.36Å; D217-K317 WeakPolarHBondContact OD2-CE 3.44Å; D217-K317 IonicContact OD2-NZ 3.86Å; D217-K317 PolarHBondContact OD2-NZ 2.89Å
318R85.7Confident88Confident83 Ų8381.3 Ų81.331%0.31340%0.398SS..  trans-140.1132.9171.1-164.4167-176152.73.9108.8L259 D261 Y274 R316L259-R318 VanDerWaalsContact CD1-NH2 3.33Å; D261-R318 IonicContact OD1-NH2 2.75Å; D261-R318 IonicContact OD2-CZ 2.75Å; D261-R318 VanDerWaalsContact OD2-CZ 3.24Å; D261-R318 IonicContact OD2-NH1 2.89Å; D261-R318 PolarHBondContact OD2-NH1 3.09Å; D261-R318 IonicContact OD2-NH2 3.29Å; D261-R318 PolarHBondContact OD2-NH2 3.34Å; Y274-R318 PolarHBondContact OH-NE 2.58Å; R316-R318 PolarHBondContact O-N 3.12Å
319L86.1Confident88Confident73 Ų7380.9 Ų80.938%0.38239%0.39SS..  trans-68.7141.8174.9-63.9176000109.7A323 Y324L319-A323 HydrophobicContact CB-CB 4.2Å; L319-A323 HydrophobicContact CD2-CB 4.33Å; L319-Y324 HydrophobicContact CB-CD2 4.03Å; L319-Y324 HydrophobicContact CB-CE1 4.21Å; L319-Y324 HydrophobicContact CB-CE2 3.57Å; L319-Y324 HydrophobicContact CD1-CD1 4.24Å; L319-Y324 HydrophobicContact CD1-CE1 3.76Å; L319-Y324 WeakPolarHBondContact O-CE2 3.47Å
320S92.8Very high87.9Confident68 Ų6883.2 Ų83.248%0.47639%0.394SS..  trans-72.3159.4170.966.90000111.1D322 A323 Y324S320-D322 PolarHBondContact O-N 3.39Å; S320-A323 WeakPolarHBondContact O-CA 3.46Å; S320-A323 WeakPolarHBondContact O-CB 3.4Å; S320-A323 PolarHBondContact O-N 2.88Å; S320-A323 PolarHBondContact OG-N 2.95Å; S320-Y324 WeakPolarHBondContact O-CD2 3.49Å; S320-Y324 PolarHBondContact O-N 3.37Å
321Q93.5Very high87.8Confident30 Ų3084 Ų8414%0.1439%0.39CS..Hα-helixtrans-58.3-36.3175-71.5-56.7-20.200112.4D243 T272 Y274 A323 Y324 R325D243-Q321 HydrophobicContact CB-CG 3.72Å; T272-Q321 VanDerWaalsContact C-OE1 3.23Å; T272-Q321 PolarHBondContact O-OE1 3.21Å; T272-Q321 PolarHBondContact OG1-O 2.9Å; T272-Q321 PolarHBondContact OG1-OE1 2.92Å; Y274-Q321 VanDerWaalsContact CZ-NE2 3.34Å; Q321-A323 VanDerWaalsContact C-N 3.31Å; Q321-A323 PolarHBondContact O-N 3.13Å; Q321-Y324 PolarHBondContact O-N 2.9Å; Q321-R325 WeakPolarHBondContact O-CB 3.35Å; Q321-R325 PolarHBondContact O-N 3.12Å
322D91.1Very high88.1Confident89 Ų8981.8 Ų81.848%0.47638%0.379SS..Hα-helixtrans-64.9-31.3173.3-88.1-44.8000114.2S320 R325 R326S320-D322 PolarHBondContact O-N 3.39Å; D322-R325 IonicContact OD1-CZ 3.17Å; D322-R325 IonicContact OD1-NE 2.74Å; D322-R325 PolarHBondContact OD1-NE 3.01Å; D322-R325 IonicContact OD1-NH2 3.7Å; D322-R325 PolarHBondContact OD1-NH2 3.38Å; D322-R326 WeakPolarHBondContact O-CB 3.3Å; D322-R326 VanDerWaalsContact O-CG 3.24Å; D322-R326 WeakPolarHBondContact O-CG 3.44Å; D322-R326 PolarHBondContact O-N 3.2Å; D322-R326 VanDerWaalsContact O-N 3.07Å; D322-R326 PolarHBondContact O-NE 3.04Å
323A91.6Very high88.6Confident12 Ų1284.7 Ų84.710%0.09939%0.393CS..Hα-helixtrans-69.9-45.6173.100000110.6L319 S320 Q321 R325 R326 N327L319-A323 HydrophobicContact CB-CB 4.2Å; L319-A323 HydrophobicContact CD2-CB 4.33Å; S320-A323 WeakPolarHBondContact O-CA 3.46Å; S320-A323 WeakPolarHBondContact O-CB 3.4Å; S320-A323 PolarHBondContact O-N 2.88Å; S320-A323 PolarHBondContact OG-N 2.95Å; Q321-A323 VanDerWaalsContact C-N 3.31Å; Q321-A323 PolarHBondContact O-N 3.13Å; A323-R325 PolarHBondContact O-N 3.02Å; A323-R326 PolarHBondContact O-N 3Å; A323-N327 WeakPolarHBondContact O-CB 3.48Å; A323-N327 PolarHBondContact O-N 3.14Å; A323-N327 PolarHBondContact O-ND2 3.32Å
324Y91.8Very high88.7Confident4 Ų480.6 Ų80.62%0.01637%0.374CS..Hα-helixtrans-58.3-48.7174.5-77.1-64.1000112P224 Y226 I256 H257 V265 L319 S320 Q321 R326 N327 S328P224-Y324 HydrophobicContact CB-CE1 4.43Å; P224-Y324 HydrophobicContact CG-CE1 4.22Å; Y226-Y324 HydrophobicContact CE1-CD1 4.15Å; I256-Y324 HydrophobicContact CD1-CD1 4.48Å; H257-Y324 HydrophobicContact CB-CE1 4.35Å; H257-Y324 PolarHBondContact CE1-OH 2.78Å; H257-Y324 VanDerWaalsContact CE1-OH 3.28Å; H257-Y324 AromaticContact ND1-CE1 3.56Å; H257-Y324 AromaticContact ND1-CZ 3.49Å; H257-Y324 PolarHBondContact ND1-OH 2.85Å; V265-Y324 HydrophobicContact CG1-CD1 4.27Å; V265-Y324 HydrophobicContact CG1-CD2 4.14Å; V265-Y324 HydrophobicContact CG1-CG 4Å; V265-Y324 HydrophobicContact CG2-CD2 4.14Å; V265-Y324 HydrophobicContact CG2-CE1 4.24Å; V265-Y324 HydrophobicContact CG2-CE2 3.75Å; L319-Y324 HydrophobicContact CB-CD2 4.03Å; L319-Y324 HydrophobicContact CB-CE1 4.21Å; L319-Y324 HydrophobicContact CB-CE2 3.57Å; L319-Y324 HydrophobicContact CD1-CD1 4.24Å; L319-Y324 HydrophobicContact CD1-CE1 3.76Å; L319-Y324 WeakPolarHBondContact O-CE2 3.47Å; S320-Y324 WeakPolarHBondContact O-CD2 3.49Å; S320-Y324 PolarHBondContact O-N 3.37Å; Q321-Y324 PolarHBondContact O-N 2.9Å; Y324-R326 PolarHBondContact O-N 3.04Å; Y324-N327 PolarHBondContact O-N 3.35Å; Y324-S328 WeakPolarHBondContact O-CB 3.47Å; Y324-S328 PolarHBondContact O-N 3.28Å
325R92.6Very high88.7Confident101 Ų10176.7 Ų76.738%0.38136%0.359SS..Hα-helixtrans-57.3-50177.6-172.3-179.461.582.8-1112T272 Q321 D322 A323 N327 S328 V329T272-R325 HydrophobicContact CG2-CB 4.48Å; T272-R325 PolarHBondContact OG1-N 2.78Å; Q321-R325 WeakPolarHBondContact O-CB 3.35Å; Q321-R325 PolarHBondContact O-N 3.12Å; D322-R325 IonicContact OD1-CZ 3.17Å; D322-R325 IonicContact OD1-NE 2.74Å; D322-R325 PolarHBondContact OD1-NE 3.01Å; D322-R325 IonicContact OD1-NH2 3.7Å; D322-R325 PolarHBondContact OD1-NH2 3.38Å; A323-R325 PolarHBondContact O-N 3.02Å; R325-N327 PolarHBondContact O-N 2.89Å; R325-S328 PolarHBondContact O-N 3.11Å; R325-V329 WeakPolarHBondContact O-CG2 3.41Å; R325-V329 PolarHBondContact O-N 3.3Å
326R90.9Very high88.6Confident124 Ų12480.4 Ų80.447%0.46836%0.356SS..Hα-helixtrans-60.8-44.5178.8-76.8-176.6-64.8158.8-0.7112.3D322 A323 Y324 R330D322-R326 WeakPolarHBondContact O-CB 3.3Å; D322-R326 VanDerWaalsContact O-CG 3.24Å; D322-R326 WeakPolarHBondContact O-CG 3.44Å; D322-R326 PolarHBondContact O-N 3.2Å; D322-R326 VanDerWaalsContact O-N 3.07Å; D322-R326 PolarHBondContact O-NE 3.04Å; A323-R326 PolarHBondContact O-N 3Å; Y324-R326 PolarHBondContact O-N 3.04Å; R326-R330 WeakPolarHBondContact O-CB 3.49Å; R326-R330 VanDerWaalsContact O-CG 3.24Å; R326-R330 WeakPolarHBondContact O-CG 3.36Å; R326-R330 PolarHBondContact O-N 2.88Å
327N91.4Very high88.4Confident50 Ų5087 Ų8727%0.26738%0.381SS..Hα-helixtrans-67.4-42.8-179.7-68.2-12.4000111.6Y226 A323 Y324 R325 R330 F331Y226-N327 HydrophobicContact CD1-CB 4Å; Y226-N327 HydrophobicContact CE1-CB 3.38Å; Y226-N327 HydrophobicContact CE2-CB 4Å; Y226-N327 PolarHBondContact OH-ND2 3.28Å; A323-N327 WeakPolarHBondContact O-CB 3.48Å; A323-N327 PolarHBondContact O-N 3.14Å; A323-N327 PolarHBondContact O-ND2 3.32Å; Y324-N327 PolarHBondContact O-N 3.35Å; R325-N327 PolarHBondContact O-N 2.89Å; N327-R330 PolarHBondContact O-N 3.5Å; N327-F331 WeakPolarHBondContact O-CB 3.35Å; N327-F331 PolarHBondContact O-N 2.87Å
328S90.9Very high88.1Confident2 Ų286.5 Ų86.51%0.01438%0.381CS..Hα-helixtrans-56.8-53.3174.9171.60000112.1R267 Y324 R325 R330 F331 L332R267-S328 WeakPolarHBondContact CD-OG 3.46Å; R267-S328 PolarHBondContact NH1-OG 3.11Å; Y324-S328 WeakPolarHBondContact O-CB 3.47Å; Y324-S328 PolarHBondContact O-N 3.28Å; R325-S328 PolarHBondContact O-N 3.11Å; S328-R330 PolarHBondContact O-N 3.35Å; S328-F331 PolarHBondContact O-N 3.08Å; S328-L332 WeakPolarHBondContact O-CG 3.24Å; S328-L332 PolarHBondContact O-N 2.72Å
329V90.6Very high87.2Confident42 Ų4286.3 Ų86.326%0.25540%0.398SS..Hα-helixtrans-61.8-44.2180171.60000111.2R325 F331 L332 Q333R325-V329 WeakPolarHBondContact O-CG2 3.41Å; R325-V329 PolarHBondContact O-N 3.3Å; V329-F331 PolarHBondContact O-N 2.89Å; V329-L332 PolarHBondContact O-N 3.46Å; V329-Q333 HydrophobicContact CG1-CG 4.32Å; V329-Q333 WeakPolarHBondContact O-CB 3.41Å; V329-Q333 VanDerWaalsContact O-CG 3.29Å; V329-Q333 WeakPolarHBondContact O-CG 3.42Å; V329-Q333 PolarHBondContact O-N 2.94Å
330R88.9Confident85.8Confident147 Ų14792.8 Ų92.856%0.55542%0.417SS*.Hα-helixtrans-59.2-46.1177.3-76.8173.6-173.6168.6-1112R326 N327 S328 Q333 Q334R326-R330 WeakPolarHBondContact O-CB 3.49Å; R326-R330 VanDerWaalsContact O-CG 3.24Å; R326-R330 WeakPolarHBondContact O-CG 3.36Å; R326-R330 PolarHBondContact O-N 2.88Å; N327-R330 PolarHBondContact O-N 3.5Å; S328-R330 PolarHBondContact O-N 3.35Å; R330-Q333 PolarHBondContact O-N 3.19Å; R330-Q334 WeakPolarHBondContact O-CB 3.38Å; R330-Q334 PolarHBondContact O-N 3.26Å
331F89.2Confident84.1Confident76 Ų7695.5 Ų95.533%0.33343%0.433SS..Hα-helixtrans-60.3-47.3178.8-177.7-87.5000111.5Y226 A227 N327 S328 V329 Q333 Q334 R335Y226-F331 WeakPolarHBondContact O-CD1 3.18Å; A227-F331 VanDerWaalsContact CA-CE1 3.42Å; A227-F331 HydrophobicContact CB-CE1 3.76Å; A227-F331 HydrophobicContact CB-CZ 3.94Å; N327-F331 WeakPolarHBondContact O-CB 3.35Å; N327-F331 PolarHBondContact O-N 2.87Å; S328-F331 PolarHBondContact O-N 3.08Å; V329-F331 PolarHBondContact O-N 2.89Å; F331-Q333 PolarHBondContact O-N 3.11Å; F331-Q334 PolarHBondContact O-N 3.3Å; F331-R335 PolarHBondContact O-N 3.41Å
332L87.6Confident81.9Confident32 Ų3297 Ų9717%0.16846%0.457CS..Hα-helixtrans-63.8-39.6178.8-68.6176.1000112.5S328 V329 R335 R336S328-L332 WeakPolarHBondContact O-CG 3.24Å; S328-L332 PolarHBondContact O-N 2.72Å; V329-L332 PolarHBondContact O-N 3.46Å; L332-R335 PolarHBondContact O-N 3.01Å; L332-R336 WeakPolarHBondContact O-CG 3.1Å; L332-R336 PolarHBondContact O-N 3.46Å
333Q87.9Confident79.8Confident101 Ų10198.7 Ų98.747%0.47247%0.473SS..Hα-helixtrans-63.5-43.2175.2-74.2177.44.500111.9V329 R330 F331 R336 R337V329-Q333 HydrophobicContact CG1-CG 4.32Å; V329-Q333 WeakPolarHBondContact O-CB 3.41Å; V329-Q333 VanDerWaalsContact O-CG 3.29Å; V329-Q333 WeakPolarHBondContact O-CG 3.42Å; V329-Q333 PolarHBondContact O-N 2.94Å; R330-Q333 PolarHBondContact O-N 3.19Å; F331-Q333 PolarHBondContact O-N 3.11Å; Q333-R336 PolarHBondContact O-N 3Å; Q333-R337 WeakPolarHBondContact O-CG 3.39Å; Q333-R337 PolarHBondContact O-N 3.46Å
334Q85.1Confident77.7Confident117 Ų117107.7 Ų107.755%0.54751%0.512SS..Hα-helixtrans-62.7-43.4176.9-171.6173.96.500111.3R330 F331 R336 R337 Q338R330-Q334 WeakPolarHBondContact O-CB 3.38Å; R330-Q334 PolarHBondContact O-N 3.26Å; F331-Q334 PolarHBondContact O-N 3.3Å; Q334-R336 PolarHBondContact O-N 3.07Å; Q334-R337 PolarHBondContact O-N 2.89Å; Q334-Q338 WeakPolarHBondContact O-CG 3.37Å; Q334-Q338 PolarHBondContact O-N 3.14Å; Q334-Q338 VanDerWaalsContact O-N 3.14Å
335R84.1Confident75Confident127 Ų127112.6 Ų112.648%0.47955%0.548SS..Hα-helixtrans-62-42.4175.9-159.3173.592.4-1753112F331 L332 R337 Q338 A339F331-R335 PolarHBondContact O-N 3.41Å; L332-R335 PolarHBondContact O-N 3.01Å; R335-R337 PolarHBondContact O-N 2.9Å; R335-Q338 PolarHBondContact O-N 2.81Å; R335-A339 WeakPolarHBondContact O-CB 3.35Å; R335-A339 PolarHBondContact O-N 3.37Å; R335-A339 VanDerWaalsContact O-N 3.11Å
336R84.4Confident72.6Confident186 Ų186114 Ų11470%0.70257%0.57SS**Hα-helixtrans-63.9-37.9175.9-75.7177.9179.2177.82.8112.7L332 Q333 Q334 A339 R340L332-R336 WeakPolarHBondContact O-CG 3.1Å; L332-R336 PolarHBondContact O-N 3.46Å; Q333-R336 PolarHBondContact O-N 3Å; Q334-R336 PolarHBondContact O-N 3.07Å; R336-A339 PolarHBondContact O-N 2.97Å; R336-R340 PolarHBondContact O-N 3.36Å
337R79.1Confident69.8Low201 Ų201111.5 Ų111.576%0.75858%0.582SS**Hα-helixtrans-64.7-39.5176.3-75.5178.5177.6-175.2-0.5112.1Q333 Q334 R335 A339Q333-R337 WeakPolarHBondContact O-CG 3.39Å; Q333-R337 PolarHBondContact O-N 3.46Å; Q334-R337 PolarHBondContact O-N 2.89Å; R335-R337 PolarHBondContact O-N 2.9Å; R337-A339 VanDerWaalsContact C-N 3.31Å
338Q73.8Confident66.9Low151 Ų151114.8 Ų114.871%0.70661%0.609SS**Hα-helixtrans-72.4-24.4177.3-69.2175.1-3.100113Q334 R335Q334-Q338 WeakPolarHBondContact O-CG 3.37Å; Q334-Q338 PolarHBondContact O-N 3.14Å; Q334-Q338 VanDerWaalsContact O-N 3.14Å; R335-Q338 PolarHBondContact O-N 2.81Å
339A67.9Low64.8Low80 Ų80120 Ų12066%0.66164%0.643SS**THydrogen-bonded Turntrans-88.6-6.3-179.400000114.8R335 R336 R337 P341R335-A339 WeakPolarHBondContact O-CB 3.35Å; R335-A339 PolarHBondContact O-N 3.37Å; R335-A339 VanDerWaalsContact O-N 3.11Å; R336-A339 PolarHBondContact O-N 2.97Å; R337-A339 VanDerWaalsContact C-N 3.31Å; A339-P341 WeakPolarHBondContact O-CD 3.47Å
340R57.1Low61.9Low209 Ų209126.7 Ų126.779%0.78968%0.677SS**SBendtrans-85.9120.1175.6-79.8-175.1175.2-174.2-2.2110.2R336 G342R336-R340 PolarHBondContact O-N 3.36Å; R340-G342 PolarHBondContact O-N 3.18Å
341P55.9Low59.5Low125 Ų125128.9 Ų128.981%0.81269%0.693SS**PPolyproline II helixtrans-63.3129.8161.2-8.724.7000107.6A339A339-P341 WeakPolarHBondContact O-CD 3.47Å
342G48.9Very low56.7Low62 Ų62134.8 Ų134.864%0.63972%0.722SS**PPolyproline II helixtrans-60.6153.4176.900000111.8R340 Q344R340-G342 PolarHBondContact O-N 3.18Å; G342-Q344 PolarHBondContact O-N 3.1Å
343P47.1Very low54Low124 Ų124142.1 Ų142.181%0.80576%0.755SS**PPolyproline II helixtrans-65.2129.6175.66.52.5000110.1S345P343-S345 PolarHBondContact O-N 3.4Å
344Q46.8Very low51.3Low200 Ų200142.4 Ų142.494%0.93577%0.766SS**  trans-70.2115164.8-75.7177-17.400108.6G342G342-Q344 PolarHBondContact O-N 3.1Å
345S35.3Very low48.7Very low108 Ų108146 Ų14676%0.75578%0.783SS**  trans-100.9139.9165.3-62.40000109.5P343P343-S345 PolarHBondContact O-N 3.4Å
346P42.2Very low46.3Very low130 Ų130146.2 Ų146.284%0.84480%0.798SS**  trans-91.9127.7-171.933.8-29.7000113.3
347G31.5Very low43.9Very low71 Ų71146.5 Ų146.573%0.73281%0.807SS**  trans71.3148.215700000117.3
348S30.5Very low41.7Very low119 Ų119148.4 Ų148.483%0.83282%0.815SS**  cis-164.2-169.7-12.9-67.70000105.1
349P46.8Very low40Very low113 Ų113146.3 Ų146.373%0.73482%0.816SS**  -112.3146.1-96.333.2-15.5000112.3
350L30.8Very low38.6Very low182 Ų182152.1 Ų152.195%0.95383%0.827SS**  trans-136.1114.7155.6-79.8172.8000108.4
351E38.3Very low37.8Very low192 Ų192147.7 Ų147.790%0.89783%0.825SS**  trans-65.3131.6173.6-68.7170.1140.400109.9
352E30.3Very low37.4Very low201 Ų201150.5 Ų150.594%0.93983%0.827SS**  trans-143.4131.9143.9-108.4178.8-172.100108.8
353E30.6Very low37.1Very low186 Ų186153.3 Ų153.387%0.86983%0.834SS**  trans-69.8169.1-168.2-98.5-159.7155.200115.2
354P31.5Very low37.5Very low106 Ų106152 Ų15269%0.68883%0.834SS**  trans-88.4122.6-148.332.9-32.7000113.6
355Q29.9Very low37.7Very low194 Ų194149 Ų14991%0.90783%0.829SS**  trans-98.297.4156.7-74.7-169.3-4.300109.9Q357Q355-Q357 PolarHBondContact O-N 3.16Å
356T34.7Very low38.7Very low131 Ų131148.7 Ų148.780%0.80482%0.824SS**  trans-57.999.8169.140.90000111.5
357Q33.1Very low39.8Very low192 Ų192148.1 Ų148.190%0.89782%0.821SS**  trans-89.7101.4150.4-76.9-169.1-0.700108.3Q355 S359Q355-Q357 PolarHBondContact O-N 3.16Å; Q357-S359 PolarHBondContact O-N 3.02Å; Q357-S359 VanDerWaalsContact O-N 3.09Å
358R33.1Very low40.9Very low241 Ų241155.5 Ų155.591%0.90983%0.827SS**  trans-51111.5168.9-85.4174.5166.2174-4.9109.8
359S37.2Very low42.6Very low106 Ų106153 Ų15374%0.74181%0.808SS**PPolyproline II helixtrans-63.6130.2156.449.20000108.4Q357 P361Q357-S359 PolarHBondContact O-N 3.02Å; Q357-S359 VanDerWaalsContact O-N 3.09Å; S359-P361 WeakPolarHBondContact O-CD 3.35Å
360K38.6Very low43.7Very low202 Ų202150.9 Ų150.988%0.87880%0.795SS**PPolyproline II helixtrans-65.3124.4161.9-81.9-178.9176.7177.40107.1Q362K360-Q362 PolarHBondContact O-N 3.38Å
361P40.7Very low45.3Very low116 Ų116145.4 Ų145.475%0.75378%0.776SS**PPolyproline II helixtrans-68.8129.5-179.825.8-31.3000110S359S359-P361 WeakPolarHBondContact O-CD 3.35Å
362Q48.7Very low46.7Very low185 Ų185141.9 Ų141.986%0.86476%0.763SS**PPolyproline II helixtrans-66.6130.2160.1-80.9179.6-14.900107.9K360 A364K360-Q362 PolarHBondContact O-N 3.38Å; Q362-A364 PolarHBondContact O-N 3.31Å
363P42Very low48.5Very low121 Ų121135.8 Ų135.879%0.78674%0.737SS**PPolyproline II helixtrans-65.5124.8176.624.9-30.4000109.3V365P363-V365 PolarHBondContact O-N 2.93Å
364A55.9Low50.1Low96 Ų96130.4 Ų130.479%0.79371%0.713SS**PPolyproline II helixtrans-60.4122.8172.500000109Q362 P366Q362-A364 PolarHBondContact O-N 3.31Å; A364-P366 VanDerWaalsContact O-CD 3.29Å; A364-P366 WeakPolarHBondContact O-CD 3.24Å
365V49.5Very low51.6Low136 Ų136129.2 Ų129.282%0.82470%0.701SS**PPolyproline II helixtrans-65.4116.6168.7179.10000106.6P363P363-V365 PolarHBondContact O-N 2.93Å
366P56Low53.3Low102 Ų102126.4 Ų126.466%0.66269%0.692SS**PPolyproline II helixtrans-64.3145.3179.825.1-31.5000109.6A364 R368A364-P366 VanDerWaalsContact O-CD 3.29Å; A364-P366 WeakPolarHBondContact O-CD 3.24Å; P366-R368 PolarHBondContact O-N 3.48Å
367P66.9Low54.9Low119 Ų119129.7 Ų129.777%0.77369%0.69SS**PPolyproline II helixtrans-57.1140.4176.823.7-32.4000109.9
368R54.8Low56.5Low226 Ų226122.3 Ų122.385%0.85366%0.659SS**PPolyproline II helixtrans-54126.9178.8-171.9179.2-172.8178.32.1108.9P366P366-R368 PolarHBondContact O-N 3.48Å
369P66.1Low58.3Low67 Ų67114 Ų11444%0.43564%0.638SS.*PPolyproline II helixtrans-58.4149177.5-20.230.1000111.1L373 I374P369-L373 HydrophobicContact CB-CB 4.41Å; P369-L373 HydrophobicContact CB-CD2 4.29Å; P369-I374 HydrophobicContact CB-CG1 4.05Å
370S68.9Low59.8Low67 Ų67114.6 Ų114.647%0.46963%0.629SS.*PPolyproline II helixtrans-60.6152.7174.360.20000111.1D372 L373 I374S370-D372 PolarHBondContact O-N 3.2Å; S370-L373 PolarHBondContact O-N 3.36Å; S370-I374 PolarHBondContact O-N 2.91Å; S370-I374 VanDerWaalsContact O-N 3.14Å
371A64.2Low60.8Low68 Ų68108.7 Ų108.756%0.56261%0.613SS**Hα-helixtrans-54.4-37.8-178.700000112.3L373 I374 L375A371-L373 VanDerWaalsContact C-N 3.33Å; A371-L373 PolarHBondContact O-N 2.9Å; A371-I374 PolarHBondContact O-N 3.18Å; A371-L375 PolarHBondContact O-N 3.44Å
372D67.8Low62Low117 Ų117105.9 Ų105.963%0.62659%0.594SS**Hα-helixtrans-65.5-35.7178.2-56.6-40.2000112.8S370 L375 N376S370-D372 PolarHBondContact O-N 3.2Å; D372-L375 PolarHBondContact O-N 2.88Å; D372-N376 PolarHBondContact O-N 3.33Å
373L67.7Low62.8Low74 Ų74100.3 Ų100.339%0.38757%0.567SS.*Hα-helixtrans-76.1-28.1-179.7-148.5142.3000111.6P369 S370 A371 R377P369-L373 HydrophobicContact CB-CB 4.41Å; P369-L373 HydrophobicContact CB-CD2 4.29Å; S370-L373 PolarHBondContact O-N 3.36Å; A371-L373 VanDerWaalsContact C-N 3.33Å; A371-L373 PolarHBondContact O-N 2.9Å; L373-R377 PolarHBondContact O-N 2.94Å
374I65.6Low63.9Low72 Ų72103.7 Ų103.737%0.36956%0.564SS.*Hα-helixtrans-70.8-46.1171.3-62.3171.9000109.9P369 S370 A371 N376 R377 C378P369-I374 HydrophobicContact CB-CG1 4.05Å; S370-I374 PolarHBondContact O-N 2.91Å; S370-I374 VanDerWaalsContact O-N 3.14Å; A371-I374 PolarHBondContact O-N 3.18Å; I374-N376 PolarHBondContact O-N 3.06Å; I374-R377 PolarHBondContact O-N 2.88Å; I374-C378 PolarHBondContact O-N 2.66Å; I374-C378 VanDerWaalsContact O-N 3.13Å; I374-C378 PolarHBondContact O-SG 2.78Å
375L62.6Low64.2Low82 Ų82106.7 Ų106.743%0.42956%0.559SS.*Hα-helixtrans-62.3-38.9179-84.1157.2000113A371 D372 R377 K383 L386A371-L375 PolarHBondContact O-N 3.44Å; D372-L375 PolarHBondContact O-N 2.88Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.43Å; L375-K383 VanDerWaalsContact O-CE 3.29Å; L375-K383 WeakPolarHBondContact O-CE 3.37Å; L375-L386 HydrophobicContact CD2-CD1 4.38Å
376N65.1Low64.7Low135 Ų135104.9 Ų104.972%0.72254%0.544SS*.Hα-helixtrans-70-24.1177-97.7-21.1000114D372 I374D372-N376 PolarHBondContact O-N 3.33Å; I374-N376 PolarHBondContact O-N 3.06Å
377R68.7Low64.8Low200 Ų200103.6 Ų103.676%0.75554%0.542SS*.Hα-helixtrans-96.3-7.1180-74.3-176.5172.5161.2-0.4114.1L373 I374 L375L373-R377 PolarHBondContact O-N 2.94Å; I374-R377 PolarHBondContact O-N 2.88Å; L375-R377 VanDerWaalsContact C-N 3.3Å; L375-R377 PolarHBondContact O-N 3.43Å
378C66.1Low64.1Low37 Ų37102.5 Ų102.525%0.2554%0.537CS..SBendtrans-70.2142.7174.9-81.40000111.6I374 T382 K383I374-C378 PolarHBondContact O-N 2.66Å; I374-C378 VanDerWaalsContact O-N 3.13Å; I374-C378 PolarHBondContact O-SG 2.78Å; C378-T382 HydrophobicContact CB-CG2 4.13Å; C378-K383 HydrophobicContact CB-CG 4.38Å; C378-K383 WeakPolarHBondContact O-CE 3.49Å
379S72.1Confident64Low67 Ų6795.7 Ų95.747%0.46953%0.529SS..  trans-60151.5173.676.60000111.2S381 T382 K383S379-S381 PolarHBondContact O-N 2.95Å; S379-S381 VanDerWaalsContact O-N 3.1Å; S379-T382 WeakPolarHBondContact O-CA 3.23Å; S379-T382 WeakPolarHBondContact O-CB 3.43Å; S379-T382 PolarHBondContact O-N 3.27Å; S379-T382 PolarHBondContact OG-N 3.17Å; S379-T382 PolarHBondContact OG-OG1 3.08Å; S379-K383 PolarHBondContact O-N 3.22Å
380E68.7Low63.1Low117 Ų117101.5 Ų101.555%0.54756%0.563SS.*Hα-helixtrans-55.5-29.7177.5-74.7-60.3130.400112.9K383 R384E380-K383 PolarHBondContact O-N 3Å; E380-K383 IonicContact OE1-NZ 3.13Å; E380-K383 PolarHBondContact OE1-NZ 3.03Å; E380-R384 WeakPolarHBondContact O-CG 3.43Å; E380-R384 PolarHBondContact O-N 3.08Å; E380-R384 VanDerWaalsContact O-N 3.1Å
381S59.4Low62.8Low78 Ų78103.2 Ų103.255%0.54557%0.568SS.*Hα-helixtrans-64.8-40.1172.5178.10000112.6S379 K385S379-S381 PolarHBondContact O-N 2.95Å; S379-S381 VanDerWaalsContact O-N 3.1Å; S381-K385 PolarHBondContact O-N 2.78Å
382T64.1Low62.7Low58 Ų58105.1 Ų105.136%0.35657%0.568SS.*Hα-helixtrans-71.8-37.6177.2-45.40000111.5C378 S379 K385 L386C378-T382 HydrophobicContact CB-CG2 4.13Å; S379-T382 WeakPolarHBondContact O-CA 3.23Å; S379-T382 WeakPolarHBondContact O-CB 3.43Å; S379-T382 PolarHBondContact O-N 3.27Å; S379-T382 PolarHBondContact OG-N 3.17Å; S379-T382 PolarHBondContact OG-OG1 3.08Å; T382-K385 PolarHBondContact O-N 3.18Å; T382-L386 PolarHBondContact O-N 3.04Å
383K65.7Low62.4Low67 Ų67104.4 Ų104.429%0.29157%0.565SS.*Hα-helixtrans-63.2-43.5175.7-67-176.9-170.1165.50112L375 C378 S379 E380 K385 L386 A387L375-K383 VanDerWaalsContact O-CE 3.29Å; L375-K383 WeakPolarHBondContact O-CE 3.37Å; C378-K383 HydrophobicContact CB-CG 4.38Å; C378-K383 WeakPolarHBondContact O-CE 3.49Å; S379-K383 PolarHBondContact O-N 3.22Å; E380-K383 PolarHBondContact O-N 3Å; E380-K383 IonicContact OE1-NZ 3.13Å; E380-K383 PolarHBondContact OE1-NZ 3.03Å; K383-K385 VanDerWaalsContact C-N 3.34Å; K383-K385 PolarHBondContact O-N 2.85Å; K383-L386 PolarHBondContact O-N 3.31Å; K383-A387 PolarHBondContact O-N 3.41Å; K383-A387 VanDerWaalsContact O-N 3.11Å
384R65Low62.1Low193 Ų193106.2 Ų106.273%0.72858%0.575SS**Hα-helixtrans-62.9-35.2178-76.7-178.4-176.5178.90.8113.7E380E380-R384 WeakPolarHBondContact O-CG 3.43Å; E380-R384 PolarHBondContact O-N 3.08Å; E380-R384 VanDerWaalsContact O-N 3.1Å
385K63.8Low61.9Low159 Ų159108.3 Ų108.369%0.69159%0.588SS**Hα-helixtrans-72.2-28.1177.9-77.3-174.8177.5-176.40113.8S381 T382 K383 S388S381-K385 PolarHBondContact O-N 2.78Å; T382-K385 PolarHBondContact O-N 3.18Å; K383-K385 VanDerWaalsContact C-N 3.34Å; K383-K385 PolarHBondContact O-N 2.85Å; K385-S388 PolarHBondContact O-OG 3.28Å
386L59.8Low61.8Low97 Ų97110.1 Ų110.151%0.50860%0.599SS.*Hα-helixtrans-81.2-32.7175.8-76.3164.3000111.8L375 T382 K383 S388 A389L375-L386 HydrophobicContact CD2-CD1 4.38Å; T382-L386 PolarHBondContact O-N 3.04Å; K383-L386 PolarHBondContact O-N 3.31Å; L386-S388 VanDerWaalsContact C-N 3.25Å; L386-S388 PolarHBondContact O-N 2.96Å; L386-A389 PolarHBondContact O-N 3.49Å
387A57.2Low61.6Low75 Ų75108.3 Ų108.362%0.6259%0.59SS**Hα-helixtrans-69.2-17.9176.900000114.2K383 A389K383-A387 PolarHBondContact O-N 3.41Å; K383-A387 VanDerWaalsContact O-N 3.11Å; A387-A389 VanDerWaalsContact C-N 3.33Å
388S52.8Low61Low96 Ų96101.2 Ų101.267%0.67158%0.578SS**THydrogen-bonded Turntrans-89.74.8174.964.40000114K385 L386K385-S388 PolarHBondContact O-OG 3.28Å; L386-S388 VanDerWaalsContact C-N 3.25Å; L386-S388 PolarHBondContact O-N 2.96Å
389A52.5Low60.6Low83 Ų83106.6 Ų106.669%0.68661%0.605SS**THydrogen-bonded Turntrans-115.614.8-179.500000113.1L386 A387L386-A389 PolarHBondContact O-N 3.49Å; A387-A389 VanDerWaalsContact C-N 3.33Å
390V46.2Very low59.6Low189 Ų189110.2 Ų110.2100%1.14562%0.617SS**  trans-119.60161.7-177.30000106.2

Retrieved 390 of 390 residues in 2427.3 ms (Link to these results)

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