A0A096NQE9_PAPAN Loading...

Cell cycle checkpoint control protein

AlphaFold DB , UniProt , Accession A0A096NQE9, Species PAPAN (Papio anubis, Olive baboon), Gene RAD9B, Length 428 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
1M40.7Very low79.6Confident198 Ų19841 Ų4198%0.97523%0.227SC*.  0119.40-105.3-176-82.200106.3L70M1-L70 HydrophobicContact CB-CD2 3.96Å
2A52.5Low80.5Confident53 Ų5343.3 Ų43.344%0.43825%0.248SC..  trans-90.1160.7-175.200000111.3M4 S116A2-M4 PolarHBondContact O-N 3.28Å; A2-S116 WeakPolarHBondContact CB-OG 3.44Å
3A58.2Low81.5Confident17 Ų1742.8 Ų42.814%0.1424%0.242CC..  trans-60.3127.4-172.300000111.6W67 S68 L84 T114A3-W67 HydrophobicContact CB-CH2 3.48Å; A3-W67 VanDerWaalsContact CB-CH2 3.48Å; A3-W67 HydrophobicContact CB-CZ2 4.42Å; A3-W67 HydrophobicContact CB-CZ3 3.9Å; A3-S68 VanDerWaalsContact CA-O 3.24Å; A3-S68 WeakPolarHBondContact CA-O 3.2Å; A3-S68 WeakPolarHBondContact CB-O 3.39Å; A3-L84 HydrophobicContact CB-CD1 4.17Å; A3-T114 PolarHBondContact O-OG1 3.17Å
4M77.4Confident82.4Confident81 Ų8139.7 Ų39.740%0.39922%0.224SC..EExtended strand (participates in β ladder)trans-118.9119.1-171.1-175179.8165.900109.9A2 K6 W67 S68A2-M4 PolarHBondContact O-N 3.28Å; M4-K6 HydrophobicContact CE-CB 4.23Å; M4-K6 HydrophobicContact CE-CD 4.15Å; M4-W67 WeakPolarHBondContact O-CA 3.13Å; M4-S68 PolarHBondContact N-O 3.12Å; M4-S68 PolarHBondContact O-N 2.62Å
5L88Confident83.2Confident0 Ų040.8 Ų40.80%023%0.226CC..EExtended strand (participates in β ladder)trans-99.5135.6167.9179.559.9000108.6C7 P35 L40 Y65 W67 L84 F113 T114L5-C7 WeakPolarHBondContact CD1-SG 3.28Å; L5-P35 HydrophobicContact CD1-CB 3.62Å; L5-P35 HydrophobicContact CD1-CG 4.31Å; L5-P35 HydrophobicContact CD2-CB 4.38Å; L5-P35 HydrophobicContact CD2-CG 4.49Å; L5-P35 HydrophobicContact CG-CB 4.46Å; L5-L40 HydrophobicContact CD2-CD1 3.82Å; L5-L40 HydrophobicContact CD2-CD2 4.49Å; L5-Y65 HydrophobicContact CD1-CE2 3.88Å; L5-W67 HydrophobicContact CB-CE3 4.15Å; L5-W67 HydrophobicContact CB-CZ3 4.42Å; L5-W67 HydrophobicContact CD1-CE3 4.43Å; L5-L84 HydrophobicContact CB-CD2 4.37Å; L5-L84 HydrophobicContact CD2-CD2 4.38Å; L5-F113 CarbonylContact O-C 3.5Å; L5-F113 WeakPolarHBondContact O-CA 3.34Å; L5-F113 VanDerWaalsContact O-CB 3.29Å; L5-F113 WeakPolarHBondContact O-CB 2.94Å; L5-T114 HydrophobicContact CB-CG2 3.86Å; L5-T114 PolarHBondContact N-OG1 3.38Å; L5-T114 PolarHBondContact O-N 3.13Å
6K91.5Very high83.9Confident71 Ų7139.9 Ų39.931%0.30922%0.222SC..EExtended strand (participates in β ladder)trans-145.9106.6171.5-179.8-176.9173.4-167.50109.8M4 Q66 I112 F113M4-K6 HydrophobicContact CE-CB 4.23Å; M4-K6 HydrophobicContact CE-CD 4.15Å; K6-Q66 HydrophobicContact CB-CB 4.33Å; K6-Q66 PolarHBondContact N-O 2.8Å; K6-Q66 PolarHBondContact O-N 2.79Å; K6-I112 CarbonylContact C-O 3.5Å; K6-I112 WeakPolarHBondContact CA-O 3.36Å; K6-F113 HydrophobicContact CB-CB 4.29Å; K6-F113 HydrophobicContact CG-CB 4.42Å
7C94.1Very high84.6Confident0 Ų037.6 Ų37.60%021%0.209CC..EExtended strand (participates in β ladder)trans-114.2146.3178-53.40000110.5L5 F62 H64 Y65 K111 I112L5-C7 WeakPolarHBondContact CD1-SG 3.28Å; C7-F62 HydrophobicContact CB-CD1 3.75Å; C7-F62 HydrophobicContact CB-CE1 3.9Å; C7-F62 HydrophobicContact CB-CG 4.37Å; C7-H64 CarbonylContact C-O 3.54Å; C7-H64 WeakPolarHBondContact CA-O 3.47Å; C7-Y65 VanDerWaalsContact SG-CD2 3.53Å; C7-K111 CarbonylContact O-C 3.5Å; C7-K111 WeakPolarHBondContact O-CA 3.34Å; C7-I112 HydrophobicContact CB-CB 4.44Å; C7-I112 PolarHBondContact N-O 2.86Å; C7-I112 PolarHBondContact O-N 3.26Å
8V95.1Very high85.2Confident4 Ų435.6 Ų35.62%0.02420%0.197CC..EExtended strand (participates in β ladder)trans-132.5130.1178.8-1800000109.6F62 Q63 H64 K109 C110 K111V8-F62 CarbonylContact O-C 3.56Å; V8-F62 WeakPolarHBondContact O-CA 3.21Å; V8-F62 WeakPolarHBondContact O-CB 3.33Å; V8-Q63 HydrophobicContact CB-CB 4.39Å; V8-Q63 HydrophobicContact CG1-CB 4.07Å; V8-Q63 PolarHBondContact O-N 2.69Å; V8-H64 HydrophobicContact CB-CB 3.9Å; V8-H64 HydrophobicContact CG2-CB 3.84Å; V8-H64 PolarHBondContact N-O 2.92Å; V8-K109 HydrophobicContact CG1-CD 4.05Å; V8-K109 HydrophobicContact CG1-CG 3.82Å; V8-C110 CarbonylContact C-O 3.53Å; V8-C110 VanDerWaalsContact CA-O 3.3Å; V8-C110 WeakPolarHBondContact CA-O 3.45Å; V8-K111 HydrophobicContact CG2-CG 4.2Å
9M95.6Very high85.7Confident0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-130.4151.3-175.7-63.7176.6-71.200111.7Q13 V14 F17 F61 F62 K109 C110 I112M9-Q13 VanDerWaalsContact CA-OE1 3.3Å; M9-Q13 HydrophobicContact CB-CB 3.88Å; M9-Q13 HydrophobicContact CG-CB 4.27Å; M9-V14 HydrophobicContact CB-CG2 3.94Å; M9-V14 HydrophobicContact CE-CG2 4.35Å; M9-F17 HydrophobicContact CE-CD1 4.33Å; M9-F17 HydrophobicContact CE-CD2 4.5Å; M9-F17 HydrophobicContact CE-CG 4.19Å; M9-F17 HydrophobicContact SD-CB 3.85Å; M9-F17 HydrophobicContact SD-CD2 4.01Å; M9-F17 HydrophobicContact SD-CG 3.9Å; M9-F61 HydrophobicContact CG-CE1 4.38Å; M9-F61 HydrophobicContact SD-CE1 4.01Å; M9-F62 HydrophobicContact CG-CD1 3.55Å; M9-F62 HydrophobicContact CG-CE1 3.88Å; M9-F62 HydrophobicContact SD-CD1 4.15Å; M9-F62 HydrophobicContact SD-CE1 3.83Å; M9-K109 CarbonylContact O-C 3.54Å; M9-K109 WeakPolarHBondContact O-CA 3.48Å; M9-C110 HydrophobicContact CB-CB 4.36Å; M9-C110 HydrophobicContact CE-CB 4.35Å; M9-C110 PolarHBondContact N-O 3.39Å; M9-C110 PolarHBondContact O-N 3.17Å; M9-I112 HydrophobicContact CE-CD1 3.42Å; M9-I112 VanDerWaalsContact CE-CD1 3.42Å; M9-I112 HydrophobicContact CE-CG1 3.93Å
10S93.4Very high86.2Confident21 Ų2134.4 Ų34.415%0.14719%0.188CC..  trans-80.5172.4166.169.40000112S12 Q13 V14S10-S12 PolarHBondContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 2.89Å; S10-S12 VanDerWaalsContact OG-OG 3.13Å; S10-Q13 PolarHBondContact O-N 3.12Å; S10-Q13 WeakPolarHBondContact OG-CG 3.4Å; S10-Q13 PolarHBondContact OG-N 3.48Å; S10-Q13 PolarHBondContact OG-OE1 3.21Å; S10-V14 WeakPolarHBondContact O-CG2 3.39Å; S10-V14 PolarHBondContact O-N 2.88Å
11G89.1Confident86.7Confident6 Ų632.8 Ų32.86%0.06218%0.179CC..Hα-helixtrans-56.9-41.7175.700000114.4V14 K15G11-V14 PolarHBondContact O-N 3.14Å; G11-K15 PolarHBondContact O-N 2.9Å
12S90.8Very high89.3Confident68 Ų6825.1 Ų25.148%0.47614%0.141SC..Hα-helixtrans-68-42.2177.854.20000112.2S10 V14 K15 V16S10-S12 PolarHBondContact O-N 3.08Å; S10-S12 PolarHBondContact OG-OG 2.89Å; S10-S12 VanDerWaalsContact OG-OG 3.13Å; S12-V14 VanDerWaalsContact C-N 3.32Å; S12-V14 PolarHBondContact O-N 3.42Å; S12-K15 WeakPolarHBondContact O-CB 3.48Å; S12-K15 PolarHBondContact O-N 3.44Å; S12-V16 PolarHBondContact O-N 3.2Å
13Q93.8Very high91.3Very high37 Ų3722.6 Ų22.617%0.17312%0.12CC..Hα-helixtrans-63.3-38.4175.3-70.7164.8-12.600111.5M9 S10 K15 V16 F17 F61M9-Q13 VanDerWaalsContact CA-OE1 3.3Å; M9-Q13 HydrophobicContact CB-CB 3.88Å; M9-Q13 HydrophobicContact CG-CB 4.27Å; S10-Q13 PolarHBondContact O-N 3.12Å; S10-Q13 WeakPolarHBondContact OG-CG 3.4Å; S10-Q13 PolarHBondContact OG-N 3.48Å; S10-Q13 PolarHBondContact OG-OE1 3.21Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 3.09Å; Q13-V16 PolarHBondContact O-N 2.93Å; Q13-F17 WeakPolarHBondContact O-CB 3.43Å; Q13-F17 PolarHBondContact O-N 3.33Å; Q13-F61 HydrophobicContact CB-CE1 3.98Å; Q13-F61 HydrophobicContact CB-CE2 4.27Å; Q13-F61 HydrophobicContact CB-CZ 3.71Å; Q13-F61 HydrophobicContact CG-CE1 4.38Å; Q13-F61 HydrophobicContact CG-CE2 4.12Å; Q13-F61 HydrophobicContact CG-CZ 4.05Å; Q13-F61 PolarHBondContact NE2-O 2.96Å; Q13-F61 WeakPolarHBondContact O-CZ 3.36Å; Q13-F61 PolarHBondContact OE1-O 2.94Å
14V93.9Very high93.1Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-60.7-36.1175.1167.60000112M9 S10 G11 S12 G18 F97 L103 C110 F125M9-V14 HydrophobicContact CB-CG2 3.94Å; M9-V14 HydrophobicContact CE-CG2 4.35Å; S10-V14 WeakPolarHBondContact O-CG2 3.39Å; S10-V14 PolarHBondContact O-N 2.88Å; G11-V14 PolarHBondContact O-N 3.14Å; S12-V14 VanDerWaalsContact C-N 3.32Å; S12-V14 PolarHBondContact O-N 3.42Å; V14-G18 PolarHBondContact O-N 3.08Å; V14-F97 HydrophobicContact CG1-CE1 4.29Å; V14-L103 HydrophobicContact CG1-CB 4.41Å; V14-C110 HydrophobicContact CG2-CB 3.25Å; V14-F125 HydrophobicContact CG1-CE1 4.12Å
15K93.6Very high93.9Very high56 Ų5619.2 Ų19.224%0.24310%0.103CC..Hα-helixtrans-64.7-48.2175.7174.2175.6173.6-172.30111.6G11 S12 Q13 G18 K19 L100 E104G11-K15 PolarHBondContact O-N 2.9Å; S12-K15 WeakPolarHBondContact O-CB 3.48Å; S12-K15 PolarHBondContact O-N 3.44Å; Q13-K15 VanDerWaalsContact C-N 3.27Å; Q13-K15 PolarHBondContact O-N 3.09Å; K15-G18 PolarHBondContact O-N 2.6Å; K15-K19 VanDerWaalsContact O-CG 3.31Å; K15-K19 WeakPolarHBondContact O-CG 3.28Å; K15-K19 PolarHBondContact O-N 3.09Å; K15-L100 HydrophobicContact CG-CB 4.42Å; K15-E104 HydrophobicContact CB-CB 4.34Å; K15-E104 HydrophobicContact CD-CB 4.32Å; K15-E104 HydrophobicContact CD-CG 4.29Å; K15-E104 WeakPolarHBondContact CD-OE1 3.33Å; K15-E104 WeakPolarHBondContact CD-OE2 3.4Å; K15-E104 WeakPolarHBondContact CE-OE2 3.16Å; K15-E104 IonicContact NZ-OE1 2.7Å; K15-E104 PolarHBondContact NZ-OE1 3.26Å; K15-E104 IonicContact NZ-OE2 2.76Å; K15-E104 PolarHBondContact NZ-OE2 3.32Å
16V94.6Very high94.1Very high26 Ų2626.7 Ų26.716%0.15813%0.132CC..Hα-helixtrans-62.7-47.5177.6-178.60000110.5S12 Q13 G18 K19 A20 F57 F61 F239 T243S12-V16 PolarHBondContact O-N 3.2Å; Q13-V16 PolarHBondContact O-N 2.93Å; V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.75Å; V16-K19 WeakPolarHBondContact O-CB 3.43Å; V16-K19 PolarHBondContact O-N 2.85Å; V16-K19 VanDerWaalsContact O-N 3.11Å; V16-A20 PolarHBondContact O-N 3.05Å; V16-F57 HydrophobicContact CG1-CE1 4.31Å; V16-F61 HydrophobicContact CB-CE2 4.22Å; V16-F61 HydrophobicContact CB-CZ 4.18Å; V16-F61 HydrophobicContact CG1-CE2 4.23Å; V16-F61 HydrophobicContact CG1-CZ 4.42Å; V16-F239 HydrophobicContact CG1-CE2 3.93Å; V16-F239 HydrophobicContact CG1-CZ 4.29Å; V16-T243 HydrophobicContact CG1-CG2 3.9Å
17F95.7Very high94.2Very high2 Ų224 Ų241%0.00912%0.12CC..Hα-helixtrans-57.7-45.2176.2-175.4-88.4000112M9 Q13 K19 A20 V21 L40 L42 F57 F97 I112M9-F17 HydrophobicContact CE-CD1 4.33Å; M9-F17 HydrophobicContact CE-CD2 4.5Å; M9-F17 HydrophobicContact CE-CG 4.19Å; M9-F17 HydrophobicContact SD-CB 3.85Å; M9-F17 HydrophobicContact SD-CD2 4.01Å; M9-F17 HydrophobicContact SD-CG 3.9Å; Q13-F17 WeakPolarHBondContact O-CB 3.43Å; Q13-F17 PolarHBondContact O-N 3.33Å; F17-K19 VanDerWaalsContact C-N 3.33Å; F17-K19 PolarHBondContact O-N 2.78Å; F17-A20 WeakPolarHBondContact O-CB 3.42Å; F17-A20 PolarHBondContact O-N 3.11Å; F17-V21 HydrophobicContact CD1-CG2 4.22Å; F17-V21 HydrophobicContact CE1-CG2 3.87Å; F17-V21 HydrophobicContact CZ-CG2 4.47Å; F17-V21 WeakPolarHBondContact O-CG2 3.46Å; F17-V21 PolarHBondContact O-N 3.32Å; F17-L40 HydrophobicContact CE2-CD2 4.07Å; F17-L42 HydrophobicContact CD2-CD1 4.38Å; F17-L42 HydrophobicContact CE2-CD1 3.81Å; F17-L42 HydrophobicContact CE2-CD2 4.06Å; F17-L42 HydrophobicContact CE2-CG 4.26Å; F17-L42 HydrophobicContact CZ-CD1 3.96Å; F17-L42 HydrophobicContact CZ-CD2 4.05Å; F17-F57 HydrophobicContact CB-CZ 4.45Å; F17-F57 HydrophobicContact CD2-CD2 4.26Å; F17-F57 HydrophobicContact CD2-CE1 4.38Å; F17-F57 AromaticContact CD2-CE2 3.85Å; F17-F57 HydrophobicContact CD2-CE2 3.85Å; F17-F57 AromaticContact CD2-CZ 3.92Å; F17-F57 HydrophobicContact CD2-CZ 3.92Å; F17-F57 HydrophobicContact CE2-CD2 4.46Å; F17-F57 HydrophobicContact CE2-CE2 4.19Å; F17-F97 AromaticContact CD1-CE1 3.92Å; F17-F97 HydrophobicContact CD1-CE1 3.92Å; F17-F97 HydrophobicContact CD1-CE2 4.43Å; F17-F97 AromaticContact CD1-CZ 3.76Å; F17-F97 HydrophobicContact CD1-CZ 3.76Å; F17-F97 HydrophobicContact CE1-CE1 4.38Å; F17-F97 HydrophobicContact CE1-CE2 4.15Å; F17-F97 AromaticContact CE1-CZ 3.74Å; F17-F97 HydrophobicContact CE1-CZ 3.74Å; F17-I112 HydrophobicContact CE1-CD1 3.9Å; F17-I112 HydrophobicContact CZ-CD1 3.89Å
18G95.1Very high94.2Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-65.7-34177.100000113.3V14 K15 V16 V21 Q22V14-G18 PolarHBondContact O-N 3.08Å; K15-G18 PolarHBondContact O-N 2.6Å; V16-G18 VanDerWaalsContact C-N 3.32Å; V16-G18 PolarHBondContact O-N 2.75Å; G18-V21 PolarHBondContact O-N 3.35Å; G18-Q22 WeakPolarHBondContact O-CG 3.3Å; G18-Q22 PolarHBondContact O-N 2.81Å
19K95.3Very high94Very high48 Ų4829.3 Ų29.321%0.20915%0.15CC..Hα-helixtrans-66.1-37.4172.4-74.7-71.9179.8-174.80112.1K15 V16 F17 Q22 A23 L100 T238 F239 A242K15-K19 VanDerWaalsContact O-CG 3.31Å; K15-K19 WeakPolarHBondContact O-CG 3.28Å; K15-K19 PolarHBondContact O-N 3.09Å; V16-K19 WeakPolarHBondContact O-CB 3.43Å; V16-K19 PolarHBondContact O-N 2.85Å; V16-K19 VanDerWaalsContact O-N 3.11Å; F17-K19 VanDerWaalsContact C-N 3.33Å; F17-K19 PolarHBondContact O-N 2.78Å; K19-Q22 PolarHBondContact O-N 2.91Å; K19-A23 WeakPolarHBondContact O-CB 3.49Å; K19-A23 PolarHBondContact O-N 3.11Å; K19-L100 HydrophobicContact CB-CD1 4.48Å; K19-L100 HydrophobicContact CD-CD1 3.79Å; K19-L100 HydrophobicContact CG-CD1 3.68Å; K19-T238 HydrophobicContact CD-CG2 3.98Å; K19-F239 HydrophobicContact CB-CD2 4.07Å; K19-A242 HydrophobicContact CB-CB 3.82Å; K19-A242 HydrophobicContact CD-CB 4.23Å; K19-A242 HydrophobicContact CG-CB 3.57Å
20A96.3Very high93.9Very high0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-62-45.3171.700000111.6V16 F17 Q22 A23 L24 L42 V55 F57 F239V16-A20 PolarHBondContact O-N 3.05Å; F17-A20 WeakPolarHBondContact O-CB 3.42Å; F17-A20 PolarHBondContact O-N 3.11Å; A20-Q22 VanDerWaalsContact C-N 3.31Å; A20-Q22 PolarHBondContact O-N 3.06Å; A20-A23 WeakPolarHBondContact O-CB 3.38Å; A20-A23 PolarHBondContact O-N 2.83Å; A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.46Å; A20-L24 PolarHBondContact O-N 3.49Å; A20-L42 HydrophobicContact CB-CD1 4.22Å; A20-V55 HydrophobicContact CB-CB 4.28Å; A20-V55 HydrophobicContact CB-CG1 3.99Å; A20-V55 HydrophobicContact CB-CG2 4.2Å; A20-F57 HydrophobicContact CB-CE2 4.13Å; A20-F57 HydrophobicContact CB-CZ 3.62Å; A20-F239 HydrophobicContact CB-CD2 3.95Å; A20-F239 HydrophobicContact CB-CE2 3.5Å; A20-F239 HydrophobicContact CB-CZ 4.01Å
21V95.8Very high93.9Very high0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-60.2-42.1175.6175.40000111F17 G18 S25 L42 M90 I93 F97F17-V21 HydrophobicContact CD1-CG2 4.22Å; F17-V21 HydrophobicContact CE1-CG2 3.87Å; F17-V21 HydrophobicContact CZ-CG2 4.47Å; F17-V21 WeakPolarHBondContact O-CG2 3.46Å; F17-V21 PolarHBondContact O-N 3.32Å; G18-V21 PolarHBondContact O-N 3.35Å; V21-S25 WeakPolarHBondContact O-CB 3.44Å; V21-S25 PolarHBondContact O-N 3.49Å; V21-L42 HydrophobicContact CG2-CD1 4.14Å; V21-M90 HydrophobicContact CG1-SD 3.9Å; V21-I93 HydrophobicContact CG1-CD1 4.41Å; V21-I93 HydrophobicContact CG1-CG1 4.28Å; V21-I93 HydrophobicContact CG1-CG2 3.94Å; V21-I93 HydrophobicContact CG2-CD1 4.3Å; V21-F97 HydrophobicContact CG1-CD2 4.36Å; V21-F97 HydrophobicContact CG2-CD2 4.44Å
22Q94.9Very high94Very high37 Ų3732.1 Ų32.117%0.17316%0.159CC..Hα-helixtrans-62.6-42175.2-73178.50.400112.1G18 K19 A20 S25 L94 F97G18-Q22 WeakPolarHBondContact O-CG 3.3Å; G18-Q22 PolarHBondContact O-N 2.81Å; K19-Q22 PolarHBondContact O-N 2.91Å; A20-Q22 VanDerWaalsContact C-N 3.31Å; A20-Q22 PolarHBondContact O-N 3.06Å; Q22-S25 PolarHBondContact O-N 3.03Å; Q22-S25 PolarHBondContact O-OG 2.69Å; Q22-L94 HydrophobicContact CG-CD1 4.04Å; Q22-F97 PolarHBondContact NE2-O 2.89Å
23A95.5Very high94Very high0 Ų029.1 Ų29.10%014%0.137CC..Hα-helixtrans-63.5-48.8177.200000111.9K19 A20 S25 R26 G235 F239 F271K19-A23 WeakPolarHBondContact O-CB 3.49Å; K19-A23 PolarHBondContact O-N 3.11Å; A20-A23 WeakPolarHBondContact O-CB 3.38Å; A20-A23 PolarHBondContact O-N 2.83Å; A23-S25 VanDerWaalsContact C-N 3.27Å; A23-S25 PolarHBondContact O-N 2.78Å; A23-R26 WeakPolarHBondContact O-CB 3.42Å; A23-R26 PolarHBondContact O-N 2.85Å; A23-R26 VanDerWaalsContact O-N 3.09Å; A23-G235 WeakPolarHBondContact CB-O 3.41Å; A23-F239 HydrophobicContact CB-CB 3.97Å; A23-F271 HydrophobicContact CB-CZ 4.1Å
24L95.3Very high93.8Very high0 Ų027.8 Ų27.80%013%0.131CC..Hα-helixtrans-65.8-30179.5-64170000112.2A20 R26 I27 S28 L31 L42 C44 V55 M90 F271A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.46Å; A20-L24 PolarHBondContact O-N 3.49Å; L24-R26 PolarHBondContact O-N 2.97Å; L24-I27 HydrophobicContact CD2-CD1 4.43Å; L24-I27 PolarHBondContact O-N 3.21Å; L24-S28 PolarHBondContact O-N 3.41Å; L24-L31 HydrophobicContact CB-CD1 4.32Å; L24-L31 HydrophobicContact CD1-CD1 3.68Å; L24-L42 HydrophobicContact CD1-CB 3.51Å; L24-L42 HydrophobicContact CD1-CD1 4.2Å; L24-C44 HydrophobicContact CB-CB 4.47Å; L24-C44 WeakPolarHBondContact CD2-SG 3.46Å; L24-V55 HydrophobicContact CD1-CG2 4.19Å; L24-V55 HydrophobicContact CD2-CG2 4.2Å; L24-V55 HydrophobicContact CG-CG2 4.31Å; L24-M90 HydrophobicContact CB-CE 4.33Å; L24-F271 HydrophobicContact CD2-CE2 4.18Å; L24-F271 HydrophobicContact CD2-CZ 3.79Å; L24-F271 HydrophobicContact CG-CZ 4.48Å
25S94.8Very high93.6Very high27 Ų2727.8 Ų27.819%0.18913%0.131CC..THydrogen-bonded Turntrans-63.5-16.4173.878.10000114.6V21 Q22 A23 M90V21-S25 WeakPolarHBondContact O-CB 3.44Å; V21-S25 PolarHBondContact O-N 3.49Å; Q22-S25 PolarHBondContact O-N 3.03Å; Q22-S25 PolarHBondContact O-OG 2.69Å; A23-S25 VanDerWaalsContact C-N 3.27Å; A23-S25 PolarHBondContact O-N 2.78Å; S25-M90 VanDerWaalsContact CB-CG 3.4Å
26R92.7Very high93.3Very high157 Ų15726.6 Ų26.659%0.59213%0.13SC*.THydrogen-bonded Turntrans-80.4-20.2173.6-59.7-60.9-171.3172.12.3113A23 L24A23-R26 WeakPolarHBondContact O-CB 3.42Å; A23-R26 PolarHBondContact O-N 2.85Å; A23-R26 VanDerWaalsContact O-N 3.09Å; L24-R26 PolarHBondContact O-N 2.97Å
27I93Very high92.9Very high14 Ų1435.2 Ų35.27%0.07217%0.165CC..THydrogen-bonded Turntrans-91.2-48.4178.3-63.3164.2000110.8L24 N46 A51 E232 F271L24-I27 HydrophobicContact CD2-CD1 4.43Å; L24-I27 PolarHBondContact O-N 3.21Å; I27-N46 HydrophobicContact CG2-CB 4.17Å; I27-N46 WeakPolarHBondContact O-CB 3.48Å; I27-A51 HydrophobicContact CG2-CB 3.84Å; I27-E232 HydrophobicContact CG1-CB 4.48Å; I27-E232 HydrophobicContact CG1-CG 4Å; I27-F271 HydrophobicContact CD1-CD1 3.35Å; I27-F271 HydrophobicContact CD1-CE1 3.24Å; I27-F271 HydrophobicContact CD1-CG 4.24Å; I27-F271 HydrophobicContact CD1-CZ 4.07Å; I27-F271 HydrophobicContact CG1-CD1 4.3Å; I27-F271 HydrophobicContact CG1-CE1 4.15Å
28S92.9Very high92.6Very high13 Ų1342.9 Ų42.99%0.09120%0.199CC..  trans-147152.9-171.5-170.20000113.5L24 E30 V45L24-S28 PolarHBondContact O-N 3.41Å; S28-E30 PolarHBondContact O-N 3.37Å; S28-E30 PolarHBondContact OG-N 3.14Å; S28-V45 WeakPolarHBondContact CB-O 3.29Å; S28-V45 PolarHBondContact OG-O 3.06Å
29D92.3Very high92.4Very high103 Ų10342.9 Ų42.955%0.55120%0.199SC*.SBendtrans-77.6-2.8170.9-78.1-30.6000113M90D29-M90 WeakPolarHBondContact O-CB 3.44Å; D29-M90 PolarHBondContact O-N 3.26Å
30E92.2Very high92.3Very high74 Ų7440.7 Ų40.735%0.34619%0.189SC..EExtended strand (participates in β ladder)trans-125.3137.9-176-54.6-174.6136.900111.2S28 W32 C44 K87S28-E30 PolarHBondContact O-N 3.37Å; S28-E30 PolarHBondContact OG-N 3.14Å; E30-W32 HydrophobicContact CB-CH2 4.13Å; E30-W32 HydrophobicContact CB-CZ3 4.06Å; E30-C44 WeakPolarHBondContact O-CB 3.17Å; E30-K87 WeakPolarHBondContact OE1-CE 3.48Å; E30-K87 IonicContact OE1-NZ 3.15Å; E30-K87 PolarHBondContact OE1-NZ 2.99Å; E30-K87 WeakPolarHBondContact OE2-CE 3.32Å; E30-K87 IonicContact OE2-NZ 2.72Å; E30-K87 PolarHBondContact OE2-NZ 3.37Å
31L93.4Very high92.2Very high0 Ų040.9 Ų40.90%019%0.191CC..EExtended strand (participates in β ladder)trans-130.2127-177.2-177.171.7000110.3L24 L33 L42 K87 L88 M90 I93L24-L31 HydrophobicContact CB-CD1 4.32Å; L24-L31 HydrophobicContact CD1-CD1 3.68Å; L31-L33 HydrophobicContact CD2-CD2 4.5Å; L31-L42 HydrophobicContact CD1-CB 4.14Å; L31-K87 CarbonylContact O-C 3.57Å; L31-L88 HydrophobicContact CB-CB 4.47Å; L31-L88 PolarHBondContact N-O 3.17Å; L31-L88 PolarHBondContact O-N 2.79Å; L31-M90 HydrophobicContact CB-CE 3.83Å; L31-M90 HydrophobicContact CD1-CE 4.19Å; L31-M90 HydrophobicContact CG-CE 4.42Å; L31-I93 HydrophobicContact CD2-CD1 3.86Å; L31-I93 HydrophobicContact CD2-CG2 4.41Å
32W91.9Very high92.1Very high13 Ų1340.9 Ų40.95%0.04919%0.191CC..EExtended strand (participates in β ladder)trans-97.9132.7172.2-66.1-101.9000110.2E30 L42 R43 V45 C86 K87 P144E30-W32 HydrophobicContact CB-CH2 4.13Å; E30-W32 HydrophobicContact CB-CZ3 4.06Å; W32-L42 WeakPolarHBondContact O-CA 3.23Å; W32-R43 HydrophobicContact CB-CB 4.27Å; W32-R43 PolarHBondContact N-O 2.77Å; W32-R43 PolarHBondContact O-N 2.87Å; W32-V45 HydrophobicContact CH2-CB 4.39Å; W32-V45 HydrophobicContact CZ3-CB 4.38Å; W32-V45 HydrophobicContact CZ3-CG2 4.36Å; W32-C86 CarbonylContact C-O 3.59Å; W32-C86 WeakPolarHBondContact CA-O 3.33Å; W32-K87 HydrophobicContact CD2-CG 4.46Å; W32-K87 HydrophobicContact CZ2-CD 4.08Å; W32-K87 HydrophobicContact CZ2-CG 4.43Å; W32-P144 HydrophobicContact CB-CB 4.2Å; W32-P144 HydrophobicContact CG-CB 4.29Å
33L90.9Very high92.1Very high5 Ų540.2 Ų40.23%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-95.6109.3166.4-61.4-174.1000108.5L31 P35 L40 L42 L84 C86 L88 V121L31-L33 HydrophobicContact CD2-CD2 4.5Å; L33-P35 VanDerWaalsContact O-CD 3.3Å; L33-P35 WeakPolarHBondContact O-CD 3.27Å; L33-L40 HydrophobicContact CB-CD1 4.49Å; L33-L42 HydrophobicContact CD2-CD2 3.2Å; L33-L84 HydrophobicContact CB-CD2 4.49Å; L33-C86 HydrophobicContact CB-CB 4.17Å; L33-C86 PolarHBondContact N-O 3.4Å; L33-L88 HydrophobicContact CD1-CD1 3.62Å; L33-L88 HydrophobicContact CD2-CD1 4.28Å; L33-L88 HydrophobicContact CG-CD1 3.72Å; L33-V121 HydrophobicContact CD1-CG1 4.21Å; L33-V121 HydrophobicContact CD1-CG2 4.06Å
34D89.3Confident92Very high8 Ų840.2 Ų40.24%0.04319%0.187CC..EExtended strand (participates in β ladder)trans-115.790179.8-174.325000110.6A41 R43 P144D34-A41 HydrophobicContact CB-CB 4.24Å; D34-A41 PolarHBondContact N-O 3.4Å; D34-A41 WeakPolarHBondContact O-CB 3.47Å; D34-A41 PolarHBondContact O-N 2.83Å; D34-R43 IonicContact OD2-CZ 2.8Å; D34-R43 IonicContact OD2-NE 2.93Å; D34-R43 IonicContact OD2-NH1 2.93Å; D34-R43 PolarHBondContact OD2-NH1 3.43Å; D34-R43 VanDerWaalsContact OD2-NH1 3.15Å; D34-R43 IonicContact OD2-NH2 3.36Å; D34-R43 PolarHBondContact OD2-NH2 3.16Å; D34-P144 HydrophobicContact CB-CB 4.4Å; D34-P144 HydrophobicContact CB-CG 4.34Å
35P89.3Confident91.8Very high0 Ų040.8 Ų40.80%019%0.19CC..EExtended strand (participates in β ladder)trans-77.6135.7176.132.6-34.3000111.7L5 L33 L40 Y65 W67 L84L5-P35 HydrophobicContact CD1-CB 3.62Å; L5-P35 HydrophobicContact CD1-CG 4.31Å; L5-P35 HydrophobicContact CD2-CB 4.38Å; L5-P35 HydrophobicContact CD2-CG 4.49Å; L5-P35 HydrophobicContact CG-CB 4.46Å; L33-P35 VanDerWaalsContact O-CD 3.3Å; L33-P35 WeakPolarHBondContact O-CD 3.27Å; P35-L40 HydrophobicContact CB-CD1 4.12Å; P35-Y65 WeakPolarHBondContact CA-OH 3.47Å; P35-Y65 WeakPolarHBondContact CB-OH 3.46Å; P35-W67 HydrophobicContact CB-CB 4.44Å; P35-W67 HydrophobicContact CB-CD2 3.59Å; P35-W67 HydrophobicContact CB-CE3 3.59Å; P35-W67 HydrophobicContact CB-CG 3.98Å; P35-W67 HydrophobicContact CB-CZ3 4.17Å; P35-W67 HydrophobicContact CG-CD2 3.55Å; P35-W67 HydrophobicContact CG-CE3 3.23Å; P35-W67 HydrophobicContact CG-CG 4.43Å; P35-W67 HydrophobicContact CG-CH2 3.6Å; P35-W67 HydrophobicContact CG-CZ2 3.85Å; P35-W67 HydrophobicContact CG-CZ3 3.28Å; P35-W67 PolarHBondContact O-NE1 2.79Å; P35-L84 HydrophobicContact CG-CB 3.57Å; P35-L84 HydrophobicContact CG-CD2 4.15Å
36S87.9Confident91.7Very high32 Ų3240.4 Ų40.422%0.22419%0.186CC..EExtended strand (participates in β ladder)trans-143174.6-176.175.40000111.3K38 G39 Y65S36-K38 PolarHBondContact O-N 3.48Å; S36-K38 PolarHBondContact OG-N 3.25Å; S36-G39 PolarHBondContact N-O 3.29Å; S36-G39 PolarHBondContact O-N 2.78Å; S36-G39 PolarHBondContact OG-N 2.92Å; S36-G39 PolarHBondContact OG-O 2.84Å; S36-Y65 PolarHBondContact N-OH 2.86Å; S36-Y65 PolarHBondContact O-OH 2.8Å; S36-Y65 VanDerWaalsContact O-OH 3.08Å
37K87.3Confident91.4Very high206 Ų20639 Ų3990%0.89620%0.2SC*.THydrogen-bonded Turntrans-61.3-30170.9-65.3-178.4-178.5176.30112.5G39K37-G39 PolarHBondContact O-N 2.59Å
38K88.3Confident91.2Very high164 Ų16441.7 Ų41.771%0.71322%0.22SC*.THydrogen-bonded Turntrans-77.9-2.3176.3-63-172.1177.5-173.10112.9S36 L56 P59S36-K38 PolarHBondContact O-N 3.48Å; S36-K38 PolarHBondContact OG-N 3.25Å; K38-L56 HydrophobicContact CB-CD2 4.28Å; K38-P59 WeakPolarHBondContact O-CD 3.26Å
39G91.7Very high91Very high0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans115.1-161.5-179.600000113.2S36 K37 F57 Y65S36-G39 PolarHBondContact N-O 3.29Å; S36-G39 PolarHBondContact O-N 2.78Å; S36-G39 PolarHBondContact OG-N 2.92Å; S36-G39 PolarHBondContact OG-O 2.84Å; K37-G39 PolarHBondContact O-N 2.59Å; G39-F57 CarbonylContact C-O 3.59Å; G39-F57 WeakPolarHBondContact CA-O 2.96Å; G39-Y65 PolarHBondContact O-OH 2.81Å
40L93.3Very high90.9Very high1 Ų142.9 Ų42.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-95.7114.1-177179.861.5000110.4L5 F17 L33 P35 L42 F57 F62 Y65L5-L40 HydrophobicContact CD2-CD1 3.82Å; L5-L40 HydrophobicContact CD2-CD2 4.49Å; F17-L40 HydrophobicContact CE2-CD2 4.07Å; L33-L40 HydrophobicContact CB-CD1 4.49Å; P35-L40 HydrophobicContact CB-CD1 4.12Å; L40-L42 HydrophobicContact CG-CD2 4.44Å; L40-F57 PolarHBondContact N-O 2.86Å; L40-F57 PolarHBondContact O-N 3.48Å; L40-F62 HydrophobicContact CB-CE2 4.01Å; L40-F62 HydrophobicContact CB-CZ 3.83Å; L40-F62 HydrophobicContact CD2-CZ 4.06Å; L40-Y65 HydrophobicContact CB-CE2 4.04Å
41A93.5Very high91Very high4 Ų439.4 Ų39.43%0.03320%0.201CC..EExtended strand (participates in β ladder)trans-91.6130.7170.700000111.1D34 R43 V55 L56D34-A41 HydrophobicContact CB-CB 4.24Å; D34-A41 PolarHBondContact N-O 3.4Å; D34-A41 WeakPolarHBondContact O-CB 3.47Å; D34-A41 PolarHBondContact O-N 2.83Å; A41-R43 HydrophobicContact CB-CG 4.45Å; A41-V55 CarbonylContact C-O 3.53Å; A41-V55 WeakPolarHBondContact CA-O 3.46Å; A41-L56 HydrophobicContact CB-CD1 4.05Å
42L94.6Very high91Very high0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-99.1114.6166.3-60.2-170000107.7F17 A20 V21 L24 L31 W32 L33 L40 C54 V55 F57F17-L42 HydrophobicContact CD2-CD1 4.38Å; F17-L42 HydrophobicContact CE2-CD1 3.81Å; F17-L42 HydrophobicContact CE2-CD2 4.06Å; F17-L42 HydrophobicContact CE2-CG 4.26Å; F17-L42 HydrophobicContact CZ-CD1 3.96Å; F17-L42 HydrophobicContact CZ-CD2 4.05Å; A20-L42 HydrophobicContact CB-CD1 4.22Å; V21-L42 HydrophobicContact CG2-CD1 4.14Å; L24-L42 HydrophobicContact CD1-CB 3.51Å; L24-L42 HydrophobicContact CD1-CD1 4.2Å; L31-L42 HydrophobicContact CD1-CB 4.14Å; W32-L42 WeakPolarHBondContact O-CA 3.23Å; L33-L42 HydrophobicContact CD2-CD2 3.2Å; L40-L42 HydrophobicContact CG-CD2 4.44Å; L42-C54 CarbonylContact O-C 3.54Å; L42-C54 VanDerWaalsContact O-CA 3.29Å; L42-C54 WeakPolarHBondContact O-CA 3.49Å; L42-V55 HydrophobicContact CB-CB 4.46Å; L42-V55 PolarHBondContact N-O 3.38Å; L42-V55 PolarHBondContact O-N 3.47Å; L42-F57 HydrophobicContact CD1-CE2 3.67Å; L42-F57 HydrophobicContact CD1-CZ 4.47Å; L42-F57 HydrophobicContact CG-CD2 4.34Å; L42-F57 HydrophobicContact CG-CE2 3.89Å
43R93.9Very high91.2Very high24 Ų2439.1 Ų39.19%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-114.9148.2179.9-60.5-176.4-175.2160.513110.9W32 D34 A41 Y52 G53 C54 L145W32-R43 HydrophobicContact CB-CB 4.27Å; W32-R43 PolarHBondContact N-O 2.77Å; W32-R43 PolarHBondContact O-N 2.87Å; D34-R43 IonicContact OD2-CZ 2.8Å; D34-R43 IonicContact OD2-NE 2.93Å; D34-R43 IonicContact OD2-NH1 2.93Å; D34-R43 PolarHBondContact OD2-NH1 3.43Å; D34-R43 VanDerWaalsContact OD2-NH1 3.15Å; D34-R43 IonicContact OD2-NH2 3.36Å; D34-R43 PolarHBondContact OD2-NH2 3.16Å; A41-R43 HydrophobicContact CB-CG 4.45Å; R43-Y52 WeakPolarHBondContact CD-OH 3.36Å; R43-G53 CarbonylContact C-O 3.56Å; R43-G53 VanDerWaalsContact CA-O 3.3Å; R43-G53 WeakPolarHBondContact CA-O 3.48Å; R43-C54 HydrophobicContact CG-CB 4.31Å; R43-L145 WeakPolarHBondContact CD-O 3.44Å
44C93.4Very high91.4Very high0 Ų039.6 Ų39.60%020%0.204CC..EExtended strand (participates in β ladder)trans-145.2146.617069.20000110.4L24 E30 Y52 G53L24-C44 HydrophobicContact CB-CB 4.47Å; L24-C44 WeakPolarHBondContact CD2-SG 3.46Å; E30-C44 WeakPolarHBondContact O-CB 3.17Å; C44-Y52 WeakPolarHBondContact O-CA 3.36Å; C44-G53 PolarHBondContact N-O 3.29Å; C44-G53 PolarHBondContact O-N 3Å
45V92.4Very high91.7Very high12 Ų1239.2 Ų39.27%0.07320%0.202CC..EExtended strand (participates in β ladder)trans-132.7134.2173.2-168.60000106.5S28 W32 R49 A51 Y52 L145S28-V45 WeakPolarHBondContact CB-O 3.29Å; S28-V45 PolarHBondContact OG-O 3.06Å; W32-V45 HydrophobicContact CH2-CB 4.39Å; W32-V45 HydrophobicContact CZ3-CB 4.38Å; W32-V45 HydrophobicContact CZ3-CG2 4.36Å; V45-R49 HydrophobicContact CG1-CB 4.42Å; V45-R49 HydrophobicContact CG1-CG 4.33Å; V45-A51 WeakPolarHBondContact CA-O 3.31Å; V45-Y52 HydrophobicContact CG2-CD2 3.78Å; V45-Y52 HydrophobicContact CG2-CE2 4.33Å; V45-L145 HydrophobicContact CB-CD1 4.17Å; V45-L145 HydrophobicContact CG1-CD1 4.23Å; V45-L145 HydrophobicContact CG2-CB 3.89Å; V45-L145 HydrophobicContact CG2-CD1 3.75Å; V45-L145 HydrophobicContact CG2-CG 4.44Å
46N91.3Very high92Very high18 Ų1840.4 Ų40.410%0.09621%0.208CC..  trans-71.3164.6174.672-10.4000111.2I27 S48 R49 S50 A51I27-N46 HydrophobicContact CG2-CB 4.17Å; I27-N46 WeakPolarHBondContact O-CB 3.48Å; N46-S48 VanDerWaalsContact C-N 3.26Å; N46-S48 PolarHBondContact ND2-OG 3.27Å; N46-S48 PolarHBondContact O-N 2.81Å; N46-S48 PolarHBondContact OD1-OG 2.82Å; N46-R49 PolarHBondContact O-N 3.31Å; N46-R49 VanDerWaalsContact O-N 3.09Å; N46-R49 WeakPolarHBondContact OD1-CA 3.36Å; N46-R49 PolarHBondContact OD1-N 2.92Å; N46-S50 PolarHBondContact ND2-OG 3.18Å; N46-S50 PolarHBondContact OD1-N 2.78Å; N46-A51 HydrophobicContact CB-CB 4.42Å; N46-A51 PolarHBondContact N-O 2.87Å; N46-A51 PolarHBondContact ND2-N 3.43Å; N46-A51 PolarHBondContact OD1-N 2.89Å; N46-A51 PolarHBondContact OD1-O 3.32Å
47S87.2Confident92.4Very high127 Ų12738.9 Ų38.989%0.88820%0.198SC*.THydrogen-bonded Turntrans-62.6-31.8-176.351.70000113.3R49S47-R49 VanDerWaalsContact C-N 3.31Å
48S87.7Confident92.8Very high72 Ų7230.6 Ų30.650%0.50317%0.166SC..THydrogen-bonded Turntrans-83-2177.555.90000114.1N46 S50N46-S48 VanDerWaalsContact C-N 3.26Å; N46-S48 PolarHBondContact ND2-OG 3.27Å; N46-S48 PolarHBondContact O-N 2.81Å; N46-S48 PolarHBondContact OD1-OG 2.82Å; S48-S50 PolarHBondContact O-N 3.02Å; S48-S50 VanDerWaalsContact O-N 3.11Å; S48-S50 PolarHBondContact OG-OG 3.35Å
49R89.3Confident93.1Very high123 Ų12324.8 Ų24.846%0.46415%0.145SC..SBendtrans52.725.8-172.9-53.9-177.7-179.4-176.71.5113.8V45 N46 S47V45-R49 HydrophobicContact CG1-CB 4.42Å; V45-R49 HydrophobicContact CG1-CG 4.33Å; N46-R49 PolarHBondContact O-N 3.31Å; N46-R49 VanDerWaalsContact O-N 3.09Å; N46-R49 WeakPolarHBondContact OD1-CA 3.36Å; N46-R49 PolarHBondContact OD1-N 2.92Å; S47-R49 VanDerWaalsContact C-N 3.31Å
50S90.5Very high93.2Very high17 Ų1730 Ų3012%0.11918%0.176CC..SBendtrans-92.8-12.4176.568.40000113.2N46 S48 A274N46-S50 PolarHBondContact ND2-OG 3.18Å; N46-S50 PolarHBondContact OD1-N 2.78Å; S48-S50 PolarHBondContact O-N 3.02Å; S48-S50 VanDerWaalsContact O-N 3.11Å; S48-S50 PolarHBondContact OG-OG 3.35Å; S50-A274 VanDerWaalsContact O-CB 3.28Å; S50-A274 WeakPolarHBondContact O-CB 3.29Å; S50-A274 PolarHBondContact O-N 3.26Å
51A93.6Very high93.3Very high1 Ų130.3 Ų30.31%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-139.3135.6177.400000111.2I27 V45 N46 E232 I272 L273I27-A51 HydrophobicContact CG2-CB 3.84Å; V45-A51 WeakPolarHBondContact CA-O 3.31Å; N46-A51 HydrophobicContact CB-CB 4.42Å; N46-A51 PolarHBondContact N-O 2.87Å; N46-A51 PolarHBondContact ND2-N 3.43Å; N46-A51 PolarHBondContact OD1-N 2.89Å; N46-A51 PolarHBondContact OD1-O 3.32Å; A51-E232 VanDerWaalsContact CB-CD 3.46Å; A51-E232 WeakPolarHBondContact CB-OE1 3.35Å; A51-I272 WeakPolarHBondContact CA-O 3.2Å; A51-L273 HydrophobicContact CB-CD2 4.11Å
52Y94.6Very high93.4Very high7 Ų730.7 Ų30.73%0.02718%0.178CC..EExtended strand (participates in β ladder)trans-126.4135.6178.1172.6-93.1000109.3R43 C44 V45 C54 V147 F271 I272R43-Y52 WeakPolarHBondContact CD-OH 3.36Å; C44-Y52 WeakPolarHBondContact O-CA 3.36Å; V45-Y52 HydrophobicContact CG2-CD2 3.78Å; V45-Y52 HydrophobicContact CG2-CE2 4.33Å; Y52-C54 HydrophobicContact CD1-CB 4.42Å; Y52-C54 HydrophobicContact CE1-CB 3.44Å; Y52-C54 VanDerWaalsContact CE1-CB 3.44Å; Y52-C54 WeakPolarHBondContact OH-CB 2.96Å; Y52-V147 HydrophobicContact CD1-CB 3.94Å; Y52-V147 HydrophobicContact CD1-CG2 4.23Å; Y52-V147 HydrophobicContact CD2-CB 3.96Å; Y52-V147 HydrophobicContact CD2-CG2 3.4Å; Y52-V147 VanDerWaalsContact CD2-CG2 3.4Å; Y52-V147 HydrophobicContact CE1-CB 4.03Å; Y52-V147 HydrophobicContact CE2-CB 4.11Å; Y52-V147 HydrophobicContact CE2-CG2 3.83Å; Y52-V147 HydrophobicContact CG-CB 3.89Å; Y52-V147 HydrophobicContact CG-CG2 3.64Å; Y52-F271 CarbonylContact O-C 3.47Å; Y52-F271 VanDerWaalsContact O-CA 3.3Å; Y52-F271 WeakPolarHBondContact O-CA 3.38Å; Y52-I272 HydrophobicContact CD1-CD1 3.83Å; Y52-I272 HydrophobicContact CD1-CG1 4.31Å; Y52-I272 HydrophobicContact CE1-CD1 4.36Å; Y52-I272 PolarHBondContact N-O 3.01Å; Y52-I272 PolarHBondContact O-N 2.76Å
53G95.1Very high93.3Very high0 Ų035.8 Ų35.80%020%0.202CC..EExtended strand (participates in β ladder)trans-127.2134.1173.300000110.4R43 C44R43-G53 CarbonylContact C-O 3.56Å; R43-G53 VanDerWaalsContact CA-O 3.3Å; R43-G53 WeakPolarHBondContact CA-O 3.48Å; C44-G53 PolarHBondContact N-O 3.29Å; C44-G53 PolarHBondContact O-N 3Å
54C94.9Very high93.3Very high15 Ų1538.5 Ų38.510%0.10122%0.216CC..EExtended strand (participates in β ladder)trans-137.2125.2175-178.70000109.7L42 R43 Y52 A269 N270L42-C54 CarbonylContact O-C 3.54Å; L42-C54 VanDerWaalsContact O-CA 3.29Å; L42-C54 WeakPolarHBondContact O-CA 3.49Å; R43-C54 HydrophobicContact CG-CB 4.31Å; Y52-C54 HydrophobicContact CD1-CB 4.42Å; Y52-C54 HydrophobicContact CE1-CB 3.44Å; Y52-C54 VanDerWaalsContact CE1-CB 3.44Å; Y52-C54 WeakPolarHBondContact OH-CB 2.96Å; C54-A269 CarbonylContact O-C 3.48Å; C54-A269 WeakPolarHBondContact O-CA 3.32Å; C54-N270 PolarHBondContact N-O 2.73Å; C54-N270 PolarHBondContact O-N 2.98Å
55V96.3Very high93.3Very high0 Ų040.6 Ų40.60%022%0.224CC..EExtended strand (participates in β ladder)trans-121113.4171-175.40000108.4A20 L24 A41 L42 F57 F239 V267 E268 A269 F271A20-V55 HydrophobicContact CB-CB 4.28Å; A20-V55 HydrophobicContact CB-CG1 3.99Å; A20-V55 HydrophobicContact CB-CG2 4.2Å; L24-V55 HydrophobicContact CD1-CG2 4.19Å; L24-V55 HydrophobicContact CD2-CG2 4.2Å; L24-V55 HydrophobicContact CG-CG2 4.31Å; A41-V55 CarbonylContact C-O 3.53Å; A41-V55 WeakPolarHBondContact CA-O 3.46Å; L42-V55 HydrophobicContact CB-CB 4.46Å; L42-V55 PolarHBondContact N-O 3.38Å; L42-V55 PolarHBondContact O-N 3.47Å; V55-F57 HydrophobicContact CB-CE2 4.24Å; V55-F57 HydrophobicContact CG1-CD2 4.25Å; V55-F57 HydrophobicContact CG1-CE1 4.43Å; V55-F57 HydrophobicContact CG1-CE2 3.59Å; V55-F57 HydrophobicContact CG1-CZ 3.7Å; V55-F239 HydrophobicContact CG1-CE1 3.86Å; V55-F239 HydrophobicContact CG1-CZ 3.63Å; V55-F239 HydrophobicContact CG2-CE1 4.44Å; V55-V267 HydrophobicContact CG1-CG1 3.95Å; V55-E268 CarbonylContact C-O 3.59Å; V55-E268 WeakPolarHBondContact CA-O 3.27Å; V55-A269 HydrophobicContact CG1-CB 4.49Å; V55-A269 HydrophobicContact CG2-CB 3.98Å; V55-F271 HydrophobicContact CG2-CE2 4.09Å
56L95.4Very high93.1Very high26 Ų2644.2 Ų44.214%0.13624%0.24CC..EExtended strand (participates in β ladder)trans-98.1121.8177.5175.765000109.6K38 A41 V267 E268K38-L56 HydrophobicContact CB-CD2 4.28Å; A41-L56 HydrophobicContact CB-CD1 4.05Å; L56-V267 WeakPolarHBondContact O-CA 3.44Å; L56-E268 HydrophobicContact CB-CB 4.34Å; L56-E268 PolarHBondContact N-O 2.98Å; L56-E268 PolarHBondContact O-N 2.84Å
57F96.6Very high92.8Very high0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-99.4120.9171.9-64.3-89000109.4V16 F17 A20 G39 L40 L42 V55 F61 F62 V267V16-F57 HydrophobicContact CG1-CE1 4.31Å; F17-F57 HydrophobicContact CB-CZ 4.45Å; F17-F57 HydrophobicContact CD2-CD2 4.26Å; F17-F57 HydrophobicContact CD2-CE1 4.38Å; F17-F57 AromaticContact CD2-CE2 3.85Å; F17-F57 HydrophobicContact CD2-CE2 3.85Å; F17-F57 AromaticContact CD2-CZ 3.92Å; F17-F57 HydrophobicContact CD2-CZ 3.92Å; F17-F57 HydrophobicContact CE2-CD2 4.46Å; F17-F57 HydrophobicContact CE2-CE2 4.19Å; A20-F57 HydrophobicContact CB-CE2 4.13Å; A20-F57 HydrophobicContact CB-CZ 3.62Å; G39-F57 CarbonylContact C-O 3.59Å; G39-F57 WeakPolarHBondContact CA-O 2.96Å; L40-F57 PolarHBondContact N-O 2.86Å; L40-F57 PolarHBondContact O-N 3.48Å; L42-F57 HydrophobicContact CD1-CE2 3.67Å; L42-F57 HydrophobicContact CD1-CZ 4.47Å; L42-F57 HydrophobicContact CG-CD2 4.34Å; L42-F57 HydrophobicContact CG-CE2 3.89Å; V55-F57 HydrophobicContact CB-CE2 4.24Å; V55-F57 HydrophobicContact CG1-CD2 4.25Å; V55-F57 HydrophobicContact CG1-CE1 4.43Å; V55-F57 HydrophobicContact CG1-CE2 3.59Å; V55-F57 HydrophobicContact CG1-CZ 3.7Å; F57-F61 HydrophobicContact CB-CB 4.38Å; F57-F61 HydrophobicContact CB-CD1 4.06Å; F57-F61 HydrophobicContact CB-CG 4.31Å; F57-F61 AromaticContact CD1-CD1 3.61Å; F57-F61 HydrophobicContact CD1-CD1 3.61Å; F57-F61 HydrophobicContact CD1-CD2 4.07Å; F57-F61 AromaticContact CD1-CE1 3.54Å; F57-F61 HydrophobicContact CD1-CE1 3.54Å; F57-F61 AromaticContact CD1-CE2 3.99Å; F57-F61 HydrophobicContact CD1-CE2 3.99Å; F57-F61 AromaticContact CD1-CG 3.88Å; F57-F61 HydrophobicContact CD1-CG 3.88Å; F57-F61 AromaticContact CD1-CZ 3.72Å; F57-F61 HydrophobicContact CD1-CZ 3.72Å; F57-F61 HydrophobicContact CE1-CD1 4.48Å; F57-F61 AromaticContact CE1-CE1 3.97Å; F57-F61 HydrophobicContact CE1-CE1 3.97Å; F57-F61 HydrophobicContact CE1-CE2 4.22Å; F57-F61 AromaticContact CE1-CZ 3.82Å; F57-F61 HydrophobicContact CE1-CZ 3.82Å; F57-F61 HydrophobicContact CG-CD1 4.18Å; F57-F61 HydrophobicContact CG-CE1 4.34Å; F57-F62 HydrophobicContact CB-CE2 3.66Å; F57-F62 HydrophobicContact CB-CZ 3.61Å; F57-F62 HydrophobicContact CG-CZ 4.24Å; F57-V267 HydrophobicContact CD1-CG1 4.49Å; F57-V267 HydrophobicContact CD1-CG2 3.72Å; F57-V267 HydrophobicContact CE1-CG1 4.33Å; F57-V267 HydrophobicContact CE1-CG2 3.97Å
58S95.6Very high92.4Very high31 Ų3141.8 Ų41.822%0.21722%0.218CC..PPolyproline II helixtrans-55.9150174.9172.90000111.4V60 F61 F62 L266S58-V60 PolarHBondContact O-N 3.08Å; S58-V60 VanDerWaalsContact O-N 3.13Å; S58-V60 PolarHBondContact OG-N 3.03Å; S58-F61 WeakPolarHBondContact O-CB 3.3Å; S58-F61 PolarHBondContact O-N 2.9Å; S58-F62 WeakPolarHBondContact O-CD2 3.49Å; S58-L266 WeakPolarHBondContact CB-O 3.47Å; S58-L266 PolarHBondContact N-O 3.41Å
59P94.3Very high91.1Very high43 Ų4340.7 Ų40.728%0.27921%0.213SC..G310 helixtrans-56.4-31.4174.3-23.235.1000112.3K38 F61 F62 Y65K38-P59 WeakPolarHBondContact O-CD 3.26Å; P59-F61 VanDerWaalsContact C-N 3.25Å; P59-F61 PolarHBondContact O-N 3.05Å; P59-F62 PolarHBondContact O-N 3.44Å; P59-F62 VanDerWaalsContact O-N 3.14Å; P59-Y65 HydrophobicContact CB-CD1 3.96Å; P59-Y65 HydrophobicContact CB-CG 4.26Å; P59-Y65 HydrophobicContact CG-CD1 4.34Å
60V94.6Very high89.4Confident109 Ų10937.5 Ų37.566%0.66120%0.204SC*.G310 helixtrans-71.4-20.3179.2-170.50000112.1S58 F62 L266S58-V60 PolarHBondContact O-N 3.08Å; S58-V60 VanDerWaalsContact O-N 3.13Å; S58-V60 PolarHBondContact OG-N 3.03Å; V60-F62 PolarHBondContact O-N 2.89Å; V60-L266 HydrophobicContact CB-CD2 4.1Å; V60-L266 HydrophobicContact CG1-CD2 4.1Å
61F94.8Very high87.1Confident8 Ų840.2 Ų40.24%0.03522%0.22CC..G310 helixtrans-62-27.1170.1178-96.4000111.8M9 Q13 V16 F57 S58 P59 L266 V267M9-F61 HydrophobicContact CG-CE1 4.38Å; M9-F61 HydrophobicContact SD-CE1 4.01Å; Q13-F61 HydrophobicContact CB-CE1 3.98Å; Q13-F61 HydrophobicContact CB-CE2 4.27Å; Q13-F61 HydrophobicContact CB-CZ 3.71Å; Q13-F61 HydrophobicContact CG-CE1 4.38Å; Q13-F61 HydrophobicContact CG-CE2 4.12Å; Q13-F61 HydrophobicContact CG-CZ 4.05Å; Q13-F61 PolarHBondContact NE2-O 2.96Å; Q13-F61 WeakPolarHBondContact O-CZ 3.36Å; Q13-F61 PolarHBondContact OE1-O 2.94Å; V16-F61 HydrophobicContact CB-CE2 4.22Å; V16-F61 HydrophobicContact CB-CZ 4.18Å; V16-F61 HydrophobicContact CG1-CE2 4.23Å; V16-F61 HydrophobicContact CG1-CZ 4.42Å; F57-F61 HydrophobicContact CB-CB 4.38Å; F57-F61 HydrophobicContact CB-CD1 4.06Å; F57-F61 HydrophobicContact CB-CG 4.31Å; F57-F61 AromaticContact CD1-CD1 3.61Å; F57-F61 HydrophobicContact CD1-CD1 3.61Å; F57-F61 HydrophobicContact CD1-CD2 4.07Å; F57-F61 AromaticContact CD1-CE1 3.54Å; F57-F61 HydrophobicContact CD1-CE1 3.54Å; F57-F61 AromaticContact CD1-CE2 3.99Å; F57-F61 HydrophobicContact CD1-CE2 3.99Å; F57-F61 AromaticContact CD1-CG 3.88Å; F57-F61 HydrophobicContact CD1-CG 3.88Å; F57-F61 AromaticContact CD1-CZ 3.72Å; F57-F61 HydrophobicContact CD1-CZ 3.72Å; F57-F61 HydrophobicContact CE1-CD1 4.48Å; F57-F61 AromaticContact CE1-CE1 3.97Å; F57-F61 HydrophobicContact CE1-CE1 3.97Å; F57-F61 HydrophobicContact CE1-CE2 4.22Å; F57-F61 AromaticContact CE1-CZ 3.82Å; F57-F61 HydrophobicContact CE1-CZ 3.82Å; F57-F61 HydrophobicContact CG-CD1 4.18Å; F57-F61 HydrophobicContact CG-CE1 4.34Å; S58-F61 WeakPolarHBondContact O-CB 3.3Å; S58-F61 PolarHBondContact O-N 2.9Å; P59-F61 VanDerWaalsContact C-N 3.25Å; P59-F61 PolarHBondContact O-N 3.05Å; F61-L266 HydrophobicContact CB-CB 4.25Å; F61-L266 HydrophobicContact CD2-CB 4.17Å; F61-V267 HydrophobicContact CD2-CG2 3.88Å; F61-V267 HydrophobicContact CE2-CG2 4.09Å
62F94.8Very high84.4Confident11 Ų1148.8 Ų48.85%0.04826%0.257CS..SBendtrans-96.8142.4-178.4-56-80.8000110.6C7 V8 M9 L40 F57 S58 P59 V60 H64 Y65C7-F62 HydrophobicContact CB-CD1 3.75Å; C7-F62 HydrophobicContact CB-CE1 3.9Å; C7-F62 HydrophobicContact CB-CG 4.37Å; V8-F62 CarbonylContact O-C 3.56Å; V8-F62 WeakPolarHBondContact O-CA 3.21Å; V8-F62 WeakPolarHBondContact O-CB 3.33Å; M9-F62 HydrophobicContact CG-CD1 3.55Å; M9-F62 HydrophobicContact CG-CE1 3.88Å; M9-F62 HydrophobicContact SD-CD1 4.15Å; M9-F62 HydrophobicContact SD-CE1 3.83Å; L40-F62 HydrophobicContact CB-CE2 4.01Å; L40-F62 HydrophobicContact CB-CZ 3.83Å; L40-F62 HydrophobicContact CD2-CZ 4.06Å; F57-F62 HydrophobicContact CB-CE2 3.66Å; F57-F62 HydrophobicContact CB-CZ 3.61Å; F57-F62 HydrophobicContact CG-CZ 4.24Å; S58-F62 WeakPolarHBondContact O-CD2 3.49Å; P59-F62 PolarHBondContact O-N 3.44Å; P59-F62 VanDerWaalsContact O-N 3.14Å; V60-F62 PolarHBondContact O-N 2.89Å; F62-H64 PolarHBondContact O-N 3.11Å; F62-Y65 AromaticContact CD2-CD2 3.73Å; F62-Y65 HydrophobicContact CD2-CD2 3.73Å; F62-Y65 HydrophobicContact CD2-CG 4.2Å; F62-Y65 AromaticContact CE2-CD2 3.98Å; F62-Y65 HydrophobicContact CE2-CD2 3.98Å; F62-Y65 HydrophobicContact CE2-CE2 4.43Å; F62-Y65 HydrophobicContact CG-CD2 4.31Å
63Q94.1Very high81.5Confident108 Ų10856 Ų5651%0.50529%0.293SS..SBendtrans-60.9-30.8168.6-66.6-177-8.300111.9V8V8-Q63 HydrophobicContact CB-CB 4.39Å; V8-Q63 HydrophobicContact CG1-CB 4.07Å; V8-Q63 PolarHBondContact O-N 2.69Å
64H92.8Very high78.6Confident80 Ų8061 Ų6137%0.3733%0.328SS..EExtended strand (participates in β ladder)trans-152.5118.3174.3175.5-72.2000108.3C7 V8 F62 Q66C7-H64 CarbonylContact C-O 3.54Å; C7-H64 WeakPolarHBondContact CA-O 3.47Å; V8-H64 HydrophobicContact CB-CB 3.9Å; V8-H64 HydrophobicContact CG2-CB 3.84Å; V8-H64 PolarHBondContact N-O 2.92Å; F62-H64 PolarHBondContact O-N 3.11Å; H64-Q66 VanDerWaalsContact CE1-CB 3.47Å; H64-Q66 WeakPolarHBondContact CE1-CB 3.48Å
65Y93Very high76Confident45 Ų4569.3 Ų69.318%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-115120.7173.2-177.7-102.9000108.9L5 C7 P35 S36 G39 L40 P59 F62 W67L5-Y65 HydrophobicContact CD1-CE2 3.88Å; C7-Y65 VanDerWaalsContact SG-CD2 3.53Å; P35-Y65 WeakPolarHBondContact CA-OH 3.47Å; P35-Y65 WeakPolarHBondContact CB-OH 3.46Å; S36-Y65 PolarHBondContact N-OH 2.86Å; S36-Y65 PolarHBondContact O-OH 2.8Å; S36-Y65 VanDerWaalsContact O-OH 3.08Å; G39-Y65 PolarHBondContact O-OH 2.81Å; L40-Y65 HydrophobicContact CB-CE2 4.04Å; P59-Y65 HydrophobicContact CB-CD1 3.96Å; P59-Y65 HydrophobicContact CB-CG 4.26Å; P59-Y65 HydrophobicContact CG-CD1 4.34Å; F62-Y65 AromaticContact CD2-CD2 3.73Å; F62-Y65 HydrophobicContact CD2-CD2 3.73Å; F62-Y65 HydrophobicContact CD2-CG 4.2Å; F62-Y65 AromaticContact CE2-CD2 3.98Å; F62-Y65 HydrophobicContact CE2-CD2 3.98Å; F62-Y65 HydrophobicContact CE2-CE2 4.43Å; F62-Y65 HydrophobicContact CG-CD2 4.31Å; Y65-W67 HydrophobicContact CE1-CB 3.92Å
66Q89.5Confident73.4Confident88 Ų8876.4 Ų76.441%0.41140%0.403SS..EExtended strand (participates in β ladder)trans-133129.3173.2179.6-179.410.900108.9K6 H64K6-Q66 HydrophobicContact CB-CB 4.33Å; K6-Q66 PolarHBondContact N-O 2.8Å; K6-Q66 PolarHBondContact O-N 2.79Å; H64-Q66 VanDerWaalsContact CE1-CB 3.47Å; H64-Q66 WeakPolarHBondContact CE1-CB 3.48Å
67W84.4Confident70.7Confident47 Ų4784.1 Ų84.118%0.17844%0.439CS..EExtended strand (participates in β ladder)trans-135.4135.9178.8166.2-118.3000108.2A3 M4 L5 P35 Y65 A69 L84A3-W67 HydrophobicContact CB-CH2 3.48Å; A3-W67 VanDerWaalsContact CB-CH2 3.48Å; A3-W67 HydrophobicContact CB-CZ2 4.42Å; A3-W67 HydrophobicContact CB-CZ3 3.9Å; M4-W67 WeakPolarHBondContact O-CA 3.13Å; L5-W67 HydrophobicContact CB-CE3 4.15Å; L5-W67 HydrophobicContact CB-CZ3 4.42Å; L5-W67 HydrophobicContact CD1-CE3 4.43Å; P35-W67 HydrophobicContact CB-CB 4.44Å; P35-W67 HydrophobicContact CB-CD2 3.59Å; P35-W67 HydrophobicContact CB-CE3 3.59Å; P35-W67 HydrophobicContact CB-CG 3.98Å; P35-W67 HydrophobicContact CB-CZ3 4.17Å; P35-W67 HydrophobicContact CG-CD2 3.55Å; P35-W67 HydrophobicContact CG-CE3 3.23Å; P35-W67 HydrophobicContact CG-CG 4.43Å; P35-W67 HydrophobicContact CG-CH2 3.6Å; P35-W67 HydrophobicContact CG-CZ2 3.85Å; P35-W67 HydrophobicContact CG-CZ3 3.28Å; P35-W67 PolarHBondContact O-NE1 2.79Å; Y65-W67 HydrophobicContact CE1-CB 3.92Å; W67-A69 HydrophobicContact CZ2-CB 3.98Å; W67-L84 HydrophobicContact CH2-CB 3.36Å; W67-L84 HydrophobicContact CH2-CD1 4.34Å; W67-L84 HydrophobicContact CH2-CG 4.42Å; W67-L84 HydrophobicContact CZ2-CB 4.36Å; W67-L84 HydrophobicContact CZ3-CB 3.57Å; W67-L84 HydrophobicContact CZ3-CD1 4.03Å; W67-L84 HydrophobicContact CZ3-CG 4.27Å
68S77.6Confident67.9Low47 Ų4790.7 Ų90.733%0.32947%0.473SS..EExtended strand (participates in β ladder)trans-127.2109.5173.8-175.10000109.1A3 M4 L70A3-S68 VanDerWaalsContact CA-O 3.24Å; A3-S68 WeakPolarHBondContact CA-O 3.2Å; A3-S68 WeakPolarHBondContact CB-O 3.39Å; M4-S68 PolarHBondContact N-O 3.12Å; M4-S68 PolarHBondContact O-N 2.62Å; S68-L70 PolarHBondContact O-N 3.48Å
69A61.6Low65Low49 Ų4997.2 Ų97.241%0.40551%0.506SS..  trans-84.792.3162.500000106.8W67W67-A69 HydrophobicContact CZ2-CB 3.98Å
70L53.1Low62.4Low55 Ų5599.5 Ų99.529%0.28852%0.519SS..  trans-130110.2171.7-164.978.6000109.7M1 S68 K72M1-L70 HydrophobicContact CB-CD2 3.96Å; S68-L70 PolarHBondContact O-N 3.48Å; L70-K72 HydrophobicContact CD1-CD 4.46Å; L70-K72 HydrophobicContact CD1-CG 4.02Å
71V43.4Very low60Low74 Ų7499 Ų9945%0.44852%0.517SS..  trans-124.7101.7144.1176.90000105.6M73 L82V71-M73 HydrophobicContact CG1-CG 4.12Å; V71-L82 HydrophobicContact CB-CD1 3.87Å; V71-L82 HydrophobicContact CG1-CD1 4.12Å; V71-L82 HydrophobicContact CG2-CB 4.08Å; V71-L82 HydrophobicContact CG2-CD1 3.48Å; V71-L82 VanDerWaalsContact CG2-CD1 3.48Å; V71-L82 HydrophobicContact CG2-CG 4.31Å
72K36Very low58Low182 Ų182101.9 Ų101.979%0.79153%0.532SS*.  trans-94.7108.7154.5-78-172.3176.2-168.10105.6L70L70-K72 HydrophobicContact CD1-CD 4.46Å; L70-K72 HydrophobicContact CD1-CG 4.02Å
73M33.6Very low56.2Low159 Ų159104.6 Ų104.678%0.78355%0.547SS*.  trans-116.5117.8154-74.2-59.9-170.100105.9V71V71-M73 HydrophobicContact CG1-CG 4.12Å
74S34.2Very low54.8Low105 Ų105100 Ų10073%0.73453%0.526SS*.  trans46.2135.3165.6470000119.7N76S74-N76 PolarHBondContact O-N 3.41Å
75E40.3Very low53.8Low188 Ų18899.6 Ų99.688%0.87952%0.523SS*.SBendtrans-49.1128.5166.1-66.3167.316900110
76N42.9Very low53.4Low149 Ų14997.5 Ų97.580%0.79752%0.515SS*.SBendtrans82.178.6-176.1-48.8-23.6000115S74S74-N76 PolarHBondContact O-N 3.41Å
77E38.6Very low53.4Low189 Ų18994.8 Ų94.888%0.88350%0.501SS*.SBend175.5128.1128.8-93.3168.9-159.800109.4
78L37.7Very low53.7Low137 Ų13792.7 Ų92.772%0.71749%0.494SS*.  trans7.6117.9173-16563.7000118.2T80L78-T80 VanDerWaalsContact C-N 3.29Å; L78-T80 PolarHBondContact O-N 3.08Å; L78-T80 PolarHBondContact O-OG1 2.89Å
79D33.9Very low54.4Low168 Ų16892.1 Ų92.190%0.89850%0.495SS*.  trans-47.482.5172-98-28.6000112.6T81D79-T81 PolarHBondContact O-N 2.78Å
80T40.8Very low55.9Low92 Ų9290 Ų9056%0.56448%0.477SS*.  trans-89.191.9176.7-50.80000107.1L78 L82L78-T80 VanDerWaalsContact C-N 3.29Å; L78-T80 PolarHBondContact O-N 3.08Å; L78-T80 PolarHBondContact O-OG1 2.89Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 HydrophobicContact CG2-CD2 4.17Å; T80-L82 HydrophobicContact CG2-CG 4.36Å; T80-L82 PolarHBondContact O-N 3.01Å
81T44Very low57.8Low99 Ų9995.3 Ų95.361%0.60750%0.498SS*.  trans-61.793.3172.644.60000109.8D79 N83D79-T81 PolarHBondContact O-N 2.78Å; T81-N83 PolarHBondContact O-N 3.1Å
82L51.3Low60.1Low67 Ų6795 Ų9535%0.35150%0.499SS..  trans-74.492.2174.6-70.6171.6000109V71 T80V71-L82 HydrophobicContact CB-CD1 3.87Å; V71-L82 HydrophobicContact CG1-CD1 4.12Å; V71-L82 HydrophobicContact CG2-CB 4.08Å; V71-L82 HydrophobicContact CG2-CD1 3.48Å; V71-L82 VanDerWaalsContact CG2-CD1 3.48Å; V71-L82 HydrophobicContact CG2-CG 4.31Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 HydrophobicContact CG2-CD2 4.17Å; T80-L82 HydrophobicContact CG2-CG 4.36Å; T80-L82 PolarHBondContact O-N 3.01Å
83N56.9Low62.8Low69 Ų6986.5 Ų86.537%0.36946%0.462SS..  trans-55.4150.3166.6-65.1-36.5000109.6T81 K85T81-N83 PolarHBondContact O-N 3.1Å; N83-K85 PolarHBondContact O-N 2.8Å
84L65.2Low65.6Low11 Ų1181.6 Ų81.66%0.05844%0.439CS..  trans-59.8105.5177-168.284.9000108.2A3 L5 L33 P35 W67 C86 T114A3-L84 HydrophobicContact CB-CD1 4.17Å; L5-L84 HydrophobicContact CB-CD2 4.37Å; L5-L84 HydrophobicContact CD2-CD2 4.38Å; L33-L84 HydrophobicContact CB-CD2 4.49Å; P35-L84 HydrophobicContact CG-CB 3.57Å; P35-L84 HydrophobicContact CG-CD2 4.15Å; W67-L84 HydrophobicContact CH2-CB 3.36Å; W67-L84 HydrophobicContact CH2-CD1 4.34Å; W67-L84 HydrophobicContact CH2-CG 4.42Å; W67-L84 HydrophobicContact CZ2-CB 4.36Å; W67-L84 HydrophobicContact CZ3-CB 3.57Å; W67-L84 HydrophobicContact CZ3-CD1 4.03Å; W67-L84 HydrophobicContact CZ3-CG 4.27Å; L84-C86 VanDerWaalsContact C-N 3.26Å; L84-C86 HydrophobicContact CD2-CB 3.42Å; L84-C86 VanDerWaalsContact CD2-CB 3.42Å; L84-C86 HydrophobicContact CG-CB 3.72Å; L84-C86 PolarHBondContact O-N 2.82Å; L84-T114 HydrophobicContact CD1-CG2 3.98Å; L84-T114 HydrophobicContact CD2-CG2 3.6Å; L84-T114 HydrophobicContact CG-CG2 4.43Å
85K71.7Confident68.4Low71 Ų7179.5 Ų79.531%0.30942%0.423SS..  trans-8177.3174.1-66.4-169.4-172.3-169.90107.5N83 E141 S142 Q143N83-K85 PolarHBondContact O-N 2.8Å; K85-E141 VanDerWaalsContact O-CA 3.27Å; K85-E141 WeakPolarHBondContact O-CA 3.45Å; K85-S142 WeakPolarHBondContact CA-O 3.42Å; K85-S142 VanDerWaalsContact CB-O 3.27Å; K85-S142 WeakPolarHBondContact CB-O 3.44Å; K85-Q143 HydrophobicContact CD-CB 4.28Å
86C83.9Confident70.9Confident1 Ų171.2 Ų71.21%0.00738%0.384CS..EExtended strand (participates in β ladder)trans-115.5100.5-176174.10000111.3W32 L33 L84 V121 F139W32-C86 CarbonylContact C-O 3.59Å; W32-C86 WeakPolarHBondContact CA-O 3.33Å; L33-C86 HydrophobicContact CB-CB 4.17Å; L33-C86 PolarHBondContact N-O 3.4Å; L84-C86 VanDerWaalsContact C-N 3.26Å; L84-C86 HydrophobicContact CD2-CB 3.42Å; L84-C86 VanDerWaalsContact CD2-CB 3.42Å; L84-C86 HydrophobicContact CG-CB 3.72Å; L84-C86 PolarHBondContact O-N 2.82Å; C86-V121 WeakPolarHBondContact SG-CG2 3.3Å; C86-F139 HydrophobicContact CB-CD2 4.07Å; C86-F139 HydrophobicContact CB-CE2 4.49Å; C86-F139 HydrophobicContact CB-CG 4.28Å; C86-F139 WeakPolarHBondContact SG-CB 3.26Å; C86-F139 VanDerWaalsContact SG-CG 3.56Å
87K89.6Confident73.1Confident31 Ų3164.1 Ų64.114%0.13535%0.346CS..EExtended strand (participates in β ladder)trans-98.7126.1173.4-175.2-177.3-179.7-174.60110.5E30 L31 W32 F139 Q140E30-K87 WeakPolarHBondContact OE1-CE 3.48Å; E30-K87 IonicContact OE1-NZ 3.15Å; E30-K87 PolarHBondContact OE1-NZ 2.99Å; E30-K87 WeakPolarHBondContact OE2-CE 3.32Å; E30-K87 IonicContact OE2-NZ 2.72Å; E30-K87 PolarHBondContact OE2-NZ 3.37Å; L31-K87 CarbonylContact O-C 3.57Å; W32-K87 HydrophobicContact CD2-CG 4.46Å; W32-K87 HydrophobicContact CZ2-CD 4.08Å; W32-K87 HydrophobicContact CZ2-CG 4.43Å; K87-F139 CarbonylContact O-C 3.55Å; K87-F139 VanDerWaalsContact O-CA 3.29Å; K87-F139 WeakPolarHBondContact O-CA 3.48Å; K87-F139 WeakPolarHBondContact O-CB 3.41Å; K87-Q140 HydrophobicContact CB-CB 4.41Å; K87-Q140 WeakPolarHBondContact CB-O 3.34Å; K87-Q140 PolarHBondContact N-O 2.99Å; K87-Q140 PolarHBondContact O-N 3.47Å
88L91.7Very high75.5Confident4 Ų463.4 Ų63.42%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-116.7143.1-177-63.5174.8000110.4L31 L33 I93 V121 I137 F139L31-L88 HydrophobicContact CB-CB 4.47Å; L31-L88 PolarHBondContact N-O 3.17Å; L31-L88 PolarHBondContact O-N 2.79Å; L33-L88 HydrophobicContact CD1-CD1 3.62Å; L33-L88 HydrophobicContact CD2-CD1 4.28Å; L33-L88 HydrophobicContact CG-CD1 3.72Å; L88-I93 HydrophobicContact CD1-CD1 4.31Å; L88-V121 HydrophobicContact CD1-CG2 4.34Å; L88-V121 HydrophobicContact CD2-CB 4.27Å; L88-V121 HydrophobicContact CD2-CG2 3.89Å; L88-I137 HydrophobicContact CD2-CB 4.37Å; L88-I137 HydrophobicContact CD2-CG2 3.81Å; L88-F139 HydrophobicContact CD2-CB 3.54Å; L88-F139 HydrophobicContact CG-CB 4.44Å
89G92.4Very high77.8Confident34 Ų3460.8 Ų60.835%0.35133%0.327SS..EExtended strand (participates in β ladder)trans-78.2128.1170.600000111.6K91 S92 I93G89-K91 PolarHBondContact O-N 3.09Å; G89-S92 PolarHBondContact O-N 3.28Å; G89-I93 PolarHBondContact O-N 3.15Å
90M93.1Very high80.4Confident4 Ų453.1 Ų53.12%0.0229%0.286CS..Hα-helixtrans-60-34.7179.8-161.661.972.600111.6V21 L24 S25 D29 L31 S92 I93 L94V21-M90 HydrophobicContact CG1-SD 3.9Å; L24-M90 HydrophobicContact CB-CE 4.33Å; S25-M90 VanDerWaalsContact CB-CG 3.4Å; D29-M90 WeakPolarHBondContact O-CB 3.44Å; D29-M90 PolarHBondContact O-N 3.26Å; L31-M90 HydrophobicContact CB-CE 3.83Å; L31-M90 HydrophobicContact CD1-CE 4.19Å; L31-M90 HydrophobicContact CG-CE 4.42Å; M90-S92 PolarHBondContact O-N 2.91Å; M90-S92 VanDerWaalsContact O-N 3.14Å; M90-I93 PolarHBondContact O-N 3.11Å; M90-I93 HydrophobicContact SD-CG2 3.66Å; M90-L94 HydrophobicContact CG-CB 4.36Å; M90-L94 WeakPolarHBondContact O-CB 3.47Å; M90-L94 PolarHBondContact O-N 2.8Å
91K91.9Very high82.6Confident167 Ų16753.5 Ų53.573%0.72629%0.285SS*.Hα-helixtrans-55.9-28.8174.7-65.5-178.5-178.9174.60113.5G89 P95G89-K91 PolarHBondContact O-N 3.09Å; K91-P95 VanDerWaalsContact O-CD 3.23Å; K91-P95 WeakPolarHBondContact O-CD 3.39Å; K91-P95 VanDerWaalsContact O-CG 3.3Å; K91-P95 WeakPolarHBondContact O-CG 3.46Å
92S92.3Very high84.7Confident68 Ų6851.7 Ų51.748%0.47628%0.276SS..Hα-helixtrans-89.7-35.1179.4-55.70000113.2G89 M90G89-S92 PolarHBondContact O-N 3.28Å; M90-S92 PolarHBondContact O-N 2.91Å; M90-S92 VanDerWaalsContact O-N 3.14Å
93I92.8Very high86.3Confident3 Ų348.9 Ų48.92%0.01526%0.262CS..Hα-helixtrans-88.1-37.7-176.1-165.7171.7000112.8V21 L31 L88 G89 M90 P95 I96 F97 I123 I137V21-I93 HydrophobicContact CG1-CD1 4.41Å; V21-I93 HydrophobicContact CG1-CG1 4.28Å; V21-I93 HydrophobicContact CG1-CG2 3.94Å; V21-I93 HydrophobicContact CG2-CD1 4.3Å; L31-I93 HydrophobicContact CD2-CD1 3.86Å; L31-I93 HydrophobicContact CD2-CG2 4.41Å; L88-I93 HydrophobicContact CD1-CD1 4.31Å; G89-I93 PolarHBondContact O-N 3.15Å; M90-I93 PolarHBondContact O-N 3.11Å; M90-I93 HydrophobicContact SD-CG2 3.66Å; I93-P95 VanDerWaalsContact C-CD 3.49Å; I93-I96 VanDerWaalsContact O-CB 3.24Å; I93-I96 WeakPolarHBondContact O-CB 3.45Å; I93-I96 PolarHBondContact O-N 3Å; I93-F97 HydrophobicContact CD1-CE2 4.09Å; I93-F97 HydrophobicContact CG1-CD2 3.88Å; I93-F97 HydrophobicContact CG1-CE2 3.66Å; I93-F97 WeakPolarHBondContact O-CD2 3.23Å; I93-I123 HydrophobicContact CG1-CD1 4.44Å; I93-I137 HydrophobicContact CB-CD1 4.21Å; I93-I137 HydrophobicContact CG1-CD1 4.24Å
94L92.1Very high87.8Confident56 Ų5648.4 Ų48.429%0.29326%0.257SS..G310 helixtrans-58.5-41.5-176.3-170.567000113.5Q22 M90 I96 F97 R98Q22-L94 HydrophobicContact CG-CD1 4.04Å; M90-L94 HydrophobicContact CG-CB 4.36Å; M90-L94 WeakPolarHBondContact O-CB 3.47Å; M90-L94 PolarHBondContact O-N 2.8Å; L94-I96 PolarHBondContact O-N 3.25Å; L94-F97 CarbonylContact O-C 3.51Å; L94-F97 PolarHBondContact O-N 3.28Å; L94-F97 VanDerWaalsContact O-N 3.14Å; L94-R98 PolarHBondContact O-N 2.91Å
95P93.2Very high89Confident62 Ų6256.7 Ų56.740%0.40329%0.288SS..G310 helixtrans-62.3-27.2176.9-23.635.3000113.9K91 I93 F97K91-P95 VanDerWaalsContact O-CD 3.23Å; K91-P95 WeakPolarHBondContact O-CD 3.39Å; K91-P95 VanDerWaalsContact O-CG 3.3Å; K91-P95 WeakPolarHBondContact O-CG 3.46Å; I93-P95 VanDerWaalsContact C-CD 3.49Å; P95-F97 VanDerWaalsContact C-N 3.29Å
96I92.4Very high89.8Confident13 Ų1356.3 Ų56.37%0.06729%0.289CS..G310 helixtrans-67.6-36.3179-54.9177.1000110I93 L94 I123 F125 H135 I137I93-I96 VanDerWaalsContact O-CB 3.24Å; I93-I96 WeakPolarHBondContact O-CB 3.45Å; I93-I96 PolarHBondContact O-N 3Å; L94-I96 PolarHBondContact O-N 3.25Å; I96-I123 HydrophobicContact CD1-CD1 4.17Å; I96-F125 HydrophobicContact CG2-CE2 3.42Å; I96-F125 VanDerWaalsContact CG2-CE2 3.42Å; I96-F125 HydrophobicContact CG2-CZ 3.65Å; I96-H135 HydrophobicContact CD1-CB 3.73Å; I96-H135 HydrophobicContact CG1-CB 4.44Å; I96-I137 HydrophobicContact CD1-CD1 3.49Å; I96-I137 VanDerWaalsContact CD1-CD1 3.49Å; I96-I137 HydrophobicContact CD1-CG1 4.01Å
97F90.8Very high90.1Very high0 Ų056.4 Ų56.40%029%0.29CS..G310 helixtrans-102.823.8-177.7-65.2-75.3000112.9V14 F17 V21 Q22 I93 L94 P95 L100 I123 F125V14-F97 HydrophobicContact CG1-CE1 4.29Å; F17-F97 AromaticContact CD1-CE1 3.92Å; F17-F97 HydrophobicContact CD1-CE1 3.92Å; F17-F97 HydrophobicContact CD1-CE2 4.43Å; F17-F97 AromaticContact CD1-CZ 3.76Å; F17-F97 HydrophobicContact CD1-CZ 3.76Å; F17-F97 HydrophobicContact CE1-CE1 4.38Å; F17-F97 HydrophobicContact CE1-CE2 4.15Å; F17-F97 AromaticContact CE1-CZ 3.74Å; F17-F97 HydrophobicContact CE1-CZ 3.74Å; V21-F97 HydrophobicContact CG1-CD2 4.36Å; V21-F97 HydrophobicContact CG2-CD2 4.44Å; Q22-F97 PolarHBondContact NE2-O 2.89Å; I93-F97 HydrophobicContact CD1-CE2 4.09Å; I93-F97 HydrophobicContact CG1-CD2 3.88Å; I93-F97 HydrophobicContact CG1-CE2 3.66Å; I93-F97 WeakPolarHBondContact O-CD2 3.23Å; L94-F97 CarbonylContact O-C 3.51Å; L94-F97 PolarHBondContact O-N 3.28Å; L94-F97 VanDerWaalsContact O-N 3.14Å; P95-F97 VanDerWaalsContact C-N 3.29Å; F97-L100 HydrophobicContact CB-CD2 3.96Å; F97-L100 HydrophobicContact CD1-CD2 4.07Å; F97-L100 WeakPolarHBondContact O-CD2 3.36Å; F97-L100 WeakPolarHBondContact O-CG 3.27Å; F97-I123 HydrophobicContact CE2-CD1 4.03Å; F97-I123 HydrophobicContact CZ-CD1 4.22Å; F97-F125 HydrophobicContact CE1-CZ 4.26Å
98R87.9Confident90Very high175 Ų17560.3 Ų60.366%0.6631%0.308SS*.SBendtrans-67.9-47.2-178.3-178.9174.9-87.5132-7.1113L94L94-R98 PolarHBondContact O-N 2.91Å
99C86.3Confident90.1Very high81 Ų8163.8 Ų63.855%0.54732%0.323SS..  trans-106.163.1-172.9-61.20000112.6N101 S102 L103C99-N101 VanDerWaalsContact C-N 3.35Å; C99-N101 PolarHBondContact O-N 3.38Å; C99-S102 PolarHBondContact O-N 3.23Å; C99-S102 VanDerWaalsContact O-N 3.09Å; C99-L103 WeakPolarHBondContact O-CG 3.34Å; C99-L103 PolarHBondContact O-N 3.17Å
100L87.7Confident90.1Very high7 Ų762.1 Ų62.14%0.03731%0.306CS..Hα-helixtrans-58-38.2-171.6-63.6175.9000114.9K15 K19 F97 S102 L103 E104K15-L100 HydrophobicContact CG-CB 4.42Å; K19-L100 HydrophobicContact CB-CD1 4.48Å; K19-L100 HydrophobicContact CD-CD1 3.79Å; K19-L100 HydrophobicContact CG-CD1 3.68Å; F97-L100 HydrophobicContact CB-CD2 3.96Å; F97-L100 HydrophobicContact CD1-CD2 4.07Å; F97-L100 WeakPolarHBondContact O-CD2 3.36Å; F97-L100 WeakPolarHBondContact O-CG 3.27Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.26Å; L100-L103 HydrophobicContact CD2-CD1 4.12Å; L100-L103 WeakPolarHBondContact O-CB 3.33Å; L100-L103 PolarHBondContact O-N 2.87Å; L100-E104 WeakPolarHBondContact O-CB 3.43Å; L100-E104 PolarHBondContact O-N 3.21Å
101N87.9Confident90.2Very high101 Ų10165 Ų6554%0.5432%0.319SS..Hα-helixtrans-65.8-34.6178.8-65.2-16.7000112.2C99 R105C99-N101 VanDerWaalsContact C-N 3.35Å; C99-N101 PolarHBondContact O-N 3.38Å; N101-R105 WeakPolarHBondContact O-CG 3.39Å; N101-R105 PolarHBondContact O-N 3.05Å
102S86.8Confident90.3Very high60 Ų6057.2 Ų57.242%0.4229%0.285SS..Hα-helixtrans-72.9-40.1173.91790000110.8C99 L100 R105 N106C99-S102 PolarHBondContact O-N 3.23Å; C99-S102 VanDerWaalsContact O-N 3.09Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.26Å; S102-R105 PolarHBondContact O-N 2.96Å; S102-N106 WeakPolarHBondContact O-CB 3.13Å; S102-N106 PolarHBondContact O-N 3.43Å; S102-N106 VanDerWaalsContact O-N 3.1Å; S102-N106 PolarHBondContact O-ND2 3.22Å; S102-N106 PolarHBondContact OG-ND2 3.27Å; S102-N106 VanDerWaalsContact OG-ND2 3.12Å
103L86.3Confident90.2Very high9 Ų956 Ų565%0.04727%0.271CS..Hα-helixtrans-60-47.9176.5-70.5171000111.1V14 C99 L100 R105 N106 I107V14-L103 HydrophobicContact CG1-CB 4.41Å; C99-L103 WeakPolarHBondContact O-CG 3.34Å; C99-L103 PolarHBondContact O-N 3.17Å; L100-L103 HydrophobicContact CD2-CD1 4.12Å; L100-L103 WeakPolarHBondContact O-CB 3.33Å; L100-L103 PolarHBondContact O-N 2.87Å; L103-R105 PolarHBondContact O-N 3.33Å; L103-N106 PolarHBondContact O-N 3.11Å; L103-I107 HydrophobicContact CB-CD1 3.72Å; L103-I107 HydrophobicContact CD2-CD1 3.32Å; L103-I107 HydrophobicContact CD2-CG1 4.41Å; L103-I107 HydrophobicContact CG-CD1 4.08Å; L103-I107 WeakPolarHBondContact O-CB 3.37Å; L103-I107 WeakPolarHBondContact O-CD1 3.46Å; L103-I107 WeakPolarHBondContact O-CG1 3.24Å; L103-I107 PolarHBondContact O-N 3.05Å
104E88.4Confident90Very high58 Ų5856.3 Ų56.327%0.27127%0.273SS..Hα-helixtrans-56.1-44.9178.3179.8179.4-145.900113K15 L100K15-E104 HydrophobicContact CB-CB 4.34Å; K15-E104 HydrophobicContact CD-CB 4.32Å; K15-E104 HydrophobicContact CD-CG 4.29Å; K15-E104 WeakPolarHBondContact CD-OE1 3.33Å; K15-E104 WeakPolarHBondContact CD-OE2 3.4Å; K15-E104 WeakPolarHBondContact CE-OE2 3.16Å; K15-E104 IonicContact NZ-OE1 2.7Å; K15-E104 PolarHBondContact NZ-OE1 3.26Å; K15-E104 IonicContact NZ-OE2 2.76Å; K15-E104 PolarHBondContact NZ-OE2 3.32Å; L100-E104 WeakPolarHBondContact O-CB 3.43Å; L100-E104 PolarHBondContact O-N 3.21Å
105R89.3Confident89.5Confident185 Ų18558.1 Ų58.170%0.69828%0.276SS*.Hα-helixtrans-74.8-35.7-176.2-68.6179.6-175.2-173.10.9113.2N101 S102 L103 R128N101-R105 WeakPolarHBondContact O-CG 3.39Å; N101-R105 PolarHBondContact O-N 3.05Å; S102-R105 PolarHBondContact O-N 2.96Å; L103-R105 PolarHBondContact O-N 3.33Å; R105-R128 PolarHBondContact O-NE 3.13Å
106N88.6Confident88.4Confident63 Ų6358 Ų5834%0.33728%0.276SS..Hα-helixtrans-99-22.2-168.4-64.8-62.3000113.8S102 L103 Y127 R128S102-N106 WeakPolarHBondContact O-CB 3.13Å; S102-N106 PolarHBondContact O-N 3.43Å; S102-N106 VanDerWaalsContact O-N 3.1Å; S102-N106 PolarHBondContact O-ND2 3.22Å; S102-N106 PolarHBondContact OG-ND2 3.27Å; S102-N106 VanDerWaalsContact OG-ND2 3.12Å; L103-N106 PolarHBondContact O-N 3.11Å; N106-Y127 HydrophobicContact CB-CD1 3.73Å; N106-Y127 HydrophobicContact CB-CE1 3.94Å; N106-Y127 WeakPolarHBondContact O-CA 3.14Å; N106-R128 PolarHBondContact O-N 3.49Å; N106-R128 VanDerWaalsContact O-N 3.15Å
107I89.8Confident87.4Confident4 Ų462.1 Ų62.12%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-88.6129.7-178.2-68.6164.6000110.7L103 K109 F125 Y127L103-I107 HydrophobicContact CB-CD1 3.72Å; L103-I107 HydrophobicContact CD2-CD1 3.32Å; L103-I107 HydrophobicContact CD2-CG1 4.41Å; L103-I107 HydrophobicContact CG-CD1 4.08Å; L103-I107 WeakPolarHBondContact O-CB 3.37Å; L103-I107 WeakPolarHBondContact O-CD1 3.46Å; L103-I107 WeakPolarHBondContact O-CG1 3.24Å; L103-I107 PolarHBondContact O-N 3.05Å; I107-K109 VanDerWaalsContact CG2-C 3.48Å; I107-K109 VanDerWaalsContact CG2-N 3.32Å; I107-K109 WeakPolarHBondContact CG2-O 3.38Å; I107-F125 HydrophobicContact CD1-CB 4Å; I107-F125 HydrophobicContact CD1-CD1 3.22Å; I107-F125 HydrophobicContact CD1-CE1 3.79Å; I107-F125 HydrophobicContact CD1-CG 3.76Å; I107-F125 HydrophobicContact CG1-CB 4.17Å; I107-F125 HydrophobicContact CG1-CD1 4.17Å; I107-F125 HydrophobicContact CG1-CG 4.46Å; I107-F125 HydrophobicContact CG2-CD1 4.49Å; I107-Y127 HydrophobicContact CG1-CD1 4.35Å; I107-Y127 HydrophobicContact CG1-CE1 4.1Å
108E88.8Confident86.4Confident112 Ų11267.6 Ų67.652%0.52332%0.322SS..EExtended strand (participates in β ladder)trans-82.9-43.5167.3-63-176156.400110.8F126 R128E108-F126 PolarHBondContact N-O 2.79Å; E108-R128 HydrophobicContact CG-CB 4.23Å; E108-R128 HydrophobicContact CG-CG 3.47Å; E108-R128 VanDerWaalsContact CG-CG 3.47Å; E108-R128 VanDerWaalsContact OE1-CA 3.31Å; E108-R128 WeakPolarHBondContact OE1-CA 3.28Å
109K92.6Very high86.1Confident77 Ų7761.8 Ų61.834%0.33531%0.308SS..EExtended strand (participates in β ladder)trans-149.1137.1-171.4-168.5169.5-166.31600111.4V8 M9 I107 F126V8-K109 HydrophobicContact CG1-CD 4.05Å; V8-K109 HydrophobicContact CG1-CG 3.82Å; M9-K109 CarbonylContact O-C 3.54Å; M9-K109 WeakPolarHBondContact O-CA 3.48Å; I107-K109 VanDerWaalsContact CG2-C 3.48Å; I107-K109 VanDerWaalsContact CG2-N 3.32Å; I107-K109 WeakPolarHBondContact CG2-O 3.38Å; K109-F126 HydrophobicContact CB-CB 4.21Å; K109-F126 HydrophobicContact CB-CD2 4.32Å; K109-F126 PolarHBondContact N-O 2.87Å; K109-F126 WeakPolarHBondContact O-CD2 3.27Å; K109-F126 PolarHBondContact O-N 3.32Å
110C94.2Very high86.1Confident0 Ų061.2 Ų61.20%030%0.297CS..EExtended strand (participates in β ladder)trans-114.3135.5167.7179.60000109.5V8 M9 V14 Q124 F125V8-C110 CarbonylContact C-O 3.53Å; V8-C110 VanDerWaalsContact CA-O 3.3Å; V8-C110 WeakPolarHBondContact CA-O 3.45Å; M9-C110 HydrophobicContact CB-CB 4.36Å; M9-C110 HydrophobicContact CE-CB 4.35Å; M9-C110 PolarHBondContact N-O 3.39Å; M9-C110 PolarHBondContact O-N 3.17Å; V14-C110 HydrophobicContact CG2-CB 3.25Å; C110-Q124 CarbonylContact C-O 3.49Å; C110-Q124 VanDerWaalsContact CA-O 3.26Å; C110-Q124 WeakPolarHBondContact CA-O 3.33Å; C110-F125 HydrophobicContact CB-CD1 3.95Å; C110-F125 HydrophobicContact CB-CE1 4.14Å; C110-F125 VanDerWaalsContact SG-CE1 3.57Å
111K94.3Very high86.3Confident64 Ų6461 Ų6128%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-119.8126.1173.3-59.4-176.8-176.2169.40109.1C7 V8 I123 Q124 F126C7-K111 CarbonylContact O-C 3.5Å; C7-K111 WeakPolarHBondContact O-CA 3.34Å; V8-K111 HydrophobicContact CG2-CG 4.2Å; K111-I123 WeakPolarHBondContact O-CA 3.41Å; K111-Q124 HydrophobicContact CB-CB 4.38Å; K111-Q124 PolarHBondContact N-O 2.83Å; K111-Q124 PolarHBondContact O-N 2.8Å; K111-F126 HydrophobicContact CB-CE2 4.29Å; K111-F126 HydrophobicContact CD-CE2 3.59Å; K111-F126 HydrophobicContact CD-CZ 4Å; K111-F126 HydrophobicContact CG-CD2 4.39Å; K111-F126 HydrophobicContact CG-CE2 3.73Å
112I93.5Very high86.5Confident4 Ų456.3 Ų56.32%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-112.2125.3171.5-59-177.7000107K6 C7 M9 F17 V121 V122 I123K6-I112 CarbonylContact C-O 3.5Å; K6-I112 WeakPolarHBondContact CA-O 3.36Å; C7-I112 HydrophobicContact CB-CB 4.44Å; C7-I112 PolarHBondContact N-O 2.86Å; C7-I112 PolarHBondContact O-N 3.26Å; M9-I112 HydrophobicContact CE-CD1 3.42Å; M9-I112 VanDerWaalsContact CE-CD1 3.42Å; M9-I112 HydrophobicContact CE-CG1 3.93Å; F17-I112 HydrophobicContact CE1-CD1 3.9Å; F17-I112 HydrophobicContact CZ-CD1 3.89Å; I112-V121 HydrophobicContact CG2-CG1 3.96Å; I112-V122 WeakPolarHBondContact CA-O 3.13Å; I112-I123 HydrophobicContact CG1-CG1 4.23Å; I112-I123 HydrophobicContact CG1-CG2 4.28Å
113F91Very high86.9Confident43 Ų4353.5 Ų53.519%0.18925%0.251CS..EExtended strand (participates in β ladder)trans-146.1152.5173.660.8-84.4000112.8L5 K6 R115 V122 Q124L5-F113 CarbonylContact O-C 3.5Å; L5-F113 WeakPolarHBondContact O-CA 3.34Å; L5-F113 VanDerWaalsContact O-CB 3.29Å; L5-F113 WeakPolarHBondContact O-CB 2.94Å; K6-F113 HydrophobicContact CB-CB 4.29Å; K6-F113 HydrophobicContact CG-CB 4.42Å; F113-R115 HydrophobicContact CD2-CG 4.06Å; F113-R115 HydrophobicContact CE2-CG 3.8Å; F113-V122 HydrophobicContact CD1-CB 4.3Å; F113-V122 HydrophobicContact CD2-CB 4.19Å; F113-V122 HydrophobicContact CD2-CG2 4.45Å; F113-V122 HydrophobicContact CE1-CB 3.86Å; F113-V122 HydrophobicContact CE1-CG1 3.81Å; F113-V122 HydrophobicContact CE2-CB 3.73Å; F113-V122 HydrophobicContact CE2-CG1 4.19Å; F113-V122 HydrophobicContact CE2-CG2 3.87Å; F113-V122 HydrophobicContact CG-CB 4.46Å; F113-V122 HydrophobicContact CZ-CB 3.55Å; F113-V122 HydrophobicContact CZ-CG1 3.53Å; F113-V122 HydrophobicContact CZ-CG2 4.08Å; F113-V122 PolarHBondContact N-O 3.46Å; F113-V122 PolarHBondContact O-N 3.13Å; F113-Q124 HydrophobicContact CE1-CG 4.09Å
114T87.8Confident87.3Confident8 Ų854.3 Ų54.35%0.04925%0.254CS..EExtended strand (participates in β ladder)trans-92.9138.5176.156.50000110.6A3 L5 L84 V121A3-T114 PolarHBondContact O-OG1 3.17Å; L5-T114 HydrophobicContact CB-CG2 3.86Å; L5-T114 PolarHBondContact N-OG1 3.38Å; L5-T114 PolarHBondContact O-N 3.13Å; L84-T114 HydrophobicContact CD1-CG2 3.98Å; L84-T114 HydrophobicContact CD2-CG2 3.6Å; L84-T114 HydrophobicContact CG-CG2 4.43Å; T114-V121 HydrophobicContact CG2-CG2 4.12Å
115R81.2Confident87.6Confident95 Ų9551.6 Ų51.636%0.35824%0.241SC..EExtended strand (participates in β ladder)trans-112.693.9172.6-80.4-16669.11486.1107.8F113 D117 K118 C119 K120 V122F113-R115 HydrophobicContact CD2-CG 4.06Å; F113-R115 HydrophobicContact CE2-CG 3.8Å; R115-D117 VanDerWaalsContact CB-OD1 3.29Å; R115-D117 WeakPolarHBondContact CB-OD1 3.39Å; R115-D117 IonicContact CZ-OD1 3.94Å; R115-D117 IonicContact CZ-OD2 3.61Å; R115-D117 IonicContact NE-OD1 3.2Å; R115-D117 PolarHBondContact NE-OD1 3.38Å; R115-D117 IonicContact NE-OD2 3.63Å; R115-D117 IonicContact NH2-OD1 3.77Å; R115-D117 IonicContact NH2-OD2 2.75Å; R115-D117 PolarHBondContact NH2-OD2 2.77Å; R115-D117 PolarHBondContact O-N 3.05Å; R115-K118 PolarHBondContact O-N 2.96Å; R115-C119 PolarHBondContact O-N 2.92Å; R115-C119 VanDerWaalsContact O-N 3.12Å; R115-K120 HydrophobicContact CB-CB 4.42Å; R115-K120 PolarHBondContact N-O 3.14Å; R115-K120 PolarHBondContact O-N 3.41Å; R115-K120 VanDerWaalsContact O-N 3.16Å; R115-V122 HydrophobicContact CG-CG2 3.96Å
116S71.3Confident87.8Confident58 Ų5845.1 Ų45.141%0.40622%0.219SC..G310 helixtrans-64.4-27.7-179.557.70000113A2 K118A2-S116 WeakPolarHBondContact CB-OG 3.44Å; S116-K118 PolarHBondContact O-N 3.29Å
117D72.1Confident87.9Confident101 Ų10144.2 Ų44.254%0.5421%0.211SC..G310 helixtrans-63.5-21.317764.5-37.1000113.2R115R115-D117 VanDerWaalsContact CB-OD1 3.29Å; R115-D117 WeakPolarHBondContact CB-OD1 3.39Å; R115-D117 IonicContact CZ-OD1 3.94Å; R115-D117 IonicContact CZ-OD2 3.61Å; R115-D117 IonicContact NE-OD1 3.2Å; R115-D117 PolarHBondContact NE-OD1 3.38Å; R115-D117 IonicContact NE-OD2 3.63Å; R115-D117 IonicContact NH2-OD1 3.77Å; R115-D117 IonicContact NH2-OD2 2.75Å; R115-D117 PolarHBondContact NH2-OD2 2.77Å; R115-D117 PolarHBondContact O-N 3.05Å
118K69.3Low87.7Confident114 Ų11451.5 Ų51.550%0.49624%0.238SC..G310 helixtrans-134.511.1-172.3-63.9-177.2-176.2-170.60113.9R115 S116 K120R115-K118 PolarHBondContact O-N 2.96Å; S116-K118 PolarHBondContact O-N 3.29Å; K118-K120 HydrophobicContact CB-CB 4.49Å; K118-K120 HydrophobicContact CB-CD 3.97Å; K118-K120 HydrophobicContact CB-CG 4.39Å; K118-K120 VanDerWaalsContact O-CG 3.32Å; K118-K120 WeakPolarHBondContact O-CG 3.36Å; K118-K120 PolarHBondContact O-N 2.74Å
119C80.9Confident87.5Confident53 Ų5353.7 Ų53.736%0.35825%0.248SC..THydrogen-bonded Turntrans44.646.4-173.3-55.10000112.6R115 C138 F139R115-C119 PolarHBondContact O-N 2.92Å; R115-C119 VanDerWaalsContact O-N 3.12Å; C119-C138 WeakPolarHBondContact O-CA 3.08Å; C119-F139 VanDerWaalsContact CA-CE1 3.42Å; C119-F139 HydrophobicContact CB-CE1 4.23Å; C119-F139 HydrophobicContact CB-CE2 4.45Å; C119-F139 HydrophobicContact CB-CZ 4.17Å; C119-F139 WeakPolarHBondContact O-CD1 3.45Å; C119-F139 PolarHBondContact O-N 3.11Å
120K87.4Confident87.2Confident70 Ų7053.6 Ų53.630%0.30427%0.268SS..EExtended strand (participates in β ladder)trans-122.3133.3-176.1-80.2165.9-168.9-175.40112.1R115 K118 N136 I137 F139R115-K120 HydrophobicContact CB-CB 4.42Å; R115-K120 PolarHBondContact N-O 3.14Å; R115-K120 PolarHBondContact O-N 3.41Å; R115-K120 VanDerWaalsContact O-N 3.16Å; K118-K120 HydrophobicContact CB-CB 4.49Å; K118-K120 HydrophobicContact CB-CD 3.97Å; K118-K120 HydrophobicContact CB-CG 4.39Å; K118-K120 VanDerWaalsContact O-CG 3.32Å; K118-K120 WeakPolarHBondContact O-CG 3.36Å; K118-K120 PolarHBondContact O-N 2.74Å; K120-N136 HydrophobicContact CD-CB 4.43Å; K120-I137 CarbonylContact C-O 3.5Å; K120-I137 VanDerWaalsContact CA-O 3.27Å; K120-I137 WeakPolarHBondContact CA-O 3.37Å; K120-F139 VanDerWaalsContact N-CE1 3.32Å
121V90.7Very high87.1Confident2 Ų258.6 Ų58.61%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-89.6124.3160.8178.60000107.7L33 C86 L88 I112 T114 I123 I137 F139L33-V121 HydrophobicContact CD1-CG1 4.21Å; L33-V121 HydrophobicContact CD1-CG2 4.06Å; C86-V121 WeakPolarHBondContact SG-CG2 3.3Å; L88-V121 HydrophobicContact CD1-CG2 4.34Å; L88-V121 HydrophobicContact CD2-CB 4.27Å; L88-V121 HydrophobicContact CD2-CG2 3.89Å; I112-V121 HydrophobicContact CG2-CG1 3.96Å; T114-V121 HydrophobicContact CG2-CG2 4.12Å; V121-I123 HydrophobicContact CG1-CG1 4.35Å; V121-I137 PolarHBondContact N-O 2.89Å; V121-I137 PolarHBondContact O-N 3.41Å; V121-F139 HydrophobicContact CG2-CB 4.46Å; V121-F139 HydrophobicContact CG2-CD1 3.88Å
122V92.5Very high87Confident2 Ų260.6 Ų60.61%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-107.4120.5179.7-172.70000108.9I112 F113 R115 Q124 T134 H135 N136I112-V122 WeakPolarHBondContact CA-O 3.13Å; F113-V122 HydrophobicContact CD1-CB 4.3Å; F113-V122 HydrophobicContact CD2-CB 4.19Å; F113-V122 HydrophobicContact CD2-CG2 4.45Å; F113-V122 HydrophobicContact CE1-CB 3.86Å; F113-V122 HydrophobicContact CE1-CG1 3.81Å; F113-V122 HydrophobicContact CE2-CB 3.73Å; F113-V122 HydrophobicContact CE2-CG1 4.19Å; F113-V122 HydrophobicContact CE2-CG2 3.87Å; F113-V122 HydrophobicContact CG-CB 4.46Å; F113-V122 HydrophobicContact CZ-CB 3.55Å; F113-V122 HydrophobicContact CZ-CG1 3.53Å; F113-V122 HydrophobicContact CZ-CG2 4.08Å; F113-V122 PolarHBondContact N-O 3.46Å; F113-V122 PolarHBondContact O-N 3.13Å; R115-V122 HydrophobicContact CG-CG2 3.96Å; V122-Q124 HydrophobicContact CG1-CG 3.94Å; V122-T134 HydrophobicContact CG1-CG2 3.6Å; V122-H135 WeakPolarHBondContact CA-O 3.33Å; V122-N136 WeakPolarHBondContact CG2-OD1 3.4Å
123I94.4Very high87Confident2 Ų266.6 Ų66.61%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-108.3118.2174.3-53.4-177.3000108I93 I96 F97 K111 I112 V121 F125 H135 I137I93-I123 HydrophobicContact CG1-CD1 4.44Å; I96-I123 HydrophobicContact CD1-CD1 4.17Å; F97-I123 HydrophobicContact CE2-CD1 4.03Å; F97-I123 HydrophobicContact CZ-CD1 4.22Å; K111-I123 WeakPolarHBondContact O-CA 3.41Å; I112-I123 HydrophobicContact CG1-CG1 4.23Å; I112-I123 HydrophobicContact CG1-CG2 4.28Å; V121-I123 HydrophobicContact CG1-CG1 4.35Å; I123-F125 HydrophobicContact CG2-CE1 4.23Å; I123-F125 HydrophobicContact CG2-CE2 3.95Å; I123-F125 HydrophobicContact CG2-CZ 3.74Å; I123-H135 HydrophobicContact CB-CB 4.37Å; I123-H135 PolarHBondContact N-O 2.79Å; I123-H135 PolarHBondContact O-N 2.8Å; I123-I137 HydrophobicContact CD1-CD1 3.78Å; I123-I137 HydrophobicContact CG1-CD1 4.37Å
124Q94.5Very high87.1Confident25 Ų2567.3 Ų67.312%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-116.7123.3-179.5-66.3-176.9-13.300110.9C110 K111 F113 V122 F126 K132 R133 T134C110-Q124 CarbonylContact C-O 3.49Å; C110-Q124 VanDerWaalsContact CA-O 3.26Å; C110-Q124 WeakPolarHBondContact CA-O 3.33Å; K111-Q124 HydrophobicContact CB-CB 4.38Å; K111-Q124 PolarHBondContact N-O 2.83Å; K111-Q124 PolarHBondContact O-N 2.8Å; F113-Q124 HydrophobicContact CE1-CG 4.09Å; V122-Q124 HydrophobicContact CG1-CG 3.94Å; Q124-F126 HydrophobicContact CB-CE2 3.78Å; Q124-F126 HydrophobicContact CB-CZ 4.28Å; Q124-K132 VanDerWaalsContact NE2-NZ 3.19Å; Q124-K132 VanDerWaalsContact OE1-CE 3.27Å; Q124-R133 CarbonylContact C-O 3.58Å; Q124-R133 WeakPolarHBondContact CA-O 3.4Å; Q124-T134 HydrophobicContact CG-CG2 3.85Å
125F94.6Very high87.4Confident1 Ų168.6 Ų68.60%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-101.4130.1170.7-58.7-68000110.3V14 I96 F97 I107 C110 I123 Y127 K132 R133 H135V14-F125 HydrophobicContact CG1-CE1 4.12Å; I96-F125 HydrophobicContact CG2-CE2 3.42Å; I96-F125 VanDerWaalsContact CG2-CE2 3.42Å; I96-F125 HydrophobicContact CG2-CZ 3.65Å; F97-F125 HydrophobicContact CE1-CZ 4.26Å; I107-F125 HydrophobicContact CD1-CB 4Å; I107-F125 HydrophobicContact CD1-CD1 3.22Å; I107-F125 HydrophobicContact CD1-CE1 3.79Å; I107-F125 HydrophobicContact CD1-CG 3.76Å; I107-F125 HydrophobicContact CG1-CB 4.17Å; I107-F125 HydrophobicContact CG1-CD1 4.17Å; I107-F125 HydrophobicContact CG1-CG 4.46Å; I107-F125 HydrophobicContact CG2-CD1 4.49Å; C110-F125 HydrophobicContact CB-CD1 3.95Å; C110-F125 HydrophobicContact CB-CE1 4.14Å; C110-F125 VanDerWaalsContact SG-CE1 3.57Å; I123-F125 HydrophobicContact CG2-CE1 4.23Å; I123-F125 HydrophobicContact CG2-CE2 3.95Å; I123-F125 HydrophobicContact CG2-CZ 3.74Å; F125-Y127 HydrophobicContact CB-CD2 4.27Å; F125-Y127 HydrophobicContact CB-CE2 3.68Å; F125-K132 WeakPolarHBondContact O-CA 3.24Å; F125-R133 HydrophobicContact CB-CB 4.37Å; F125-R133 PolarHBondContact N-O 2.85Å; F125-R133 PolarHBondContact O-N 3.16Å; F125-H135 AromaticContact CD2-CD2 3.85Å; F125-H135 AromaticContact CD2-NE2 3.94Å; F125-H135 AromaticContact CE2-CD2 3.68Å; F125-H135 AromaticContact CE2-NE2 3.83Å
126F93.5Very high87.9Confident50 Ų5068.9 Ų68.922%0.21935%0.347CS..EExtended strand (participates in β ladder)trans-108.7115.6173.4-61.4-95.9000107.7E108 K109 K111 Q124 K132E108-F126 PolarHBondContact N-O 2.79Å; K109-F126 HydrophobicContact CB-CB 4.21Å; K109-F126 HydrophobicContact CB-CD2 4.32Å; K109-F126 PolarHBondContact N-O 2.87Å; K109-F126 WeakPolarHBondContact O-CD2 3.27Å; K109-F126 PolarHBondContact O-N 3.32Å; K111-F126 HydrophobicContact CB-CE2 4.29Å; K111-F126 HydrophobicContact CD-CE2 3.59Å; K111-F126 HydrophobicContact CD-CZ 4Å; K111-F126 HydrophobicContact CG-CD2 4.39Å; K111-F126 HydrophobicContact CG-CE2 3.73Å; Q124-F126 HydrophobicContact CB-CE2 3.78Å; Q124-F126 HydrophobicContact CB-CZ 4.28Å; F126-K132 HydrophobicContact CD1-CD 4.49Å; F126-K132 HydrophobicContact CD1-CG 4.29Å; F126-K132 HydrophobicContact CE1-CD 3.83Å; F126-K132 HydrophobicContact CE1-CG 4.08Å; F126-K132 HydrophobicContact CZ-CD 4.19Å; F126-K132 HydrophobicContact CZ-CG 4.46Å
127Y91.3Very high88.9Confident43 Ų4366.4 Ų66.417%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-95.1156.1-177.5-69.7-101.3000111N106 I107 F125 H129 G130 I131 R133N106-Y127 HydrophobicContact CB-CD1 3.73Å; N106-Y127 HydrophobicContact CB-CE1 3.94Å; N106-Y127 WeakPolarHBondContact O-CA 3.14Å; I107-Y127 HydrophobicContact CG1-CD1 4.35Å; I107-Y127 HydrophobicContact CG1-CE1 4.1Å; F125-Y127 HydrophobicContact CB-CD2 4.27Å; F125-Y127 HydrophobicContact CB-CE2 3.68Å; Y127-H129 PolarHBondContact O-N 3.44Å; Y127-G130 PolarHBondContact O-N 3.29Å; Y127-I131 WeakPolarHBondContact CB-O 3.39Å; Y127-I131 HydrophobicContact CD2-CB 4.43Å; Y127-I131 HydrophobicContact CD2-CG2 4.32Å; Y127-I131 WeakPolarHBondContact CD2-O 3.47Å; Y127-I131 HydrophobicContact CG-CB 4.47Å; Y127-I131 PolarHBondContact N-O 3.11Å; Y127-R133 HydrophobicContact CE2-CB 3.83Å
128R85.9Confident89.6Confident158 Ų15865.9 Ų65.960%0.59633%0.333SS*.THydrogen-bonded Turntrans-55.3-24.6-177.8-68179.4-177-1671.6115.8R105 N106 E108 G130R105-R128 PolarHBondContact O-NE 3.13Å; N106-R128 PolarHBondContact O-N 3.49Å; N106-R128 VanDerWaalsContact O-N 3.15Å; E108-R128 HydrophobicContact CG-CB 4.23Å; E108-R128 HydrophobicContact CG-CG 3.47Å; E108-R128 VanDerWaalsContact CG-CG 3.47Å; E108-R128 VanDerWaalsContact OE1-CA 3.31Å; E108-R128 WeakPolarHBondContact OE1-CA 3.28Å; R128-G130 VanDerWaalsContact C-N 3.34Å
129H85.3Confident90.4Very high158 Ų15861.6 Ų61.673%0.73131%0.314SS*.THydrogen-bonded Turntrans-96.624.5-178.8-54.3-60.5000113.1Y127 I131Y127-H129 PolarHBondContact O-N 3.44Å; H129-I131 HydrophobicContact CB-CD1 4.5Å; H129-I131 PolarHBondContact O-N 3.17Å; H129-I131 VanDerWaalsContact O-N 3.16Å
130G86.1Confident90.6Very high74 Ų7464.9 Ų64.976%0.76332%0.324SS*.SBendtrans71.94.2-178.500000114.6Y127 R128Y127-G130 PolarHBondContact O-N 3.29Å; R128-G130 VanDerWaalsContact C-N 3.34Å
131I91.3Very high90.3Very high105 Ų10568 Ų6854%0.53834%0.34SS..  trans-74.2132.5177.5-59.5170.6000108.9Y127 H129Y127-I131 WeakPolarHBondContact CB-O 3.39Å; Y127-I131 HydrophobicContact CD2-CB 4.43Å; Y127-I131 HydrophobicContact CD2-CG2 4.32Å; Y127-I131 WeakPolarHBondContact CD2-O 3.47Å; Y127-I131 HydrophobicContact CG-CB 4.47Å; Y127-I131 PolarHBondContact N-O 3.11Å; H129-I131 HydrophobicContact CB-CD1 4.5Å; H129-I131 PolarHBondContact O-N 3.17Å; H129-I131 VanDerWaalsContact O-N 3.16Å
132K92.6Very high89.8Confident106 Ų10669.6 Ų69.646%0.46135%0.351SS..EExtended strand (participates in β ladder)trans-116.3121.2175-175.6-174.8177.2-176.10110.5Q124 F125 F126Q124-K132 VanDerWaalsContact NE2-NZ 3.19Å; Q124-K132 VanDerWaalsContact OE1-CE 3.27Å; F125-K132 WeakPolarHBondContact O-CA 3.24Å; F126-K132 HydrophobicContact CD1-CD 4.49Å; F126-K132 HydrophobicContact CD1-CG 4.29Å; F126-K132 HydrophobicContact CE1-CD 3.83Å; F126-K132 HydrophobicContact CE1-CG 4.08Å; F126-K132 HydrophobicContact CZ-CD 4.19Å; F126-K132 HydrophobicContact CZ-CG 4.46Å
133R92.9Very high89.1Confident131 Ų13174 Ų7449%0.49437%0.371SS..EExtended strand (participates in β ladder)trans-107.4124.4173.2-165.6-179.7-175.1-175.1-1.4109.7Q124 F125 Y127 H135Q124-R133 CarbonylContact C-O 3.58Å; Q124-R133 WeakPolarHBondContact CA-O 3.4Å; F125-R133 HydrophobicContact CB-CB 4.37Å; F125-R133 PolarHBondContact N-O 2.85Å; F125-R133 PolarHBondContact O-N 3.16Å; Y127-R133 HydrophobicContact CE2-CB 3.83Å; R133-H135 VanDerWaalsContact CD-NE2 3.33Å; R133-H135 WeakPolarHBondContact CD-NE2 3.41Å; R133-H135 PolarHBondContact NE-CE1 3.45Å; R133-H135 VanDerWaalsContact NE-CE1 3.33Å; R133-H135 PolarHBondContact NE-NE2 3.05Å
134T94.2Very high87.9Confident58 Ų5874.9 Ų74.936%0.35638%0.377SS..EExtended strand (participates in β ladder)trans-118.3127-178.4-57.40000110V122 Q124V122-T134 HydrophobicContact CG1-CG2 3.6Å; Q124-T134 HydrophobicContact CG-CG2 3.85Å
135H93.3Very high86.9Confident34 Ų3476.7 Ų76.716%0.15739%0.387CS..EExtended strand (participates in β ladder)trans-113.2127.1174.9-60.9-91.7000109I96 V122 I123 F125 R133I96-H135 HydrophobicContact CD1-CB 3.73Å; I96-H135 HydrophobicContact CG1-CB 4.44Å; V122-H135 WeakPolarHBondContact CA-O 3.33Å; I123-H135 HydrophobicContact CB-CB 4.37Å; I123-H135 PolarHBondContact N-O 2.79Å; I123-H135 PolarHBondContact O-N 2.8Å; F125-H135 AromaticContact CD2-CD2 3.85Å; F125-H135 AromaticContact CD2-NE2 3.94Å; F125-H135 AromaticContact CE2-CD2 3.68Å; F125-H135 AromaticContact CE2-NE2 3.83Å; R133-H135 VanDerWaalsContact CD-NE2 3.33Å; R133-H135 WeakPolarHBondContact CD-NE2 3.41Å; R133-H135 PolarHBondContact NE-CE1 3.45Å; R133-H135 VanDerWaalsContact NE-CE1 3.33Å; R133-H135 PolarHBondContact NE-NE2 3.05Å
136N92Very high85.9Confident101 Ų10181.7 Ų81.754%0.5441%0.41SS..EExtended strand (participates in β ladder)trans-109.3117.6176-58.7-58.7000108K120 V122K120-N136 HydrophobicContact CD-CB 4.43Å; V122-N136 WeakPolarHBondContact CG2-OD1 3.4Å
137I92Very high85.2Confident7 Ų780.3 Ų80.34%0.03641%0.406CS..EExtended strand (participates in β ladder)trans-113.4124.8-179.1-48.2173.2000107.3L88 I93 I96 K120 V121 I123L88-I137 HydrophobicContact CD2-CB 4.37Å; L88-I137 HydrophobicContact CD2-CG2 3.81Å; I93-I137 HydrophobicContact CB-CD1 4.21Å; I93-I137 HydrophobicContact CG1-CD1 4.24Å; I96-I137 HydrophobicContact CD1-CD1 3.49Å; I96-I137 VanDerWaalsContact CD1-CD1 3.49Å; I96-I137 HydrophobicContact CD1-CG1 4.01Å; K120-I137 CarbonylContact C-O 3.5Å; K120-I137 VanDerWaalsContact CA-O 3.27Å; K120-I137 WeakPolarHBondContact CA-O 3.37Å; V121-I137 PolarHBondContact N-O 2.89Å; V121-I137 PolarHBondContact O-N 3.41Å; I123-I137 HydrophobicContact CD1-CD1 3.78Å; I123-I137 HydrophobicContact CG1-CD1 4.37Å
138C87.6Confident84.5Confident90 Ų9083.9 Ų83.961%0.60843%0.427SS*.EExtended strand (participates in β ladder)trans-72.9138.3172-61.10000109.2C119C119-C138 WeakPolarHBondContact O-CA 3.08Å
139F86Confident84.2Confident23 Ų2378.9 Ų78.910%0.10141%0.41CS..  trans-114.7152.3173.870.4-97.2000111C86 K87 L88 C119 K120 V121 E141C86-F139 HydrophobicContact CB-CD2 4.07Å; C86-F139 HydrophobicContact CB-CE2 4.49Å; C86-F139 HydrophobicContact CB-CG 4.28Å; C86-F139 WeakPolarHBondContact SG-CB 3.26Å; C86-F139 VanDerWaalsContact SG-CG 3.56Å; K87-F139 CarbonylContact O-C 3.55Å; K87-F139 VanDerWaalsContact O-CA 3.29Å; K87-F139 WeakPolarHBondContact O-CA 3.48Å; K87-F139 WeakPolarHBondContact O-CB 3.41Å; L88-F139 HydrophobicContact CD2-CB 3.54Å; L88-F139 HydrophobicContact CG-CB 4.44Å; C119-F139 VanDerWaalsContact CA-CE1 3.42Å; C119-F139 HydrophobicContact CB-CE1 4.23Å; C119-F139 HydrophobicContact CB-CE2 4.45Å; C119-F139 HydrophobicContact CB-CZ 4.17Å; C119-F139 WeakPolarHBondContact O-CD1 3.45Å; C119-F139 PolarHBondContact O-N 3.11Å; K120-F139 VanDerWaalsContact N-CE1 3.32Å; V121-F139 HydrophobicContact CG2-CB 4.46Å; V121-F139 HydrophobicContact CG2-CD1 3.88Å; F139-E141 HydrophobicContact CD2-CG 4.34Å; F139-E141 HydrophobicContact CE2-CG 3.81Å
140Q85.4Confident84Confident122 Ų12275.5 Ų75.557%0.5740%0.397SS*.BIsolated β-bridgetrans-98.4138.5170.8-175.7177.33.300109.1K87 S142K87-Q140 HydrophobicContact CB-CB 4.41Å; K87-Q140 WeakPolarHBondContact CB-O 3.34Å; K87-Q140 PolarHBondContact N-O 2.99Å; K87-Q140 PolarHBondContact O-N 3.47Å; Q140-S142 PolarHBondContact O-N 3.4Å
141E80.6Confident84Confident137 Ų13774.7 Ų74.764%0.6437%0.373SS*.  trans-76.2114.1174-71.4-178.7-165.600110.5K85 F139K85-E141 VanDerWaalsContact O-CA 3.27Å; K85-E141 WeakPolarHBondContact O-CA 3.45Å; F139-E141 HydrophobicContact CD2-CG 4.34Å; F139-E141 HydrophobicContact CE2-CG 3.81Å
142S81Confident83.4Confident35 Ų3576.9 Ų76.925%0.24539%0.385CS..  trans-153.8140.2-178.9177.80000110.3K85 Q140K85-S142 WeakPolarHBondContact CA-O 3.42Å; K85-S142 VanDerWaalsContact CB-O 3.27Å; K85-S142 WeakPolarHBondContact CB-O 3.44Å; Q140-S142 PolarHBondContact O-N 3.4Å
143Q75.8Confident83.1Confident95 Ų9576.7 Ų76.744%0.44439%0.393SS..PPolyproline II helixtrans-69.8129.4-179.7-170154.7-21.900110.1K85 L145K85-Q143 HydrophobicContact CD-CB 4.28Å; Q143-L145 PolarHBondContact O-N 3.39Å
144P70.3Confident82.8Confident19 Ų1971.1 Ų71.112%0.12337%0.374CS..PPolyproline II helixtrans-66.9131.1175.827.2-33.1000109.5W32 D34 Q146W32-P144 HydrophobicContact CB-CB 4.2Å; W32-P144 HydrophobicContact CG-CB 4.29Å; D34-P144 HydrophobicContact CB-CB 4.4Å; D34-P144 HydrophobicContact CB-CG 4.34Å; P144-Q146 PolarHBondContact O-N 3.32Å
145L73.8Confident82.7Confident64 Ų6470.9 Ų70.934%0.33537%0.372SS..PPolyproline II helixtrans-69.9128.6167-69.4168.4000108R43 V45 Q143R43-L145 WeakPolarHBondContact CD-O 3.44Å; V45-L145 HydrophobicContact CB-CD1 4.17Å; V45-L145 HydrophobicContact CG1-CD1 4.23Å; V45-L145 HydrophobicContact CG2-CB 3.89Å; V45-L145 HydrophobicContact CG2-CD1 3.75Å; V45-L145 HydrophobicContact CG2-CG 4.44Å; Q143-L145 PolarHBondContact O-N 3.39Å
146Q74.3Confident82.7Confident105 Ų10569.3 Ų69.349%0.49137%0.365SS..  trans-108.7123.7171-168.2171.12.800108.1P144P144-Q146 PolarHBondContact O-N 3.32Å
147V76.9Confident82.8Confident22 Ų2265.5 Ų65.513%0.13335%0.346CS..  trans-103.2122.7173.1179.30000107.9Y52 I272 F381Y52-V147 HydrophobicContact CD1-CB 3.94Å; Y52-V147 HydrophobicContact CD1-CG2 4.23Å; Y52-V147 HydrophobicContact CD2-CB 3.96Å; Y52-V147 HydrophobicContact CD2-CG2 3.4Å; Y52-V147 VanDerWaalsContact CD2-CG2 3.4Å; Y52-V147 HydrophobicContact CE1-CB 4.03Å; Y52-V147 HydrophobicContact CE2-CB 4.11Å; Y52-V147 HydrophobicContact CE2-CG2 3.83Å; Y52-V147 HydrophobicContact CG-CB 3.89Å; Y52-V147 HydrophobicContact CG-CG2 3.64Å; V147-I272 HydrophobicContact CB-CD1 4.08Å; V147-I272 HydrophobicContact CG1-CD1 3.49Å; V147-I272 VanDerWaalsContact CG1-CD1 3.49Å; V147-F381 HydrophobicContact CB-CD1 4.45Å; V147-F381 HydrophobicContact CG1-CB 4.32Å; V147-F381 HydrophobicContact CG1-CD1 3.23Å; V147-F381 HydrophobicContact CG1-CE1 3.6Å; V147-F381 HydrophobicContact CG1-CG 3.86Å; V147-F381 HydrophobicContact CG1-CZ 4.47Å; V147-F381 HydrophobicContact CG2-CB 4.46Å; V147-F381 HydrophobicContact CG2-CD1 4.4Å; V147-F381 HydrophobicContact CG2-CG 4.23Å
148I76.9Confident83Confident117 Ų11765.2 Ų65.260%0.634%0.344SS*.  trans-99117.3171.9-56.8173.2000106.4V384I148-V384 HydrophobicContact CD1-CG2 4.41Å
149F79.3Confident83.4Confident53 Ų5363.6 Ų63.623%0.23233%0.328CS..  trans-126.7123175.3-178.9-97.8000108.7K151 P257 A259 I272F149-K151 HydrophobicContact CD1-CG 4.22Å; F149-K151 PolarHBondContact O-N 3.34Å; F149-P257 HydrophobicContact CD2-CG 4.01Å; F149-P257 HydrophobicContact CE2-CB 4.32Å; F149-P257 HydrophobicContact CE2-CG 3.4Å; F149-P257 HydrophobicContact CZ-CG 4.18Å; F149-A259 HydrophobicContact CD1-CB 3.58Å; F149-A259 HydrophobicContact CE1-CB 3.37Å; F149-A259 HydrophobicContact CZ-CB 4.27Å; F149-I272 HydrophobicContact CB-CD1 3.48Å; F149-I272 VanDerWaalsContact CB-CD1 3.48Å; F149-I272 HydrophobicContact CB-CG1 4.16Å; F149-I272 HydrophobicContact CD2-CG2 4.49Å; F149-I272 HydrophobicContact CG-CD1 4.28Å; F149-I272 HydrophobicContact CG-CG1 4.47Å; F149-I272 HydrophobicContact CG-CG2 4.5Å
150D82.1Confident83.8Confident88 Ų8862.6 Ų62.647%0.47132%0.324SS..  trans-88103.6-179.6-163.9-14.4000110N152 V153D150-N152 PolarHBondContact O-N 3.06Å; D150-N152 WeakPolarHBondContact OD1-CB 3.47Å; D150-N152 PolarHBondContact OD1-N 3.08Å; D150-N152 VanDerWaalsContact OD1-N 3.14Å; D150-N152 PolarHBondContact OD1-ND2 3.1Å; D150-V153 HydrophobicContact CB-CG2 3.98Å
151K85.1Confident84.2Confident57 Ų5760 Ų6025%0.24831%0.312CS..G310 helixtrans-66.6-26.4-179.1-57.4174.6-173174.40112.3F149 V153 C154 Y250 S261 N270F149-K151 HydrophobicContact CD1-CG 4.22Å; F149-K151 PolarHBondContact O-N 3.34Å; K151-V153 PolarHBondContact O-N 3.48Å; K151-C154 PolarHBondContact O-N 3.36Å; K151-Y250 HydrophobicContact CB-CD1 4.02Å; K151-Y250 HydrophobicContact CB-CD2 4.34Å; K151-Y250 HydrophobicContact CB-CE1 4.15Å; K151-Y250 HydrophobicContact CB-CE2 4.47Å; K151-Y250 HydrophobicContact CB-CG 4.13Å; K151-Y250 HydrophobicContact CD-CD2 4.2Å; K151-Y250 HydrophobicContact CD-CE2 3.88Å; K151-Y250 HydrophobicContact CG-CD2 4.29Å; K151-Y250 HydrophobicContact CG-CE2 4.43Å; K151-Y250 HydrophobicContact CG-CG 4.5Å; K151-S261 PolarHBondContact NZ-OG 2.69Å; K151-N270 WeakPolarHBondContact CE-OD1 3.27Å; K151-N270 PolarHBondContact NZ-OD1 2.7Å
152N80.3Confident84.9Confident150 Ų15053.8 Ų53.880%0.80228%0.283SS*.G310 helixtrans-75.7-11.8-172.4-57.8-43.7000113D150D150-N152 PolarHBondContact O-N 3.06Å; D150-N152 WeakPolarHBondContact OD1-CB 3.47Å; D150-N152 PolarHBondContact OD1-N 3.08Å; D150-N152 VanDerWaalsContact OD1-N 3.14Å; D150-N152 PolarHBondContact OD1-ND2 3.1Å
153V84.7Confident85.4Confident103 Ų10361.3 Ų61.362%0.62431%0.306SS*.G310 helixtrans-88.6-15.8-178.9-1750000111.5D150 K151D150-V153 HydrophobicContact CB-CG2 3.98Å; K151-V153 PolarHBondContact O-N 3.48Å
154C88.3Confident86.1Confident14 Ų1458.7 Ų58.710%0.09530%0.295CS..  trans-69.8137.2-178.7-65.70000112.1K151K151-C154 PolarHBondContact O-N 3.36Å
155T90.1Very high87.1Confident53 Ų5357.9 Ų57.933%0.32529%0.29SS..SBendtrans-77.3-31.1-18055.70000113G221 M222 D252T155-G221 PolarHBondContact O-N 3.19Å; T155-M222 HydrophobicContact CG2-CE 4.27Å; T155-D252 VanDerWaalsContact CB-OD1 3.28Å; T155-D252 WeakPolarHBondContact CB-OD1 3.1Å; T155-D252 WeakPolarHBondContact CG2-OD1 3.45Å; T155-D252 PolarHBondContact N-OD1 3.33Å; T155-D252 PolarHBondContact OG1-OD1 2.91Å
156N94Very high88Confident0 Ų055.7 Ų55.70%028%0.281CS..EExtended strand (participates in β ladder)trans-112.3125.5-179.5-61.4-33.9000110I220 G221 M222 T224 Y250 F251N156-I220 HydrophobicContact CB-CD1 3.85Å; N156-I220 WeakPolarHBondContact OD1-CA 3.41Å; N156-G221 PolarHBondContact OD1-N 2.64Å; N156-M222 PolarHBondContact ND2-O 3.41Å; N156-M222 VanDerWaalsContact ND2-O 3.11Å; N156-M222 PolarHBondContact OD1-N 3.44Å; N156-M222 VanDerWaalsContact OD1-N 3.13Å; N156-M222 PolarHBondContact OD1-O 2.77Å; N156-T224 PolarHBondContact ND2-OG1 3.36Å; N156-Y250 WeakPolarHBondContact O-CA 3.49Å; N156-F251 HydrophobicContact CB-CD1 4.08Å; N156-F251 HydrophobicContact CB-CD2 3.99Å; N156-F251 HydrophobicContact CB-CE1 3.79Å; N156-F251 HydrophobicContact CB-CE2 3.69Å; N156-F251 HydrophobicContact CB-CG 4.16Å; N156-F251 HydrophobicContact CB-CZ 3.57Å; N156-F251 WeakPolarHBondContact CB-O 2.88Å; N156-F251 PolarHBondContact N-O 3.43Å; N156-F251 VanDerWaalsContact N-O 3.08Å; N156-F251 WeakPolarHBondContact ND2-CE2 3.44Å; N156-F251 PolarHBondContact O-N 2.8Å
157T95Very high88.7Confident22 Ų2255.8 Ų55.814%0.13529%0.285CS..EExtended strand (participates in β ladder)trans-137124.8-179.6-61.20000110.3F217 Q219 I249 Y250T157-F217 HydrophobicContact CG2-CD1 3.95Å; T157-F217 HydrophobicContact CG2-CE1 3.74Å; T157-Q219 PolarHBondContact N-O 3.05Å; T157-Q219 PolarHBondContact O-N 2.9Å; T157-Q219 VanDerWaalsContact O-O 3.06Å; T157-I249 WeakPolarHBondContact CA-O 3.31Å; T157-Y250 HydrophobicContact CG2-CD1 3.71Å; T157-Y250 HydrophobicContact CG2-CE1 3.46Å; T157-Y250 VanDerWaalsContact CG2-CE1 3.46Å; T157-Y250 WeakPolarHBondContact OG1-CD1 3.42Å
158L95.1Very high89.2Confident0 Ų054.9 Ų54.90%028%0.279CS..EExtended strand (participates in β ladder)trans-128.6150.3179.8-54.9176.6000110.3V183 F188 F215 F217 F218 I220 S248 I249 F251L158-V183 HydrophobicContact CD1-CG1 4.28Å; L158-V183 HydrophobicContact CD1-CG2 4.3Å; L158-F188 HydrophobicContact CD1-CD2 3.7Å; L158-F188 HydrophobicContact CD1-CE2 4.09Å; L158-F215 HydrophobicContact CB-CD1 4.5Å; L158-F217 CarbonylContact C-O 3.53Å; L158-F217 WeakPolarHBondContact CA-O 3.19Å; L158-F218 HydrophobicContact CD1-CE2 4.39Å; L158-F218 HydrophobicContact CD2-CB 4.32Å; L158-F218 HydrophobicContact CD2-CD1 4.22Å; L158-F218 HydrophobicContact CD2-CD2 3.26Å; L158-F218 HydrophobicContact CD2-CE1 4.35Å; L158-F218 HydrophobicContact CD2-CE2 3.42Å; L158-F218 VanDerWaalsContact CD2-CE2 3.42Å; L158-F218 HydrophobicContact CD2-CG 3.69Å; L158-F218 HydrophobicContact CD2-CZ 3.99Å; L158-I220 HydrophobicContact CD1-CD1 4.43Å; L158-I220 HydrophobicContact CD2-CD1 3.64Å; L158-I220 HydrophobicContact CD2-CG1 4.12Å; L158-I220 HydrophobicContact CG-CD1 4.15Å; L158-S248 CarbonylContact O-C 3.5Å; L158-S248 VanDerWaalsContact O-CA 3.3Å; L158-S248 WeakPolarHBondContact O-CA 3.42Å; L158-I249 HydrophobicContact CB-CB 4.27Å; L158-I249 PolarHBondContact N-O 3.09Å; L158-I249 PolarHBondContact O-N 2.81Å; L158-F251 HydrophobicContact CD1-CE1 3.91Å; L158-F251 HydrophobicContact CD1-CZ 4.24Å; L158-F251 HydrophobicContact CG-CE1 4.17Å
159M95.8Very high89.7Confident57 Ų5750.2 Ų50.228%0.28126%0.255SS..EExtended strand (participates in β ladder)trans-130.2117.2170.4-169.6179.9-63.900109.6D216 F217 P246 I247M159-D216 HydrophobicContact CB-CB 4.32Å; M159-D216 HydrophobicContact CG-CB 4.2Å; M159-D216 PolarHBondContact O-N 3.29Å; M159-D216 VanDerWaalsContact O-N 3.08Å; M159-D216 HydrophobicContact SD-CB 4.11Å; M159-F217 HydrophobicContact CB-CB 3.68Å; M159-F217 PolarHBondContact N-O 2.93Å; M159-P246 HydrophobicContact CG-CB 3.83Å; M159-P246 HydrophobicContact CG-CG 4.23Å; M159-P246 HydrophobicContact SD-CB 4.25Å; M159-P246 HydrophobicContact SD-CG 4Å; M159-I247 WeakPolarHBondContact CA-O 2.94Å
160I94.9Very high90.1Very high1 Ų153.4 Ų53.41%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-121.4137.4-174.5-169.2171.3000111.2L164 L165 F215 I247 I249I160-L164 HydrophobicContact CD1-CB 4.05Å; I160-L164 HydrophobicContact CG1-CB 4.05Å; I160-L164 HydrophobicContact CG1-CD1 4.36Å; I160-L165 HydrophobicContact CD1-CB 4.16Å; I160-F215 HydrophobicContact CB-CD1 3.85Å; I160-F215 HydrophobicContact CB-CE1 3.79Å; I160-F215 HydrophobicContact CD1-CD1 4.47Å; I160-F215 HydrophobicContact CD1-CE1 3.71Å; I160-F215 HydrophobicContact CD1-CZ 4.08Å; I160-F215 HydrophobicContact CG1-CD1 4.17Å; I160-F215 HydrophobicContact CG1-CE1 3.9Å; I160-I247 HydrophobicContact CG2-CB 4.18Å; I160-I247 PolarHBondContact N-O 2.84Å; I160-I247 PolarHBondContact O-N 2.85Å; I160-I249 HydrophobicContact CG2-CD1 3.98Å
161Q94.8Very high90.2Very high69 Ų6953.2 Ų53.232%0.32228%0.278SS..  trans-69.2138.5171.9-72.2-67.4-31.700110.8R163 L164 D216Q161-R163 PolarHBondContact O-N 3.4Å; Q161-L164 PolarHBondContact O-N 3.35Å; Q161-L164 VanDerWaalsContact O-N 3.16Å; Q161-D216 WeakPolarHBondContact CG-OD2 3.35Å; Q161-D216 PolarHBondContact NE2-OD2 2.75Å
162P93.9Very high90.3Very high6 Ų651.2 Ų51.24%0.03927%0.269CS..Hα-helixtrans-53.5-35.1-178.611.4-25.3000113.7L164 L165 A166 L237 S240 E241P162-L164 PolarHBondContact O-N 2.7Å; P162-L165 PolarHBondContact O-N 2.93Å; P162-A166 VanDerWaalsContact O-CB 3.31Å; P162-A166 WeakPolarHBondContact O-CB 3.47Å; P162-A166 PolarHBondContact O-N 3.36Å; P162-L237 HydrophobicContact CB-CD1 3.83Å; P162-L237 WeakPolarHBondContact O-CD1 3.46Å; P162-S240 VanDerWaalsContact CB-OG 3.23Å; P162-S240 WeakPolarHBondContact CB-OG 3.27Å; P162-S240 WeakPolarHBondContact CG-OG 3.33Å; P162-E241 HydrophobicContact CB-CG 4.24Å
163R92.4Very high90.3Very high193 Ų19346.5 Ų46.573%0.72825%0.245SC*.Hα-helixtrans-60.9-43.6-177.2-64.2-176.8-178.4175.52.3112.4Q161 A166 D167Q161-R163 PolarHBondContact O-N 3.4Å; R163-A166 WeakPolarHBondContact O-CB 3.23Å; R163-A166 PolarHBondContact O-N 3.34Å; R163-D167 PolarHBondContact O-N 2.85Å
164L91.2Very high89.9Confident39 Ų3947.2 Ų47.220%0.20426%0.255CS..Hα-helixtrans-65.2-43.1179.3-65.1176000111.2I160 Q161 P162 A166 D167 A168 E214I160-L164 HydrophobicContact CD1-CB 4.05Å; I160-L164 HydrophobicContact CG1-CB 4.05Å; I160-L164 HydrophobicContact CG1-CD1 4.36Å; Q161-L164 PolarHBondContact O-N 3.35Å; Q161-L164 VanDerWaalsContact O-N 3.16Å; P162-L164 PolarHBondContact O-N 2.7Å; L164-A166 VanDerWaalsContact C-N 3.34Å; L164-D167 PolarHBondContact O-N 3.34Å; L164-A168 PolarHBondContact O-N 3.38Å; L164-E214 HydrophobicContact CD1-CB 3.91Å; L164-E214 WeakPolarHBondContact CD1-O 3.35Å
165L90.8Very high89.5Confident3 Ų350.9 Ų50.92%0.01628%0.281CS..Hα-helixtrans-68.6-34.3176.7-170.262.8000111.8I160 P162 A168 I169 L190 L233 L237 I247I160-L165 HydrophobicContact CD1-CB 4.16Å; P162-L165 PolarHBondContact O-N 2.93Å; L165-A168 WeakPolarHBondContact O-CB 3.32Å; L165-A168 PolarHBondContact O-N 3.23Å; L165-I169 HydrophobicContact CG-CD1 4.37Å; L165-I169 HydrophobicContact CG-CG1 4.47Å; L165-I169 WeakPolarHBondContact O-CG1 3.43Å; L165-I169 PolarHBondContact O-N 3.35Å; L165-L190 HydrophobicContact CD1-CD2 4.32Å; L165-L233 HydrophobicContact CD2-CD1 4Å; L165-L233 HydrophobicContact CD2-CG 4.47Å; L165-L237 HydrophobicContact CB-CD1 4.19Å; L165-L237 HydrophobicContact CD2-CD1 4.28Å; L165-L237 HydrophobicContact CG-CD1 4.44Å; L165-I247 HydrophobicContact CD2-CD1 3.84Å
166A92.3Very high89.3Confident17 Ų1749.4 Ų49.414%0.1427%0.27CS..Hα-helixtrans-63-44.317500000111.9P162 R163 L164 A168 I169 V170 L237P162-A166 VanDerWaalsContact O-CB 3.31Å; P162-A166 WeakPolarHBondContact O-CB 3.47Å; P162-A166 PolarHBondContact O-N 3.36Å; R163-A166 WeakPolarHBondContact O-CB 3.23Å; R163-A166 PolarHBondContact O-N 3.34Å; L164-A166 VanDerWaalsContact C-N 3.34Å; A166-A168 PolarHBondContact O-N 3.08Å; A166-I169 PolarHBondContact O-N 3.19Å; A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 3.39Å; A166-L237 HydrophobicContact CB-CD2 3.96Å
167D89.6Confident89Confident108 Ų10854.9 Ų54.958%0.57830%0.296SS*.Hα-helixtrans-60-37.8175.1-69-20.7000111.3R163 L164R163-D167 PolarHBondContact O-N 2.85Å; L164-D167 PolarHBondContact O-N 3.34Å
168A86.8Confident88.8Confident2 Ų255.9 Ų55.92%0.01730%0.299CS..Hα-helixtrans-64.9-49.1173.700000112.5L164 L165 A166 V170 L171 F172 L190 M208L164-A168 PolarHBondContact O-N 3.38Å; L165-A168 WeakPolarHBondContact O-CB 3.32Å; L165-A168 PolarHBondContact O-N 3.23Å; A166-A168 PolarHBondContact O-N 3.08Å; A168-V170 PolarHBondContact O-N 2.77Å; A168-L171 WeakPolarHBondContact O-CB 3.48Å; A168-L171 PolarHBondContact O-N 3.04Å; A168-F172 WeakPolarHBondContact O-CD2 3.48Å; A168-F172 WeakPolarHBondContact O-CE2 3.39Å; A168-L190 HydrophobicContact CB-CD2 4.22Å; A168-M208 WeakPolarHBondContact CA-SD 3.21Å; A168-M208 HydrophobicContact CB-CB 4.44Å; A168-M208 HydrophobicContact CB-CE 4.01Å; A168-M208 HydrophobicContact CB-CG 4.26Å; A168-M208 HydrophobicContact CB-SD 3.3Å; A168-M208 WeakPolarHBondContact CB-SD 3.34Å
169I88.4Confident88.7Confident19 Ų1955.9 Ų55.910%0.09730%0.299CS..Hα-helixtrans-61.5-28.6-174.9-73.2-166.7000112.5L165 A166 L171 F172 F230 L233 K234 L237L165-I169 HydrophobicContact CG-CD1 4.37Å; L165-I169 HydrophobicContact CG-CG1 4.47Å; L165-I169 WeakPolarHBondContact O-CG1 3.43Å; L165-I169 PolarHBondContact O-N 3.35Å; A166-I169 PolarHBondContact O-N 3.19Å; I169-L171 PolarHBondContact O-N 2.83Å; I169-F172 PolarHBondContact O-N 2.96Å; I169-F230 HydrophobicContact CB-CZ 4.43Å; I169-F230 HydrophobicContact CD1-CE2 4.22Å; I169-F230 HydrophobicContact CG1-CE2 3.99Å; I169-F230 HydrophobicContact CG1-CZ 4.33Å; I169-F230 HydrophobicContact CG2-CE2 4.37Å; I169-F230 HydrophobicContact CG2-CZ 3.91Å; I169-L233 HydrophobicContact CD1-CD2 4.19Å; I169-L233 HydrophobicContact CD1-CG 4.08Å; I169-K234 HydrophobicContact CD1-CG 4.01Å; I169-K234 HydrophobicContact CG2-CD 4.41Å; I169-K234 HydrophobicContact CG2-CG 3.9Å; I169-L237 HydrophobicContact CB-CD2 4.35Å; I169-L237 HydrophobicContact CD1-CB 4.32Å; I169-L237 HydrophobicContact CD1-CD2 3.51Å; I169-L237 HydrophobicContact CG1-CD2 4.18Å
170V87.7Confident88.7Confident121 Ų12153.8 Ų53.873%0.73329%0.29SS*.THydrogen-bonded Turntrans-64-25.7177.2171.70000112.8A166 A168 F172A166-V170 WeakPolarHBondContact O-CG2 3.45Å; A166-V170 PolarHBondContact O-N 3.39Å; A168-V170 PolarHBondContact O-N 2.77Å; V170-F172 VanDerWaalsContact C-N 3.26Å; V170-F172 PolarHBondContact O-N 2.94Å
171L84.2Confident88.6Confident84 Ų8453.9 Ų53.944%0.4429%0.29SS..THydrogen-bonded Turntrans-71.8-23179.6-60.8170.8000112.6A168 I169 S206 M208A168-L171 WeakPolarHBondContact O-CB 3.48Å; A168-L171 PolarHBondContact O-N 3.04Å; I169-L171 PolarHBondContact O-N 2.83Å; L171-S206 PolarHBondContact O-OG 3.21Å; L171-S206 VanDerWaalsContact O-OG 3.11Å; L171-M208 HydrophobicContact CD1-CB 3.83Å; L171-M208 HydrophobicContact CD1-CG 4.4Å; L171-M208 HydrophobicContact CD1-SD 3.97Å
172F85.3Confident88.6Confident14 Ų1451.4 Ų51.46%0.06128%0.281CS..SBendtrans-90.2143.9-175.3-58.3-91.7000111.8A168 I169 V170 Q176 V179 L190 F230A168-F172 WeakPolarHBondContact O-CD2 3.48Å; A168-F172 WeakPolarHBondContact O-CE2 3.39Å; I169-F172 PolarHBondContact O-N 2.96Å; V170-F172 VanDerWaalsContact C-N 3.26Å; V170-F172 PolarHBondContact O-N 2.94Å; F172-Q176 HydrophobicContact CD1-CG 4.46Å; F172-V179 HydrophobicContact CD1-CG2 4.44Å; F172-V179 HydrophobicContact CE1-CG2 3.8Å; F172-V179 HydrophobicContact CZ-CG2 4.01Å; F172-L190 HydrophobicContact CE2-CD2 3.71Å; F172-L190 HydrophobicContact CE2-CG 4.15Å; F172-L190 HydrophobicContact CZ-CB 4.21Å; F172-L190 HydrophobicContact CZ-CD2 3.81Å; F172-L190 HydrophobicContact CZ-CG 3.7Å; F172-F230 HydrophobicContact CB-CE1 3.56Å; F172-F230 HydrophobicContact CB-CE2 4.36Å; F172-F230 HydrophobicContact CB-CZ 3.42Å; F172-F230 VanDerWaalsContact CB-CZ 3.42Å; F172-F230 HydrophobicContact CD2-CE2 4.16Å; F172-F230 AromaticContact CD2-CZ 3.87Å; F172-F230 HydrophobicContact CD2-CZ 3.87Å; F172-F230 HydrophobicContact CG-CE1 4.22Å; F172-F230 HydrophobicContact CG-CE2 4.2Å; F172-F230 AromaticContact CG-CZ 3.7Å; F172-F230 HydrophobicContact CG-CZ 3.7Å
173T81.1Confident88.6Confident51 Ų5151.2 Ų51.231%0.31328%0.28SS..  trans-66.1158.9177.163.40000111.8S175 Q176T173-S175 PolarHBondContact O-N 2.87Å; T173-S175 PolarHBondContact OG1-OG 3.15Å; T173-Q176 WeakPolarHBondContact O-CB 3.41Å; T173-Q176 PolarHBondContact O-N 2.66Å
174S76.6Confident88.6Confident118 Ų11844.3 Ų44.383%0.82526%0.259SS*.THydrogen-bonded Turntrans-69.5-22.3176.755.30000113.5Q176S174-Q176 VanDerWaalsContact C-N 3.33Å
175S80.4Confident88.6Confident91 Ų9145.8 Ų45.864%0.63627%0.271SS*.THydrogen-bonded Turntrans-82.6-9.5177.952.40000113.4T173 E177T173-S175 PolarHBondContact O-N 2.87Å; T173-S175 PolarHBondContact OG1-OG 3.15Å; S175-E177 PolarHBondContact O-N 3.23Å
176Q85Confident88.5Confident23 Ų2351.4 Ų51.411%0.10730%0.3CS..  trans-61.6121-179.1-165.668.714.400110.6F172 T173 S174 E178 S193 F230F172-Q176 HydrophobicContact CD1-CG 4.46Å; T173-Q176 WeakPolarHBondContact O-CB 3.41Å; T173-Q176 PolarHBondContact O-N 2.66Å; S174-Q176 VanDerWaalsContact C-N 3.33Å; Q176-E178 VanDerWaalsContact CG-O 3.31Å; Q176-E178 WeakPolarHBondContact CG-O 3.47Å; Q176-E178 PolarHBondContact NE2-O 3.27Å; Q176-S193 VanDerWaalsContact NE2-N 3.17Å; Q176-S193 PolarHBondContact NE2-O 2.93Å; Q176-F230 HydrophobicContact CB-CD1 3.74Å; Q176-F230 HydrophobicContact CB-CE1 4.01Å; Q176-F230 HydrophobicContact CG-CD1 4.03Å; Q176-F230 HydrophobicContact CG-CE1 4.43Å; Q176-F230 HydrophobicContact CG-CG 4.46Å; Q176-F230 WeakPolarHBondContact O-CD1 3.31Å
177E87.8Confident88.4Confident115 Ų11554.2 Ų54.254%0.53731%0.313SS..  trans-93.8-40.7180-58-133.9122.600111.7S175 F230 K231S175-E177 PolarHBondContact O-N 3.23Å; E177-F230 WeakPolarHBondContact O-CB 3.37Å; E177-F230 PolarHBondContact O-N 3.21Å; E177-K231 IonicContact OE1-NZ 2.66Å; E177-K231 PolarHBondContact OE1-NZ 3.41Å
178E91.3Very high88.6Confident43 Ų4349.2 Ų49.220%0.20129%0.286CS..EExtended strand (participates in β ladder)trans-122.9151.7-176.3-63.9-176164.200112.1Q176 T227 F228 L276 F376Q176-E178 VanDerWaalsContact CG-O 3.31Å; Q176-E178 WeakPolarHBondContact CG-O 3.47Å; Q176-E178 PolarHBondContact NE2-O 3.27Å; E178-T227 HydrophobicContact CB-CG2 3.98Å; E178-F228 CarbonylContact C-O 3.59Å; E178-F228 WeakPolarHBondContact CA-O 3.45Å; E178-L276 WeakPolarHBondContact OE2-CD1 3.23Å; E178-F376 WeakPolarHBondContact OE1-CZ 3.45Å
179V93.3Very high88.9Confident0 Ų049.4 Ų49.40%029%0.287CS..EExtended strand (participates in β ladder)trans-134.8144.3176.171.50000109.3F172 L190 K191 T227 F228 F230 L233F172-V179 HydrophobicContact CD1-CG2 4.44Å; F172-V179 HydrophobicContact CE1-CG2 3.8Å; F172-V179 HydrophobicContact CZ-CG2 4.01Å; V179-L190 HydrophobicContact CB-CD1 4.48Å; V179-L190 HydrophobicContact CG1-CD1 4.2Å; V179-L190 HydrophobicContact CG2-CD1 3.47Å; V179-L190 VanDerWaalsContact CG2-CD1 3.47Å; V179-L190 HydrophobicContact CG2-CD2 4.18Å; V179-L190 HydrophobicContact CG2-CG 3.56Å; V179-K191 WeakPolarHBondContact CG2-O 3.29Å; V179-T227 WeakPolarHBondContact O-CA 3.48Å; V179-F228 HydrophobicContact CG1-CD1 4.48Å; V179-F228 HydrophobicContact CG1-CD2 4.28Å; V179-F228 HydrophobicContact CG1-CE1 4.06Å; V179-F228 HydrophobicContact CG1-CE2 3.85Å; V179-F228 HydrophobicContact CG1-CZ 3.73Å; V179-F228 PolarHBondContact N-O 3.43Å; V179-F228 PolarHBondContact O-N 3.42Å; V179-F230 HydrophobicContact CB-CB 4.33Å; V179-F230 HydrophobicContact CB-CD2 4Å; V179-F230 HydrophobicContact CB-CG 4.47Å; V179-F230 HydrophobicContact CG1-CB 4.43Å; V179-F230 HydrophobicContact CG1-CD2 4.05Å; V179-F230 HydrophobicContact CG2-CD2 4.45Å; V179-L233 HydrophobicContact CG1-CD2 4.22Å
180T94.1Very high89.1Confident13 Ų1348.6 Ų48.68%0.0828%0.283CS..EExtended strand (participates in β ladder)trans-107123.6179-57.40000109.4K191 E225 I226 T227T180-K191 PolarHBondContact N-O 2.93Å; T180-K191 PolarHBondContact O-N 2.84Å; T180-E225 HydrophobicContact CG2-CG 3.29Å; T180-E225 WeakPolarHBondContact CG2-OE1 3.37Å; T180-I226 CarbonylContact C-O 3.55Å; T180-I226 WeakPolarHBondContact CA-O 3.38Å; T180-T227 PolarHBondContact OG1-OG1 3.37Å
181L94.3Very high89.3Confident3 Ų344.8 Ų44.82%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-101.6111.3174.5168.359.6000108.6V183 F188 C189 L190 E225 I226 F228 I249 F251L181-V183 HydrophobicContact CD1-CG2 3.45Å; L181-V183 VanDerWaalsContact CD1-CG2 3.45Å; L181-V183 HydrophobicContact CD2-CG2 4.27Å; L181-V183 HydrophobicContact CG-CG2 3.69Å; L181-F188 HydrophobicContact CD1-CD2 3.47Å; L181-F188 VanDerWaalsContact CD1-CD2 3.47Å; L181-F188 HydrophobicContact CD1-CE1 4.28Å; L181-F188 HydrophobicContact CD1-CE2 3.08Å; L181-F188 HydrophobicContact CD1-CG 4.24Å; L181-F188 HydrophobicContact CD1-CZ 3.53Å; L181-F188 HydrophobicContact CD2-CE2 4.26Å; L181-F188 HydrophobicContact CG-CE2 4.29Å; L181-C189 WeakPolarHBondContact CA-O 3.29Å; L181-L190 HydrophobicContact CB-CD1 4.29Å; L181-E225 CarbonylContact O-C 3.57Å; L181-E225 VanDerWaalsContact O-CA 3.29Å; L181-E225 WeakPolarHBondContact O-CA 3.3Å; L181-I226 HydrophobicContact CB-CG1 4.02Å; L181-I226 HydrophobicContact CD2-CD1 4.26Å; L181-I226 HydrophobicContact CD2-CG1 4.36Å; L181-I226 HydrophobicContact CG-CG1 4.38Å; L181-I226 PolarHBondContact N-O 2.87Å; L181-I226 PolarHBondContact O-N 2.78Å; L181-F228 HydrophobicContact CB-CE1 3.79Å; L181-F228 HydrophobicContact CD2-CE1 4.46Å; L181-I249 HydrophobicContact CD2-CG2 4.43Å; L181-F251 HydrophobicContact CD2-CE1 4.27Å; L181-F251 HydrophobicContact CD2-CZ 4.32Å
182A94.1Very high89.5Confident16 Ų1641 Ų4113%0.13224%0.237CC..EExtended strand (participates in β ladder)trans-108.4124.2174.900000109.8C189 T224 E225A182-C189 HydrophobicContact CB-CB 4.31Å; A182-C189 PolarHBondContact N-O 2.85Å; A182-C189 WeakPolarHBondContact O-CA 3.3Å; A182-C189 WeakPolarHBondContact O-CB 3.47Å; A182-C189 PolarHBondContact O-N 2.82Å; A182-T224 CarbonylContact C-O 3.54Å; A182-T224 WeakPolarHBondContact CA-O 3.35Å; A182-E225 HydrophobicContact CB-CB 4.2Å; A182-E225 HydrophobicContact CB-CG 3.95Å
183V94.4Very high89.2Confident3 Ų341.4 Ų41.42%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-131.4139.8-175.8-160.80000111.3L158 L181 F188 F218 I220 D223 T224 F251L158-V183 HydrophobicContact CD1-CG1 4.28Å; L158-V183 HydrophobicContact CD1-CG2 4.3Å; L181-V183 HydrophobicContact CD1-CG2 3.45Å; L181-V183 VanDerWaalsContact CD1-CG2 3.45Å; L181-V183 HydrophobicContact CD2-CG2 4.27Å; L181-V183 HydrophobicContact CG-CG2 3.69Å; V183-F188 HydrophobicContact CG2-CD2 4.12Å; V183-F218 HydrophobicContact CG1-CE2 4.25Å; V183-F218 HydrophobicContact CG1-CZ 3.65Å; V183-I220 HydrophobicContact CB-CD1 4.08Å; V183-I220 HydrophobicContact CG1-CD1 3.37Å; V183-I220 HydrophobicContact CG1-CG1 3.64Å; V183-D223 WeakPolarHBondContact O-CA 3.49Å; V183-T224 PolarHBondContact N-O 2.89Å; V183-T224 PolarHBondContact O-N 2.93Å; V183-F251 HydrophobicContact CB-CZ 4.12Å; V183-F251 HydrophobicContact CG2-CE2 4.23Å; V183-F251 HydrophobicContact CG2-CZ 3.67Å
184T92.3Very high88.5Confident48 Ų4842.3 Ų42.329%0.29425%0.245SC..  trans-129.1163.3172.760.50000108.1L186 N187 F218T184-L186 PolarHBondContact O-N 3.35Å; T184-N187 PolarHBondContact N-O 2.81Å; T184-N187 PolarHBondContact O-N 3.06Å; T184-N187 VanDerWaalsContact O-O 3.12Å; T184-N187 PolarHBondContact OG1-N 3.11Å; T184-N187 VanDerWaalsContact OG1-N 3.12Å; T184-N187 PolarHBondContact OG1-O 2.88Å; T184-F218 WeakPolarHBondContact O-CE1 3.22Å; T184-F218 WeakPolarHBondContact O-CZ 3.26Å
185P91.1Very high87.7Confident70 Ų7043.1 Ų43.146%0.45524%0.236SC..SBendtrans-53.8-16.2176.6-30.934000115.8I220 D223P185-I220 HydrophobicContact CG-CG2 4.33Å; P185-D223 WeakPolarHBondContact CD-OD1 3.47Å
186L89.4Confident86.3Confident120 Ų12046.3 Ų46.363%0.62824%0.241SC*.SBendtrans-110.8-27.8-178.3-61.6175.4000113.6T184 S212T184-L186 PolarHBondContact O-N 3.35Å; L186-S212 WeakPolarHBondContact O-CB 3.41Å; L186-S212 PolarHBondContact O-N 2.89Å; L186-S212 VanDerWaalsContact O-N 3.09Å; L186-S212 PolarHBondContact O-OG 3.35Å
187N89.5Confident84.5Confident76 Ų7648.2 Ų48.241%0.40626%0.256SS..EExtended strand (participates in β ladder)trans-139.2140.2-168.2-57.9-57.6000112T184T184-N187 PolarHBondContact N-O 2.81Å; T184-N187 PolarHBondContact O-N 3.06Å; T184-N187 VanDerWaalsContact O-O 3.12Å; T184-N187 PolarHBondContact OG1-N 3.11Å; T184-N187 VanDerWaalsContact OG1-N 3.12Å; T184-N187 PolarHBondContact OG1-O 2.88Å
188F93.2Very high82.8Confident4 Ų451.8 Ų51.82%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-103135.4164.2171.7-83.9000109.2L158 L181 V183 L190 F209 V210 F215 F218L158-F188 HydrophobicContact CD1-CD2 3.7Å; L158-F188 HydrophobicContact CD1-CE2 4.09Å; L181-F188 HydrophobicContact CD1-CD2 3.47Å; L181-F188 VanDerWaalsContact CD1-CD2 3.47Å; L181-F188 HydrophobicContact CD1-CE1 4.28Å; L181-F188 HydrophobicContact CD1-CE2 3.08Å; L181-F188 HydrophobicContact CD1-CG 4.24Å; L181-F188 HydrophobicContact CD1-CZ 3.53Å; L181-F188 HydrophobicContact CD2-CE2 4.26Å; L181-F188 HydrophobicContact CG-CE2 4.29Å; V183-F188 HydrophobicContact CG2-CD2 4.12Å; F188-L190 HydrophobicContact CE1-CB 4.05Å; F188-F209 WeakPolarHBondContact O-CA 3.38Å; F188-V210 HydrophobicContact CB-CB 4.37Å; F188-V210 HydrophobicContact CD1-CB 4.07Å; F188-V210 HydrophobicContact CD1-CG2 4.04Å; F188-V210 PolarHBondContact N-O 3.26Å; F188-V210 PolarHBondContact O-N 3.11Å; F188-F215 HydrophobicContact CB-CE1 4.41Å; F188-F215 HydrophobicContact CB-CE2 3.75Å; F188-F215 HydrophobicContact CB-CZ 3.41Å; F188-F215 VanDerWaalsContact CB-CZ 3.41Å; F188-F215 AromaticContact CD1-CZ 3.89Å; F188-F215 HydrophobicContact CD1-CZ 3.89Å; F188-F215 HydrophobicContact CD2-CE1 4.05Å; F188-F215 AromaticContact CD2-CZ 3.76Å; F188-F215 HydrophobicContact CD2-CZ 3.76Å; F188-F215 HydrophobicContact CE2-CE1 4.43Å; F188-F215 HydrophobicContact CE2-CZ 4.4Å; F188-F215 HydrophobicContact CG-CE1 4.21Å; F188-F215 HydrophobicContact CG-CE2 4.27Å; F188-F215 AromaticContact CG-CZ 3.45Å; F188-F215 HydrophobicContact CG-CZ 3.45Å; F188-F215 VanDerWaalsContact CG-CZ 3.45Å; F188-F218 HydrophobicContact CB-CE2 4.1Å
189C92.7Very high80.8Confident5 Ų556.3 Ų56.33%0.03430%0.301CS..EExtended strand (participates in β ladder)trans-134.6129.2177.1-1740000111.5L181 A182 E207 M208 F209L181-C189 WeakPolarHBondContact CA-O 3.29Å; A182-C189 HydrophobicContact CB-CB 4.31Å; A182-C189 PolarHBondContact N-O 2.85Å; A182-C189 WeakPolarHBondContact O-CA 3.3Å; A182-C189 WeakPolarHBondContact O-CB 3.47Å; A182-C189 PolarHBondContact O-N 2.82Å; C189-E207 VanDerWaalsContact SG-CD 3.59Å; C189-E207 WeakPolarHBondContact SG-CG 3.41Å; C189-E207 PolarHBondContact SG-OE1 3.34Å; C189-M208 CarbonylContact C-O 3.6Å; C189-M208 VanDerWaalsContact CA-O 3.27Å; C189-M208 WeakPolarHBondContact CA-O 3.41Å; C189-M208 PolarHBondContact SG-O 2.99Å; C189-F209 HydrophobicContact CB-CD1 3.79Å; C189-F209 HydrophobicContact CB-CE1 3.78Å; C189-F209 VanDerWaalsContact SG-CE1 3.55Å
190L93.3Very high79.1Confident2 Ų262.8 Ų62.81%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-112.9120.1174.3-164.669000109.5L165 A168 F172 V179 L181 F188 E207 M208 L233L165-L190 HydrophobicContact CD1-CD2 4.32Å; A168-L190 HydrophobicContact CB-CD2 4.22Å; F172-L190 HydrophobicContact CE2-CD2 3.71Å; F172-L190 HydrophobicContact CE2-CG 4.15Å; F172-L190 HydrophobicContact CZ-CB 4.21Å; F172-L190 HydrophobicContact CZ-CD2 3.81Å; F172-L190 HydrophobicContact CZ-CG 3.7Å; V179-L190 HydrophobicContact CB-CD1 4.48Å; V179-L190 HydrophobicContact CG1-CD1 4.2Å; V179-L190 HydrophobicContact CG2-CD1 3.47Å; V179-L190 VanDerWaalsContact CG2-CD1 3.47Å; V179-L190 HydrophobicContact CG2-CD2 4.18Å; V179-L190 HydrophobicContact CG2-CG 3.56Å; L181-L190 HydrophobicContact CB-CD1 4.29Å; F188-L190 HydrophobicContact CE1-CB 4.05Å; L190-E207 CarbonylContact O-C 3.47Å; L190-E207 WeakPolarHBondContact O-CA 3.46Å; L190-M208 PolarHBondContact N-O 3.3Å; L190-M208 PolarHBondContact O-N 2.97Å; L190-L233 HydrophobicContact CD2-CD2 4.42Å
191K91.6Very high77.2Confident41 Ų4166.8 Ų66.818%0.17836%0.363CS..EExtended strand (participates in β ladder)trans-122.5147-172.8-58.6170-174.4169.20111.6V179 T180 S193 Y205 S206 E207 E225V179-K191 WeakPolarHBondContact CG2-O 3.29Å; T180-K191 PolarHBondContact N-O 2.93Å; T180-K191 PolarHBondContact O-N 2.84Å; K191-S193 PolarHBondContact O-N 3.02Å; K191-Y205 WeakPolarHBondContact CD-OH 3.2Å; K191-Y205 WeakPolarHBondContact CG-OH 3.32Å; K191-S206 CarbonylContact C-O 3.52Å; K191-S206 WeakPolarHBondContact CA-O 3.37Å; K191-E207 WeakPolarHBondContact CE-OE1 3.47Å; K191-E207 HydrophobicContact CG-CB 4.32Å; K191-E207 HydrophobicContact CG-CG 3.69Å; K191-E207 WeakPolarHBondContact CG-OE1 3.13Å; K191-E225 IonicContact NZ-OE1 3.69Å; K191-E225 PolarHBondContact NZ-OE1 3.35Å
192S88.6Confident75.6Confident4 Ų473.8 Ų73.83%0.02840%0.401CS..EExtended strand (participates in β ladder)trans-72.2121.8171.2540000108.9N194 Y205 S206S192-N194 PolarHBondContact O-N 3.03Å; S192-Y205 WeakPolarHBondContact O-CE2 3.5Å; S192-Y205 WeakPolarHBondContact OG-CA 3.31Å; S192-Y205 VanDerWaalsContact OG-CD2 3.24Å; S192-Y205 WeakPolarHBondContact OG-CD2 3.34Å; S192-S206 PolarHBondContact N-O 3.34Å; S192-S206 PolarHBondContact OG-N 3.35Å; S192-S206 PolarHBondContact OG-O 2.84Å
193S78.6Confident74.2Confident24 Ų2475.9 Ų75.917%0.16842%0.418CS..  trans-68.2119.7168.3-177.60000108Q176 K191Q176-S193 VanDerWaalsContact NE2-N 3.17Å; Q176-S193 PolarHBondContact NE2-O 2.93Å; K191-S193 PolarHBondContact O-N 3.02Å
194N67.4Low73.2Confident70 Ų7080.4 Ų80.437%0.37445%0.446SS..  trans-95.1113.3174.7-141.642.9000107.4S192 E196 A203S192-N194 PolarHBondContact O-N 3.03Å; N194-E196 PolarHBondContact O-N 3.41Å; N194-A203 WeakPolarHBondContact OD1-CB 3.44Å
195E59.9Low72.8Confident134 Ų13483.8 Ų83.863%0.62645%0.454SS*.  trans-62.3129.2170.1-146.5174.8-168.200107.1S197E195-S197 PolarHBondContact O-N 3.4Å
196E51.5Low72.6Confident159 Ų15981.4 Ų81.474%0.74344%0.439SS*.  trans-68.658171.6-67.8173.6143.400109.6N194 R374N194-E196 PolarHBondContact O-N 3.41Å; E196-R374 IonicContact OE2-NH2 2.78Å; E196-R374 PolarHBondContact OE2-NH2 2.84Å
197S46.2Very low72.6Confident62 Ų6278.8 Ų78.843%0.43442%0.423SS..  trans-73.4136.5164.557.60000107.3E195 D199E195-S197 PolarHBondContact O-N 3.4Å; S197-D199 PolarHBondContact O-N 2.93Å
198M51.5Low72.6Confident190 Ų19076.8 Ų76.894%0.93641%0.412SS*.SBendtrans-65.3-1.3-177.5-66.1-163.2175.700113.6L200M198-L200 PolarHBondContact O-N 3.41Å
199D49.1Very low72.4Confident138 Ų13882.9 Ų82.974%0.73844%0.439SS*.  trans-95.258.1177.2-69.4-28.8000112S197 S201S197-D199 PolarHBondContact O-N 2.93Å; D199-S201 PolarHBondContact O-N 3.34Å
200L57.5Low72.4Confident136 Ų13682.8 Ų82.871%0.71244%0.438SS*.THydrogen-bonded Turntrans-71.228.2-178.9-87160.1000115.3M198M198-L200 PolarHBondContact O-N 3.41Å
201S56.2Low72.3Confident97 Ų9783.5 Ų83.568%0.67845%0.446SS*.THydrogen-bonded Turntrans-92.8-19.8-172.364.10000116.5D199D199-S201 PolarHBondContact O-N 3.34Å
202N58.8Low72.3Confident150 Ų15083.4 Ų83.480%0.80245%0.45SS*.SBendtrans-157.728.9-179.1-74.4-56.2000116.3V204N202-V204 PolarHBondContact O-N 3.25Å
203A64.8Low72.5Confident60 Ų6089.9 Ų89.950%0.49648%0.484SS..  trans-74.1120.9177.600000111.2N194 Y205N194-A203 WeakPolarHBondContact OD1-CB 3.44Å; A203-Y205 PolarHBondContact O-N 3.37Å
204V75.1Confident73.1Confident99 Ų9993.1 Ų93.160%0.650%0.497SS*.  trans-75.4107.1178.2178.10000109.2N202N202-V204 PolarHBondContact O-N 3.25Å
205Y83.4Confident74.3Confident119 Ų11990.6 Ų90.647%0.46748%0.483SS..  trans-80.9128.6171.6-180-95.6000110.5K191 S192 A203 E207K191-Y205 WeakPolarHBondContact CD-OH 3.2Å; K191-Y205 WeakPolarHBondContact CG-OH 3.32Å; S192-Y205 WeakPolarHBondContact O-CE2 3.5Å; S192-Y205 WeakPolarHBondContact OG-CA 3.31Å; S192-Y205 VanDerWaalsContact OG-CD2 3.24Å; S192-Y205 WeakPolarHBondContact OG-CD2 3.34Å; A203-Y205 PolarHBondContact O-N 3.37Å; Y205-E207 HydrophobicContact CE1-CB 3.84Å; Y205-E207 WeakPolarHBondContact CE1-OE2 3.48Å; Y205-E207 PolarHBondContact OH-OE2 2.88Å
206S85.9Confident75.9Confident19 Ų1988.5 Ų88.513%0.13348%0.476CS..  trans-127.6137-179.7-61.40000110.8L171 K191 S192L171-S206 PolarHBondContact O-OG 3.21Å; L171-S206 VanDerWaalsContact O-OG 3.11Å; K191-S206 CarbonylContact C-O 3.52Å; K191-S206 WeakPolarHBondContact CA-O 3.37Å; S192-S206 PolarHBondContact N-O 3.34Å; S192-S206 PolarHBondContact OG-N 3.35Å; S192-S206 PolarHBondContact OG-O 2.84Å
207E89.6Confident77.9Confident66 Ų6685.3 Ų85.331%0.30846%0.459SS..EExtended strand (participates in β ladder)trans-143.1135.2-178.4-178.8165.7-163.900110.1C189 L190 K191 Y205 F209C189-E207 VanDerWaalsContact SG-CD 3.59Å; C189-E207 WeakPolarHBondContact SG-CG 3.41Å; C189-E207 PolarHBondContact SG-OE1 3.34Å; L190-E207 CarbonylContact O-C 3.47Å; L190-E207 WeakPolarHBondContact O-CA 3.46Å; K191-E207 WeakPolarHBondContact CE-OE1 3.47Å; K191-E207 HydrophobicContact CG-CB 4.32Å; K191-E207 HydrophobicContact CG-CG 3.69Å; K191-E207 WeakPolarHBondContact CG-OE1 3.13Å; Y205-E207 HydrophobicContact CE1-CB 3.84Å; Y205-E207 WeakPolarHBondContact CE1-OE2 3.48Å; Y205-E207 PolarHBondContact OH-OE2 2.88Å; E207-F209 VanDerWaalsContact CD-CE2 3.48Å; E207-F209 VanDerWaalsContact CD-CZ 3.47Å; E207-F209 HydrophobicContact CG-CD2 4.17Å; E207-F209 HydrophobicContact CG-CE2 3.56Å; E207-F209 HydrophobicContact CG-CZ 3.97Å; E207-F209 WeakPolarHBondContact OE1-CE2 3.43Å; E207-F209 WeakPolarHBondContact OE1-CZ 3.39Å
208M89.8Confident80.2Confident33 Ų3384.4 Ų84.416%0.16345%0.448CS..EExtended strand (participates in β ladder)trans-125.9128.7176.4174.9156.2165.300110.8A168 L171 C189 L190 V210A168-M208 WeakPolarHBondContact CA-SD 3.21Å; A168-M208 HydrophobicContact CB-CB 4.44Å; A168-M208 HydrophobicContact CB-CE 4.01Å; A168-M208 HydrophobicContact CB-CG 4.26Å; A168-M208 HydrophobicContact CB-SD 3.3Å; A168-M208 WeakPolarHBondContact CB-SD 3.34Å; L171-M208 HydrophobicContact CD1-CB 3.83Å; L171-M208 HydrophobicContact CD1-CG 4.4Å; L171-M208 HydrophobicContact CD1-SD 3.97Å; C189-M208 CarbonylContact C-O 3.6Å; C189-M208 VanDerWaalsContact CA-O 3.27Å; C189-M208 WeakPolarHBondContact CA-O 3.41Å; C189-M208 PolarHBondContact SG-O 2.99Å; L190-M208 PolarHBondContact N-O 3.3Å; L190-M208 PolarHBondContact O-N 2.97Å; M208-V210 HydrophobicContact CE-CG2 3.53Å; M208-V210 HydrophobicContact CG-CG2 4.08Å
209F90Very high82.2Confident133 Ų13380.5 Ų80.558%0.58343%0.427SS*.EExtended strand (participates in β ladder)trans-104.4135.3173.3-67.1-88.8000110.2F188 C189 E207F188-F209 WeakPolarHBondContact O-CA 3.38Å; C189-F209 HydrophobicContact CB-CD1 3.79Å; C189-F209 HydrophobicContact CB-CE1 3.78Å; C189-F209 VanDerWaalsContact SG-CE1 3.55Å; E207-F209 VanDerWaalsContact CD-CE2 3.48Å; E207-F209 VanDerWaalsContact CD-CZ 3.47Å; E207-F209 HydrophobicContact CG-CD2 4.17Å; E207-F209 HydrophobicContact CG-CE2 3.56Å; E207-F209 HydrophobicContact CG-CZ 3.97Å; E207-F209 WeakPolarHBondContact OE1-CE2 3.43Å; E207-F209 WeakPolarHBondContact OE1-CZ 3.39Å
210V90.9Very high84.3Confident3 Ų375 Ų752%0.01840%0.397CS..EExtended strand (participates in β ladder)trans-128.7127.5175.2-171.70000107.7F188 M208 E214 F215F188-V210 HydrophobicContact CB-CB 4.37Å; F188-V210 HydrophobicContact CD1-CB 4.07Å; F188-V210 HydrophobicContact CD1-CG2 4.04Å; F188-V210 PolarHBondContact N-O 3.26Å; F188-V210 PolarHBondContact O-N 3.11Å; M208-V210 HydrophobicContact CE-CG2 3.53Å; M208-V210 HydrophobicContact CG-CG2 4.08Å; V210-E214 HydrophobicContact CG1-CB 3.76Å; V210-E214 HydrophobicContact CG1-CG 4.19Å; V210-E214 WeakPolarHBondContact CG1-OE2 3.47Å; V210-F215 HydrophobicContact CB-CE2 3.86Å; V210-F215 HydrophobicContact CB-CZ 4.1Å; V210-F215 HydrophobicContact CG1-CD2 4.26Å; V210-F215 HydrophobicContact CG1-CE2 3.43Å; V210-F215 VanDerWaalsContact CG1-CE2 3.43Å; V210-F215 HydrophobicContact CG1-CZ 3.92Å
211G91.8Very high85.9Confident17 Ų1771.4 Ų71.418%0.17539%0.393CS..EExtended strand (participates in β ladder)trans-68.4148.1175.300000110.9D213 E214 F215G211-D213 WeakPolarHBondContact CA-OD1 3.3Å; G211-D213 PolarHBondContact O-N 3.06Å; G211-D213 VanDerWaalsContact O-N 3.09Å; G211-E214 PolarHBondContact O-N 3.23Å; G211-E214 VanDerWaalsContact O-N 3.14Å; G211-F215 VanDerWaalsContact O-CD2 3.28Å; G211-F215 WeakPolarHBondContact O-CD2 3.3Å; G211-F215 WeakPolarHBondContact O-CE2 3.38Å
212S92.1Very high87.5Confident38 Ų3870.4 Ų70.427%0.26638%0.379SS..G310 helixtrans-56.4-22.7176.7500000114L186 E214 F215L186-S212 WeakPolarHBondContact O-CB 3.41Å; L186-S212 PolarHBondContact O-N 2.89Å; L186-S212 VanDerWaalsContact O-N 3.09Å; L186-S212 PolarHBondContact O-OG 3.35Å; S212-E214 VanDerWaalsContact C-N 3.3Å; S212-E214 PolarHBondContact O-N 3.35Å; S212-F215 PolarHBondContact O-N 2.87Å
213D92.2Very high89.2Confident140 Ų14068.5 Ų68.575%0.74937%0.369SS*.G310 helixtrans-72.4-16.1178.857.5-53.3000114.7G211 F215G211-D213 WeakPolarHBondContact CA-OD1 3.3Å; G211-D213 PolarHBondContact O-N 3.06Å; G211-D213 VanDerWaalsContact O-N 3.09Å; D213-F215 VanDerWaalsContact C-N 3.34Å
214E91.4Very high90.5Very high92 Ų9266.3 Ų66.343%0.4335%0.35SS..G310 helixtrans-86.2-6.4176.8-59.4-172-164.500113.2L164 V210 G211 S212L164-E214 HydrophobicContact CD1-CB 3.91Å; L164-E214 WeakPolarHBondContact CD1-O 3.35Å; V210-E214 HydrophobicContact CG1-CB 3.76Å; V210-E214 HydrophobicContact CG1-CG 4.19Å; V210-E214 WeakPolarHBondContact CG1-OE2 3.47Å; G211-E214 PolarHBondContact O-N 3.23Å; G211-E214 VanDerWaalsContact O-N 3.14Å; S212-E214 VanDerWaalsContact C-N 3.3Å; S212-E214 PolarHBondContact O-N 3.35Å
215F92.9Very high91.5Very high18 Ų1866.2 Ų66.28%0.07934%0.342CS..SBendtrans-94.3144.9-178.6-67-102.1000111.3L158 I160 F188 V210 G211 S212 D213 F217 F218L158-F215 HydrophobicContact CB-CD1 4.5Å; I160-F215 HydrophobicContact CB-CD1 3.85Å; I160-F215 HydrophobicContact CB-CE1 3.79Å; I160-F215 HydrophobicContact CD1-CD1 4.47Å; I160-F215 HydrophobicContact CD1-CE1 3.71Å; I160-F215 HydrophobicContact CD1-CZ 4.08Å; I160-F215 HydrophobicContact CG1-CD1 4.17Å; I160-F215 HydrophobicContact CG1-CE1 3.9Å; F188-F215 HydrophobicContact CB-CE1 4.41Å; F188-F215 HydrophobicContact CB-CE2 3.75Å; F188-F215 HydrophobicContact CB-CZ 3.41Å; F188-F215 VanDerWaalsContact CB-CZ 3.41Å; F188-F215 AromaticContact CD1-CZ 3.89Å; F188-F215 HydrophobicContact CD1-CZ 3.89Å; F188-F215 HydrophobicContact CD2-CE1 4.05Å; F188-F215 AromaticContact CD2-CZ 3.76Å; F188-F215 HydrophobicContact CD2-CZ 3.76Å; F188-F215 HydrophobicContact CE2-CE1 4.43Å; F188-F215 HydrophobicContact CE2-CZ 4.4Å; F188-F215 HydrophobicContact CG-CE1 4.21Å; F188-F215 HydrophobicContact CG-CE2 4.27Å; F188-F215 AromaticContact CG-CZ 3.45Å; F188-F215 HydrophobicContact CG-CZ 3.45Å; F188-F215 VanDerWaalsContact CG-CZ 3.45Å; V210-F215 HydrophobicContact CB-CE2 3.86Å; V210-F215 HydrophobicContact CB-CZ 4.1Å; V210-F215 HydrophobicContact CG1-CD2 4.26Å; V210-F215 HydrophobicContact CG1-CE2 3.43Å; V210-F215 VanDerWaalsContact CG1-CE2 3.43Å; V210-F215 HydrophobicContact CG1-CZ 3.92Å; G211-F215 VanDerWaalsContact O-CD2 3.28Å; G211-F215 WeakPolarHBondContact O-CD2 3.3Å; G211-F215 WeakPolarHBondContact O-CE2 3.38Å; S212-F215 PolarHBondContact O-N 2.87Å; D213-F215 VanDerWaalsContact C-N 3.34Å; F215-F217 VanDerWaalsContact C-N 3.26Å; F215-F217 PolarHBondContact O-N 3.45Å; F215-F218 HydrophobicContact CB-CB 4.13Å; F215-F218 HydrophobicContact CB-CD2 4.04Å; F215-F218 HydrophobicContact CD1-CD2 4.07Å; F215-F218 AromaticContact CD2-CD2 3.6Å; F215-F218 HydrophobicContact CD2-CD2 3.6Å; F215-F218 AromaticContact CD2-CE2 4Å; F215-F218 HydrophobicContact CD2-CE2 4Å; F215-F218 HydrophobicContact CE1-CD2 4.47Å; F215-F218 HydrophobicContact CE2-CD2 4.04Å; F215-F218 AromaticContact CE2-CE2 3.96Å; F215-F218 HydrophobicContact CE2-CE2 3.96Å; F215-F218 AromaticContact CG-CD2 3.64Å; F215-F218 HydrophobicContact CG-CD2 3.64Å; F215-F218 HydrophobicContact CG-CE2 4.34Å; F215-F218 HydrophobicContact CZ-CD2 4.48Å; F215-F218 HydrophobicContact CZ-CE2 4.29Å
216D92.7Very high92Very high90 Ų9060.5 Ų60.548%0.48132%0.32SS..SBendtrans-69.9-31.4174.1-60.6-43.5000111.1M159 Q161M159-D216 HydrophobicContact CB-CB 4.32Å; M159-D216 HydrophobicContact CG-CB 4.2Å; M159-D216 PolarHBondContact O-N 3.29Å; M159-D216 VanDerWaalsContact O-N 3.08Å; M159-D216 HydrophobicContact SD-CB 4.11Å; Q161-D216 WeakPolarHBondContact CG-OD2 3.35Å; Q161-D216 PolarHBondContact NE2-OD2 2.75Å
217F93.6Very high92.5Very high91 Ų9160.7 Ų60.740%0.39932%0.32SS..EExtended strand (participates in β ladder)trans-146.9132.9175.1-174.2-98.4000109.8T157 L158 M159 F215 Q219T157-F217 HydrophobicContact CG2-CD1 3.95Å; T157-F217 HydrophobicContact CG2-CE1 3.74Å; L158-F217 CarbonylContact C-O 3.53Å; L158-F217 WeakPolarHBondContact CA-O 3.19Å; M159-F217 HydrophobicContact CB-CB 3.68Å; M159-F217 PolarHBondContact N-O 2.93Å; F215-F217 VanDerWaalsContact C-N 3.26Å; F215-F217 PolarHBondContact O-N 3.45Å; F217-Q219 HydrophobicContact CE1-CB 3.62Å; F217-Q219 HydrophobicContact CZ-CB 3.83Å
218F94.3Very high92.7Very high43 Ų4357.8 Ų57.819%0.18931%0.307CS..EExtended strand (participates in β ladder)trans-142.7101.3-177.4-163-84.6000110.5L158 V183 T184 F188 F215 I220L158-F218 HydrophobicContact CD1-CE2 4.39Å; L158-F218 HydrophobicContact CD2-CB 4.32Å; L158-F218 HydrophobicContact CD2-CD1 4.22Å; L158-F218 HydrophobicContact CD2-CD2 3.26Å; L158-F218 HydrophobicContact CD2-CE1 4.35Å; L158-F218 HydrophobicContact CD2-CE2 3.42Å; L158-F218 VanDerWaalsContact CD2-CE2 3.42Å; L158-F218 HydrophobicContact CD2-CG 3.69Å; L158-F218 HydrophobicContact CD2-CZ 3.99Å; V183-F218 HydrophobicContact CG1-CE2 4.25Å; V183-F218 HydrophobicContact CG1-CZ 3.65Å; T184-F218 WeakPolarHBondContact O-CE1 3.22Å; T184-F218 WeakPolarHBondContact O-CZ 3.26Å; F188-F218 HydrophobicContact CB-CE2 4.1Å; F215-F218 HydrophobicContact CB-CB 4.13Å; F215-F218 HydrophobicContact CB-CD2 4.04Å; F215-F218 HydrophobicContact CD1-CD2 4.07Å; F215-F218 AromaticContact CD2-CD2 3.6Å; F215-F218 HydrophobicContact CD2-CD2 3.6Å; F215-F218 AromaticContact CD2-CE2 4Å; F215-F218 HydrophobicContact CD2-CE2 4Å; F215-F218 HydrophobicContact CE1-CD2 4.47Å; F215-F218 HydrophobicContact CE2-CD2 4.04Å; F215-F218 AromaticContact CE2-CE2 3.96Å; F215-F218 HydrophobicContact CE2-CE2 3.96Å; F215-F218 AromaticContact CG-CD2 3.64Å; F215-F218 HydrophobicContact CG-CD2 3.64Å; F215-F218 HydrophobicContact CG-CE2 4.34Å; F215-F218 HydrophobicContact CZ-CD2 4.48Å; F215-F218 HydrophobicContact CZ-CE2 4.29Å; F218-I220 HydrophobicContact CD1-CG1 4.07Å; F218-I220 HydrophobicContact CE1-CB 4.44Å; F218-I220 HydrophobicContact CE1-CG1 3.46Å; F218-I220 VanDerWaalsContact CE1-CG1 3.46Å; F218-I220 HydrophobicContact CZ-CG1 3.83Å
219Q93.4Very high92.9Very high108 Ų10857.6 Ų57.651%0.50531%0.309SS..EExtended strand (participates in β ladder)trans-128.9115.8176.8-175.8178.7-0.200110.1T157 F217T157-Q219 PolarHBondContact N-O 3.05Å; T157-Q219 PolarHBondContact O-N 2.9Å; T157-Q219 VanDerWaalsContact O-O 3.06Å; F217-Q219 HydrophobicContact CE1-CB 3.62Å; F217-Q219 HydrophobicContact CZ-CB 3.83Å
220I94.2Very high93Very high22 Ų2251.3 Ų51.311%0.11328%0.281CS..EExtended strand (participates in β ladder)trans-121.5111.5179.4-59.9-63.2000108.4N156 L158 V183 P185 F218 M222 F251N156-I220 HydrophobicContact CB-CD1 3.85Å; N156-I220 WeakPolarHBondContact OD1-CA 3.41Å; L158-I220 HydrophobicContact CD1-CD1 4.43Å; L158-I220 HydrophobicContact CD2-CD1 3.64Å; L158-I220 HydrophobicContact CD2-CG1 4.12Å; L158-I220 HydrophobicContact CG-CD1 4.15Å; V183-I220 HydrophobicContact CB-CD1 4.08Å; V183-I220 HydrophobicContact CG1-CD1 3.37Å; V183-I220 HydrophobicContact CG1-CG1 3.64Å; P185-I220 HydrophobicContact CG-CG2 4.33Å; F218-I220 HydrophobicContact CD1-CG1 4.07Å; F218-I220 HydrophobicContact CE1-CB 4.44Å; F218-I220 HydrophobicContact CE1-CG1 3.46Å; F218-I220 VanDerWaalsContact CE1-CG1 3.46Å; F218-I220 HydrophobicContact CZ-CG1 3.83Å; I220-M222 WeakPolarHBondContact CG2-O 3.44Å; I220-F251 HydrophobicContact CD1-CZ 4.14Å
221G90.3Very high93Very high61 Ų6155.8 Ų55.863%0.62930%0.3SS*.SBendtrans-80.5-29.417500000112.5T155 N156T155-G221 PolarHBondContact O-N 3.19Å; N156-G221 PolarHBondContact OD1-N 2.64Å
222M90.4Very high93.1Very high76 Ų7655.7 Ų55.737%0.37430%0.295SS..SBendtrans-147.3138.3179.154173.961.300112.5T155 N156 I220 T224T155-M222 HydrophobicContact CG2-CE 4.27Å; N156-M222 PolarHBondContact ND2-O 3.41Å; N156-M222 VanDerWaalsContact ND2-O 3.11Å; N156-M222 PolarHBondContact OD1-N 3.44Å; N156-M222 VanDerWaalsContact OD1-N 3.13Å; N156-M222 PolarHBondContact OD1-O 2.77Å; I220-M222 WeakPolarHBondContact CG2-O 3.44Å; M222-T224 PolarHBondContact O-N 3.09Å; M222-T224 PolarHBondContact O-OG1 3.35Å; M222-T224 VanDerWaalsContact O-OG1 3.11Å
223D93.6Very high93.2Very high111 Ų11154 Ų5459%0.59428%0.283SS*.  trans-58.3126.8170.1-6915.3000108.9V183 P185V183-D223 WeakPolarHBondContact O-CA 3.49Å; P185-D223 WeakPolarHBondContact CD-OD1 3.47Å
224T93.8Very high93.3Very high14 Ų1450 Ų509%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-151.3139.9-167.7-70.60000111.1N156 A182 V183 M222 I226 F251 D252N156-T224 PolarHBondContact ND2-OG1 3.36Å; A182-T224 CarbonylContact C-O 3.54Å; A182-T224 WeakPolarHBondContact CA-O 3.35Å; V183-T224 PolarHBondContact N-O 2.89Å; V183-T224 PolarHBondContact O-N 2.93Å; M222-T224 PolarHBondContact O-N 3.09Å; M222-T224 PolarHBondContact O-OG1 3.35Å; M222-T224 VanDerWaalsContact O-OG1 3.11Å; T224-I226 HydrophobicContact CG2-CG2 3.74Å; T224-F251 HydrophobicContact CG2-CD2 4.01Å; T224-F251 HydrophobicContact CG2-CE2 3.97Å; T224-D252 VanDerWaalsContact CG2-O 3.23Å; T224-D252 WeakPolarHBondContact CG2-O 3.04Å
225E94.4Very high93.4Very high96 Ų9645.7 Ų45.745%0.44924%0.239SC..EExtended strand (participates in β ladder)trans-127.3106.6175.4-176.9162.1-14200110.1T180 L181 A182 K191 P254T180-E225 HydrophobicContact CG2-CG 3.29Å; T180-E225 WeakPolarHBondContact CG2-OE1 3.37Å; L181-E225 CarbonylContact O-C 3.57Å; L181-E225 VanDerWaalsContact O-CA 3.29Å; L181-E225 WeakPolarHBondContact O-CA 3.3Å; A182-E225 HydrophobicContact CB-CB 4.2Å; A182-E225 HydrophobicContact CB-CG 3.95Å; K191-E225 IonicContact NZ-OE1 3.69Å; K191-E225 PolarHBondContact NZ-OE1 3.35Å; E225-P254 WeakPolarHBondContact O-CG 3.43Å
226I94.9Very high93.5Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-112.8141.6-17957.2172.5000111.6T180 L181 T224 F228 F251 P254 L258 T275T180-I226 CarbonylContact C-O 3.55Å; T180-I226 WeakPolarHBondContact CA-O 3.38Å; L181-I226 HydrophobicContact CB-CG1 4.02Å; L181-I226 HydrophobicContact CD2-CD1 4.26Å; L181-I226 HydrophobicContact CD2-CG1 4.36Å; L181-I226 HydrophobicContact CG-CG1 4.38Å; L181-I226 PolarHBondContact N-O 2.87Å; L181-I226 PolarHBondContact O-N 2.78Å; T224-I226 HydrophobicContact CG2-CG2 3.74Å; I226-F228 HydrophobicContact CD1-CD1 4.46Å; I226-F228 HydrophobicContact CG1-CD1 4.4Å; I226-F251 HydrophobicContact CD1-CB 3.78Å; I226-F251 HydrophobicContact CD1-CD2 3.73Å; I226-F251 HydrophobicContact CD1-CG 3.82Å; I226-F251 HydrophobicContact CG1-CD2 4.36Å; I226-P254 HydrophobicContact CG2-CG 4.17Å; I226-L258 HydrophobicContact CD1-CB 4.3Å; I226-L258 HydrophobicContact CD1-CD1 3.97Å; I226-L258 HydrophobicContact CD1-CD2 4.33Å; I226-L258 HydrophobicContact CD1-CG 4.44Å; I226-T275 HydrophobicContact CB-CG2 4Å; I226-T275 HydrophobicContact CD1-CG2 3.99Å; I226-T275 HydrophobicContact CG1-CG2 4.49Å; I226-T275 HydrophobicContact CG2-CG2 4.34Å
227T95.2Very high93.6Very high23 Ų2340.9 Ų40.914%0.14121%0.214CC..EExtended strand (participates in β ladder)trans-113.2132.3175.5-56.80000110.4E178 V179 T180 T275 L276E178-T227 HydrophobicContact CB-CG2 3.98Å; V179-T227 WeakPolarHBondContact O-CA 3.48Å; T180-T227 PolarHBondContact OG1-OG1 3.37Å; T227-T275 CarbonylContact O-C 3.59Å; T227-T275 VanDerWaalsContact O-CA 3.27Å; T227-T275 WeakPolarHBondContact O-CA 3.37Å; T227-L276 HydrophobicContact CG2-CD1 3.75Å; T227-L276 HydrophobicContact CG2-CG 4.38Å; T227-L276 PolarHBondContact O-N 2.88Å
228F94.8Very high93.6Very high4 Ų438.3 Ų38.32%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-150.8174.2-176.662.6-84.3000112.3E178 V179 L181 I226 F230 L233 L258 L273 T275E178-F228 CarbonylContact C-O 3.59Å; E178-F228 WeakPolarHBondContact CA-O 3.45Å; V179-F228 HydrophobicContact CG1-CD1 4.48Å; V179-F228 HydrophobicContact CG1-CD2 4.28Å; V179-F228 HydrophobicContact CG1-CE1 4.06Å; V179-F228 HydrophobicContact CG1-CE2 3.85Å; V179-F228 HydrophobicContact CG1-CZ 3.73Å; V179-F228 PolarHBondContact N-O 3.43Å; V179-F228 PolarHBondContact O-N 3.42Å; L181-F228 HydrophobicContact CB-CE1 3.79Å; L181-F228 HydrophobicContact CD2-CE1 4.46Å; I226-F228 HydrophobicContact CD1-CD1 4.46Å; I226-F228 HydrophobicContact CG1-CD1 4.4Å; F228-F230 PolarHBondContact O-N 2.86Å; F228-L233 HydrophobicContact CE2-CB 4.07Å; F228-L233 HydrophobicContact CE2-CD1 4.22Å; F228-L233 HydrophobicContact CE2-CD2 4.16Å; F228-L233 HydrophobicContact CE2-CG 4.37Å; F228-L233 HydrophobicContact CZ-CD1 4.49Å; F228-L233 HydrophobicContact CZ-CD2 4.23Å; F228-L258 HydrophobicContact CB-CD2 4.34Å; F228-L258 HydrophobicContact CD1-CD2 3.55Å; F228-L258 HydrophobicContact CD2-CD2 3.58Å; F228-L258 HydrophobicContact CE1-CD2 3.58Å; F228-L258 HydrophobicContact CE2-CD2 3.59Å; F228-L258 HydrophobicContact CG-CD2 3.55Å; F228-L258 HydrophobicContact CZ-CD2 3.6Å; F228-L273 HydrophobicContact CD2-CD1 3.99Å; F228-L273 HydrophobicContact CE2-CD1 4.48Å; F228-T275 HydrophobicContact CB-CG2 4.43Å
229C93.2Very high93.6Very high30 Ų3036.3 Ų36.320%0.20320%0.197CC..EExtended strand (participates in β ladder)trans-70124.1-174-179.60000113E232C229-E232 HydrophobicContact CB-CB 4.44Å; C229-E232 VanDerWaalsContact CB-CD 3.48Å; C229-E232 HydrophobicContact CB-CG 4.08Å; C229-E232 VanDerWaalsContact CB-OE2 3.32Å; C229-E232 WeakPolarHBondContact CB-OE2 3.19Å; C229-E232 VanDerWaalsContact SG-CD 3.6Å
230F92.4Very high93.7Very high1 Ų131.1 Ų31.10%0.00417%0.173CC..Hα-helixtrans-74.3-32.1-177.6-174.4-132.7000113.4I169 F172 Q176 E177 V179 F228 E232 L233 K234I169-F230 HydrophobicContact CB-CZ 4.43Å; I169-F230 HydrophobicContact CD1-CE2 4.22Å; I169-F230 HydrophobicContact CG1-CE2 3.99Å; I169-F230 HydrophobicContact CG1-CZ 4.33Å; I169-F230 HydrophobicContact CG2-CE2 4.37Å; I169-F230 HydrophobicContact CG2-CZ 3.91Å; F172-F230 HydrophobicContact CB-CE1 3.56Å; F172-F230 HydrophobicContact CB-CE2 4.36Å; F172-F230 HydrophobicContact CB-CZ 3.42Å; F172-F230 VanDerWaalsContact CB-CZ 3.42Å; F172-F230 HydrophobicContact CD2-CE2 4.16Å; F172-F230 AromaticContact CD2-CZ 3.87Å; F172-F230 HydrophobicContact CD2-CZ 3.87Å; F172-F230 HydrophobicContact CG-CE1 4.22Å; F172-F230 HydrophobicContact CG-CE2 4.2Å; F172-F230 AromaticContact CG-CZ 3.7Å; F172-F230 HydrophobicContact CG-CZ 3.7Å; Q176-F230 HydrophobicContact CB-CD1 3.74Å; Q176-F230 HydrophobicContact CB-CE1 4.01Å; Q176-F230 HydrophobicContact CG-CD1 4.03Å; Q176-F230 HydrophobicContact CG-CE1 4.43Å; Q176-F230 HydrophobicContact CG-CG 4.46Å; Q176-F230 WeakPolarHBondContact O-CD1 3.31Å; E177-F230 WeakPolarHBondContact O-CB 3.37Å; E177-F230 PolarHBondContact O-N 3.21Å; V179-F230 HydrophobicContact CB-CB 4.33Å; V179-F230 HydrophobicContact CB-CD2 4Å; V179-F230 HydrophobicContact CB-CG 4.47Å; V179-F230 HydrophobicContact CG1-CB 4.43Å; V179-F230 HydrophobicContact CG1-CD2 4.05Å; V179-F230 HydrophobicContact CG2-CD2 4.45Å; F228-F230 PolarHBondContact O-N 2.86Å; F230-E232 PolarHBondContact O-N 3.21Å; F230-L233 HydrophobicContact CD2-CD2 4.23Å; F230-L233 HydrophobicContact CE2-CD2 4.38Å; F230-L233 PolarHBondContact O-N 3.27Å; F230-K234 HydrophobicContact CD1-CD 4.15Å; F230-K234 HydrophobicContact CE1-CD 3.95Å; F230-K234 HydrophobicContact CE2-CG 4.42Å; F230-K234 HydrophobicContact CZ-CD 4.2Å; F230-K234 HydrophobicContact CZ-CG 4.32Å; F230-K234 PolarHBondContact O-N 2.95Å; F230-K234 VanDerWaalsContact O-N 3.09Å
231K92.1Very high93.6Very high96 Ų9634.3 Ų34.342%0.41719%0.188SC..Hα-helixtrans-62-34.9179.5-67.6172-173.41570111.4E177 G235E177-K231 IonicContact OE1-NZ 2.66Å; E177-K231 PolarHBondContact OE1-NZ 3.41Å; K231-G235 PolarHBondContact O-N 2.9Å; K231-G235 VanDerWaalsContact O-N 3.1Å
232E93.3Very high93.7Very high15 Ų1532.6 Ų32.67%0.0717%0.167CC..Hα-helixtrans-74.6-40.7-178.8-63.5165.4-17800111.3I27 A51 C229 F230 K234 G235 I236 L273I27-E232 HydrophobicContact CG1-CB 4.48Å; I27-E232 HydrophobicContact CG1-CG 4Å; A51-E232 VanDerWaalsContact CB-CD 3.46Å; A51-E232 WeakPolarHBondContact CB-OE1 3.35Å; C229-E232 HydrophobicContact CB-CB 4.44Å; C229-E232 VanDerWaalsContact CB-CD 3.48Å; C229-E232 HydrophobicContact CB-CG 4.08Å; C229-E232 VanDerWaalsContact CB-OE2 3.32Å; C229-E232 WeakPolarHBondContact CB-OE2 3.19Å; C229-E232 VanDerWaalsContact SG-CD 3.6Å; F230-E232 PolarHBondContact O-N 3.21Å; E232-K234 PolarHBondContact O-N 3.09Å; E232-G235 WeakPolarHBondContact O-CA 3.49Å; E232-G235 PolarHBondContact O-N 3.23Å; E232-I236 PolarHBondContact O-N 2.98Å; E232-I236 VanDerWaalsContact O-N 3.08Å; E232-L273 HydrophobicContact CB-CD1 3.79Å; E232-L273 HydrophobicContact CB-CD2 3.96Å; E232-L273 HydrophobicContact CG-CD2 4.38Å; E232-L273 VanDerWaalsContact OE2-CD2 3.24Å; E232-L273 WeakPolarHBondContact OE2-CD2 3.41Å
233L94.3Very high93.8Very high3 Ų330 Ų302%0.01616%0.156CC..Hα-helixtrans-57.6-46.9171.5-172.862.7000112L165 I169 V179 L190 F228 F230 G235 I236 L237 L260L165-L233 HydrophobicContact CD2-CD1 4Å; L165-L233 HydrophobicContact CD2-CG 4.47Å; I169-L233 HydrophobicContact CD1-CD2 4.19Å; I169-L233 HydrophobicContact CD1-CG 4.08Å; V179-L233 HydrophobicContact CG1-CD2 4.22Å; L190-L233 HydrophobicContact CD2-CD2 4.42Å; F228-L233 HydrophobicContact CE2-CB 4.07Å; F228-L233 HydrophobicContact CE2-CD1 4.22Å; F228-L233 HydrophobicContact CE2-CD2 4.16Å; F228-L233 HydrophobicContact CE2-CG 4.37Å; F228-L233 HydrophobicContact CZ-CD1 4.49Å; F228-L233 HydrophobicContact CZ-CD2 4.23Å; F230-L233 HydrophobicContact CD2-CD2 4.23Å; F230-L233 HydrophobicContact CE2-CD2 4.38Å; F230-L233 PolarHBondContact O-N 3.27Å; L233-G235 PolarHBondContact O-N 2.79Å; L233-I236 VanDerWaalsContact O-CG2 3.27Å; L233-I236 WeakPolarHBondContact O-CG2 3.34Å; L233-I236 PolarHBondContact O-N 3.47Å; L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 PolarHBondContact O-N 2.8Å; L233-L260 HydrophobicContact CD1-CD1 3.82Å
234K93.3Very high93.7Very high56 Ų5631.5 Ų31.524%0.24316%0.159CC..Hα-helixtrans-58.6-37.6173.9-78.6175.8164.4165.90112I169 F230 E232 T238I169-K234 HydrophobicContact CD1-CG 4.01Å; I169-K234 HydrophobicContact CG2-CD 4.41Å; I169-K234 HydrophobicContact CG2-CG 3.9Å; F230-K234 HydrophobicContact CD1-CD 4.15Å; F230-K234 HydrophobicContact CE1-CD 3.95Å; F230-K234 HydrophobicContact CE2-CG 4.42Å; F230-K234 HydrophobicContact CZ-CD 4.2Å; F230-K234 HydrophobicContact CZ-CG 4.32Å; F230-K234 PolarHBondContact O-N 2.95Å; F230-K234 VanDerWaalsContact O-N 3.09Å; E232-K234 PolarHBondContact O-N 3.09Å; K234-T238 WeakPolarHBondContact O-CB 3.44Å; K234-T238 PolarHBondContact O-N 2.84Å; K234-T238 PolarHBondContact O-OG1 3.42Å
235G93.6Very high93.8Very high1 Ų131.2 Ų31.21%0.0116%0.158CC..Hα-helixtrans-58.7-5717700000111.7A23 K231 E232 L233 L237 T238 F239A23-G235 WeakPolarHBondContact CB-O 3.41Å; K231-G235 PolarHBondContact O-N 2.9Å; K231-G235 VanDerWaalsContact O-N 3.1Å; E232-G235 WeakPolarHBondContact O-CA 3.49Å; E232-G235 PolarHBondContact O-N 3.23Å; L233-G235 PolarHBondContact O-N 2.79Å; G235-L237 PolarHBondContact O-N 2.86Å; G235-T238 WeakPolarHBondContact O-CB 3.4Å; G235-T238 PolarHBondContact O-N 2.97Å; G235-F239 PolarHBondContact O-N 2.87Å
236I95.3Very high93.8Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-65.9-37.4-179.8-168.1171.8000112.3E232 L233 T238 F239 S240 I247 L260 I262 F271E232-I236 PolarHBondContact O-N 2.98Å; E232-I236 VanDerWaalsContact O-N 3.08Å; L233-I236 VanDerWaalsContact O-CG2 3.27Å; L233-I236 WeakPolarHBondContact O-CG2 3.34Å; L233-I236 PolarHBondContact O-N 3.47Å; I236-T238 VanDerWaalsContact C-N 3.33Å; I236-T238 PolarHBondContact O-N 3.48Å; I236-F239 WeakPolarHBondContact O-CB 3.24Å; I236-F239 PolarHBondContact O-N 2.87Å; I236-S240 PolarHBondContact O-N 2.99Å; I236-I247 HydrophobicContact CD1-CG2 4.36Å; I236-L260 HydrophobicContact CD1-CB 3.5Å; I236-L260 VanDerWaalsContact CD1-CB 3.5Å; I236-L260 HydrophobicContact CG2-CB 4.34Å; I236-L260 HydrophobicContact CG2-CD1 3.72Å; I236-I262 HydrophobicContact CD1-CD1 4.02Å; I236-I262 HydrophobicContact CD1-CG1 4.18Å; I236-I262 HydrophobicContact CG1-CD1 3.54Å; I236-I262 HydrophobicContact CG1-CG1 4.22Å; I236-F271 HydrophobicContact CB-CD1 4Å; I236-F271 HydrophobicContact CB-CD2 4.43Å; I236-F271 HydrophobicContact CB-CE1 4.16Å; I236-F271 HydrophobicContact CB-CG 4.19Å; I236-F271 HydrophobicContact CB-CZ 4.48Å; I236-F271 HydrophobicContact CD1-CB 4.2Å; I236-F271 HydrophobicContact CD1-CD2 3.97Å; I236-F271 HydrophobicContact CD1-CG 4.07Å; I236-F271 HydrophobicContact CG1-CD2 4.24Å; I236-F271 HydrophobicContact CG1-CE2 4.47Å; I236-F271 HydrophobicContact CG1-CG 4.4Å
237L95.1Very high93.9Very high8 Ų828.3 Ų28.34%0.04215%0.147CC..Hα-helixtrans-58.7-45.9175.917764.4000111.5P162 L165 A166 I169 L233 G235 F239 S240 E241 I247P162-L237 HydrophobicContact CB-CD1 3.83Å; P162-L237 WeakPolarHBondContact O-CD1 3.46Å; L165-L237 HydrophobicContact CB-CD1 4.19Å; L165-L237 HydrophobicContact CD2-CD1 4.28Å; L165-L237 HydrophobicContact CG-CD1 4.44Å; A166-L237 HydrophobicContact CB-CD2 3.96Å; I169-L237 HydrophobicContact CB-CD2 4.35Å; I169-L237 HydrophobicContact CD1-CB 4.32Å; I169-L237 HydrophobicContact CD1-CD2 3.51Å; I169-L237 HydrophobicContact CG1-CD2 4.18Å; L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 PolarHBondContact O-N 2.8Å; G235-L237 PolarHBondContact O-N 2.86Å; L237-F239 PolarHBondContact O-N 2.79Å; L237-F239 VanDerWaalsContact O-N 3.11Å; L237-S240 PolarHBondContact O-N 3.3Å; L237-S240 VanDerWaalsContact O-N 3.11Å; L237-E241 HydrophobicContact CD1-CG 4.23Å; L237-E241 HydrophobicContact CG-CG 4.37Å; L237-E241 WeakPolarHBondContact O-CG 3.29Å; L237-E241 PolarHBondContact O-N 2.7Å; L237-I247 HydrophobicContact CD1-CD1 4.17Å
238T93.1Very high94Very high37 Ų3727.7 Ų27.723%0.22714%0.144CC..Hα-helixtrans-56.8-30.8177.9-57.50000112K19 K234 G235 I236K19-T238 HydrophobicContact CD-CG2 3.98Å; K234-T238 WeakPolarHBondContact O-CB 3.44Å; K234-T238 PolarHBondContact O-N 2.84Å; K234-T238 PolarHBondContact O-OG1 3.42Å; G235-T238 WeakPolarHBondContact O-CB 3.4Å; G235-T238 PolarHBondContact O-N 2.97Å; I236-T238 VanDerWaalsContact C-N 3.33Å; I236-T238 PolarHBondContact O-N 3.48Å
239F95.4Very high94.1Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-80.3-42.8177-171.4-119.1000112.9V16 K19 A20 A23 V55 G235 I236 L237 E241 A242 T243 I262 V267 A269V16-F239 HydrophobicContact CG1-CE2 3.93Å; V16-F239 HydrophobicContact CG1-CZ 4.29Å; K19-F239 HydrophobicContact CB-CD2 4.07Å; A20-F239 HydrophobicContact CB-CD2 3.95Å; A20-F239 HydrophobicContact CB-CE2 3.5Å; A20-F239 HydrophobicContact CB-CZ 4.01Å; A23-F239 HydrophobicContact CB-CB 3.97Å; V55-F239 HydrophobicContact CG1-CE1 3.86Å; V55-F239 HydrophobicContact CG1-CZ 3.63Å; V55-F239 HydrophobicContact CG2-CE1 4.44Å; G235-F239 PolarHBondContact O-N 2.87Å; I236-F239 WeakPolarHBondContact O-CB 3.24Å; I236-F239 PolarHBondContact O-N 2.87Å; L237-F239 PolarHBondContact O-N 2.79Å; L237-F239 VanDerWaalsContact O-N 3.11Å; F239-E241 VanDerWaalsContact C-N 3.31Å; F239-E241 PolarHBondContact O-N 2.88Å; F239-A242 WeakPolarHBondContact O-CB 3.06Å; F239-A242 PolarHBondContact O-N 2.81Å; F239-A242 VanDerWaalsContact O-N 3.11Å; F239-T243 HydrophobicContact CE1-CG2 4.3Å; F239-T243 HydrophobicContact CE2-CG2 4.3Å; F239-T243 HydrophobicContact CZ-CG2 4.11Å; F239-T243 PolarHBondContact O-N 2.93Å; F239-T243 VanDerWaalsContact O-N 3.15Å; F239-T243 PolarHBondContact O-OG1 2.82Å; F239-T243 VanDerWaalsContact O-OG1 3.09Å; F239-I262 HydrophobicContact CD1-CD1 3.76Å; F239-V267 HydrophobicContact CE1-CG1 3.71Å; F239-V267 HydrophobicContact CZ-CG1 3.48Å; F239-V267 VanDerWaalsContact CZ-CG1 3.48Å; F239-A269 HydrophobicContact CD1-CB 3.95Å; F239-A269 HydrophobicContact CE1-CB 3.8Å
240S95Very high94.2Very high0 Ų028.2 Ų28.20%014%0.142CC..Hα-helixtrans-59.2-40.5174169.70000111.8P162 I236 L237 A242 T243 H244 A245 I247P162-S240 VanDerWaalsContact CB-OG 3.23Å; P162-S240 WeakPolarHBondContact CB-OG 3.27Å; P162-S240 WeakPolarHBondContact CG-OG 3.33Å; I236-S240 PolarHBondContact O-N 2.99Å; L237-S240 PolarHBondContact O-N 3.3Å; L237-S240 VanDerWaalsContact O-N 3.11Å; S240-A242 PolarHBondContact O-N 3.09Å; S240-T243 WeakPolarHBondContact CA-OG1 3.38Å; S240-T243 PolarHBondContact O-N 2.87Å; S240-T243 PolarHBondContact O-OG1 3.23Å; S240-H244 WeakPolarHBondContact O-CA 3.4Å; S240-H244 PolarHBondContact O-N 3.43Å; S240-A245 PolarHBondContact O-N 3.03Å; S240-A245 PolarHBondContact OG-O 3.36Å; S240-I247 WeakPolarHBondContact OG-CG1 3.43Å
241E92.6Very high94.3Very high89 Ų8928.2 Ų28.242%0.41614%0.142SC..Hα-helixtrans-60.5-32.5174.6-73.5-178.514900113.3P162 L237 F239 H244P162-E241 HydrophobicContact CB-CG 4.24Å; L237-E241 HydrophobicContact CD1-CG 4.23Å; L237-E241 HydrophobicContact CG-CG 4.37Å; L237-E241 WeakPolarHBondContact O-CG 3.29Å; L237-E241 PolarHBondContact O-N 2.7Å; F239-E241 VanDerWaalsContact C-N 3.31Å; F239-E241 PolarHBondContact O-N 2.88Å; E241-H244 PolarHBondContact O-CE1 3.17Å; E241-H244 VanDerWaalsContact O-CE1 3.25Å; E241-H244 PolarHBondContact O-ND1 3.2Å
242A91.4Very high94.4Very high24 Ų2425 Ų2520%0.19813%0.129CC..Hα-helixtrans-81-27.8-178.600000113.4K19 F239 S240K19-A242 HydrophobicContact CB-CB 3.82Å; K19-A242 HydrophobicContact CD-CB 4.23Å; K19-A242 HydrophobicContact CG-CB 3.57Å; F239-A242 WeakPolarHBondContact O-CB 3.06Å; F239-A242 PolarHBondContact O-N 2.81Å; F239-A242 VanDerWaalsContact O-N 3.11Å; S240-A242 PolarHBondContact O-N 3.09Å
243T92.4Very high94.3Very high23 Ų2329.1 Ų29.114%0.14115%0.147CC..Hα-helixtrans-93.4-15.7176.750.10000112.1V16 F239 S240 A245V16-T243 HydrophobicContact CG1-CG2 3.9Å; F239-T243 HydrophobicContact CE1-CG2 4.3Å; F239-T243 HydrophobicContact CE2-CG2 4.3Å; F239-T243 HydrophobicContact CZ-CG2 4.11Å; F239-T243 PolarHBondContact O-N 2.93Å; F239-T243 VanDerWaalsContact O-N 3.15Å; F239-T243 PolarHBondContact O-OG1 2.82Å; F239-T243 VanDerWaalsContact O-OG1 3.09Å; S240-T243 WeakPolarHBondContact CA-OG1 3.38Å; S240-T243 PolarHBondContact O-N 2.87Å; S240-T243 PolarHBondContact O-OG1 3.23Å; T243-A245 PolarHBondContact O-N 3.48Å
244H92.3Very high94.3Very high142 Ų14230.8 Ų30.866%0.65716%0.158SC*.THydrogen-bonded Turntrans55.725.5-171-59.7-60.2000113.6S240 E241S240-H244 WeakPolarHBondContact O-CA 3.4Å; S240-H244 PolarHBondContact O-N 3.43Å; E241-H244 PolarHBondContact O-CE1 3.17Å; E241-H244 VanDerWaalsContact O-CE1 3.25Å; E241-H244 PolarHBondContact O-ND1 3.2Å
245A94.7Very high94.1Very high7 Ų728.4 Ų28.46%0.05815%0.15CC..PPolyproline II helixtrans-99.2142.5-179.700000110.9S240 T243 I262 D264S240-A245 PolarHBondContact O-N 3.03Å; S240-A245 PolarHBondContact OG-O 3.36Å; T243-A245 PolarHBondContact O-N 3.48Å; A245-I262 HydrophobicContact CB-CG2 3.52Å; A245-D264 HydrophobicContact CB-CB 4.21Å
246P96.3Very high94.1Very high35 Ų3531.4 Ų31.423%0.22716%0.162CC..PPolyproline II helixtrans-65156.5178.328.3-34.4000112.1M159M159-P246 HydrophobicContact CG-CB 3.83Å; M159-P246 HydrophobicContact CG-CG 4.23Å; M159-P246 HydrophobicContact SD-CB 4.25Å; M159-P246 HydrophobicContact SD-CG 4Å
247I96.7Very high94Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-100.5120.7175.9-56.3171.4000108.1M159 I160 L165 I236 L237 S240 I249 L260 I262M159-I247 WeakPolarHBondContact CA-O 2.94Å; I160-I247 HydrophobicContact CG2-CB 4.18Å; I160-I247 PolarHBondContact N-O 2.84Å; I160-I247 PolarHBondContact O-N 2.85Å; L165-I247 HydrophobicContact CD2-CD1 3.84Å; I236-I247 HydrophobicContact CD1-CG2 4.36Å; L237-I247 HydrophobicContact CD1-CD1 4.17Å; S240-I247 WeakPolarHBondContact OG-CG1 3.43Å; I247-I249 HydrophobicContact CG2-CG1 4.14Å; I247-L260 HydrophobicContact CG2-CB 4.42Å; I247-I262 HydrophobicContact CG1-CD1 4.5Å; I247-I262 HydrophobicContact CG1-CG1 4.12Å
248S96.5Very high94Very high10 Ų1031.8 Ų31.87%0.0717%0.166CC..EExtended strand (participates in β ladder)trans-88131.9168.3-56.60000110.1L158 L260 S261L158-S248 CarbonylContact O-C 3.5Å; L158-S248 VanDerWaalsContact O-CA 3.3Å; L158-S248 WeakPolarHBondContact O-CA 3.42Å; S248-L260 CarbonylContact O-C 3.59Å; S248-L260 WeakPolarHBondContact O-CA 3.49Å; S248-S261 PolarHBondContact N-O 2.96Å; S248-S261 PolarHBondContact O-N 2.93Å
249I96.1Very high94.1Very high5 Ų530.2 Ų30.23%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-120.7118.7-175.8-51.8-176.8000107.5T157 L158 I160 L181 I247 F251 L258 L260T157-I249 WeakPolarHBondContact CA-O 3.31Å; L158-I249 HydrophobicContact CB-CB 4.27Å; L158-I249 PolarHBondContact N-O 3.09Å; L158-I249 PolarHBondContact O-N 2.81Å; I160-I249 HydrophobicContact CG2-CD1 3.98Å; L181-I249 HydrophobicContact CD2-CG2 4.43Å; I247-I249 HydrophobicContact CG2-CG1 4.14Å; I249-F251 HydrophobicContact CG2-CD1 3.84Å; I249-F251 HydrophobicContact CG2-CE1 4.12Å; I249-L258 HydrophobicContact CG2-CD1 3.57Å; I249-L260 HydrophobicContact CB-CD2 4.14Å; I249-L260 HydrophobicContact CD1-CD2 4.33Å; I249-L260 HydrophobicContact CG1-CD2 3.81Å; I249-L260 HydrophobicContact CG2-CD2 3.74Å
250Y96.2Very high94.2Very high41 Ų4130.3 Ų30.316%0.16116%0.157CC..EExtended strand (participates in β ladder)trans-119.9126.7-179.7-52.8-95.1000109.4K151 N156 T157 A259K151-Y250 HydrophobicContact CB-CD1 4.02Å; K151-Y250 HydrophobicContact CB-CD2 4.34Å; K151-Y250 HydrophobicContact CB-CE1 4.15Å; K151-Y250 HydrophobicContact CB-CE2 4.47Å; K151-Y250 HydrophobicContact CB-CG 4.13Å; K151-Y250 HydrophobicContact CD-CD2 4.2Å; K151-Y250 HydrophobicContact CD-CE2 3.88Å; K151-Y250 HydrophobicContact CG-CD2 4.29Å; K151-Y250 HydrophobicContact CG-CE2 4.43Å; K151-Y250 HydrophobicContact CG-CG 4.5Å; N156-Y250 WeakPolarHBondContact O-CA 3.49Å; T157-Y250 HydrophobicContact CG2-CD1 3.71Å; T157-Y250 HydrophobicContact CG2-CE1 3.46Å; T157-Y250 VanDerWaalsContact CG2-CE1 3.46Å; T157-Y250 WeakPolarHBondContact OG1-CD1 3.42Å; Y250-A259 PolarHBondContact N-O 3.31Å; Y250-A259 PolarHBondContact O-N 3.15Å
251F95.2Very high94.2Very high1 Ų130.5 Ų30.50%0.00416%0.158CC..EExtended strand (participates in β ladder)trans-157.1166.2-178.660.9-75.4000112.1N156 L158 L181 V183 I220 T224 I226 I249 L258N156-F251 HydrophobicContact CB-CD1 4.08Å; N156-F251 HydrophobicContact CB-CD2 3.99Å; N156-F251 HydrophobicContact CB-CE1 3.79Å; N156-F251 HydrophobicContact CB-CE2 3.69Å; N156-F251 HydrophobicContact CB-CG 4.16Å; N156-F251 HydrophobicContact CB-CZ 3.57Å; N156-F251 WeakPolarHBondContact CB-O 2.88Å; N156-F251 PolarHBondContact N-O 3.43Å; N156-F251 VanDerWaalsContact N-O 3.08Å; N156-F251 WeakPolarHBondContact ND2-CE2 3.44Å; N156-F251 PolarHBondContact O-N 2.8Å; L158-F251 HydrophobicContact CD1-CE1 3.91Å; L158-F251 HydrophobicContact CD1-CZ 4.24Å; L158-F251 HydrophobicContact CG-CE1 4.17Å; L181-F251 HydrophobicContact CD2-CE1 4.27Å; L181-F251 HydrophobicContact CD2-CZ 4.32Å; V183-F251 HydrophobicContact CB-CZ 4.12Å; V183-F251 HydrophobicContact CG2-CE2 4.23Å; V183-F251 HydrophobicContact CG2-CZ 3.67Å; I220-F251 HydrophobicContact CD1-CZ 4.14Å; T224-F251 HydrophobicContact CG2-CD2 4.01Å; T224-F251 HydrophobicContact CG2-CE2 3.97Å; I226-F251 HydrophobicContact CD1-CB 3.78Å; I226-F251 HydrophobicContact CD1-CD2 3.73Å; I226-F251 HydrophobicContact CD1-CG 3.82Å; I226-F251 HydrophobicContact CG1-CD2 4.36Å; I249-F251 HydrophobicContact CG2-CD1 3.84Å; I249-F251 HydrophobicContact CG2-CE1 4.12Å; F251-L258 HydrophobicContact CB-CD1 3.82Å; F251-L258 HydrophobicContact CD1-CD1 4.28Å; F251-L258 HydrophobicContact CG-CD1 4.32Å
252D93.2Very high94.4Very high27 Ų2726.3 Ų26.314%0.14414%0.138CC..  trans-127.9-148.2172.6-73.6-49.2000107.9T155 T224 K256T155-D252 VanDerWaalsContact CB-OD1 3.28Å; T155-D252 WeakPolarHBondContact CB-OD1 3.1Å; T155-D252 WeakPolarHBondContact CG2-OD1 3.45Å; T155-D252 PolarHBondContact N-OD1 3.33Å; T155-D252 PolarHBondContact OG1-OD1 2.91Å; T224-D252 VanDerWaalsContact CG2-O 3.23Å; T224-D252 WeakPolarHBondContact CG2-O 3.04Å; D252-K256 HydrophobicContact CB-CB 4.1Å; D252-K256 HydrophobicContact CB-CG 4.19Å
253F91.7Very high94.5Very high103 Ų10330.7 Ų30.745%0.45216%0.158SC..SBendtrans-71.3163.2178.957.7-91.4000114.2K256F253-K256 HydrophobicContact CD1-CG 4.18Å; F253-K256 HydrophobicContact CD2-CG 3.92Å; F253-K256 HydrophobicContact CE1-CD 4.5Å; F253-K256 HydrophobicContact CE1-CG 3.87Å; F253-K256 HydrophobicContact CE2-CD 4.27Å; F253-K256 HydrophobicContact CE2-CG 3.61Å; F253-K256 HydrophobicContact CG-CG 4.22Å; F253-K256 HydrophobicContact CZ-CD 4.02Å; F253-K256 HydrophobicContact CZ-CG 3.6Å; F253-K256 WeakPolarHBondContact O-CB 3.49Å; F253-K256 PolarHBondContact O-N 3.01Å; F253-K256 VanDerWaalsContact O-N 3.12Å
254P93.8Very high94.5Very high37 Ų3732.4 Ų32.424%0.2417%0.167CC..THydrogen-bonded Turntrans-53.5138.6179.1-28.438.4000113.7E225 I226 K256 L276 D278E225-P254 WeakPolarHBondContact O-CG 3.43Å; I226-P254 HydrophobicContact CG2-CG 4.17Å; P254-K256 VanDerWaalsContact C-N 3.31Å; P254-L276 WeakPolarHBondContact CB-O 3.33Å; P254-D278 HydrophobicContact CB-CB 4.23Å
255G90.4Very high94.4Very high7 Ų733.8 Ų33.87%0.07218%0.176CC..THydrogen-bonded Turntrans87-9.6-174.600000114.4T275 L276 S377G255-T275 WeakPolarHBondContact CA-OG1 3.38Å; G255-T275 PolarHBondContact N-OG1 2.98Å; G255-L276 PolarHBondContact N-O 3.1Å; G255-L276 VanDerWaalsContact N-O 3.08Å; G255-S377 PolarHBondContact O-OG 3.41Å
256K92.4Very high94.3Very high63 Ų6336.6 Ų36.627%0.27419%0.189SC..SBendtrans-88.3147.6164.4-66.9-69.5-172.4174.70110.6D252 F253 P254 T275 M379D252-K256 HydrophobicContact CB-CB 4.1Å; D252-K256 HydrophobicContact CB-CG 4.19Å; F253-K256 HydrophobicContact CD1-CG 4.18Å; F253-K256 HydrophobicContact CD2-CG 3.92Å; F253-K256 HydrophobicContact CE1-CD 4.5Å; F253-K256 HydrophobicContact CE1-CG 3.87Å; F253-K256 HydrophobicContact CE2-CD 4.27Å; F253-K256 HydrophobicContact CE2-CG 3.61Å; F253-K256 HydrophobicContact CG-CG 4.22Å; F253-K256 HydrophobicContact CZ-CD 4.02Å; F253-K256 HydrophobicContact CZ-CG 3.6Å; F253-K256 WeakPolarHBondContact O-CB 3.49Å; F253-K256 PolarHBondContact O-N 3.01Å; F253-K256 VanDerWaalsContact O-N 3.12Å; P254-K256 VanDerWaalsContact C-N 3.31Å; K256-T275 PolarHBondContact N-OG1 3.28Å; K256-T275 WeakPolarHBondContact O-CB 3.18Å; K256-T275 VanDerWaalsContact O-CG2 3.26Å; K256-T275 WeakPolarHBondContact O-CG2 3.36Å; K256-T275 PolarHBondContact O-OG1 2.91Å; K256-M379 HydrophobicContact CD-CE 3.7Å; K256-M379 HydrophobicContact CD-SD 4.4Å
257P93.3Very high94.3Very high17 Ų1735.1 Ų35.111%0.1118%0.18CC..PPolyproline II helixtrans-66.5146.4-178.530.3-38.1000111.9F149 I272 L273F149-P257 HydrophobicContact CD2-CG 4.01Å; F149-P257 HydrophobicContact CE2-CB 4.32Å; F149-P257 HydrophobicContact CE2-CG 3.4Å; F149-P257 HydrophobicContact CZ-CG 4.18Å; P257-I272 HydrophobicContact CB-CG2 3.91Å; P257-L273 CarbonylContact C-O 3.56Å; P257-L273 VanDerWaalsContact CA-O 3.3Å; P257-L273 WeakPolarHBondContact CA-O 3.24Å
258L95.4Very high94.2Very high0 Ų039.2 Ų39.20%020%0.199CC..EExtended strand (participates in β ladder)trans-94.2126.7170.1168.966000108.8I226 F228 I249 F251 L260 I272 L273 T275I226-L258 HydrophobicContact CD1-CB 4.3Å; I226-L258 HydrophobicContact CD1-CD1 3.97Å; I226-L258 HydrophobicContact CD1-CD2 4.33Å; I226-L258 HydrophobicContact CD1-CG 4.44Å; F228-L258 HydrophobicContact CB-CD2 4.34Å; F228-L258 HydrophobicContact CD1-CD2 3.55Å; F228-L258 HydrophobicContact CD2-CD2 3.58Å; F228-L258 HydrophobicContact CE1-CD2 3.58Å; F228-L258 HydrophobicContact CE2-CD2 3.59Å; F228-L258 HydrophobicContact CG-CD2 3.55Å; F228-L258 HydrophobicContact CZ-CD2 3.6Å; I249-L258 HydrophobicContact CG2-CD1 3.57Å; F251-L258 HydrophobicContact CB-CD1 3.82Å; F251-L258 HydrophobicContact CD1-CD1 4.28Å; F251-L258 HydrophobicContact CG-CD1 4.32Å; L258-L260 HydrophobicContact CD1-CD2 4.03Å; L258-L260 HydrophobicContact CD2-CD2 4.17Å; L258-L260 HydrophobicContact CD2-CG 4.4Å; L258-L260 HydrophobicContact CG-CD2 4.06Å; L258-L260 HydrophobicContact CG-CG 4.25Å; L258-I272 CarbonylContact O-C 3.52Å; L258-I272 WeakPolarHBondContact O-CA 3.18Å; L258-L273 HydrophobicContact CB-CB 4.49Å; L258-L273 HydrophobicContact CD2-CD1 4.42Å; L258-L273 PolarHBondContact N-O 2.76Å; L258-L273 PolarHBondContact O-N 3.12Å; L258-T275 HydrophobicContact CB-CG2 3.83Å
259A95.9Very high94.2Very high4 Ų438.8 Ų38.83%0.03320%0.196CC..EExtended strand (participates in β ladder)trans-108.2122.1172.700000111.2F149 Y250 F271F149-A259 HydrophobicContact CD1-CB 3.58Å; F149-A259 HydrophobicContact CE1-CB 3.37Å; F149-A259 HydrophobicContact CZ-CB 4.27Å; Y250-A259 PolarHBondContact N-O 3.31Å; Y250-A259 PolarHBondContact O-N 3.15Å; A259-F271 CarbonylContact C-O 3.58Å; A259-F271 WeakPolarHBondContact CA-O 3.41Å
260L96.6Very high94.1Very high2 Ų240.2 Ų40.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-106.6125.3172.7-50.8174.2000108.2L233 I236 I247 S248 I249 L258 F271 L273L233-L260 HydrophobicContact CD1-CD1 3.82Å; I236-L260 HydrophobicContact CD1-CB 3.5Å; I236-L260 VanDerWaalsContact CD1-CB 3.5Å; I236-L260 HydrophobicContact CG2-CB 4.34Å; I236-L260 HydrophobicContact CG2-CD1 3.72Å; I247-L260 HydrophobicContact CG2-CB 4.42Å; S248-L260 CarbonylContact O-C 3.59Å; S248-L260 WeakPolarHBondContact O-CA 3.49Å; I249-L260 HydrophobicContact CB-CD2 4.14Å; I249-L260 HydrophobicContact CD1-CD2 4.33Å; I249-L260 HydrophobicContact CG1-CD2 3.81Å; I249-L260 HydrophobicContact CG2-CD2 3.74Å; L258-L260 HydrophobicContact CD1-CD2 4.03Å; L258-L260 HydrophobicContact CD2-CD2 4.17Å; L258-L260 HydrophobicContact CD2-CG 4.4Å; L258-L260 HydrophobicContact CG-CD2 4.06Å; L258-L260 HydrophobicContact CG-CG 4.25Å; L260-F271 HydrophobicContact CB-CB 4.22Å; L260-F271 PolarHBondContact N-O 2.8Å; L260-F271 PolarHBondContact O-N 2.81Å; L260-L273 HydrophobicContact CD1-CD1 3.8Å
261S95.9Very high94.1Very high3 Ų338.3 Ų38.32%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-133141.7-174.3-172.40000112K151 S248 A269 N270K151-S261 PolarHBondContact NZ-OG 2.69Å; S248-S261 PolarHBondContact N-O 2.96Å; S248-S261 PolarHBondContact O-N 2.93Å; S261-A269 CarbonylContact C-O 3.59Å; S261-A269 WeakPolarHBondContact CA-O 3.48Å; S261-A269 PolarHBondContact OG-O 2.91Å; S261-A269 VanDerWaalsContact OG-O 3.11Å; S261-N270 PolarHBondContact OG-OD1 2.83Å
262I96.2Very high94.1Very high1 Ų138.6 Ų38.61%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-121.8126.5168.6-61.6156.9000105.9I236 F239 A245 I247 E268 A269I236-I262 HydrophobicContact CD1-CD1 4.02Å; I236-I262 HydrophobicContact CD1-CG1 4.18Å; I236-I262 HydrophobicContact CG1-CD1 3.54Å; I236-I262 HydrophobicContact CG1-CG1 4.22Å; F239-I262 HydrophobicContact CD1-CD1 3.76Å; A245-I262 HydrophobicContact CB-CG2 3.52Å; I247-I262 HydrophobicContact CG1-CD1 4.5Å; I247-I262 HydrophobicContact CG1-CG1 4.12Å; I262-E268 CarbonylContact O-C 3.58Å; I262-E268 WeakPolarHBondContact O-CA 3.41Å; I262-A269 HydrophobicContact CB-CB 4.17Å; I262-A269 HydrophobicContact CD1-CB 4.38Å; I262-A269 PolarHBondContact N-O 2.99Å; I262-A269 PolarHBondContact O-N 2.99Å
263D93.5Very high94.2Very high116 Ų11637.3 Ų37.362%0.6219%0.191SC*.EExtended strand (participates in β ladder)trans-119.3110.8176.2-165.4-0.7000108
264D92.3Very high94.3Very high59 Ų5933 Ų3332%0.31617%0.174SC..EExtended strand (participates in β ladder)trans-127.5155.1175.9-179.832.8000108.9A245 L266 V267A245-D264 HydrophobicContact CB-CB 4.21Å; D264-L266 PolarHBondContact O-N 2.81Å; D264-V267 PolarHBondContact N-O 3.31Å; D264-V267 CarbonylContact O-C 3.58Å; D264-V267 PolarHBondContact O-N 3.28Å
265M89.9Confident94.4Very high171 Ų17131.2 Ų31.284%0.84216%0.162SC*.THydrogen-bonded Turntrans-53.4-27.7-170.4-67.8-62.5-60.700114.7
266L93.3Very high94.5Very high66 Ų6632 Ų3235%0.34616%0.164SC..THydrogen-bonded Turntrans-115.2-9.3-177.1-60179.5000113.4S58 V60 F61 D264S58-L266 WeakPolarHBondContact CB-O 3.47Å; S58-L266 PolarHBondContact N-O 3.41Å; V60-L266 HydrophobicContact CB-CD2 4.1Å; V60-L266 HydrophobicContact CG1-CD2 4.1Å; F61-L266 HydrophobicContact CB-CB 4.25Å; F61-L266 HydrophobicContact CD2-CB 4.17Å; D264-L266 PolarHBondContact O-N 2.81Å
267V95.1Very high94.3Very high4 Ų431 Ų312%0.02417%0.168CC..EExtended strand (participates in β ladder)trans-148.9126.3-166177.30000110V55 L56 F57 F61 F239 D264V55-V267 HydrophobicContact CG1-CG1 3.95Å; L56-V267 WeakPolarHBondContact O-CA 3.44Å; F57-V267 HydrophobicContact CD1-CG1 4.49Å; F57-V267 HydrophobicContact CD1-CG2 3.72Å; F57-V267 HydrophobicContact CE1-CG1 4.33Å; F57-V267 HydrophobicContact CE1-CG2 3.97Å; F61-V267 HydrophobicContact CD2-CG2 3.88Å; F61-V267 HydrophobicContact CE2-CG2 4.09Å; F239-V267 HydrophobicContact CE1-CG1 3.71Å; F239-V267 HydrophobicContact CZ-CG1 3.48Å; F239-V267 VanDerWaalsContact CZ-CG1 3.48Å; D264-V267 PolarHBondContact N-O 3.31Å; D264-V267 CarbonylContact O-C 3.58Å; D264-V267 PolarHBondContact O-N 3.28Å
268E95.3Very high93.7Very high87 Ų8736.3 Ų36.341%0.40720%0.196SC..EExtended strand (participates in β ladder)trans-115.2129.2172.1-64.7171-155.800109.2V55 L56 I262V55-E268 CarbonylContact C-O 3.59Å; V55-E268 WeakPolarHBondContact CA-O 3.27Å; L56-E268 HydrophobicContact CB-CB 4.34Å; L56-E268 PolarHBondContact N-O 2.98Å; L56-E268 PolarHBondContact O-N 2.84Å; I262-E268 CarbonylContact O-C 3.58Å; I262-E268 WeakPolarHBondContact O-CA 3.41Å
269A96Very high91.8Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-119.4138.8171.400000111.2C54 V55 F239 S261 I262 F271C54-A269 CarbonylContact O-C 3.48Å; C54-A269 WeakPolarHBondContact O-CA 3.32Å; V55-A269 HydrophobicContact CG1-CB 4.49Å; V55-A269 HydrophobicContact CG2-CB 3.98Å; F239-A269 HydrophobicContact CD1-CB 3.95Å; F239-A269 HydrophobicContact CE1-CB 3.8Å; S261-A269 CarbonylContact C-O 3.59Å; S261-A269 WeakPolarHBondContact CA-O 3.48Å; S261-A269 PolarHBondContact OG-O 2.91Å; S261-A269 VanDerWaalsContact OG-O 3.11Å; I262-A269 HydrophobicContact CB-CB 4.17Å; I262-A269 HydrophobicContact CD1-CB 4.38Å; I262-A269 PolarHBondContact N-O 2.99Å; I262-A269 PolarHBondContact O-N 2.99Å; A269-F271 HydrophobicContact CB-CE2 4.3Å
270N95.3Very high89.4Confident36 Ų3646.7 Ų46.719%0.19325%0.254CS..EExtended strand (participates in β ladder)trans-139.7113.6-179.6-65.2-62.5000109.3C54 K151 S261C54-N270 PolarHBondContact N-O 2.73Å; C54-N270 PolarHBondContact O-N 2.98Å; K151-N270 WeakPolarHBondContact CE-OD1 3.27Å; K151-N270 PolarHBondContact NZ-OD1 2.7Å; S261-N270 PolarHBondContact OG-OD1 2.83Å
271F95.8Very high86.7Confident0 Ų051 Ų510%028%0.284CS..EExtended strand (participates in β ladder)trans-115.8118.6179.2-76.5-130.5000107.1A23 L24 I27 Y52 V55 I236 A259 L260 A269 L273A23-F271 HydrophobicContact CB-CZ 4.1Å; L24-F271 HydrophobicContact CD2-CE2 4.18Å; L24-F271 HydrophobicContact CD2-CZ 3.79Å; L24-F271 HydrophobicContact CG-CZ 4.48Å; I27-F271 HydrophobicContact CD1-CD1 3.35Å; I27-F271 HydrophobicContact CD1-CE1 3.24Å; I27-F271 HydrophobicContact CD1-CG 4.24Å; I27-F271 HydrophobicContact CD1-CZ 4.07Å; I27-F271 HydrophobicContact CG1-CD1 4.3Å; I27-F271 HydrophobicContact CG1-CE1 4.15Å; Y52-F271 CarbonylContact O-C 3.47Å; Y52-F271 VanDerWaalsContact O-CA 3.3Å; Y52-F271 WeakPolarHBondContact O-CA 3.38Å; V55-F271 HydrophobicContact CG2-CE2 4.09Å; I236-F271 HydrophobicContact CB-CD1 4Å; I236-F271 HydrophobicContact CB-CD2 4.43Å; I236-F271 HydrophobicContact CB-CE1 4.16Å; I236-F271 HydrophobicContact CB-CG 4.19Å; I236-F271 HydrophobicContact CB-CZ 4.48Å; I236-F271 HydrophobicContact CD1-CB 4.2Å; I236-F271 HydrophobicContact CD1-CD2 3.97Å; I236-F271 HydrophobicContact CD1-CG 4.07Å; I236-F271 HydrophobicContact CG1-CD2 4.24Å; I236-F271 HydrophobicContact CG1-CE2 4.47Å; I236-F271 HydrophobicContact CG1-CG 4.4Å; A259-F271 CarbonylContact C-O 3.58Å; A259-F271 WeakPolarHBondContact CA-O 3.41Å; L260-F271 HydrophobicContact CB-CB 4.22Å; L260-F271 PolarHBondContact N-O 2.8Å; L260-F271 PolarHBondContact O-N 2.81Å; A269-F271 HydrophobicContact CB-CE2 4.3Å; F271-L273 HydrophobicContact CB-CD2 4.28Å
272I95.4Very high83.7Confident8 Ų861.3 Ų61.34%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-115115.4-177.7-54.5161.9000107.2A51 Y52 V147 F149 P257 L258 F381A51-I272 WeakPolarHBondContact CA-O 3.2Å; Y52-I272 HydrophobicContact CD1-CD1 3.83Å; Y52-I272 HydrophobicContact CD1-CG1 4.31Å; Y52-I272 HydrophobicContact CE1-CD1 4.36Å; Y52-I272 PolarHBondContact N-O 3.01Å; Y52-I272 PolarHBondContact O-N 2.76Å; V147-I272 HydrophobicContact CB-CD1 4.08Å; V147-I272 HydrophobicContact CG1-CD1 3.49Å; V147-I272 VanDerWaalsContact CG1-CD1 3.49Å; F149-I272 HydrophobicContact CB-CD1 3.48Å; F149-I272 VanDerWaalsContact CB-CD1 3.48Å; F149-I272 HydrophobicContact CB-CG1 4.16Å; F149-I272 HydrophobicContact CD2-CG2 4.49Å; F149-I272 HydrophobicContact CG-CD1 4.28Å; F149-I272 HydrophobicContact CG-CG1 4.47Å; F149-I272 HydrophobicContact CG-CG2 4.5Å; P257-I272 HydrophobicContact CB-CG2 3.91Å; L258-I272 CarbonylContact O-C 3.52Å; L258-I272 WeakPolarHBondContact O-CA 3.18Å; I272-F381 HydrophobicContact CG2-CE1 3.79Å; I272-F381 HydrophobicContact CG2-CZ 3.99Å
273L95Very high80.9Confident0 Ų066.2 Ų66.20%036%0.363CS..EExtended strand (participates in β ladder)trans-118.3136.7-170.6-43.2-174.6000109.3A51 F228 E232 P257 L258 L260 F271A51-L273 HydrophobicContact CB-CD2 4.11Å; F228-L273 HydrophobicContact CD2-CD1 3.99Å; F228-L273 HydrophobicContact CE2-CD1 4.48Å; E232-L273 HydrophobicContact CB-CD1 3.79Å; E232-L273 HydrophobicContact CB-CD2 3.96Å; E232-L273 HydrophobicContact CG-CD2 4.38Å; E232-L273 VanDerWaalsContact OE2-CD2 3.24Å; E232-L273 WeakPolarHBondContact OE2-CD2 3.41Å; P257-L273 CarbonylContact C-O 3.56Å; P257-L273 VanDerWaalsContact CA-O 3.3Å; P257-L273 WeakPolarHBondContact CA-O 3.24Å; L258-L273 HydrophobicContact CB-CB 4.49Å; L258-L273 HydrophobicContact CD2-CD1 4.42Å; L258-L273 PolarHBondContact N-O 2.76Å; L258-L273 PolarHBondContact O-N 3.12Å; L260-L273 HydrophobicContact CD1-CD1 3.8Å; F271-L273 HydrophobicContact CB-CD2 4.28Å
274A94.1Very high77.9Confident11 Ų1165.6 Ų65.69%0.09137%0.368CS..  trans-68.9144169.800000110.2S50S50-A274 VanDerWaalsContact O-CB 3.28Å; S50-A274 WeakPolarHBondContact O-CB 3.29Å; S50-A274 PolarHBondContact O-N 3.26Å
275T95.1Very high74.9Confident1 Ų167.6 Ų67.61%0.00639%0.386CS..  trans-105.7152.6169.466.10000109.3I226 T227 F228 G255 K256 L258 A277I226-T275 HydrophobicContact CB-CG2 4Å; I226-T275 HydrophobicContact CD1-CG2 3.99Å; I226-T275 HydrophobicContact CG1-CG2 4.49Å; I226-T275 HydrophobicContact CG2-CG2 4.34Å; T227-T275 CarbonylContact O-C 3.59Å; T227-T275 VanDerWaalsContact O-CA 3.27Å; T227-T275 WeakPolarHBondContact O-CA 3.37Å; F228-T275 HydrophobicContact CB-CG2 4.43Å; G255-T275 WeakPolarHBondContact CA-OG1 3.38Å; G255-T275 PolarHBondContact N-OG1 2.98Å; K256-T275 PolarHBondContact N-OG1 3.28Å; K256-T275 WeakPolarHBondContact O-CB 3.18Å; K256-T275 VanDerWaalsContact O-CG2 3.26Å; K256-T275 WeakPolarHBondContact O-CG2 3.36Å; K256-T275 PolarHBondContact O-OG1 2.91Å; L258-T275 HydrophobicContact CB-CG2 3.83Å; T275-A277 PolarHBondContact O-N 3.41Å
276L92.5Very high72.3Confident22 Ų2265.7 Ų65.712%0.11539%0.387CS..BIsolated β-bridgetrans-63.4135.5170.4-66.9-178000109.4E178 T227 P254 G255 F376E178-L276 WeakPolarHBondContact OE2-CD1 3.23Å; T227-L276 HydrophobicContact CG2-CD1 3.75Å; T227-L276 HydrophobicContact CG2-CG 4.38Å; T227-L276 PolarHBondContact O-N 2.88Å; P254-L276 WeakPolarHBondContact CB-O 3.33Å; G255-L276 PolarHBondContact N-O 3.1Å; G255-L276 VanDerWaalsContact N-O 3.08Å; L276-F376 HydrophobicContact CD2-CD1 3.57Å; L276-F376 HydrophobicContact CD2-CD2 4.34Å; L276-F376 HydrophobicContact CD2-CE1 3.42Å; L276-F376 VanDerWaalsContact CD2-CE1 3.42Å; L276-F376 HydrophobicContact CD2-CE2 4.21Å; L276-F376 HydrophobicContact CD2-CG 4.03Å; L276-F376 HydrophobicContact CD2-CZ 3.76Å; L276-F376 HydrophobicContact CG-CD1 4.49Å; L276-F376 HydrophobicContact CG-CE1 4.14Å
277A88.8Confident69.4Low42 Ų4270.9 Ų70.935%0.34741%0.41SS..  trans-75.2143.5168.800000109.1T275 E279T275-A277 PolarHBondContact O-N 3.41Å; A277-E279 PolarHBondContact O-N 2.91Å; A277-E279 VanDerWaalsContact O-N 3.1Å
278D79.9Confident66.5Low129 Ų12975.6 Ų75.669%0.6944%0.443SS*.  trans-67110.7169.8-161.211.1000107.4P254 S280P254-D278 HydrophobicContact CB-CB 4.23Å; D278-S280 PolarHBondContact O-N 2.88Å
279E56.7Low63.4Low130 Ų13080 Ų8061%0.60747%0.468SS*.  trans-69.779.6167-79.3-95.4153.300105.8A277 S281A277-E279 PolarHBondContact O-N 2.91Å; A277-E279 VanDerWaalsContact O-N 3.1Å; E279-S281 VanDerWaalsContact C-N 3.33Å; E279-S281 PolarHBondContact O-N 2.82Å
280S45.3Very low60.2Low92 Ų9285.6 Ų85.664%0.64351%0.506SS*.  trans-55.7107.8165.169.30000105.5D278 R282D278-S280 PolarHBondContact O-N 2.88Å; S280-R282 PolarHBondContact O-N 3.05Å
281S38.3Very low57.1Low94 Ų9491.3 Ų91.366%0.65754%0.536SS*.  trans-35114.8174.154.60000109.7E279 A283E279-S281 VanDerWaalsContact C-N 3.33Å; E279-S281 PolarHBondContact O-N 2.82Å; S281-A283 PolarHBondContact O-N 3.23Å
282R34.9Very low54Low219 Ų21997.2 Ų97.283%0.82658%0.577SS**SBendtrans-57.2117.8176.2-67.6-177.7-138.8165.88.1107.4S280S280-R282 PolarHBondContact O-N 3.05Å
283A35.9Very low51.1Low103 Ų103105.2 Ų105.285%0.85161%0.614SS**  trans56.187.4164.500000116.3S281S281-A283 PolarHBondContact O-N 3.23Å
284S30.7Very low47.9Very low103 Ų103114.8 Ų114.872%0.7266%0.655SS**  trans-115.8123.3133.848.20000108
285S29.9Very low44.8Very low101 Ų101125.9 Ų125.971%0.70670%0.695SS**  trans-59.1144.2-177.141.80000112Q287S285-Q287 PolarHBondContact O-N 3.14Å
286P35.2Very low41.7Very low132 Ų132135.9 Ų135.986%0.85774%0.739SS**  trans-79.390.8168.229.8-28.3000109.1
287Q31.9Very low38.5Very low175 Ų175146 Ų14682%0.81878%0.775SS**  trans-79.6113.4148.8-100.4179.9-10.400108S285S285-Q287 PolarHBondContact O-N 3.14Å
288S35.2Very low35.8Very low103 Ų103148.3 Ų148.372%0.7279%0.788SS**  trans-14.1125.9168.359.10000116.9
289L29.5Very low33.3Very low179 Ų179149.8 Ų149.894%0.93780%0.797SS**  trans-127.293.7152.5-74.6174.2000110
290C28.2Very low32.1Very low117 Ų117151.1 Ų151.179%0.79181%0.807SS**  trans-73.7127.1154-79.20000109
291L31Very low31.5Very low157 Ų157154.8 Ų154.882%0.82282%0.818SS**  trans36.6120.5143.1-67.4162.4000118.9
292S30Very low31.1Very low123 Ų123159.1 Ų159.186%0.8682%0.824SS**  -151.4117.4117.863.60000112.9
293Q34.2Very low30.7Very low177 Ų177158.3 Ų158.383%0.82783%0.827SS**  trans-72.3137.9153.8-72.5171.8-2300109.2
294K29.1Very low30.4Very low200 Ų200162.9 Ų162.987%0.8783%0.828SS**  trans-165.8102.8147-109.2171.3-175.9-179.60108.8
295R28.9Very low30.2Very low244 Ų244163.1 Ų163.192%0.92184%0.836SS**  65.5115.194.6-101-174.6178.2177.90.5114.9
296K29.6Very low30Very low212 Ų212161.9 Ų161.992%0.92284%0.839SS**  trans-43.5136160.1-75.1175172175.60112.5
297R25.7Very low29.8Very low235 Ų235165.8 Ų165.889%0.88784%0.843SS**  trans-152.2134.9138.1-161.4170.5180169-1109.8
298S30.7Very low29.5Very low89 Ų89164.8 Ų164.862%0.62284%0.843SS**  trans-56.4153.3172.247.50000113.5
299D29.5Very low29.4Very low161 Ų161167.8 Ų167.886%0.86185%0.849SS**  -161.9145.3124.9-89-24.9000112.7
300L31.1Very low29.4Very low157 Ų157165.9 Ų165.982%0.82285%0.845SS**  trans-101.5117.7-172.9177.789.6000109.4
301I31.8Very low29.6Very low170 Ų170163.6 Ų163.687%0.87284%0.841SS**  trans-141.2122.5156.8-60.9-176.3000109.9
302K29.3Very low29.6Very low184 Ų184165.6 Ų165.680%0.885%0.846SS**  trans-80.9139.9169.4-77.7176.6173.9174.60110.5
303K27.5Very low29.4Very low203 Ų203164.2 Ų164.288%0.88384%0.842SS**  -179.2120.6118.9-100173.7-176.7179.10114
304K29.1Very low29.3Very low199 Ų199164 Ų16487%0.86585%0.846SS**  trans47.1122.3137.7-72.8-170.3174.6-174.30123
305A26.3Very low29.2Very low107 Ų107163.1 Ų163.188%0.88485%0.845SS**  86.3120123.900000120
306G25.4Very low29.1Very low76 Ų76157 Ų15778%0.78484%0.838SS**  trans140118.7144.100000116
307K31.9Very low29.2Very low214 Ų214153.2 Ų153.293%0.9383%0.827SS**  trans87.3111.8156-89.5172.8172.1173.70120.4
308N26.4Very low29.3Very low153 Ų153146.5 Ų146.582%0.81882%0.816SS**  trans-47.1140.2156.1-50.9-30.9000112.2
309I32.6Very low29.2Very low167 Ų167152.9 Ų152.986%0.85683%0.826SS**  trans-152129136-85.2131.9000106.8
310T30.1Very low29.1Very low139 Ų139154.6 Ų154.685%0.85383%0.826SS**  trans-68.2121.2180-35.50000110.2
311G31Very low28.9Very low69 Ų69152.1 Ų152.171%0.71183%0.828SS**  trans-121.3117.7165.400000108.4A313G311-A313 PolarHBondContact O-N 2.96Å
312Q31.3Very low28.7Very low198 Ų198148.2 Ų148.293%0.92582%0.821SS**PPolyproline II helixtrans-59.2125.7177.7-80.9167.4-23.100110.1
313A26.4Very low28.7Very low94 Ų94145.5 Ų145.578%0.77782%0.823SS**PPolyproline II helixtrans-80.4134.117300000109.8G311 E315G311-A313 PolarHBondContact O-N 2.96Å; A313-E315 PolarHBondContact O-N 3.16Å
314L31.6Very low28.7Very low173 Ų173147.1 Ų147.191%0.90682%0.823SS**PPolyproline II helixtrans-71.7117.4167.1-150.991.2000107.9C316L314-C316 PolarHBondContact O-N 3.07Å
315E27.5Very low28.6Very low181 Ų181148.2 Ų148.285%0.84682%0.822SS**  trans-77.3107.8176.1-83.7-174.2150.400110.5A313A313-E315 PolarHBondContact O-N 3.16Å
316C25.7Very low28.5Very low116 Ų116150.7 Ų150.778%0.78482%0.819SS**  trans-88.1110.7167.4-177.50000108.9L314 S318L314-C316 PolarHBondContact O-N 3.07Å; C316-S318 PolarHBondContact O-N 3.02Å
317I32.3Very low28.4Very low132 Ų132157 Ų15768%0.67782%0.821SS**  trans-85.689.1172.7-57.1177.2000108.3R319I317-R319 HydrophobicContact CG2-CG 4.11Å
318S27.2Very low28.3Very low94 Ų94152.6 Ų152.666%0.65782%0.815SS**  trans-84.5108.9166.6-176.40000109.3C316C316-S318 PolarHBondContact O-N 3.02Å
319R30.2Very low28.2Very low223 Ų223155.3 Ų155.384%0.84282%0.819SS**  trans-95101.2169.4-73.9-176.4-176.61652.6109.4I317I317-R319 HydrophobicContact CG2-CG 4.11Å
320K26.4Very low27.9Very low198 Ų198156.3 Ų156.386%0.86182%0.82SS**  trans-83.8108.2159.8-75.1-175.4176.7-177.10108.4
321A28.1Very low27.6Very low104 Ų104156.6 Ų156.686%0.8682%0.822SS**  trans-84.6114.6169.800000109
322A26.7Very low27.4Very low88 Ų88160.2 Ų160.273%0.72782%0.824SS**  trans-101.4137.5165.600000108.6R324A322-R324 PolarHBondContact O-N 2.88Å
323P29.4Very low27.1Very low128 Ų128157 Ų15783%0.83182%0.818SS**  trans-77.5115.7-173.628.6-30.5000110.6
324R26.4Very low26.9Very low237 Ų237158.5 Ų158.589%0.89481%0.813SS**  trans-89.6105.7164.9-83.4-169.9174.9-177.3-0.1109.7A322A322-R324 PolarHBondContact O-N 2.88Å
325R27.1Very low26.8Very low222 Ų222157.5 Ų157.584%0.83881%0.807SS**  trans-63.2129.1160-73-173.6-178.8-167.80.5109.1
326L25.3Very low26.6Very low159 Ų159153.7 Ų153.783%0.83280%0.8SS**  trans-134.5116.7160-73173.2000108.9
327Y23.9Very low26.6Very low207 Ų207152.6 Ų152.681%0.81280%0.8SS**  trans-67.7147.2165.1-86.7-92.6000109.8
328P27.8Very low26.2Very low123 Ų123153.9 Ų153.980%0.79981%0.807SS**  trans-85136.6171.427.9-19.5000110.6
329K25Very low26.1Very low210 Ų210156.4 Ų156.491%0.91381%0.809SS**  trans-117.4123.9160.5-122.4-177.1-177.9-176.90108.1
330E25.7Very low26Very low187 Ų187151.9 Ų151.987%0.87480%0.801SS**  trans-64.5142.3175.5-63.8170.514500111.5
331T25.3Very low25.9Very low145 Ų145148.3 Ų148.389%0.8980%0.8SS**  trans-155.1128.6138.7-29.70000110.6
332L26.6Very low25.7Very low146 Ų146147 Ų14776%0.76480%0.796SS**  trans-71.7151.8175.9-17381.7000111.9
333T24.4Very low25.8Very low129 Ų129148.7 Ų148.779%0.79180%0.803SS**  trans168101.4134.6-56.60000108.3
334N23.3Very low25.9Very low126 Ų126148.7 Ų148.767%0.67480%0.803SS**  81.4126.384.4-108.7-5.9000117.6
335I27.6Very low25.8Very low152 Ų152142 Ų14278%0.77980%0.798SS**  trans81.6137.4150.3-52.2165000116.1
336S25Very low25.9Very low101 Ų101140.3 Ų140.371%0.70680%0.802SS**  cis-166.2154.45.840.50000112.3
337A24.4Very low25.9Very low94 Ų94142.8 Ų142.878%0.77781%0.806SS**  trans41.1129.2138.100000122.3
338L25.4Very low26Very low158 Ų158144.5 Ų144.583%0.82781%0.811SS**  174.9144.3100-169.562.9000111.6
339E24Very low25.9Very low148 Ų148142.3 Ų142.369%0.69280%0.803SS**  trans-61.5153.8179.2-52.7160.8137.900115.1
340N27.5Very low25.9Very low127 Ų127140.3 Ų140.368%0.67980%0.802SS**  153.3128.5103.3-94.7-42.9000114.6
341C24.5Very low25.9Very low124 Ų124135 Ų13584%0.83880%0.798SS**  trans44134.6132.1-59.30000122.6
342G24.3Very low25.8Very low76 Ų76135.9 Ų135.978%0.78480%0.797SS**  trans157.589.5146.300000116
343S30.1Very low25.8Very low123 Ų123134.7 Ų134.786%0.8680%0.796SS**  trans-80.2161.7155.1-44.50000110
344P30.5Very low25.8Very low129 Ų129133.1 Ų133.184%0.83879%0.79SS**  trans-135.5151.713633.3-19.2000114.2
345A25.1Very low25.9Very low95 Ų95135.9 Ų135.979%0.78580%0.799SS**  trans-104.6150.6178.600000112.4
346M28.1Very low25.8Very low188 Ų188135 Ų13593%0.92680%0.8SS**  trans51.3131.4146.2-103.3-16517600122.5
347K26.8Very low25.7Very low210 Ų210135.5 Ų135.591%0.91380%0.804SS**  trans-158.4136.9130.7-106.8171.1-172.4-179.20113.2
348R25.9Very low25.8Very low243 Ų243139.2 Ų139.292%0.91781%0.805SS**  trans-32169.7166.5-74174.6-178.5171.1-1117.3
349A25.2Very low25.7Very low78 Ų78138.6 Ų138.665%0.64580%0.802SS**  cis179.5176-12.900000107.1
350N24.8Very low25.8Very low167 Ų167136.2 Ų136.289%0.89380%0.802SS**  trans87.3124.6177.6-57.5-7000113.8
351G25.1Very low25.7Very low75 Ų75136 Ų13677%0.77381%0.805SS**  cis110.993.215.400000109.3
352D23.1Very low25.8Very low164 Ų164135.1 Ų135.188%0.87780%0.8SS**  trans-167.2156.9139.6-136-16.4000113.4
353V26.7Very low25.9Very low121 Ų121138.6 Ų138.673%0.73380%0.801SS**  trans-77.2148-173.7176.60000111.7
354S24.7Very low25.7Very low97 Ų97138.6 Ų138.668%0.67880%0.796SS**  157.5133.9125.6-80.90000115.2
355E24.8Very low25.6Very low184 Ų184141.6 Ų141.686%0.8680%0.799SS**  trans77102.1138.2-69.8179.4160.900121.3
356V26.3Very low25.6Very low133 Ų133145.7 Ų145.781%0.80680%0.802SS**  trans-43.7131.7143172.50000110.8E358V356-E358 HydrophobicContact CG1-CG 4.46Å
357S23.5Very low25.6Very low111 Ų111143 Ų14378%0.77680%0.796SS**  trans-127.6107.6159.1-1610000108.4
358E24.9Very low25.7Very low172 Ų172138.8 Ų138.880%0.80479%0.79SS**  trans-64.3133.3158-66.5179.2149.300108V356V356-E358 HydrophobicContact CG1-CG 4.46Å
359N24.2Very low25.7Very low145 Ų145130.1 Ų130.178%0.77578%0.776SS**  trans-138.6100.4157.3-126.39.3000111.4
360S25.3Very low25.8Very low98 Ų98132.3 Ų132.369%0.68579%0.787SS**  trans32.9117.4131.355.90000119.2
361V26.6Very low25.9Very low122 Ų122131.3 Ų131.374%0.73978%0.781SS**  trans-47.5126.5159.4176.70000111.8
362S25.7Very low26Very low106 Ų106133.3 Ų133.374%0.74178%0.782SS**  trans-120.7105.7154610000108.6T364S362-T364 PolarHBondContact O-N 3.14Å
363N25.9Very low26.5Very low149 Ų149133.1 Ų133.180%0.79778%0.78SS**  trans-69122167.2-67.7-45.6000108.3
364T27Very low27.1Very low124 Ų124133.9 Ų133.976%0.76177%0.77SS**  trans-131112.7158.5-4.20000106.2S362 E366S362-T364 PolarHBondContact O-N 3.14Å; T364-E366 PolarHBondContact O-N 3.23Å
365E28.5Very low27.6Very low192 Ų192137.2 Ų137.290%0.89777%0.772SS**  trans-61111.4172-67.5-175.7148.200108.6
366E25.6Very low28.4Very low181 Ų181132.2 Ų132.285%0.84675%0.747SS**  trans-104.1109.2161.2-76.8-167.8166.300108.5T364T364-E366 PolarHBondContact O-N 3.23Å
367V28.2Very low28.9Very low131 Ų131128 Ų12879%0.79472%0.724SS**  trans-51.9125.2168.3174.50000109G369V367-G369 PolarHBondContact O-N 3.44Å; V367-G369 VanDerWaalsContact O-N 3.09Å
368P29Very low29.4Very low121 Ų121126.1 Ų126.179%0.78671%0.71SS**  trans-70.1113.2172.8-13.728.3000108.8S370P368-S370 PolarHBondContact O-N 3.32Å
369G25.2Very low30.1Very low62 Ų62122.1 Ų122.164%0.63969%0.692SS**  trans-52.7134166.700000110.4V367 L371V367-G369 PolarHBondContact O-N 3.44Å; V367-G369 VanDerWaalsContact O-N 3.09Å; G369-L371 PolarHBondContact O-N 3.44Å
370S27.1Very low30.5Very low123 Ų123120.6 Ų120.686%0.8668%0.679SS**  trans-48.8100.1176.4165.70000112.2P368 C372P368-S370 PolarHBondContact O-N 3.32Å; S370-C372 PolarHBondContact O-N 2.79Å
371L25.8Very low31.1Very low146 Ų146118 Ų11876%0.76466%0.655SS**  trans-66.8116.4162.1-88.7138.2000108.4G369 L373G369-L371 PolarHBondContact O-N 3.44Å; L371-L373 PolarHBondContact O-N 3.32Å
372C27.5Very low31.3Very low118 Ų118114.9 Ų114.980%0.79765%0.647SS**  trans-62.499.7173.2-169.30000108.3S370 R374S370-C372 PolarHBondContact O-N 2.79Å; C372-R374 PolarHBondContact O-N 2.87Å
373L33.3Very low31.6Very low160 Ų160112.5 Ų112.584%0.83863%0.634SS**  trans-63.699.2176.6-71.5166.2000108.8L371 K375L371-L373 PolarHBondContact O-N 3.32Å; L373-K375 PolarHBondContact O-N 2.79Å
374R40.9Very low31.9Very low137 Ų137110.2 Ų110.252%0.51763%0.626SS.*  trans-60.5128.8162-81.3-174.1177.2-178.5-0.3107.7E196 C372 F376E196-R374 IonicContact OE2-NH2 2.78Å; E196-R374 PolarHBondContact OE2-NH2 2.84Å; C372-R374 PolarHBondContact O-N 2.87Å; R374-F376 PolarHBondContact O-N 3.02Å
375K35.3Very low32Very low166 Ų166107.9 Ų107.972%0.72261%0.614SS**  trans-79.195.2-166.8-150.9173.1-175.1178.60108.5L373 S377L373-K375 PolarHBondContact O-N 2.79Å; K375-S377 PolarHBondContact O-N 2.84Å; K375-S377 VanDerWaalsContact O-N 3.16Å
376F41.4Very low32Very low80 Ų80103.3 Ų103.335%0.35160%0.604SS.*BIsolated β-bridgetrans-54.3123.4161.5-74.7-84.6000107.4E178 L276 R374 C378E178-F376 WeakPolarHBondContact OE1-CZ 3.45Å; L276-F376 HydrophobicContact CD2-CD1 3.57Å; L276-F376 HydrophobicContact CD2-CD2 4.34Å; L276-F376 HydrophobicContact CD2-CE1 3.42Å; L276-F376 VanDerWaalsContact CD2-CE1 3.42Å; L276-F376 HydrophobicContact CD2-CE2 4.21Å; L276-F376 HydrophobicContact CD2-CG 4.03Å; L276-F376 HydrophobicContact CD2-CZ 3.76Å; L276-F376 HydrophobicContact CG-CD1 4.49Å; L276-F376 HydrophobicContact CG-CE1 4.14Å; R374-F376 PolarHBondContact O-N 3.02Å; F376-C378 PolarHBondContact O-N 2.72Å
377S37.1Very low32.4Very low44 Ų44100.7 Ų100.731%0.30860%0.595SS.*  trans-74.986174.4-175.40000107.7G255 K375 M379G255-S377 PolarHBondContact O-OG 3.41Å; K375-S377 PolarHBondContact O-N 2.84Å; K375-S377 VanDerWaalsContact O-N 3.16Å; S377-M379 VanDerWaalsContact C-N 3.32Å; S377-M379 PolarHBondContact O-N 2.81Å
378C32.8Very low32.5Very low72 Ų72103 Ų10349%0.48660%0.597SS.*  trans-72.990.6168.447.30000107.9F376 F380F376-C378 PolarHBondContact O-N 2.72Å; C378-F380 PolarHBondContact O-N 2.88Å
379M38.9Very low32.3Very low88 Ų88106.7 Ų106.743%0.43360%0.604SS.*  trans-68.1119.9164.1-66.8-132.8-54.900107.7K256 S377 F381K256-M379 HydrophobicContact CD-CE 3.7Å; K256-M379 HydrophobicContact CD-SD 4.4Å; S377-M379 VanDerWaalsContact C-N 3.32Å; S377-M379 PolarHBondContact O-N 2.81Å; M379-F381 PolarHBondContact O-N 3.22Å
380F33Very low32.5Very low113 Ų113111.3 Ų111.350%0.49661%0.609SS.*  trans-50.3105.4172.5-71.6-78.7000109.8C378 G382 F425 I427C378-F380 PolarHBondContact O-N 2.88Å; F380-G382 PolarHBondContact O-N 2.85Å; F380-F425 VanDerWaalsContact CB-O 3.23Å; F380-F425 WeakPolarHBondContact CB-O 3.3Å; F380-F425 WeakPolarHBondContact CG-O 3.29Å; F380-I427 HydrophobicContact CB-CD1 3.86Å; F380-I427 HydrophobicContact CB-CG1 3.9Å; F380-I427 HydrophobicContact CD1-CB 3.74Å; F380-I427 HydrophobicContact CD1-CD1 3.78Å; F380-I427 HydrophobicContact CD1-CG1 3.68Å; F380-I427 VanDerWaalsContact CD1-N 3.3Å; F380-I427 HydrophobicContact CE1-CB 4.35Å; F380-I427 HydrophobicContact CG-CD1 4.32Å; F380-I427 HydrophobicContact CG-CG1 4.24Å
381F38.8Very low32.5Very low44 Ų44113.6 Ų113.619%0.19361%0.606CS.*  trans-58.6131.4170.6-66.2-74.5000109.8V147 I272 M379 A383 I427V147-F381 HydrophobicContact CB-CD1 4.45Å; V147-F381 HydrophobicContact CG1-CB 4.32Å; V147-F381 HydrophobicContact CG1-CD1 3.23Å; V147-F381 HydrophobicContact CG1-CE1 3.6Å; V147-F381 HydrophobicContact CG1-CG 3.86Å; V147-F381 HydrophobicContact CG1-CZ 4.47Å; V147-F381 HydrophobicContact CG2-CB 4.46Å; V147-F381 HydrophobicContact CG2-CD1 4.4Å; V147-F381 HydrophobicContact CG2-CG 4.23Å; I272-F381 HydrophobicContact CG2-CE1 3.79Å; I272-F381 HydrophobicContact CG2-CZ 3.99Å; M379-F381 PolarHBondContact O-N 3.22Å; F381-A383 VanDerWaalsContact C-N 3.27Å; F381-A383 PolarHBondContact O-N 3.33Å; F381-I427 WeakPolarHBondContact O-CD1 3.49Å; F381-I427 WeakPolarHBondContact O-CG1 3.32Å
382G30.9Very low32.5Very low55 Ų55116.2 Ų116.257%0.56761%0.611SS**  trans-61.592.1166.400000109.6F380 V384F380-G382 PolarHBondContact O-N 2.85Å; G382-V384 PolarHBondContact O-N 2.75Å
383A30.8Very low32.4Very low56 Ų56117.6 Ų117.646%0.46361%0.611SS.*  trans-81.7101.9170.600000107F381 S385F381-A383 VanDerWaalsContact C-N 3.27Å; F381-A383 PolarHBondContact O-N 3.33Å; A383-S385 PolarHBondContact O-N 3.09Å
384V32.5Very low32Very low102 Ų102118.9 Ų118.962%0.61861%0.612SS**  trans-82.9108.9172.6-172.80000107.2I148 G382I148-V384 HydrophobicContact CD1-CG2 4.41Å; G382-V384 PolarHBondContact O-N 2.75Å
385S29.6Very low31.6Very low75 Ų75117.8 Ų117.852%0.52462%0.623SS.*  trans-70.6133.7154.8-174.70000106.7A383 D387A383-S385 PolarHBondContact O-N 3.09Å; S385-D387 VanDerWaalsContact C-N 3.25Å; S385-D387 PolarHBondContact O-N 3.2Å
386S29Very low31.2Very low96 Ų96119.7 Ų119.767%0.67163%0.632SS**SBendtrans-68.384.4179.559.30000110.2
387D32.8Very low30.5Very low126 Ų126123.8 Ų123.867%0.67466%0.657SS**  trans-141.7123.9154.9-86.5-38.3000108.1S385S385-D387 VanDerWaalsContact C-N 3.25Å; S385-D387 PolarHBondContact O-N 3.2Å
388Q30.2Very low30Very low179 Ų179126.6 Ų126.684%0.83668%0.677SS**  trans75.588.3176.5-53.9-170.32.800117
389Q26Very low29.8Very low198 Ų198131.4 Ų131.493%0.92570%0.697SS**  trans-117.894.6142.6-166.1153.513.800107.5
390E28Very low29.2Very low160 Ų160131.8 Ų131.875%0.74871%0.714SS**  trans-65.4146.4172.4-77.8-172.3153.800111F392E390-F392 PolarHBondContact O-N 3.12Å
391H27.8Very low28.9Very low171 Ų171138.1 Ų138.179%0.79273%0.734SS**  trans-52124.8-177-76.8-98.3000113.8
392F25.5Very low28.3Very low200 Ų200140.3 Ų140.388%0.87776%0.761SS**  trans-130.497.6147.7-84.7-80.8000109.1E390E390-F392 PolarHBondContact O-N 3.12Å
393N25.6Very low28.1Very low147 Ų147143.4 Ų143.479%0.78677%0.773SS**  trans-134.2107.4159.6-83-44.9000107.1
394H26Very low27.9Very low187 Ų187148 Ų14887%0.86679%0.79SS**  trans-128.6120.9154-86.8-60.3000107.9
395P30.9Very low27.8Very low115 Ų115149 Ų14975%0.74780%0.801SS**  trans-85.3146.7152.923.6-9.4000109.6
396F28.1Very low27.8Very low206 Ų206153.2 Ų153.290%0.90481%0.813SS**  trans-48134.5171.5-77.3-98.6000112.1
397D27Very low27.9Very low166 Ų166156.3 Ų156.389%0.88882%0.817SS**  trans-151.3137.9132.7-119.8-22.8000112.5
398S26.7Very low27.6Very low102 Ų102158.2 Ų158.271%0.71383%0.827SS**  trans-63.6144.5180-176.10000111.3
399L29Very low27.5Very low174 Ų174156.8 Ų156.891%0.91182%0.822SS**  trans-174.5129.1133.7-96.1165.5000110.6
400A26.3Very low27.6Very low95 Ų95153.3 Ų153.379%0.78581%0.81SS**  trans-65.9145.2-178.300000113.4
401R26.3Very low27.5Very low247 Ų247152.8 Ų152.893%0.93281%0.812SS**  trans-156.3120.5140.9-157.8168.8160.4118.1-2.6110.8
402A25.5Very low27.3Very low90 Ų90150.9 Ų150.974%0.74481%0.812SS**  trans-65.1145173.500000111.7
403S27.1Very low27.3Very low119 Ų119147.4 Ų147.483%0.83281%0.811SS**  trans-162.5128.4140.3-160.50000109.6
404D26.6Very low27.3Very low153 Ų153150.7 Ų150.782%0.81881%0.813SS**  trans-65.1145.8-179.1-57.4-53.4000113.3
405S30.4Very low27.2Very low122 Ų122150.6 Ų150.685%0.85381%0.81SS**  trans-163.6127.813259.10000110.2
406E29.7Very low26.9Very low165 Ų165153.2 Ų153.277%0.77181%0.812SS**  trans-69.3159.8-170.5-71.5176.4156.400115.7
407E29.8Very low26.8Very low160 Ų160152.1 Ų152.175%0.74881%0.807SS**  trans61117.2144.1-70.1172.9-171.200121.1
408D27.9Very low26.7Very low166 Ų166152.1 Ų152.189%0.88881%0.807SS**  -170.5149.798.3-113-31.5000114.6
409M28.5Very low26.6Very low150 Ų150149.9 Ų149.974%0.73980%0.8SS**  trans-89.7152.4-172.6-103-82.1-17000113.8
410N26.4Very low26.9Very low125 Ų125147.4 Ų147.467%0.66880%0.798SS**  trans67111.6151.8-63.4-35.7000120.4
411N26.2Very low26.8Very low149 Ų149149.5 Ų149.580%0.79780%0.795SS**  175.7125.898.8-97.2-33.8000113.9
412V24.9Very low26.8Very low131 Ų131141.4 Ų141.479%0.79478%0.782SS**  trans17.2116.9139.1-172.60000118.1
413C24.7Very low26.8Very low127 Ų127144.7 Ų144.786%0.85878%0.779SS**  -151.7109.2129.5-146.10000111.6K415C413-K415 PolarHBondContact O-N 3.23Å
414R24.7Very low26.7Very low216 Ų216149.6 Ų149.682%0.81578%0.781SS**  trans-49.7131.2161.3-92.2172.9160.4151.3-6.7110.1
415K25.4Very low26.5Very low185 Ų185149.7 Ų149.780%0.80477%0.774SS**  trans-143.199.7143.1-97.5-177.7-179.1175.20108.5C413C413-K415 PolarHBondContact O-N 3.23Å
416E24.5Very low26.1Very low170 Ų170148.6 Ų148.679%0.79477%0.766SS**  trans-60.4128.1155.9-73169.6154.100108
417F24.1Very low26Very low183 Ų183143.2 Ų143.280%0.80374%0.742SS**  trans-125.494.7156.8-106-87.3000107.2G419F417-G419 PolarHBondContact O-N 3.24Å
418N26Very low26Very low166 Ų166145.7 Ų145.789%0.88876%0.758SS**  trans-64.4116.6152.1-84.9-24.1000107
419G24.8Very low25.9Very low54 Ų54144.7 Ų144.756%0.55775%0.751SS**  trans-149.889.1178.300000109.1F417 D421F417-G419 PolarHBondContact O-N 3.24Å; G419-D421 PolarHBondContact O-N 3.16Å
420S34.3Very low25.8Very low123 Ų123144.4 Ų144.486%0.8675%0.752SS**  trans-6392.4167.148.30000110A422S420-A422 PolarHBondContact O-N 3.37Å
421D25.3Very low25.8Very low138 Ų138145.5 Ų145.574%0.73876%0.757SS**  trans-96.786.8173.6-83.1-11.4000110.6G419 K423G419-D421 PolarHBondContact O-N 3.16Å; D421-K423 PolarHBondContact O-N 3.18Å; D421-K423 VanDerWaalsContact O-N 3.08Å
422A26.4Very low25.7Very low78 Ų78145.3 Ų145.365%0.64575%0.754SS**  trans-64.897.5155.500000108.1S420 Y424S420-A422 PolarHBondContact O-N 3.37Å; A422-Y424 HydrophobicContact CB-CD2 4.44Å; A422-Y424 HydrophobicContact CB-CE2 4.14Å; A422-Y424 PolarHBondContact O-N 3.48Å
423K24.7Very low25.8Very low158 Ų158146.2 Ų146.269%0.68775%0.752SS**  trans-75.294.8172-69.7-171-177177.80109.7D421 F425D421-K423 PolarHBondContact O-N 3.18Å; D421-K423 VanDerWaalsContact O-N 3.08Å; K423-F425 HydrophobicContact CB-CD2 3.88Å; K423-F425 HydrophobicContact CB-CE2 3.74Å; K423-F425 HydrophobicContact CD-CE2 3.64Å; K423-F425 HydrophobicContact CD-CZ 4.2Å; K423-F425 HydrophobicContact CG-CE2 4.24Å; K423-F425 PolarHBondContact O-N 3.19Å
424Y25.2Very low25.9Very low222 Ų222147.5 Ų147.587%0.87175%0.745SS**  trans-68.8104.2157.5-70.8-90000108A422A422-Y424 HydrophobicContact CB-CD2 4.44Å; A422-Y424 HydrophobicContact CB-CE2 4.14Å; A422-Y424 PolarHBondContact O-N 3.48Å
425F23.7Very low25.9Very low155 Ų155142.6 Ų142.668%0.6874%0.74SS**PPolyproline II helixtrans-92.5119.9167.9-86.1-81.6000109.7F380 K423F380-F425 VanDerWaalsContact CB-O 3.23Å; F380-F425 WeakPolarHBondContact CB-O 3.3Å; F380-F425 WeakPolarHBondContact CG-O 3.29Å; K423-F425 HydrophobicContact CB-CD2 3.88Å; K423-F425 HydrophobicContact CB-CE2 3.74Å; K423-F425 HydrophobicContact CD-CE2 3.64Å; K423-F425 HydrophobicContact CD-CZ 4.2Å; K423-F425 HydrophobicContact CG-CE2 4.24Å; K423-F425 PolarHBondContact O-N 3.19Å
426C21.6Very low26Very low100 Ų100139.3 Ų139.368%0.67674%0.735SS**PPolyproline II helixtrans-96.5138.6174.1-161.10000108.3
427I26.6Very low26.1Very low52 Ų52136.8 Ų136.827%0.26773%0.73SS.*PPolyproline II helixtrans-97.4125.7171.4-57.9162.4000107.7F380 F381F380-I427 HydrophobicContact CB-CD1 3.86Å; F380-I427 HydrophobicContact CB-CG1 3.9Å; F380-I427 HydrophobicContact CD1-CB 3.74Å; F380-I427 HydrophobicContact CD1-CD1 3.78Å; F380-I427 HydrophobicContact CD1-CG1 3.68Å; F380-I427 VanDerWaalsContact CD1-N 3.3Å; F380-I427 HydrophobicContact CE1-CB 4.35Å; F380-I427 HydrophobicContact CG-CD1 4.32Å; F380-I427 HydrophobicContact CG-CG1 4.24Å; F381-I427 WeakPolarHBondContact O-CD1 3.49Å; F381-I427 WeakPolarHBondContact O-CG1 3.32Å
428I30.6Very low26.3Very low212 Ų212132.5 Ų132.5100%1.08772%0.723SS**  trans-92.70156.4-57.9178.9000107.1

Retrieved 428 of 428 residues in 114.3 ms (Link to these results)

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