A0A096MA32_POEFO Loading...

Caspase 9, apoptosis-related cysteine peptidase

AlphaFold DB , UniProt , Accession A0A096MA32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 439 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
1M89.9Confident87.4Confident34 Ų3478.3 Ų78.317%0.16735%0.35CS..  0155.10-173.8-174-74.300109.4H5 K6 L9 L60 E61 R63 A67 F68M1-H5 HydrophobicContact CG-CB 3.74Å; M1-H5 HydrophobicContact SD-CB 3.64Å; M1-K6 HydrophobicContact CB-CG 4.21Å; M1-K6 HydrophobicContact CG-CG 4.37Å; M1-K6 WeakPolarHBondContact O-CE 3.42Å; M1-K6 HydrophobicContact SD-CG 4.07Å; M1-L9 HydrophobicContact CE-CD1 3.6Å; M1-L9 HydrophobicContact SD-CD1 3.68Å; M1-L60 HydrophobicContact CE-CD2 4.28Å; M1-L60 HydrophobicContact CE-CG 3.78Å; M1-L60 WeakPolarHBondContact CE-O 3.48Å; M1-E61 WeakPolarHBondContact CB-O 3.39Å; M1-R63 PolarHBondContact N-O 3.29Å; M1-A67 HydrophobicContact CE-CB 4.31Å; M1-F68 HydrophobicContact CE-CB 4Å; M1-F68 HydrophobicContact CG-CB 4.32Å; M1-F68 HydrophobicContact SD-CB 4.08Å; M1-F68 HydrophobicContact SD-CD2 4.41Å
2E88.1Confident87.3Confident82 Ų8274 Ų7438%0.38333%0.333SS..  trans-66.7148.4172.3-67.1174.3-161.800112.5Q4 H5 K6 N65E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 HydrophobicContact CB-CG 4.21Å; E2-Q4 PolarHBondContact O-N 3.48Å; E2-Q4 PolarHBondContact OE2-NE2 3.36Å; E2-H5 PolarHBondContact O-N 3.01Å; E2-H5 VanDerWaalsContact O-N 3.1Å; E2-H5 IonicContact OE2-CE1 2.73Å; E2-H5 PolarHBondContact OE2-CE1 2.91Å; E2-H5 IonicContact OE2-ND1 3.43Å; E2-K6 PolarHBondContact O-N 3.21Å; E2-K6 VanDerWaalsContact O-N 3.15Å; E2-N65 HydrophobicContact CG-CB 4.46Å
3E83.1Confident87.4Confident100 Ų10075.2 Ų75.247%0.46733%0.333SS..Hα-helixtrans-66.5-31.5-171.9-161.556.7-151.500113.5K6 K7E3-K6 IonicContact OE2-NZ 2.79Å; E3-K6 PolarHBondContact OE2-NZ 3.38Å; E3-K7 WeakPolarHBondContact O-CG 3.48Å; E3-K7 PolarHBondContact O-N 2.77Å; E3-K7 VanDerWaalsContact O-N 3.13Å
4Q85.9Confident86.9Confident121 Ų12180.1 Ų80.157%0.56536%0.362SS*.Hα-helixtrans-62.8-40.4172.858.1-177.8-10.700112.4E2 K7 I8E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 HydrophobicContact CB-CG 4.21Å; E2-Q4 PolarHBondContact O-N 3.48Å; E2-Q4 PolarHBondContact OE2-NE2 3.36Å; Q4-K7 PolarHBondContact O-N 3.23Å; Q4-I8 WeakPolarHBondContact O-CG1 3.29Å; Q4-I8 PolarHBondContact O-N 3.42Å
5H90.1Very high86.8Confident34 Ų3478.5 Ų78.516%0.15736%0.358CS..Hα-helixtrans-72.3-38.5-179.8-62.8144.6000111.9M1 E2 K7 I8 L9 F68M1-H5 HydrophobicContact CG-CB 3.74Å; M1-H5 HydrophobicContact SD-CB 3.64Å; E2-H5 PolarHBondContact O-N 3.01Å; E2-H5 VanDerWaalsContact O-N 3.1Å; E2-H5 IonicContact OE2-CE1 2.73Å; E2-H5 PolarHBondContact OE2-CE1 2.91Å; E2-H5 IonicContact OE2-ND1 3.43Å; H5-K7 PolarHBondContact O-N 3.25Å; H5-I8 PolarHBondContact O-N 2.92Å; H5-L9 PolarHBondContact O-N 3.01Å; H5-F68 HydrophobicContact CB-CB 3.77Å; H5-F68 HydrophobicContact CB-CD1 3.83Å; H5-F68 HydrophobicContact CB-CD2 3.88Å; H5-F68 HydrophobicContact CB-CE1 4.37Å; H5-F68 HydrophobicContact CB-CE2 4.43Å; H5-F68 HydrophobicContact CB-CG 3.56Å; H5-F68 AromaticContact CD2-CD1 3.2Å; H5-F68 WeakPolarHBondContact CD2-CD1 3.34Å; H5-F68 AromaticContact CD2-CE1 3.42Å; H5-F68 VanDerWaalsContact CD2-CE1 3.42Å; H5-F68 WeakPolarHBondContact CD2-CE1 3.31Å; H5-F68 AromaticContact CD2-CG 3.9Å; H5-F68 AromaticContact CG-CD1 3.38Å; H5-F68 AromaticContact CG-CE1 3.99Å; H5-F68 AromaticContact CG-CG 3.6Å; H5-F68 AromaticContact ND1-CD1 3.95Å; H5-F68 AromaticContact NE2-CD1 3.72Å
6K87.7Confident86.9Confident53 Ų5373.8 Ų73.823%0.2334%0.336CS..Hα-helixtrans-58.5-47.3171.6-62.8-173.5-160.3154.10111.7M1 E2 E3 I8 L9 Q10 E61M1-K6 HydrophobicContact CB-CG 4.21Å; M1-K6 HydrophobicContact CG-CG 4.37Å; M1-K6 WeakPolarHBondContact O-CE 3.42Å; M1-K6 HydrophobicContact SD-CG 4.07Å; E2-K6 PolarHBondContact O-N 3.21Å; E2-K6 VanDerWaalsContact O-N 3.15Å; E3-K6 IonicContact OE2-NZ 2.79Å; E3-K6 PolarHBondContact OE2-NZ 3.38Å; K6-I8 VanDerWaalsContact C-N 3.25Å; K6-I8 PolarHBondContact O-N 2.99Å; K6-L9 PolarHBondContact O-N 3.22Å; K6-L9 VanDerWaalsContact O-N 3.1Å; K6-Q10 WeakPolarHBondContact O-CB 3.42Å; K6-Q10 VanDerWaalsContact O-CG 3.28Å; K6-Q10 WeakPolarHBondContact O-CG 3.19Å; K6-Q10 PolarHBondContact O-N 2.75Å; K6-E61 HydrophobicContact CG-CB 4.39Å; K6-E61 HydrophobicContact CG-CG 4.33Å
7K86.5Confident87Confident129 Ų12970.2 Ų70.256%0.56132%0.321SS*.Hα-helixtrans-59.6-34.4177.7-73.1178.5180-175.50112.9E3 Q4 H5 R11E3-K7 WeakPolarHBondContact O-CG 3.48Å; E3-K7 PolarHBondContact O-N 2.77Å; E3-K7 VanDerWaalsContact O-N 3.13Å; Q4-K7 PolarHBondContact O-N 3.23Å; H5-K7 PolarHBondContact O-N 3.25Å; K7-R11 WeakPolarHBondContact O-CB 3.34Å; K7-R11 PolarHBondContact O-N 3.22Å
8I87.1Confident86.7Confident51 Ų5170.2 Ų70.226%0.26233%0.327SS..Hα-helixtrans-67.2-45.1174.2-68.1164000111.1Q4 H5 K6 N12 F68 L87Q4-I8 WeakPolarHBondContact O-CG1 3.29Å; Q4-I8 PolarHBondContact O-N 3.42Å; H5-I8 PolarHBondContact O-N 2.92Å; K6-I8 VanDerWaalsContact C-N 3.25Å; K6-I8 PolarHBondContact O-N 2.99Å; I8-N12 WeakPolarHBondContact O-CB 3.49Å; I8-N12 PolarHBondContact O-N 3Å; I8-N12 PolarHBondContact O-ND2 3.19Å; I8-F68 HydrophobicContact CB-CE2 4.44Å; I8-F68 HydrophobicContact CB-CZ 4.25Å; I8-F68 HydrophobicContact CD1-CZ 4.27Å; I8-F68 HydrophobicContact CG2-CE2 4.13Å; I8-F68 HydrophobicContact CG2-CZ 3.81Å; I8-L87 HydrophobicContact CG2-CB 4.15Å; I8-L87 HydrophobicContact CG2-CD2 3.88Å; I8-L87 VanDerWaalsContact CG2-O 3.23Å; I8-L87 WeakPolarHBondContact CG2-O 3.43Å
9L88.9Confident86.7Confident0 Ų071.1 Ų71.10%034%0.338CS..Hα-helixtrans-63.5-50.1176.6-68.4175.4000111.7M1 H5 K6 R11 N12 R13 L16 V57 L60 E61 F68 F71 L87M1-L9 HydrophobicContact CE-CD1 3.6Å; M1-L9 HydrophobicContact SD-CD1 3.68Å; H5-L9 PolarHBondContact O-N 3.01Å; K6-L9 PolarHBondContact O-N 3.22Å; K6-L9 VanDerWaalsContact O-N 3.1Å; L9-R11 PolarHBondContact O-N 3.35Å; L9-N12 CarbonylContact O-C 3.53Å; L9-N12 PolarHBondContact O-N 2.99Å; L9-N12 VanDerWaalsContact O-N 3.15Å; L9-R13 WeakPolarHBondContact O-CA 3.42Å; L9-R13 PolarHBondContact O-N 3.26Å; L9-L16 HydrophobicContact CD2-CD1 3.94Å; L9-V57 HydrophobicContact CB-CG1 4.32Å; L9-L60 HydrophobicContact CD1-CD2 3.88Å; L9-L60 HydrophobicContact CD1-CG 4.4Å; L9-L60 HydrophobicContact CD2-CD2 4.26Å; L9-E61 HydrophobicContact CD1-CG 3.94Å; L9-F68 HydrophobicContact CD1-CD2 4.21Å; L9-F68 HydrophobicContact CD2-CD2 4.13Å; L9-F68 HydrophobicContact CD2-CE2 3.89Å; L9-F68 HydrophobicContact CG-CD2 4.03Å; L9-F68 HydrophobicContact CG-CE2 3.97Å; L9-F71 HydrophobicContact CD2-CD1 4.41Å; L9-F71 HydrophobicContact CD2-CE1 4.03Å; L9-L87 HydrophobicContact CD2-CD2 4.43Å
10Q87.4Confident87Confident94 Ų9467.6 Ų67.644%0.43932%0.321SS..Hα-helixtrans-59.3-45.8-179.3-69.1170.11.200111.8K6 N12 R13 E61K6-Q10 WeakPolarHBondContact O-CB 3.42Å; K6-Q10 VanDerWaalsContact O-CG 3.28Å; K6-Q10 WeakPolarHBondContact O-CG 3.19Å; K6-Q10 PolarHBondContact O-N 2.75Å; Q10-N12 VanDerWaalsContact C-N 3.3Å; Q10-N12 PolarHBondContact O-N 2.79Å; Q10-R13 VanDerWaalsContact O-CB 3.27Å; Q10-R13 WeakPolarHBondContact O-CB 3.33Å; Q10-R13 PolarHBondContact O-N 3.47Å; Q10-E61 VanDerWaalsContact CG-OE1 3.25Å; Q10-E61 WeakPolarHBondContact CG-OE1 3.3Å; Q10-E61 PolarHBondContact NE2-OE2 3.19Å
11R86.4Confident87.2Confident163 Ų16366.9 Ų66.962%0.61532%0.32SS*.Hα-helixtrans-61.3-35.8176.6179.8178179162.43.3113.2K7 L9K7-R11 WeakPolarHBondContact O-CB 3.34Å; K7-R11 PolarHBondContact O-N 3.22Å; L9-R11 PolarHBondContact O-N 3.35Å
12N86.6Confident87.2Confident27 Ų2765.3 Ų65.314%0.14431%0.312CS..Hα-helixtrans-97.94.5-177.6-68.3-69.1000113.3I8 L9 Q10 I14 N15 L16 T86 L87I8-N12 WeakPolarHBondContact O-CB 3.49Å; I8-N12 PolarHBondContact O-N 3Å; I8-N12 PolarHBondContact O-ND2 3.19Å; L9-N12 CarbonylContact O-C 3.53Å; L9-N12 PolarHBondContact O-N 2.99Å; L9-N12 VanDerWaalsContact O-N 3.15Å; Q10-N12 VanDerWaalsContact C-N 3.3Å; Q10-N12 PolarHBondContact O-N 2.79Å; N12-I14 VanDerWaalsContact C-N 3.28Å; N12-I14 PolarHBondContact O-N 3Å; N12-N15 PolarHBondContact O-N 3.19Å; N12-L16 PolarHBondContact O-N 3.07Å; N12-T86 WeakPolarHBondContact OD1-CG2 3.2Å; N12-L87 HydrophobicContact CB-CD2 3.72Å
13R88.1Confident87.3Confident90 Ų9066.8 Ų66.834%0.3432%0.322SS..Hα-helixtrans-55-39.6-171.4-169.9175-178.7-152-2.9113.2L9 Q10 L16 V17 V57L9-R13 WeakPolarHBondContact O-CA 3.42Å; L9-R13 PolarHBondContact O-N 3.26Å; Q10-R13 VanDerWaalsContact O-CB 3.27Å; Q10-R13 WeakPolarHBondContact O-CB 3.33Å; Q10-R13 PolarHBondContact O-N 3.47Å; R13-L16 PolarHBondContact O-N 3.48Å; R13-V17 HydrophobicContact CG-CG2 4.43Å; R13-V17 WeakPolarHBondContact O-CB 3.44Å; R13-V17 VanDerWaalsContact O-CG2 3.3Å; R13-V17 WeakPolarHBondContact O-CG2 3.49Å; R13-V17 PolarHBondContact O-N 3.47Å; R13-V57 HydrophobicContact CG-CG1 4.48Å
14I80.6Confident87.8Confident143 Ų14365.1 Ų65.173%0.73332%0.318SS*.Hα-helixtrans-62.7-44.9177.1-59.7174.9000111N12 T18N12-I14 VanDerWaalsContact C-N 3.28Å; N12-I14 PolarHBondContact O-N 3Å; I14-T18 VanDerWaalsContact O-CB 3.23Å; I14-T18 WeakPolarHBondContact O-CB 2.98Å; I14-T18 PolarHBondContact O-N 3.41Å; I14-T18 PolarHBondContact O-OG1 2.79Å
15N85.8Confident88.1Confident57 Ų5759.4 Ų59.431%0.30529%0.291SS..Hα-helixtrans-68.2-46.7179.1-167.81.5000110.8N12 V17 T18 V19 T86N12-N15 PolarHBondContact O-N 3.19Å; N15-V17 PolarHBondContact O-N 3.49Å; N15-T18 PolarHBondContact O-N 3.46Å; N15-T18 VanDerWaalsContact O-N 3.16Å; N15-V19 WeakPolarHBondContact O-CB 3.3Å; N15-V19 PolarHBondContact O-N 2.76Å; N15-V19 VanDerWaalsContact OD1-CG2 3.3Å; N15-V19 WeakPolarHBondContact OD1-CG2 3.46Å; N15-T86 VanDerWaalsContact ND2-CG2 3.26Å; N15-T86 WeakPolarHBondContact ND2-CG2 3.37Å
16L88.1Confident88.2Confident2 Ų258.4 Ų58.41%0.0129%0.287CS..Hα-helixtrans-52.8-55.4174.5-70171.6000111.5L9 N12 R13 T18 V19 M20 V57 F71 L83 L87L9-L16 HydrophobicContact CD2-CD1 3.94Å; N12-L16 PolarHBondContact O-N 3.07Å; R13-L16 PolarHBondContact O-N 3.48Å; L16-T18 VanDerWaalsContact C-N 3.27Å; L16-T18 PolarHBondContact O-N 3.17Å; L16-V19 PolarHBondContact O-N 2.57Å; L16-M20 WeakPolarHBondContact O-CA 3.46Å; L16-M20 WeakPolarHBondContact O-CB 3.49Å; L16-M20 PolarHBondContact O-N 3.44Å; L16-V57 HydrophobicContact CB-CG2 4.12Å; L16-V57 HydrophobicContact CD1-CG1 4.23Å; L16-V57 HydrophobicContact CD1-CG2 3.93Å; L16-F71 HydrophobicContact CD2-CZ 4.41Å; L16-L83 HydrophobicContact CD2-CD1 4.35Å; L16-L83 HydrophobicContact CD2-CD2 4.35Å; L16-L87 HydrophobicContact CD1-CD2 4.14Å; L16-L87 HydrophobicContact CD2-CD1 4.22Å; L16-L87 HydrophobicContact CD2-CD2 4.32Å; L16-L87 HydrophobicContact CG-CD2 4.45Å
17V89.1Confident88.3Confident14 Ų1462.8 Ų62.89%0.08531%0.308CS..Hα-helixtrans-61.3-36.8179.7172.10000112.2R13 N15 R49 R50 R54R13-V17 HydrophobicContact CG-CG2 4.43Å; R13-V17 WeakPolarHBondContact O-CB 3.44Å; R13-V17 VanDerWaalsContact O-CG2 3.3Å; R13-V17 WeakPolarHBondContact O-CG2 3.49Å; R13-V17 PolarHBondContact O-N 3.47Å; N15-V17 PolarHBondContact O-N 3.49Å; V17-R49 PolarHBondContact O-NH1 2.95Å; V17-R49 PolarHBondContact O-NH2 3.04Å; V17-R50 HydrophobicContact CG1-CB 3.97Å; V17-R50 HydrophobicContact CG1-CG 4.2Å; V17-R54 HydrophobicContact CG1-CB 4.43Å; V17-R54 HydrophobicContact CG2-CB 3.8Å
18T82Confident88.6Confident69 Ų6957.5 Ų57.542%0.42329%0.287SS..Hα-helixtrans-73.1-39.9-176.9-58.70000113I14 N15 L16 R49I14-T18 VanDerWaalsContact O-CB 3.23Å; I14-T18 WeakPolarHBondContact O-CB 2.98Å; I14-T18 PolarHBondContact O-N 3.41Å; I14-T18 PolarHBondContact O-OG1 2.79Å; N15-T18 PolarHBondContact O-N 3.46Å; N15-T18 VanDerWaalsContact O-N 3.16Å; L16-T18 VanDerWaalsContact C-N 3.27Å; L16-T18 PolarHBondContact O-N 3.17Å; T18-R49 PolarHBondContact O-NH2 2.93Å
19V86.6Confident88.9Confident88 Ų8855.1 Ų55.153%0.53327%0.274SS..Hα-helixtrans-111.8-28.2-167.1177.90000113.5N15 L16 D21 L83N15-V19 WeakPolarHBondContact O-CB 3.3Å; N15-V19 PolarHBondContact O-N 2.76Å; N15-V19 VanDerWaalsContact OD1-CG2 3.3Å; N15-V19 WeakPolarHBondContact OD1-CG2 3.46Å; L16-V19 PolarHBondContact O-N 2.57Å; V19-D21 PolarHBondContact O-N 2.79Å; V19-L83 HydrophobicContact CB-CD2 4.11Å; V19-L83 HydrophobicContact CG1-CD2 4.09Å
20M91.3Very high89.1Confident0 Ų060 Ų600%030%0.296CS..  trans-69.1129.8-176.1-170.8179.165.600112.3L16 P22 L25 R49 A53 L56 V57 F71 L75 Q80 L83L16-M20 WeakPolarHBondContact O-CA 3.46Å; L16-M20 WeakPolarHBondContact O-CB 3.49Å; L16-M20 PolarHBondContact O-N 3.44Å; M20-P22 WeakPolarHBondContact O-CD 3.44Å; M20-L25 HydrophobicContact CG-CD1 3.62Å; M20-L25 HydrophobicContact SD-CD1 3.58Å; M20-L25 VanDerWaalsContact SD-CD1 3.58Å; M20-R49 PolarHBondContact O-NH1 3.09Å; M20-A53 HydrophobicContact CE-CB 3.62Å; M20-A53 WeakPolarHBondContact CE-O 3.35Å; M20-L56 HydrophobicContact CE-CB 4.44Å; M20-L56 HydrophobicContact CE-CD1 4.49Å; M20-L56 HydrophobicContact CE-CD2 4.19Å; M20-V57 HydrophobicContact CE-CG2 3.96Å; M20-F71 HydrophobicContact SD-CE2 3.88Å; M20-F71 HydrophobicContact SD-CZ 3.72Å; M20-L75 HydrophobicContact CG-CD2 4.39Å; M20-L75 HydrophobicContact SD-CD2 4.5Å; M20-Q80 VanDerWaalsContact CA-OE1 3.3Å; M20-L83 HydrophobicContact CB-CD1 3.65Å; M20-L83 HydrophobicContact CG-CD1 3.93Å
21D92.1Very high89.3Confident54 Ų5462.7 Ų62.729%0.28931%0.308SS..  trans-89.2113.9164.3-173.11.4000109.5V19 L23 V24 L25 Q80V19-D21 PolarHBondContact O-N 2.79Å; D21-L23 WeakPolarHBondContact OD1-CB 3.39Å; D21-L23 PolarHBondContact OD1-N 3Å; D21-V24 HydrophobicContact CB-CG2 4.06Å; D21-L25 WeakPolarHBondContact O-CD1 3.45Å; D21-Q80 PolarHBondContact O-NE2 2.89Å
22P89.9Confident89.5Confident0 Ų057.5 Ų57.50%029%0.29CS..SBendtrans-77-22.2177.232.8-34.8000112.9M20 V24 L25 Y26 R49 Q52 A53 L56M20-P22 WeakPolarHBondContact O-CD 3.44Å; P22-V24 PolarHBondContact O-N 3.03Å; P22-L25 PolarHBondContact O-N 3.31Å; P22-Y26 HydrophobicContact CB-CE1 4.2Å; P22-Y26 WeakPolarHBondContact O-CD2 3.28Å; P22-Y26 PolarHBondContact O-N 3.14Å; P22-R49 HydrophobicContact CG-CG 4.19Å; P22-Q52 HydrophobicContact CB-CB 4.33Å; P22-Q52 HydrophobicContact CG-CB 3.71Å; P22-A53 HydrophobicContact CG-CB 4.43Å; P22-L56 HydrophobicContact CB-CD1 3.91Å
23L91.1Very high89.7Confident113 Ų11359.2 Ų59.259%0.59231%0.314SS*.G310 helixtrans-61-45.4-176.4-72.6162.7000111.5D21 L25 Y26D21-L23 WeakPolarHBondContact OD1-CB 3.39Å; D21-L23 PolarHBondContact OD1-N 3Å; L23-L25 PolarHBondContact O-N 3.44Å; L23-Y26 HydrophobicContact CD2-CE2 4Å; L23-Y26 HydrophobicContact CG-CE2 4.5Å
24V91.8Very high89.9Confident66 Ų6655.4 Ų55.440%0.430%0.301SS..G310 helixtrans-76.10.1178.2-57.50000114.1D21 P22 S78 Q80D21-V24 HydrophobicContact CB-CG2 4.06Å; P22-V24 PolarHBondContact O-N 3.03Å; V24-S78 WeakPolarHBondContact O-CB 3.47Å; V24-Q80 VanDerWaalsContact CG2-NE2 3.3Å
25L92.6Very high90.5Very high0 Ų048.9 Ų48.90%027%0.267CS..G310 helixtrans-107.5-19.3179.9-67.3174.7000113.4M20 D21 P22 L23 E27 L29 L56 F71 L75 S78M20-L25 HydrophobicContact CG-CD1 3.62Å; M20-L25 HydrophobicContact SD-CD1 3.58Å; M20-L25 VanDerWaalsContact SD-CD1 3.58Å; D21-L25 WeakPolarHBondContact O-CD1 3.45Å; P22-L25 PolarHBondContact O-N 3.31Å; L23-L25 PolarHBondContact O-N 3.44Å; L25-E27 PolarHBondContact O-N 2.9Å; L25-L29 HydrophobicContact CB-CD1 3.88Å; L25-L29 VanDerWaalsContact O-CB 3.23Å; L25-L29 WeakPolarHBondContact O-CB 3.37Å; L25-L29 WeakPolarHBondContact O-CD1 3.24Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 2.6Å; L25-L56 HydrophobicContact CB-CD1 4.38Å; L25-F71 HydrophobicContact CD1-CE2 4.21Å; L25-L75 HydrophobicContact CD1-CD2 3.92Å; L25-L75 HydrophobicContact CD2-CD2 4.14Å; L25-L75 HydrophobicContact CD2-CG 4.45Å; L25-S78 WeakPolarHBondContact CD2-OG 3.19Å
26Y92.6Very high90.8Very high14 Ų1449.6 Ų49.66%0.05527%0.274CS..Hα-helixtrans-59.9-48.6-177-64.3-44000113P22 L23 L29 F30 I40 I43 K44 Q52 L56P22-Y26 HydrophobicContact CB-CE1 4.2Å; P22-Y26 WeakPolarHBondContact O-CD2 3.28Å; P22-Y26 PolarHBondContact O-N 3.14Å; L23-Y26 HydrophobicContact CD2-CE2 4Å; L23-Y26 HydrophobicContact CG-CE2 4.5Å; Y26-L29 PolarHBondContact O-N 2.91Å; Y26-F30 VanDerWaalsContact O-CB 3.3Å; Y26-F30 WeakPolarHBondContact O-CB 3.39Å; Y26-F30 PolarHBondContact O-N 3.31Å; Y26-I40 HydrophobicContact CD1-CB 4.5Å; Y26-I40 HydrophobicContact CD1-CG1 4.23Å; Y26-I40 HydrophobicContact CD1-CG2 3.84Å; Y26-I40 HydrophobicContact CG-CG2 3.83Å; Y26-I40 WeakPolarHBondContact O-CD1 3.42Å; Y26-I43 HydrophobicContact CE1-CB 4.28Å; Y26-I43 HydrophobicContact CE1-CG2 3.73Å; Y26-K44 HydrophobicContact CD2-CG 4.24Å; Y26-K44 HydrophobicContact CE2-CD 4.48Å; Y26-K44 HydrophobicContact CE2-CG 3.65Å; Y26-Q52 WeakPolarHBondContact OH-CB 3.11Å; Y26-Q52 PolarHBondContact OH-OE1 3.34Å; Y26-L56 HydrophobicContact CE1-CD1 4.25Å
27E90.8Very high90.9Very high144 Ų14453.9 Ų53.967%0.67330%0.295SS*.Hα-helixtrans-65.9-52.7-179.2172.4174.8-128.500111.8L25 L29 F30 E31L25-E27 PolarHBondContact O-N 2.9Å; E27-L29 VanDerWaalsContact C-N 3.3Å; E27-L29 PolarHBondContact O-N 3.21Å; E27-F30 WeakPolarHBondContact O-CB 3.31Å; E27-F30 PolarHBondContact O-N 3.27Å; E27-F30 VanDerWaalsContact O-N 3.14Å; E27-E31 WeakPolarHBondContact O-CG 3.37Å; E27-E31 PolarHBondContact O-N 3.04Å
28P91.6Very high91Very high19 Ų1959 Ų5912%0.12332%0.322CS..Hα-helixtrans-58.1-34.9174.7-28.235.5000115K32P28-K32 WeakPolarHBondContact O-CB 3.26Å; P28-K32 VanDerWaalsContact O-CG 3.24Å; P28-K32 WeakPolarHBondContact O-CG 3.29Å; P28-K32 PolarHBondContact O-N 2.67Å
29L92.6Very high91.4Very high0 Ų057.3 Ų57.30%031%0.31CS..Hα-helixtrans-79.1-26179.2-67.7170.3000112.9L25 Y26 E27 V34 F35 L56 F71 S74L25-L29 HydrophobicContact CB-CD1 3.88Å; L25-L29 VanDerWaalsContact O-CB 3.23Å; L25-L29 WeakPolarHBondContact O-CB 3.37Å; L25-L29 WeakPolarHBondContact O-CD1 3.24Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 2.6Å; Y26-L29 PolarHBondContact O-N 2.91Å; E27-L29 VanDerWaalsContact C-N 3.3Å; E27-L29 PolarHBondContact O-N 3.21Å; L29-V34 HydrophobicContact CB-CB 4.33Å; L29-V34 HydrophobicContact CD2-CB 4.03Å; L29-V34 HydrophobicContact CD2-CG1 4.15Å; L29-V34 HydrophobicContact CD2-CG2 4.06Å; L29-V34 WeakPolarHBondContact O-CB 3.31Å; L29-V34 PolarHBondContact O-N 3.13Å; L29-F35 HydrophobicContact CB-CD2 3.96Å; L29-F35 HydrophobicContact CD1-CD2 4.07Å; L29-F35 HydrophobicContact CD1-CE2 3.99Å; L29-F35 PolarHBondContact O-N 2.89Å; L29-L56 HydrophobicContact CD1-CD1 4.11Å; L29-L56 HydrophobicContact CD1-CD2 4.14Å; L29-L56 HydrophobicContact CD1-CG 4.43Å; L29-F71 HydrophobicContact CD1-CD2 4.29Å; L29-F71 HydrophobicContact CD2-CB 4.32Å; L29-F71 HydrophobicContact CD2-CD2 4.23Å; L29-S74 WeakPolarHBondContact CD2-OG 3.35Å
30F93.4Very high91.7Very high104 Ų10453.3 Ų53.346%0.45629%0.285SS..Hα-helixtrans-70.2-52.8169.5178.7-110.6000111.1Y26 E27 K32 G33 M37 I40Y26-F30 VanDerWaalsContact O-CB 3.3Å; Y26-F30 WeakPolarHBondContact O-CB 3.39Å; Y26-F30 PolarHBondContact O-N 3.31Å; E27-F30 WeakPolarHBondContact O-CB 3.31Å; E27-F30 PolarHBondContact O-N 3.27Å; E27-F30 VanDerWaalsContact O-N 3.14Å; F30-K32 VanDerWaalsContact C-N 3.29Å; F30-K32 PolarHBondContact O-N 3.47Å; F30-G33 WeakPolarHBondContact O-CA 3.45Å; F30-G33 PolarHBondContact O-N 3.18Å; F30-M37 HydrophobicContact CE2-CB 4.14Å; F30-I40 HydrophobicContact CB-CD1 3.63Å; F30-I40 HydrophobicContact CD2-CD1 4.26Å; F30-I40 HydrophobicContact CG-CD1 4.34Å
31E92.1Very high91.7Very high149 Ų14956.5 Ų56.570%0.69630%0.302SS*.Hα-helixtrans-59.1-39.6-179-70.6-170.1148.200112.5E27 G33E27-E31 WeakPolarHBondContact O-CG 3.37Å; E27-E31 PolarHBondContact O-N 3.04Å; E31-G33 PolarHBondContact O-N 3.12Å
32K91.4Very high91.6Very high54 Ų5457.8 Ų57.824%0.23531%0.312CS..THydrogen-bonded Turntrans-77.21.6175.8-65.6176.6-161.7-71.70113.7P28 F30 V34 L70 E73 E77P28-K32 WeakPolarHBondContact O-CB 3.26Å; P28-K32 VanDerWaalsContact O-CG 3.24Å; P28-K32 WeakPolarHBondContact O-CG 3.29Å; P28-K32 PolarHBondContact O-N 2.67Å; F30-K32 VanDerWaalsContact C-N 3.29Å; F30-K32 PolarHBondContact O-N 3.47Å; K32-V34 VanDerWaalsContact C-N 3.29Å; K32-V34 HydrophobicContact CB-CG2 4.2Å; K32-V34 PolarHBondContact O-N 3.42Å; K32-L70 HydrophobicContact CB-CD1 4.46Å; K32-L70 HydrophobicContact CB-CD2 4.29Å; K32-L70 HydrophobicContact CD-CB 4.35Å; K32-L70 HydrophobicContact CD-CD2 4.09Å; K32-L70 HydrophobicContact CG-CD2 4.42Å; K32-E73 IonicContact NZ-OE2 3.95Å; K32-E73 PolarHBondContact NZ-OE2 2.85Å; K32-E77 WeakPolarHBondContact CE-OE2 3.29Å; K32-E77 VanDerWaalsContact NZ-CD 3.28Å; K32-E77 IonicContact NZ-OE1 2.82Å; K32-E77 PolarHBondContact NZ-OE1 2.83Å; K32-E77 IonicContact NZ-OE2 2.78Å; K32-E77 PolarHBondContact NZ-OE2 3.05Å
33G89.5Confident91.6Very high63 Ų6357.8 Ų57.865%0.64931%0.312SS*.THydrogen-bonded Turntrans66.525.4177.600000114.4F30 E31F30-G33 WeakPolarHBondContact O-CA 3.45Å; F30-G33 PolarHBondContact O-N 3.18Å; E31-G33 PolarHBondContact O-N 3.12Å
34V92.4Very high91.6Very high10 Ų1056.3 Ų56.36%0.06130%0.301CS..SBendtrans-79.1-38.3178-177.10000110.5L29 K32 L60 R63 A67 L70L29-V34 HydrophobicContact CB-CB 4.33Å; L29-V34 HydrophobicContact CD2-CB 4.03Å; L29-V34 HydrophobicContact CD2-CG1 4.15Å; L29-V34 HydrophobicContact CD2-CG2 4.06Å; L29-V34 WeakPolarHBondContact O-CB 3.31Å; L29-V34 PolarHBondContact O-N 3.13Å; K32-V34 VanDerWaalsContact C-N 3.29Å; K32-V34 HydrophobicContact CB-CG2 4.2Å; K32-V34 PolarHBondContact O-N 3.42Å; V34-L60 HydrophobicContact CG1-CD1 3.54Å; V34-R63 HydrophobicContact CG1-CG 4.16Å; V34-R63 WeakPolarHBondContact O-CD 3.22Å; V34-R63 WeakPolarHBondContact O-CG 3.36Å; V34-A67 HydrophobicContact CG1-CB 4.01Å; V34-L70 HydrophobicContact CG2-CB 3.67Å; V34-L70 HydrophobicContact CG2-CD1 3.89Å; V34-L70 HydrophobicContact CG2-CG 4.44Å
35F93.6Very high91.5Very high6 Ų657.6 Ų57.63%0.02631%0.313CS..SBendtrans-127.8150.6174.8-66.7-59.6000111.4L29 M39 I40 I43 L56 D59 L60 R63L29-F35 HydrophobicContact CB-CD2 3.96Å; L29-F35 HydrophobicContact CD1-CD2 4.07Å; L29-F35 HydrophobicContact CD1-CE2 3.99Å; L29-F35 PolarHBondContact O-N 2.89Å; F35-M39 HydrophobicContact CB-CB 4.36Å; F35-M39 HydrophobicContact CD1-CB 4.38Å; F35-M39 HydrophobicContact CD1-CE 3.57Å; F35-M39 HydrophobicContact CD1-SD 3.94Å; F35-M39 HydrophobicContact CE1-CE 3.78Å; F35-I40 HydrophobicContact CB-CD1 4.07Å; F35-I40 HydrophobicContact CB-CG1 3.87Å; F35-I43 HydrophobicContact CE1-CD1 4.49Å; F35-I43 HydrophobicContact CE2-CD1 4.49Å; F35-I43 HydrophobicContact CZ-CD1 4.44Å; F35-L56 HydrophobicContact CE2-CD2 4.15Å; F35-L56 HydrophobicContact CE2-CG 3.99Å; F35-L56 HydrophobicContact CZ-CG 4.5Å; F35-D59 HydrophobicContact CE1-CB 3.68Å; F35-D59 HydrophobicContact CZ-CB 4.12Å; F35-L60 HydrophobicContact CE2-CD1 4.22Å; F35-L60 HydrophobicContact CZ-CB 4.02Å; F35-L60 HydrophobicContact CZ-CD1 4.08Å; F35-R63 HydrophobicContact CD1-CG 4.33Å; F35-R63 HydrophobicContact CE1-CG 3.84Å; F35-R63 HydrophobicContact CZ-CG 4.4Å
36T92.5Very high91.1Very high73 Ų7359.6 Ų59.645%0.44833%0.327SS..  trans-85.8167.2168.364.70000110.4D38 M39 I40T36-D38 PolarHBondContact O-N 3.22Å; T36-M39 WeakPolarHBondContact O-CB 3.38Å; T36-M39 PolarHBondContact O-N 3.28Å; T36-M39 WeakPolarHBondContact OG1-CG 3.18Å; T36-M39 PolarHBondContact OG1-N 2.9Å; T36-I40 PolarHBondContact O-N 3.21Å
37M90.3Very high90.8Very high91 Ų9161 Ų6145%0.44835%0.346SS..Hα-helixtrans-59.8-46.4177.1-167.665.4-17700111.6F30 M39 I40 D41F30-M37 HydrophobicContact CE2-CB 4.14Å; M37-M39 PolarHBondContact O-N 2.77Å; M37-I40 WeakPolarHBondContact O-CA 3.45Å; M37-I40 WeakPolarHBondContact O-CB 3.17Å; M37-I40 PolarHBondContact O-N 3.26Å; M37-D41 PolarHBondContact O-N 2.71Å
38D91.3Very high90.8Very high123 Ų12358.1 Ų58.166%0.65834%0.338SS*.Hα-helixtrans-57.7-36.8178.5-41.1-55.1000112.5T36 T42T36-D38 PolarHBondContact O-N 3.22Å; D38-T42 WeakPolarHBondContact O-CB 3.23Å; D38-T42 PolarHBondContact O-N 3.01Å; D38-T42 PolarHBondContact O-OG1 2.98Å
39M89.8Confident90.8Very high32 Ų3261 Ų6116%0.15835%0.347CS..Hα-helixtrans-69.2-42.3175.2-74.7-167.472.900112.1F35 T36 M37 D41 T42 I43 D59 R63F35-M39 HydrophobicContact CB-CB 4.36Å; F35-M39 HydrophobicContact CD1-CB 4.38Å; F35-M39 HydrophobicContact CD1-CE 3.57Å; F35-M39 HydrophobicContact CD1-SD 3.94Å; F35-M39 HydrophobicContact CE1-CE 3.78Å; T36-M39 WeakPolarHBondContact O-CB 3.38Å; T36-M39 PolarHBondContact O-N 3.28Å; T36-M39 WeakPolarHBondContact OG1-CG 3.18Å; T36-M39 PolarHBondContact OG1-N 2.9Å; M37-M39 PolarHBondContact O-N 2.77Å; M39-D41 VanDerWaalsContact C-N 3.31Å; M39-D41 PolarHBondContact O-N 3Å; M39-T42 WeakPolarHBondContact O-CB 3.44Å; M39-T42 PolarHBondContact O-N 3.04Å; M39-I43 WeakPolarHBondContact O-CD1 3.17Å; M39-I43 VanDerWaalsContact O-CG1 3.24Å; M39-I43 WeakPolarHBondContact O-CG1 2.96Å; M39-I43 PolarHBondContact O-N 2.86Å; M39-D59 HydrophobicContact CE-CB 3.84Å; M39-R63 VanDerWaalsContact SD-CZ 3.54Å; M39-R63 PolarHBondContact SD-NH1 2.88Å
40I93Very high90.6Very high4 Ų467.7 Ų67.72%0.02137%0.372CS..Hα-helixtrans-63.4-40.2176.5-76.7166000110.6Y26 F30 F35 T36 M37 I43 K44Y26-I40 HydrophobicContact CD1-CB 4.5Å; Y26-I40 HydrophobicContact CD1-CG1 4.23Å; Y26-I40 HydrophobicContact CD1-CG2 3.84Å; Y26-I40 HydrophobicContact CG-CG2 3.83Å; Y26-I40 WeakPolarHBondContact O-CD1 3.42Å; F30-I40 HydrophobicContact CB-CD1 3.63Å; F30-I40 HydrophobicContact CD2-CD1 4.26Å; F30-I40 HydrophobicContact CG-CD1 4.34Å; F35-I40 HydrophobicContact CB-CD1 4.07Å; F35-I40 HydrophobicContact CB-CG1 3.87Å; T36-I40 PolarHBondContact O-N 3.21Å; M37-I40 WeakPolarHBondContact O-CA 3.45Å; M37-I40 WeakPolarHBondContact O-CB 3.17Å; M37-I40 PolarHBondContact O-N 3.26Å; I40-I43 PolarHBondContact O-N 2.72Å; I40-K44 HydrophobicContact CG2-CD 4.28Å; I40-K44 VanDerWaalsContact CG2-CE 3.41Å; I40-K44 VanDerWaalsContact O-CG 3.31Å; I40-K44 WeakPolarHBondContact O-CG 3.41Å; I40-K44 PolarHBondContact O-N 2.86Å
41D90.6Very high90.2Very high67 Ų6764.9 Ų64.936%0.35836%0.362SS..Hα-helixtrans-72.3-34.4177.6-66-24.8000111.8M37 M39 K44 S45M37-D41 PolarHBondContact O-N 2.71Å; M39-D41 VanDerWaalsContact C-N 3.31Å; M39-D41 PolarHBondContact O-N 3Å; D41-K44 PolarHBondContact O-N 3.34Å; D41-K44 IonicContact OD1-NZ 3.18Å; D41-K44 PolarHBondContact OD1-NZ 2.73Å; D41-S45 WeakPolarHBondContact O-CB 3.3Å; D41-S45 PolarHBondContact O-N 2.97Å; D41-S45 PolarHBondContact O-OG 3.5Å
42T90.1Very high90.1Very high81 Ų8159.1 Ų59.150%0.49734%0.335SS..Hα-helixtrans-58.6-47.6167-57.10000110.9D38 M39 S45 S46D38-T42 WeakPolarHBondContact O-CB 3.23Å; D38-T42 PolarHBondContact O-N 3.01Å; D38-T42 PolarHBondContact O-OG1 2.98Å; M39-T42 WeakPolarHBondContact O-CB 3.44Å; M39-T42 PolarHBondContact O-N 3.04Å; T42-S45 PolarHBondContact O-N 3.37Å; T42-S45 PolarHBondContact O-OG 2.92Å; T42-S46 PolarHBondContact O-N 3.44Å
43I91.1Very high90.1Very high0 Ų056.5 Ų56.50%032%0.324CS..Hα-helixtrans-61.9-48.3177.1-65.9159000110.3Y26 F35 M39 I40 S45 S46 Q52 Q55 L56Y26-I43 HydrophobicContact CE1-CB 4.28Å; Y26-I43 HydrophobicContact CE1-CG2 3.73Å; F35-I43 HydrophobicContact CE1-CD1 4.49Å; F35-I43 HydrophobicContact CE2-CD1 4.49Å; F35-I43 HydrophobicContact CZ-CD1 4.44Å; M39-I43 WeakPolarHBondContact O-CD1 3.17Å; M39-I43 VanDerWaalsContact O-CG1 3.24Å; M39-I43 WeakPolarHBondContact O-CG1 2.96Å; M39-I43 PolarHBondContact O-N 2.86Å; I40-I43 PolarHBondContact O-N 2.72Å; I43-S45 PolarHBondContact O-N 3.26Å; I43-S46 VanDerWaalsContact O-CB 3.28Å; I43-S46 WeakPolarHBondContact O-CB 3.43Å; I43-S46 PolarHBondContact O-N 3.43Å; I43-S46 PolarHBondContact O-OG 2.84Å; I43-S46 VanDerWaalsContact O-OG 3.05Å; I43-Q52 HydrophobicContact CG2-CB 4.29Å; I43-Q52 WeakPolarHBondContact CG2-O 3.39Å; I43-Q52 WeakPolarHBondContact O-CG 3.47Å; I43-Q55 HydrophobicContact CG1-CB 4.49Å; I43-Q55 HydrophobicContact CG1-CG 3.97Å; I43-Q55 HydrophobicContact CG2-CB 4.41Å; I43-L56 HydrophobicContact CD1-CB 4.43Å; I43-L56 HydrophobicContact CG2-CB 4.2Å
44K90.4Very high90.2Very high82 Ų8257 Ų5736%0.35731%0.306SS..Hα-helixtrans-56.9-37176.6-72170.1-167.31560112.5Y26 I40 D41 S46Y26-K44 HydrophobicContact CD2-CG 4.24Å; Y26-K44 HydrophobicContact CE2-CD 4.48Å; Y26-K44 HydrophobicContact CE2-CG 3.65Å; I40-K44 HydrophobicContact CG2-CD 4.28Å; I40-K44 VanDerWaalsContact CG2-CE 3.41Å; I40-K44 VanDerWaalsContact O-CG 3.31Å; I40-K44 WeakPolarHBondContact O-CG 3.41Å; I40-K44 PolarHBondContact O-N 2.86Å; D41-K44 PolarHBondContact O-N 3.34Å; D41-K44 IonicContact OD1-NZ 3.18Å; D41-K44 PolarHBondContact OD1-NZ 2.73Å; K44-S46 PolarHBondContact O-N 2.66Å
45S90.5Very high90.1Very high94 Ų9459.3 Ų59.366%0.65732%0.316SS*.Hα-helixtrans-71.6-11.7178.877.40000114.2D41 T42 I43 G47D41-S45 WeakPolarHBondContact O-CB 3.3Å; D41-S45 PolarHBondContact O-N 2.97Å; D41-S45 PolarHBondContact O-OG 3.5Å; T42-S45 PolarHBondContact O-N 3.37Å; T42-S45 PolarHBondContact O-OG 2.92Å; I43-S45 PolarHBondContact O-N 3.26Å; S45-G47 PolarHBondContact O-N 3Å
46S83.6Confident90.1Very high41 Ų4159 Ų5929%0.28732%0.315SS..THydrogen-bonded Turntrans-75.28.3-171.389.70000115.2T42 I43 K44 D51 Q52T42-S46 PolarHBondContact O-N 3.44Å; I43-S46 VanDerWaalsContact O-CB 3.28Å; I43-S46 WeakPolarHBondContact O-CB 3.43Å; I43-S46 PolarHBondContact O-N 3.43Å; I43-S46 PolarHBondContact O-OG 2.84Å; I43-S46 VanDerWaalsContact O-OG 3.05Å; K44-S46 PolarHBondContact O-N 2.66Å; S46-D51 WeakPolarHBondContact O-CB 3.38Å; S46-D51 PolarHBondContact OG-O 3.17Å; S46-Q52 WeakPolarHBondContact OG-CA 3.08Å; S46-Q52 PolarHBondContact OG-N 3.31Å
47G87.1Confident90.1Very high45 Ų4555.6 Ų55.646%0.46429%0.293SS..SBendtrans106.1-130.4176.300000114.2S45 Q52S45-G47 PolarHBondContact O-N 3Å; G47-Q52 PolarHBondContact O-NE2 3.28Å
48T89.4Confident90.1Very high83 Ų8354.2 Ų54.251%0.50929%0.288SS..SBendtrans-71.8168-171770000112.4R50 D51 Q52T48-R50 PolarHBondContact O-N 2.74Å; T48-R50 PolarHBondContact OG1-N 3.26Å; T48-D51 VanDerWaalsContact CB-OD2 3.27Å; T48-D51 WeakPolarHBondContact CB-OD2 3.48Å; T48-D51 WeakPolarHBondContact CG2-OD2 3.45Å; T48-D51 PolarHBondContact N-OD2 3.39Å; T48-D51 PolarHBondContact O-N 3.25Å; T48-D51 PolarHBondContact OG1-N 3.37Å; T48-D51 PolarHBondContact OG1-OD2 3.49Å; T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 2.83Å
49R92.6Very high90.1Very high80 Ų8049.8 Ų49.830%0.30226%0.264SS..Hα-helixtrans-48.6-37.5172-169.5-150.657.662.2-3112.6V17 T18 M20 P22 A53V17-R49 PolarHBondContact O-NH1 2.95Å; V17-R49 PolarHBondContact O-NH2 3.04Å; T18-R49 PolarHBondContact O-NH2 2.93Å; M20-R49 PolarHBondContact O-NH1 3.09Å; P22-R49 HydrophobicContact CG-CG 4.19Å; R49-A53 VanDerWaalsContact O-CB 3.23Å; R49-A53 WeakPolarHBondContact O-CB 3.46Å; R49-A53 PolarHBondContact O-N 2.97Å
50R87.3Confident90.2Very high140 Ų14048.2 Ų48.253%0.52826%0.256SS..Hα-helixtrans-69.7-40.7178.6-77.1-176176.31441.4111.9V17 T48 A53 R54V17-R50 HydrophobicContact CG1-CB 3.97Å; V17-R50 HydrophobicContact CG1-CG 4.2Å; T48-R50 PolarHBondContact O-N 2.74Å; T48-R50 PolarHBondContact OG1-N 3.26Å; R50-A53 PolarHBondContact O-N 3Å; R50-R54 VanDerWaalsContact O-CB 3.23Å; R50-R54 WeakPolarHBondContact O-CB 3.24Å; R50-R54 PolarHBondContact O-N 2.91Å
51D85.9Confident90.1Very high45 Ų4549.4 Ų49.424%0.24126%0.262CS..Hα-helixtrans-68.5-44178.7-52.6-53.6000110.7S46 T48 A53 R54 Q55S46-D51 WeakPolarHBondContact O-CB 3.38Å; S46-D51 PolarHBondContact OG-O 3.17Å; T48-D51 VanDerWaalsContact CB-OD2 3.27Å; T48-D51 WeakPolarHBondContact CB-OD2 3.48Å; T48-D51 WeakPolarHBondContact CG2-OD2 3.45Å; T48-D51 PolarHBondContact N-OD2 3.39Å; T48-D51 PolarHBondContact O-N 3.25Å; T48-D51 PolarHBondContact OG1-N 3.37Å; T48-D51 PolarHBondContact OG1-OD2 3.49Å; D51-A53 VanDerWaalsContact C-N 3.34Å; D51-A53 PolarHBondContact O-N 2.84Å; D51-R54 WeakPolarHBondContact O-CB 3.44Å; D51-R54 PolarHBondContact O-N 3.03Å; D51-R54 VanDerWaalsContact O-N 3.14Å; D51-R54 IonicContact OD1-NH1 2.89Å; D51-R54 PolarHBondContact OD1-NH1 2.7Å; D51-Q55 WeakPolarHBondContact O-CB 3.43Å; D51-Q55 PolarHBondContact O-N 2.88Å
52Q90.8Very high90Very high27 Ų2750.4 Ų50.413%0.12627%0.271CS..Hα-helixtrans-56.5-46.7172.2-66.8179.331.400111.3P22 Y26 I43 S46 G47 T48 R54 Q55 L56P22-Q52 HydrophobicContact CB-CB 4.33Å; P22-Q52 HydrophobicContact CG-CB 3.71Å; Y26-Q52 WeakPolarHBondContact OH-CB 3.11Å; Y26-Q52 PolarHBondContact OH-OE1 3.34Å; I43-Q52 HydrophobicContact CG2-CB 4.29Å; I43-Q52 WeakPolarHBondContact CG2-O 3.39Å; I43-Q52 WeakPolarHBondContact O-CG 3.47Å; S46-Q52 WeakPolarHBondContact OG-CA 3.08Å; S46-Q52 PolarHBondContact OG-N 3.31Å; G47-Q52 PolarHBondContact O-NE2 3.28Å; T48-Q52 WeakPolarHBondContact O-CG 3.43Å; T48-Q52 PolarHBondContact O-N 2.83Å; Q52-R54 PolarHBondContact O-N 2.89Å; Q52-Q55 PolarHBondContact O-N 2.89Å; Q52-L56 VanDerWaalsContact O-CB 3.27Å; Q52-L56 WeakPolarHBondContact O-CB 3.45Å; Q52-L56 PolarHBondContact O-N 3.3Å
53A90.3Very high90Very high0 Ų050.1 Ų50.10%026%0.26CS..Hα-helixtrans-64.7-37.8176.100000112.8M20 P22 R49 R50 D51 V57M20-A53 HydrophobicContact CE-CB 3.62Å; M20-A53 WeakPolarHBondContact CE-O 3.35Å; P22-A53 HydrophobicContact CG-CB 4.43Å; R49-A53 VanDerWaalsContact O-CB 3.23Å; R49-A53 WeakPolarHBondContact O-CB 3.46Å; R49-A53 PolarHBondContact O-N 2.97Å; R50-A53 PolarHBondContact O-N 3Å; D51-A53 VanDerWaalsContact C-N 3.34Å; D51-A53 PolarHBondContact O-N 2.84Å; A53-V57 WeakPolarHBondContact O-CG2 3.27Å; A53-V57 PolarHBondContact O-N 3.15Å
54R90.8Very high89.7Confident73 Ų7352.5 Ų52.528%0.27529%0.285SS..Hα-helixtrans-66.6-44.3176.6174-170.1-76.4148-17.6111.3V17 R50 D51 Q52 L58 E307V17-R54 HydrophobicContact CG1-CB 4.43Å; V17-R54 HydrophobicContact CG2-CB 3.8Å; R50-R54 VanDerWaalsContact O-CB 3.23Å; R50-R54 WeakPolarHBondContact O-CB 3.24Å; R50-R54 PolarHBondContact O-N 2.91Å; D51-R54 WeakPolarHBondContact O-CB 3.44Å; D51-R54 PolarHBondContact O-N 3.03Å; D51-R54 VanDerWaalsContact O-N 3.14Å; D51-R54 IonicContact OD1-NH1 2.89Å; D51-R54 PolarHBondContact OD1-NH1 2.7Å; Q52-R54 PolarHBondContact O-N 2.89Å; R54-L58 HydrophobicContact CG-CD1 4.45Å; R54-L58 WeakPolarHBondContact O-CG 3.49Å; R54-L58 PolarHBondContact O-N 3.09Å; R54-L58 VanDerWaalsContact O-N 3.1Å; R54-E307 IonicContact CZ-OE1 2.78Å; R54-E307 IonicContact NH1-OE1 3.3Å; R54-E307 PolarHBondContact NH1-OE1 3.37Å; R54-E307 IonicContact NH2-OE1 2.87Å; R54-E307 PolarHBondContact NH2-OE1 3.04Å
55Q90.4Very high89.5Confident59 Ų5953.4 Ų53.428%0.27629%0.293SS..Hα-helixtrans-69-43.4179.6-170.558.430.200111I43 D51 Q52 V57 L58 D59I43-Q55 HydrophobicContact CG1-CB 4.49Å; I43-Q55 HydrophobicContact CG1-CG 3.97Å; I43-Q55 HydrophobicContact CG2-CB 4.41Å; D51-Q55 WeakPolarHBondContact O-CB 3.43Å; D51-Q55 PolarHBondContact O-N 2.88Å; Q52-Q55 PolarHBondContact O-N 2.89Å; Q55-V57 PolarHBondContact O-N 3.37Å; Q55-L58 PolarHBondContact O-N 3.05Å; Q55-D59 VanDerWaalsContact NE2-CG 3.26Å; Q55-D59 PolarHBondContact NE2-OD1 3.31Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.14Å; Q55-D59 PolarHBondContact NE2-OD2 3.17Å; Q55-D59 WeakPolarHBondContact O-CB 3.29Å; Q55-D59 PolarHBondContact O-N 2.65Å
56L94.6Very high89.4Confident0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-55-48.1173.5-168.5160.9000111.5M20 P22 L25 Y26 L29 F35 I43 Q52 D59 L60 F71M20-L56 HydrophobicContact CE-CB 4.44Å; M20-L56 HydrophobicContact CE-CD1 4.49Å; M20-L56 HydrophobicContact CE-CD2 4.19Å; P22-L56 HydrophobicContact CB-CD1 3.91Å; L25-L56 HydrophobicContact CB-CD1 4.38Å; Y26-L56 HydrophobicContact CE1-CD1 4.25Å; L29-L56 HydrophobicContact CD1-CD1 4.11Å; L29-L56 HydrophobicContact CD1-CD2 4.14Å; L29-L56 HydrophobicContact CD1-CG 4.43Å; F35-L56 HydrophobicContact CE2-CD2 4.15Å; F35-L56 HydrophobicContact CE2-CG 3.99Å; F35-L56 HydrophobicContact CZ-CG 4.5Å; I43-L56 HydrophobicContact CD1-CB 4.43Å; I43-L56 HydrophobicContact CG2-CB 4.2Å; Q52-L56 VanDerWaalsContact O-CB 3.27Å; Q52-L56 WeakPolarHBondContact O-CB 3.45Å; Q52-L56 PolarHBondContact O-N 3.3Å; L56-D59 PolarHBondContact O-N 3.25Å; L56-L60 WeakPolarHBondContact O-CB 3.38Å; L56-L60 PolarHBondContact O-N 3.38Å; L56-F71 HydrophobicContact CD2-CD2 4.33Å; L56-F71 HydrophobicContact CD2-CE2 3.82Å
57V92.8Very high89.8Confident0 Ų055.5 Ų55.50%028%0.282CS..Hα-helixtrans-65.5-41179.2173.70000112.2L9 R13 L16 M20 A53 Q55 L60 E61L9-V57 HydrophobicContact CB-CG1 4.32Å; R13-V57 HydrophobicContact CG-CG1 4.48Å; L16-V57 HydrophobicContact CB-CG2 4.12Å; L16-V57 HydrophobicContact CD1-CG1 4.23Å; L16-V57 HydrophobicContact CD1-CG2 3.93Å; M20-V57 HydrophobicContact CE-CG2 3.96Å; A53-V57 WeakPolarHBondContact O-CG2 3.27Å; A53-V57 PolarHBondContact O-N 3.15Å; Q55-V57 PolarHBondContact O-N 3.37Å; V57-L60 WeakPolarHBondContact O-CB 3.37Å; V57-L60 PolarHBondContact O-N 3.3Å; V57-E61 PolarHBondContact O-N 2.94Å
58L89.8Confident90Very high63 Ų6353.7 Ų53.733%0.3326%0.261SS..Hα-helixtrans-61.3-50.9175.4-78.6172.2000111.7R54 Q55 L60 E61R54-L58 HydrophobicContact CG-CD1 4.45Å; R54-L58 WeakPolarHBondContact O-CG 3.49Å; R54-L58 PolarHBondContact O-N 3.09Å; R54-L58 VanDerWaalsContact O-N 3.1Å; Q55-L58 PolarHBondContact O-N 3.05Å; L58-L60 PolarHBondContact O-N 3.14Å; L58-E61 PolarHBondContact O-N 2.88Å
59D90.7Very high90.1Very high29 Ų2953 Ų5316%0.15526%0.258CS..Hα-helixtrans-67.5-28.9-178.1-70.4-25.8000111.3F35 M39 Q55 L56 T62 R63F35-D59 HydrophobicContact CE1-CB 3.68Å; F35-D59 HydrophobicContact CZ-CB 4.12Å; M39-D59 HydrophobicContact CE-CB 3.84Å; Q55-D59 VanDerWaalsContact NE2-CG 3.26Å; Q55-D59 PolarHBondContact NE2-OD1 3.31Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.14Å; Q55-D59 PolarHBondContact NE2-OD2 3.17Å; Q55-D59 WeakPolarHBondContact O-CB 3.29Å; Q55-D59 PolarHBondContact O-N 2.65Å; L56-D59 PolarHBondContact O-N 3.25Å; D59-T62 PolarHBondContact O-N 3.47Å; D59-T62 PolarHBondContact O-OG1 3.45Å; D59-R63 WeakPolarHBondContact O-CG 3.46Å; D59-R63 PolarHBondContact O-NE 2.95Å; D59-R63 VanDerWaalsContact O-NE 3.09Å
60L93Very high90.1Very high0 Ų050.5 Ų50.50%025%0.25CS..Hα-helixtrans-61.9-42.2174.3-168.271.8000112M1 L9 V34 F35 L56 V57 L58 T62 R63 A67 F71M1-L60 HydrophobicContact CE-CD2 4.28Å; M1-L60 HydrophobicContact CE-CG 3.78Å; M1-L60 WeakPolarHBondContact CE-O 3.48Å; L9-L60 HydrophobicContact CD1-CD2 3.88Å; L9-L60 HydrophobicContact CD1-CG 4.4Å; L9-L60 HydrophobicContact CD2-CD2 4.26Å; V34-L60 HydrophobicContact CG1-CD1 3.54Å; F35-L60 HydrophobicContact CE2-CD1 4.22Å; F35-L60 HydrophobicContact CZ-CB 4.02Å; F35-L60 HydrophobicContact CZ-CD1 4.08Å; L56-L60 WeakPolarHBondContact O-CB 3.38Å; L56-L60 PolarHBondContact O-N 3.38Å; V57-L60 WeakPolarHBondContact O-CB 3.37Å; V57-L60 PolarHBondContact O-N 3.3Å; L58-L60 PolarHBondContact O-N 3.14Å; L60-T62 PolarHBondContact O-N 3.04Å; L60-R63 WeakPolarHBondContact O-CB 3.23Å; L60-R63 PolarHBondContact O-N 3.18Å; L60-A67 HydrophobicContact CD1-CB 4.12Å; L60-F71 HydrophobicContact CD1-CB 4.04Å; L60-F71 HydrophobicContact CD1-CD2 4.49Å; L60-F71 HydrophobicContact CD1-CG 4.38Å; L60-F71 HydrophobicContact CD2-CB 3.75Å; L60-F71 HydrophobicContact CD2-CD1 3.54Å; L60-F71 HydrophobicContact CD2-CD2 3.74Å; L60-F71 HydrophobicContact CD2-CE1 3.98Å; L60-F71 HydrophobicContact CD2-CE2 4.17Å; L60-F71 HydrophobicContact CD2-CG 3.4Å; L60-F71 HydrophobicContact CD2-CZ 4.27Å
61E91.3Very high90.4Very high28 Ų2843.8 Ų43.813%0.13123%0.225CC..Hα-helixtrans-59-30.6178-70.7-174.7-146.200112.8M1 K6 L9 Q10 V57 L58M1-E61 WeakPolarHBondContact CB-O 3.39Å; K6-E61 HydrophobicContact CG-CB 4.39Å; K6-E61 HydrophobicContact CG-CG 4.33Å; L9-E61 HydrophobicContact CD1-CG 3.94Å; Q10-E61 VanDerWaalsContact CG-OE1 3.25Å; Q10-E61 WeakPolarHBondContact CG-OE1 3.3Å; Q10-E61 PolarHBondContact NE2-OE2 3.19Å; V57-E61 PolarHBondContact O-N 2.94Å; L58-E61 PolarHBondContact O-N 2.88Å
62T87.9Confident90.7Very high89 Ų8942.8 Ų42.855%0.54622%0.22SC..THydrogen-bonded Turntrans-79.5-13.9178.872.20000113.9D59 L60D59-T62 PolarHBondContact O-N 3.47Å; D59-T62 PolarHBondContact O-OG1 3.45Å; L60-T62 PolarHBondContact O-N 3.04Å
63R89.6Confident90.7Very high74 Ų7444.2 Ų44.228%0.27923%0.226SC..SBendtrans-74.9175.1-179.7-56-54.991.1-173.89.4112.5M1 V34 F35 M39 D59 L60 A67M1-R63 PolarHBondContact N-O 3.29Å; V34-R63 HydrophobicContact CG1-CG 4.16Å; V34-R63 WeakPolarHBondContact O-CD 3.22Å; V34-R63 WeakPolarHBondContact O-CG 3.36Å; F35-R63 HydrophobicContact CD1-CG 4.33Å; F35-R63 HydrophobicContact CE1-CG 3.84Å; F35-R63 HydrophobicContact CZ-CG 4.4Å; M39-R63 VanDerWaalsContact SD-CZ 3.54Å; M39-R63 PolarHBondContact SD-NH1 2.88Å; D59-R63 WeakPolarHBondContact O-CG 3.46Å; D59-R63 PolarHBondContact O-NE 2.95Å; D59-R63 VanDerWaalsContact O-NE 3.09Å; L60-R63 WeakPolarHBondContact O-CB 3.23Å; L60-R63 PolarHBondContact O-N 3.18Å; R63-A67 HydrophobicContact CB-CB 3.36Å; R63-A67 HydrophobicContact CG-CB 4.25Å
64G85.4Confident90.8Very high50 Ų5044.2 Ų44.252%0.51523%0.226SC..  trans-60.7176.3-17900000115.4R66 A67G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 3.27Å; G64-A67 WeakPolarHBondContact O-CB 3.44Å; G64-A67 PolarHBondContact O-N 3.24Å
65N85.3Confident90.8Very high101 Ų10140.8 Ų40.854%0.5421%0.213SC..THydrogen-bonded Turntrans-60.2-33.8176.861.2-16.8000113E2 A67E2-N65 HydrophobicContact CG-CB 4.46Å; N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3.14Å
66R89.5Confident90.8Very high175 Ų17543.7 Ų43.766%0.6622%0.222SC*.THydrogen-bonded Turntrans-71.1-12.3177-64-174.466.7-169.4-2.2115.1G64 F68 P69 L70G64-R66 VanDerWaalsContact C-N 3.26Å; G64-R66 PolarHBondContact O-N 3.27Å; R66-F68 PolarHBondContact O-N 2.91Å; R66-P69 VanDerWaalsContact O-CD 3.3Å; R66-P69 WeakPolarHBondContact O-CD 3.42Å; R66-P69 WeakPolarHBondContact O-CG 3.32Å; R66-L70 HydrophobicContact CB-CD1 4Å; R66-L70 WeakPolarHBondContact O-CB 3.24Å; R66-L70 WeakPolarHBondContact O-CD1 3.35Å; R66-L70 VanDerWaalsContact O-CG 3.22Å; R66-L70 WeakPolarHBondContact O-CG 3.46Å; R66-L70 PolarHBondContact O-N 3.06Å
67A90.6Very high90.5Very high5 Ų548.6 Ų48.64%0.04125%0.245CC..Hα-helixtrans-66.3-38.9-172.100000113.9M1 V34 L60 R63 G64 N65 F71M1-A67 HydrophobicContact CE-CB 4.31Å; V34-A67 HydrophobicContact CG1-CB 4.01Å; L60-A67 HydrophobicContact CD1-CB 4.12Å; R63-A67 HydrophobicContact CB-CB 3.36Å; R63-A67 HydrophobicContact CG-CB 4.25Å; G64-A67 WeakPolarHBondContact O-CB 3.44Å; G64-A67 PolarHBondContact O-N 3.24Å; N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3.14Å; A67-F71 VanDerWaalsContact O-CB 3.25Å; A67-F71 WeakPolarHBondContact O-CB 3.33Å; A67-F71 PolarHBondContact O-N 3.28Å
68F92.7Very high90.2Very high7 Ų750 Ų503%0.03126%0.255CS..Hα-helixtrans-64.5-51.8178.9-175-103.2000113.5M1 H5 I8 L9 R66 L70 F71 L72M1-F68 HydrophobicContact CE-CB 4Å; M1-F68 HydrophobicContact CG-CB 4.32Å; M1-F68 HydrophobicContact SD-CB 4.08Å; M1-F68 HydrophobicContact SD-CD2 4.41Å; H5-F68 HydrophobicContact CB-CB 3.77Å; H5-F68 HydrophobicContact CB-CD1 3.83Å; H5-F68 HydrophobicContact CB-CD2 3.88Å; H5-F68 HydrophobicContact CB-CE1 4.37Å; H5-F68 HydrophobicContact CB-CE2 4.43Å; H5-F68 HydrophobicContact CB-CG 3.56Å; H5-F68 AromaticContact CD2-CD1 3.2Å; H5-F68 WeakPolarHBondContact CD2-CD1 3.34Å; H5-F68 AromaticContact CD2-CE1 3.42Å; H5-F68 VanDerWaalsContact CD2-CE1 3.42Å; H5-F68 WeakPolarHBondContact CD2-CE1 3.31Å; H5-F68 AromaticContact CD2-CG 3.9Å; H5-F68 AromaticContact CG-CD1 3.38Å; H5-F68 AromaticContact CG-CE1 3.99Å; H5-F68 AromaticContact CG-CG 3.6Å; H5-F68 AromaticContact ND1-CD1 3.95Å; H5-F68 AromaticContact NE2-CD1 3.72Å; I8-F68 HydrophobicContact CB-CE2 4.44Å; I8-F68 HydrophobicContact CB-CZ 4.25Å; I8-F68 HydrophobicContact CD1-CZ 4.27Å; I8-F68 HydrophobicContact CG2-CE2 4.13Å; I8-F68 HydrophobicContact CG2-CZ 3.81Å; L9-F68 HydrophobicContact CD1-CD2 4.21Å; L9-F68 HydrophobicContact CD2-CD2 4.13Å; L9-F68 HydrophobicContact CD2-CE2 3.89Å; L9-F68 HydrophobicContact CG-CD2 4.03Å; L9-F68 HydrophobicContact CG-CE2 3.97Å; R66-F68 PolarHBondContact O-N 2.91Å; F68-L70 VanDerWaalsContact C-N 3.33Å; F68-L70 PolarHBondContact O-N 2.96Å; F68-F71 PolarHBondContact O-N 3.31Å; F68-L72 HydrophobicContact CD1-CD1 4.17Å; F68-L72 HydrophobicContact CE1-CD1 3.66Å; F68-L72 HydrophobicContact CE1-CG 4.27Å; F68-L72 HydrophobicContact CZ-CD1 4.06Å; F68-L72 HydrophobicContact CZ-CD2 4.4Å; F68-L72 HydrophobicContact CZ-CG 4.35Å; F68-L72 PolarHBondContact O-N 3.05Å
69P92.1Very high90Very high68 Ų6849.7 Ų49.744%0.44227%0.267SS..Hα-helixtrans-65.4-33.9176.923.3-33000113.2R66 L72 E73R66-P69 VanDerWaalsContact O-CD 3.3Å; R66-P69 WeakPolarHBondContact O-CD 3.42Å; R66-P69 WeakPolarHBondContact O-CG 3.32Å; P69-L72 PolarHBondContact O-N 3.17Å; P69-E73 PolarHBondContact O-N 2.82Å; P69-E73 VanDerWaalsContact O-N 3.09Å
70L92.1Very high89.9Confident27 Ų2749.7 Ų49.714%0.14127%0.266CS..Hα-helixtrans-67.6-36.4174.3-67.3170.5000111.9K32 V34 R66 F68 E73 S74K32-L70 HydrophobicContact CB-CD1 4.46Å; K32-L70 HydrophobicContact CB-CD2 4.29Å; K32-L70 HydrophobicContact CD-CB 4.35Å; K32-L70 HydrophobicContact CD-CD2 4.09Å; K32-L70 HydrophobicContact CG-CD2 4.42Å; V34-L70 HydrophobicContact CG2-CB 3.67Å; V34-L70 HydrophobicContact CG2-CD1 3.89Å; V34-L70 HydrophobicContact CG2-CG 4.44Å; R66-L70 HydrophobicContact CB-CD1 4Å; R66-L70 WeakPolarHBondContact O-CB 3.24Å; R66-L70 WeakPolarHBondContact O-CD1 3.35Å; R66-L70 VanDerWaalsContact O-CG 3.22Å; R66-L70 WeakPolarHBondContact O-CG 3.46Å; R66-L70 PolarHBondContact O-N 3.06Å; F68-L70 VanDerWaalsContact C-N 3.33Å; F68-L70 PolarHBondContact O-N 2.96Å; L70-E73 WeakPolarHBondContact O-CB 3.49Å; L70-E73 PolarHBondContact O-N 3.42Å; L70-S74 PolarHBondContact O-N 3.13Å; L70-S74 PolarHBondContact O-OG 3.11Å
71F94Very high89.4Confident0 Ų054.5 Ų54.50%029%0.288CS..Hα-helixtrans-66.1-40.9173.5171.6-107.8000113L9 L16 M20 L25 L29 L56 L60 A67 F68 E73 S74 L75 L87L9-F71 HydrophobicContact CD2-CD1 4.41Å; L9-F71 HydrophobicContact CD2-CE1 4.03Å; L16-F71 HydrophobicContact CD2-CZ 4.41Å; M20-F71 HydrophobicContact SD-CE2 3.88Å; M20-F71 HydrophobicContact SD-CZ 3.72Å; L25-F71 HydrophobicContact CD1-CE2 4.21Å; L29-F71 HydrophobicContact CD1-CD2 4.29Å; L29-F71 HydrophobicContact CD2-CB 4.32Å; L29-F71 HydrophobicContact CD2-CD2 4.23Å; L56-F71 HydrophobicContact CD2-CD2 4.33Å; L56-F71 HydrophobicContact CD2-CE2 3.82Å; L60-F71 HydrophobicContact CD1-CB 4.04Å; L60-F71 HydrophobicContact CD1-CD2 4.49Å; L60-F71 HydrophobicContact CD1-CG 4.38Å; L60-F71 HydrophobicContact CD2-CB 3.75Å; L60-F71 HydrophobicContact CD2-CD1 3.54Å; L60-F71 HydrophobicContact CD2-CD2 3.74Å; L60-F71 HydrophobicContact CD2-CE1 3.98Å; L60-F71 HydrophobicContact CD2-CE2 4.17Å; L60-F71 HydrophobicContact CD2-CG 3.4Å; L60-F71 HydrophobicContact CD2-CZ 4.27Å; A67-F71 VanDerWaalsContact O-CB 3.25Å; A67-F71 WeakPolarHBondContact O-CB 3.33Å; A67-F71 PolarHBondContact O-N 3.28Å; F68-F71 PolarHBondContact O-N 3.31Å; F71-E73 PolarHBondContact O-N 3.24Å; F71-S74 PolarHBondContact O-N 2.94Å; F71-L75 HydrophobicContact CD1-CD1 3.99Å; F71-L75 HydrophobicContact CE1-CD1 3.53Å; F71-L75 HydrophobicContact CE1-CG 4.33Å; F71-L75 HydrophobicContact CE2-CD1 4.28Å; F71-L75 HydrophobicContact CE2-CD2 4.49Å; F71-L75 HydrophobicContact CE2-CG 4.22Å; F71-L75 HydrophobicContact CZ-CD1 3.69Å; F71-L75 HydrophobicContact CZ-CD2 4.35Å; F71-L75 HydrophobicContact CZ-CG 4.1Å; F71-L75 WeakPolarHBondContact O-CG 3.42Å; F71-L75 PolarHBondContact O-N 3.3Å; F71-L87 HydrophobicContact CE1-CD1 4.18Å
72L91.6Very high88.8Confident23 Ų2355.3 Ų55.312%0.1230%0.304CS..Hα-helixtrans-62.1-34172.3-67.7-179000112.1F68 P69 L75 R76 I84 L87 L88F68-L72 HydrophobicContact CD1-CD1 4.17Å; F68-L72 HydrophobicContact CE1-CD1 3.66Å; F68-L72 HydrophobicContact CE1-CG 4.27Å; F68-L72 HydrophobicContact CZ-CD1 4.06Å; F68-L72 HydrophobicContact CZ-CD2 4.4Å; F68-L72 HydrophobicContact CZ-CG 4.35Å; F68-L72 PolarHBondContact O-N 3.05Å; P69-L72 PolarHBondContact O-N 3.17Å; L72-L75 HydrophobicContact CD2-CD1 4.42Å; L72-R76 PolarHBondContact O-N 3.14Å; L72-I84 HydrophobicContact CD2-CG2 4.44Å; L72-I84 WeakPolarHBondContact O-CD1 3.28Å; L72-L87 HydrophobicContact CD2-CB 4.25Å; L72-L87 HydrophobicContact CD2-CD1 3.56Å; L72-L88 HydrophobicContact CD1-CD2 4.03Å
73E90.6Very high88.7Confident58 Ų5851.4 Ų51.427%0.27128%0.28SS..Hα-helixtrans-71.1-44.1173.7176.7163-89.600112.5K32 P69 L70 F71 L75 R76 E77K32-E73 IonicContact NZ-OE2 3.95Å; K32-E73 PolarHBondContact NZ-OE2 2.85Å; P69-E73 PolarHBondContact O-N 2.82Å; P69-E73 VanDerWaalsContact O-N 3.09Å; L70-E73 WeakPolarHBondContact O-CB 3.49Å; L70-E73 PolarHBondContact O-N 3.42Å; F71-E73 PolarHBondContact O-N 3.24Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 2.94Å; E73-R76 WeakPolarHBondContact O-CA 3.42Å; E73-R76 VanDerWaalsContact O-CB 3.27Å; E73-R76 WeakPolarHBondContact O-CB 3.05Å; E73-R76 PolarHBondContact O-N 3.5Å; E73-R76 IonicContact OE1-CZ 2.65Å; E73-R76 IonicContact OE1-NH2 3.31Å; E73-R76 PolarHBondContact OE1-NH2 3.48Å; E73-E77 HydrophobicContact CG-CG 4.46Å; E73-E77 VanDerWaalsContact CG-OE1 3.3Å; E73-E77 WeakPolarHBondContact CG-OE1 3.24Å; E73-E77 WeakPolarHBondContact O-CG 3.46Å; E73-E77 PolarHBondContact O-N 3.03Å
74S92.2Very high88.5Confident0 Ų048.9 Ų48.90%027%0.272CS..Hα-helixtrans-60.4-39.9173.7-62.70000112.5L29 L70 F71 R76 E77 S78L29-S74 WeakPolarHBondContact CD2-OG 3.35Å; L70-S74 PolarHBondContact O-N 3.13Å; L70-S74 PolarHBondContact O-OG 3.11Å; F71-S74 PolarHBondContact O-N 2.94Å; S74-R76 PolarHBondContact O-N 2.9Å; S74-E77 PolarHBondContact O-N 3.3Å; S74-S78 VanDerWaalsContact O-CB 3.3Å; S74-S78 WeakPolarHBondContact O-CB 3.42Å; S74-S78 PolarHBondContact O-N 3.02Å; S74-S78 PolarHBondContact O-OG 2.88Å
75L91.6Very high88.3Confident0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-61.1-32171.7-76171.4000112.6M20 L25 F71 L72 E73 Q80 L83 I84 L87M20-L75 HydrophobicContact CG-CD2 4.39Å; M20-L75 HydrophobicContact SD-CD2 4.5Å; L25-L75 HydrophobicContact CD1-CD2 3.92Å; L25-L75 HydrophobicContact CD2-CD2 4.14Å; L25-L75 HydrophobicContact CD2-CG 4.45Å; F71-L75 HydrophobicContact CD1-CD1 3.99Å; F71-L75 HydrophobicContact CE1-CD1 3.53Å; F71-L75 HydrophobicContact CE1-CG 4.33Å; F71-L75 HydrophobicContact CE2-CD1 4.28Å; F71-L75 HydrophobicContact CE2-CD2 4.49Å; F71-L75 HydrophobicContact CE2-CG 4.22Å; F71-L75 HydrophobicContact CZ-CD1 3.69Å; F71-L75 HydrophobicContact CZ-CD2 4.35Å; F71-L75 HydrophobicContact CZ-CG 4.1Å; F71-L75 WeakPolarHBondContact O-CG 3.42Å; F71-L75 PolarHBondContact O-N 3.3Å; L72-L75 HydrophobicContact CD2-CD1 4.42Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 2.94Å; L75-Q80 HydrophobicContact CB-CB 4.48Å; L75-Q80 HydrophobicContact CD2-CB 3.75Å; L75-Q80 CarbonylContact O-C 3.58Å; L75-Q80 WeakPolarHBondContact O-CA 3.43Å; L75-Q80 PolarHBondContact O-N 3Å; L75-L83 HydrophobicContact CD1-CB 4.3Å; L75-L83 HydrophobicContact CD2-CB 4.4Å; L75-L83 HydrophobicContact CD2-CD1 3.88Å; L75-I84 HydrophobicContact CB-CD1 4.05Å; L75-I84 HydrophobicContact CB-CG1 3.88Å; L75-I84 HydrophobicContact CD1-CG1 4.36Å; L75-L87 HydrophobicContact CD1-CD1 3.94Å
76R89.9Confident88.1Confident120 Ų12050.9 Ų50.945%0.45327%0.268SS..Hα-helixtrans-75.6-43.6-179.9-169.4176.862.1-138-2.3110.9L72 E73 S74 G79 I84L72-R76 PolarHBondContact O-N 3.14Å; E73-R76 WeakPolarHBondContact O-CA 3.42Å; E73-R76 VanDerWaalsContact O-CB 3.27Å; E73-R76 WeakPolarHBondContact O-CB 3.05Å; E73-R76 PolarHBondContact O-N 3.5Å; E73-R76 IonicContact OE1-CZ 2.65Å; E73-R76 IonicContact OE1-NH2 3.31Å; E73-R76 PolarHBondContact OE1-NH2 3.48Å; S74-R76 PolarHBondContact O-N 2.9Å; R76-G79 PolarHBondContact O-N 2.64Å; R76-I84 HydrophobicContact CB-CD1 3.65Å; R76-I84 HydrophobicContact CG-CD1 4.28Å
77E88.4Confident87.9Confident104 Ų10442.9 Ų42.949%0.48624%0.238SC..Hα-helixtrans-66.9-40.5176.7-70.3163.7176.500111.4K32 E73 S74 G79K32-E77 WeakPolarHBondContact CE-OE2 3.29Å; K32-E77 VanDerWaalsContact NZ-CD 3.28Å; K32-E77 IonicContact NZ-OE1 2.82Å; K32-E77 PolarHBondContact NZ-OE1 2.83Å; K32-E77 IonicContact NZ-OE2 2.78Å; K32-E77 PolarHBondContact NZ-OE2 3.05Å; E73-E77 HydrophobicContact CG-CG 4.46Å; E73-E77 VanDerWaalsContact CG-OE1 3.3Å; E73-E77 WeakPolarHBondContact CG-OE1 3.24Å; E73-E77 WeakPolarHBondContact O-CG 3.46Å; E73-E77 PolarHBondContact O-N 3.03Å; S74-E77 PolarHBondContact O-N 3.3Å; E77-G79 PolarHBondContact O-N 3.22Å
78S87Confident87.5Confident29 Ų2948 Ų4820%0.20326%0.264CS..THydrogen-bonded Turntrans-78.810.9177.293.10000114.2V24 L25 S74 Q80V24-S78 WeakPolarHBondContact O-CB 3.47Å; L25-S78 WeakPolarHBondContact CD2-OG 3.19Å; S74-S78 VanDerWaalsContact O-CB 3.3Å; S74-S78 WeakPolarHBondContact O-CB 3.42Å; S74-S78 PolarHBondContact O-N 3.02Å; S74-S78 PolarHBondContact O-OG 2.88Å; S78-Q80 VanDerWaalsContact C-N 3.27Å; S78-Q80 PolarHBondContact O-N 3.33Å; S78-Q80 WeakPolarHBondContact OG-CG 3.23Å; S78-Q80 PolarHBondContact OG-NE2 2.84Å
79G83.9Confident86.6Confident57 Ų5757.5 Ų57.559%0.58830%0.3SS*.THydrogen-bonded Turntrans71.65.917900000116.7R76 E77 Q81R76-G79 PolarHBondContact O-N 2.64Å; E77-G79 PolarHBondContact O-N 3.22Å; G79-Q81 PolarHBondContact O-N 2.93Å
80Q88.6Confident84.7Confident28 Ų2857.8 Ų57.813%0.13131%0.308CS..  trans-84.642.1-176.7-66.6-173.379.800113.3M20 D21 V24 L75 S78 G82 L83M20-Q80 VanDerWaalsContact CA-OE1 3.3Å; D21-Q80 PolarHBondContact O-NE2 2.89Å; V24-Q80 VanDerWaalsContact CG2-NE2 3.3Å; L75-Q80 HydrophobicContact CB-CB 4.48Å; L75-Q80 HydrophobicContact CD2-CB 3.75Å; L75-Q80 CarbonylContact O-C 3.58Å; L75-Q80 WeakPolarHBondContact O-CA 3.43Å; L75-Q80 PolarHBondContact O-N 3Å; S78-Q80 VanDerWaalsContact C-N 3.27Å; S78-Q80 PolarHBondContact O-N 3.33Å; S78-Q80 WeakPolarHBondContact OG-CG 3.23Å; S78-Q80 PolarHBondContact OG-NE2 2.84Å; Q80-G82 VanDerWaalsContact C-N 3.32Å; Q80-G82 PolarHBondContact O-N 3.34Å; Q80-L83 HydrophobicContact CB-CD1 4.31Å; Q80-L83 WeakPolarHBondContact O-CB 3.43Å; Q80-L83 PolarHBondContact O-N 2.94Å; Q80-L83 VanDerWaalsContact O-N 3.11Å
81Q82.3Confident82.8Confident101 Ų10160.3 Ų60.347%0.47233%0.326SS..Hα-helixtrans-55.7-37.7-172-63.1-89.4400113.9G79 L83 I84 E85G79-Q81 PolarHBondContact O-N 2.93Å; Q81-L83 PolarHBondContact O-N 2.84Å; Q81-I84 WeakPolarHBondContact O-CB 3.49Å; Q81-I84 PolarHBondContact O-N 3.23Å; Q81-E85 PolarHBondContact O-N 2.84Å
82G80.6Confident80.3Confident46 Ų4665.5 Ų65.547%0.47436%0.359SS..Hα-helixtrans-63.3-22.2-179.500000114.6Q80 T86Q80-G82 VanDerWaalsContact C-N 3.32Å; Q80-G82 PolarHBondContact O-N 3.34Å; G82-T86 PolarHBondContact O-N 3.29Å; G82-T86 PolarHBondContact O-OG1 3.34Å
83L85.6Confident77.8Confident7 Ų770.2 Ų70.24%0.03739%0.389CS..Hα-helixtrans-73.7-36.3171.3-67.8178.5000111.5L16 V19 M20 L75 Q80 Q81 T86 L87L16-L83 HydrophobicContact CD2-CD1 4.35Å; L16-L83 HydrophobicContact CD2-CD2 4.35Å; V19-L83 HydrophobicContact CB-CD2 4.11Å; V19-L83 HydrophobicContact CG1-CD2 4.09Å; M20-L83 HydrophobicContact CB-CD1 3.65Å; M20-L83 HydrophobicContact CG-CD1 3.93Å; L75-L83 HydrophobicContact CD1-CB 4.3Å; L75-L83 HydrophobicContact CD2-CB 4.4Å; L75-L83 HydrophobicContact CD2-CD1 3.88Å; Q80-L83 HydrophobicContact CB-CD1 4.31Å; Q80-L83 WeakPolarHBondContact O-CB 3.43Å; Q80-L83 PolarHBondContact O-N 2.94Å; Q80-L83 VanDerWaalsContact O-N 3.11Å; Q81-L83 PolarHBondContact O-N 2.84Å; L83-T86 WeakPolarHBondContact O-CB 3.48Å; L83-T86 PolarHBondContact O-N 2.61Å; L83-L87 WeakPolarHBondContact O-CB 3.22Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 3.35Å
84I85.4Confident75.3Confident21 Ų2173.4 Ų73.411%0.10842%0.415CS..Hα-helixtrans-64.1-46.6178.1-55.3174.2000110.3L72 L75 R76 Q81 T86 L87 L88L72-I84 HydrophobicContact CD2-CG2 4.44Å; L72-I84 WeakPolarHBondContact O-CD1 3.28Å; L75-I84 HydrophobicContact CB-CD1 4.05Å; L75-I84 HydrophobicContact CB-CG1 3.88Å; L75-I84 HydrophobicContact CD1-CG1 4.36Å; R76-I84 HydrophobicContact CB-CD1 3.65Å; R76-I84 HydrophobicContact CG-CD1 4.28Å; Q81-I84 WeakPolarHBondContact O-CB 3.49Å; Q81-I84 PolarHBondContact O-N 3.23Å; I84-T86 VanDerWaalsContact C-N 3.26Å; I84-T86 PolarHBondContact O-N 3.21Å; I84-L87 PolarHBondContact O-N 3Å; I84-L88 HydrophobicContact CG2-CD1 3.7Å; I84-L88 HydrophobicContact CG2-CG 4.2Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 WeakPolarHBondContact O-CG 3.22Å; I84-L88 PolarHBondContact O-N 3.36Å
85E80.8Confident72.6Confident149 Ų14979.6 Ų79.670%0.69645%0.453SS*.Hα-helixtrans-58.3-39.5175.9-65.8-173171.500112Q81 R89Q81-E85 PolarHBondContact O-N 2.84Å; E85-R89 WeakPolarHBondContact O-CB 3.37Å; E85-R89 PolarHBondContact O-N 2.83Å
86T81Confident69.9Low44 Ų4484.5 Ų84.527%0.2749%0.493SS..Hα-helixtrans-65.7-46.5175.8-550000111.3N12 N15 G82 L83 I84 L88 R89N12-T86 WeakPolarHBondContact OD1-CG2 3.2Å; N15-T86 VanDerWaalsContact ND2-CG2 3.26Å; N15-T86 WeakPolarHBondContact ND2-CG2 3.37Å; G82-T86 PolarHBondContact O-N 3.29Å; G82-T86 PolarHBondContact O-OG1 3.34Å; L83-T86 WeakPolarHBondContact O-CB 3.48Å; L83-T86 PolarHBondContact O-N 2.61Å; I84-T86 VanDerWaalsContact C-N 3.26Å; I84-T86 PolarHBondContact O-N 3.21Å; T86-L88 PolarHBondContact O-N 3.2Å; T86-R89 PolarHBondContact O-N 2.69Å
87L84.1Confident67.3Low6 Ų685.2 Ų85.23%0.03151%0.511CS..Hα-helixtrans-67-34.8-178-70.1167.9000113I8 L9 N12 L16 F71 L72 L75 L83 I84I8-L87 HydrophobicContact CG2-CB 4.15Å; I8-L87 HydrophobicContact CG2-CD2 3.88Å; I8-L87 VanDerWaalsContact CG2-O 3.23Å; I8-L87 WeakPolarHBondContact CG2-O 3.43Å; L9-L87 HydrophobicContact CD2-CD2 4.43Å; N12-L87 HydrophobicContact CB-CD2 3.72Å; L16-L87 HydrophobicContact CD1-CD2 4.14Å; L16-L87 HydrophobicContact CD2-CD1 4.22Å; L16-L87 HydrophobicContact CD2-CD2 4.32Å; L16-L87 HydrophobicContact CG-CD2 4.45Å; F71-L87 HydrophobicContact CE1-CD1 4.18Å; L72-L87 HydrophobicContact CD2-CB 4.25Å; L72-L87 HydrophobicContact CD2-CD1 3.56Å; L75-L87 HydrophobicContact CD1-CD1 3.94Å; L83-L87 WeakPolarHBondContact O-CB 3.22Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.43Å; L83-L87 PolarHBondContact O-N 3.35Å; I84-L87 PolarHBondContact O-N 3Å
88L82Confident64.5Low113 Ų11391 Ų9159%0.59253%0.528SS*.Hα-helixtrans-87.1-7.7-179.2-63.6-178.6000113.8L72 I84 T86 A90L72-L88 HydrophobicContact CD1-CD2 4.03Å; I84-L88 HydrophobicContact CG2-CD1 3.7Å; I84-L88 HydrophobicContact CG2-CG 4.2Å; I84-L88 WeakPolarHBondContact O-CB 3.43Å; I84-L88 WeakPolarHBondContact O-CG 3.22Å; I84-L88 PolarHBondContact O-N 3.36Å; T86-L88 PolarHBondContact O-N 3.2Å; L88-A90 PolarHBondContact O-N 2.71Å; L88-A90 VanDerWaalsContact O-N 3.16Å
89R75.2Confident62Low206 Ų20695.4 Ų95.478%0.77756%0.556SS**  trans-72109.8-179.5-170.3171.4-177.8176.31.6111.4E85 T86E85-R89 WeakPolarHBondContact O-CB 3.37Å; E85-R89 PolarHBondContact O-N 2.83Å; T86-R89 PolarHBondContact O-N 2.69Å
90A52.7Low59.5Low74 Ų7499.3 Ų99.361%0.61257%0.568SS**PPolyproline II helixtrans-56.2149.8171.800000111.9L88L88-A90 PolarHBondContact O-N 2.71Å; L88-A90 VanDerWaalsContact O-N 3.16Å
91P50.6Low56.8Low81 Ų81104 Ų10453%0.52660%0.598SS.*PPolyproline II helixtrans-56139.3174.620.1-30.6000111.5V93P91-V93 PolarHBondContact O-N 3.21Å
92P42.6Very low54.4Low108 Ų108107.8 Ų107.870%0.70162%0.616SS**PPolyproline II helixtrans-62.3126.3166.227.3-32.5000109
93V38.3Very low52Low123 Ų123111.3 Ų111.375%0.74563%0.63SS**PPolyproline II helixtrans-63.3129.9169.8-179.40000107.8P91 T95P91-V93 PolarHBondContact O-N 3.21Å; V93-T95 PolarHBondContact O-N 2.82Å
94P37.7Very low49.3Very low124 Ų124118.6 Ų118.681%0.80567%0.668SS**  trans-70.894179.7-16.930.8000111.5A96P94-A96 PolarHBondContact O-N 3.08Å
95T35.3Very low46.8Very low130 Ų130123.7 Ų123.780%0.79870%0.703SS**  trans-70112.7165.48.30000109V93 V97V93-T95 PolarHBondContact O-N 2.82Å; T95-V97 PolarHBondContact O-N 3.18Å
96A36.6Very low44.5Very low103 Ų103124.7 Ų124.785%0.85171%0.711SS**  trans-68103.4-178.300000111.7P94P94-A96 PolarHBondContact O-N 3.08Å
97V34.2Very low42Very low135 Ų135128.1 Ų128.182%0.81874%0.737SS**  trans-91.3113.1168.7-173.90000108.6T95T95-V97 PolarHBondContact O-N 3.18Å
98R30.9Very low39.4Very low226 Ų226133.4 Ų133.485%0.85378%0.775SS**PPolyproline II helixtrans-74134.4173.9-67.9-179.4175.3-173.7-1.8109.8
99P33.9Very low37.7Very low122 Ų122133.1 Ų133.179%0.79278%0.78SS**PPolyproline II helixtrans-71.9134.4173.129.5-33000110.8
100V30.3Very low35.5Very low138 Ų138131.1 Ų131.184%0.83678%0.781SS**PPolyproline II helixtrans-81.1125.8171.71750000108.8
101V32.9Very low34.3Very low127 Ų127133.9 Ų133.977%0.7779%0.785SS**PPolyproline II helixtrans-82.7123.8175.31780000109.5
102Q31.6Very low33.3Very low181 Ų181135.2 Ų135.285%0.84679%0.792SS**PPolyproline II helixtrans-94.2127.6161.8-76.2-174.8-17.200109.4
103P31.1Very low32.6Very low119 Ų119137 Ų13777%0.77380%0.795SS**PPolyproline II helixtrans-81.1141.5177.831.1-32.5000112.2
104L28.3Very low32.1Very low160 Ų160138.8 Ų138.884%0.83879%0.793SS**PPolyproline II helixtrans-77.9145.2169.2-72.8165.2000110.8
105P32.3Very low31.7Very low128 Ų128140.5 Ų140.583%0.83179%0.791SS**PPolyproline II helixtrans-76.7145.2178.231-34.2000112.8
106I32.6Very low31.3Very low170 Ų170144.4 Ų144.487%0.87280%0.797SS**PPolyproline II helixtrans-102.3136.2178.3-63.4167.7000109.6
107S28.7Very low30.7Very low117 Ų117150.8 Ų150.882%0.81880%0.799SS**  trans-157.3142.3158.660.80000114.4
108S29.1Very low30.8Very low117 Ų117149.4 Ų149.482%0.81879%0.793SS**  trans-174.8165.8175-105.40000107.7
109P46.4Very low30.6Very low107 Ų107144.3 Ų144.370%0.69578%0.782SS**  cis-137.3-178.1-14.733.9-12.3000115.2
110M28.8Very low30.4Very low164 Ų164147.2 Ų147.281%0.80878%0.783SS**  trans68.2159162.4-30.3-161.19100118.4
111D28.6Very low30.2Very low131 Ų131145.5 Ų145.570%0.70178%0.776SS**  cis-158.2154.8-6.1-139.99.1000115
112V30Very low30Very low110 Ų110144.5 Ų144.567%0.66778%0.775SS**  trans53.5123.3143.5168.70000126.3
113N27.1Very low29.8Very low144 Ų144141.1 Ų141.177%0.7777%0.772SS**  trans64.4158.5149.9-91.4-37.1000121.4
114K28Very low29.9Very low161 Ų161141.1 Ų141.170%0.777%0.772SS**  cis-156.3142.910.6-144.1172.5-178.4175.70113.5
115Q28Very low29.8Very low161 Ų161144.9 Ų144.975%0.75278%0.775SS**  trans31.7124.8148.2-67.5170.5-36.100123.3
116K27.1Very low29.5Very low212 Ų212146.9 Ų146.992%0.92278%0.777SS**  -164.7146.4114.2-108.7171.2-177.3177.80113.4
117R25.6Very low29.2Very low236 Ų236143.5 Ų143.589%0.89177%0.769SS**  trans-125.3160.7172.7-112.6-173-168.8-171.15.1106.5
118P35.5Very low29.1Very low107 Ų107144.5 Ų144.570%0.69577%0.77SS**  -149.217160.240.3-20000118.4
119D27.3Very low28.8Very low119 Ų119146.1 Ų146.164%0.63677%0.769SS**  trans60.5132.6146-68.64.8000120.3
120K28.4Very low27.9Very low183 Ų183148.8 Ų148.880%0.79678%0.776SS**  cis-158.7178.912.5-107.1153.9-175.6128.80107.8
121S27.5Very low27.6Very low101 Ų101148.6 Ų148.671%0.70678%0.778SS**  cis-149.3-179.28.8630000112.7
122S28Very low27.5Very low106 Ų106152.5 Ų152.574%0.74178%0.784SS**  trans35.491.2148.261.40000121.3
123S27.1Very low27.4Very low111 Ų111153.3 Ų153.378%0.77679%0.792SS**  trans-75.7-179.1142.968.40000110
124P32.7Very low27.3Very low119 Ų119157.6 Ų157.677%0.77380%0.797SS**  cis-139.9166.14937.9-17.4000117.8
125R27.8Very low27.3Very low238 Ų238157.2 Ų157.290%0.89880%0.801SS**  trans-70161.4163.3-62.1171.2170176.5-5.8110.8
126L24.8Very low27.2Very low170 Ų170159.5 Ų159.589%0.8980%0.804SS**  trans-155.8147.3135.8-109.6167.1000112.2
127S27.3Very low27Very low99 Ų99160.3 Ų160.369%0.69280%0.801SS**  trans-88.4146.3174.948.90000111.7
128V25.4Very low27Very low138 Ų138156.9 Ų156.984%0.83680%0.801SS**  trans-141.1145.1162-171.10000111.5
129L23.8Very low26.6Very low152 Ų152158.1 Ų158.180%0.79680%0.802SS**  trans-78169.8179.4-93.470000114.5
130L26.8Very low26.8Very low162 Ų162162 Ų16285%0.84881%0.813SS**  trans-42.6137.3159-67.7156.2000114.3
131L23.5Very low26.8Very low161 Ų161158.1 Ų158.184%0.84381%0.809SS**  trans-133.3134.7156.5-10893.5000111.4
132Y26.2Very low26.7Very low213 Ų213160.7 Ų160.784%0.83581%0.814SS**  trans-80.9153.2170.6-66.1-103.9000111.4
133P26.9Very low26.7Very low127 Ų127163.2 Ų163.283%0.82582%0.819SS**  trans-88.2108.5154-0.319.8000110.4
134R25Very low27.6Very low233 Ų233163.2 Ų163.288%0.87982%0.817SS**  trans-101.2130152.5-91.5-173.7171.9-179.3-1.1107.7
135I28.9Very low27.3Very low154 Ų154164 Ų16479%0.7982%0.819SS**  trans-121.6104.7166.7-64.6-175.6000110.2
136Y24.7Very low27.4Very low208 Ų208157.1 Ų157.182%0.81681%0.814SS**  trans35.9116.7146.5-69.4-88.7000122
137R23.5Very low27.9Very low230 Ų230154.5 Ų154.587%0.86881%0.807SS**  trans-72.6148.4138.8-89.4179.2170.1159.1-2.7109.8
138N25.9Very low28Very low163 Ų163156.9 Ų156.987%0.87281%0.807SS**  trans-144.2139.8151.8-142.31.2000110.2
139N27.3Very low28.2Very low134 Ų134157.2 Ų157.272%0.71780%0.797SS**  trans-116.9137.7-176.1-82.6-8.3000110.5
140K30.4Very low28.4Very low201 Ų201158.6 Ų158.687%0.87480%0.8SS**  162.4123.8119.6-89.8176.4179.4-177.30114.5
141S28.4Very low28.6Very low101 Ų101161 Ų16171%0.70680%0.799SS**  trans40.9119.4131.9-158.20000121.8
142N26.6Very low29.1Very low155 Ų155162.9 Ų162.983%0.82980%0.801SS**  -175.2148.9105.7-86.8-11000112.8
143N27.2Very low29.5Very low158 Ų158161.8 Ų161.885%0.84580%0.8SS**  trans-91.1-175.4-177.1-79.6-14.2000112.6
144P47.5Very low30Very low111 Ų111161.7 Ų161.772%0.72180%0.8SS**  cis-133.4-173.2-47.738-21.8000112.3
145T26.4Very low30.3Very low135 Ų135161.7 Ų161.783%0.82880%0.8SS**  trans152.6118.3131.6-62.50000113.4
146A28.1Very low30.6Very low94 Ų94160.3 Ų160.378%0.77780%0.801SS**  trans164.2151.4138.800000111.3
147P35.7Very low31.8Very low116 Ų116160 Ų16075%0.75381%0.807SS**  trans-129.6171.7-156.843.8-29000117.7
148E28.8Very low32.9Very low149 Ų149152.2 Ų152.270%0.69680%0.799SS**  trans68.4150.1163.3-54.1-150.9146.300117.7
149K30.2Very low33.4Very low144 Ų144156.3 Ų156.363%0.62680%0.802SS**  cis-164.9143-12.4-112.7169.7-1721460107.1
150E28.8Very low33.9Very low181 Ų181156.5 Ų156.585%0.84681%0.808SS**  -177.8140126-105-178-170.100111.9
151Y29.7Very low34.2Very low214 Ų214155.8 Ų155.884%0.83980%0.8SS**  trans-105.7115.6-173.6-81.9-100.4000111.5
152F33.8Very low34.8Very low199 Ų199161.7 Ų161.787%0.87381%0.807SS**PPolyproline II helixtrans-100.4119.2155.3-91-89.2000109.9
153K36.5Very low35.5Very low190 Ų190160 Ų16083%0.82680%0.798SS**PPolyproline II helixtrans-71.2136.1178.6-69.4179.3177.5177.30110.4
154P36.3Very low36.2Very low125 Ų125156.8 Ų156.881%0.81279%0.788SS**PPolyproline II helixtrans-61.4141.4169.1-18.730.9000111
155R31.9Very low36.3Very low234 Ų234158.4 Ų158.488%0.88379%0.79SS**PPolyproline II helixtrans-67.9145.4164.4-87.7-179.8169.7170.9-2.8109.3E157R155-E157 PolarHBondContact O-N 3.23Å
156P35.3Very low37.8Very low125 Ų125158.6 Ų158.681%0.81278%0.781SS**PPolyproline II helixtrans-65.6134.6-177.626.5-34.1000111.8
157E49Very low40.2Very low200 Ų200161.1 Ų161.194%0.93578%0.776SS**SBendtrans-63.2136165-61.8175169.600109.4R155R155-E157 PolarHBondContact O-N 3.23Å
158G47.5Very low42.9Very low68 Ų68158.3 Ų158.370%0.70176%0.76SS**  trans12764.5174.500000115.7
159R35.3Very low46.1Very low248 Ų248152 Ų15294%0.93673%0.73SS**  trans-163.570.7145.6-107.4167.1-164.3-170.84.5109.4R161R159-R161 PolarHBondContact O-N 3.26Å
160T39.3Very low49.2Very low139 Ų139150.4 Ų150.485%0.85372%0.723SS**  trans-58.8107.9164.3-4.60000107.8R162T160-R162 PolarHBondContact O-N 2.81Å
161R36.4Very low52.3Low186 Ų186142.7 Ų142.770%0.70269%0.687SS**  trans-62117.6175-165.3-178-179.5172.98.7107.1R159 D163 S164R159-R161 PolarHBondContact O-N 3.26Å; R161-D163 HydrophobicContact CG-CB 4.33Å; R161-D163 WeakPolarHBondContact CG-OD2 3.43Å; R161-D163 IonicContact CZ-OD2 2.69Å; R161-D163 IonicContact NE-OD2 2.81Å; R161-D163 PolarHBondContact NE-OD2 2.9Å; R161-D163 IonicContact NH2-OD2 3.02Å; R161-D163 PolarHBondContact O-N 3.2Å; R161-S164 PolarHBondContact O-N 3.2Å
162R39.7Very low55.3Low224 Ų224137.1 Ų137.185%0.84567%0.672SS**G310 helixtrans-60.6-15-173.6-80.4-176.5174.2175.8-2.4113.7T160 S164T160-R162 PolarHBondContact O-N 2.81Å; R162-S164 VanDerWaalsContact C-N 3.28Å; R162-S164 PolarHBondContact O-N 3.26Å
163D41.8Very low58.1Low120 Ų120128.5 Ų128.564%0.64264%0.636SS**G310 helixtrans-68.1-18.6179.3-51-33.9000114.1R161 L165R161-D163 HydrophobicContact CG-CB 4.33Å; R161-D163 WeakPolarHBondContact CG-OD2 3.43Å; R161-D163 IonicContact CZ-OD2 2.69Å; R161-D163 IonicContact NE-OD2 2.81Å; R161-D163 PolarHBondContact NE-OD2 2.9Å; R161-D163 IonicContact NH2-OD2 3.02Å; R161-D163 PolarHBondContact O-N 3.2Å; D163-L165 PolarHBondContact O-N 3.44Å
164S43Very low60.8Low91 Ų91124.1 Ų124.164%0.63663%0.629SS**G310 helixtrans-78.45.4-176.4-58.70000115.2R161 R162R161-S164 PolarHBondContact O-N 3.2Å; R162-S164 VanDerWaalsContact C-N 3.28Å; R162-S164 PolarHBondContact O-N 3.26Å
165L49.3Very low63.6Low145 Ų145119.7 Ų119.776%0.75960%0.601SS**G310 helixtrans-95.911.2-167.1-77.3169.1000116.3D163D163-L165 PolarHBondContact O-N 3.44Å
166Q57.2Low66.7Low138 Ų138108.6 Ų108.665%0.64556%0.559SS**  trans-137.232.7-179.4-79.4-155.611.500115.8S168 K431Q166-S168 VanDerWaalsContact C-N 3.3Å; Q166-S168 PolarHBondContact O-N 3.34Å; Q166-K431 WeakPolarHBondContact O-CD 3.47Å; Q166-K431 WeakPolarHBondContact O-CE 3.43Å
167Q78.7Confident69.6Low147 Ų147102.6 Ų102.669%0.68752%0.52SS*.SBendtrans-76.1-13.9177.4-160.5156.60.600114.1L432Q167-L432 HydrophobicContact CG-CD1 4.2Å; Q167-L432 PolarHBondContact O-N 3.27Å
168S92.8Very high72Confident57 Ų5795.1 Ų95.140%0.39948%0.483SS..BIsolated β-bridgetrans-124158.6177.4560000113.8Q166 K431 L432Q166-S168 VanDerWaalsContact C-N 3.3Å; Q166-S168 PolarHBondContact O-N 3.34Å; S168-K431 WeakPolarHBondContact O-CD 3.27Å; S168-L432 CarbonylContact C-O 3.42Å; S168-L432 WeakPolarHBondContact CA-O 3.11Å; S168-L432 WeakPolarHBondContact CB-O 3.3Å
169Y95.6Very high74.4Confident17 Ų1791.9 Ų91.97%0.06745%0.45CS..  trans-70.3148.9165.6-70-77000111.1P295 D359 L429 R430 K431 L432 L433Y169-P295 HydrophobicContact CD1-CG 4.42Å; Y169-P295 HydrophobicContact CD2-CG 4.4Å; Y169-P295 HydrophobicContact CE2-CB 4.46Å; Y169-P295 HydrophobicContact CG-CG 4.21Å; Y169-D359 HydrophobicContact CE1-CB 4.42Å; Y169-D359 WeakPolarHBondContact CE1-OD1 3.42Å; Y169-D359 PolarHBondContact OH-OD1 2.91Å; Y169-L429 HydrophobicContact CE2-CB 4.05Å; Y169-L429 HydrophobicContact CE2-CD1 4.46Å; Y169-L429 HydrophobicContact CE2-CD2 4.07Å; Y169-L429 HydrophobicContact CE2-CG 4.41Å; Y169-R430 PolarHBondContact OH-N 3.23Å; Y169-K431 HydrophobicContact CD1-CB 4.41Å; Y169-K431 HydrophobicContact CD1-CD 4.35Å; Y169-K431 HydrophobicContact CD2-CB 3.8Å; Y169-K431 HydrophobicContact CE1-CB 4.39Å; Y169-K431 HydrophobicContact CE2-CB 3.77Å; Y169-K431 WeakPolarHBondContact CE2-O 3.3Å; Y169-K431 HydrophobicContact CG-CB 4.12Å; Y169-L432 PolarHBondContact N-O 2.78Å; Y169-L433 HydrophobicContact CD2-CB 4.12Å
170K94.2Very high77.5Confident110 Ų11080.2 Ų80.248%0.47841%0.406SS..  trans-65.8130.1162.8-174-175.2176.1-85.30108.3D172 S173 D244K170-D172 WeakPolarHBondContact CE-OD1 3.26Å; K170-D172 WeakPolarHBondContact CE-OD2 3.4Å; K170-D172 IonicContact NZ-OD1 3.04Å; K170-D172 PolarHBondContact NZ-OD1 3.45Å; K170-D172 IonicContact NZ-OD2 3.64Å; K170-S173 PolarHBondContact NZ-OG 3.47Å; K170-S173 VanDerWaalsContact NZ-OG 3.17Å; K170-D244 WeakPolarHBondContact CD-OD1 3.3Å; K170-D244 IonicContact NZ-OD1 3.76Å; K170-D244 PolarHBondContact NZ-OD1 2.92Å; K170-D244 IonicContact NZ-OD2 3.41Å; K170-D244 PolarHBondContact NZ-OD2 3.01Å; K170-D244 WeakPolarHBondContact O-CB 3.47Å
171M94.3Very high80.3Confident20 Ų2073.6 Ų73.610%0.09937%0.366CS..  trans-150.556.2-177.8-70.5-67.5-62.600108.5C176 F215 D244 C245 P295 L433 Y434 F435M171-C176 HydrophobicContact CE-CB 4.35Å; M171-F215 HydrophobicContact CE-CZ 4.19Å; M171-D244 HydrophobicContact SD-CB 4.06Å; M171-C245 HydrophobicContact CE-CB 3.83Å; M171-C245 HydrophobicContact SD-CB 3.75Å; M171-P295 HydrophobicContact SD-CG 4.15Å; M171-L433 HydrophobicContact CE-CD2 4.3Å; M171-Y434 WeakPolarHBondContact CB-O 3.25Å; M171-Y434 WeakPolarHBondContact CG-O 3.14Å; M171-F435 HydrophobicContact CE-CD1 4.18Å
172D92.6Very high83.3Confident97 Ų9764.8 Ų64.852%0.51933%0.333SS..  trans-124.2-6.9-174.663.332.5000113.9K170 D244K170-D172 WeakPolarHBondContact CE-OD1 3.26Å; K170-D172 WeakPolarHBondContact CE-OD2 3.4Å; K170-D172 IonicContact NZ-OD1 3.04Å; K170-D172 PolarHBondContact NZ-OD1 3.45Å; K170-D172 IonicContact NZ-OD2 3.64Å; D172-D244 PolarHBondContact N-OD2 3.22Å
173S94.1Very high86.1Confident18 Ų1854.2 Ų54.213%0.12629%0.293CS..SBendtrans-66.6144177.2-530000110.7K170 P175 C176 D244 Q436K170-S173 PolarHBondContact NZ-OG 3.47Å; K170-S173 VanDerWaalsContact NZ-OG 3.17Å; S173-P175 VanDerWaalsContact C-C 3.5Å; S173-P175 CarbonylContact C-O 3.55Å; S173-P175 CarbonylContact O-C 3.44Å; S173-C176 VanDerWaalsContact O-CA 3.29Å; S173-C176 WeakPolarHBondContact O-CA 3.47Å; S173-C176 PolarHBondContact O-N 2.75Å; S173-D244 VanDerWaalsContact CB-OD2 3.24Å; S173-D244 WeakPolarHBondContact CB-OD2 2.82Å; S173-D244 PolarHBondContact N-OD2 3.04Å; S173-D244 PolarHBondContact OG-OD1 3.19Å; S173-D244 PolarHBondContact OG-OD2 3.41Å; S173-Q436 PolarHBondContact O-OE1 2.92Å
174S92.9Very high88.7Confident97 Ų9748.5 Ų48.568%0.67826%0.262SS*.SBendtrans-121.8109.4179.4-164.90000110.9N214S174-N214 WeakPolarHBondContact CA-ND2 3.3Å; S174-N214 PolarHBondContact OG-ND2 3.02Å; S174-N214 VanDerWaalsContact OG-ND2 3.11Å
175P95.3Very high91.1Very high33 Ų3344.4 Ų44.421%0.21423%0.234CC..SBendcis-69.5160.8-4.431-35.8000112.7S173 G177 N214 T216 Y243S173-P175 VanDerWaalsContact C-C 3.5Å; S173-P175 CarbonylContact C-O 3.55Å; S173-P175 CarbonylContact O-C 3.44Å; P175-G177 PolarHBondContact O-N 2.87Å; P175-N214 CarbonylContact C-O 3.53Å; P175-N214 VanDerWaalsContact CA-O 3.26Å; P175-N214 WeakPolarHBondContact CA-O 3.28Å; P175-N214 WeakPolarHBondContact CB-O 3.43Å; P175-T216 WeakPolarHBondContact CG-OG1 3.44Å; P175-Y243 HydrophobicContact CG-CD1 4.3Å; P175-Y243 HydrophobicContact CG-CE1 3.69Å; P175-Y243 WeakPolarHBondContact O-CD1 3.45Å
176C95.7Very high93.2Very high0 Ų041.1 Ų41.10%022%0.217CC..  trans-61.4-28.4176.4-770000112.6M171 S173 N214 F215 D244 C245 Q436M171-C176 HydrophobicContact CE-CB 4.35Å; S173-C176 VanDerWaalsContact O-CA 3.29Å; S173-C176 WeakPolarHBondContact O-CA 3.47Å; S173-C176 PolarHBondContact O-N 2.75Å; C176-N214 PolarHBondContact N-O 3.07Å; C176-F215 HydrophobicContact CB-CD1 4.38Å; C176-F215 HydrophobicContact CB-CD2 4.42Å; C176-F215 HydrophobicContact CB-CE1 4.09Å; C176-F215 HydrophobicContact CB-CE2 4.14Å; C176-F215 HydrophobicContact CB-CZ 3.97Å; C176-D244 PolarHBondContact O-N 3.37Å; C176-C245 PolarHBondContact O-N 2.97Å; C176-Q436 VanDerWaalsContact SG-CB 3.56Å; C176-Q436 PolarHBondContact SG-OE1 3.19Å
177G97.6Very high94.8Very high0 Ų035.3 Ų35.30%019%0.19CC..EExtended strand (participates in β ladder)trans156.9-162.3173.500000113P175 F215 T216 C245P175-G177 PolarHBondContact O-N 2.87Å; G177-F215 WeakPolarHBondContact O-CA 3.48Å; G177-T216 PolarHBondContact O-N 3.26Å; G177-C245 WeakPolarHBondContact CA-O 3.38Å
178Y98.5Very high95.5Very high42 Ų4230.6 Ų30.617%0.16517%0.168CC..EExtended strand (participates in β ladder)trans-88.1141.9177.9-65.9-63.8000112.2T216 L235 K238 H240 Y243 V247Y178-T216 WeakPolarHBondContact CA-O 3.21Å; Y178-T216 HydrophobicContact CD1-CG2 3.84Å; Y178-T216 HydrophobicContact CE1-CG2 3.92Å; Y178-L235 HydrophobicContact CD2-CD1 4.05Å; Y178-L235 HydrophobicContact CG-CD1 3.97Å; Y178-K238 HydrophobicContact CD2-CD 3.98Å; Y178-K238 HydrophobicContact CE1-CD 4.3Å; Y178-K238 HydrophobicContact CE2-CB 3.99Å; Y178-K238 HydrophobicContact CE2-CD 3.5Å; Y178-K238 VanDerWaalsContact CE2-CD 3.5Å; Y178-K238 HydrophobicContact CE2-CG 4.35Å; Y178-H240 AromaticContact CD2-CE1 3.71Å; Y178-H240 AromaticContact CD2-ND1 3.8Å; Y178-Y243 HydrophobicContact CD2-CD2 4.17Å; Y178-Y243 AromaticContact CD2-CE2 3.95Å; Y178-Y243 HydrophobicContact CD2-CE2 3.95Å; Y178-Y243 HydrophobicContact CE1-CE2 4.49Å; Y178-Y243 AromaticContact CE2-CD2 4Å; Y178-Y243 HydrophobicContact CE2-CD2 4Å; Y178-Y243 AromaticContact CE2-CE2 3.36Å; Y178-Y243 HydrophobicContact CE2-CE2 3.36Å; Y178-Y243 AromaticContact CZ-CE2 3.66Å; Y178-Y243 PolarHBondContact OH-OH 3.42Å; Y178-V247 PolarHBondContact O-N 3.48Å
179C98.7Very high95.3Very high1 Ų133.8 Ų33.81%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-123.7110.8167.4179.70000109.4F210 F215 T216 V217 E218 V247C179-F210 HydrophobicContact CB-CB 4.21Å; C179-F210 HydrophobicContact CB-CG 4.47Å; C179-F215 HydrophobicContact CB-CB 3.87Å; C179-F215 HydrophobicContact CB-CD1 4.29Å; C179-F215 HydrophobicContact CB-CG 4.26Å; C179-T216 PolarHBondContact N-O 2.98Å; C179-V217 HydrophobicContact CB-CG2 4.11Å; C179-V217 CarbonylContact O-C 3.04Å; C179-V217 VanDerWaalsContact O-CA 3.3Å; C179-V217 WeakPolarHBondContact O-CA 3.4Å; C179-E218 PolarHBondContact O-N 2.91Å; C179-V247 WeakPolarHBondContact CA-O 3.43Å; C179-V247 HydrophobicContact CB-CB 3.97Å; C179-V247 HydrophobicContact CB-CG1 4.45Å
180L98.9Very high95.1Very high3 Ų339.3 Ų39.32%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-97.5120.8176.217464.9000109.7I182 E218 K220 E231 L232 L235 V247 V248 I249L180-I182 HydrophobicContact CD1-CG1 4.42Å; L180-I182 HydrophobicContact CD2-CD1 4.24Å; L180-I182 HydrophobicContact CD2-CG1 4.44Å; L180-I182 HydrophobicContact CG-CG1 4.18Å; L180-E218 WeakPolarHBondContact CA-O 3.36Å; L180-E218 HydrophobicContact CD1-CB 4.41Å; L180-E218 HydrophobicContact CD1-CG 4.37Å; L180-E218 WeakPolarHBondContact CD1-O 3.26Å; L180-K220 HydrophobicContact CD1-CG 3.81Å; L180-E231 HydrophobicContact CD2-CB 4.41Å; L180-L232 HydrophobicContact CD2-CD2 4.06Å; L180-L235 HydrophobicContact CB-CD2 3.68Å; L180-L235 HydrophobicContact CD2-CB 4.37Å; L180-L235 HydrophobicContact CD2-CD2 3.9Å; L180-L235 HydrophobicContact CG-CD2 4.46Å; L180-V247 PolarHBondContact N-O 3.33Å; L180-V248 CarbonylContact O-C 3.46Å; L180-V248 WeakPolarHBondContact O-CA 3.46Å; L180-I249 PolarHBondContact O-N 3.48Å
181I98.9Very high94.6Very high0 Ų034.9 Ų34.90%020%0.196CC..EExtended strand (participates in β ladder)trans-108.2115.5176.5-50.7-174.2000108.8L206 E207 V217 E218 V219 K220 I249 L251I181-L206 HydrophobicContact CD1-CB 3.98Å; I181-E207 HydrophobicContact CD1-CB 4.22Å; I181-V217 HydrophobicContact CD1-CG1 3.72Å; I181-V217 HydrophobicContact CG1-CG1 4.01Å; I181-E218 PolarHBondContact N-O 2.86Å; I181-V219 HydrophobicContact CB-CG1 4.48Å; I181-V219 HydrophobicContact CB-CG2 4.26Å; I181-V219 HydrophobicContact CD1-CG2 4.36Å; I181-V219 CarbonylContact O-C 3.59Å; I181-V219 WeakPolarHBondContact O-CA 3.44Å; I181-K220 PolarHBondContact O-N 3.2Å; I181-I249 HydrophobicContact CB-CB 4.41Å; I181-I249 HydrophobicContact CD1-CD1 4.17Å; I181-I249 HydrophobicContact CG1-CB 4.16Å; I181-I249 HydrophobicContact CG1-CD1 4.06Å; I181-I249 HydrophobicContact CG1-CG1 4.31Å; I181-I249 HydrophobicContact CG2-CB 4.24Å; I181-I249 HydrophobicContact CG2-CG2 4.25Å; I181-L251 HydrophobicContact CG2-CD1 4.37Å
182I98.8Very high94.1Very high1 Ų143 Ų431%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-103.2108.8172.6-62.3179.8000108.3L180 K220 L223 I228 L232 I249 M250 L251L180-I182 HydrophobicContact CD1-CG1 4.42Å; L180-I182 HydrophobicContact CD2-CD1 4.24Å; L180-I182 HydrophobicContact CD2-CG1 4.44Å; L180-I182 HydrophobicContact CG-CG1 4.18Å; I182-K220 WeakPolarHBondContact CA-O 3.44Å; I182-K220 HydrophobicContact CG1-CB 4.42Å; I182-L223 HydrophobicContact CD1-CD1 4.18Å; I182-L223 HydrophobicContact CG1-CD1 4.3Å; I182-L223 HydrophobicContact CG2-CB 4.5Å; I182-L223 HydrophobicContact CG2-CD1 4.16Å; I182-L223 HydrophobicContact CG2-CG 4.44Å; I182-I228 HydrophobicContact CD1-CB 4.48Å; I182-I228 HydrophobicContact CD1-CG1 4.46Å; I182-I228 HydrophobicContact CD1-CG2 3.95Å; I182-I228 HydrophobicContact CG2-CD1 4.4Å; I182-I228 HydrophobicContact CG2-CG1 4.17Å; I182-L232 HydrophobicContact CD1-CD2 4.45Å; I182-L232 HydrophobicContact CD1-CG 4.35Å; I182-I249 PolarHBondContact N-O 3.1Å; I182-M250 HydrophobicContact CB-CE 3.92Å; I182-M250 HydrophobicContact CB-SD 3.96Å; I182-M250 HydrophobicContact CD1-CE 4Å; I182-M250 HydrophobicContact CD1-SD 3.93Å; I182-M250 HydrophobicContact CG1-CE 4.49Å; I182-M250 HydrophobicContact CG1-SD 4.25Å; I182-M250 HydrophobicContact CG2-CE 3.97Å; I182-L251 PolarHBondContact O-N 3.23Å
183N98.4Very high93.7Very high2 Ų240.3 Ų40.31%0.01122%0.22CC..EExtended strand (participates in β ladder)trans-110.7100.2-178.2174.133.2000111.2S199 N200 K220 T221 N222 L251N183-S199 WeakPolarHBondContact OD1-CB 3.3Å; N183-S199 PolarHBondContact OD1-O 3.27Å; N183-S199 PolarHBondContact OD1-OG 3.41Å; N183-N200 PolarHBondContact ND2-OD1 2.93Å; N183-K220 PolarHBondContact N-O 3.07Å; N183-T221 HydrophobicContact CB-CG2 4.48Å; N183-T221 CarbonylContact O-C 3.43Å; N183-T221 VanDerWaalsContact O-CA 3.28Å; N183-T221 WeakPolarHBondContact O-CA 3.42Å; N183-N222 PolarHBondContact O-N 2.79Å; N183-L251 HydrophobicContact CB-CD1 4.28Å
184N96.9Very high93.4Very high0 Ų043.4 Ų43.40%024%0.241CC..  trans-95.398.1174.5-74.8-1.6000109.4F187 R196 N222 L223 L251 S252 Y267 T269N184-F187 HydrophobicContact CB-CE1 4.31Å; N184-F187 HydrophobicContact CB-CE2 4.35Å; N184-F187 HydrophobicContact CB-CZ 3.73Å; N184-F187 WeakPolarHBondContact O-CE2 3.39Å; N184-R196 PolarHBondContact O-NH1 2.97Å; N184-N222 WeakPolarHBondContact OD1-CA 3.47Å; N184-N222 PolarHBondContact OD1-N 3.38Å; N184-L223 PolarHBondContact ND2-O 3.03Å; N184-L223 PolarHBondContact OD1-N 3.15Å; N184-L251 PolarHBondContact N-O 2.9Å; N184-S252 WeakPolarHBondContact CB-OG 3.46Å; N184-Y267 PolarHBondContact ND2-O 2.83Å; N184-T269 HydrophobicContact CB-CG2 4.21Å
185A93.5Very high93.1Very high5 Ų542.3 Ų42.34%0.04123%0.228CC..  trans-97.2-42179.600000112.1N195 R196 N200 N222A185-N195 CarbonylContact O-C 3.3Å; A185-N195 VanDerWaalsContact O-CA 3.27Å; A185-N195 WeakPolarHBondContact O-CA 3.42Å; A185-N195 WeakPolarHBondContact O-CB 3.28Å; A185-R196 PolarHBondContact O-N 3.19Å; A185-N200 WeakPolarHBondContact CB-OD1 3.33Å; A185-N222 PolarHBondContact N-OD1 3.1Å
186D93.8Very high92.8Very high76 Ų7641 Ų4141%0.40622%0.218SC..  trans-112.3130.3-177.1-53.3-68.8000111N195 N222 T269D186-N195 WeakPolarHBondContact CB-ND2 3.15Å; D186-N195 PolarHBondContact OD1-ND2 3.01Å; D186-N222 PolarHBondContact N-OD1 3.33Å; D186-N222 PolarHBondContact OD2-ND2 3.42Å; D186-T269 WeakPolarHBondContact O-CG2 3.23Å
187F91.4Very high92.4Very high15 Ų1548.2 Ų48.27%0.06625%0.25CC..  trans-112.8152.5-175-68.7-99.2000110.4N184 L193 N195 R196 S252 H253N184-F187 HydrophobicContact CB-CE1 4.31Å; N184-F187 HydrophobicContact CB-CE2 4.35Å; N184-F187 HydrophobicContact CB-CZ 3.73Å; N184-F187 WeakPolarHBondContact O-CE2 3.39Å; F187-L193 HydrophobicContact CB-CB 3.99Å; F187-L193 HydrophobicContact CD1-CB 3.81Å; F187-L193 HydrophobicContact CD1-CD1 3.57Å; F187-L193 HydrophobicContact CD1-CG 4.35Å; F187-L193 HydrophobicContact CE1-CD1 3.82Å; F187-L193 HydrophobicContact CG-CB 3.87Å; F187-L193 HydrophobicContact CG-CD1 4.48Å; F187-N195 PolarHBondContact N-OD1 2.9Å; F187-R196 HydrophobicContact CE2-CG 3.9Å; F187-S252 WeakPolarHBondContact CZ-OG 3.33Å; F187-H253 AromaticContact CE1-CD2 3.88Å; F187-H253 AromaticContact CE2-CD2 3.6Å; F187-H253 HydrophobicContact CZ-CB 4.5Å; F187-H253 AromaticContact CZ-CD2 3.53Å
188E93.3Very high91.9Very high48 Ų4849 Ų4922%0.22426%0.257CS..  trans-71.9141.3179.8-58.2-167.9130.100110.3Q190 S191 K224 T269E188-Q190 HydrophobicContact CB-CG 4.24Å; E188-Q190 VanDerWaalsContact CB-NE2 3.33Å; E188-Q190 PolarHBondContact O-N 2.79Å; E188-Q190 VanDerWaalsContact O-N 3.09Å; E188-Q190 PolarHBondContact OE2-NE2 3.45Å; E188-S191 VanDerWaalsContact O-CB 3.27Å; E188-S191 WeakPolarHBondContact O-CB 3.39Å; E188-S191 PolarHBondContact O-N 2.68Å; E188-S191 PolarHBondContact O-OG 2.86Å; E188-K224 VanDerWaalsContact OE1-CE 3.24Å; E188-K224 WeakPolarHBondContact OE1-CE 3.34Å; E188-K224 IonicContact OE1-NZ 3.77Å; E188-K224 PolarHBondContact OE1-NZ 2.96Å; E188-K224 IonicContact OE2-NZ 2.83Å; E188-K224 PolarHBondContact OE2-NZ 3.44Å; E188-T269 WeakPolarHBondContact CB-O 3.27Å; E188-T269 WeakPolarHBondContact CG-O 3.32Å; E188-T269 PolarHBondContact N-O 3.31Å
189P89Confident91.5Very high124 Ų12447 Ų4781%0.80525%0.249SC*.G310 helixtrans-55.3-33.2-176.8-28.235.8000114.5S191P189-S191 PolarHBondContact O-N 2.95Å
190Q89.8Confident91.3Very high133 Ų13350.5 Ų50.562%0.62127%0.268SS*.G310 helixtrans-71.3-8.9176.163.2-89.516.300115.2E188 E192E188-Q190 HydrophobicContact CB-CG 4.24Å; E188-Q190 VanDerWaalsContact CB-NE2 3.33Å; E188-Q190 PolarHBondContact O-N 2.79Å; E188-Q190 VanDerWaalsContact O-N 3.09Å; E188-Q190 PolarHBondContact OE2-NE2 3.45Å; Q190-E192 VanDerWaalsContact C-N 3.33Å
191S83.6Confident91.2Very high17 Ų1753 Ų5312%0.11928%0.281CS..G310 helixtrans-81-13179.568.90000113.7E188 P189 L193E188-S191 VanDerWaalsContact O-CB 3.27Å; E188-S191 WeakPolarHBondContact O-CB 3.39Å; E188-S191 PolarHBondContact O-N 2.68Å; E188-S191 PolarHBondContact O-OG 2.86Å; P189-S191 PolarHBondContact O-N 2.95Å; S191-L193 PolarHBondContact O-N 2.83Å; S191-L193 PolarHBondContact OG-N 2.89Å
192E85.2Confident91Very high191 Ų19153 Ų5389%0.89328%0.281SS*.  trans59.73-169.4-53.4-172.3169.400114.8Q190Q190-E192 VanDerWaalsContact C-N 3.33Å
193L83.7Confident90.9Very high41 Ų4153.2 Ų53.222%0.21528%0.283CS..PPolyproline II helixtrans-86.9142.7177.7-62.8173.1000111.8F187 S191 H253 Y267F187-L193 HydrophobicContact CB-CB 3.99Å; F187-L193 HydrophobicContact CD1-CB 3.81Å; F187-L193 HydrophobicContact CD1-CD1 3.57Å; F187-L193 HydrophobicContact CD1-CG 4.35Å; F187-L193 HydrophobicContact CE1-CD1 3.82Å; F187-L193 HydrophobicContact CG-CB 3.87Å; F187-L193 HydrophobicContact CG-CD1 4.48Å; S191-L193 PolarHBondContact O-N 2.83Å; S191-L193 PolarHBondContact OG-N 2.89Å; L193-H253 HydrophobicContact CD1-CB 4.42Å; L193-H253 HydrophobicContact CD2-CB 4.25Å; L193-Y267 HydrophobicContact CD1-CD1 3.89Å; L193-Y267 HydrophobicContact CD1-CD2 3.96Å; L193-Y267 HydrophobicContact CD1-CE1 4.5Å; L193-Y267 HydrophobicContact CD1-CG 3.6Å; L193-Y267 HydrophobicContact CD2-CD2 4.29Å; L193-Y267 HydrophobicContact CD2-CE2 4.28Å
194S86.9Confident90.9Very high82 Ų8258.2 Ų58.257%0.57331%0.306SS*.PPolyproline II helixtrans-90.2146.8-179.258.70000113.2R196 H253S194-R196 PolarHBondContact O-N 2.84Å; S194-H253 PolarHBondContact O-NE2 2.78Å
195N88.4Confident91Very high75 Ų7559.5 Ų59.540%0.40131%0.312SS..PPolyproline II helixtrans-65.6133.7179.5-64.820.3000112.3A185 D186 F187 K197A185-N195 CarbonylContact O-C 3.3Å; A185-N195 VanDerWaalsContact O-CA 3.27Å; A185-N195 WeakPolarHBondContact O-CA 3.42Å; A185-N195 WeakPolarHBondContact O-CB 3.28Å; D186-N195 WeakPolarHBondContact CB-ND2 3.15Å; D186-N195 PolarHBondContact OD1-ND2 3.01Å; F187-N195 PolarHBondContact N-OD1 2.9Å; N195-K197 VanDerWaalsContact C-N 3.33Å; N195-K197 PolarHBondContact O-N 3.25Å; N195-K197 VanDerWaalsContact O-N 3.08Å
196R88.9Confident91.2Very high5 Ų559.3 Ų59.32%0.01931%0.31CS..  trans-8861.7-174.1-64.917460.6-93.3-3.3111.8N184 A185 F187 S194 G198 S199 L251 S252 H253N184-R196 PolarHBondContact O-NH1 2.97Å; A185-R196 PolarHBondContact O-N 3.19Å; F187-R196 HydrophobicContact CE2-CG 3.9Å; S194-R196 PolarHBondContact O-N 2.84Å; R196-G198 PolarHBondContact O-N 3.11Å; R196-S199 PolarHBondContact NH1-OG 2.99Å; R196-S199 PolarHBondContact NH2-OG 3.49Å; R196-S199 VanDerWaalsContact O-CB 3.23Å; R196-S199 WeakPolarHBondContact O-CB 3.38Å; R196-S199 PolarHBondContact O-N 3.15Å; R196-L251 PolarHBondContact NH1-O 2.97Å; R196-S252 VanDerWaalsContact CD-C 3.41Å; R196-S252 VanDerWaalsContact CZ-CA 3.48Å; R196-S252 PolarHBondContact NE-O 2.65Å; R196-H253 WeakPolarHBondContact CG-NE2 3.47Å
197K85.4Confident91.4Very high152 Ų15259 Ų5966%0.66131%0.306SS*.THydrogen-bonded Turntrans-48.7126.3177.6-67.2-175.7177.8-178.50112N195 R374 T376N195-K197 VanDerWaalsContact C-N 3.33Å; N195-K197 PolarHBondContact O-N 3.25Å; N195-K197 VanDerWaalsContact O-N 3.08Å; K197-R374 PolarHBondContact O-NH1 3.5Å; K197-T376 HydrophobicContact CB-CG2 4.23Å
198G87.1Confident91.7Very high15 Ų1565 Ų6516%0.15533%0.328CS..THydrogen-bonded Turntrans97.4-14-174.100000114.7R196 N200 I201 D202R196-G198 PolarHBondContact O-N 3.11Å; G198-N200 PolarHBondContact O-N 2.84Å; G198-I201 VanDerWaalsContact O-CB 3.3Å; G198-I201 WeakPolarHBondContact O-CB 3.26Å; G198-I201 PolarHBondContact O-N 2.95Å; G198-D202 PolarHBondContact O-N 3.38Å
199S91.6Very high92Very high0 Ų063.1 Ų63.10%032%0.319CS..Hα-helixtrans-65-21.3177.1-167.90000114N183 R196 I201 D202 S203N183-S199 WeakPolarHBondContact OD1-CB 3.3Å; N183-S199 PolarHBondContact OD1-O 3.27Å; N183-S199 PolarHBondContact OD1-OG 3.41Å; R196-S199 PolarHBondContact NH1-OG 2.99Å; R196-S199 PolarHBondContact NH2-OG 3.49Å; R196-S199 VanDerWaalsContact O-CB 3.23Å; R196-S199 WeakPolarHBondContact O-CB 3.38Å; R196-S199 PolarHBondContact O-N 3.15Å; S199-I201 VanDerWaalsContact C-N 3.31Å; S199-D202 WeakPolarHBondContact O-CB 3.36Å; S199-D202 PolarHBondContact O-N 3.05Å; S199-S203 PolarHBondContact O-N 2.9Å
200N94.7Very high92.4Very high76 Ų7657.2 Ų57.241%0.40628%0.281SS..Hα-helixtrans-68.4-34.5172.1-63.6-2.9000111.2N183 A185 G198 D202 S203 E204N183-N200 PolarHBondContact ND2-OD1 2.93Å; A185-N200 WeakPolarHBondContact CB-OD1 3.33Å; G198-N200 PolarHBondContact O-N 2.84Å; N200-D202 VanDerWaalsContact C-N 3.35Å; N200-S203 WeakPolarHBondContact O-CB 3.49Å; N200-S203 PolarHBondContact O-N 2.8Å; N200-E204 WeakPolarHBondContact O-CB 3.44Å; N200-E204 VanDerWaalsContact O-CG 3.26Å; N200-E204 WeakPolarHBondContact O-CG 3.18Å; N200-E204 PolarHBondContact O-N 3.14Å
201I95.1Very high92.7Very high54 Ų5455.2 Ų55.228%0.27727%0.274SS..Hα-helixtrans-66.1-41.2175.9-50.2179.9000109.9G198 S199 E204 K205 K377G198-I201 VanDerWaalsContact O-CB 3.3Å; G198-I201 WeakPolarHBondContact O-CB 3.26Å; G198-I201 PolarHBondContact O-N 2.95Å; S199-I201 VanDerWaalsContact C-N 3.31Å; I201-E204 PolarHBondContact O-N 2.95Å; I201-K205 WeakPolarHBondContact O-CB 3.4Å; I201-K205 WeakPolarHBondContact O-CG 3.42Å; I201-K205 PolarHBondContact O-N 2.83Å; I201-K377 WeakPolarHBondContact CD1-O 3.29Å
202D95.1Very high93.4Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-59.8-45.3171.3-68.7-20.4000111.4G198 S199 N200 K205 L206 L251 G379 S380 I383G198-D202 PolarHBondContact O-N 3.38Å; S199-D202 WeakPolarHBondContact O-CB 3.36Å; S199-D202 PolarHBondContact O-N 3.05Å; N200-D202 VanDerWaalsContact C-N 3.35Å; D202-K205 PolarHBondContact O-N 3.42Å; D202-L206 VanDerWaalsContact O-CG 3.31Å; D202-L206 WeakPolarHBondContact O-CG 3.35Å; D202-L206 PolarHBondContact O-N 2.97Å; D202-L251 HydrophobicContact CB-CD1 3.98Å; D202-G379 WeakPolarHBondContact OD1-CA 3.31Å; D202-S380 VanDerWaalsContact CG-N 3.34Å; D202-S380 PolarHBondContact OD1-N 2.87Å; D202-S380 PolarHBondContact OD1-OG 2.97Å; D202-S380 WeakPolarHBondContact OD2-CB 3.44Å; D202-S380 PolarHBondContact OD2-N 3.45Å; D202-S380 VanDerWaalsContact OD2-N 3.08Å; D202-S380 PolarHBondContact OD2-OG 3.24Å; D202-I383 HydrophobicContact CB-CB 4.11Å; D202-I383 HydrophobicContact CB-CG1 4.27Å; D202-I383 HydrophobicContact CB-CG2 3.75Å
203S97.8Very high93.9Very high6 Ų647.7 Ų47.74%0.04225%0.245CC..Hα-helixtrans-62.3-44.8177.7-163.80000112.4S199 N200 L206 E207S199-S203 PolarHBondContact O-N 2.9Å; N200-S203 WeakPolarHBondContact O-CB 3.49Å; N200-S203 PolarHBondContact O-N 2.8Å; S203-L206 PolarHBondContact O-N 3.44Å; S203-E207 VanDerWaalsContact O-CB 3.29Å; S203-E207 WeakPolarHBondContact O-CB 3.18Å; S203-E207 PolarHBondContact O-N 2.95Å
204E98.1Very high94.5Very high108 Ų10847.3 Ų47.351%0.50524%0.243SC..Hα-helixtrans-69.8-31.5179-71.8163.6-150.400112.7N200 I201 R208N200-E204 WeakPolarHBondContact O-CB 3.44Å; N200-E204 VanDerWaalsContact O-CG 3.26Å; N200-E204 WeakPolarHBondContact O-CG 3.18Å; N200-E204 PolarHBondContact O-N 3.14Å; I201-E204 PolarHBondContact O-N 2.95Å; E204-R208 VanDerWaalsContact O-CG 3.3Å; E204-R208 WeakPolarHBondContact O-CG 3.4Å; E204-R208 PolarHBondContact O-N 2.75Å; E204-R208 PolarHBondContact O-NE 2.86Å
205K98Very high95Very high27 Ų2743.7 Ų43.712%0.11722%0.217CC..Hα-helixtrans-63-54.1169.3-79.9173.5168.8175.60110.4I201 D202 R208 R209 A378 E384 D387I201-K205 WeakPolarHBondContact O-CB 3.4Å; I201-K205 WeakPolarHBondContact O-CG 3.42Å; I201-K205 PolarHBondContact O-N 2.83Å; D202-K205 PolarHBondContact O-N 3.42Å; K205-R208 PolarHBondContact O-N 2.82Å; K205-R209 WeakPolarHBondContact O-CB 3.23Å; K205-R209 PolarHBondContact O-N 2.83Å; K205-A378 PolarHBondContact NZ-O 3.25Å; K205-E384 IonicContact NZ-OE1 2.82Å; K205-E384 PolarHBondContact NZ-OE1 2.91Å; K205-D387 HydrophobicContact CB-CB 4.19Å; K205-D387 WeakPolarHBondContact CB-OD2 3.34Å; K205-D387 WeakPolarHBondContact CG-OD2 3.3Å
206L98.3Very high95.4Very high1 Ų142.9 Ų42.91%0.00522%0.215CC..Hα-helixtrans-68.3-36.6-177.2-64.1170.1000113.2I181 D202 S203 R209 F210 I249 L251 I383 L386I181-L206 HydrophobicContact CD1-CB 3.98Å; D202-L206 VanDerWaalsContact O-CG 3.31Å; D202-L206 WeakPolarHBondContact O-CG 3.35Å; D202-L206 PolarHBondContact O-N 2.97Å; S203-L206 PolarHBondContact O-N 3.44Å; L206-R209 PolarHBondContact O-N 3.06Å; L206-F210 HydrophobicContact CD2-CE2 4.3Å; L206-F210 WeakPolarHBondContact O-CD2 3.27Å; L206-F210 PolarHBondContact O-N 2.6Å; L206-I249 HydrophobicContact CB-CD1 4.1Å; L206-I249 HydrophobicContact CD1-CD1 4.13Å; L206-I249 HydrophobicContact CD1-CG2 3.62Å; L206-I249 HydrophobicContact CD2-CD1 4.47Å; L206-I249 HydrophobicContact CG-CD1 4.46Å; L206-L251 HydrophobicContact CD1-CD1 4.28Å; L206-L251 HydrophobicContact CD1-CD2 3.86Å; L206-I383 HydrophobicContact CD1-CD1 3.68Å; L206-I383 HydrophobicContact CD1-CG1 4.18Å; L206-I383 HydrophobicContact CD1-CG2 3.76Å; L206-I383 HydrophobicContact CD2-CD1 4.32Å; L206-I383 HydrophobicContact CD2-CG2 3.95Å; L206-I383 HydrophobicContact CG-CD1 4.46Å; L206-I383 HydrophobicContact CG-CG2 3.66Å; L206-L386 HydrophobicContact CD2-CD2 4.28Å
207E98.6Very high95.9Very high70 Ų7043.8 Ų43.833%0.32722%0.221SC..Hα-helixtrans-59.7-51.8174.8177.1170.9-146.600110.9I181 S203 R209 F210 L211 V217 V219I181-E207 HydrophobicContact CD1-CB 4.22Å; S203-E207 VanDerWaalsContact O-CB 3.29Å; S203-E207 WeakPolarHBondContact O-CB 3.18Å; S203-E207 PolarHBondContact O-N 2.95Å; E207-R209 VanDerWaalsContact C-N 3.31Å; E207-R209 PolarHBondContact O-N 3.29Å; E207-F210 PolarHBondContact O-N 3.02Å; E207-L211 HydrophobicContact CG-CD1 3.96Å; E207-L211 WeakPolarHBondContact O-CB 3.35Å; E207-L211 VanDerWaalsContact O-CG 3.23Å; E207-L211 WeakPolarHBondContact O-CG 3.13Å; E207-L211 PolarHBondContact O-N 3.17Å; E207-V217 HydrophobicContact CB-CG1 4.37Å; E207-V217 HydrophobicContact CG-CG1 4.07Å; E207-V219 HydrophobicContact CB-CG2 4.23Å; E207-V219 HydrophobicContact CG-CG2 4.1Å; E207-V219 WeakPolarHBondContact OE1-CG2 3.34Å
208R98.2Very high96.5Very high139 Ų13939.6 Ų39.653%0.52520%0.204SC..Hα-helixtrans-59-42.5175.2-70.1-179-59.7112.72.3111.9E204 K205 A212E204-R208 VanDerWaalsContact O-CG 3.3Å; E204-R208 WeakPolarHBondContact O-CG 3.4Å; E204-R208 PolarHBondContact O-N 2.75Å; E204-R208 PolarHBondContact O-NE 2.86Å; K205-R208 PolarHBondContact O-N 2.82Å; R208-A212 WeakPolarHBondContact O-CB 3.39Å; R208-A212 PolarHBondContact O-N 3.3Å
209R97.8Very high97.1Very high9 Ų941 Ų413%0.03421%0.209CC..Hα-helixtrans-59.4-54.9178.3-177.652.555.2-143.1-18.8112.2K205 L206 E207 L211 A212 L213 D387 L390 E391K205-R209 WeakPolarHBondContact O-CB 3.23Å; K205-R209 PolarHBondContact O-N 2.83Å; L206-R209 PolarHBondContact O-N 3.06Å; E207-R209 VanDerWaalsContact C-N 3.31Å; E207-R209 PolarHBondContact O-N 3.29Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 3.31Å; R209-A212 PolarHBondContact O-N 3.14Å; R209-A212 VanDerWaalsContact O-N 3.16Å; R209-L213 HydrophobicContact CG-CD1 4.04Å; R209-L213 WeakPolarHBondContact O-CG 3.41Å; R209-L213 PolarHBondContact O-N 2.93Å; R209-D387 IonicContact CZ-OD1 3.08Å; R209-D387 VanDerWaalsContact CZ-OD1 3.27Å; R209-D387 PolarHBondContact NE-O 3.5Å; R209-D387 IonicContact NE-OD1 3.91Å; R209-D387 PolarHBondContact NE-OD1 2.68Å; R209-D387 IonicContact NH2-OD1 3.77Å; R209-D387 PolarHBondContact NH2-OD1 2.73Å; R209-L390 HydrophobicContact CG-CB 4.06Å; R209-L390 HydrophobicContact CG-CD1 3.86Å; R209-E391 IonicContact CZ-OE1 2.66Å; R209-E391 IonicContact CZ-OE2 2.85Å; R209-E391 VanDerWaalsContact CZ-OE2 3.3Å; R209-E391 IonicContact NH1-OE1 2.74Å; R209-E391 PolarHBondContact NH1-OE1 3.3Å; R209-E391 IonicContact NH1-OE2 3.68Å; R209-E391 PolarHBondContact NH1-OE2 3.25Å; R209-E391 VanDerWaalsContact NH1-OE2 3.08Å; R209-E391 VanDerWaalsContact NH2-CD 3.32Å; R209-E391 IonicContact NH2-OE1 3.31Å; R209-E391 IonicContact NH2-OE2 2.63Å; R209-E391 PolarHBondContact NH2-OE2 3.02Å
210F97.9Very high97.4Very high0 Ų043.1 Ų43.10%022%0.218CC..Hα-helixtrans-73.1-26.3-175-79.5-83.2000112.7C179 L206 E207 L213 N214 F215 V217 V247 I249 F299 F435C179-F210 HydrophobicContact CB-CB 4.21Å; C179-F210 HydrophobicContact CB-CG 4.47Å; L206-F210 HydrophobicContact CD2-CE2 4.3Å; L206-F210 WeakPolarHBondContact O-CD2 3.27Å; L206-F210 PolarHBondContact O-N 2.6Å; E207-F210 PolarHBondContact O-N 3.02Å; F210-L213 HydrophobicContact CD1-CD1 4.5Å; F210-L213 HydrophobicContact CE1-CD1 4.49Å; F210-L213 CarbonylContact O-C 3.59Å; F210-L213 PolarHBondContact O-N 3.46Å; F210-N214 PolarHBondContact O-N 3.17Å; F210-F215 HydrophobicContact CB-CB 4.33Å; F210-F215 AromaticContact CD1-CD2 3.76Å; F210-F215 HydrophobicContact CD1-CD2 3.76Å; F210-F215 HydrophobicContact CD1-CE2 4.02Å; F210-F215 HydrophobicContact CD1-CG 4.2Å; F210-F215 HydrophobicContact CE1-CE2 4.44Å; F210-F215 WeakPolarHBondContact O-CB 3.42Å; F210-F215 PolarHBondContact O-N 3.45Å; F210-V217 HydrophobicContact CB-CG2 3.72Å; F210-V247 HydrophobicContact CD1-CG1 4.37Å; F210-V247 HydrophobicContact CD1-CG2 4.31Å; F210-V247 HydrophobicContact CE1-CB 4.47Å; F210-V247 HydrophobicContact CE1-CG1 3.92Å; F210-V247 HydrophobicContact CE1-CG2 3.98Å; F210-V247 HydrophobicContact CZ-CG1 4.13Å; F210-I249 HydrophobicContact CD2-CD1 3.68Å; F210-I249 HydrophobicContact CE2-CD1 3.49Å; F210-I249 VanDerWaalsContact CE2-CD1 3.49Å; F210-I249 HydrophobicContact CZ-CD1 4.25Å; F210-F299 HydrophobicContact CE1-CE2 4.43Å; F210-F299 HydrophobicContact CZ-CD2 4.33Å; F210-F299 AromaticContact CZ-CE2 3.79Å; F210-F299 HydrophobicContact CZ-CE2 3.79Å; F210-F299 HydrophobicContact CZ-CZ 4.2Å; F210-F435 HydrophobicContact CE1-CE1 4.36Å; F210-F435 HydrophobicContact CE1-CZ 4.41Å
211L97.3Very high97.6Very high92 Ų9243.5 Ų43.548%0.48222%0.224SC..Hα-helixtrans-62.9-45165.8-72170000111.8E207 R209 L213 N214 V217E207-L211 HydrophobicContact CG-CD1 3.96Å; E207-L211 WeakPolarHBondContact O-CB 3.35Å; E207-L211 VanDerWaalsContact O-CG 3.23Å; E207-L211 WeakPolarHBondContact O-CG 3.13Å; E207-L211 PolarHBondContact O-N 3.17Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 3.31Å; L211-L213 VanDerWaalsContact C-N 3.3Å; L211-L213 PolarHBondContact O-N 2.92Å; L211-N214 PolarHBondContact O-N 2.99Å; L211-N214 VanDerWaalsContact O-N 3.07Å; L211-V217 HydrophobicContact CD2-CB 4.1Å; L211-V217 HydrophobicContact CD2-CG2 3.89Å; L211-V217 HydrophobicContact CG-CB 4.2Å; L211-V217 HydrophobicContact CG-CG2 3.75Å
212A96.4Very high97.7Very high46 Ų4643.5 Ų43.538%0.3822%0.224SC..Hα-helixtrans-65.4-31.6177.400000113.2R208 R209 N214 S438R208-A212 WeakPolarHBondContact O-CB 3.39Å; R208-A212 PolarHBondContact O-N 3.3Å; R209-A212 PolarHBondContact O-N 3.14Å; R209-A212 VanDerWaalsContact O-N 3.16Å; A212-N214 PolarHBondContact O-N 3.2Å; A212-S438 PolarHBondContact O-OG 3.44Å
213L96.2Very high97.9Very high3 Ų344.2 Ų44.22%0.01623%0.228CC..THydrogen-bonded Turntrans-81.820.5171.7-58.2176.4000113.4R209 F210 L211 F215 A394 F435 Q436 T437R209-L213 HydrophobicContact CG-CD1 4.04Å; R209-L213 WeakPolarHBondContact O-CG 3.41Å; R209-L213 PolarHBondContact O-N 2.93Å; F210-L213 HydrophobicContact CD1-CD1 4.5Å; F210-L213 HydrophobicContact CE1-CD1 4.49Å; F210-L213 CarbonylContact O-C 3.59Å; F210-L213 PolarHBondContact O-N 3.46Å; L211-L213 VanDerWaalsContact C-N 3.3Å; L211-L213 PolarHBondContact O-N 2.92Å; L213-F215 HydrophobicContact CB-CD2 4.03Å; L213-F215 HydrophobicContact CB-CE2 4.12Å; L213-F215 WeakPolarHBondContact O-CD2 3.41Å; L213-F215 WeakPolarHBondContact O-CE2 3.44Å; L213-F215 PolarHBondContact O-N 2.95Å; L213-A394 HydrophobicContact CD2-CB 3.75Å; L213-F435 HydrophobicContact CD1-CB 4.43Å; L213-F435 HydrophobicContact CD1-CD1 4.28Å; L213-F435 HydrophobicContact CD1-CD2 4.08Å; L213-F435 HydrophobicContact CD1-CE2 4.39Å; L213-F435 HydrophobicContact CD1-CG 4.03Å; L213-F435 HydrophobicContact CD2-CB 3.91Å; L213-F435 HydrophobicContact CD2-CG 4.4Å; L213-Q436 CarbonylContact C-O 3.51Å; L213-Q436 WeakPolarHBondContact CA-O 3.48Å; L213-T437 HydrophobicContact CD2-CG2 4.03Å
214N96.3Very high97.9Very high33 Ų3347.5 Ų47.518%0.17624%0.241CC..THydrogen-bonded Turntrans61.532.8174-160.925.2000115.8S174 P175 C176 F210 L211 A212 Q436S174-N214 WeakPolarHBondContact CA-ND2 3.3Å; S174-N214 PolarHBondContact OG-ND2 3.02Å; S174-N214 VanDerWaalsContact OG-ND2 3.11Å; P175-N214 CarbonylContact C-O 3.53Å; P175-N214 VanDerWaalsContact CA-O 3.26Å; P175-N214 WeakPolarHBondContact CA-O 3.28Å; P175-N214 WeakPolarHBondContact CB-O 3.43Å; C176-N214 PolarHBondContact N-O 3.07Å; F210-N214 PolarHBondContact O-N 3.17Å; L211-N214 PolarHBondContact O-N 2.99Å; L211-N214 VanDerWaalsContact O-N 3.07Å; A212-N214 PolarHBondContact O-N 3.2Å; N214-Q436 PolarHBondContact ND2-OE1 2.92Å
215F97.7Very high97.9Very high6 Ų643.9 Ų43.93%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-95.3148.6171.5-69.7-98.4000112.4M171 C176 G177 C179 F210 L213 V217 C245 V247 F435M171-F215 HydrophobicContact CE-CZ 4.19Å; C176-F215 HydrophobicContact CB-CD1 4.38Å; C176-F215 HydrophobicContact CB-CD2 4.42Å; C176-F215 HydrophobicContact CB-CE1 4.09Å; C176-F215 HydrophobicContact CB-CE2 4.14Å; C176-F215 HydrophobicContact CB-CZ 3.97Å; G177-F215 WeakPolarHBondContact O-CA 3.48Å; C179-F215 HydrophobicContact CB-CB 3.87Å; C179-F215 HydrophobicContact CB-CD1 4.29Å; C179-F215 HydrophobicContact CB-CG 4.26Å; F210-F215 HydrophobicContact CB-CB 4.33Å; F210-F215 AromaticContact CD1-CD2 3.76Å; F210-F215 HydrophobicContact CD1-CD2 3.76Å; F210-F215 HydrophobicContact CD1-CE2 4.02Å; F210-F215 HydrophobicContact CD1-CG 4.2Å; F210-F215 HydrophobicContact CE1-CE2 4.44Å; F210-F215 WeakPolarHBondContact O-CB 3.42Å; F210-F215 PolarHBondContact O-N 3.45Å; L213-F215 HydrophobicContact CB-CD2 4.03Å; L213-F215 HydrophobicContact CB-CE2 4.12Å; L213-F215 WeakPolarHBondContact O-CD2 3.41Å; L213-F215 WeakPolarHBondContact O-CE2 3.44Å; L213-F215 PolarHBondContact O-N 2.95Å; F215-V217 HydrophobicContact CB-CG2 4.44Å; F215-V217 PolarHBondContact O-N 3.11Å; F215-C245 HydrophobicContact CE1-CB 3.91Å; F215-C245 HydrophobicContact CZ-CB 4.13Å; F215-V247 HydrophobicContact CD1-CG2 4Å; F215-V247 HydrophobicContact CE1-CG2 3.5Å; F215-V247 VanDerWaalsContact CE1-CG2 3.5Å; F215-V247 HydrophobicContact CZ-CG2 3.87Å; F215-F435 AromaticContact CE2-CD1 3.89Å; F215-F435 HydrophobicContact CE2-CD1 3.89Å; F215-F435 HydrophobicContact CE2-CE1 4.01Å; F215-F435 HydrophobicContact CZ-CD1 4.18Å; F215-F435 HydrophobicContact CZ-CE1 4.05Å
216T97.9Very high97.9Very high58 Ų5852.3 Ų52.336%0.35626%0.256SS..EExtended strand (participates in β ladder)trans-76.9100.6161.8-60.10000108.7P175 G177 Y178 C179P175-T216 WeakPolarHBondContact CG-OG1 3.44Å; G177-T216 PolarHBondContact O-N 3.26Å; Y178-T216 WeakPolarHBondContact CA-O 3.21Å; Y178-T216 HydrophobicContact CD1-CG2 3.84Å; Y178-T216 HydrophobicContact CE1-CG2 3.92Å; C179-T216 PolarHBondContact N-O 2.98Å
217V98.6Very high97.9Very high24 Ų2456.4 Ų56.415%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-84.6134.5179.8-172.80000111C179 I181 E207 F210 L211 F215 V219C179-V217 HydrophobicContact CB-CG2 4.11Å; C179-V217 CarbonylContact O-C 3.04Å; C179-V217 VanDerWaalsContact O-CA 3.3Å; C179-V217 WeakPolarHBondContact O-CA 3.4Å; I181-V217 HydrophobicContact CD1-CG1 3.72Å; I181-V217 HydrophobicContact CG1-CG1 4.01Å; E207-V217 HydrophobicContact CB-CG1 4.37Å; E207-V217 HydrophobicContact CG-CG1 4.07Å; F210-V217 HydrophobicContact CB-CG2 3.72Å; L211-V217 HydrophobicContact CD2-CB 4.1Å; L211-V217 HydrophobicContact CD2-CG2 3.89Å; L211-V217 HydrophobicContact CG-CB 4.2Å; L211-V217 HydrophobicContact CG-CG2 3.75Å; F215-V217 HydrophobicContact CB-CG2 4.44Å; F215-V217 PolarHBondContact O-N 3.11Å; V217-V219 HydrophobicContact CG1-CG2 4.05Å
218E98.6Very high97.9Very high64 Ų6453 Ų5330%0.29926%0.259SS..EExtended strand (participates in β ladder)trans-127111.4173.4-175.3171.3-179.100108.3C179 L180 I181 K220 K238C179-E218 PolarHBondContact O-N 2.91Å; L180-E218 WeakPolarHBondContact CA-O 3.36Å; L180-E218 HydrophobicContact CD1-CB 4.41Å; L180-E218 HydrophobicContact CD1-CG 4.37Å; L180-E218 WeakPolarHBondContact CD1-O 3.26Å; I181-E218 PolarHBondContact N-O 2.86Å; E218-K220 WeakPolarHBondContact OE1-CE 3.4Å; E218-K220 IonicContact OE1-NZ 3.27Å; E218-K220 PolarHBondContact OE1-NZ 2.91Å; E218-K238 IonicContact OE2-NZ 3.97Å; E218-K238 PolarHBondContact OE2-NZ 2.87Å
219V98.8Very high97.9Very high46 Ų4652 Ų5228%0.27926%0.255SS..EExtended strand (participates in β ladder)trans-96.6131.9179.5-173.10000110.5I181 E207 V217 T221I181-V219 HydrophobicContact CB-CG1 4.48Å; I181-V219 HydrophobicContact CB-CG2 4.26Å; I181-V219 HydrophobicContact CD1-CG2 4.36Å; I181-V219 CarbonylContact O-C 3.59Å; I181-V219 WeakPolarHBondContact O-CA 3.44Å; E207-V219 HydrophobicContact CB-CG2 4.23Å; E207-V219 HydrophobicContact CG-CG2 4.1Å; E207-V219 WeakPolarHBondContact OE1-CG2 3.34Å; V217-V219 HydrophobicContact CG1-CG2 4.05Å; V219-T221 HydrophobicContact CG1-CG2 4.42Å
220K98.7Very high97.9Very high43 Ų4357.6 Ų57.619%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-123.7132.8173.8-54.7-73.7168.2145.40109.1L180 I181 I182 N183 E218 L223 E231L180-K220 HydrophobicContact CD1-CG 3.81Å; I181-K220 PolarHBondContact O-N 3.2Å; I182-K220 WeakPolarHBondContact CA-O 3.44Å; I182-K220 HydrophobicContact CG1-CB 4.42Å; N183-K220 PolarHBondContact N-O 3.07Å; E218-K220 WeakPolarHBondContact OE1-CE 3.4Å; E218-K220 IonicContact OE1-NZ 3.27Å; E218-K220 PolarHBondContact OE1-NZ 2.91Å; K220-L223 HydrophobicContact CB-CD1 3.73Å; K220-L223 HydrophobicContact CB-CD2 4.32Å; K220-L223 HydrophobicContact CB-CG 4.05Å; K220-L223 HydrophobicContact CG-CD1 4.33Å; K220-E231 HydrophobicContact CD-CG 4.34Å; K220-E231 WeakPolarHBondContact CE-OE2 3.26Å; K220-E231 HydrophobicContact CG-CG 4.33Å; K220-E231 IonicContact NZ-OE1 2.69Å; K220-E231 PolarHBondContact NZ-OE1 2.73Å; K220-E231 IonicContact NZ-OE2 2.86Å; K220-E231 PolarHBondContact NZ-OE2 2.92Å
221T98.3Very high98Very high84 Ų8459.5 Ų59.552%0.51529%0.29SS..EExtended strand (participates in β ladder)trans-113.4145.3-177.151.80000112.5N183 V219 L223N183-T221 HydrophobicContact CB-CG2 4.48Å; N183-T221 CarbonylContact O-C 3.43Å; N183-T221 VanDerWaalsContact O-CA 3.28Å; N183-T221 WeakPolarHBondContact O-CA 3.42Å; V219-T221 HydrophobicContact CG1-CG2 4.42Å; T221-L223 VanDerWaalsContact C-N 3.34Å; T221-L223 PolarHBondContact O-N 2.98Å
222N97.9Very high98Very high54 Ų5455.1 Ų55.129%0.28927%0.267SS..SBendtrans51.943167.9-64.5-17.6000115.1N183 N184 A185 D186 T269N183-N222 PolarHBondContact O-N 2.79Å; N184-N222 WeakPolarHBondContact OD1-CA 3.47Å; N184-N222 PolarHBondContact OD1-N 3.38Å; A185-N222 PolarHBondContact N-OD1 3.1Å; D186-N222 PolarHBondContact N-OD1 3.33Å; D186-N222 PolarHBondContact OD2-ND2 3.42Å; N222-T269 VanDerWaalsContact CA-CG2 3.47Å; N222-T269 HydrophobicContact CB-CG2 3.94Å; N222-T269 WeakPolarHBondContact O-CG2 3.18Å; N222-T269 PolarHBondContact O-OG1 3.36Å; N222-T269 VanDerWaalsContact O-OG1 3.13Å
223L98.5Very high98.1Very high15 Ų1554.2 Ų54.28%0.07926%0.258CS..  trans-78.9135.1-178.9-61.7-169.9000113.2I182 N184 K220 T221 Q227 I228 E231 G268 T269I182-L223 HydrophobicContact CD1-CD1 4.18Å; I182-L223 HydrophobicContact CG1-CD1 4.3Å; I182-L223 HydrophobicContact CG2-CB 4.5Å; I182-L223 HydrophobicContact CG2-CD1 4.16Å; I182-L223 HydrophobicContact CG2-CG 4.44Å; N184-L223 PolarHBondContact ND2-O 3.03Å; N184-L223 PolarHBondContact OD1-N 3.15Å; K220-L223 HydrophobicContact CB-CD1 3.73Å; K220-L223 HydrophobicContact CB-CD2 4.32Å; K220-L223 HydrophobicContact CB-CG 4.05Å; K220-L223 HydrophobicContact CG-CD1 4.33Å; T221-L223 VanDerWaalsContact C-N 3.34Å; T221-L223 PolarHBondContact O-N 2.98Å; L223-Q227 HydrophobicContact CB-CB 4.06Å; L223-Q227 HydrophobicContact CD1-CB 4.43Å; L223-Q227 HydrophobicContact CD2-CB 4.09Å; L223-Q227 HydrophobicContact CG-CB 4.43Å; L223-I228 HydrophobicContact CB-CD1 4.46Å; L223-I228 HydrophobicContact CB-CG1 3.63Å; L223-I228 HydrophobicContact CD1-CG1 4.22Å; L223-E231 HydrophobicContact CD1-CB 4.46Å; L223-E231 HydrophobicContact CD1-CG 3.87Å; L223-G268 VanDerWaalsContact O-CA 3.3Å; L223-G268 WeakPolarHBondContact O-CA 3.46Å; L223-T269 PolarHBondContact O-N 2.91Å; L223-T269 PolarHBondContact O-OG1 3.44Å
224K98.4Very high98.2Very high75 Ų7556 Ų5633%0.32627%0.273SS..  trans-68158.6164.6-63.4-173.5-177-118.60111.4E188 R226 Q227 I228 T269 D270E188-K224 VanDerWaalsContact OE1-CE 3.24Å; E188-K224 WeakPolarHBondContact OE1-CE 3.34Å; E188-K224 IonicContact OE1-NZ 3.77Å; E188-K224 PolarHBondContact OE1-NZ 2.96Å; E188-K224 IonicContact OE2-NZ 2.83Å; E188-K224 PolarHBondContact OE2-NZ 3.44Å; K224-R226 VanDerWaalsContact C-N 3.26Å; K224-R226 PolarHBondContact O-N 3.06Å; K224-R226 VanDerWaalsContact O-N 3.13Å; K224-Q227 HydrophobicContact CB-CG 4.49Å; K224-Q227 VanDerWaalsContact CB-OE1 3.3Å; K224-Q227 WeakPolarHBondContact O-CA 3.42Å; K224-Q227 WeakPolarHBondContact O-CB 3.28Å; K224-Q227 PolarHBondContact O-N 2.91Å; K224-I228 PolarHBondContact O-N 3.09Å; K224-T269 PolarHBondContact N-OG1 3.36Å; K224-D270 WeakPolarHBondContact CA-OD1 3.34Å; K224-D270 HydrophobicContact CB-CB 4.18Å; K224-D270 HydrophobicContact CD-CB 4.12Å; K224-D270 HydrophobicContact CG-CB 3.93Å
225Q97.5Very high98.3Very high33 Ų3354.6 Ų54.615%0.15427%0.266CS..Hα-helixtrans-50.1-43.9-178.6-168.3-87.58.300113.4Q227 I228 R229 D270 H273Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 3.42Å; Q225-I228 PolarHBondContact O-N 3.34Å; Q225-R229 PolarHBondContact O-N 2.78Å; Q225-D270 PolarHBondContact N-OD1 3.46Å; Q225-D270 PolarHBondContact N-OD2 3.47Å; Q225-H273 WeakPolarHBondContact CG-O 3.35Å; Q225-H273 PolarHBondContact NE2-O 2.87Å
226R97.9Very high98.3Very high204 Ų20454.7 Ų54.777%0.7727%0.267SS*.Hα-helixtrans-66.3-33.9178.3-169.7177.870.5163.51.3112.8K224 H230K224-R226 VanDerWaalsContact C-N 3.26Å; K224-R226 PolarHBondContact O-N 3.06Å; K224-R226 VanDerWaalsContact O-N 3.13Å; R226-H230 PolarHBondContact O-N 3.13Å
227Q98.6Very high98.3Very high86 Ų8659.6 Ų59.640%0.40228%0.284SS..Hα-helixtrans-74-39.9177.1-65.3169-68.300110.9L223 K224 Q225 R229 H230 E231L223-Q227 HydrophobicContact CB-CB 4.06Å; L223-Q227 HydrophobicContact CD1-CB 4.43Å; L223-Q227 HydrophobicContact CD2-CB 4.09Å; L223-Q227 HydrophobicContact CG-CB 4.43Å; K224-Q227 HydrophobicContact CB-CG 4.49Å; K224-Q227 VanDerWaalsContact CB-OE1 3.3Å; K224-Q227 WeakPolarHBondContact O-CA 3.42Å; K224-Q227 WeakPolarHBondContact O-CB 3.28Å; K224-Q227 PolarHBondContact O-N 2.91Å; Q225-Q227 VanDerWaalsContact C-N 3.33Å; Q225-Q227 PolarHBondContact O-N 3.42Å; Q227-R229 VanDerWaalsContact C-N 3.34Å; Q227-R229 PolarHBondContact O-N 3.43Å; Q227-H230 WeakPolarHBondContact O-CB 3.37Å; Q227-H230 PolarHBondContact O-N 3.03Å; Q227-H230 VanDerWaalsContact O-N 3.09Å; Q227-E231 WeakPolarHBondContact O-CG 3.25Å; Q227-E231 PolarHBondContact O-N 2.82Å
228I98.6Very high98.2Very high0 Ų061.3 Ų61.30%029%0.289CS..Hα-helixtrans-55.9-49.7171.4-62.6175.4000110.3I182 L223 K224 Q225 H230 E231 L232 M250 I274I182-I228 HydrophobicContact CD1-CB 4.48Å; I182-I228 HydrophobicContact CD1-CG1 4.46Å; I182-I228 HydrophobicContact CD1-CG2 3.95Å; I182-I228 HydrophobicContact CG2-CD1 4.4Å; I182-I228 HydrophobicContact CG2-CG1 4.17Å; L223-I228 HydrophobicContact CB-CD1 4.46Å; L223-I228 HydrophobicContact CB-CG1 3.63Å; L223-I228 HydrophobicContact CD1-CG1 4.22Å; K224-I228 PolarHBondContact O-N 3.09Å; Q225-I228 PolarHBondContact O-N 3.34Å; I228-H230 VanDerWaalsContact C-N 3.28Å; I228-H230 PolarHBondContact O-N 3.25Å; I228-E231 PolarHBondContact O-N 2.89Å; I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.31Å; I228-L232 WeakPolarHBondContact O-CB 3.33Å; I228-L232 VanDerWaalsContact O-CG 3.26Å; I228-L232 WeakPolarHBondContact O-CG 2.95Å; I228-L232 PolarHBondContact O-N 2.98Å; I228-M250 HydrophobicContact CD1-CE 4.48Å; I228-M250 HydrophobicContact CG2-CE 3.88Å; I228-I274 HydrophobicContact CG2-CG2 3.92Å
229R98.3Very high98.1Very high116 Ų11662.9 Ų62.944%0.43830%0.3SS..Hα-helixtrans-59.1-36.8175.2-79.5-173.9163-165.4-2.8113.1Q225 Q227 S233 I274 D278Q225-R229 PolarHBondContact O-N 2.78Å; Q227-R229 VanDerWaalsContact C-N 3.34Å; Q227-R229 PolarHBondContact O-N 3.43Å; R229-S233 WeakPolarHBondContact O-CB 3.27Å; R229-S233 PolarHBondContact O-N 3.09Å; R229-S233 VanDerWaalsContact O-N 3.08Å; R229-I274 HydrophobicContact CG-CD1 3.6Å; R229-I274 HydrophobicContact CG-CG1 4.36Å; R229-D278 IonicContact CZ-OD2 2.76Å; R229-D278 IonicContact NH2-OD2 3Å; R229-D278 PolarHBondContact NH2-OD2 3.44Å
230H98.5Very high98.1Very high128 Ų12860.7 Ų60.759%0.59329%0.286SS*.Hα-helixtrans-67.1-52.3177.6-178.573.9000112.1R226 Q227 I228 S233 A234R226-H230 PolarHBondContact O-N 3.13Å; Q227-H230 WeakPolarHBondContact O-CB 3.37Å; Q227-H230 PolarHBondContact O-N 3.03Å; Q227-H230 VanDerWaalsContact O-N 3.09Å; I228-H230 VanDerWaalsContact C-N 3.28Å; I228-H230 PolarHBondContact O-N 3.25Å; H230-S233 PolarHBondContact O-N 2.78Å; H230-A234 WeakPolarHBondContact O-CB 3.21Å; H230-A234 PolarHBondContact O-N 2.95Å
231E98.7Very high98Very high40 Ų4062.1 Ų62.119%0.18730%0.302CS..Hα-helixtrans-63.2-43.7-178.6-66.5-71.6-179.900111.9L180 K220 L223 Q227 I228 S233 A234 L235L180-E231 HydrophobicContact CD2-CB 4.41Å; K220-E231 HydrophobicContact CD-CG 4.34Å; K220-E231 WeakPolarHBondContact CE-OE2 3.26Å; K220-E231 HydrophobicContact CG-CG 4.33Å; K220-E231 IonicContact NZ-OE1 2.69Å; K220-E231 PolarHBondContact NZ-OE1 2.73Å; K220-E231 IonicContact NZ-OE2 2.86Å; K220-E231 PolarHBondContact NZ-OE2 2.92Å; L223-E231 HydrophobicContact CD1-CB 4.46Å; L223-E231 HydrophobicContact CD1-CG 3.87Å; Q227-E231 WeakPolarHBondContact O-CG 3.25Å; Q227-E231 PolarHBondContact O-N 2.82Å; I228-E231 PolarHBondContact O-N 2.89Å; E231-S233 VanDerWaalsContact C-N 3.35Å; E231-S233 PolarHBondContact O-N 3.31Å; E231-A234 PolarHBondContact O-N 2.91Å; E231-L235 PolarHBondContact O-N 2.9Å
232L98.6Very high97.9Very high0 Ų064.2 Ų64.20%031%0.306CS..Hα-helixtrans-62.2-41.2174.2-68.3170.6000112L180 I182 I228 L235 S236 V248 I274 I279 L282 F283L180-L232 HydrophobicContact CD2-CD2 4.06Å; I182-L232 HydrophobicContact CD1-CD2 4.45Å; I182-L232 HydrophobicContact CD1-CG 4.35Å; I228-L232 HydrophobicContact CG2-CD1 3.66Å; I228-L232 HydrophobicContact CG2-CG 4.31Å; I228-L232 WeakPolarHBondContact O-CB 3.33Å; I228-L232 VanDerWaalsContact O-CG 3.26Å; I228-L232 WeakPolarHBondContact O-CG 2.95Å; I228-L232 PolarHBondContact O-N 2.98Å; L232-L235 PolarHBondContact O-N 3.42Å; L232-S236 WeakPolarHBondContact O-CB 3.44Å; L232-S236 PolarHBondContact O-N 2.85Å; L232-V248 HydrophobicContact CD2-CG1 3.67Å; L232-V248 HydrophobicContact CD2-CG2 4.34Å; L232-I274 HydrophobicContact CD1-CD1 3.93Å; L232-I279 HydrophobicContact CD1-CB 4.44Å; L232-I279 HydrophobicContact CD1-CG1 3.83Å; L232-I279 HydrophobicContact CD1-CG2 4.21Å; L232-I279 HydrophobicContact CD2-CG2 4.31Å; L232-L282 HydrophobicContact CB-CD1 3.71Å; L232-F283 HydrophobicContact CD2-CE2 4.19Å; L232-F283 HydrophobicContact CD2-CZ 4.29Å
233S98.1Very high97.9Very high26 Ų2662.8 Ų62.818%0.18230%0.296CS..Hα-helixtrans-70.1-33176.7-172.40000112.6R229 H230 E231 S236 K237R229-S233 WeakPolarHBondContact O-CB 3.27Å; R229-S233 PolarHBondContact O-N 3.09Å; R229-S233 VanDerWaalsContact O-N 3.08Å; H230-S233 PolarHBondContact O-N 2.78Å; E231-S233 VanDerWaalsContact C-N 3.35Å; E231-S233 PolarHBondContact O-N 3.31Å; S233-S236 PolarHBondContact O-OG 3.39Å; S233-K237 WeakPolarHBondContact O-CB 3.34Å; S233-K237 VanDerWaalsContact O-CD 3.3Å; S233-K237 WeakPolarHBondContact O-CD 3.09Å; S233-K237 VanDerWaalsContact O-CG 3.23Å; S233-K237 WeakPolarHBondContact O-CG 3.41Å; S233-K237 PolarHBondContact O-N 3.22Å; S233-K237 WeakPolarHBondContact OG-CE 3.42Å; S233-K237 PolarHBondContact OG-NZ 2.88Å
234A98.4Very high97.8Very high40 Ų4062.6 Ų62.633%0.33130%0.296SS..Hα-helixtrans-65.6-46.8173.900000110.3H230 E231 K237 K238H230-A234 WeakPolarHBondContact O-CB 3.21Å; H230-A234 PolarHBondContact O-N 2.95Å; E231-A234 PolarHBondContact O-N 2.91Å; A234-K237 PolarHBondContact O-N 2.95Å; A234-K238 PolarHBondContact O-N 3.09Å
235L98.5Very high97.7Very high4 Ų459 Ų592%0.02128%0.28CS..Hα-helixtrans-60.6-45.3175.5-174.867.6000112.3Y178 L180 E231 L232 K237 K238 H240 V248 F283Y178-L235 HydrophobicContact CD2-CD1 4.05Å; Y178-L235 HydrophobicContact CG-CD1 3.97Å; L180-L235 HydrophobicContact CB-CD2 3.68Å; L180-L235 HydrophobicContact CD2-CB 4.37Å; L180-L235 HydrophobicContact CD2-CD2 3.9Å; L180-L235 HydrophobicContact CG-CD2 4.46Å; E231-L235 PolarHBondContact O-N 2.9Å; L232-L235 PolarHBondContact O-N 3.42Å; L235-K237 PolarHBondContact O-N 3.22Å; L235-K237 VanDerWaalsContact O-N 3.14Å; L235-K238 HydrophobicContact CD1-CD 4.13Å; L235-K238 PolarHBondContact O-N 2.81Å; L235-H240 PolarHBondContact O-NE2 2.96Å; L235-V248 HydrophobicContact CD2-CG2 3.86Å; L235-F283 HydrophobicContact CB-CE1 4.24Å; L235-F283 HydrophobicContact CB-CZ 4.27Å; L235-F283 HydrophobicContact CD2-CE1 3.8Å; L235-F283 HydrophobicContact CD2-CZ 3.88Å; L235-F283 HydrophobicContact CG-CE1 3.88Å; L235-F283 HydrophobicContact CG-CZ 4.24Å
236S97.6Very high97.8Very high9 Ų957.6 Ų57.66%0.06327%0.274CS..Hα-helixtrans-66.2-13.8179.4810000113.8L232 S233 L282 C288L232-S236 WeakPolarHBondContact O-CB 3.44Å; L232-S236 PolarHBondContact O-N 2.85Å; S233-S236 PolarHBondContact O-OG 3.39Å; S236-L282 WeakPolarHBondContact CB-O 3.4Å; S236-C288 PolarHBondContact O-SG 2.89Å; S236-C288 VanDerWaalsContact O-SG 3.34Å
237K97.6Very high97.8Very high161 Ų16147.9 Ų47.970%0.724%0.237SC*.THydrogen-bonded Turntrans-103.2-6.1177.8-71.9168.8-179.2154.90114S233 A234 L235S233-K237 WeakPolarHBondContact O-CB 3.34Å; S233-K237 VanDerWaalsContact O-CD 3.3Å; S233-K237 WeakPolarHBondContact O-CD 3.09Å; S233-K237 VanDerWaalsContact O-CG 3.23Å; S233-K237 WeakPolarHBondContact O-CG 3.41Å; S233-K237 PolarHBondContact O-N 3.22Å; S233-K237 WeakPolarHBondContact OG-CE 3.42Å; S233-K237 PolarHBondContact OG-NZ 2.88Å; A234-K237 PolarHBondContact O-N 2.95Å; L235-K237 PolarHBondContact O-N 3.22Å; L235-K237 VanDerWaalsContact O-N 3.14Å
238K97.2Very high97.8Very high60 Ų6043.9 Ų43.926%0.26122%0.218SC..SBendtrans-63.8153.3169.2-62.5-172.4-170.2174.20109Y178 E218 A234 L235 H240Y178-K238 HydrophobicContact CD2-CD 3.98Å; Y178-K238 HydrophobicContact CE1-CD 4.3Å; Y178-K238 HydrophobicContact CE2-CB 3.99Å; Y178-K238 HydrophobicContact CE2-CD 3.5Å; Y178-K238 VanDerWaalsContact CE2-CD 3.5Å; Y178-K238 HydrophobicContact CE2-CG 4.35Å; E218-K238 IonicContact OE2-NZ 3.97Å; E218-K238 PolarHBondContact OE2-NZ 2.87Å; A234-K238 PolarHBondContact O-N 3.09Å; L235-K238 HydrophobicContact CD1-CD 4.13Å; L235-K238 PolarHBondContact O-N 2.81Å; K238-H240 PolarHBondContact O-CD2 3.44Å; K238-H240 PolarHBondContact O-N 3.4Å; K238-H240 PolarHBondContact O-NE2 2.82Å
239D96.4Very high97.8Very high97 Ų9743.9 Ų43.952%0.51922%0.218SC..  trans-78.8118.5169.5-177.319.9000109.8S241 S290D239-S241 WeakPolarHBondContact OD1-CB 3.48Å; D239-S241 PolarHBondContact OD1-N 3.42Å; D239-S241 PolarHBondContact OD1-OG 2.87Å; D239-S290 WeakPolarHBondContact OD1-CB 3.28Å
240H97.8Very high97.8Very high0 Ų038.3 Ų38.30%020%0.197CC..  trans-100.67.1177.7-58.5-95000112.8Y178 L235 K238 Q242 Y243 S290 L291 K294Y178-H240 AromaticContact CD2-CE1 3.71Å; Y178-H240 AromaticContact CD2-ND1 3.8Å; L235-H240 PolarHBondContact O-NE2 2.96Å; K238-H240 PolarHBondContact O-CD2 3.44Å; K238-H240 PolarHBondContact O-N 3.4Å; K238-H240 PolarHBondContact O-NE2 2.82Å; H240-Q242 VanDerWaalsContact C-N 3.27Å; H240-Q242 PolarHBondContact O-N 2.88Å; H240-Y243 PolarHBondContact O-N 3.35Å; H240-S290 PolarHBondContact N-OG 3.4Å; H240-L291 HydrophobicContact CB-CD2 3.45Å; H240-L291 VanDerWaalsContact CB-CD2 3.45Å; H240-L291 HydrophobicContact CB-CG 3.74Å; H240-K294 PolarHBondContact O-NZ 3.06Å
241S96.5Very high97.7Very high73 Ų7332.2 Ų32.251%0.5117%0.169SC..THydrogen-bonded Turntrans-57.6-38.7-171.9-61.70000113.1D239 Y243 K294D239-S241 WeakPolarHBondContact OD1-CB 3.48Å; D239-S241 PolarHBondContact OD1-N 3.42Å; D239-S241 PolarHBondContact OD1-OG 2.87Å; S241-Y243 VanDerWaalsContact C-N 3.35Å; S241-K294 PolarHBondContact O-NZ 3.1Å
242Q96.3Very high97.6Very high128 Ų12830.5 Ų30.560%0.59816%0.161SC*.THydrogen-bonded Turntrans-79.7-5.617867.3-175.9-9.700115.6H240H240-Q242 VanDerWaalsContact C-N 3.27Å; H240-Q242 PolarHBondContact O-N 2.88Å
243Y97.2Very high97.1Very high23 Ų2331.6 Ų31.69%0.0917%0.167CC..  trans-108.5159.5-177.8-58-48.8000111.4P175 Y178 H240 S241 K294P175-Y243 HydrophobicContact CG-CD1 4.3Å; P175-Y243 HydrophobicContact CG-CE1 3.69Å; P175-Y243 WeakPolarHBondContact O-CD1 3.45Å; Y178-Y243 HydrophobicContact CD2-CD2 4.17Å; Y178-Y243 AromaticContact CD2-CE2 3.95Å; Y178-Y243 HydrophobicContact CD2-CE2 3.95Å; Y178-Y243 HydrophobicContact CE1-CE2 4.49Å; Y178-Y243 AromaticContact CE2-CD2 4Å; Y178-Y243 HydrophobicContact CE2-CD2 4Å; Y178-Y243 AromaticContact CE2-CE2 3.36Å; Y178-Y243 HydrophobicContact CE2-CE2 3.36Å; Y178-Y243 AromaticContact CZ-CE2 3.66Å; Y178-Y243 PolarHBondContact OH-OH 3.42Å; H240-Y243 PolarHBondContact O-N 3.35Å; S241-Y243 VanDerWaalsContact C-N 3.35Å; Y243-K294 VanDerWaalsContact O-CD 3.29Å; Y243-K294 WeakPolarHBondContact O-CD 3.2Å; Y243-K294 WeakPolarHBondContact O-CE 3.38Å; Y243-K294 PolarHBondContact O-NZ 3.22Å
244D97.1Very high96.5Very high12 Ų1231 Ų316%0.06416%0.164CC..SBendtrans-97.8-26.6179.7-74-38.6000112.9K170 M171 D172 S173 C176 K294 P295K170-D244 WeakPolarHBondContact CD-OD1 3.3Å; K170-D244 IonicContact NZ-OD1 3.76Å; K170-D244 PolarHBondContact NZ-OD1 2.92Å; K170-D244 IonicContact NZ-OD2 3.41Å; K170-D244 PolarHBondContact NZ-OD2 3.01Å; K170-D244 WeakPolarHBondContact O-CB 3.47Å; M171-D244 HydrophobicContact SD-CB 4.06Å; D172-D244 PolarHBondContact N-OD2 3.22Å; S173-D244 VanDerWaalsContact CB-OD2 3.24Å; S173-D244 WeakPolarHBondContact CB-OD2 2.82Å; S173-D244 PolarHBondContact N-OD2 3.04Å; S173-D244 PolarHBondContact OG-OD1 3.19Å; S173-D244 PolarHBondContact OG-OD2 3.41Å; C176-D244 PolarHBondContact O-N 3.37Å; D244-K294 WeakPolarHBondContact O-CB 3.45Å; D244-P295 WeakPolarHBondContact O-CD 3.3Å
245C96.8Very high95.6Very high0 Ų030.9 Ų30.90%016%0.159CC..EExtended strand (participates in β ladder)trans-142.2160.8-172.2-174.20000112.6M171 C176 G177 F215 P295M171-C245 HydrophobicContact CE-CB 3.83Å; M171-C245 HydrophobicContact SD-CB 3.75Å; C176-C245 PolarHBondContact O-N 2.97Å; G177-C245 WeakPolarHBondContact CA-O 3.38Å; F215-C245 HydrophobicContact CE1-CB 3.91Å; F215-C245 HydrophobicContact CZ-CB 4.13Å; C245-P295 HydrophobicContact CB-CG 3.99Å
246C98.4Very high94.7Very high3 Ų335.9 Ų35.92%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-134134.6166.6-176.30000110.4L291 P295 K296 L297C246-L291 HydrophobicContact CB-CD1 3.63Å; C246-L291 HydrophobicContact CB-CD2 3.84Å; C246-L291 HydrophobicContact CB-CG 4.42Å; C246-P295 PolarHBondContact N-O 3.27Å; C246-P295 VanDerWaalsContact N-O 3.11Å; C246-K296 WeakPolarHBondContact O-CA 3.4Å; C246-L297 PolarHBondContact O-N 3.46Å
247V98.8Very high93.9Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-120.6137.1-178.9-1760000110.4Y178 C179 L180 F210 F215 I249 L297 F299Y178-V247 PolarHBondContact O-N 3.48Å; C179-V247 WeakPolarHBondContact CA-O 3.43Å; C179-V247 HydrophobicContact CB-CB 3.97Å; C179-V247 HydrophobicContact CB-CG1 4.45Å; L180-V247 PolarHBondContact N-O 3.33Å; F210-V247 HydrophobicContact CD1-CG1 4.37Å; F210-V247 HydrophobicContact CD1-CG2 4.31Å; F210-V247 HydrophobicContact CE1-CB 4.47Å; F210-V247 HydrophobicContact CE1-CG1 3.92Å; F210-V247 HydrophobicContact CE1-CG2 3.98Å; F210-V247 HydrophobicContact CZ-CG1 4.13Å; F215-V247 HydrophobicContact CD1-CG2 4Å; F215-V247 HydrophobicContact CE1-CG2 3.5Å; F215-V247 VanDerWaalsContact CE1-CG2 3.5Å; F215-V247 HydrophobicContact CZ-CG2 3.87Å; V247-I249 HydrophobicContact CG1-CD1 4.33Å; V247-I249 HydrophobicContact CG1-CG1 3.91Å; V247-L297 CarbonylContact C-O 3.5Å; V247-L297 WeakPolarHBondContact CA-O 3.41Å; V247-L297 HydrophobicContact CG2-CB 4.24Å; V247-L297 HydrophobicContact CG2-CD1 4.17Å; V247-F299 HydrophobicContact CG1-CD2 3.89Å; V247-F299 HydrophobicContact CG1-CE2 3.87Å
248V98.8Very high92.8Very high1 Ų137.7 Ų37.71%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-130.4124.8171.4176.90000108.8L180 L232 L235 M250 F283 L297 F298 F299L180-V248 CarbonylContact O-C 3.46Å; L180-V248 WeakPolarHBondContact O-CA 3.46Å; L232-V248 HydrophobicContact CD2-CG1 3.67Å; L232-V248 HydrophobicContact CD2-CG2 4.34Å; L235-V248 HydrophobicContact CD2-CG2 3.86Å; V248-M250 HydrophobicContact CG1-CG 4.31Å; V248-M250 HydrophobicContact CG1-SD 3.92Å; V248-F283 HydrophobicContact CG2-CE1 4.46Å; V248-F283 HydrophobicContact CG2-CE2 4.17Å; V248-F283 HydrophobicContact CG2-CZ 3.97Å; V248-L297 PolarHBondContact N-O 3.16Å; V248-F298 HydrophobicContact CB-CD1 3.74Å; V248-F298 HydrophobicContact CB-CE1 3.93Å; V248-F298 HydrophobicContact CG1-CD1 4.23Å; V248-F298 HydrophobicContact CG1-CE1 4.5Å; V248-F298 HydrophobicContact CG2-CD1 4.31Å; V248-F298 HydrophobicContact CG2-CE1 3.97Å; V248-F298 CarbonylContact O-C 3.53Å; V248-F298 VanDerWaalsContact O-CA 3.3Å; V248-F298 WeakPolarHBondContact O-CA 3.41Å; V248-F299 PolarHBondContact O-N 3Å
249I98.8Very high91.7Very high0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-116.8126.2-179.7-52.8-170.6000108.7L180 I181 I182 L206 F210 V247 L251 F299L180-I249 PolarHBondContact O-N 3.48Å; I181-I249 HydrophobicContact CB-CB 4.41Å; I181-I249 HydrophobicContact CD1-CD1 4.17Å; I181-I249 HydrophobicContact CG1-CB 4.16Å; I181-I249 HydrophobicContact CG1-CD1 4.06Å; I181-I249 HydrophobicContact CG1-CG1 4.31Å; I181-I249 HydrophobicContact CG2-CB 4.24Å; I181-I249 HydrophobicContact CG2-CG2 4.25Å; I182-I249 PolarHBondContact N-O 3.1Å; L206-I249 HydrophobicContact CB-CD1 4.1Å; L206-I249 HydrophobicContact CD1-CD1 4.13Å; L206-I249 HydrophobicContact CD1-CG2 3.62Å; L206-I249 HydrophobicContact CD2-CD1 4.47Å; L206-I249 HydrophobicContact CG-CD1 4.46Å; F210-I249 HydrophobicContact CD2-CD1 3.68Å; F210-I249 HydrophobicContact CE2-CD1 3.49Å; F210-I249 VanDerWaalsContact CE2-CD1 3.49Å; F210-I249 HydrophobicContact CZ-CD1 4.25Å; V247-I249 HydrophobicContact CG1-CD1 4.33Å; V247-I249 HydrophobicContact CG1-CG1 3.91Å; I249-L251 HydrophobicContact CG2-CD2 3.68Å; I249-L251 HydrophobicContact CG2-CG 4.15Å; I249-F299 WeakPolarHBondContact CA-O 3.23Å; I249-F299 HydrophobicContact CG1-CB 4.28Å; I249-F299 HydrophobicContact CG1-CD2 4.2Å; I249-F299 HydrophobicContact CG2-CB 4.37Å
250M98.1Very high90.5Very high0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-117.1109.4-179.7-57.8-58.9-5900109.6I182 I228 V248 V266 I279 F299 I300 Q301I182-M250 HydrophobicContact CB-CE 3.92Å; I182-M250 HydrophobicContact CB-SD 3.96Å; I182-M250 HydrophobicContact CD1-CE 4Å; I182-M250 HydrophobicContact CD1-SD 3.93Å; I182-M250 HydrophobicContact CG1-CE 4.49Å; I182-M250 HydrophobicContact CG1-SD 4.25Å; I182-M250 HydrophobicContact CG2-CE 3.97Å; I228-M250 HydrophobicContact CD1-CE 4.48Å; I228-M250 HydrophobicContact CG2-CE 3.88Å; V248-M250 HydrophobicContact CG1-CG 4.31Å; V248-M250 HydrophobicContact CG1-SD 3.92Å; M250-V266 HydrophobicContact CB-CG1 4.2Å; M250-V266 HydrophobicContact CB-CG2 4.28Å; M250-V266 HydrophobicContact CE-CB 4.42Å; M250-V266 HydrophobicContact CE-CG1 3.86Å; M250-I279 HydrophobicContact CE-CD1 4.46Å; M250-I279 HydrophobicContact CG-CD1 4.22Å; M250-I279 HydrophobicContact SD-CD1 4.47Å; M250-F299 PolarHBondContact N-O 3.23Å; M250-I300 HydrophobicContact CB-CD1 3.84Å; M250-I300 HydrophobicContact CG-CD1 3.63Å; M250-Q301 PolarHBondContact O-N 2.72Å
251L97.1Very high89.6Confident0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-10999174.7-42.5179.9000108.6I181 I182 N183 N184 R196 D202 L206 I249 Q301 I383I181-L251 HydrophobicContact CG2-CD1 4.37Å; I182-L251 PolarHBondContact O-N 3.23Å; N183-L251 HydrophobicContact CB-CD1 4.28Å; N184-L251 PolarHBondContact N-O 2.9Å; R196-L251 PolarHBondContact NH1-O 2.97Å; D202-L251 HydrophobicContact CB-CD1 3.98Å; L206-L251 HydrophobicContact CD1-CD1 4.28Å; L206-L251 HydrophobicContact CD1-CD2 3.86Å; I249-L251 HydrophobicContact CG2-CD2 3.68Å; I249-L251 HydrophobicContact CG2-CG 4.15Å; L251-Q301 HydrophobicContact CD2-CB 3.64Å; L251-Q301 HydrophobicContact CD2-CG 4.18Å; L251-I383 HydrophobicContact CD2-CD1 4.23Å; L251-I383 HydrophobicContact CD2-CG1 4.24Å
252S94.9Very high89.1Confident3 Ų341.8 Ų41.82%0.02122%0.215CC..SBendtrans-154.1-171.8-178.3-161.60000112.4N184 F187 R196 V266 Y267 Q301 A302N184-S252 WeakPolarHBondContact CB-OG 3.46Å; F187-S252 WeakPolarHBondContact CZ-OG 3.33Å; R196-S252 VanDerWaalsContact CD-C 3.41Å; R196-S252 VanDerWaalsContact CZ-CA 3.48Å; R196-S252 PolarHBondContact NE-O 2.65Å; S252-V266 VanDerWaalsContact CB-CG1 3.48Å; S252-Y267 PolarHBondContact OG-O 3.38Å; S252-Q301 PolarHBondContact N-O 3.01Å; S252-Q301 VanDerWaalsContact N-O 3.09Å; S252-Q301 VanDerWaalsContact O-O 3.13Å; S252-A302 WeakPolarHBondContact O-CA 3.44Å
253H88.6Confident88.6Confident24 Ų2436 Ų3611%0.11119%0.188CC..  trans-75156156.3-71.7-61.2000109.9F187 L193 S194 R196 Y267F187-H253 AromaticContact CE1-CD2 3.88Å; F187-H253 AromaticContact CE2-CD2 3.6Å; F187-H253 HydrophobicContact CZ-CB 4.5Å; F187-H253 AromaticContact CZ-CD2 3.53Å; L193-H253 HydrophobicContact CD1-CB 4.42Å; L193-H253 HydrophobicContact CD2-CB 4.25Å; S194-H253 PolarHBondContact O-NE2 2.78Å; R196-H253 WeakPolarHBondContact CG-NE2 3.47Å; H253-Y267 HydrophobicContact CB-CD2 3.76Å; H253-Y267 HydrophobicContact CB-CG 4.45Å; H253-Y267 PolarHBondContact O-N 3.42Å
254G85.9Confident88.2Confident13 Ų1335.5 Ų35.513%0.13419%0.19CC..EExtended strand (participates in β ladder)trans-130.7173.5174.100000111.9A265 C303G254-A265 CarbonylContact C-O 3.57Å; G254-A265 WeakPolarHBondContact CA-O 2.94Å; G254-C303 CarbonylContact C-O 3.49Å; G254-C303 VanDerWaalsContact C-O 3.24Å; G254-C303 VanDerWaalsContact CA-O 3.27Å; G254-C303 WeakPolarHBondContact CA-O 3.19Å
255T79.7Confident87.9Confident37 Ų3735 Ų3523%0.22719%0.188CC..EExtended strand (participates in β ladder)trans-152.1152.2175.1-171.10000110.4V257 G264 A265 Y267T255-V257 HydrophobicContact CG2-CG1 4.15Å; T255-G264 WeakPolarHBondContact O-CA 3.35Å; T255-A265 HydrophobicContact CG2-CB 4.07Å; T255-A265 PolarHBondContact N-O 2.95Å; T255-A265 VanDerWaalsContact N-O 3.09Å; T255-A265 PolarHBondContact O-N 3.04Å; T255-Y267 HydrophobicContact CG2-CE2 3.8Å
256E79.1Confident87.7Confident110 Ų11035 Ų3551%0.51419%0.188SC..  trans-65.2134.9168.7-65170.7-127.200110G304 G305E256-G304 WeakPolarHBondContact CG-O 3.3Å; E256-G305 WeakPolarHBondContact OE1-CA 3.19Å
257V80.1Confident87.5Confident33 Ų3337 Ų3720%0.220%0.195CC..  trans-139.9144.6170.9-64.30000108.9T255 H259 A265 T275T255-V257 HydrophobicContact CG2-CG1 4.15Å; V257-H259 PolarHBondContact O-N 3.31Å; V257-A265 HydrophobicContact CG1-CB 3.73Å; V257-A265 HydrophobicContact CG2-CB 4.02Å; V257-T275 HydrophobicContact CG2-CG2 4.09Å
258N75.9Confident87.4Confident174 Ų17437 Ų3793%0.9320%0.195SC*.  trans-58.9126.2170-70.4-6.9000109.1
259H74.3Confident87.3Confident94 Ų9437.2 Ų37.244%0.43520%0.197SC..  trans-133.9153.9-176.466.796.1000110.7V257 F262 P263V257-H259 PolarHBondContact O-N 3.31Å; H259-F262 VanDerWaalsContact CB-O 3.22Å; H259-F262 WeakPolarHBondContact CB-O 3.03Å; H259-P263 VanDerWaalsContact CD2-CA 3.46Å; H259-P263 WeakPolarHBondContact CD2-CA 3.27Å
260S71.6Confident87.1Confident96 Ų9639.1 Ų39.167%0.67121%0.207SC*.SBendtrans-96.9-16.3170.9580000113.3Q277S260-Q277 PolarHBondContact OG-NE2 3.09Å; S260-Q277 PolarHBondContact OG-OE1 3.15Å
261R77.8Confident86.7Confident117 Ų11740.2 Ų40.244%0.44222%0.218SC..SBendtrans-138.5-63.7-173.9-65.4175.9-69174.68.1113.8T281R261-T281 PolarHBondContact NH2-OG1 2.84Å; R261-T281 VanDerWaalsContact NH2-OG1 3.12Å
262F85.2Confident86.6Confident10 Ų1043.1 Ų43.14%0.04424%0.239CC..SBendtrans-112.3125.3-176.8-69.4-71.6000111.4H259 V276 Q277 T280 I360 V362 F426 F428H259-F262 VanDerWaalsContact CB-O 3.22Å; H259-F262 WeakPolarHBondContact CB-O 3.03Å; F262-V276 HydrophobicContact CB-CB 4.32Å; F262-V276 HydrophobicContact CB-CG1 4.15Å; F262-Q277 HydrophobicContact CB-CB 4.45Å; F262-T280 HydrophobicContact CD2-CG2 4.05Å; F262-T280 VanDerWaalsContact CD2-OG1 3.27Å; F262-T280 WeakPolarHBondContact CD2-OG1 3.2Å; F262-T280 HydrophobicContact CE2-CG2 4.05Å; F262-I360 HydrophobicContact CZ-CG2 3.97Å; F262-V362 HydrophobicContact CD1-CB 4.27Å; F262-V362 HydrophobicContact CD1-CG2 3.76Å; F262-V362 HydrophobicContact CE1-CB 4.18Å; F262-V362 HydrophobicContact CE1-CG2 3.47Å; F262-V362 VanDerWaalsContact CE1-CG2 3.47Å; F262-V362 HydrophobicContact CG-CG2 4.46Å; F262-V362 HydrophobicContact CZ-CG2 3.96Å; F262-F426 HydrophobicContact CD1-CB 4.3Å; F262-F426 HydrophobicContact CD1-CG 4.44Å; F262-F426 HydrophobicContact CE1-CB 3.87Å; F262-F426 HydrophobicContact CE1-CG 4.42Å; F262-F428 HydrophobicContact CE1-CD2 4.21Å; F262-F428 AromaticContact CE1-CE2 3.74Å; F262-F428 HydrophobicContact CE1-CE2 3.74Å; F262-F428 AromaticContact CZ-CD2 4Å; F262-F428 HydrophobicContact CZ-CD2 4Å; F262-F428 AromaticContact CZ-CE2 3.77Å; F262-F428 HydrophobicContact CZ-CE2 3.77Å
263P87.4Confident86.5Confident5 Ų546.5 Ų46.53%0.03225%0.254CS..  trans-67.6154.3-178.724-31.5000113.7H259 Y364 P368 F426H259-P263 VanDerWaalsContact CD2-CA 3.46Å; H259-P263 WeakPolarHBondContact CD2-CA 3.27Å; P263-Y364 WeakPolarHBondContact CD-OH 3.43Å; P263-Y364 HydrophobicContact CG-CE1 4.36Å; P263-Y364 HydrophobicContact CG-CE2 4.4Å; P263-Y364 VanDerWaalsContact O-CE1 3.28Å; P263-Y364 WeakPolarHBondContact O-CE1 3.44Å; P263-Y364 PolarHBondContact O-OH 2.89Å; P263-P368 HydrophobicContact CB-CB 3.95Å; P263-P368 HydrophobicContact CB-CG 3.78Å; P263-P368 HydrophobicContact CG-CB 4.28Å; P263-P368 HydrophobicContact CG-CG 3.54Å; P263-F426 HydrophobicContact CG-CE2 3.7Å; P263-F426 HydrophobicContact CG-CZ 4.08Å
264G87.6Confident86.8Confident13 Ų1345.5 Ų45.513%0.13425%0.249CC..  trans78.4164166.900000116T255 V276T255-G264 WeakPolarHBondContact O-CA 3.35Å; G264-V276 PolarHBondContact O-N 3.41Å
265A90.3Very high87.2Confident3 Ų346.3 Ų46.33%0.02525%0.252CS..EExtended strand (participates in β ladder)trans-132.1157.8173.400000111G254 T255 V257 H273 I274 T275G254-A265 CarbonylContact C-O 3.57Å; G254-A265 WeakPolarHBondContact CA-O 2.94Å; T255-A265 HydrophobicContact CG2-CB 4.07Å; T255-A265 PolarHBondContact N-O 2.95Å; T255-A265 VanDerWaalsContact N-O 3.09Å; T255-A265 PolarHBondContact O-N 3.04Å; V257-A265 HydrophobicContact CG1-CB 3.73Å; V257-A265 HydrophobicContact CG2-CB 4.02Å; A265-H273 HydrophobicContact CB-CB 3.98Å; A265-I274 CarbonylContact C-O 3.35Å; A265-I274 VanDerWaalsContact CA-O 3.26Å; A265-I274 WeakPolarHBondContact CA-O 3.43Å; A265-I274 WeakPolarHBondContact CB-O 3.43Å; A265-T275 HydrophobicContact CB-CG2 4.46Å
266V93.3Very high87.9Confident0 Ų044.6 Ų44.60%024%0.241CC..EExtended strand (participates in β ladder)trans-113.5128.7-178.8-1740000108.8M250 S252 H273 I274 V276 I279 I300M250-V266 HydrophobicContact CB-CG1 4.2Å; M250-V266 HydrophobicContact CB-CG2 4.28Å; M250-V266 HydrophobicContact CE-CB 4.42Å; M250-V266 HydrophobicContact CE-CG1 3.86Å; S252-V266 VanDerWaalsContact CB-CG1 3.48Å; V266-H273 CarbonylContact O-C 3.45Å; V266-H273 VanDerWaalsContact O-CA 3.26Å; V266-H273 WeakPolarHBondContact O-CA 3.14Å; V266-H273 WeakPolarHBondContact O-CB 3.36Å; V266-I274 HydrophobicContact CB-CG2 4.44Å; V266-I274 PolarHBondContact N-O 3.07Å; V266-I274 PolarHBondContact O-N 3.29Å; V266-V276 HydrophobicContact CG2-CG2 4.26Å; V266-I279 HydrophobicContact CG2-CD1 4.26Å; V266-I300 HydrophobicContact CG2-CG2 4.08Å
267Y94.1Very high88.5Confident43 Ų4341 Ų4117%0.16923%0.225CC..EExtended strand (participates in β ladder)trans-77.9138.8180-78.5-72.2000113.1N184 L193 S252 H253 T255 G271 H273N184-Y267 PolarHBondContact ND2-O 2.83Å; L193-Y267 HydrophobicContact CD1-CD1 3.89Å; L193-Y267 HydrophobicContact CD1-CD2 3.96Å; L193-Y267 HydrophobicContact CD1-CE1 4.5Å; L193-Y267 HydrophobicContact CD1-CG 3.6Å; L193-Y267 HydrophobicContact CD2-CD2 4.29Å; L193-Y267 HydrophobicContact CD2-CE2 4.28Å; S252-Y267 PolarHBondContact OG-O 3.38Å; H253-Y267 HydrophobicContact CB-CD2 3.76Å; H253-Y267 HydrophobicContact CB-CG 4.45Å; H253-Y267 PolarHBondContact O-N 3.42Å; T255-Y267 HydrophobicContact CG2-CE2 3.8Å; Y267-G271 VanDerWaalsContact CD1-O 3.3Å; Y267-G271 WeakPolarHBondContact CD1-O 3.38Å; Y267-G271 WeakPolarHBondContact CE1-O 3.36Å; Y267-H273 HydrophobicContact CD1-CB 3.77Å; Y267-H273 HydrophobicContact CE1-CB 4.02Å; Y267-H273 AromaticContact CE1-ND1 3.79Å; Y267-H273 HydrophobicContact CG-CB 4.28Å
268G96.4Very high89.2Confident0 Ų042.2 Ų42.20%023%0.23CC..  trans-76.4166.7155.900000111.6L223 D270 G271 S272L223-G268 VanDerWaalsContact O-CA 3.3Å; L223-G268 WeakPolarHBondContact O-CA 3.46Å; G268-D270 PolarHBondContact O-N 3.4Å; G268-G271 PolarHBondContact O-N 3.46Å; G268-G271 VanDerWaalsContact O-N 3.16Å; G268-S272 PolarHBondContact N-O 3Å
269T96.6Very high90.1Very high7 Ų733.9 Ų33.94%0.04319%0.185CC..THydrogen-bonded Turntrans-65.2-20178.951.70000113.8N184 D186 E188 N222 L223 K224 G271N184-T269 HydrophobicContact CB-CG2 4.21Å; D186-T269 WeakPolarHBondContact O-CG2 3.23Å; E188-T269 WeakPolarHBondContact CB-O 3.27Å; E188-T269 WeakPolarHBondContact CG-O 3.32Å; E188-T269 PolarHBondContact N-O 3.31Å; N222-T269 VanDerWaalsContact CA-CG2 3.47Å; N222-T269 HydrophobicContact CB-CG2 3.94Å; N222-T269 WeakPolarHBondContact O-CG2 3.18Å; N222-T269 PolarHBondContact O-OG1 3.36Å; N222-T269 VanDerWaalsContact O-OG1 3.13Å; L223-T269 PolarHBondContact O-N 2.91Å; L223-T269 PolarHBondContact O-OG1 3.44Å; K224-T269 PolarHBondContact N-OG1 3.36Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact O-N 3.16Å
270D95.4Very high91.1Very high40 Ų4029.6 Ų29.621%0.21417%0.165CC..THydrogen-bonded Turntrans-80.84.617555.7-18.3000114.5K224 Q225 G268 S272K224-D270 WeakPolarHBondContact CA-OD1 3.34Å; K224-D270 HydrophobicContact CB-CB 4.18Å; K224-D270 HydrophobicContact CD-CB 4.12Å; K224-D270 HydrophobicContact CG-CB 3.93Å; Q225-D270 PolarHBondContact N-OD1 3.46Å; Q225-D270 PolarHBondContact N-OD2 3.47Å; G268-D270 PolarHBondContact O-N 3.4Å; D270-S272 PolarHBondContact O-N 3Å; D270-S272 VanDerWaalsContact O-N 3.17Å
271G89.1Confident92.2Very high23 Ų2326.8 Ų26.824%0.23714%0.144CC..SBendtrans72.60.2-17800000114.5Y267 G268 T269Y267-G271 VanDerWaalsContact CD1-O 3.3Å; Y267-G271 WeakPolarHBondContact CD1-O 3.38Å; Y267-G271 WeakPolarHBondContact CE1-O 3.36Å; G268-G271 PolarHBondContact O-N 3.46Å; G268-G271 VanDerWaalsContact O-N 3.16Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact O-N 3.16Å
272S94.4Very high93.1Very high61 Ų6123.3 Ų23.343%0.42713%0.134SC..  trans-86.3149.1167.6-68.70000110G268 D270G268-S272 PolarHBondContact N-O 3Å; D270-S272 PolarHBondContact O-N 3Å; D270-S272 VanDerWaalsContact O-N 3.17Å
273H93.3Very high93.6Very high73 Ų7322.9 Ų22.934%0.33813%0.132SC..EExtended strand (participates in β ladder)trans-119.6165.8-176.760.9-109.8000114.3Q225 A265 V266 Y267Q225-H273 WeakPolarHBondContact CG-O 3.35Å; Q225-H273 PolarHBondContact NE2-O 2.87Å; A265-H273 HydrophobicContact CB-CB 3.98Å; V266-H273 CarbonylContact O-C 3.45Å; V266-H273 VanDerWaalsContact O-CA 3.26Å; V266-H273 WeakPolarHBondContact O-CA 3.14Å; V266-H273 WeakPolarHBondContact O-CB 3.36Å; Y267-H273 HydrophobicContact CD1-CB 3.77Å; Y267-H273 HydrophobicContact CE1-CB 4.02Å; Y267-H273 AromaticContact CE1-ND1 3.79Å; Y267-H273 HydrophobicContact CG-CB 4.28Å
274I94.5Very high93.8Very high3 Ų323.2 Ų23.22%0.01513%0.134CC..EExtended strand (participates in β ladder)trans-124.9134.3169.7-175.2178.9000108.8I228 R229 L232 A265 V266 D278 I279I228-I274 HydrophobicContact CG2-CG2 3.92Å; R229-I274 HydrophobicContact CG-CD1 3.6Å; R229-I274 HydrophobicContact CG-CG1 4.36Å; L232-I274 HydrophobicContact CD1-CD1 3.93Å; A265-I274 CarbonylContact C-O 3.35Å; A265-I274 VanDerWaalsContact CA-O 3.26Å; A265-I274 WeakPolarHBondContact CA-O 3.43Å; A265-I274 WeakPolarHBondContact CB-O 3.43Å; V266-I274 HydrophobicContact CB-CG2 4.44Å; V266-I274 PolarHBondContact N-O 3.07Å; V266-I274 PolarHBondContact O-N 3.29Å; I274-D278 HydrophobicContact CD1-CB 4.21Å; I274-D278 HydrophobicContact CG1-CB 3.79Å; I274-I279 HydrophobicContact CD1-CG1 3.81Å; I274-I279 HydrophobicContact CG1-CG1 4.11Å; I274-I279 HydrophobicContact CG2-CD1 4.1Å; I274-I279 HydrophobicContact CG2-CG1 4.26Å
275T94.8Very high93.7Very high31 Ų3123.2 Ų23.219%0.1913%0.134CC..EExtended strand (participates in β ladder)trans-73148.4-179.272.20000110.7V257 A265 Q277 D278 I279V257-T275 HydrophobicContact CG2-CG2 4.09Å; A265-T275 HydrophobicContact CB-CG2 4.46Å; T275-Q277 PolarHBondContact O-N 3.42Å; T275-D278 WeakPolarHBondContact O-CB 3.34Å; T275-D278 PolarHBondContact O-N 2.86Å; T275-D278 WeakPolarHBondContact OG1-CB 3.39Å; T275-D278 PolarHBondContact OG1-N 2.84Å; T275-D278 PolarHBondContact OG1-OD1 3.29Å; T275-I279 WeakPolarHBondContact O-CG1 3.33Å; T275-I279 PolarHBondContact O-N 2.74Å; T275-I279 VanDerWaalsContact O-N 3.13Å
276V93.9Very high93.6Very high1 Ų131 Ų311%0.00617%0.167CC..Hα-helixtrans-64-27.6173.9-178.30000110.8F262 G264 V266 I279 T280 I300 V362 Y364F262-V276 HydrophobicContact CB-CB 4.32Å; F262-V276 HydrophobicContact CB-CG1 4.15Å; G264-V276 PolarHBondContact O-N 3.41Å; V266-V276 HydrophobicContact CG2-CG2 4.26Å; V276-I279 PolarHBondContact O-N 3.49Å; V276-T280 HydrophobicContact CG1-CG2 4.27Å; V276-T280 WeakPolarHBondContact O-CB 3.08Å; V276-T280 WeakPolarHBondContact O-CG2 3.4Å; V276-T280 PolarHBondContact O-N 3.48Å; V276-T280 PolarHBondContact O-OG1 2.98Å; V276-I300 HydrophobicContact CG1-CG1 4.38Å; V276-I300 HydrophobicContact CG2-CG1 4.42Å; V276-I300 HydrophobicContact CG2-CG2 4.34Å; V276-V362 HydrophobicContact CG1-CG1 3.83Å; V276-Y364 WeakPolarHBondContact CG1-OH 3.49Å; V276-Y364 HydrophobicContact CG2-CE1 4.18Å
277Q92.6Very high93.6Very high35 Ų3534.6 Ų34.616%0.16419%0.186CC..Hα-helixtrans-62.2-40.8169.6175.2161.7-39.300113.6S260 F262 T275 T280 T281S260-Q277 PolarHBondContact OG-NE2 3.09Å; S260-Q277 PolarHBondContact OG-OE1 3.15Å; F262-Q277 HydrophobicContact CB-CB 4.45Å; T275-Q277 PolarHBondContact O-N 3.42Å; Q277-T280 PolarHBondContact O-OG1 2.81Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 PolarHBondContact O-N 3.07Å; Q277-T281 PolarHBondContact O-OG1 3.46Å
278D93.8Very high93.7Very high57 Ų5732.6 Ų32.631%0.30518%0.179SC..Hα-helixtrans-65.3-46.8174.5-75-4.2000110.5R229 I274 T275 T281 L282R229-D278 IonicContact CZ-OD2 2.76Å; R229-D278 IonicContact NH2-OD2 3Å; R229-D278 PolarHBondContact NH2-OD2 3.44Å; I274-D278 HydrophobicContact CD1-CB 4.21Å; I274-D278 HydrophobicContact CG1-CB 3.79Å; T275-D278 WeakPolarHBondContact O-CB 3.34Å; T275-D278 PolarHBondContact O-N 2.86Å; T275-D278 WeakPolarHBondContact OG1-CB 3.39Å; T275-D278 PolarHBondContact OG1-N 2.84Å; T275-D278 PolarHBondContact OG1-OD1 3.29Å; D278-T281 PolarHBondContact O-N 2.96Å; D278-L282 PolarHBondContact O-N 3.48Å
279I96Very high93.6Very high0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-54.9-58.9178.9-62.8171.9000109.8L232 M250 V266 I274 T275 V276 T281 L282 F283 F298L232-I279 HydrophobicContact CD1-CB 4.44Å; L232-I279 HydrophobicContact CD1-CG1 3.83Å; L232-I279 HydrophobicContact CD1-CG2 4.21Å; L232-I279 HydrophobicContact CD2-CG2 4.31Å; M250-I279 HydrophobicContact CE-CD1 4.46Å; M250-I279 HydrophobicContact CG-CD1 4.22Å; M250-I279 HydrophobicContact SD-CD1 4.47Å; V266-I279 HydrophobicContact CG2-CD1 4.26Å; I274-I279 HydrophobicContact CD1-CG1 3.81Å; I274-I279 HydrophobicContact CG1-CG1 4.11Å; I274-I279 HydrophobicContact CG2-CD1 4.1Å; I274-I279 HydrophobicContact CG2-CG1 4.26Å; T275-I279 WeakPolarHBondContact O-CG1 3.33Å; T275-I279 PolarHBondContact O-N 2.74Å; T275-I279 VanDerWaalsContact O-N 3.13Å; V276-I279 PolarHBondContact O-N 3.49Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 3.37Å; I279-L282 WeakPolarHBondContact O-CB 3.38Å; I279-L282 PolarHBondContact O-N 3.49Å; I279-F283 VanDerWaalsContact O-CD2 3.29Å; I279-F283 WeakPolarHBondContact O-CD2 3.5Å; I279-F298 HydrophobicContact CG2-CD1 3.76Å; I279-F298 HydrophobicContact CG2-CE1 3.68Å
280T95.3Very high93.6Very high3 Ų337.3 Ų37.32%0.01821%0.21CC..Hα-helixtrans-62.8-32.1-178.150.90000113F262 V276 Q277 L282 F283 N284 F298 I360 V362F262-T280 HydrophobicContact CD2-CG2 4.05Å; F262-T280 VanDerWaalsContact CD2-OG1 3.27Å; F262-T280 WeakPolarHBondContact CD2-OG1 3.2Å; F262-T280 HydrophobicContact CE2-CG2 4.05Å; V276-T280 HydrophobicContact CG1-CG2 4.27Å; V276-T280 WeakPolarHBondContact O-CB 3.08Å; V276-T280 WeakPolarHBondContact O-CG2 3.4Å; V276-T280 PolarHBondContact O-N 3.48Å; V276-T280 PolarHBondContact O-OG1 2.98Å; Q277-T280 PolarHBondContact O-OG1 2.81Å; T280-L282 VanDerWaalsContact C-N 3.29Å; T280-L282 PolarHBondContact O-N 2.98Å; T280-F283 PolarHBondContact O-N 3.42Å; T280-N284 PolarHBondContact O-N 2.97Å; T280-F298 HydrophobicContact CG2-CD1 4.41Å; T280-F298 HydrophobicContact CG2-CD2 3.9Å; T280-F298 HydrophobicContact CG2-CE1 4.48Å; T280-F298 HydrophobicContact CG2-CE2 3.96Å; T280-F298 HydrophobicContact CG2-CG 4.14Å; T280-F298 HydrophobicContact CG2-CZ 4.26Å; T280-I360 HydrophobicContact CG2-CG2 4.33Å; T280-V362 HydrophobicContact CG2-CG2 3.66Å
281T94.6Very high93.7Very high37 Ų3735.4 Ų35.423%0.22720%0.2CC..Hα-helixtrans-63.7-32.8177.4-67.10000112.1R261 Q277 D278 I279 F283 N284 N287R261-T281 PolarHBondContact NH2-OG1 2.84Å; R261-T281 VanDerWaalsContact NH2-OG1 3.12Å; Q277-T281 WeakPolarHBondContact O-CB 3.36Å; Q277-T281 PolarHBondContact O-N 3.07Å; Q277-T281 PolarHBondContact O-OG1 3.46Å; D278-T281 PolarHBondContact O-N 2.96Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 3.37Å; T281-F283 VanDerWaalsContact C-N 3.26Å; T281-F283 PolarHBondContact O-N 3.36Å; T281-N284 PolarHBondContact O-N 3.48Å; T281-N284 PolarHBondContact O-ND2 3Å; T281-N284 VanDerWaalsContact O-ND2 3.14Å; T281-N287 PolarHBondContact O-ND2 3.18Å
282L96.2Very high93.9Very high45 Ų4539.9 Ų39.924%0.23622%0.215CC..Hα-helixtrans-62.5-30.5178.5-69.1170000113.4L232 S236 D278 I279 T280 N287L232-L282 HydrophobicContact CB-CD1 3.71Å; S236-L282 WeakPolarHBondContact CB-O 3.4Å; D278-L282 PolarHBondContact O-N 3.48Å; I279-L282 WeakPolarHBondContact O-CB 3.38Å; I279-L282 PolarHBondContact O-N 3.49Å; T280-L282 VanDerWaalsContact C-N 3.29Å; T280-L282 PolarHBondContact O-N 2.98Å; L282-N287 VanDerWaalsContact O-CB 3.3Å; L282-N287 WeakPolarHBondContact O-CB 3.32Å
283F96.4Very high93.9Very high0 Ų038.2 Ų38.20%021%0.207CC..THydrogen-bonded Turntrans-101.4-0.3-174.9-59.6-88.8000113.7L232 L235 V248 I279 T280 T281 L291 K296 F298L232-F283 HydrophobicContact CD2-CE2 4.19Å; L232-F283 HydrophobicContact CD2-CZ 4.29Å; L235-F283 HydrophobicContact CB-CE1 4.24Å; L235-F283 HydrophobicContact CB-CZ 4.27Å; L235-F283 HydrophobicContact CD2-CE1 3.8Å; L235-F283 HydrophobicContact CD2-CZ 3.88Å; L235-F283 HydrophobicContact CG-CE1 3.88Å; L235-F283 HydrophobicContact CG-CZ 4.24Å; V248-F283 HydrophobicContact CG2-CE1 4.46Å; V248-F283 HydrophobicContact CG2-CE2 4.17Å; V248-F283 HydrophobicContact CG2-CZ 3.97Å; I279-F283 VanDerWaalsContact O-CD2 3.29Å; I279-F283 WeakPolarHBondContact O-CD2 3.5Å; T280-F283 PolarHBondContact O-N 3.42Å; T281-F283 VanDerWaalsContact C-N 3.26Å; T281-F283 PolarHBondContact O-N 3.36Å; F283-L291 HydrophobicContact CD1-CD1 4.04Å; F283-K296 HydrophobicContact CB-CD 4.04Å; F283-K296 WeakPolarHBondContact O-CD 3.37Å; F283-F298 HydrophobicContact CB-CZ 4Å; F283-F298 AromaticContact CD2-CE1 3.73Å; F283-F298 HydrophobicContact CD2-CE1 3.73Å; F283-F298 AromaticContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CE2-CE1 4.1Å; F283-F298 HydrophobicContact CE2-CZ 4.44Å; F283-F298 HydrophobicContact CG-CE1 4.42Å; F283-F298 AromaticContact CG-CZ 3.97Å; F283-F298 HydrophobicContact CG-CZ 3.97Å
284N90.3Very high94Very high13 Ų1336.6 Ų36.67%0.0720%0.199CC..SBendtrans-63.8165.1-179.579.326.1000111.9T280 T281 K286 N287 C288 T356T280-N284 PolarHBondContact O-N 2.97Å; T281-N284 PolarHBondContact O-N 3.48Å; T281-N284 PolarHBondContact O-ND2 3Å; T281-N284 VanDerWaalsContact O-ND2 3.14Å; N284-K286 PolarHBondContact O-N 2.71Å; N284-K286 WeakPolarHBondContact OD1-CB 3.31Å; N284-K286 PolarHBondContact OD1-N 3.08Å; N284-N287 PolarHBondContact O-N 3.39Å; N284-N287 PolarHBondContact OD1-N 3.34Å; N284-C288 PolarHBondContact O-N 2.97Å; N284-T356 HydrophobicContact CB-CG2 4.2Å; N284-T356 WeakPolarHBondContact CB-O 3.33Å
285G85.5Confident94.2Very high13 Ų1336.5 Ų36.513%0.13420%0.199CC..THydrogen-bonded Turntrans-60.5-18.3-17400000115.4Q292 T356G285-Q292 PolarHBondContact O-NE2 3.25Å; G285-T356 PolarHBondContact N-O 3.11Å
286K89.6Confident94.3Very high165 Ų16535.1 Ų35.172%0.71719%0.19SC*.THydrogen-bonded Turntrans-83.5-38.7175.1179.3178179.3177.80112.2N284 T356N284-K286 PolarHBondContact O-N 2.71Å; N284-K286 WeakPolarHBondContact OD1-CB 3.31Å; N284-K286 PolarHBondContact OD1-N 3.08Å; K286-T356 HydrophobicContact CB-CG2 3.67Å
287N92.7Very high94.6Very high76 Ų7635.1 Ų35.141%0.40619%0.19SC..THydrogen-bonded Turntrans-95.2-22.9-172.2-66.7-30000113.5T281 L282 N284T281-N287 PolarHBondContact O-ND2 3.18Å; L282-N287 VanDerWaalsContact O-CB 3.3Å; L282-N287 WeakPolarHBondContact O-CB 3.32Å; N284-N287 PolarHBondContact O-N 3.39Å; N284-N287 PolarHBondContact OD1-N 3.34Å
288C95.5Very high94.8Very high1 Ų133.5 Ų33.51%0.00718%0.183CC..  trans-131.882.5171.3-170.30000111S236 N284 S290 L291S236-C288 PolarHBondContact O-SG 2.89Å; S236-C288 VanDerWaalsContact O-SG 3.34Å; N284-C288 PolarHBondContact O-N 2.97Å; C288-S290 VanDerWaalsContact C-N 3.28Å; C288-S290 PolarHBondContact O-N 3.13Å; C288-L291 HydrophobicContact CB-CB 4.47Å; C288-L291 HydrophobicContact CB-CD1 4.38Å; C288-L291 PolarHBondContact O-N 3.44Å; C288-L291 VanDerWaalsContact O-N 3.13Å; C288-L291 VanDerWaalsContact SG-CD1 3.59Å
289P94.8Very high95.1Very high83 Ų8330.9 Ų30.954%0.53917%0.168SC..G310 helixtrans-60.3-31.9-175.7-27.537.1000114.7L291 Q292P289-L291 PolarHBondContact O-N 3.19Å; P289-Q292 WeakPolarHBondContact O-CB 3.39Å; P289-Q292 VanDerWaalsContact O-CG 3.29Å; P289-Q292 WeakPolarHBondContact O-CG 3.03Å; P289-Q292 PolarHBondContact O-N 3.45Å; P289-Q292 VanDerWaalsContact O-N 3.07Å
290S97Very high95.1Very high24 Ų2431 Ų3117%0.16817%0.169CC..G310 helixtrans-70.2-8.3178.853.30000114.3D239 H240 C288 K294D239-S290 WeakPolarHBondContact OD1-CB 3.28Å; H240-S290 PolarHBondContact N-OG 3.4Å; C288-S290 VanDerWaalsContact C-N 3.28Å; C288-S290 PolarHBondContact O-N 3.13Å; S290-K294 PolarHBondContact O-NZ 3.17Å
291L96.6Very high95Very high0 Ų031.2 Ų31.20%017%0.17CC..G310 helixtrans-107.413.2171.1-66.9176.1000113.6H240 C246 F283 C288 P289 G293 K294 K296H240-L291 HydrophobicContact CB-CD2 3.45Å; H240-L291 VanDerWaalsContact CB-CD2 3.45Å; H240-L291 HydrophobicContact CB-CG 3.74Å; C246-L291 HydrophobicContact CB-CD1 3.63Å; C246-L291 HydrophobicContact CB-CD2 3.84Å; C246-L291 HydrophobicContact CB-CG 4.42Å; F283-L291 HydrophobicContact CD1-CD1 4.04Å; C288-L291 HydrophobicContact CB-CB 4.47Å; C288-L291 HydrophobicContact CB-CD1 4.38Å; C288-L291 PolarHBondContact O-N 3.44Å; C288-L291 VanDerWaalsContact O-N 3.13Å; C288-L291 VanDerWaalsContact SG-CD1 3.59Å; P289-L291 PolarHBondContact O-N 3.19Å; L291-G293 PolarHBondContact O-N 2.86Å; L291-K294 HydrophobicContact CD2-CB 4.35Å; L291-K294 HydrophobicContact CD2-CD 4.32Å; L291-K294 PolarHBondContact O-N 2.85Å; L291-K296 HydrophobicContact CB-CD 4.09Å; L291-K296 HydrophobicContact CB-CG 4.29Å; L291-K296 HydrophobicContact CD1-CD 4.45Å; L291-K296 HydrophobicContact CD1-CG 4.21Å; L291-K296 PolarHBondContact O-NZ 3.06Å
292Q94.6Very high94.5Very high116 Ų11629.9 Ų29.954%0.54216%0.162SC..THydrogen-bonded Turntrans-62.8132.7169-73.81769.800110.4G285 P289 K294G285-Q292 PolarHBondContact O-NE2 3.25Å; P289-Q292 WeakPolarHBondContact O-CB 3.39Å; P289-Q292 VanDerWaalsContact O-CG 3.29Å; P289-Q292 WeakPolarHBondContact O-CG 3.03Å; P289-Q292 PolarHBondContact O-N 3.45Å; P289-Q292 VanDerWaalsContact O-N 3.07Å; Q292-K294 PolarHBondContact O-N 3.33Å
293G93.3Very high93.5Very high26 Ų2629.1 Ų29.127%0.26816%0.161SC..THydrogen-bonded Turntrans72.9-2.9-179.300000116L291 D359L291-G293 PolarHBondContact O-N 2.86Å; G293-D359 WeakPolarHBondContact CA-OD2 3.27Å
294K96.7Very high91.5Very high40 Ų4029.7 Ų29.717%0.17417%0.166CC..SBendtrans-105.6142.6-177.2-66.9179.7-1751770111.7H240 S241 Y243 D244 S290 L291 Q292 K296 D359H240-K294 PolarHBondContact O-NZ 3.06Å; S241-K294 PolarHBondContact O-NZ 3.1Å; Y243-K294 VanDerWaalsContact O-CD 3.29Å; Y243-K294 WeakPolarHBondContact O-CD 3.2Å; Y243-K294 WeakPolarHBondContact O-CE 3.38Å; Y243-K294 PolarHBondContact O-NZ 3.22Å; D244-K294 WeakPolarHBondContact O-CB 3.45Å; S290-K294 PolarHBondContact O-NZ 3.17Å; L291-K294 HydrophobicContact CD2-CB 4.35Å; L291-K294 HydrophobicContact CD2-CD 4.32Å; L291-K294 PolarHBondContact O-N 2.85Å; Q292-K294 PolarHBondContact O-N 3.33Å; K294-K296 PolarHBondContact O-NZ 2.84Å; K294-D359 VanDerWaalsContact O-CB 3.28Å; K294-D359 WeakPolarHBondContact O-CB 3.42Å
295P97.5Very high89.9Confident1 Ų129.3 Ų29.31%0.00617%0.166CC..  trans-61.8137.6177.724.1-34.7000113.2Y169 M171 D244 C245 C246 L297 D359 L429 L433Y169-P295 HydrophobicContact CD1-CG 4.42Å; Y169-P295 HydrophobicContact CD2-CG 4.4Å; Y169-P295 HydrophobicContact CE2-CB 4.46Å; Y169-P295 HydrophobicContact CG-CG 4.21Å; M171-P295 HydrophobicContact SD-CG 4.15Å; D244-P295 WeakPolarHBondContact O-CD 3.3Å; C245-P295 HydrophobicContact CB-CG 3.99Å; C246-P295 PolarHBondContact N-O 3.27Å; C246-P295 VanDerWaalsContact N-O 3.11Å; P295-L297 HydrophobicContact CB-CD2 4.23Å; P295-D359 CarbonylContact C-O 3.58Å; P295-L429 HydrophobicContact CB-CD2 4.07Å; P295-L433 HydrophobicContact CB-CD1 3.4Å; P295-L433 HydrophobicContact CG-CD1 3.69Å; P295-L433 HydrophobicContact CG-CG 4.49Å
296K98.3Very high88.6Confident2 Ų236 Ų361%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-126.6105.2178.9-66.2164.3-72.4-71.10108.1C246 F283 L291 K294 F298 S358 D359 I360 L361C246-K296 WeakPolarHBondContact O-CA 3.4Å; F283-K296 HydrophobicContact CB-CD 4.04Å; F283-K296 WeakPolarHBondContact O-CD 3.37Å; L291-K296 HydrophobicContact CB-CD 4.09Å; L291-K296 HydrophobicContact CB-CG 4.29Å; L291-K296 HydrophobicContact CD1-CD 4.45Å; L291-K296 HydrophobicContact CD1-CG 4.21Å; L291-K296 PolarHBondContact O-NZ 3.06Å; K294-K296 PolarHBondContact O-NZ 2.84Å; K296-F298 HydrophobicContact CB-CE2 3.94Å; K296-F298 HydrophobicContact CB-CZ 4.48Å; K296-S358 WeakPolarHBondContact CE-O 3.49Å; K296-S358 PolarHBondContact NZ-O 3.49Å; K296-D359 WeakPolarHBondContact CE-O 3.46Å; K296-D359 PolarHBondContact N-O 2.91Å; K296-D359 PolarHBondContact NZ-O 3.39Å; K296-I360 HydrophobicContact CB-CG1 4.29Å; K296-I360 HydrophobicContact CD-CG1 4.35Å; K296-I360 WeakPolarHBondContact O-CA 3.44Å; K296-L361 PolarHBondContact O-N 3.48Å
297L98.5Very high86.6Confident0 Ų031.7 Ų31.70%018%0.181CC..EExtended strand (participates in β ladder)trans-106.7126.9-167.9-49.9-178.6000110.4C246 V247 V248 P295 F299 L361 L399 L429 L433 F435C246-L297 PolarHBondContact O-N 3.46Å; V247-L297 CarbonylContact C-O 3.5Å; V247-L297 WeakPolarHBondContact CA-O 3.41Å; V247-L297 HydrophobicContact CG2-CB 4.24Å; V247-L297 HydrophobicContact CG2-CD1 4.17Å; V248-L297 PolarHBondContact N-O 3.16Å; P295-L297 HydrophobicContact CB-CD2 4.23Å; L297-F299 HydrophobicContact CB-CE2 3.82Å; L297-F299 HydrophobicContact CB-CZ 4.43Å; L297-F299 HydrophobicContact CD1-CE2 4.44Å; L297-L361 HydrophobicContact CD2-CB 3.84Å; L297-L399 HydrophobicContact CD1-CD2 3.59Å; L297-L399 HydrophobicContact CD2-CD2 3.66Å; L297-L399 HydrophobicContact CG-CD2 4.22Å; L297-L429 HydrophobicContact CD2-CD2 4.5Å; L297-L433 HydrophobicContact CD1-CD1 3.89Å; L297-L433 HydrophobicContact CD2-CD1 3.85Å; L297-L433 HydrophobicContact CG-CD1 4.3Å; L297-F435 HydrophobicContact CD1-CE1 4.03Å; L297-F435 HydrophobicContact CD1-CZ 4.01Å
298F98.6Very high84.9Confident2 Ų235.2 Ų35.21%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-120.5118.9179.6-59.6-89.4000109.3V248 I279 T280 F283 K296 I300 I360 L361 V362 S363V248-F298 HydrophobicContact CB-CD1 3.74Å; V248-F298 HydrophobicContact CB-CE1 3.93Å; V248-F298 HydrophobicContact CG1-CD1 4.23Å; V248-F298 HydrophobicContact CG1-CE1 4.5Å; V248-F298 HydrophobicContact CG2-CD1 4.31Å; V248-F298 HydrophobicContact CG2-CE1 3.97Å; V248-F298 CarbonylContact O-C 3.53Å; V248-F298 VanDerWaalsContact O-CA 3.3Å; V248-F298 WeakPolarHBondContact O-CA 3.41Å; I279-F298 HydrophobicContact CG2-CD1 3.76Å; I279-F298 HydrophobicContact CG2-CE1 3.68Å; T280-F298 HydrophobicContact CG2-CD1 4.41Å; T280-F298 HydrophobicContact CG2-CD2 3.9Å; T280-F298 HydrophobicContact CG2-CE1 4.48Å; T280-F298 HydrophobicContact CG2-CE2 3.96Å; T280-F298 HydrophobicContact CG2-CG 4.14Å; T280-F298 HydrophobicContact CG2-CZ 4.26Å; F283-F298 HydrophobicContact CB-CZ 4Å; F283-F298 AromaticContact CD2-CE1 3.73Å; F283-F298 HydrophobicContact CD2-CE1 3.73Å; F283-F298 AromaticContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CD2-CZ 3.64Å; F283-F298 HydrophobicContact CE2-CE1 4.1Å; F283-F298 HydrophobicContact CE2-CZ 4.44Å; F283-F298 HydrophobicContact CG-CE1 4.42Å; F283-F298 AromaticContact CG-CZ 3.97Å; F283-F298 HydrophobicContact CG-CZ 3.97Å; K296-F298 HydrophobicContact CB-CE2 3.94Å; K296-F298 HydrophobicContact CB-CZ 4.48Å; F298-I300 HydrophobicContact CB-CD1 4.35Å; F298-I360 HydrophobicContact CD2-CG2 4.1Å; F298-I360 HydrophobicContact CE2-CG2 4.05Å; F298-L361 PolarHBondContact N-O 2.78Å; F298-V362 HydrophobicContact CB-CB 4.35Å; F298-V362 HydrophobicContact CB-CG1 4.06Å; F298-V362 HydrophobicContact CB-CG2 4.16Å; F298-V362 HydrophobicContact CD2-CG2 4.14Å; F298-V362 HydrophobicContact CG-CG2 4.44Å; F298-V362 CarbonylContact O-C 3.53Å; F298-V362 WeakPolarHBondContact O-CA 3.44Å; F298-S363 PolarHBondContact O-N 3.44Å
299F98.3Very high82.6Confident1 Ų137.8 Ų37.80%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-110.8110.7176.9-61.6-89.6000109F210 V247 V248 I249 M250 L297 L386 L399 L403F210-F299 HydrophobicContact CE1-CE2 4.43Å; F210-F299 HydrophobicContact CZ-CD2 4.33Å; F210-F299 AromaticContact CZ-CE2 3.79Å; F210-F299 HydrophobicContact CZ-CE2 3.79Å; F210-F299 HydrophobicContact CZ-CZ 4.2Å; V247-F299 HydrophobicContact CG1-CD2 3.89Å; V247-F299 HydrophobicContact CG1-CE2 3.87Å; V248-F299 PolarHBondContact O-N 3Å; I249-F299 WeakPolarHBondContact CA-O 3.23Å; I249-F299 HydrophobicContact CG1-CB 4.28Å; I249-F299 HydrophobicContact CG1-CD2 4.2Å; I249-F299 HydrophobicContact CG2-CB 4.37Å; M250-F299 PolarHBondContact N-O 3.23Å; L297-F299 HydrophobicContact CB-CE2 3.82Å; L297-F299 HydrophobicContact CB-CZ 4.43Å; L297-F299 HydrophobicContact CD1-CE2 4.44Å; F299-L386 HydrophobicContact CD1-CD2 3.78Å; F299-L386 HydrophobicContact CE1-CD1 4.35Å; F299-L386 HydrophobicContact CE1-CD2 4.15Å; F299-L399 HydrophobicContact CE1-CD1 4.35Å; F299-L399 HydrophobicContact CZ-CD1 4.12Å; F299-L403 HydrophobicContact CE1-CD2 4.29Å
300I96.3Very high80.8Confident4 Ų439.5 Ų39.52%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-111.295.9-169.8-50-59.1000109.6M250 V266 V276 F298 A302 V362 S363 Y364 S365M250-I300 HydrophobicContact CB-CD1 3.84Å; M250-I300 HydrophobicContact CG-CD1 3.63Å; V266-I300 HydrophobicContact CG2-CG2 4.08Å; V276-I300 HydrophobicContact CG1-CG1 4.38Å; V276-I300 HydrophobicContact CG2-CG1 4.42Å; V276-I300 HydrophobicContact CG2-CG2 4.34Å; F298-I300 HydrophobicContact CB-CD1 4.35Å; I300-A302 HydrophobicContact CG2-CB 4.03Å; I300-A302 PolarHBondContact O-N 2.83Å; I300-V362 HydrophobicContact CG1-CG1 3.92Å; I300-S363 PolarHBondContact N-O 3.38Å; I300-Y364 HydrophobicContact CB-CD1 4.22Å; I300-Y364 HydrophobicContact CG2-CD1 4.28Å; I300-Y364 HydrophobicContact CG2-CE1 4.46Å; I300-S365 PolarHBondContact O-N 3.28Å
301Q93.3Very high78.6Confident6 Ų639.8 Ų39.83%0.02821%0.212CC..EExtended strand (participates in β ladder)trans-92.783.6170.2174.149.573.900109.2M250 L251 S252 S365 S372 S380 Y382 I383M250-Q301 PolarHBondContact O-N 2.72Å; L251-Q301 HydrophobicContact CD2-CB 3.64Å; L251-Q301 HydrophobicContact CD2-CG 4.18Å; S252-Q301 PolarHBondContact N-O 3.01Å; S252-Q301 VanDerWaalsContact N-O 3.09Å; S252-Q301 VanDerWaalsContact O-O 3.13Å; Q301-S365 PolarHBondContact NE2-OG 3.04Å; Q301-S365 PolarHBondContact OE1-OG 3.45Å; Q301-S372 PolarHBondContact NE2-OG 3.33Å; Q301-S372 PolarHBondContact OE1-OG 3.15Å; Q301-S380 PolarHBondContact OE1-OG 3.47Å; Q301-Y382 HydrophobicContact CB-CD1 4.47Å; Q301-I383 HydrophobicContact CB-CD1 4.18Å; Q301-I383 HydrophobicContact CB-CG1 4.14Å; Q301-I383 HydrophobicContact CG-CG1 4.01Å
302A85.2Confident76.9Confident9 Ų948.6 Ų48.67%0.07425%0.251CS..SBendtrans-144.4152.1178.600000109.5S252 I300 G304 S365S252-A302 WeakPolarHBondContact O-CA 3.44Å; I300-A302 HydrophobicContact CG2-CB 4.03Å; I300-A302 PolarHBondContact O-N 2.83Å; A302-G304 PolarHBondContact O-N 3.21Å; A302-S365 PolarHBondContact O-OG 2.68Å
303C74.4Confident74.6Confident30 Ų3051.1 Ų51.120%0.20327%0.268CS..  trans-65.3130.3173.7-62.90000109.5G254 G305G254-C303 CarbonylContact C-O 3.49Å; G254-C303 VanDerWaalsContact C-O 3.24Å; G254-C303 VanDerWaalsContact CA-O 3.27Å; G254-C303 WeakPolarHBondContact CA-O 3.19Å; C303-G305 VanDerWaalsContact C-N 3.27Å
304G54.3Low72.3Confident11 Ų1153.7 Ų53.711%0.11329%0.287CS..SBendtrans-73.6-21.1177.200000112.8E256 A302 G369 F370E256-G304 WeakPolarHBondContact CG-O 3.3Å; A302-G304 PolarHBondContact O-N 3.21Å; G304-G369 VanDerWaalsContact C-N 3.31Å; G304-G369 PolarHBondContact O-N 3.32Å; G304-F370 WeakPolarHBondContact CA-O 3.49Å; G304-F370 PolarHBondContact N-O 2.95Å
305G56.9Low69.4Low6 Ų656 Ų566%0.06231%0.308CS..  trans176.5-166.8176.600000111E256 C303 G369 F370E256-G305 WeakPolarHBondContact OE1-CA 3.19Å; C303-G305 VanDerWaalsContact C-N 3.27Å; G305-G369 CarbonylContact C-O 3.57Å; G305-G369 VanDerWaalsContact C-O 3.3Å; G305-G369 WeakPolarHBondContact CA-O 3.23Å; G305-F370 PolarHBondContact N-O 3.42Å; G305-F370 VanDerWaalsContact N-O 3.15Å; G305-F370 CarbonylContact O-C 3.58Å
306D59.3Low66.8Low154 Ų15462.5 Ų62.582%0.82435%0.35SS*.SBendtrans-92.9-6.5-179.9-79.4-39.4000113.6
307E47.4Very low64.2Low74 Ų7470.5 Ų70.535%0.34639%0.388SS..BIsolated β-bridgetrans-73.1138.9-175.8-56-156.6154.800111.9R54 G369 F370 V371R54-E307 IonicContact CZ-OE1 2.78Å; R54-E307 IonicContact NH1-OE1 3.3Å; R54-E307 PolarHBondContact NH1-OE1 3.37Å; R54-E307 IonicContact NH2-OE1 2.87Å; R54-E307 PolarHBondContact NH2-OE1 3.04Å; E307-G369 WeakPolarHBondContact CB-O 3.4Å; E307-G369 PolarHBondContact N-O 3.31Å; E307-G369 VanDerWaalsContact N-O 3.09Å; E307-F370 HydrophobicContact CB-CD1 4Å; E307-F370 HydrophobicContact CB-CE1 4.15Å; E307-F370 CarbonylContact O-C 3.58Å; E307-F370 WeakPolarHBondContact O-CA 3.29Å; E307-V371 WeakPolarHBondContact O-CG2 3.47Å; E307-V371 PolarHBondContact O-N 3.04Å
308R56.2Low61.5Low150 Ų15079.5 Ų79.557%0.56643%0.429SS*.  trans-110.5106.3179.6-63.3-173.9-170.9160.26.7109.4V371 Y419R308-V371 HydrophobicContact CG-CG2 4.03Å; R308-Y419 HydrophobicContact CB-CD1 3.67Å; R308-Y419 HydrophobicContact CB-CE1 3.62Å; R308-Y419 HydrophobicContact CG-CD1 4.46Å; R308-Y419 HydrophobicContact CG-CE1 4.29Å
309D47Very low58.7Low55 Ų5586.2 Ų86.229%0.29447%0.471SS..  trans-65.6134.5172.9-17417.8000110.5G311 F370 Y419 K420D309-G311 PolarHBondContact OD1-N 3.22Å; D309-F370 HydrophobicContact CB-CD1 3.71Å; D309-F370 HydrophobicContact CB-CE1 3.83Å; D309-Y419 CarbonylContact O-C 3.53Å; D309-Y419 VanDerWaalsContact O-CA 3.23Å; D309-Y419 WeakPolarHBondContact O-CA 3.3Å; D309-K420 HydrophobicContact CB-CB 4.3Å; D309-K420 PolarHBondContact O-N 3.15Å; D309-K420 WeakPolarHBondContact OD2-CB 3.3Å
310I57.2Low55.7Low119 Ų11989.3 Ų89.361%0.6150%0.503SS*.  trans-106.8-2.1173.759.7172.6000112.2M418 Y419I310-M418 CarbonylContact C-O 3.59Å; I310-M418 WeakPolarHBondContact CA-O 3.37Å; I310-Y419 HydrophobicContact CG2-CD1 4.13Å; I310-Y419 HydrophobicContact CG2-CE1 4.18Å
311G51.4Low53Low29 Ų2995.1 Ų95.130%0.29954%0.541SS..  trans69.2-166.9-17400000113.5D309D309-G311 PolarHBondContact OD1-N 3.22Å
312F59.4Low50Low185 Ų185100.9 Ų100.981%0.81158%0.582SS**  trans-137.7158.2170.961.7-89.6000109A314F312-A314 HydrophobicContact CE2-CB 4.48Å; F312-A314 PolarHBondContact O-N 3.36Å
313D48.2Very low47.6Very low170 Ų170107.9 Ų107.991%0.90962%0.623SS**  trans-72.4107.8177.1-70-43.5000110.3
314A43.1Very low45.4Very low80 Ų80110 Ų11066%0.66165%0.651SS**  trans-81.2120168.300000109.6F312F312-A314 HydrophobicContact CE2-CB 4.48Å; F312-A314 PolarHBondContact O-N 3.36Å
315S37.3Very low44Very low89 Ų89113.1 Ų113.162%0.62268%0.683SS**  trans-64.1140.6172.944.80000110.9E317S315-E317 PolarHBondContact O-N 2.87Å
316P43.4Very low42.7Very low137 Ų137121.8 Ų121.889%0.8972%0.722SS**SBendtrans-68.89.3-171.4-22.534.9000117.7
317E43.2Very low41Very low170 Ų170121.4 Ų121.479%0.79472%0.72SS**  trans-128.972-171.2-67.4-167.6155.400113.3S315S315-E317 PolarHBondContact O-N 2.87Å
318E42Very low40.1Very low188 Ų188125.5 Ų125.588%0.87974%0.744SS**  trans-133.366.5155-74.2-159.5-174.700111.6
319T39.5Very low38.7Very low144 Ų144126.9 Ų126.988%0.88376%0.757SS**  trans-126.686.3160.753.30000110.2
320G34.2Very low37.9Very low66 Ų66130.6 Ų130.668%0.6878%0.782SS**SBendtrans176.913617500000111.7
321P41.2Very low36.4Very low126 Ų126133.2 Ų133.282%0.81880%0.797SS**  trans-82150.7-170.333.4-35.8000112.4
322S30.2Very low35.3Very low126 Ų126135.9 Ų135.988%0.88182%0.816SS**  trans-142126.6159.9-79.50000110.8
323V34Very low34Very low156 Ų156135 Ų13595%0.94582%0.818SS**  trans-98.4130175.8170.80000107.7
324G27.5Very low32.9Very low75 Ų75132.7 Ų132.777%0.77381%0.81SS**  trans164.8104.9166.400000117
325G25.6Very low32.4Very low77 Ų77135.1 Ų135.179%0.79482%0.817SS**  trans99109140.100000118.2
326Q28.6Very low32.3Very low188 Ų188136.2 Ų136.288%0.87983%0.825SS**  trans-25133.1158.9-64.8162.3-81.400116.8
327D25.4Very low32Very low145 Ų145134.8 Ų134.878%0.77582%0.818SS**  -161.3124.595.4-104.5-13.1000111.5
328D27.9Very low31.6Very low161 Ų161131.6 Ų131.686%0.86182%0.815SS**  trans-87.6122.6172.6-76.7-49.7000109.9
329Q26.6Very low31.5Very low179 Ų179128.8 Ų128.884%0.83682%0.816SS**  trans-135.1121.4158-66.8-167.19.100110.7
330T30.7Very low31.3Very low132 Ų132130.6 Ų130.681%0.8181%0.814SS**  trans-123.1123.3174.425.10000108.9A332T330-A332 PolarHBondContact O-N 3.43Å
331D24.9Very low31.7Very low174 Ų174133.1 Ų133.193%0.9382%0.821SS**  trans-80.5101.1178.8-75.1-33.8000111.1
332A28.1Very low31.3Very low86 Ų86134.2 Ų134.271%0.71182%0.82SS**  trans-130.9123.1165.900000109.8T330 T334T330-A332 PolarHBondContact O-N 3.43Å; A332-T334 PolarHBondContact O-N 2.87Å
333I32.1Very low32.1Very low166 Ų166133.8 Ų133.885%0.85182%0.817SS**  trans-74.4113.7-174.2-61.8171.3000110.2T335I333-T335 PolarHBondContact O-N 3.3Å
334T25.9Very low32.1Very low121 Ų121133.1 Ų133.174%0.74281%0.806SS**  trans-76114.5171.4-58.50000110.6A332A332-T334 PolarHBondContact O-N 2.87Å
335T31.4Very low32.5Very low132 Ų132135.3 Ų135.381%0.8181%0.805SS**  trans-94.3105162.152.90000109.7I333I333-T335 PolarHBondContact O-N 3.3Å
336S36.7Very low33.2Very low112 Ų112139.3 Ų139.378%0.78381%0.808SS**  trans-71.8129.5179.3-51.70000112.1
337S36.3Very low33.5Very low107 Ų107137.6 Ų137.675%0.74880%0.8SS**  trans-146.5116.2148.8-162.50000111.3
338S35.5Very low34.2Very low102 Ų102137.9 Ų137.971%0.71381%0.806SS**  trans38.1103147.758.30000118.8E340S338-E340 PolarHBondContact O-N 2.66Å
339S40.4Very low34.7Very low129 Ų129136.1 Ų136.190%0.90280%0.797SS**  trans-66125156.6-50.10000110.8
340E33.8Very low34.9Very low182 Ų182131.4 Ų131.485%0.8579%0.789SS**  trans-118.7134.3150.9-74.9-158.3147.600109.5S338S338-E340 PolarHBondContact O-N 2.66Å
341S42.3Very low35.4Very low119 Ų119135.1 Ų135.183%0.83279%0.788SS**  trans-88.8115.3-178.9178.70000109.5
342L33.7Very low36.3Very low150 Ų150133.5 Ų133.579%0.78578%0.784SS**  trans-132.1121.9164.2-72.9177.1000110.3
343S46.9Very low37.3Very low117 Ų117134.5 Ų134.582%0.81879%0.787SS**  trans-67124.8169.451.70000110.7
344I34.5Very low38.5Very low141 Ų141130.4 Ų130.472%0.72377%0.766SS**  trans-128.9139165.7-58.9-176.8000109.1
345T35.9Very low40.6Very low121 Ų121128.9 Ų128.974%0.74276%0.758SS**  trans-61.8156.4-177.345.50000114.1E347T345-E347 PolarHBondContact O-N 3.25Å
346D38.7Very low42.4Very low161 Ų161126 Ų12686%0.86174%0.74SS**  trans-50.4107.8170.4-76.8-44.1000112.2V348D346-V348 PolarHBondContact O-N 2.85Å
347E36.5Very low44.3Very low153 Ų153123.2 Ų123.272%0.71572%0.72SS**  trans-77101169.7-71.9-170154.200110T345 D349 A350T345-E347 PolarHBondContact O-N 3.25Å; E347-D349 PolarHBondContact O-N 2.86Å; E347-A350 PolarHBondContact O-N 2.86Å
348V40.3Very low46.6Very low150 Ų150118.8 Ų118.891%0.90969%0.688SS**THydrogen-bonded Turntrans-67.213.7176.6-69.30000115D346D346-V348 PolarHBondContact O-N 2.85Å
349D37.1Very low49.4Very low124 Ų124113.9 Ų113.966%0.66366%0.655SS**THydrogen-bonded Turntrans-130.723.1179.9-153.49.5000112.8E347 R351E347-D349 PolarHBondContact O-N 2.86Å; D349-R351 PolarHBondContact O-N 2.86Å
350A32Very low52Low80 Ų80107.9 Ų107.966%0.66161%0.612SS**  trans-64.482.6169.700000111E347 T352E347-A350 PolarHBondContact O-N 2.86Å; A350-T352 PolarHBondContact O-N 2.8Å
351R41Very low55.1Low210 Ų21099.2 Ų99.279%0.79257%0.572SS**  trans-53.4124.9176.1-68.7-178.3177.5-176.5-1.5109.8D349 S353D349-R351 PolarHBondContact O-N 2.86Å; R351-S353 PolarHBondContact O-N 3.02Å
352T44.5Very low57.7Low140 Ų14093.5 Ų93.586%0.85953%0.532SS*.  trans-70.670.3177.939.60000111.7A350 L354A350-T352 PolarHBondContact O-N 2.8Å; T352-L354 PolarHBondContact O-N 2.95Å
353S47.5Very low60.7Low108 Ų10886.4 Ų86.476%0.75550%0.495SS*.PPolyproline II helixtrans-74.2117.218062.40000111.1R351R351-S353 PolarHBondContact O-N 3.02Å
354L58.7Low63Low79 Ų7981.7 Ų81.741%0.41446%0.459SS..PPolyproline II helixtrans-83.1144.4171.7-60.5178.2000110.9T352T352-L354 PolarHBondContact O-N 2.95Å
355P68.2Low65.5Low89 Ų8975 Ų7558%0.57843%0.425SS*.PPolyproline II helixtrans-55.3140.2169.6-24.734.5000111.2P357 S358P355-P357 VanDerWaalsContact C-N 3.31Å; P355-P357 VanDerWaalsContact O-N 3.15Å; P355-S358 VanDerWaalsContact O-CB 3.31Å; P355-S358 WeakPolarHBondContact O-CB 3.23Å; P355-S358 PolarHBondContact O-N 2.94Å; P355-S358 PolarHBondContact O-OG 3.18Å
356T70.1Confident67.7Low71 Ų7169.4 Ų69.444%0.43639%0.39SS..THydrogen-bonded Turntrans-52.5-36.7-178-44.80000115.1N284 G285 K286 S358N284-T356 HydrophobicContact CB-CG2 4.2Å; N284-T356 WeakPolarHBondContact CB-O 3.33Å; G285-T356 PolarHBondContact N-O 3.11Å; K286-T356 HydrophobicContact CB-CG2 3.67Å; T356-S358 VanDerWaalsContact C-N 3.34Å; T356-S358 PolarHBondContact O-N 3.2Å
357P77Confident69.6Low55 Ų5567.6 Ų67.636%0.35738%0.375SS..THydrogen-bonded Turntrans-89.925.8175.737.8-35.9000114.3P355 I360P355-P357 VanDerWaalsContact C-N 3.31Å; P355-P357 VanDerWaalsContact O-N 3.15Å; P357-I360 HydrophobicContact CB-CD1 4.24Å
358S83.8Confident71.3Confident13 Ų1362.3 Ų62.39%0.09135%0.354CS..THydrogen-bonded Turntrans-67.8151178.177.20000113.3K296 P355 T356 I360K296-S358 WeakPolarHBondContact CE-O 3.49Å; K296-S358 PolarHBondContact NZ-O 3.49Å; P355-S358 VanDerWaalsContact O-CB 3.31Å; P355-S358 WeakPolarHBondContact O-CB 3.23Å; P355-S358 PolarHBondContact O-N 2.94Å; P355-S358 PolarHBondContact O-OG 3.18Å; T356-S358 VanDerWaalsContact C-N 3.34Å; T356-S358 PolarHBondContact O-N 3.2Å; S358-I360 VanDerWaalsContact C-N 3.33Å; S358-I360 PolarHBondContact O-N 2.97Å
359D94.3Very high72.4Confident0 Ų055.6 Ų55.60%032%0.315CS..THydrogen-bonded Turntrans62.837.9173-38.8-77000112.7Y169 G293 K294 P295 K296 F428 R430Y169-D359 HydrophobicContact CE1-CB 4.42Å; Y169-D359 WeakPolarHBondContact CE1-OD1 3.42Å; Y169-D359 PolarHBondContact OH-OD1 2.91Å; G293-D359 WeakPolarHBondContact CA-OD2 3.27Å; K294-D359 VanDerWaalsContact O-CB 3.28Å; K294-D359 WeakPolarHBondContact O-CB 3.42Å; P295-D359 CarbonylContact C-O 3.58Å; K296-D359 WeakPolarHBondContact CE-O 3.46Å; K296-D359 PolarHBondContact N-O 2.91Å; K296-D359 PolarHBondContact NZ-O 3.39Å; D359-F428 WeakPolarHBondContact CA-O 3.38Å; D359-F428 PolarHBondContact N-O 2.72Å; D359-R430 VanDerWaalsContact CG-NH2 3.3Å; D359-R430 IonicContact OD1-CZ 3.74Å; D359-R430 IonicContact OD1-NE 3.93Å; D359-R430 PolarHBondContact OD1-NE 3.41Å; D359-R430 IonicContact OD1-NH2 2.92Å; D359-R430 PolarHBondContact OD1-NH2 2.84Å; D359-R430 IonicContact OD2-CZ 2.75Å; D359-R430 IonicContact OD2-NE 3.42Å; D359-R430 PolarHBondContact OD2-NE 3.09Å; D359-R430 IonicContact OD2-NH2 2.8Å; D359-R430 PolarHBondContact OD2-NH2 2.85Å
360I95.9Very high73.9Confident2 Ų252.3 Ų52.31%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-108.7134.6174-66.1177000109F262 T280 K296 F298 P357 S358 V362 F428F262-I360 HydrophobicContact CZ-CG2 3.97Å; T280-I360 HydrophobicContact CG2-CG2 4.33Å; K296-I360 HydrophobicContact CB-CG1 4.29Å; K296-I360 HydrophobicContact CD-CG1 4.35Å; K296-I360 WeakPolarHBondContact O-CA 3.44Å; F298-I360 HydrophobicContact CD2-CG2 4.1Å; F298-I360 HydrophobicContact CE2-CG2 4.05Å; P357-I360 HydrophobicContact CB-CD1 4.24Å; S358-I360 VanDerWaalsContact C-N 3.33Å; S358-I360 PolarHBondContact O-N 2.97Å; I360-V362 HydrophobicContact CG2-CG2 3.88Å; I360-F428 CarbonylContact O-C 3.54Å; I360-F428 VanDerWaalsContact O-CA 3.31Å; I360-F428 WeakPolarHBondContact O-CA 3.3Å; I360-F428 WeakPolarHBondContact O-CB 3.33Å; I360-F428 PolarHBondContact O-N 3.21Å
361L97.4Very high75.9Confident0 Ų049.7 Ų49.70%027%0.271CS..EExtended strand (participates in β ladder)trans-126128.7165.7-173.8150.1000108.9K296 L297 F298 L399 L403 F426 N427 L429K296-L361 PolarHBondContact O-N 3.48Å; L297-L361 HydrophobicContact CD2-CB 3.84Å; F298-L361 PolarHBondContact N-O 2.78Å; L361-L399 HydrophobicContact CD1-CD2 4.15Å; L361-L399 HydrophobicContact CD1-CG 4.41Å; L361-L403 HydrophobicContact CD1-CD1 4.07Å; L361-L403 HydrophobicContact CD2-CD1 3.65Å; L361-L403 HydrophobicContact CG-CD1 4.48Å; L361-F426 WeakPolarHBondContact CA-O 3.45Å; L361-N427 HydrophobicContact CD1-CB 4.34Å; L361-L429 HydrophobicContact CB-CD1 4.21Å; L361-L429 HydrophobicContact CB-CD2 4.29Å; L361-L429 HydrophobicContact CB-CG 4.06Å; L361-L429 HydrophobicContact CD1-CD1 3.75Å; L361-L429 HydrophobicContact CD1-CG 4.26Å
362V97.1Very high77.4Confident0 Ų040.2 Ų40.20%024%0.237CC..EExtended strand (participates in β ladder)trans-119.8109.5173.8-169.30000108.8F262 V276 T280 F298 I300 I360 Y364 S425 F426F262-V362 HydrophobicContact CD1-CB 4.27Å; F262-V362 HydrophobicContact CD1-CG2 3.76Å; F262-V362 HydrophobicContact CE1-CB 4.18Å; F262-V362 HydrophobicContact CE1-CG2 3.47Å; F262-V362 VanDerWaalsContact CE1-CG2 3.47Å; F262-V362 HydrophobicContact CG-CG2 4.46Å; F262-V362 HydrophobicContact CZ-CG2 3.96Å; V276-V362 HydrophobicContact CG1-CG1 3.83Å; T280-V362 HydrophobicContact CG2-CG2 3.66Å; F298-V362 HydrophobicContact CB-CB 4.35Å; F298-V362 HydrophobicContact CB-CG1 4.06Å; F298-V362 HydrophobicContact CB-CG2 4.16Å; F298-V362 HydrophobicContact CD2-CG2 4.14Å; F298-V362 HydrophobicContact CG-CG2 4.44Å; F298-V362 CarbonylContact O-C 3.53Å; F298-V362 WeakPolarHBondContact O-CA 3.44Å; I300-V362 HydrophobicContact CG1-CG1 3.92Å; I360-V362 HydrophobicContact CG2-CG2 3.88Å; V362-Y364 HydrophobicContact CB-CE2 3.95Å; V362-Y364 HydrophobicContact CG1-CD2 3.92Å; V362-Y364 HydrophobicContact CG1-CE2 3.3Å; V362-S425 CarbonylContact O-C 3.6Å; V362-S425 WeakPolarHBondContact O-CA 3.45Å; V362-F426 PolarHBondContact N-O 3Å; V362-F426 PolarHBondContact O-N 3Å
363S97.1Very high79Confident0 Ų035.7 Ų35.70%020%0.204CC..EExtended strand (participates in β ladder)trans-97131.6172.3-172.80000110.2F298 I300 Y382 L403 G424F298-S363 PolarHBondContact O-N 3.44Å; I300-S363 PolarHBondContact N-O 3.38Å; S363-Y382 VanDerWaalsContact CB-OH 3.3Å; S363-Y382 WeakPolarHBondContact CB-OH 3.45Å; S363-Y382 PolarHBondContact OG-OH 2.86Å; S363-L403 WeakPolarHBondContact OG-CD2 3.5Å; S363-G424 CarbonylContact C-O 3.3Å; S363-G424 WeakPolarHBondContact CA-O 3.46Å; S363-G424 PolarHBondContact OG-O 3.3Å
364Y94.6Very high80.6Confident19 Ų1934 Ų348%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-111.1138.4179.8-70.3-100000109.2P263 V276 I300 V362 T366 P423 G424 F426P263-Y364 WeakPolarHBondContact CD-OH 3.43Å; P263-Y364 HydrophobicContact CG-CE1 4.36Å; P263-Y364 HydrophobicContact CG-CE2 4.4Å; P263-Y364 VanDerWaalsContact O-CE1 3.28Å; P263-Y364 WeakPolarHBondContact O-CE1 3.44Å; P263-Y364 PolarHBondContact O-OH 2.89Å; V276-Y364 WeakPolarHBondContact CG1-OH 3.49Å; V276-Y364 HydrophobicContact CG2-CE1 4.18Å; I300-Y364 HydrophobicContact CB-CD1 4.22Å; I300-Y364 HydrophobicContact CG2-CD1 4.28Å; I300-Y364 HydrophobicContact CG2-CE1 4.46Å; V362-Y364 HydrophobicContact CB-CE2 3.95Å; V362-Y364 HydrophobicContact CG1-CD2 3.92Å; V362-Y364 HydrophobicContact CG1-CE2 3.3Å; Y364-T366 PolarHBondContact O-N 2.93Å; Y364-P423 WeakPolarHBondContact O-CA 3.32Å; Y364-P423 WeakPolarHBondContact O-CB 3.42Å; Y364-G424 PolarHBondContact N-O 3.44Å; Y364-G424 PolarHBondContact O-N 2.96Å; Y364-F426 HydrophobicContact CD2-CD2 4.14Å; Y364-F426 HydrophobicContact CD2-CE2 4.49Å; Y364-F426 AromaticContact CE2-CD2 3.71Å; Y364-F426 HydrophobicContact CE2-CD2 3.71Å; Y364-F426 HydrophobicContact CE2-CE2 4.1Å
365S89Confident81.6Confident0 Ų033.6 Ų33.60%018%0.18CC..SBendtrans-69-18.4-179.664.60000114.5I300 Q301 A302 S372 Y382 Q421I300-S365 PolarHBondContact O-N 3.28Å; Q301-S365 PolarHBondContact NE2-OG 3.04Å; Q301-S365 PolarHBondContact OE1-OG 3.45Å; A302-S365 PolarHBondContact O-OG 2.68Å; S365-S372 PolarHBondContact OG-OG 2.89Å; S365-Y382 VanDerWaalsContact CB-CG 3.43Å; S365-Q421 PolarHBondContact O-NE2 3.16Å
366T82.1Confident82Confident3 Ų333.2 Ų33.22%0.01818%0.176CC..SBendtrans-152.2160.2179-164.80000109.6Y364 F370 V371 M422Y364-T366 PolarHBondContact O-N 2.93Å; T366-F370 WeakPolarHBondContact CG2-O 3.23Å; T366-V371 PolarHBondContact OG1-O 3.01Å; T366-M422 CarbonylContact C-O 3.58Å; T366-M422 VanDerWaalsContact C-O 3.3Å; T366-M422 WeakPolarHBondContact CA-O 3.1Å
367F78Confident82.3Confident123 Ų12338.2 Ų38.254%0.53919%0.191SC..  trans-65.4140.2177.7-167.2-91.4000109.8G369 F370 M422F367-G369 PolarHBondContact O-N 2.89Å; F367-F370 HydrophobicContact CB-CD2 3.97Å; F367-F370 AromaticContact CD1-CD2 3.85Å; F367-F370 HydrophobicContact CD1-CD2 3.85Å; F367-F370 AromaticContact CD1-CE2 3.8Å; F367-F370 HydrophobicContact CD1-CE2 3.8Å; F367-F370 HydrophobicContact CG-CD2 4.39Å; F367-F370 PolarHBondContact O-N 3.04Å; F367-M422 PolarHBondContact N-O 3.45Å
368P72.3Confident82.3Confident43 Ų4337.1 Ų37.128%0.27919%0.187SC..THydrogen-bonded Turntrans-51.9136.2176.7-26.935.2000112.1P263P263-P368 HydrophobicContact CB-CB 3.95Å; P263-P368 HydrophobicContact CB-CG 3.78Å; P263-P368 HydrophobicContact CG-CB 4.28Å; P263-P368 HydrophobicContact CG-CG 3.54Å
369G62.8Low82.4Confident9 Ų936.5 Ų36.59%0.09318%0.183CC..THydrogen-bonded Turntrans96.6-25.9-17000000114.8G304 G305 E307 F367G304-G369 VanDerWaalsContact C-N 3.31Å; G304-G369 PolarHBondContact O-N 3.32Å; G305-G369 CarbonylContact C-O 3.57Å; G305-G369 VanDerWaalsContact C-O 3.3Å; G305-G369 WeakPolarHBondContact CA-O 3.23Å; E307-G369 WeakPolarHBondContact CB-O 3.4Å; E307-G369 PolarHBondContact N-O 3.31Å; E307-G369 VanDerWaalsContact N-O 3.09Å; F367-G369 PolarHBondContact O-N 2.89Å
370F69.1Low82.2Confident54 Ų5436.5 Ų36.524%0.23718%0.183CC..BIsolated β-bridgetrans-103.6157.5-170.2-63.9-84.7000115G304 G305 E307 D309 T366 F367G304-F370 WeakPolarHBondContact CA-O 3.49Å; G304-F370 PolarHBondContact N-O 2.95Å; G305-F370 PolarHBondContact N-O 3.42Å; G305-F370 VanDerWaalsContact N-O 3.15Å; G305-F370 CarbonylContact O-C 3.58Å; E307-F370 HydrophobicContact CB-CD1 4Å; E307-F370 HydrophobicContact CB-CE1 4.15Å; E307-F370 CarbonylContact O-C 3.58Å; E307-F370 WeakPolarHBondContact O-CA 3.29Å; D309-F370 HydrophobicContact CB-CD1 3.71Å; D309-F370 HydrophobicContact CB-CE1 3.83Å; T366-F370 WeakPolarHBondContact CG2-O 3.23Å; F367-F370 HydrophobicContact CB-CD2 3.97Å; F367-F370 AromaticContact CD1-CD2 3.85Å; F367-F370 HydrophobicContact CD1-CD2 3.85Å; F367-F370 AromaticContact CD1-CE2 3.8Å; F367-F370 HydrophobicContact CD1-CE2 3.8Å; F367-F370 HydrophobicContact CG-CD2 4.39Å; F367-F370 PolarHBondContact O-N 3.04Å
371V74.3Confident81.9Confident25 Ų2538.3 Ų38.315%0.15219%0.19CC..  trans-67.8148.4172.8172.10000111.2E307 R308 T366 W373E307-V371 WeakPolarHBondContact O-CG2 3.47Å; E307-V371 PolarHBondContact O-N 3.04Å; R308-V371 HydrophobicContact CG-CG2 4.03Å; T366-V371 PolarHBondContact OG1-O 3.01Å; V371-W373 HydrophobicContact CG1-CD2 4.41Å; V371-W373 HydrophobicContact CG1-CZ2 4.34Å
372S72.4Confident81.8Confident12 Ų1238.3 Ų38.38%0.08419%0.19CC..  trans-113.1126.8169-172.40000109.8Q301 S365 Q421Q301-S372 PolarHBondContact NE2-OG 3.33Å; Q301-S372 PolarHBondContact OE1-OG 3.15Å; S365-S372 PolarHBondContact OG-OG 2.89Å; S372-Q421 PolarHBondContact OG-NE2 3.23Å
373W76.4Confident81.7Confident45 Ų4538.4 Ų38.417%0.1719%0.19CC..  trans-88.8147.7-171.8-62.594.8000113.1V371 W381 A415 Y419 K420V371-W373 HydrophobicContact CG1-CD2 4.41Å; V371-W373 HydrophobicContact CG1-CZ2 4.34Å; W373-W381 HydrophobicContact CB-CD2 3.97Å; W373-W381 HydrophobicContact CB-CE3 3.86Å; W373-W381 HydrophobicContact CB-CH2 3.99Å; W373-W381 HydrophobicContact CB-CZ2 4.13Å; W373-W381 HydrophobicContact CB-CZ3 3.87Å; W373-W381 AromaticContact CD1-CH2 3.96Å; W373-W381 AromaticContact CD1-CZ3 3.61Å; W373-W381 HydrophobicContact CG-CE3 4.36Å; W373-W381 AromaticContact CG-CH2 3.95Å; W373-W381 HydrophobicContact CG-CH2 3.95Å; W373-W381 HydrophobicContact CG-CZ2 4.47Å; W373-W381 AromaticContact CG-CZ3 3.9Å; W373-W381 HydrophobicContact CG-CZ3 3.9Å; W373-W381 PolarHBondContact O-N 3.09Å; W373-A415 HydrophobicContact CD2-CB 3.69Å; W373-A415 HydrophobicContact CE3-CB 3.77Å; W373-A415 HydrophobicContact CG-CB 4.17Å; W373-A415 HydrophobicContact CH2-CB 4.4Å; W373-A415 HydrophobicContact CZ2-CB 4.33Å; W373-A415 HydrophobicContact CZ3-CB 4.12Å; W373-Y419 AromaticContact CH2-CD2 3.75Å; W373-Y419 HydrophobicContact CH2-CD2 3.75Å; W373-Y419 HydrophobicContact CH2-CE2 4.33Å; W373-Y419 AromaticContact CH2-CG 3.92Å; W373-Y419 HydrophobicContact CH2-CG 3.92Å; W373-Y419 HydrophobicContact CZ2-CD1 4.11Å; W373-Y419 AromaticContact CZ2-CD2 3.82Å; W373-Y419 HydrophobicContact CZ2-CD2 3.82Å; W373-Y419 AromaticContact CZ2-CG 3.49Å; W373-Y419 HydrophobicContact CZ2-CG 3.49Å; W373-Y419 VanDerWaalsContact CZ2-CG 3.49Å; W373-K420 PolarHBondContact NE1-O 2.91Å
374R82.6Confident81.6Confident72 Ų7242 Ų4227%0.27221%0.206SC..EExtended strand (participates in β ladder)trans-146.7131.3179.1171172.84658.514111.1K197K197-R374 PolarHBondContact O-NH1 3.5Å
375D78.8Confident81.7Confident71 Ų7141.6 Ų41.638%0.3821%0.206SC..EExtended strand (participates in β ladder)trans-83.9149.5163.7-180-104.6000110.8K377 A378 G379D375-K377 VanDerWaalsContact C-N 3.34Å; D375-K377 PolarHBondContact O-N 3.43Å; D375-K377 WeakPolarHBondContact OD1-CA 3.32Å; D375-K377 WeakPolarHBondContact OD1-CB 3.44Å; D375-K377 PolarHBondContact OD1-N 2.89Å; D375-A378 HydrophobicContact CB-CB 4.22Å; D375-A378 PolarHBondContact OD1-N 2.87Å; D375-G379 PolarHBondContact N-O 2.78Å; D375-G379 PolarHBondContact O-N 2.86Å
376T76.6Confident82.1Confident81 Ų8141.6 Ų41.650%0.49721%0.206SC..THydrogen-bonded Turntrans-80.1-11.8-175.958.60000114.7K197K197-T376 HydrophobicContact CB-CG2 4.23Å
377K76.1Confident82.9Confident175 Ų17542.1 Ų42.176%0.76121%0.209SC*.THydrogen-bonded Turntrans-120.5-30.8-177.4-61.1-178.7-179.9-179.90113.7I201 D375I201-K377 WeakPolarHBondContact CD1-O 3.29Å; D375-K377 VanDerWaalsContact C-N 3.34Å; D375-K377 PolarHBondContact O-N 3.43Å; D375-K377 WeakPolarHBondContact OD1-CA 3.32Å; D375-K377 WeakPolarHBondContact OD1-CB 3.44Å; D375-K377 PolarHBondContact OD1-N 2.89Å
378A77.9Confident83.8Confident33 Ų3340.2 Ų40.227%0.27320%0.198SC..THydrogen-bonded Turntrans-92.2-34.6178.600000113K205 D375K205-A378 PolarHBondContact NZ-O 3.25Å; D375-A378 HydrophobicContact CB-CB 4.22Å; D375-A378 PolarHBondContact OD1-N 2.87Å
379G85.1Confident85Confident0 Ų038.3 Ų38.30%019%0.186CC..EExtended strand (participates in β ladder)trans117.1-167.3-171.600000112.5D202 D375D202-G379 WeakPolarHBondContact OD1-CA 3.31Å; D375-G379 PolarHBondContact N-O 2.78Å; D375-G379 PolarHBondContact O-N 2.86Å
380S89.8Confident86.7Confident0 Ų037.9 Ų37.90%018%0.181CC..EExtended strand (participates in β ladder)trans-82.1140.3171.652.70000111.4D202 Q301 Y382 I383 E384D202-S380 VanDerWaalsContact CG-N 3.34Å; D202-S380 PolarHBondContact OD1-N 2.87Å; D202-S380 PolarHBondContact OD1-OG 2.97Å; D202-S380 WeakPolarHBondContact OD2-CB 3.44Å; D202-S380 PolarHBondContact OD2-N 3.45Å; D202-S380 VanDerWaalsContact OD2-N 3.08Å; D202-S380 PolarHBondContact OD2-OG 3.24Å; Q301-S380 PolarHBondContact OE1-OG 3.47Å; S380-Y382 PolarHBondContact O-N 2.95Å; S380-I383 PolarHBondContact O-N 3.39Å; S380-I383 VanDerWaalsContact O-N 3.15Å; S380-I383 WeakPolarHBondContact OG-CB 3.35Å; S380-I383 WeakPolarHBondContact OG-CG1 3.23Å; S380-E384 WeakPolarHBondContact O-CB 3.48Å; S380-E384 PolarHBondContact O-N 3.23Å
381W90.4Very high88Confident40 Ų4041 Ų4115%0.15220%0.197CC..Hα-helixtrans-55.6-41.9-177.7-64.2-21.2000112W373 E384 T385 V410 N413 A415 Q421W373-W381 HydrophobicContact CB-CD2 3.97Å; W373-W381 HydrophobicContact CB-CE3 3.86Å; W373-W381 HydrophobicContact CB-CH2 3.99Å; W373-W381 HydrophobicContact CB-CZ2 4.13Å; W373-W381 HydrophobicContact CB-CZ3 3.87Å; W373-W381 AromaticContact CD1-CH2 3.96Å; W373-W381 AromaticContact CD1-CZ3 3.61Å; W373-W381 HydrophobicContact CG-CE3 4.36Å; W373-W381 AromaticContact CG-CH2 3.95Å; W373-W381 HydrophobicContact CG-CH2 3.95Å; W373-W381 HydrophobicContact CG-CZ2 4.47Å; W373-W381 AromaticContact CG-CZ3 3.9Å; W373-W381 HydrophobicContact CG-CZ3 3.9Å; W373-W381 PolarHBondContact O-N 3.09Å; W381-E384 PolarHBondContact O-N 2.69Å; W381-T385 VanDerWaalsContact O-CB 3.29Å; W381-T385 WeakPolarHBondContact O-CB 3.29Å; W381-T385 PolarHBondContact O-N 3.08Å; W381-T385 PolarHBondContact O-OG1 2.85Å; W381-T385 VanDerWaalsContact O-OG1 3.09Å; W381-V410 HydrophobicContact CB-CG1 4.37Å; W381-V410 HydrophobicContact CE3-CG1 4.39Å; W381-N413 HydrophobicContact CD2-CB 3.97Å; W381-N413 HydrophobicContact CE3-CB 3.72Å; W381-N413 HydrophobicContact CH2-CB 4.07Å; W381-N413 HydrophobicContact CZ2-CB 4.28Å; W381-N413 HydrophobicContact CZ3-CB 3.77Å; W381-A415 HydrophobicContact CH2-CB 3.5Å; W381-A415 VanDerWaalsContact CH2-CB 3.5Å; W381-A415 HydrophobicContact CZ2-CB 3.75Å; W381-Q421 HydrophobicContact CE3-CB 4.14Å; W381-Q421 HydrophobicContact CZ3-CB 4.03Å
382Y94.7Very high89Confident0 Ų045.3 Ų45.30%022%0.215CC..Hα-helixtrans-63.5-45.2179.4169.3-103.8000112.3Q301 S363 S365 S380 L386 V406 P423Q301-Y382 HydrophobicContact CB-CD1 4.47Å; S363-Y382 VanDerWaalsContact CB-OH 3.3Å; S363-Y382 WeakPolarHBondContact CB-OH 3.45Å; S363-Y382 PolarHBondContact OG-OH 2.86Å; S365-Y382 VanDerWaalsContact CB-CG 3.43Å; S380-Y382 PolarHBondContact O-N 2.95Å; Y382-L386 HydrophobicContact CE1-CD2 4.18Å; Y382-L386 WeakPolarHBondContact O-CB 3.49Å; Y382-L386 PolarHBondContact O-N 3.07Å; Y382-V406 HydrophobicContact CD2-CG1 3.7Å; Y382-V406 HydrophobicContact CE2-CG1 3.85Å; Y382-P423 HydrophobicContact CD2-CB 3.72Å; Y382-P423 HydrophobicContact CD2-CG 3.89Å; Y382-P423 HydrophobicContact CE2-CB 3.99Å
383I96.3Very high90.2Very high1 Ų146 Ų461%0.00522%0.218CC..Hα-helixtrans-72.9-36.3179-62.8-52.7000112.1D202 L206 L251 Q301 S380 L386 D387D202-I383 HydrophobicContact CB-CB 4.11Å; D202-I383 HydrophobicContact CB-CG1 4.27Å; D202-I383 HydrophobicContact CB-CG2 3.75Å; L206-I383 HydrophobicContact CD1-CD1 3.68Å; L206-I383 HydrophobicContact CD1-CG1 4.18Å; L206-I383 HydrophobicContact CD1-CG2 3.76Å; L206-I383 HydrophobicContact CD2-CD1 4.32Å; L206-I383 HydrophobicContact CD2-CG2 3.95Å; L206-I383 HydrophobicContact CG-CD1 4.46Å; L206-I383 HydrophobicContact CG-CG2 3.66Å; L251-I383 HydrophobicContact CD2-CD1 4.23Å; L251-I383 HydrophobicContact CD2-CG1 4.24Å; Q301-I383 HydrophobicContact CB-CD1 4.18Å; Q301-I383 HydrophobicContact CB-CG1 4.14Å; Q301-I383 HydrophobicContact CG-CG1 4.01Å; S380-I383 PolarHBondContact O-N 3.39Å; S380-I383 VanDerWaalsContact O-N 3.15Å; S380-I383 WeakPolarHBondContact OG-CB 3.35Å; S380-I383 WeakPolarHBondContact OG-CG1 3.23Å; I383-L386 HydrophobicContact CD1-CD2 4.19Å; I383-L386 PolarHBondContact O-N 3.25Å; I383-D387 WeakPolarHBondContact O-CB 3.44Å; I383-D387 PolarHBondContact O-N 3.39Å
384E94.4Very high91.1Very high75 Ų7543.9 Ų43.935%0.3521%0.21SC..Hα-helixtrans-62.2-47.7174.4177.1152.4-112.100112.3K205 S380 W381 R388K205-E384 IonicContact NZ-OE1 2.82Å; K205-E384 PolarHBondContact NZ-OE1 2.91Å; S380-E384 WeakPolarHBondContact O-CB 3.48Å; S380-E384 PolarHBondContact O-N 3.23Å; W381-E384 PolarHBondContact O-N 2.69Å; E384-R388 WeakPolarHBondContact O-CB 3.39Å; E384-R388 PolarHBondContact O-N 3.37Å
385T96.8Very high91.5Very high11 Ų1144 Ų447%0.06723%0.226CC..Hα-helixtrans-66.4-41.8174.5-63.90000111.5W381 R388 I389 V406 E409 V410W381-T385 VanDerWaalsContact O-CB 3.29Å; W381-T385 WeakPolarHBondContact O-CB 3.29Å; W381-T385 PolarHBondContact O-N 3.08Å; W381-T385 PolarHBondContact O-OG1 2.85Å; W381-T385 VanDerWaalsContact O-OG1 3.09Å; T385-R388 PolarHBondContact O-N 3.45Å; T385-I389 HydrophobicContact CG2-CD1 3.54Å; T385-I389 HydrophobicContact CG2-CG1 4.26Å; T385-I389 WeakPolarHBondContact O-CB 3.27Å; T385-I389 WeakPolarHBondContact O-CG1 3.38Å; T385-I389 PolarHBondContact O-N 3.27Å; T385-V406 HydrophobicContact CG2-CB 4.27Å; T385-V406 HydrophobicContact CG2-CG1 4.09Å; T385-V406 HydrophobicContact CG2-CG2 4.27Å; T385-E409 HydrophobicContact CG2-CB 3.79Å; T385-V410 HydrophobicContact CG2-CG2 4.08Å
386L97.7Very high92.2Very high1 Ų144.9 Ų44.91%0.00524%0.235CC..Hα-helixtrans-62.8-47.1178.9179.365.6000112.5L206 F299 Y382 I383 R388 I389 L390 L403 V406L206-L386 HydrophobicContact CD2-CD2 4.28Å; F299-L386 HydrophobicContact CD1-CD2 3.78Å; F299-L386 HydrophobicContact CE1-CD1 4.35Å; F299-L386 HydrophobicContact CE1-CD2 4.15Å; Y382-L386 HydrophobicContact CE1-CD2 4.18Å; Y382-L386 WeakPolarHBondContact O-CB 3.49Å; Y382-L386 PolarHBondContact O-N 3.07Å; I383-L386 HydrophobicContact CD1-CD2 4.19Å; I383-L386 PolarHBondContact O-N 3.25Å; L386-R388 PolarHBondContact O-N 3.01Å; L386-I389 PolarHBondContact O-N 3.22Å; L386-L390 HydrophobicContact CD1-CD1 3.82Å; L386-L390 HydrophobicContact CD1-CG 4.05Å; L386-L390 HydrophobicContact CG-CD1 3.87Å; L386-L390 HydrophobicContact CG-CG 4.45Å; L386-L390 WeakPolarHBondContact O-CB 3.46Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 2.88Å; L386-L403 HydrophobicContact CD1-CD2 4.05Å; L386-V406 HydrophobicContact CB-CG2 4.32Å; L386-V406 HydrophobicContact CD1-CG2 3.98Å
387D97.8Very high93.1Very high14 Ų1444.1 Ų44.18%0.07523%0.225CC..Hα-helixtrans-59-47.1177.5178.231.6000111.3K205 R209 I383 L390 E391K205-D387 HydrophobicContact CB-CB 4.19Å; K205-D387 WeakPolarHBondContact CB-OD2 3.34Å; K205-D387 WeakPolarHBondContact CG-OD2 3.3Å; R209-D387 IonicContact CZ-OD1 3.08Å; R209-D387 VanDerWaalsContact CZ-OD1 3.27Å; R209-D387 PolarHBondContact NE-O 3.5Å; R209-D387 IonicContact NE-OD1 3.91Å; R209-D387 PolarHBondContact NE-OD1 2.68Å; R209-D387 IonicContact NH2-OD1 3.77Å; R209-D387 PolarHBondContact NH2-OD1 2.73Å; I383-D387 WeakPolarHBondContact O-CB 3.44Å; I383-D387 PolarHBondContact O-N 3.39Å; D387-L390 PolarHBondContact O-N 3.21Å; D387-E391 PolarHBondContact O-N 2.63Å
388R97.3Very high94.1Very high83 Ų8336.5 Ų36.531%0.31319%0.193SC..Hα-helixtrans-66.3-44-179.4-168.2-17060.165.814.1112.5E384 T385 L386 L390 E391 E392 E409E384-R388 WeakPolarHBondContact O-CB 3.39Å; E384-R388 PolarHBondContact O-N 3.37Å; T385-R388 PolarHBondContact O-N 3.45Å; L386-R388 PolarHBondContact O-N 3.01Å; R388-L390 VanDerWaalsContact C-N 3.34Å; R388-L390 PolarHBondContact O-N 2.63Å; R388-E391 WeakPolarHBondContact O-CB 3.26Å; R388-E391 PolarHBondContact O-N 2.77Å; R388-E392 VanDerWaalsContact CG-OE1 3.26Å; R388-E392 WeakPolarHBondContact CG-OE1 3.38Å; R388-E392 IonicContact CZ-OE1 2.81Å; R388-E392 IonicContact CZ-OE2 3.79Å; R388-E392 IonicContact NH1-OE1 2.6Å; R388-E392 PolarHBondContact NH1-OE1 3.34Å; R388-E392 IonicContact NH1-OE2 2.77Å; R388-E392 PolarHBondContact NH1-OE2 2.88Å; R388-E392 WeakPolarHBondContact O-CG 3.48Å; R388-E392 PolarHBondContact O-N 2.9Å; R388-E392 VanDerWaalsContact O-N 3.07Å; R388-E409 IonicContact CZ-OE1 2.73Å; R388-E409 IonicContact CZ-OE2 3.82Å; R388-E409 IonicContact NH2-OE1 3.97Å; R388-E409 PolarHBondContact NH2-OE1 2.93Å; R388-E409 IonicContact NH2-OE2 2.68Å; R388-E409 PolarHBondContact NH2-OE2 3.06Å
389I97.8Very high95Very high2 Ų234.9 Ų34.91%0.0118%0.18CC..Hα-helixtrans-67.2-37.6179-70.7177.6000111.1T385 L386 E392 N393 M402 M405 V406T385-I389 HydrophobicContact CG2-CD1 3.54Å; T385-I389 HydrophobicContact CG2-CG1 4.26Å; T385-I389 WeakPolarHBondContact O-CB 3.27Å; T385-I389 WeakPolarHBondContact O-CG1 3.38Å; T385-I389 PolarHBondContact O-N 3.27Å; L386-I389 PolarHBondContact O-N 3.22Å; I389-E392 PolarHBondContact O-N 2.81Å; I389-N393 VanDerWaalsContact O-CB 3.28Å; I389-N393 WeakPolarHBondContact O-CB 3.24Å; I389-N393 PolarHBondContact O-N 2.6Å; I389-N393 PolarHBondContact O-ND2 3.16Å; I389-M402 HydrophobicContact CG2-CB 3.98Å; I389-M402 HydrophobicContact CG2-CG 4.2Å; I389-M405 HydrophobicContact CD1-CB 3.79Å; I389-M405 HydrophobicContact CG2-CB 4.17Å; I389-M405 HydrophobicContact CG2-SD 4.21Å; I389-V406 HydrophobicContact CB-CG2 4.22Å; I389-V406 HydrophobicContact CD1-CB 4.34Å; I389-V406 HydrophobicContact CD1-CG2 3.75Å; I389-V406 HydrophobicContact CG2-CG2 4.34Å
390L97.3Very high95.6Very high1 Ų136.5 Ų36.51%0.00519%0.193CC..Hα-helixtrans-67.2-34.6173.6-68170.4000112.5R209 L386 D387 R388 A394 M402 F435R209-L390 HydrophobicContact CG-CB 4.06Å; R209-L390 HydrophobicContact CG-CD1 3.86Å; L386-L390 HydrophobicContact CD1-CD1 3.82Å; L386-L390 HydrophobicContact CD1-CG 4.05Å; L386-L390 HydrophobicContact CG-CD1 3.87Å; L386-L390 HydrophobicContact CG-CG 4.45Å; L386-L390 WeakPolarHBondContact O-CB 3.46Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 2.88Å; D387-L390 PolarHBondContact O-N 3.21Å; R388-L390 VanDerWaalsContact C-N 3.34Å; R388-L390 PolarHBondContact O-N 2.63Å; L390-A394 WeakPolarHBondContact O-CB 3.46Å; L390-A394 PolarHBondContact O-N 2.95Å; L390-M402 HydrophobicContact CD2-CE 3.89Å; L390-M402 HydrophobicContact CD2-SD 3.92Å; L390-F435 HydrophobicContact CD2-CD2 4.17Å; L390-F435 HydrophobicContact CD2-CE2 3.7Å
391E96.4Very high95.9Very high120 Ų12038.5 Ų38.556%0.56121%0.205SC*.Hα-helixtrans-58.5-52.8170.5-171.373.3-87.800111.5R209 D387 R388R209-E391 IonicContact CZ-OE1 2.66Å; R209-E391 IonicContact CZ-OE2 2.85Å; R209-E391 VanDerWaalsContact CZ-OE2 3.3Å; R209-E391 IonicContact NH1-OE1 2.74Å; R209-E391 PolarHBondContact NH1-OE1 3.3Å; R209-E391 IonicContact NH1-OE2 3.68Å; R209-E391 PolarHBondContact NH1-OE2 3.25Å; R209-E391 VanDerWaalsContact NH1-OE2 3.08Å; R209-E391 VanDerWaalsContact NH2-CD 3.32Å; R209-E391 IonicContact NH2-OE1 3.31Å; R209-E391 IonicContact NH2-OE2 2.63Å; R209-E391 PolarHBondContact NH2-OE2 3.02Å; D387-E391 PolarHBondContact O-N 2.63Å; R388-E391 WeakPolarHBondContact O-CB 3.26Å; R388-E391 PolarHBondContact O-N 2.77Å
392E96.7Very high96.3Very high114 Ų11436.7 Ų36.753%0.53320%0.198SC..Hα-helixtrans-77.7-26.4-169.3-69.1170.2-16200113.3R388 I389R388-E392 VanDerWaalsContact CG-OE1 3.26Å; R388-E392 WeakPolarHBondContact CG-OE1 3.38Å; R388-E392 IonicContact CZ-OE1 2.81Å; R388-E392 IonicContact CZ-OE2 3.79Å; R388-E392 IonicContact NH1-OE1 2.6Å; R388-E392 PolarHBondContact NH1-OE1 3.34Å; R388-E392 IonicContact NH1-OE2 2.77Å; R388-E392 PolarHBondContact NH1-OE2 2.88Å; R388-E392 WeakPolarHBondContact O-CG 3.48Å; R388-E392 PolarHBondContact O-N 2.9Å; R388-E392 VanDerWaalsContact O-N 3.07Å; I389-E392 PolarHBondContact O-N 2.81Å
393N96.8Very high96.4Very high26 Ų2636.7 Ų36.714%0.13920%0.198CC..Hα-helixtrans-124.6-12-165.1-57.7-85000115.7I389 A395 T396 H397 M402I389-N393 VanDerWaalsContact O-CB 3.28Å; I389-N393 WeakPolarHBondContact O-CB 3.24Å; I389-N393 PolarHBondContact O-N 2.6Å; I389-N393 PolarHBondContact O-ND2 3.16Å; N393-A395 PolarHBondContact O-N 3.25Å; N393-A395 VanDerWaalsContact O-N 3.11Å; N393-T396 PolarHBondContact O-N 2.93Å; N393-T396 PolarHBondContact O-OG1 2.89Å; N393-H397 HydrophobicContact CB-CB 4.31Å; N393-H397 PolarHBondContact O-N 3.13Å; N393-M402 VanDerWaalsContact C-SD 3.59Å; N393-M402 HydrophobicContact CB-CG 3.9Å; N393-M402 HydrophobicContact CB-SD 3.77Å
394A95Very high96.4Very high2 Ų242.6 Ų42.62%0.01723%0.227CC..THydrogen-bonded Turntrans-62.5-24.1-173.300000114.7L213 L390 T396 M402 F435 T437L213-A394 HydrophobicContact CD2-CB 3.75Å; L390-A394 WeakPolarHBondContact O-CB 3.46Å; L390-A394 PolarHBondContact O-N 2.95Å; A394-T396 VanDerWaalsContact C-N 3.33Å; A394-M402 HydrophobicContact CB-CE 4.41Å; A394-M402 HydrophobicContact CB-SD 4.27Å; A394-F435 HydrophobicContact CB-CB 4.4Å; A394-F435 HydrophobicContact CB-CD2 4.35Å; A394-T437 HydrophobicContact CB-CG2 3.95Å
395A92.2Very high96.6Very high74 Ų7441.5 Ų41.561%0.61222%0.223SC*.THydrogen-bonded Turntrans-77.8-13.117600000114.2N393 T437N393-A395 PolarHBondContact O-N 3.25Å; N393-A395 VanDerWaalsContact O-N 3.11Å; A395-T437 HydrophobicContact CB-CG2 4Å
396T92.9Very high96.6Very high90 Ų9041 Ų4155%0.55222%0.22SC*.THydrogen-bonded Turntrans-130.6-30.5-168.352.30000114.5N393 A394N393-T396 PolarHBondContact O-N 2.93Å; N393-T396 PolarHBondContact O-OG1 2.89Å; A394-T396 VanDerWaalsContact C-N 3.33Å
397H95.8Very high96.4Very high65 Ų6542.2 Ų42.230%0.30123%0.226SC..SBendtrans-114.4153-175.5-65.285.2000111.8N393 T401 M402 Y434N393-H397 HydrophobicContact CB-CB 4.31Å; N393-H397 PolarHBondContact O-N 3.13Å; H397-T401 HydrophobicContact CB-CG2 4.4Å; H397-M402 HydrophobicContact CB-CG 3.88Å; H397-M402 WeakPolarHBondContact O-CE 3.26Å; H397-Y434 WeakPolarHBondContact O-CD1 3.37Å
398D96.8Very high96.2Very high14 Ų1445.9 Ų45.98%0.07525%0.246CC..  trans-78.6159.6172.278.894000111.2A400 T401 M402 L432 L433 Y434D398-A400 VanDerWaalsContact C-N 3.32Å; D398-A400 PolarHBondContact O-N 3.43Å; D398-A400 WeakPolarHBondContact OD1-CA 3.36Å; D398-A400 VanDerWaalsContact OD1-CB 3.29Å; D398-A400 WeakPolarHBondContact OD1-CB 3.05Å; D398-A400 PolarHBondContact OD1-N 3.23Å; D398-T401 PolarHBondContact O-N 3.27Å; D398-T401 PolarHBondContact OD1-N 3.36Å; D398-T401 VanDerWaalsContact OD2-CB 3.23Å; D398-T401 WeakPolarHBondContact OD2-CB 3.27Å; D398-T401 PolarHBondContact OD2-OG1 3.18Å; D398-M402 PolarHBondContact O-N 2.93Å; D398-L432 HydrophobicContact CB-CB 4.18Å; D398-L432 HydrophobicContact CB-CD2 4.4Å; D398-L433 CarbonylContact C-O 3.49Å; D398-L433 VanDerWaalsContact CA-O 3.24Å; D398-L433 WeakPolarHBondContact CA-O 3.44Å; D398-Y434 HydrophobicContact CB-CD1 4.3Å; D398-Y434 HydrophobicContact CB-CE1 3.96Å; D398-Y434 HydrophobicContact CB-CE2 4.26Å
399L97.6Very high96.1Very high0 Ų045 Ų450%025%0.245CC..Hα-helixtrans-58-36.5-178.1174.762.4000114L297 F299 L361 M402 L403 L433 F435L297-L399 HydrophobicContact CD1-CD2 3.59Å; L297-L399 HydrophobicContact CD2-CD2 3.66Å; L297-L399 HydrophobicContact CG-CD2 4.22Å; F299-L399 HydrophobicContact CE1-CD1 4.35Å; F299-L399 HydrophobicContact CZ-CD1 4.12Å; L361-L399 HydrophobicContact CD1-CD2 4.15Å; L361-L399 HydrophobicContact CD1-CG 4.41Å; L399-M402 PolarHBondContact O-N 3.33Å; L399-L403 HydrophobicContact CD1-CD1 3.99Å; L399-L403 HydrophobicContact CD1-CG 3.96Å; L399-L403 HydrophobicContact CG-CD1 4.07Å; L399-L403 HydrophobicContact CG-CG 4.44Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.18Å; L399-L433 HydrophobicContact CB-CB 4.31Å; L399-L433 HydrophobicContact CB-CD2 4.25Å; L399-L433 HydrophobicContact CD2-CD1 4.24Å; L399-L433 HydrophobicContact CD2-CD2 4.48Å; L399-L433 PolarHBondContact N-O 3.26Å; L399-F435 HydrophobicContact CB-CE2 4.37Å; L399-F435 HydrophobicContact CD1-CE2 3.93Å; L399-F435 HydrophobicContact CD1-CZ 4.14Å; L399-F435 HydrophobicContact CD2-CZ 4.27Å
400A96.2Very high95.8Very high33 Ų3344.9 Ų44.927%0.27325%0.245SC..Hα-helixtrans-70.5-40.2-179.600000110.8D398 L403 M404D398-A400 VanDerWaalsContact C-N 3.32Å; D398-A400 PolarHBondContact O-N 3.43Å; D398-A400 WeakPolarHBondContact OD1-CA 3.36Å; D398-A400 VanDerWaalsContact OD1-CB 3.29Å; D398-A400 WeakPolarHBondContact OD1-CB 3.05Å; D398-A400 PolarHBondContact OD1-N 3.23Å; A400-L403 PolarHBondContact O-N 3.49Å; A400-M404 PolarHBondContact O-N 2.91Å
401T96.9Very high95.4Very high43 Ų4346.8 Ų46.826%0.26426%0.258SS..Hα-helixtrans-62.4-44.7172.1-61.90000111.8H397 D398 L403 M404 M405H397-T401 HydrophobicContact CB-CG2 4.4Å; D398-T401 PolarHBondContact O-N 3.27Å; D398-T401 PolarHBondContact OD1-N 3.36Å; D398-T401 VanDerWaalsContact OD2-CB 3.23Å; D398-T401 WeakPolarHBondContact OD2-CB 3.27Å; D398-T401 PolarHBondContact OD2-OG1 3.18Å; T401-L403 PolarHBondContact O-N 2.88Å; T401-M404 WeakPolarHBondContact O-CB 3.28Å; T401-M404 PolarHBondContact O-N 2.69Å; T401-M404 VanDerWaalsContact O-N 3.17Å; T401-M405 HydrophobicContact CG2-CE 4.02Å; T401-M405 WeakPolarHBondContact O-CG 3.4Å; T401-M405 PolarHBondContact O-N 2.82Å
402M98.2Very high95Very high1 Ų146.9 Ų46.91%0.00526%0.259CS..Hα-helixtrans-62.5-39.6175.9-72.2-172.8-72.100112.6I389 L390 N393 A394 H397 D398 L399 M404 M405 V406 F435I389-M402 HydrophobicContact CG2-CB 3.98Å; I389-M402 HydrophobicContact CG2-CG 4.2Å; L390-M402 HydrophobicContact CD2-CE 3.89Å; L390-M402 HydrophobicContact CD2-SD 3.92Å; N393-M402 VanDerWaalsContact C-SD 3.59Å; N393-M402 HydrophobicContact CB-CG 3.9Å; N393-M402 HydrophobicContact CB-SD 3.77Å; A394-M402 HydrophobicContact CB-CE 4.41Å; A394-M402 HydrophobicContact CB-SD 4.27Å; H397-M402 HydrophobicContact CB-CG 3.88Å; H397-M402 WeakPolarHBondContact O-CE 3.26Å; D398-M402 PolarHBondContact O-N 2.93Å; L399-M402 PolarHBondContact O-N 3.33Å; M402-M404 VanDerWaalsContact C-N 3.32Å; M402-M404 PolarHBondContact O-N 3.18Å; M402-M405 WeakPolarHBondContact O-CB 3.4Å; M402-M405 PolarHBondContact O-N 2.78Å; M402-V406 WeakPolarHBondContact O-CG2 3.32Å; M402-V406 PolarHBondContact O-N 2.89Å; M402-F435 HydrophobicContact CE-CD2 3.93Å; M402-F435 HydrophobicContact CE-CE2 4.1Å
403L97.8Very high94.3Very high1 Ų144.2 Ų44.21%0.00525%0.248CC..Hα-helixtrans-66.3-33174.6-73.2174000112.7F299 L361 S363 L386 L399 A400 T401 M405 V406 N407F299-L403 HydrophobicContact CE1-CD2 4.29Å; L361-L403 HydrophobicContact CD1-CD1 4.07Å; L361-L403 HydrophobicContact CD2-CD1 3.65Å; L361-L403 HydrophobicContact CG-CD1 4.48Å; S363-L403 WeakPolarHBondContact OG-CD2 3.5Å; L386-L403 HydrophobicContact CD1-CD2 4.05Å; L399-L403 HydrophobicContact CD1-CD1 3.99Å; L399-L403 HydrophobicContact CD1-CG 3.96Å; L399-L403 HydrophobicContact CG-CD1 4.07Å; L399-L403 HydrophobicContact CG-CG 4.44Å; L399-L403 WeakPolarHBondContact O-CB 3.47Å; L399-L403 VanDerWaalsContact O-CG 3.28Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.18Å; A400-L403 PolarHBondContact O-N 3.49Å; T401-L403 PolarHBondContact O-N 2.88Å; L403-M405 VanDerWaalsContact C-N 3.35Å; L403-V406 PolarHBondContact O-N 3.46Å; L403-N407 PolarHBondContact O-N 2.74Å; L403-N407 PolarHBondContact O-OD1 3.08Å
404M96.4Very high93.4Very high124 Ų12446 Ų4661%0.61126%0.262SS*.Hα-helixtrans-64.6-38.6171.5-174.2176.466.100111.9A400 T401 M402 N407 N408A400-M404 PolarHBondContact O-N 2.91Å; T401-M404 WeakPolarHBondContact O-CB 3.28Å; T401-M404 PolarHBondContact O-N 2.69Å; T401-M404 VanDerWaalsContact O-N 3.17Å; M402-M404 VanDerWaalsContact C-N 3.32Å; M402-M404 PolarHBondContact O-N 3.18Å; M404-N407 PolarHBondContact O-N 3.44Å; M404-N408 PolarHBondContact O-N 2.96Å
405M97.7Very high92.1Very high52 Ų5246.4 Ų46.426%0.25627%0.266SS..Hα-helixtrans-63.1-42.4172.4-60.7165.416900111.4I389 T401 M402 L403 N407 N408 E409I389-M405 HydrophobicContact CD1-CB 3.79Å; I389-M405 HydrophobicContact CG2-CB 4.17Å; I389-M405 HydrophobicContact CG2-SD 4.21Å; T401-M405 HydrophobicContact CG2-CE 4.02Å; T401-M405 WeakPolarHBondContact O-CG 3.4Å; T401-M405 PolarHBondContact O-N 2.82Å; M402-M405 WeakPolarHBondContact O-CB 3.4Å; M402-M405 PolarHBondContact O-N 2.78Å; L403-M405 VanDerWaalsContact C-N 3.35Å; M405-N407 PolarHBondContact O-N 3.4Å; M405-N408 PolarHBondContact O-N 2.81Å; M405-E409 PolarHBondContact O-N 3.35Å; M405-E409 VanDerWaalsContact O-N 3.08Å
406V97.1Very high90.5Very high0 Ų051.2 Ų51.20%027%0.273CS..Hα-helixtrans-59.1-45.5174.1174.90000111.3Y382 T385 L386 I389 M402 L403 N408 E409 V410Y382-V406 HydrophobicContact CD2-CG1 3.7Å; Y382-V406 HydrophobicContact CE2-CG1 3.85Å; T385-V406 HydrophobicContact CG2-CB 4.27Å; T385-V406 HydrophobicContact CG2-CG1 4.09Å; T385-V406 HydrophobicContact CG2-CG2 4.27Å; L386-V406 HydrophobicContact CB-CG2 4.32Å; L386-V406 HydrophobicContact CD1-CG2 3.98Å; I389-V406 HydrophobicContact CB-CG2 4.22Å; I389-V406 HydrophobicContact CD1-CB 4.34Å; I389-V406 HydrophobicContact CD1-CG2 3.75Å; I389-V406 HydrophobicContact CG2-CG2 4.34Å; M402-V406 WeakPolarHBondContact O-CG2 3.32Å; M402-V406 PolarHBondContact O-N 2.89Å; L403-V406 PolarHBondContact O-N 3.46Å; V406-N408 PolarHBondContact O-N 2.83Å; V406-E409 PolarHBondContact O-N 3.39Å; V406-V410 HydrophobicContact CG1-CG2 4.15Å; V406-V410 VanDerWaalsContact O-CG2 3.31Å; V406-V410 WeakPolarHBondContact O-CG2 3.23Å; V406-V410 PolarHBondContact O-N 3.43Å
407N94.7Very high89.4Confident27 Ų2749.8 Ų49.814%0.14428%0.277CS..Hα-helixtrans-59.2-48.3178.4-63.5-11.9000111.2L403 M404 M405 S411 M422 P423L403-N407 PolarHBondContact O-N 2.74Å; L403-N407 PolarHBondContact O-OD1 3.08Å; M404-N407 PolarHBondContact O-N 3.44Å; M405-N407 PolarHBondContact O-N 3.4Å; N407-S411 WeakPolarHBondContact O-CB 3.4Å; N407-S411 PolarHBondContact O-N 2.65Å; N407-S411 PolarHBondContact O-OG 3.42Å; N407-M422 HydrophobicContact CB-CE 3.95Å; N407-M422 HydrophobicContact CB-SD 4.45Å; N407-P423 WeakPolarHBondContact OD1-CB 3.41Å; N407-P423 PolarHBondContact OD1-O 3.08Å
408N93.4Very high88.2Confident92 Ų9252 Ų5249%0.49229%0.288SS..Hα-helixtrans-56.2-53.7178.9177.540.7000111.2M404 M405 V406 S411 Q412M404-N408 PolarHBondContact O-N 2.96Å; M405-N408 PolarHBondContact O-N 2.81Å; V406-N408 PolarHBondContact O-N 2.83Å; N408-S411 PolarHBondContact O-N 2.84Å; N408-S411 PolarHBondContact O-OG 2.77Å; N408-Q412 PolarHBondContact ND2-NE2 2.94Å; N408-Q412 WeakPolarHBondContact O-CG 3.39Å; N408-Q412 PolarHBondContact O-N 3.42Å; N408-Q412 PolarHBondContact OD1-NE2 3.14Å
409E94.6Very high87.1Confident64 Ų6453.2 Ų53.230%0.29929%0.292SS..Hα-helixtrans-67.1-41.7-176.9-76.4-170.2-142.700113.9T385 R388 M405 V406 S411 Q412 N413T385-E409 HydrophobicContact CG2-CB 3.79Å; R388-E409 IonicContact CZ-OE1 2.73Å; R388-E409 IonicContact CZ-OE2 3.82Å; R388-E409 IonicContact NH2-OE1 3.97Å; R388-E409 PolarHBondContact NH2-OE1 2.93Å; R388-E409 IonicContact NH2-OE2 2.68Å; R388-E409 PolarHBondContact NH2-OE2 3.06Å; M405-E409 PolarHBondContact O-N 3.35Å; M405-E409 VanDerWaalsContact O-N 3.08Å; V406-E409 PolarHBondContact O-N 3.39Å; E409-S411 VanDerWaalsContact C-N 3.28Å; E409-S411 PolarHBondContact O-N 2.82Å; E409-Q412 PolarHBondContact O-N 2.9Å; E409-N413 PolarHBondContact O-N 3.14Å
410V91.6Very high86.4Confident0 Ų056.1 Ų56.10%031%0.305CS..Hα-helixtrans-67.4-32.2179.4179.70000111.3W381 T385 V406 Q412 N413 Q421 P423W381-V410 HydrophobicContact CB-CG1 4.37Å; W381-V410 HydrophobicContact CE3-CG1 4.39Å; T385-V410 HydrophobicContact CG2-CG2 4.08Å; V406-V410 HydrophobicContact CG1-CG2 4.15Å; V406-V410 VanDerWaalsContact O-CG2 3.31Å; V406-V410 WeakPolarHBondContact O-CG2 3.23Å; V406-V410 PolarHBondContact O-N 3.43Å; V410-Q412 VanDerWaalsContact C-N 3.27Å; V410-Q412 PolarHBondContact O-N 3.3Å; V410-N413 WeakPolarHBondContact O-CB 3.26Å; V410-N413 PolarHBondContact O-N 3.45Å; V410-Q421 CarbonylContact C-O 3.6Å; V410-Q421 HydrophobicContact CG1-CB 4.08Å; V410-Q421 HydrophobicContact CG1-CG 3.84Å; V410-P423 HydrophobicContact CB-CG 3.52Å; V410-P423 HydrophobicContact CG1-CG 3.6Å; V410-P423 HydrophobicContact CG2-CG 3.87Å
411S89.5Confident85.8Confident41 Ų4154.7 Ų54.729%0.28729%0.292SS..Hα-helixtrans-66.5-26.3175.7750000113.9N407 N408 E409 K420 Q421N407-S411 WeakPolarHBondContact O-CB 3.4Å; N407-S411 PolarHBondContact O-N 2.65Å; N407-S411 PolarHBondContact O-OG 3.42Å; N408-S411 PolarHBondContact O-N 2.84Å; N408-S411 PolarHBondContact O-OG 2.77Å; E409-S411 VanDerWaalsContact C-N 3.28Å; E409-S411 PolarHBondContact O-N 2.82Å; S411-K420 PolarHBondContact O-NZ 3.43Å; S411-Q421 WeakPolarHBondContact CA-O 3.33Å
412Q86.6Confident85.6Confident122 Ų12256.7 Ų56.757%0.5730%0.3SS*.Hα-helixtrans-74.2-28.9176.1-67.4172.132.700112N408 E409 V410 K420N408-Q412 PolarHBondContact ND2-NE2 2.94Å; N408-Q412 WeakPolarHBondContact O-CG 3.39Å; N408-Q412 PolarHBondContact O-N 3.42Å; N408-Q412 PolarHBondContact OD1-NE2 3.14Å; E409-Q412 PolarHBondContact O-N 2.9Å; V410-Q412 VanDerWaalsContact C-N 3.27Å; V410-Q412 PolarHBondContact O-N 3.3Å; Q412-K420 PolarHBondContact O-NZ 2.73Å
413N83.1Confident85.4Confident57 Ų5756.9 Ų56.931%0.30530%0.301SS..  trans-58.2157.4177.1-69.8-31.1000112.4W381 E409 V410 K420W381-N413 HydrophobicContact CD2-CB 3.97Å; W381-N413 HydrophobicContact CE3-CB 3.72Å; W381-N413 HydrophobicContact CH2-CB 4.07Å; W381-N413 HydrophobicContact CZ2-CB 4.28Å; W381-N413 HydrophobicContact CZ3-CB 3.77Å; E409-N413 PolarHBondContact O-N 3.14Å; V410-N413 WeakPolarHBondContact O-CB 3.26Å; V410-N413 PolarHBondContact O-N 3.45Å; N413-K420 VanDerWaalsContact O-CD 3.27Å; N413-K420 WeakPolarHBondContact O-CD 3.3Å; N413-K420 PolarHBondContact O-NZ 2.74Å
414S78.3Confident85.1Confident63 Ų6357.8 Ų57.844%0.44131%0.311SS..  trans-146.4134.9172.565.40000112Y419S414-Y419 CarbonylContact C-O 3.24Å; S414-Y419 WeakPolarHBondContact CA-O 3.42Å
415A66.6Low85Confident11 Ų1154.1 Ų54.19%0.09130%0.297CS..BIsolated β-bridgetrans-100126.7177.900000108.3W373 W381 G417 M418 Y419W373-A415 HydrophobicContact CD2-CB 3.69Å; W373-A415 HydrophobicContact CE3-CB 3.77Å; W373-A415 HydrophobicContact CG-CB 4.17Å; W373-A415 HydrophobicContact CH2-CB 4.4Å; W373-A415 HydrophobicContact CZ2-CB 4.33Å; W373-A415 HydrophobicContact CZ3-CB 4.12Å; W381-A415 HydrophobicContact CH2-CB 3.5Å; W381-A415 VanDerWaalsContact CH2-CB 3.5Å; W381-A415 HydrophobicContact CZ2-CB 3.75Å; A415-G417 PolarHBondContact O-N 3.28Å; A415-G417 VanDerWaalsContact O-N 3.14Å; A415-M418 PolarHBondContact O-N 3.09Å; A415-M418 VanDerWaalsContact O-N 3.14Å; A415-Y419 PolarHBondContact N-O 2.76Å; A415-Y419 WeakPolarHBondContact O-CD2 3.47Å; A415-Y419 PolarHBondContact O-N 2.98Å
416K59.4Low84.8Confident175 Ų17555.5 Ų55.576%0.76130%0.302SS*.THydrogen-bonded Turntrans54.826.5-173.6-49.8-178.3-177.1178.90113.2M418 Y419K416-M418 PolarHBondContact O-N 3.25Å; K416-Y419 HydrophobicContact CD-CE2 4.27Å
417G68.9Low84.7Confident61 Ų6158.9 Ų58.963%0.62932%0.32SS*.THydrogen-bonded Turntrans706.8-17800000115.7A415A415-G417 PolarHBondContact O-N 3.28Å; A415-G417 VanDerWaalsContact O-N 3.14Å
418M70Confident84.7Confident110 Ų11062.6 Ų62.654%0.54234%0.335SS..THydrogen-bonded Turntrans-132.3-41.4-177.3-59.9-166.4-5400113.6I310 A415 K416I310-M418 CarbonylContact C-O 3.59Å; I310-M418 WeakPolarHBondContact CA-O 3.37Å; A415-M418 PolarHBondContact O-N 3.09Å; A415-M418 VanDerWaalsContact O-N 3.14Å; K416-M418 PolarHBondContact O-N 3.25Å
419Y73.6Confident84.8Confident41 Ų4159.7 Ų59.716%0.16132%0.319CS..BIsolated β-bridgetrans-83.8135.5-169.9-58.9-72.7000112.7R308 D309 I310 W373 S414 A415 K416R308-Y419 HydrophobicContact CB-CD1 3.67Å; R308-Y419 HydrophobicContact CB-CE1 3.62Å; R308-Y419 HydrophobicContact CG-CD1 4.46Å; R308-Y419 HydrophobicContact CG-CE1 4.29Å; D309-Y419 CarbonylContact O-C 3.53Å; D309-Y419 VanDerWaalsContact O-CA 3.23Å; D309-Y419 WeakPolarHBondContact O-CA 3.3Å; I310-Y419 HydrophobicContact CG2-CD1 4.13Å; I310-Y419 HydrophobicContact CG2-CE1 4.18Å; W373-Y419 AromaticContact CH2-CD2 3.75Å; W373-Y419 HydrophobicContact CH2-CD2 3.75Å; W373-Y419 HydrophobicContact CH2-CE2 4.33Å; W373-Y419 AromaticContact CH2-CG 3.92Å; W373-Y419 HydrophobicContact CH2-CG 3.92Å; W373-Y419 HydrophobicContact CZ2-CD1 4.11Å; W373-Y419 AromaticContact CZ2-CD2 3.82Å; W373-Y419 HydrophobicContact CZ2-CD2 3.82Å; W373-Y419 AromaticContact CZ2-CG 3.49Å; W373-Y419 HydrophobicContact CZ2-CG 3.49Å; W373-Y419 VanDerWaalsContact CZ2-CG 3.49Å; S414-Y419 CarbonylContact C-O 3.24Å; S414-Y419 WeakPolarHBondContact CA-O 3.42Å; A415-Y419 PolarHBondContact N-O 2.76Å; A415-Y419 WeakPolarHBondContact O-CD2 3.47Å; A415-Y419 PolarHBondContact O-N 2.98Å; K416-Y419 HydrophobicContact CD-CE2 4.27Å
420K82.8Confident84.7Confident60 Ų6062 Ų6226%0.26133%0.325SS..  trans-104.9170.5-178.8-69.8-57-163.9164.40112.6D309 W373 S411 Q412 N413D309-K420 HydrophobicContact CB-CB 4.3Å; D309-K420 PolarHBondContact O-N 3.15Å; D309-K420 WeakPolarHBondContact OD2-CB 3.3Å; W373-K420 PolarHBondContact NE1-O 2.91Å; S411-K420 PolarHBondContact O-NZ 3.43Å; Q412-K420 PolarHBondContact O-NZ 2.73Å; N413-K420 VanDerWaalsContact O-CD 3.27Å; N413-K420 WeakPolarHBondContact O-CD 3.3Å; N413-K420 PolarHBondContact O-NZ 2.74Å
421Q85.3Confident84.9Confident3 Ų364.5 Ų64.51%0.01434%0.336CS..  trans-154.7127.5175.3179.3173-19.400108.9S365 S372 W381 V410 S411S365-Q421 PolarHBondContact O-NE2 3.16Å; S372-Q421 PolarHBondContact OG-NE2 3.23Å; W381-Q421 HydrophobicContact CE3-CB 4.14Å; W381-Q421 HydrophobicContact CZ3-CB 4.03Å; V410-Q421 CarbonylContact C-O 3.6Å; V410-Q421 HydrophobicContact CG1-CB 4.08Å; V410-Q421 HydrophobicContact CG1-CG 3.84Å; S411-Q421 WeakPolarHBondContact CA-O 3.33Å
422M92.3Very high85.2Confident86 Ų8665.4 Ų65.442%0.42434%0.338SS..  trans-120.1103.8176.2-176.558.8179.100109.2T366 F367 N407T366-M422 CarbonylContact C-O 3.58Å; T366-M422 VanDerWaalsContact C-O 3.3Å; T366-M422 WeakPolarHBondContact CA-O 3.1Å; F367-M422 PolarHBondContact N-O 3.45Å; N407-M422 HydrophobicContact CB-CE 3.95Å; N407-M422 HydrophobicContact CB-SD 4.45Å
423P93.4Very high85.7Confident4 Ų459.7 Ų59.73%0.02631%0.311CS..  trans-65.4165.8170.1-11.325.5000111.1Y364 Y382 N407 V410Y364-P423 WeakPolarHBondContact O-CA 3.32Å; Y364-P423 WeakPolarHBondContact O-CB 3.42Å; Y382-P423 HydrophobicContact CD2-CB 3.72Å; Y382-P423 HydrophobicContact CD2-CG 3.89Å; Y382-P423 HydrophobicContact CE2-CB 3.99Å; N407-P423 WeakPolarHBondContact OD1-CB 3.41Å; N407-P423 PolarHBondContact OD1-O 3.08Å; V410-P423 HydrophobicContact CB-CG 3.52Å; V410-P423 HydrophobicContact CG1-CG 3.6Å; V410-P423 HydrophobicContact CG2-CG 3.87Å
424G91.4Very high86.4Confident21 Ų2161.3 Ų61.322%0.21631%0.313CS..EExtended strand (participates in β ladder)trans-155.6176.5178.800000112.8S363 Y364S363-G424 CarbonylContact C-O 3.3Å; S363-G424 WeakPolarHBondContact CA-O 3.46Å; S363-G424 PolarHBondContact OG-O 3.3Å; Y364-G424 PolarHBondContact N-O 3.44Å; Y364-G424 PolarHBondContact O-N 2.96Å
425S93.8Very high87.2Confident46 Ų4658.9 Ų58.932%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-148.9143.2169.570.70000112.8V362V362-S425 CarbonylContact O-C 3.6Å; V362-S425 WeakPolarHBondContact O-CA 3.45Å
426F93.8Very high88.2Confident81 Ų8161 Ų6136%0.35530%0.303SS..EExtended strand (participates in β ladder)trans-94.3111.1164.1-72.7-91.9000107.8F262 P263 L361 V362 Y364 F428F262-F426 HydrophobicContact CD1-CB 4.3Å; F262-F426 HydrophobicContact CD1-CG 4.44Å; F262-F426 HydrophobicContact CE1-CB 3.87Å; F262-F426 HydrophobicContact CE1-CG 4.42Å; P263-F426 HydrophobicContact CG-CE2 3.7Å; P263-F426 HydrophobicContact CG-CZ 4.08Å; L361-F426 WeakPolarHBondContact CA-O 3.45Å; V362-F426 PolarHBondContact N-O 3Å; V362-F426 PolarHBondContact O-N 3Å; Y364-F426 HydrophobicContact CD2-CD2 4.14Å; Y364-F426 HydrophobicContact CD2-CE2 4.49Å; Y364-F426 AromaticContact CE2-CD2 3.71Å; Y364-F426 HydrophobicContact CE2-CD2 3.71Å; Y364-F426 HydrophobicContact CE2-CE2 4.1Å; F426-F428 HydrophobicContact CB-CE2 4Å
427N94.9Very high89.2Confident72 Ų7255.6 Ų55.639%0.38528%0.284SS..EExtended strand (participates in β ladder)trans-109110.9-173.9-172.9-2.2000110.8L361 L429L361-N427 HydrophobicContact CD1-CB 4.34Å; N427-L429 WeakPolarHBondContact OD1-CB 3.33Å; N427-L429 VanDerWaalsContact OD1-CG 3.26Å; N427-L429 WeakPolarHBondContact OD1-CG 3.5Å; N427-L429 PolarHBondContact OD1-N 3.49Å
428F94.8Very high89.1Confident104 Ų10456.2 Ų56.246%0.45628%0.279SS..  trans-116.426.3172.2-57.2-82.1000111.4F262 D359 I360 F426F262-F428 HydrophobicContact CE1-CD2 4.21Å; F262-F428 AromaticContact CE1-CE2 3.74Å; F262-F428 HydrophobicContact CE1-CE2 3.74Å; F262-F428 AromaticContact CZ-CD2 4Å; F262-F428 HydrophobicContact CZ-CD2 4Å; F262-F428 AromaticContact CZ-CE2 3.77Å; F262-F428 HydrophobicContact CZ-CE2 3.77Å; D359-F428 WeakPolarHBondContact CA-O 3.38Å; D359-F428 PolarHBondContact N-O 2.72Å; I360-F428 CarbonylContact O-C 3.54Å; I360-F428 VanDerWaalsContact O-CA 3.31Å; I360-F428 WeakPolarHBondContact O-CA 3.3Å; I360-F428 WeakPolarHBondContact O-CB 3.33Å; I360-F428 PolarHBondContact O-N 3.21Å; F426-F428 HydrophobicContact CB-CE2 4Å
429L95.2Very high88.2Confident31 Ų3160.6 Ų60.616%0.16232%0.316CS..  trans-70.1147.2167.1-59.9-177.1000110.1Y169 P295 L297 L361 N427 L433Y169-L429 HydrophobicContact CE2-CB 4.05Å; Y169-L429 HydrophobicContact CE2-CD1 4.46Å; Y169-L429 HydrophobicContact CE2-CD2 4.07Å; Y169-L429 HydrophobicContact CE2-CG 4.41Å; P295-L429 HydrophobicContact CB-CD2 4.07Å; L297-L429 HydrophobicContact CD2-CD2 4.5Å; L361-L429 HydrophobicContact CB-CD1 4.21Å; L361-L429 HydrophobicContact CB-CD2 4.29Å; L361-L429 HydrophobicContact CB-CG 4.06Å; L361-L429 HydrophobicContact CD1-CD1 3.75Å; L361-L429 HydrophobicContact CD1-CG 4.26Å; N427-L429 WeakPolarHBondContact OD1-CB 3.33Å; N427-L429 VanDerWaalsContact OD1-CG 3.26Å; N427-L429 WeakPolarHBondContact OD1-CG 3.5Å; N427-L429 PolarHBondContact OD1-N 3.49Å; L429-L433 HydrophobicContact CD1-CB 4.31Å; L429-L433 HydrophobicContact CD1-CD1 4.35Å
430R94.1Very high89Confident113 Ų11361.6 Ų61.643%0.42632%0.324SS..SBendtrans-105.7-6.4-178.8-62.5179.2-64.3125.65.9113.2Y169 D359Y169-R430 PolarHBondContact OH-N 3.23Å; D359-R430 VanDerWaalsContact CG-NH2 3.3Å; D359-R430 IonicContact OD1-CZ 3.74Å; D359-R430 IonicContact OD1-NE 3.93Å; D359-R430 PolarHBondContact OD1-NE 3.41Å; D359-R430 IonicContact OD1-NH2 2.92Å; D359-R430 PolarHBondContact OD1-NH2 2.84Å; D359-R430 IonicContact OD2-CZ 2.75Å; D359-R430 IonicContact OD2-NE 3.42Å; D359-R430 PolarHBondContact OD2-NE 3.09Å; D359-R430 IonicContact OD2-NH2 2.8Å; D359-R430 PolarHBondContact OD2-NH2 2.85Å
431K95.3Very high89.3Confident53 Ų5361.6 Ų61.623%0.2333%0.327CS..SBendtrans-147.7160.8-175.9-57.7-173.9176-176.10109.3Q166 S168 Y169Q166-K431 WeakPolarHBondContact O-CD 3.47Å; Q166-K431 WeakPolarHBondContact O-CE 3.43Å; S168-K431 WeakPolarHBondContact O-CD 3.27Å; Y169-K431 HydrophobicContact CD1-CB 4.41Å; Y169-K431 HydrophobicContact CD1-CD 4.35Å; Y169-K431 HydrophobicContact CD2-CB 3.8Å; Y169-K431 HydrophobicContact CE1-CB 4.39Å; Y169-K431 HydrophobicContact CE2-CB 3.77Å; Y169-K431 WeakPolarHBondContact CE2-O 3.3Å; Y169-K431 HydrophobicContact CG-CB 4.12Å
432L96.6Very high89.5Confident60 Ų6064.9 Ų64.931%0.31434%0.344SS..BIsolated β-bridgetrans-66.5142.3172.4-58.6177.6000110.2Q167 S168 Y169 D398 Y434Q167-L432 HydrophobicContact CG-CD1 4.2Å; Q167-L432 PolarHBondContact O-N 3.27Å; S168-L432 CarbonylContact C-O 3.42Å; S168-L432 WeakPolarHBondContact CA-O 3.11Å; S168-L432 WeakPolarHBondContact CB-O 3.3Å; Y169-L432 PolarHBondContact N-O 2.78Å; D398-L432 HydrophobicContact CB-CB 4.18Å; D398-L432 HydrophobicContact CB-CD2 4.4Å; L432-Y434 HydrophobicContact CB-CD2 4.33Å; L432-Y434 HydrophobicContact CB-CE2 3.68Å; L432-Y434 HydrophobicContact CD1-CE2 4.16Å
433L97.1Very high89.4Confident1 Ų163.6 Ų63.61%0.00534%0.34CS..  trans-117.3109178.3-169.2165.5000109Y169 M171 P295 L297 D398 L399 L429 F435Y169-L433 HydrophobicContact CD2-CB 4.12Å; M171-L433 HydrophobicContact CE-CD2 4.3Å; P295-L433 HydrophobicContact CB-CD1 3.4Å; P295-L433 HydrophobicContact CG-CD1 3.69Å; P295-L433 HydrophobicContact CG-CG 4.49Å; L297-L433 HydrophobicContact CD1-CD1 3.89Å; L297-L433 HydrophobicContact CD2-CD1 3.85Å; L297-L433 HydrophobicContact CG-CD1 4.3Å; D398-L433 CarbonylContact C-O 3.49Å; D398-L433 VanDerWaalsContact CA-O 3.24Å; D398-L433 WeakPolarHBondContact CA-O 3.44Å; L399-L433 HydrophobicContact CB-CB 4.31Å; L399-L433 HydrophobicContact CB-CD2 4.25Å; L399-L433 HydrophobicContact CD2-CD1 4.24Å; L399-L433 HydrophobicContact CD2-CD2 4.48Å; L399-L433 PolarHBondContact N-O 3.26Å; L429-L433 HydrophobicContact CD1-CB 4.31Å; L429-L433 HydrophobicContact CD1-CD1 4.35Å; L433-F435 HydrophobicContact CD2-CD1 3.97Å; L433-F435 HydrophobicContact CD2-CD2 4.47Å; L433-F435 HydrophobicContact CD2-CE1 3.89Å; L433-F435 HydrophobicContact CD2-CE2 4.39Å; L433-F435 HydrophobicContact CD2-CG 4.26Å; L433-F435 HydrophobicContact CD2-CZ 4.11Å
434Y96.6Very high89.1Confident92 Ų9267.4 Ų67.436%0.36136%0.359SS..  trans-100.6136.5169.2-61.6-89.2000108M171 H397 D398 L432M171-Y434 WeakPolarHBondContact CB-O 3.25Å; M171-Y434 WeakPolarHBondContact CG-O 3.14Å; H397-Y434 WeakPolarHBondContact O-CD1 3.37Å; D398-Y434 HydrophobicContact CB-CD1 4.3Å; D398-Y434 HydrophobicContact CB-CE1 3.96Å; D398-Y434 HydrophobicContact CB-CE2 4.26Å; L432-Y434 HydrophobicContact CB-CD2 4.33Å; L432-Y434 HydrophobicContact CB-CE2 3.68Å; L432-Y434 HydrophobicContact CD1-CE2 4.16Å
435F95Very high88.9Confident11 Ų1170.5 Ų70.55%0.04837%0.369CS..  trans-80.7152.3176.4-70.3-71.3000110.9M171 F210 L213 F215 L297 L390 A394 L399 M402 L433 T437M171-F435 HydrophobicContact CE-CD1 4.18Å; F210-F435 HydrophobicContact CE1-CE1 4.36Å; F210-F435 HydrophobicContact CE1-CZ 4.41Å; L213-F435 HydrophobicContact CD1-CB 4.43Å; L213-F435 HydrophobicContact CD1-CD1 4.28Å; L213-F435 HydrophobicContact CD1-CD2 4.08Å; L213-F435 HydrophobicContact CD1-CE2 4.39Å; L213-F435 HydrophobicContact CD1-CG 4.03Å; L213-F435 HydrophobicContact CD2-CB 3.91Å; L213-F435 HydrophobicContact CD2-CG 4.4Å; F215-F435 AromaticContact CE2-CD1 3.89Å; F215-F435 HydrophobicContact CE2-CD1 3.89Å; F215-F435 HydrophobicContact CE2-CE1 4.01Å; F215-F435 HydrophobicContact CZ-CD1 4.18Å; F215-F435 HydrophobicContact CZ-CE1 4.05Å; L297-F435 HydrophobicContact CD1-CE1 4.03Å; L297-F435 HydrophobicContact CD1-CZ 4.01Å; L390-F435 HydrophobicContact CD2-CD2 4.17Å; L390-F435 HydrophobicContact CD2-CE2 3.7Å; A394-F435 HydrophobicContact CB-CB 4.4Å; A394-F435 HydrophobicContact CB-CD2 4.35Å; L399-F435 HydrophobicContact CB-CE2 4.37Å; L399-F435 HydrophobicContact CD1-CE2 3.93Å; L399-F435 HydrophobicContact CD1-CZ 4.14Å; L399-F435 HydrophobicContact CD2-CZ 4.27Å; M402-F435 HydrophobicContact CE-CD2 3.93Å; M402-F435 HydrophobicContact CE-CE2 4.1Å; L433-F435 HydrophobicContact CD2-CD1 3.97Å; L433-F435 HydrophobicContact CD2-CD2 4.47Å; L433-F435 HydrophobicContact CD2-CE1 3.89Å; L433-F435 HydrophobicContact CD2-CE2 4.39Å; L433-F435 HydrophobicContact CD2-CG 4.26Å; L433-F435 HydrophobicContact CD2-CZ 4.11Å; F435-T437 PolarHBondContact O-N 3.05Å
436Q88.1Confident88.6Confident57 Ų5772.2 Ų72.227%0.26637%0.372SS..  trans-78.1106.7166.2-165.1177.72400108.7S173 C176 L213 N214S173-Q436 PolarHBondContact O-OE1 2.92Å; C176-Q436 VanDerWaalsContact SG-CB 3.56Å; C176-Q436 PolarHBondContact SG-OE1 3.19Å; L213-Q436 CarbonylContact C-O 3.51Å; L213-Q436 WeakPolarHBondContact CA-O 3.48Å; N214-Q436 PolarHBondContact ND2-OE1 2.92Å
437T81Confident88.2Confident60 Ų6071.5 Ų71.537%0.36837%0.373SS..  trans-82.2134.9164.853.60000109.1L213 A394 A395 F435L213-T437 HydrophobicContact CD2-CG2 4.03Å; A394-T437 HydrophobicContact CB-CG2 3.95Å; A395-T437 HydrophobicContact CB-CG2 4Å; F435-T437 PolarHBondContact O-N 3.05Å
438S65.9Low87.6Confident75 Ų7571.5 Ų71.552%0.52437%0.372SS..  trans-63.7140.6169.9-59.10000110.2A212A212-S438 PolarHBondContact O-OG 3.44Å
439P52.1Low87Confident201 Ų20168.5 Ų68.5100%1.30537%0.365SS*.  trans-73.90179.632.2-36.7000113.8

Retrieved 439 of 439 residues in 346.6 ms (Link to these results)

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