A0A061I2B5_CRIGR Loading...

calpain-2

AlphaFold DB , UniProt , Accession A0A061I2B5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Capn8, Length 699 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
1M55.4Low74.3Confident183 Ų18387.5 Ų87.590%0.90153%0.529SS*.  0-52.40-71.5-161.5-84.100113.2A3 R4 A5 V697M1-A3 PolarHBondContact O-N 3.14Å; M1-R4 PolarHBondContact O-N 3.45Å; M1-A5 PolarHBondContact O-N 3.19Å; M1-A5 VanDerWaalsContact O-N 3.08Å; M1-V697 HydrophobicContact CE-CG1 4.23Å; M1-V697 HydrophobicContact SD-CG1 4.15Å
2A62.7Low75.1Confident86 Ų8694.9 Ų94.971%0.71154%0.54SS*.Hα-helixtrans-49.6-49-176.400000115.1R4 A5 A6A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 3Å; A2-A5 PolarHBondContact O-N 3.11Å; A2-A6 PolarHBondContact O-N 3.05Å
3A69.6Low75.8Confident76 Ų7689.7 Ų89.763%0.62852%0.516SS*.Hα-helixtrans-61.7-32.8179.900000113.5M1 V7M1-A3 PolarHBondContact O-N 3.14Å; A3-V7 WeakPolarHBondContact O-CG2 3.12Å; A3-V7 PolarHBondContact O-N 2.78Å; A3-V7 VanDerWaalsContact O-N 3.15Å
4R72.5Confident76.3Confident99 Ų9985.9 Ų85.937%0.37450%0.501SS..Hα-helixtrans-82-39.1-178.1-64-62.3179.6178.90.6112.1M1 A2 A6 V7 V8M1-R4 PolarHBondContact O-N 3.45Å; A2-R4 VanDerWaalsContact C-N 3.28Å; A2-R4 PolarHBondContact O-N 3Å; R4-A6 PolarHBondContact O-N 3.07Å; R4-V7 PolarHBondContact O-N 3.41Å; R4-V7 VanDerWaalsContact O-N 3.13Å; R4-V8 WeakPolarHBondContact O-CG2 3.34Å; R4-V8 PolarHBondContact O-N 2.97Å
5A78.4Confident76.7Confident65 Ų6586.5 Ų86.554%0.53752%0.519SS..Hα-helixtrans-57.6-40.3170.100000111M1 A2 V8 S9M1-A5 PolarHBondContact O-N 3.19Å; M1-A5 VanDerWaalsContact O-N 3.08Å; A2-A5 PolarHBondContact O-N 3.11Å; A5-V8 PolarHBondContact O-N 3.32Å; A5-S9 VanDerWaalsContact O-CB 3.3Å; A5-S9 WeakPolarHBondContact O-CB 3.14Å; A5-S9 PolarHBondContact O-N 3.23Å
6A77.5Confident77.3Confident61 Ų6191.4 Ų91.450%0.50454%0.535SS..Hα-helixtrans-63.1-41.9173.900000112.9A2 R4 S9 K10A2-A6 PolarHBondContact O-N 3.05Å; R4-A6 PolarHBondContact O-N 3.07Å; A6-S9 PolarHBondContact O-N 2.69Å; A6-K10 WeakPolarHBondContact O-CB 3.47Å; A6-K10 PolarHBondContact O-N 2.91Å
7V77.6Confident77.8Confident63 Ų6387.5 Ų87.538%0.38252%0.519SS..Hα-helixtrans-62.7-47.1176.11700000111.7A3 R4 K10 Q11A3-V7 WeakPolarHBondContact O-CG2 3.12Å; A3-V7 PolarHBondContact O-N 2.78Å; A3-V7 VanDerWaalsContact O-N 3.15Å; R4-V7 PolarHBondContact O-N 3.41Å; R4-V7 VanDerWaalsContact O-N 3.13Å; V7-K10 PolarHBondContact O-N 3.24Å; V7-Q11 WeakPolarHBondContact O-CG 3.37Å; V7-Q11 PolarHBondContact O-N 2.72Å
8V79.9Confident78.4Confident65 Ų6585.4 Ų85.439%0.39451%0.505SS..Hα-helixtrans-63.9-42.8178.7174.20000110.9R4 A5 K10 Q11 R12R4-V8 WeakPolarHBondContact O-CG2 3.34Å; R4-V8 PolarHBondContact O-N 2.97Å; A5-V8 PolarHBondContact O-N 3.32Å; V8-K10 VanDerWaalsContact C-N 3.32Å; V8-K10 PolarHBondContact O-N 3.15Å; V8-Q11 PolarHBondContact O-N 2.73Å; V8-R12 WeakPolarHBondContact O-CG 3.27Å; V8-R12 PolarHBondContact O-N 3.39Å
9S82.1Confident78.8Confident77 Ų7781.3 Ų81.354%0.53848%0.481SS..Hα-helixtrans-59.6-43.2174.6175.50000111.6A5 A6 R12 A13A5-S9 VanDerWaalsContact O-CB 3.3Å; A5-S9 WeakPolarHBondContact O-CB 3.14Å; A5-S9 PolarHBondContact O-N 3.23Å; A6-S9 PolarHBondContact O-N 2.69Å; S9-R12 PolarHBondContact O-N 3Å; S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.31Å
10K81.3Confident79.2Confident95 Ų9579.6 Ų79.641%0.41347%0.474SS..Hα-helixtrans-62.7-44.8176.1-171.3-175.9177-169.50112A6 V7 V8 R12 A13 A14 E148A6-K10 WeakPolarHBondContact O-CB 3.47Å; A6-K10 PolarHBondContact O-N 2.91Å; V7-K10 PolarHBondContact O-N 3.24Å; V8-K10 VanDerWaalsContact C-N 3.32Å; V8-K10 PolarHBondContact O-N 3.15Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 3.39Å; K10-A13 PolarHBondContact O-N 2.77Å; K10-A14 WeakPolarHBondContact O-CB 3.29Å; K10-A14 PolarHBondContact O-N 3.04Å; K10-E148 WeakPolarHBondContact CE-OE1 3.21Å; K10-E148 WeakPolarHBondContact CE-OE2 3.41Å; K10-E148 IonicContact NZ-OE1 2.67Å; K10-E148 IonicContact NZ-OE2 3.49Å; K10-E148 PolarHBondContact NZ-OE2 2.88Å
11Q80.1Confident79.2Confident93 Ų9378.6 Ų78.644%0.43547%0.466SS..Hα-helixtrans-61.9-40.4178.2-74.8172.3-20.100112.3V7 V8 A14 A15V7-Q11 WeakPolarHBondContact O-CG 3.37Å; V7-Q11 PolarHBondContact O-N 2.72Å; V8-Q11 PolarHBondContact O-N 2.73Å; Q11-A14 PolarHBondContact O-N 2.81Å; Q11-A15 PolarHBondContact O-N 3.03Å
12R84.1Confident80.5Confident176 Ų17679 Ų7966%0.66447%0.466SS*.Hα-helixtrans-64.5-46.9174.6-71.4179.7-178.6-178.4-0.2111.7V8 S9 K10 A14 A15 E16V8-R12 WeakPolarHBondContact O-CG 3.27Å; V8-R12 PolarHBondContact O-N 3.39Å; S9-R12 PolarHBondContact O-N 3Å; K10-R12 VanDerWaalsContact C-N 3.34Å; K10-R12 PolarHBondContact O-N 3.39Å; R12-A14 PolarHBondContact O-N 2.64Å; R12-A15 WeakPolarHBondContact O-CB 3.36Å; R12-A15 PolarHBondContact O-N 3.35Å; R12-A15 VanDerWaalsContact O-N 3.1Å; R12-E16 PolarHBondContact O-N 3.08Å
13A84.4Confident81.8Confident27 Ų2778.6 Ų78.622%0.22345%0.452CS..Hα-helixtrans-60.3-37.8176.200000111.7S9 K10 E16 G17 L18S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.31Å; K10-A13 PolarHBondContact O-N 2.77Å; A13-E16 CarbonylContact O-C 3.54Å; A13-E16 PolarHBondContact O-N 2.94Å; A13-G17 PolarHBondContact O-N 3.11Å; A13-L18 HydrophobicContact CB-CB 3.98Å; A13-L18 HydrophobicContact CB-CD2 3.63Å; A13-L18 HydrophobicContact CB-CG 4.45Å; A13-L18 WeakPolarHBondContact O-CB 3.43Å; A13-L18 PolarHBondContact O-N 2.81Å
14A83.3Confident83Confident37 Ų3775.6 Ų75.631%0.30643%0.427SS..Hα-helixtrans-64.5-40.3174.700000112.4K10 Q11 R12 E16 G17 L18K10-A14 WeakPolarHBondContact O-CB 3.29Å; K10-A14 PolarHBondContact O-N 3.04Å; Q11-A14 PolarHBondContact O-N 2.81Å; R12-A14 PolarHBondContact O-N 2.64Å; A14-E16 PolarHBondContact O-N 3.41Å; A14-G17 WeakPolarHBondContact O-CA 3.41Å; A14-G17 PolarHBondContact O-N 3.04Å; A14-L18 WeakPolarHBondContact CA-O 3.37Å
15A82.4Confident84Confident94 Ų9472.1 Ų72.178%0.77742%0.417SS*.Hα-helixtrans-64.4-28173.200000112.8Q11 R12 G17Q11-A15 PolarHBondContact O-N 3.03Å; R12-A15 WeakPolarHBondContact O-CB 3.36Å; R12-A15 PolarHBondContact O-N 3.35Å; R12-A15 VanDerWaalsContact O-N 3.1Å; A15-G17 VanDerWaalsContact C-N 3.25Å
16E86.3Confident84.9Confident166 Ų16673.9 Ų73.978%0.77641%0.412SS*.THydrogen-bonded Turntrans-82.52171.8-67172.2-172.700113.2R12 A13 A14R12-E16 PolarHBondContact O-N 3.08Å; A13-E16 CarbonylContact O-C 3.54Å; A13-E16 PolarHBondContact O-N 2.94Å; A14-E16 PolarHBondContact O-N 3.41Å
17G85.3Confident85.8Confident25 Ų2572.2 Ų72.226%0.25839%0.393SS..THydrogen-bonded Turntrans102.94.8173.800000115.7A13 A14 A15 S20A13-G17 PolarHBondContact O-N 3.11Å; A14-G17 WeakPolarHBondContact O-CA 3.41Å; A14-G17 PolarHBondContact O-N 3.04Å; A15-G17 VanDerWaalsContact C-N 3.25Å; G17-S20 WeakPolarHBondContact O-CB 3.25Å; G17-S20 PolarHBondContact O-N 2.9Å; G17-S20 PolarHBondContact O-OG 3.01Å
18L89.1Confident86.6Confident50 Ų5073 Ų7326%0.26240%0.395SS..THydrogen-bonded Turntrans-64.8135171.1-173.870.3000110.7A13 A14 S20 N23 V25A13-L18 HydrophobicContact CB-CB 3.98Å; A13-L18 HydrophobicContact CB-CD2 3.63Å; A13-L18 HydrophobicContact CB-CG 4.45Å; A13-L18 WeakPolarHBondContact O-CB 3.43Å; A13-L18 PolarHBondContact O-N 2.81Å; A14-L18 WeakPolarHBondContact CA-O 3.37Å; L18-S20 VanDerWaalsContact C-N 3.29Å; L18-N23 CarbonylContact C-O 3.48Å; L18-V25 HydrophobicContact CD1-CG2 4.41Å; L18-V25 HydrophobicContact CD2-CG2 4.32Å; L18-V25 HydrophobicContact CG-CG2 3.92Å
19G85.5Confident87.3Confident6 Ų673.1 Ų73.16%0.06241%0.409CS..THydrogen-bonded Turntrans84.50.2-172.300000113.9N23 E148 W149G19-N23 PolarHBondContact N-O 2.95Å; G19-E148 CarbonylContact O-C 3.58Å; G19-E148 WeakPolarHBondContact O-CA 3.45Å; G19-W149 PolarHBondContact O-N 3.05Å
20S86.4Confident88Confident47 Ų4770.2 Ų70.233%0.32939%0.387SS..SBendtrans-73.3173169.4700000111.9G17 L18 Q22 N23G17-S20 WeakPolarHBondContact O-CB 3.25Å; G17-S20 PolarHBondContact O-N 2.9Å; G17-S20 PolarHBondContact O-OG 3.01Å; L18-S20 VanDerWaalsContact C-N 3.29Å; S20-Q22 VanDerWaalsContact C-N 3.28Å; S20-Q22 PolarHBondContact O-N 3.29Å; S20-N23 CarbonylContact O-C 3.51Å; S20-N23 PolarHBondContact O-N 3.44Å; S20-N23 PolarHBondContact OG-N 3.3Å
21N78.7Confident88.8Confident59 Ų5967.5 Ų67.532%0.31638%0.377SS..SBendtrans-54.4-46.5174.2-172-41.2000110.9N23 R123 D346N21-N23 PolarHBondContact O-N 3.5Å; N21-R123 VanDerWaalsContact CG-CZ 3.47Å; N21-R123 PolarHBondContact O-NH1 3.18Å; N21-R123 PolarHBondContact O-NH2 3.43Å; N21-R123 PolarHBondContact OD1-NE 3.4Å; N21-R123 PolarHBondContact OD1-NH1 2.87Å; N21-D346 PolarHBondContact ND2-O 3.4Å
22Q83.9Confident89.6Confident192 Ų19263.5 Ų63.590%0.89736%0.359SS*.SBendtrans-79.3-19.2-174.7-62.5176.49.100114.2S20S20-Q22 VanDerWaalsContact C-N 3.28Å; S20-Q22 PolarHBondContact O-N 3.29Å
23N90.3Very high90.2Very high77 Ų7758.2 Ų58.241%0.41234%0.341SS..SBendtrans-137.772.1-174.4-174.721.1000110.5L18 G19 S20 N21L18-N23 CarbonylContact C-O 3.48Å; G19-N23 PolarHBondContact N-O 2.95Å; S20-N23 CarbonylContact O-C 3.51Å; S20-N23 PolarHBondContact O-N 3.44Å; S20-N23 PolarHBondContact OG-N 3.3Å; N21-N23 PolarHBondContact O-N 3.5Å
24A93.4Very high90.8Very high13 Ų1360.3 Ų60.311%0.10735%0.351CS..  trans-64.7145.2-179.500000112.2K26 W149 D151A24-K26 PolarHBondContact O-N 3.37Å; A24-W149 CarbonylContact C-O 3.52Å; A24-W149 WeakPolarHBondContact CA-O 3.3Å; A24-W149 HydrophobicContact CB-CB 4.06Å; A24-D151 HydrophobicContact CB-CB 4.07Å
25V95.1Very high91.5Very high27 Ų2760.1 Ų60.116%0.16435%0.345CS..EExtended strand (participates in β ladder)trans-66.3126.8174.6176.90000109.3L18 Y27 W149 V150 D151L18-V25 HydrophobicContact CD1-CG2 4.41Å; L18-V25 HydrophobicContact CD2-CG2 4.32Å; L18-V25 HydrophobicContact CG-CG2 3.92Å; V25-Y27 PolarHBondContact O-N 3.43Å; V25-W149 PolarHBondContact N-O 3.2Å; V25-V150 HydrophobicContact CB-CG2 4.31Å; V25-V150 CarbonylContact O-C 3.59Å; V25-V150 VanDerWaalsContact O-CA 3.32Å; V25-V150 WeakPolarHBondContact O-CA 3.42Å; V25-D151 PolarHBondContact O-N 3Å
26K95.9Very high92.3Very high102 Ų10257.1 Ų57.144%0.44331%0.313SS..EExtended strand (participates in β ladder)trans-71109.7174.4-64.9176.9-170.9-173.50110.4A24 L28 G29 Q30 D31A24-K26 PolarHBondContact O-N 3.37Å; K26-L28 PolarHBondContact O-N 3.37Å; K26-G29 PolarHBondContact O-N 3.1Å; K26-G29 VanDerWaalsContact O-N 3.16Å; K26-Q30 WeakPolarHBondContact CB-O 3.48Å; K26-D31 HydrophobicContact CD-CB 4.04Å; K26-D31 WeakPolarHBondContact CE-OD1 3.41Å; K26-D31 IonicContact NZ-OD1 3.08Å; K26-D31 PolarHBondContact NZ-OD1 2.96Å
27Y96.4Very high92.8Very high26 Ų2655.6 Ų55.610%0.10230%0.304CS..G310 helixtrans-62.3129.2-179.1-169.5-116.8000110.6V25 G29 Q30 V150 D151 V152 K187 L188V25-Y27 PolarHBondContact O-N 3.43Å; Y27-G29 PolarHBondContact O-N 3.36Å; Y27-Q30 PolarHBondContact O-N 3.15Å; Y27-V150 HydrophobicContact CD2-CG1 3.9Å; Y27-V150 HydrophobicContact CG-CG1 4.19Å; Y27-D151 WeakPolarHBondContact CB-O 3Å; Y27-D151 PolarHBondContact N-O 3.02Å; Y27-V152 HydrophobicContact CD1-CG1 4.24Å; Y27-V152 HydrophobicContact CD1-CG2 4.34Å; Y27-V152 HydrophobicContact CG-CG2 4.15Å; Y27-K187 HydrophobicContact CE1-CG 4.13Å; Y27-L188 HydrophobicContact CD2-CD1 3.93Å; Y27-L188 HydrophobicContact CE2-CD1 3.64Å; Y27-L188 PolarHBondContact OH-O 2.87Å
28L94.4Very high93.4Very high79 Ų7959.5 Ų59.541%0.41432%0.316SS..G310 helixtrans54.124-178-55.3172.9000113.8K26 Q30 E50K26-L28 PolarHBondContact O-N 3.37Å; L28-Q30 PolarHBondContact O-N 2.86Å; L28-E50 HydrophobicContact CB-CG 4.09Å; L28-E50 HydrophobicContact CD1-CB 3.55Å; L28-E50 HydrophobicContact CD1-CG 3.78Å
29G94.3Very high93.8Very high68 Ų6857.7 Ų57.770%0.70131%0.307SS*.G310 helixtrans71.110.2-179.100000114.8K26 Y27K26-G29 PolarHBondContact O-N 3.1Å; K26-G29 VanDerWaalsContact O-N 3.16Å; Y27-G29 PolarHBondContact O-N 3.36Å
30Q97.4Very high94.4Very high16 Ų1661 Ų618%0.07532%0.323CS..  trans-80.5127.2178.9-67.7178.6-53.300110.9K26 Y27 L28 L35 D48 E50 V153K26-Q30 WeakPolarHBondContact CB-O 3.48Å; Y27-Q30 PolarHBondContact O-N 3.15Å; L28-Q30 PolarHBondContact O-N 2.86Å; Q30-L35 HydrophobicContact CB-CD1 3.82Å; Q30-L35 HydrophobicContact CG-CD1 4.17Å; Q30-D48 PolarHBondContact NE2-OD1 3.12Å; Q30-E50 HydrophobicContact CG-CG 4.43Å; Q30-V153 HydrophobicContact CB-CB 4.22Å; Q30-V153 HydrophobicContact CB-CG2 4.17Å
31D97.4Very high94.9Very high38 Ų3863.8 Ų63.820%0.20334%0.343CS..  trans-108.4115.9177-178.877.8000110.4K26 E33 T34 L35K26-D31 HydrophobicContact CD-CB 4.04Å; K26-D31 WeakPolarHBondContact CE-OD1 3.41Å; K26-D31 IonicContact NZ-OD1 3.08Å; K26-D31 PolarHBondContact NZ-OD1 2.96Å; D31-E33 PolarHBondContact O-N 2.78Å; D31-T34 PolarHBondContact O-N 3.37Å; D31-T34 WeakPolarHBondContact OD2-CB 3.23Å; D31-T34 PolarHBondContact OD2-N 2.92Å; D31-T34 PolarHBondContact OD2-OG1 3.39Å; D31-L35 WeakPolarHBondContact O-CB 3.31Å; D31-L35 VanDerWaalsContact O-CG 3.27Å; D31-L35 WeakPolarHBondContact O-CG 3.37Å; D31-L35 PolarHBondContact O-N 3.23Å
32F97.5Very high95.8Very high9 Ų964.3 Ų64.34%0.03935%0.351CS..Hα-helixtrans-53.7-52-176.3172.7-113.3000112.6T34 L35 R36 I138 H140 V153F32-T34 PolarHBondContact O-N 2.98Å; F32-L35 PolarHBondContact O-N 2.96Å; F32-R36 WeakPolarHBondContact O-CB 3.4Å; F32-R36 PolarHBondContact O-N 3.4Å; F32-I138 HydrophobicContact CD2-CD1 4.22Å; F32-I138 HydrophobicContact CD2-CG1 4.04Å; F32-I138 HydrophobicContact CE2-CG1 4.17Å; F32-I138 HydrophobicContact CE2-CG2 4.1Å; F32-H140 HydrophobicContact CB-CB 4.06Å; F32-H140 AromaticContact CD1-CD2 3.63Å; F32-H140 AromaticContact CD1-CG 3.99Å; F32-H140 AromaticContact CD1-NE2 3.74Å; F32-H140 HydrophobicContact CD2-CB 3.86Å; F32-H140 AromaticContact CD2-CD2 3.93Å; F32-H140 AromaticContact CD2-CG 3.97Å; F32-H140 AromaticContact CE1-CD2 3.68Å; F32-H140 AromaticContact CE1-NE2 3.81Å; F32-H140 HydrophobicContact CE2-CB 4.49Å; F32-H140 AromaticContact CE2-CD2 3.99Å; F32-H140 HydrophobicContact CG-CB 3.97Å; F32-H140 AromaticContact CG-CD2 3.74Å; F32-H140 AromaticContact CG-CG 3.71Å; F32-H140 AromaticContact CZ-CD2 3.86Å; F32-V153 HydrophobicContact CB-CG2 3.93Å
33E96.6Very high96.4Very high65 Ų6558.6 Ų58.630%0.30434%0.343SS..Hα-helixtrans-65.3-42.3-175.8-74.1-63.1166.300112.8D31 R36 K37D31-E33 PolarHBondContact O-N 2.78Å; E33-R36 IonicContact OE1-CZ 2.61Å; E33-R36 IonicContact OE1-NH2 3.07Å; E33-R36 PolarHBondContact OE1-NH2 3.08Å; E33-R36 IonicContact OE2-CZ 3.69Å; E33-R36 IonicContact OE2-NE 3.29Å; E33-R36 IonicContact OE2-NH2 3.02Å; E33-R36 PolarHBondContact OE2-NH2 3.44Å; E33-K37 WeakPolarHBondContact O-CB 3.21Å; E33-K37 VanDerWaalsContact O-CG 3.23Å; E33-K37 WeakPolarHBondContact O-CG 3.5Å; E33-K37 PolarHBondContact O-N 3.04Å
34T97.7Very high96.7Very high70 Ų7058.8 Ų58.843%0.42935%0.347SS..Hα-helixtrans-64.7-48.5177.6-60.40000110.9D31 F32 K37 Q38D31-T34 PolarHBondContact O-N 3.37Å; D31-T34 WeakPolarHBondContact OD2-CB 3.23Å; D31-T34 PolarHBondContact OD2-N 2.92Å; D31-T34 PolarHBondContact OD2-OG1 3.39Å; F32-T34 PolarHBondContact O-N 2.98Å; T34-K37 PolarHBondContact O-N 2.99Å; T34-Q38 VanDerWaalsContact O-CG 3.28Å; T34-Q38 WeakPolarHBondContact O-CG 3.06Å; T34-Q38 PolarHBondContact O-N 3.29Å
35L98.1Very high97Very high34 Ų3461.5 Ų61.518%0.17836%0.36CS..Hα-helixtrans-65.6-41-179.7-68.7171.6000111.6Q30 D31 F32 Q38 C39 F46 I138 V153Q30-L35 HydrophobicContact CB-CD1 3.82Å; Q30-L35 HydrophobicContact CG-CD1 4.17Å; D31-L35 WeakPolarHBondContact O-CB 3.31Å; D31-L35 VanDerWaalsContact O-CG 3.27Å; D31-L35 WeakPolarHBondContact O-CG 3.37Å; D31-L35 PolarHBondContact O-N 3.23Å; F32-L35 PolarHBondContact O-N 2.96Å; L35-Q38 PolarHBondContact O-N 3.47Å; L35-C39 WeakPolarHBondContact O-CB 3.44Å; L35-C39 PolarHBondContact O-N 3.17Å; L35-C39 PolarHBondContact O-SG 3.39Å; L35-F46 HydrophobicContact CB-CE2 4.46Å; L35-F46 HydrophobicContact CD1-CE2 4.1Å; L35-F46 HydrophobicContact CD1-CZ 4.09Å; L35-F46 HydrophobicContact CD2-CE2 4.27Å; L35-I138 HydrophobicContact CB-CD1 3.57Å; L35-V153 HydrophobicContact CD1-CG1 4.28Å
36R97.9Very high97.1Very high30 Ų3060.9 Ų60.911%0.11336%0.355CS..Hα-helixtrans-60.8-48174.9-17517369.5176.2-2.4111.1F32 E33 Q38 C39 L40 D128 A136 I138F32-R36 WeakPolarHBondContact O-CB 3.4Å; F32-R36 PolarHBondContact O-N 3.4Å; E33-R36 IonicContact OE1-CZ 2.61Å; E33-R36 IonicContact OE1-NH2 3.07Å; E33-R36 PolarHBondContact OE1-NH2 3.08Å; E33-R36 IonicContact OE2-CZ 3.69Å; E33-R36 IonicContact OE2-NE 3.29Å; E33-R36 IonicContact OE2-NH2 3.02Å; E33-R36 PolarHBondContact OE2-NH2 3.44Å; R36-Q38 VanDerWaalsContact C-N 3.35Å; R36-Q38 PolarHBondContact O-N 3.29Å; R36-C39 PolarHBondContact O-N 3.2Å; R36-L40 HydrophobicContact CG-CD1 3.99Å; R36-L40 HydrophobicContact CG-CG 4.41Å; R36-L40 WeakPolarHBondContact O-CB 3.46Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.28Å; R36-L40 PolarHBondContact O-N 2.78Å; R36-D128 PolarHBondContact NH1-O 3.16Å; R36-A136 HydrophobicContact CG-CB 4.35Å; R36-I138 HydrophobicContact CB-CG2 3.84Å; R36-I138 HydrophobicContact CG-CG2 3.89Å
37K97.7Very high97.2Very high134 Ų13463.1 Ų63.158%0.58337%0.365SS*.Hα-helixtrans-60.9-41.2177.3-75.7171.8-174.6172.60112.5E33 T34 L40 S41E33-K37 WeakPolarHBondContact O-CB 3.21Å; E33-K37 VanDerWaalsContact O-CG 3.23Å; E33-K37 WeakPolarHBondContact O-CG 3.5Å; E33-K37 PolarHBondContact O-N 3.04Å; T34-K37 PolarHBondContact O-N 2.99Å; K37-L40 PolarHBondContact O-N 2.94Å; K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.47Å; K37-S41 PolarHBondContact O-OG 3.22Å
38Q97.8Very high97.3Very high108 Ų10862 Ų6251%0.50536%0.36SS..Hα-helixtrans-63.5-42.3176.2-73.7173.2-3.700112.2T34 L35 R36 S41 S42T34-Q38 VanDerWaalsContact O-CG 3.28Å; T34-Q38 WeakPolarHBondContact O-CG 3.06Å; T34-Q38 PolarHBondContact O-N 3.29Å; L35-Q38 PolarHBondContact O-N 3.47Å; R36-Q38 VanDerWaalsContact C-N 3.35Å; R36-Q38 PolarHBondContact O-N 3.29Å; Q38-S41 PolarHBondContact O-OG 3.29Å; Q38-S42 WeakPolarHBondContact O-CB 3.34Å; Q38-S42 PolarHBondContact O-N 2.89Å; Q38-S42 VanDerWaalsContact O-N 3.13Å; Q38-S42 PolarHBondContact O-OG 3.07Å
39C97.9Very high97.4Very high12 Ų1262.5 Ų62.58%0.08137%0.368CS..Hα-helixtrans-67.2-42.9177.4-67.70000111.5L35 R36 S41 S42 G43 V44 A136L35-C39 WeakPolarHBondContact O-CB 3.44Å; L35-C39 PolarHBondContact O-N 3.17Å; L35-C39 PolarHBondContact O-SG 3.39Å; R36-C39 PolarHBondContact O-N 3.2Å; C39-S41 PolarHBondContact O-N 3.48Å; C39-S42 PolarHBondContact O-N 3.33Å; C39-S42 PolarHBondContact O-OG 3.01Å; C39-G43 PolarHBondContact O-N 3.47Å; C39-V44 VanDerWaalsContact CB-O 3.27Å; C39-V44 WeakPolarHBondContact CB-O 3.32Å; C39-V44 PolarHBondContact O-N 3.07Å; C39-A136 HydrophobicContact CB-CB 3.7Å
40L97.4Very high97.6Very high75 Ų7564 Ų6439%0.39336%0.357SS..Hα-helixtrans-62.1-42.5175.5-71.2172.1000112.4R36 K37 S42 G43 N134 A136R36-L40 HydrophobicContact CG-CD1 3.99Å; R36-L40 HydrophobicContact CG-CG 4.41Å; R36-L40 WeakPolarHBondContact O-CB 3.46Å; R36-L40 VanDerWaalsContact O-CG 3.27Å; R36-L40 WeakPolarHBondContact O-CG 3.28Å; R36-L40 PolarHBondContact O-N 2.78Å; K37-L40 PolarHBondContact O-N 2.94Å; L40-S42 VanDerWaalsContact C-N 3.35Å; L40-G43 PolarHBondContact O-N 3.29Å; L40-N134 HydrophobicContact CD1-CB 4.16Å; L40-A136 HydrophobicContact CD2-CB 4.02Å; L40-A136 HydrophobicContact CG-CB 4.06Å
41S97.4Very high97.6Very high106 Ų10663.5 Ų63.574%0.74136%0.355SS*.Hα-helixtrans-70.8-30.7-179.367.50000113.2K37 Q38 C39K37-S41 WeakPolarHBondContact O-CB 3.42Å; K37-S41 PolarHBondContact O-N 3.47Å; K37-S41 PolarHBondContact O-OG 3.22Å; Q38-S41 PolarHBondContact O-OG 3.29Å; C39-S41 PolarHBondContact O-N 3.48Å
42S97Very high97.6Very high70 Ų7064.4 Ų64.449%0.4936%0.362SS..Hα-helixtrans-90.5-9.7178.155.20000113.9Q38 C39 L40 V44Q38-S42 WeakPolarHBondContact O-CB 3.34Å; Q38-S42 PolarHBondContact O-N 2.89Å; Q38-S42 VanDerWaalsContact O-N 3.13Å; Q38-S42 PolarHBondContact O-OG 3.07Å; C39-S42 PolarHBondContact O-N 3.33Å; C39-S42 PolarHBondContact O-OG 3.01Å; L40-S42 VanDerWaalsContact C-N 3.35Å; S42-V44 VanDerWaalsContact C-N 3.25Å; S42-V44 PolarHBondContact O-N 3.31Å; S42-V44 VanDerWaalsContact OG-CG2 3.32Å; S42-V44 WeakPolarHBondContact OG-CG2 3.27Å
43G96.6Very high97.5Very high71 Ų7165.4 Ų65.473%0.73237%0.372SS*.THydrogen-bonded Turntrans6822.6-178.400000113.8C39 L40C39-G43 PolarHBondContact O-N 3.47Å; L40-G43 PolarHBondContact O-N 3.29Å
44V97.3Very high97.4Very high82 Ų8264 Ų6450%0.49737%0.369SS..  trans-111.6145.9179.4-52.70000110.8C39 S42C39-V44 VanDerWaalsContact CB-O 3.27Å; C39-V44 WeakPolarHBondContact CB-O 3.32Å; C39-V44 PolarHBondContact O-N 3.07Å; S42-V44 VanDerWaalsContact C-N 3.25Å; S42-V44 PolarHBondContact O-N 3.31Å; S42-V44 VanDerWaalsContact OG-CG2 3.32Å; S42-V44 WeakPolarHBondContact OG-CG2 3.27Å
45L98.3Very high97.2Very high70 Ų7064 Ų6437%0.36637%0.371SS..  trans-79.2137.9172.6-60179.4000110.4K47 Y135 A136L45-K47 PolarHBondContact O-N 3.41Å; L45-Y135 HydrophobicContact CD1-CE1 4.41Å; L45-Y135 HydrophobicContact CD2-CD1 4.12Å; L45-Y135 HydrophobicContact CD2-CE1 3.58Å; L45-A136 WeakPolarHBondContact CA-O 3.45Å
46F98.5Very high96.9Very high13 Ų1366 Ų666%0.05739%0.387CS..  trans-57.8134.9179.8-176.3-119.6000111L35 D48 R77 A136 I138 V153 D155L35-F46 HydrophobicContact CB-CE2 4.46Å; L35-F46 HydrophobicContact CD1-CE2 4.1Å; L35-F46 HydrophobicContact CD1-CZ 4.09Å; L35-F46 HydrophobicContact CD2-CE2 4.27Å; F46-D48 HydrophobicContact CE1-CB 3.76Å; F46-D48 HydrophobicContact CZ-CB 4.17Å; F46-R77 PolarHBondContact O-NH1 3.39Å; F46-R77 PolarHBondContact O-NH2 3.09Å; F46-A136 PolarHBondContact N-O 3.28Å; F46-I138 HydrophobicContact CB-CB 3.75Å; F46-I138 HydrophobicContact CB-CD1 4.37Å; F46-I138 HydrophobicContact CB-CG1 4.31Å; F46-I138 HydrophobicContact CD1-CB 3.89Å; F46-I138 HydrophobicContact CD1-CD1 3.82Å; F46-I138 HydrophobicContact CD1-CG1 3.6Å; F46-I138 HydrophobicContact CD2-CD1 4.21Å; F46-I138 HydrophobicContact CE1-CD1 4.12Å; F46-I138 HydrophobicContact CE1-CG1 4.1Å; F46-I138 HydrophobicContact CE2-CD1 4.48Å; F46-I138 HydrophobicContact CG-CB 4.02Å; F46-I138 HydrophobicContact CG-CD1 3.88Å; F46-I138 HydrophobicContact CG-CG1 4.01Å; F46-I138 HydrophobicContact CZ-CD1 4.44Å; F46-V153 HydrophobicContact CE1-CG1 4.03Å; F46-V153 HydrophobicContact CZ-CG1 4.39Å; F46-D155 HydrophobicContact CD1-CB 3.74Å; F46-D155 HydrophobicContact CE1-CB 4.41Å; F46-D155 WeakPolarHBondContact O-CB 3.29Å
47K98.3Very high96.8Very high150 Ų15064.8 Ų64.865%0.65238%0.383SS*.  trans-123.3111.4171-64.5179.9-175176.50105.9L45 P49L45-K47 PolarHBondContact O-N 3.41Å; K47-P49 VanDerWaalsContact O-CD 3.22Å; K47-P49 WeakPolarHBondContact O-CD 3.39Å
48D98.1Very high96.7Very high2 Ų258.5 Ų58.51%0.01136%0.357CS..  trans-66.7115.4-175.6-168.1-5.1000110.5Q30 F46 E50 D155 K187Q30-D48 PolarHBondContact NE2-OD1 3.12Å; F46-D48 HydrophobicContact CE1-CB 3.76Å; F46-D48 HydrophobicContact CZ-CB 4.17Å; D48-E50 VanDerWaalsContact C-N 3.29Å; D48-E50 PolarHBondContact OD1-N 3.24Å; D48-D155 HydrophobicContact CB-CB 4.42Å; D48-D155 VanDerWaalsContact CB-OD2 3.24Å; D48-D155 WeakPolarHBondContact CB-OD2 3.5Å; D48-D155 PolarHBondContact N-OD2 3.47Å; D48-K187 VanDerWaalsContact CG-NZ 3.32Å; D48-K187 IonicContact OD1-NZ 3.49Å; D48-K187 PolarHBondContact OD1-NZ 3.41Å; D48-K187 WeakPolarHBondContact OD2-CE 3.39Å; D48-K187 IonicContact OD2-NZ 2.61Å; D48-K187 PolarHBondContact OD2-NZ 2.95Å
49P97Very high96.4Very high89 Ų8953.4 Ų53.458%0.57833%0.333SS*.SBendtrans-73.4-25.4177.430-33.8000112K47K47-P49 VanDerWaalsContact O-CD 3.22Å; K47-P49 WeakPolarHBondContact O-CD 3.39Å
50E97.3Very high96Very high99 Ų9956.4 Ų56.446%0.46334%0.343SS..SBendtrans-88-17.8-174.9-63.4-56.5143.100112.9L28 Q30 D48L28-E50 HydrophobicContact CB-CG 4.09Å; L28-E50 HydrophobicContact CD1-CB 3.55Å; L28-E50 HydrophobicContact CD1-CG 3.78Å; Q30-E50 HydrophobicContact CG-CG 4.43Å; D48-E50 VanDerWaalsContact C-N 3.29Å; D48-E50 PolarHBondContact OD1-N 3.24Å
51F97.7Very high95.6Very high7 Ų760.8 Ų60.83%0.03135%0.354CS..SBendtrans-139.670.2174.6-160.3-110.8000110.7A57 W75 K183 A186 K187 Y192F51-A57 HydrophobicContact CD1-CB 4.3Å; F51-A57 HydrophobicContact CD2-CB 4.27Å; F51-A57 HydrophobicContact CE1-CB 3.89Å; F51-A57 HydrophobicContact CE2-CB 3.85Å; F51-A57 HydrophobicContact CG-CB 4.49Å; F51-A57 HydrophobicContact CZ-CB 3.66Å; F51-A57 WeakPolarHBondContact CZ-O 3.09Å; F51-W75 HydrophobicContact CE1-CH2 4.4Å; F51-K183 HydrophobicContact CD1-CG 4.45Å; F51-K183 HydrophobicContact CE1-CG 4.14Å; F51-A186 HydrophobicContact CZ-CB 4.23Å; F51-K187 HydrophobicContact CB-CB 4.16Å; F51-K187 HydrophobicContact CB-CD 3.61Å; F51-K187 HydrophobicContact CB-CG 3.75Å; F51-K187 HydrophobicContact CD1-CB 4.02Å; F51-K187 HydrophobicContact CD2-CB 3.77Å; F51-K187 HydrophobicContact CD2-CG 3.9Å; F51-K187 HydrophobicContact CE1-CB 4.31Å; F51-K187 HydrophobicContact CE2-CB 4.09Å; F51-K187 HydrophobicContact CG-CB 3.72Å; F51-K187 HydrophobicContact CG-CD 4.14Å; F51-K187 HydrophobicContact CG-CG 3.84Å; F51-K187 HydrophobicContact CZ-CB 4.34Å; F51-Y192 HydrophobicContact CE1-CE2 4.25Å; F51-Y192 HydrophobicContact CZ-CD2 4.42Å; F51-Y192 HydrophobicContact CZ-CE2 4.48Å
52P96.8Very high95.2Very high57 Ų5759.5 Ų59.537%0.3734%0.339SS..  trans-67.3143.1-17325.5-32.7000111.7C54 A57P52-C54 PolarHBondContact O-N 2.93Å; P52-C54 PolarHBondContact O-SG 3.33Å; P52-A57 VanDerWaalsContact O-CB 3.3Å; P52-A57 WeakPolarHBondContact O-CB 3.33Å
53A96.6Very high94.9Very high30 Ų3057 Ų5725%0.24832%0.32CS..SBendtrans-64.877.2173.400000111.9W75 R157A53-W75 HydrophobicContact CB-CB 3.8Å; A53-W75 HydrophobicContact CB-CD2 3.53Å; A53-W75 HydrophobicContact CB-CE3 3.79Å; A53-W75 HydrophobicContact CB-CG 3.55Å; A53-R157 HydrophobicContact CB-CB 4.47Å
54C93.9Very high94.5Very high34 Ų3453.8 Ų53.823%0.2329%0.287CS..SBendtrans-150.4167.9-174.370.50000111.1P52 S56 A57P52-C54 PolarHBondContact O-N 2.93Å; P52-C54 PolarHBondContact O-SG 3.33Å; C54-S56 VanDerWaalsContact C-N 3.27Å; C54-S56 PolarHBondContact O-N 2.95Å; C54-S56 PolarHBondContact SG-OG 2.9Å; C54-A57 WeakPolarHBondContact O-CB 3.14Å; C54-A57 PolarHBondContact O-N 3.03Å; C54-A57 VanDerWaalsContact O-N 3.1Å
55P93.5Very high93.9Very high72 Ų7254.4 Ų54.447%0.46829%0.293SS..Hα-helixtrans-57.4-33-174.9-29.237.5000115.1A57 V58 G59 P65P55-A57 VanDerWaalsContact C-N 3.26Å; P55-A57 PolarHBondContact O-N 3.29Å; P55-V58 WeakPolarHBondContact O-CB 3.4Å; P55-V58 PolarHBondContact O-N 3.04Å; P55-G59 PolarHBondContact O-N 2.99Å; P55-P65 HydrophobicContact CB-CB 4.26Å; P55-P65 HydrophobicContact CB-CG 4.06Å
56S92.4Very high93.1Very high75 Ų7555 Ų5552%0.52432%0.315SS..Hα-helixtrans-68.6-23179.755.70000113.8C54 V58 G59C54-S56 VanDerWaalsContact C-N 3.27Å; C54-S56 PolarHBondContact O-N 2.95Å; C54-S56 PolarHBondContact SG-OG 2.9Å; S56-V58 VanDerWaalsContact C-N 3.32Å; S56-G59 WeakPolarHBondContact CA-O 3.33Å
57A95.3Very high92.7Very high4 Ų455.2 Ų55.23%0.03332%0.318CS..Hα-helixtrans-73.9-26.9171.600000111.7F51 P52 C54 P55 W75 S191 Y192F51-A57 HydrophobicContact CD1-CB 4.3Å; F51-A57 HydrophobicContact CD2-CB 4.27Å; F51-A57 HydrophobicContact CE1-CB 3.89Å; F51-A57 HydrophobicContact CE2-CB 3.85Å; F51-A57 HydrophobicContact CG-CB 4.49Å; F51-A57 HydrophobicContact CZ-CB 3.66Å; F51-A57 WeakPolarHBondContact CZ-O 3.09Å; P52-A57 VanDerWaalsContact O-CB 3.3Å; P52-A57 WeakPolarHBondContact O-CB 3.33Å; C54-A57 WeakPolarHBondContact O-CB 3.14Å; C54-A57 PolarHBondContact O-N 3.03Å; C54-A57 VanDerWaalsContact O-N 3.1Å; P55-A57 VanDerWaalsContact C-N 3.26Å; P55-A57 PolarHBondContact O-N 3.29Å; A57-W75 HydrophobicContact CB-CH2 3.97Å; A57-W75 HydrophobicContact CB-CZ2 3.93Å; A57-S191 CarbonylContact O-C 3.45Å; A57-S191 VanDerWaalsContact O-CA 3.25Å; A57-S191 WeakPolarHBondContact O-CA 3.49Å; A57-S191 WeakPolarHBondContact O-CB 3.42Å; A57-Y192 WeakPolarHBondContact O-CD2 3.27Å; A57-Y192 PolarHBondContact O-N 3.13Å
58V95.1Very high92.2Very high3 Ų352.9 Ų52.92%0.01832%0.319CS..Hα-helixtrans-77-50.2175.1-168.50000109.8P55 S56 L63 T70 I73 W75 F167 Y192 E193P55-V58 WeakPolarHBondContact O-CB 3.4Å; P55-V58 PolarHBondContact O-N 3.04Å; S56-V58 VanDerWaalsContact C-N 3.32Å; V58-L63 HydrophobicContact CG1-CB 4.18Å; V58-T70 HydrophobicContact CG1-CG2 3.81Å; V58-I73 HydrophobicContact CG1-CD1 4.31Å; V58-W75 HydrophobicContact CG2-CZ2 3.8Å; V58-F167 HydrophobicContact CG1-CE2 4.25Å; V58-F167 HydrophobicContact CG1-CZ 3.85Å; V58-Y192 WeakPolarHBondContact O-CB 3.16Å; V58-Y192 PolarHBondContact O-N 2.9Å; V58-E193 PolarHBondContact O-N 3.07Å
59G93Very high91.6Very high1 Ų158.6 Ų58.61%0.0135%0.345CS..  trans-174.1-176.2-178.300000115P55 S56 L63 E193P55-G59 PolarHBondContact O-N 2.99Å; S56-G59 WeakPolarHBondContact CA-O 3.33Å; G59-L63 WeakPolarHBondContact CA-O 3.25Å; G59-L63 PolarHBondContact N-O 2.84Å; G59-E193 WeakPolarHBondContact CA-OE2 3.45Å
60Y89.6Confident91.3Very high75 Ų7555.2 Ų55.229%0.29432%0.323SS..SBendtrans-136-15.9-175.656-98.9000113.7E193 K422 R423Y60-E193 HydrophobicContact CE1-CB 4.32Å; Y60-E193 HydrophobicContact CE1-CG 4.5Å; Y60-E193 PolarHBondContact N-OE2 3.24Å; Y60-K422 WeakPolarHBondContact OH-CB 3.3Å; Y60-R423 HydrophobicContact CD1-CB 3.76Å; Y60-R423 HydrophobicContact CD2-CB 4.02Å; Y60-R423 HydrophobicContact CE1-CB 3.97Å; Y60-R423 HydrophobicContact CE2-CB 4.25Å; Y60-R423 HydrophobicContact CG-CB 3.8Å
61R88.2Confident90.9Very high166 Ų16657.4 Ų57.463%0.62633%0.333SS*.SBendtrans-132.2-82.8178.6-174.5-170.974.1-159.5-2.6111.2L63 G64 E193R61-L63 VanDerWaalsContact C-N 3.33Å; R61-G64 PolarHBondContact O-N 3.18Å; R61-E193 WeakPolarHBondContact CB-OE1 3.31Å; R61-E193 PolarHBondContact N-OE1 2.93Å; R61-E193 PolarHBondContact N-OE2 2.97Å
62D88.1Confident90.5Very high80 Ų8059.5 Ų59.543%0.42836%0.357SS..THydrogen-bonded Turntrans-73.1-33.6-175.6-56.2-24.7000110.2S67 Q69 E193D62-S67 WeakPolarHBondContact O-CB 3.3Å; D62-S67 PolarHBondContact O-OG 2.69Å; D62-Q69 PolarHBondContact O-OE1 2.88Å; D62-E193 PolarHBondContact N-OE1 3.47Å; D62-E193 PolarHBondContact N-OE2 2.63Å
63L90.8Very high90.4Very high18 Ų1858.2 Ų58.29%0.09435%0.347CS..THydrogen-bonded Turntrans-108.121.8172.3-57.8178.4000112V58 G59 R61 Q69 T70 L102 F167 E193V58-L63 HydrophobicContact CG1-CB 4.18Å; G59-L63 WeakPolarHBondContact CA-O 3.25Å; G59-L63 PolarHBondContact N-O 2.84Å; R61-L63 VanDerWaalsContact C-N 3.33Å; L63-Q69 HydrophobicContact CD2-CB 3.93Å; L63-Q69 VanDerWaalsContact CD2-OE1 3.28Å; L63-T70 HydrophobicContact CB-CG2 3.82Å; L63-T70 HydrophobicContact CD2-CG2 3.99Å; L63-T70 VanDerWaalsContact O-CG2 3.29Å; L63-T70 WeakPolarHBondContact O-CG2 3.23Å; L63-L102 HydrophobicContact CD1-CD1 3.75Å; L63-F167 HydrophobicContact CD1-CE1 4.41Å; L63-F167 HydrophobicContact CD1-CZ 4.43Å; L63-E193 HydrophobicContact CB-CB 4.19Å; L63-E193 HydrophobicContact CB-CG 4.28Å; L63-E193 HydrophobicContact CD1-CB 4.24Å; L63-E193 HydrophobicContact CD1-CG 4.44Å; L63-E193 HydrophobicContact CG-CG 4.38Å; L63-E193 PolarHBondContact N-OE2 3.37Å; L63-E193 VanDerWaalsContact N-OE2 3.09Å
64G88.3Confident90.4Very high3 Ų361.8 Ų61.83%0.03136%0.361CS..SBendtrans-73.2176.5-17900000114.5R61 G66 S67 T70R61-G64 PolarHBondContact O-N 3.18Å; G64-G66 PolarHBondContact O-N 3.32Å; G64-S67 WeakPolarHBondContact O-CB 3.49Å; G64-S67 PolarHBondContact O-N 3.28Å; G64-S67 VanDerWaalsContact O-N 3.16Å; G64-T70 PolarHBondContact O-OG1 3.3Å; G64-T70 VanDerWaalsContact O-OG1 3.14Å
65P85.6Confident90.6Very high95 Ų9562 Ų6262%0.61736%0.357SS*.THydrogen-bonded Turntrans-58125.6171.8-18.829.8000111.3P55P55-P65 HydrophobicContact CB-CB 4.26Å; P55-P65 HydrophobicContact CB-CG 4.06Å
66G82.3Confident90.8Very high81 Ų8161.7 Ų61.784%0.83535%0.348SS*.THydrogen-bonded Turntrans89.1-0.9-179.500000114.9G64G64-G66 PolarHBondContact O-N 3.32Å
67S89.3Confident91.1Very high18 Ų1858.9 Ų58.913%0.12633%0.326CS..  trans-66134.4170.41760000110.9D62 G64 Q69 T70 Q71D62-S67 WeakPolarHBondContact O-CB 3.3Å; D62-S67 PolarHBondContact O-OG 2.69Å; G64-S67 WeakPolarHBondContact O-CB 3.49Å; G64-S67 PolarHBondContact O-N 3.28Å; G64-S67 VanDerWaalsContact O-N 3.16Å; S67-Q69 PolarHBondContact O-N 2.75Å; S67-Q69 PolarHBondContact OG-N 2.97Å; S67-T70 PolarHBondContact O-N 3.28Å; S67-T70 VanDerWaalsContact O-N 3.15Å; S67-T70 PolarHBondContact O-OG1 3Å; S67-Q71 PolarHBondContact O-N 3.44Å
68P87.6Confident91.2Very high101 Ų10158.7 Ų58.766%0.65632%0.324SS*.THydrogen-bonded Turntrans-57.2-29172.1-23.833.5000112.9T70 Q71P68-T70 VanDerWaalsContact C-N 3.32Å; P68-T70 PolarHBondContact O-N 3.25Å; P68-Q71 PolarHBondContact O-N 3.47Å
69Q85.4Confident91.3Very high122 Ų12261.6 Ų61.657%0.5734%0.342SS*.THydrogen-bonded Turntrans-67.7-33.7-179.4-63.8177.8-7.400111.7D62 L63 S67D62-Q69 PolarHBondContact O-OE1 2.88Å; L63-Q69 HydrophobicContact CD2-CB 3.93Å; L63-Q69 VanDerWaalsContact CD2-OE1 3.28Å; S67-Q69 PolarHBondContact O-N 2.75Å; S67-Q69 PolarHBondContact OG-N 2.97Å
70T89.9Confident91.5Very high19 Ų1967.1 Ų67.112%0.11737%0.368CS..THydrogen-bonded Turntrans-95.2-2.3-179.3600000114V58 L63 G64 S67 P68 G72 I73V58-T70 HydrophobicContact CG1-CG2 3.81Å; L63-T70 HydrophobicContact CB-CG2 3.82Å; L63-T70 HydrophobicContact CD2-CG2 3.99Å; L63-T70 VanDerWaalsContact O-CG2 3.29Å; L63-T70 WeakPolarHBondContact O-CG2 3.23Å; G64-T70 PolarHBondContact O-OG1 3.3Å; G64-T70 VanDerWaalsContact O-OG1 3.14Å; S67-T70 PolarHBondContact O-N 3.28Å; S67-T70 VanDerWaalsContact O-N 3.15Å; S67-T70 PolarHBondContact O-OG1 3Å; P68-T70 VanDerWaalsContact C-N 3.32Å; P68-T70 PolarHBondContact O-N 3.25Å; T70-G72 PolarHBondContact O-N 2.94Å; T70-I73 HydrophobicContact CG2-CD1 4.04Å; T70-I73 WeakPolarHBondContact O-CB 3.47Å; T70-I73 WeakPolarHBondContact O-CG1 3.49Å; T70-I73 PolarHBondContact O-N 3.04Å
71Q88.8Confident91.7Very high144 Ų14465.9 Ų65.967%0.67337%0.366SS*.THydrogen-bonded Turntrans-64.5130.6176.4-167.6176.71.600111.2S67 P68 I73 K161S67-Q71 PolarHBondContact O-N 3.44Å; P68-Q71 PolarHBondContact O-N 3.47Å; Q71-I73 VanDerWaalsContact C-N 3.34Å; Q71-K161 WeakPolarHBondContact O-CE 3.24Å; Q71-K161 PolarHBondContact O-NZ 3.33Å
72G90.4Very high92Very high51 Ų5158.9 Ų58.953%0.52634%0.342SS..THydrogen-bonded Turntrans82.16.6-179.800000114.8T70 I74T70-G72 PolarHBondContact O-N 2.94Å; G72-I74 PolarHBondContact O-N 3.32Å
73I94.8Very high92.1Very high31 Ų3161.7 Ų61.716%0.15937%0.365CS..  trans-69127.9172.4-67.1-178.8000109.8V58 T70 Q71 P159 T160 V166V58-I73 HydrophobicContact CG1-CD1 4.31Å; T70-I73 HydrophobicContact CG2-CD1 4.04Å; T70-I73 WeakPolarHBondContact O-CB 3.47Å; T70-I73 WeakPolarHBondContact O-CG1 3.49Å; T70-I73 PolarHBondContact O-N 3.04Å; Q71-I73 VanDerWaalsContact C-N 3.34Å; I73-P159 HydrophobicContact CG2-CB 3.87Å; I73-T160 CarbonylContact C-O 3.6Å; I73-T160 VanDerWaalsContact CA-O 3.31Å; I73-T160 WeakPolarHBondContact CA-O 3.36Å; I73-V166 HydrophobicContact CG1-CG2 4.39Å
74I96.3Very high92.3Very high105 Ų10565.4 Ų65.454%0.53839%0.385SS..EExtended strand (participates in β ladder)trans-123.8134174.6-58172.6000107.8G72 K76 T160G72-I74 PolarHBondContact O-N 3.32Å; I74-K76 HydrophobicContact CG2-CG 4.3Å; I74-T160 PolarHBondContact N-O 3.39Å; I74-T160 WeakPolarHBondContact O-CA 3.28Å; I74-T160 WeakPolarHBondContact O-CB 3.09Å; I74-T160 PolarHBondContact O-N 3.48Å; I74-T160 PolarHBondContact O-OG1 3.39Å
75W97.8Very high92.7Very high39 Ų3965.7 Ų65.715%0.14839%0.386CS..EExtended strand (participates in β ladder)trans-85.1120.8177.3-68.975.7000109.9F51 A53 A57 V58 R157 L158 P159 Y192F51-W75 HydrophobicContact CE1-CH2 4.4Å; A53-W75 HydrophobicContact CB-CB 3.8Å; A53-W75 HydrophobicContact CB-CD2 3.53Å; A53-W75 HydrophobicContact CB-CE3 3.79Å; A53-W75 HydrophobicContact CB-CG 3.55Å; A57-W75 HydrophobicContact CB-CH2 3.97Å; A57-W75 HydrophobicContact CB-CZ2 3.93Å; V58-W75 HydrophobicContact CG2-CZ2 3.8Å; W75-R157 HydrophobicContact CB-CB 4.32Å; W75-R157 HydrophobicContact CE3-CB 4.06Å; W75-R157 VanDerWaalsContact CZ3-O 3.31Å; W75-R157 WeakPolarHBondContact CZ3-O 3.41Å; W75-L158 WeakPolarHBondContact CA-O 3.49Å; W75-P159 HydrophobicContact CD2-CG 4.24Å; W75-P159 HydrophobicContact CE3-CG 4.09Å; W75-P159 HydrophobicContact CH2-CG 3.76Å; W75-P159 HydrophobicContact CZ2-CG 3.9Å; W75-P159 HydrophobicContact CZ3-CG 3.84Å; W75-Y192 HydrophobicContact CH2-CE2 4.03Å
76K98Very high93.1Very high65 Ų6563.4 Ų63.428%0.28337%0.367SS..EExtended strand (participates in β ladder)trans-126.4150.4-179.2-72.1-171.6170.3-1700111.4I74 E80 L81 R157 L158 T160I74-K76 HydrophobicContact CG2-CG 4.3Å; K76-E80 WeakPolarHBondContact CA-OE2 3.44Å; K76-E80 HydrophobicContact CB-CB 4.47Å; K76-E80 WeakPolarHBondContact CB-OE2 3.41Å; K76-L81 HydrophobicContact CB-CD2 3.95Å; K76-L81 HydrophobicContact CB-CG 4.18Å; K76-L81 HydrophobicContact CD-CD2 3.59Å; K76-L81 HydrophobicContact CG-CD2 4.44Å; K76-R157 CarbonylContact O-C 3.51Å; K76-R157 WeakPolarHBondContact O-CA 3.25Å; K76-L158 PolarHBondContact N-O 3.49Å; K76-L158 PolarHBondContact O-N 3.28Å; K76-T160 HydrophobicContact CB-CG2 4.06Å
77R98.4Very high93.7Very high15 Ų1560 Ų606%0.05733%0.329CS..  trans-85.5154.1172-60.2-171.8-175.5-100.63.1110.5F46 T79 E80 L81 G137 D156 R157F46-R77 PolarHBondContact O-NH1 3.39Å; F46-R77 PolarHBondContact O-NH2 3.09Å; R77-T79 PolarHBondContact O-N 3.13Å; R77-T79 VanDerWaalsContact O-N 3.14Å; R77-E80 HydrophobicContact CB-CG 4.35Å; R77-E80 PolarHBondContact N-OE2 3.44Å; R77-E80 WeakPolarHBondContact O-CA 3.44Å; R77-E80 WeakPolarHBondContact O-CB 3.01Å; R77-E80 PolarHBondContact O-N 2.93Å; R77-L81 PolarHBondContact O-N 3.35Å; R77-G137 PolarHBondContact NH1-O 3.39Å; R77-D156 WeakPolarHBondContact CD-OD1 3.32Å; R77-D156 WeakPolarHBondContact CG-OD1 2.89Å; R77-D156 IonicContact CZ-OD1 2.74Å; R77-D156 IonicContact NE-OD1 3.13Å; R77-D156 IonicContact NH1-OD1 3.4Å; R77-D156 PolarHBondContact NH1-OD1 3.31Å; R77-R157 HydrophobicContact CG-CG 3.88Å
78P97.8Very high93.9Very high0 Ų061 Ų610%033%0.333CS..Hα-helixtrans-50.1-36.1171.9-34.338.7000114.3E80 L81 C82 P85 F131 D156 L158 F176P78-E80 PolarHBondContact O-N 3.21Å; P78-L81 PolarHBondContact O-N 2.62Å; P78-C82 PolarHBondContact O-N 3.16Å; P78-P85 HydrophobicContact CB-CB 3.65Å; P78-P85 HydrophobicContact CB-CG 4.34Å; P78-F131 HydrophobicContact CB-CD1 4.46Å; P78-F131 HydrophobicContact CB-CE1 3.72Å; P78-F131 HydrophobicContact CB-CZ 3.84Å; P78-F131 HydrophobicContact CG-CE1 3.71Å; P78-F131 HydrophobicContact CG-CZ 3.67Å; P78-D156 WeakPolarHBondContact CD-O 3.31Å; P78-D156 HydrophobicContact CG-CB 4.46Å; P78-L158 HydrophobicContact CG-CD1 4.3Å; P78-F176 HydrophobicContact CB-CD1 3.97Å; P78-F176 HydrophobicContact CB-CD2 3.73Å; P78-F176 HydrophobicContact CB-CE1 4Å; P78-F176 HydrophobicContact CB-CE2 3.76Å; P78-F176 HydrophobicContact CB-CG 3.84Å; P78-F176 HydrophobicContact CB-CZ 3.9Å; P78-F176 HydrophobicContact CG-CB 4.19Å; P78-F176 HydrophobicContact CG-CD1 3.73Å; P78-F176 HydrophobicContact CG-CD2 4.17Å; P78-F176 HydrophobicContact CG-CE1 4.13Å; P78-F176 HydrophobicContact CG-CG 3.75Å
79T96.8Very high93.6Very high65 Ų6558.7 Ų58.740%0.39932%0.317SS..Hα-helixtrans-65-16.4175.549.10000114.3R77 P85 Y135R77-T79 PolarHBondContact O-N 3.13Å; R77-T79 VanDerWaalsContact O-N 3.14Å; T79-P85 HydrophobicContact CG2-CG 3.83Å; T79-Y135 HydrophobicContact CG2-CE1 4.21Å
80E96.9Very high93.1Very high116 Ų11657.1 Ų57.154%0.54233%0.333SS..Hα-helixtrans-98.8-10175.5-58.1167.2178.100112.4K76 R77 P78K76-E80 WeakPolarHBondContact CA-OE2 3.44Å; K76-E80 HydrophobicContact CB-CB 4.47Å; K76-E80 WeakPolarHBondContact CB-OE2 3.41Å; R77-E80 HydrophobicContact CB-CG 4.35Å; R77-E80 PolarHBondContact N-OE2 3.44Å; R77-E80 WeakPolarHBondContact O-CA 3.44Å; R77-E80 WeakPolarHBondContact O-CB 3.01Å; R77-E80 PolarHBondContact O-N 2.93Å; P78-E80 PolarHBondContact O-N 3.21Å
81L94.8Very high92.7Very high50 Ų5057.2 Ų57.226%0.26234%0.338SS..Hα-helixtrans-102.9-37.9-175.9-63.6176000112.2K76 R77 P78 T160 L165 F176K76-L81 HydrophobicContact CB-CD2 3.95Å; K76-L81 HydrophobicContact CB-CG 4.18Å; K76-L81 HydrophobicContact CD-CD2 3.59Å; K76-L81 HydrophobicContact CG-CD2 4.44Å; R77-L81 PolarHBondContact O-N 3.35Å; P78-L81 PolarHBondContact O-N 2.62Å; L81-T160 HydrophobicContact CD1-CG2 4.03Å; L81-T160 HydrophobicContact CD2-CG2 4.05Å; L81-L165 HydrophobicContact CD1-CD2 4.12Å; L81-F176 HydrophobicContact CD1-CE1 4.26Å
82C93.3Very high92.4Very high19 Ų1950.8 Ų50.813%0.12831%0.31CS..  trans-139.9154.1178.774.50000111P78 N84 P85 F176P78-C82 PolarHBondContact O-N 3.16Å; C82-N84 PolarHBondContact O-N 3.48Å; C82-P85 WeakPolarHBondContact SG-CA 3.48Å; C82-F176 VanDerWaalsContact SG-CE2 3.58Å
83P91.8Very high92.2Very high139 Ų13950.7 Ų50.790%0.90330%0.299SS*.SBendtrans-72.4-24.8-174.127.1-34.8000114.1
84N94.1Very high91.4Very high95 Ų9551.1 Ų51.151%0.50830%0.299SS..SBendtrans-138.469.9-177.6-174.834.1000111.2C82 Q86 Q132C82-N84 PolarHBondContact O-N 3.48Å; N84-Q86 VanDerWaalsContact CG-NE2 3.26Å; N84-Q86 PolarHBondContact ND2-NE2 3.15Å; N84-Q86 VanDerWaalsContact ND2-NE2 3.1Å; N84-Q86 PolarHBondContact O-N 3.41Å; N84-Q86 PolarHBondContact O-NE2 2.82Å; N84-Q86 PolarHBondContact OD1-NE2 3.32Å; N84-Q132 PolarHBondContact OD1-NE2 3.41Å
85P96.3Very high90.6Very high9 Ų948 Ų486%0.05829%0.285CS..  trans-63.3135.2-177.827.2-34.5000110.6P78 T79 C82 F131 Q132 F176P78-P85 HydrophobicContact CB-CB 3.65Å; P78-P85 HydrophobicContact CB-CG 4.34Å; T79-P85 HydrophobicContact CG2-CG 3.83Å; C82-P85 WeakPolarHBondContact SG-CA 3.48Å; P85-F131 HydrophobicContact CB-CB 4.44Å; P85-F131 HydrophobicContact CB-CD1 4.2Å; P85-F131 HydrophobicContact CB-CD2 4.08Å; P85-F131 HydrophobicContact CB-CE2 4.39Å; P85-F131 HydrophobicContact CB-CG 3.99Å; P85-F131 HydrophobicContact CG-CB 4.05Å; P85-F131 HydrophobicContact CG-CD1 4.1Å; P85-F131 HydrophobicContact CG-CG 4Å; P85-F131 VanDerWaalsContact O-CB 3.31Å; P85-F131 WeakPolarHBondContact O-CB 3.49Å; P85-Q132 PolarHBondContact O-NE2 2.86Å; P85-F176 HydrophobicContact CB-CD2 4.01Å; P85-F176 HydrophobicContact CB-CE2 3.79Å
86Q95.5Very high89.9Confident47 Ų4746.5 Ų46.522%0.2228%0.279CS..BIsolated β-bridgetrans-113146176.2-61.3-56.2-44.900109.4N84 V89 F131 S174 E175 F176N84-Q86 VanDerWaalsContact CG-NE2 3.26Å; N84-Q86 PolarHBondContact ND2-NE2 3.15Å; N84-Q86 VanDerWaalsContact ND2-NE2 3.1Å; N84-Q86 PolarHBondContact O-N 3.41Å; N84-Q86 PolarHBondContact O-NE2 2.82Å; N84-Q86 PolarHBondContact OD1-NE2 3.32Å; Q86-V89 HydrophobicContact CB-CG2 3.26Å; Q86-V89 HydrophobicContact CG-CG2 3.58Å; Q86-F131 VanDerWaalsContact C-CD2 3.45Å; Q86-F131 WeakPolarHBondContact O-CE2 3.37Å; Q86-S174 PolarHBondContact N-O 2.86Å; Q86-E175 WeakPolarHBondContact O-CA 3.47Å; Q86-F176 PolarHBondContact O-N 3.24Å; Q86-F176 VanDerWaalsContact O-N 3.15Å
87F95Very high89.4Confident9 Ų943.4 Ų43.44%0.03927%0.266CS..SBendtrans-75.5-57.4173.7-172.3-115.8000109V125 Q129 F131 F139 F141 E175 W177 L180F87-V125 HydrophobicContact CE1-CG1 3.66Å; F87-V125 HydrophobicContact CZ-CG1 3.75Å; F87-Q129 HydrophobicContact CD1-CB 3.94Å; F87-Q129 HydrophobicContact CE1-CB 3.79Å; F87-Q129 HydrophobicContact CE1-CG 4.49Å; F87-Q129 HydrophobicContact CE2-CB 4.44Å; F87-Q129 HydrophobicContact CG-CB 4.33Å; F87-Q129 HydrophobicContact CZ-CB 4.06Å; F87-F131 HydrophobicContact CB-CD2 4.2Å; F87-F131 HydrophobicContact CB-CE2 4.17Å; F87-F131 HydrophobicContact CD2-CE2 4.32Å; F87-F139 AromaticContact CD2-CD1 3.72Å; F87-F139 HydrophobicContact CD2-CD1 3.72Å; F87-F139 AromaticContact CD2-CE1 3.47Å; F87-F139 HydrophobicContact CD2-CE1 3.47Å; F87-F139 VanDerWaalsContact CD2-CE1 3.47Å; F87-F139 HydrophobicContact CD2-CZ 4.43Å; F87-F139 AromaticContact CE2-CD1 3.5Å; F87-F139 HydrophobicContact CE2-CD1 3.5Å; F87-F139 VanDerWaalsContact CE2-CD1 3.5Å; F87-F139 AromaticContact CE2-CE1 3.79Å; F87-F139 HydrophobicContact CE2-CE1 3.79Å; F87-F139 HydrophobicContact CE2-CG 4.43Å; F87-F139 HydrophobicContact CG-CE1 4.2Å; F87-F139 HydrophobicContact CZ-CD1 4.26Å; F87-F141 HydrophobicContact CE2-CZ 4.13Å; F87-F141 HydrophobicContact CZ-CE1 4.11Å; F87-F141 HydrophobicContact CZ-CZ 4.04Å; F87-E175 WeakPolarHBondContact O-CG 3.28Å; F87-W177 HydrophobicContact CD1-CB 4.31Å; F87-W177 HydrophobicContact CD2-CB 4.06Å; F87-W177 HydrophobicContact CE1-CB 4.09Å; F87-W177 HydrophobicContact CE2-CB 3.83Å; F87-W177 HydrophobicContact CG-CB 4.31Å; F87-W177 HydrophobicContact CZ-CB 3.85Å; F87-W177 VanDerWaalsContact O-CB 3.23Å; F87-W177 WeakPolarHBondContact O-CB 3.26Å; F87-W177 VanDerWaalsContact O-CD1 3.31Å; F87-W177 PolarHBondContact O-N 2.66Å; F87-L180 HydrophobicContact CD2-CD1 4.2Å; F87-L180 HydrophobicContact CE2-CD1 4Å
88I92.6Very high88.8Confident39 Ų3943.4 Ų43.420%0.227%0.268CS..  trans-132.2136.8174.5-64.1170.2000108.5G91 A92 Y122 V125 E175 W177I88-G91 VanDerWaalsContact CG2-C 3.45Å; I88-A92 HydrophobicContact CD1-CB 4.08Å; I88-A92 HydrophobicContact CG1-CB 4.26Å; I88-A92 HydrophobicContact CG2-CB 3.92Å; I88-Y122 HydrophobicContact CD1-CE1 4.23Å; I88-V125 HydrophobicContact CD1-CG1 4.27Å; I88-E175 VanDerWaalsContact CA-OE1 3.26Å; I88-E175 WeakPolarHBondContact CA-OE1 3.34Å; I88-W177 HydrophobicContact CD1-CB 4.45Å; I88-W177 HydrophobicContact CD1-CG 4.4Å; I88-W177 HydrophobicContact CG1-CB 3.78Å; I88-W177 HydrophobicContact CG1-CG 3.69Å
89V81.6Confident88.3Confident53 Ų5344.7 Ų44.732%0.32127%0.274SS..SBendtrans-120.1124.5178.7-176.40000109.9Q86 G91 E175Q86-V89 HydrophobicContact CB-CG2 3.26Å; Q86-V89 HydrophobicContact CG-CG2 3.58Å; V89-G91 PolarHBondContact O-N 2.91Å; V89-G91 VanDerWaalsContact O-O 3.08Å; V89-E175 HydrophobicContact CG2-CB 4.16Å; V89-E175 HydrophobicContact CG2-CG 4.38Å; V89-E175 PolarHBondContact N-OE1 3.05Å
90G74.6Confident87.9Confident89 Ų8942.7 Ų42.792%0.91827%0.266SS*.SBendtrans68.75.8175.100000115.6
91G82.3Confident87.3Confident22 Ų2240.4 Ų40.423%0.22727%0.274CS..SBendtrans102148.1-171.300000109.9I88 V89 T93I88-G91 VanDerWaalsContact CG2-C 3.45Å; V89-G91 PolarHBondContact O-N 2.91Å; V89-G91 VanDerWaalsContact O-O 3.08Å; G91-T93 PolarHBondContact O-N 3.24Å
92A82.7Confident87Confident8 Ų838.3 Ų38.37%0.06626%0.263CS..  trans-81.4116.4-17900000109I88 D96 L121 W177I88-A92 HydrophobicContact CD1-CB 4.08Å; I88-A92 HydrophobicContact CG1-CB 4.26Å; I88-A92 HydrophobicContact CG2-CB 3.92Å; A92-D96 VanDerWaalsContact CA-OD2 3.28Å; A92-D96 WeakPolarHBondContact CA-OD2 3.43Å; A92-L121 HydrophobicContact CB-CD1 4.49Å; A92-L121 HydrophobicContact CB-CD2 3.44Å; A92-L121 VanDerWaalsContact CB-CD2 3.44Å; A92-L121 HydrophobicContact CB-CG 4.49Å; A92-W177 HydrophobicContact CB-CD2 4.21Å; A92-W177 HydrophobicContact CB-CH2 4.31Å; A92-W177 HydrophobicContact CB-CZ2 3.62Å
93T84.4Confident86.6Confident49 Ų4938.8 Ų38.830%0.30127%0.271SS..  trans-122.8165.9-172.373.60000111.4G91 T95 D96G91-T93 PolarHBondContact O-N 3.24Å; T93-T95 PolarHBondContact O-N 3.32Å; T93-T95 PolarHBondContact OG1-OG1 3.46Å; T93-D96 PolarHBondContact N-OD2 3.28Å; T93-D96 VanDerWaalsContact O-CB 3.3Å; T93-D96 WeakPolarHBondContact O-CB 3.28Å; T93-D96 PolarHBondContact O-N 3.44Å; T93-D96 VanDerWaalsContact O-N 3.15Å; T93-D96 PolarHBondContact OG1-OD1 2.88Å
94R78.7Confident86.5Confident41 Ų4132.1 Ų32.116%0.15523%0.228CC..G310 helixtrans-63.2-28.3-179.761.5-158.6179.2-65.6-10.9113D96 I97 A112 T115 R285 E323R94-D96 PolarHBondContact O-N 3.16Å; R94-I97 WeakPolarHBondContact O-CB 3.43Å; R94-I97 PolarHBondContact O-N 3.25Å; R94-I97 VanDerWaalsContact O-N 3.11Å; R94-A112 HydrophobicContact CB-CB 4.16Å; R94-T115 PolarHBondContact N-OG1 3.07Å; R94-R285 PolarHBondContact O-NH1 2.88Å; R94-R285 PolarHBondContact O-NH2 2.65Å; R94-E323 IonicContact CZ-OE1 2.87Å; R94-E323 IonicContact CZ-OE2 2.87Å; R94-E323 VanDerWaalsContact NE-CD 3.34Å; R94-E323 IonicContact NE-OE1 3.69Å; R94-E323 PolarHBondContact NE-OE1 2.89Å; R94-E323 IonicContact NE-OE2 2.75Å; R94-E323 PolarHBondContact NE-OE2 2.98Å; R94-E323 IonicContact NH2-OE1 3.62Å; R94-E323 PolarHBondContact NH2-OE1 2.74Å; R94-E323 IonicContact NH2-OE2 3.94Å; R94-E323 PolarHBondContact NH2-OE2 3.13Å
95T78.9Confident86.3Confident40 Ų4028.1 Ų28.125%0.24521%0.207CC..G310 helixtrans-65.6-16176.747.70000113T93 I97 D321T93-T95 PolarHBondContact O-N 3.32Å; T93-T95 PolarHBondContact OG1-OG1 3.46Å; T95-I97 PolarHBondContact O-N 3.49Å; T95-I97 VanDerWaalsContact O-N 3.16Å; T95-D321 HydrophobicContact CG2-CB 4.17Å
96D83.1Confident86.1Confident6 Ų627.9 Ų27.93%0.03221%0.205CC..G310 helixtrans-74.6-0.8175.1-39.3-4.6000112.5A92 T93 R94 H169 S170 E175 W177 S178A92-D96 VanDerWaalsContact CA-OD2 3.28Å; A92-D96 WeakPolarHBondContact CA-OD2 3.43Å; T93-D96 PolarHBondContact N-OD2 3.28Å; T93-D96 VanDerWaalsContact O-CB 3.3Å; T93-D96 WeakPolarHBondContact O-CB 3.28Å; T93-D96 PolarHBondContact O-N 3.44Å; T93-D96 VanDerWaalsContact O-N 3.15Å; T93-D96 PolarHBondContact OG1-OD1 2.88Å; R94-D96 PolarHBondContact O-N 3.16Å; D96-H169 CarbonylContact O-C 3.45Å; D96-S170 WeakPolarHBondContact O-CA 3.12Å; D96-E175 VanDerWaalsContact CB-OE2 3.32Å; D96-E175 WeakPolarHBondContact CB-OE2 3.38Å; D96-W177 HydrophobicContact CB-CZ2 4Å; D96-W177 PolarHBondContact OD2-NE1 3.5Å; D96-S178 PolarHBondContact O-OG 3.26Å
97I88Confident86Confident0 Ų025.6 Ų25.60%020%0.195CC..  trans-118.396.9-173.8-46.2-57.4000109.7R94 T95 L108 I111 A112 L168 W177 R285R94-I97 WeakPolarHBondContact O-CB 3.43Å; R94-I97 PolarHBondContact O-N 3.25Å; R94-I97 VanDerWaalsContact O-N 3.11Å; T95-I97 PolarHBondContact O-N 3.49Å; T95-I97 VanDerWaalsContact O-N 3.16Å; I97-L108 HydrophobicContact CG2-CB 3.75Å; I97-L108 HydrophobicContact CG2-CD2 4.02Å; I97-L108 HydrophobicContact CG2-CG 3.83Å; I97-I111 HydrophobicContact CD1-CB 4.23Å; I97-I111 HydrophobicContact CD1-CG2 3.36Å; I97-I111 HydrophobicContact CG1-CG2 4Å; I97-A112 HydrophobicContact CG1-CB 4.5Å; I97-L168 HydrophobicContact CD1-CD2 4.18Å; I97-L168 HydrophobicContact CG2-CD1 4.26Å; I97-L168 HydrophobicContact CG2-CG 4.48Å; I97-W177 HydrophobicContact CD1-CH2 3.87Å; I97-W177 HydrophobicContact CD1-CZ2 3.97Å; I97-R285 PolarHBondContact O-NH1 3.39Å; I97-R285 PolarHBondContact O-NH2 3.17Å
98C85.5Confident85.9Confident16 Ų1625.2 Ų25.211%0.10819%0.193CC..BIsolated β-bridgetrans-120.6129.1170.5-61.50000109.8L168 H169C98-L168 WeakPolarHBondContact O-CA 3.27Å; C98-H169 WeakPolarHBondContact CB-O 3.28Å; C98-H169 PolarHBondContact N-O 2.93Å; C98-H169 PolarHBondContact O-N 2.87Å
99Q87.8Confident85.8Confident26 Ų2623.3 Ų23.312%0.12118%0.183CC..  trans-70.1135-178.6-164.9172.3-24.500112.3L102 L108 P287Q99-L102 PolarHBondContact NE2-O 3.39Å; Q99-L108 HydrophobicContact CB-CD2 3.47Å; Q99-L108 VanDerWaalsContact CB-CD2 3.47Å; Q99-L108 HydrophobicContact CG-CD2 3.76Å; Q99-P287 PolarHBondContact N-O 2.64Å
100G88.3Confident86.3Confident23 Ų2320.8 Ų20.824%0.23717%0.168CC..  trans-91.1-153.3169.300000112.7L102 V166G100-L102 PolarHBondContact O-N 2.9Å; G100-L102 VanDerWaalsContact O-N 3.11Å; G100-V166 CarbonylContact C-O 3.56Å; G100-V166 WeakPolarHBondContact CA-O 3.48Å
101G83.9Confident87.2Confident69 Ų6916.6 Ų16.671%0.71113%0.125SC*.SBendtrans-78.918.5-177.200000116.1V166G101-V166 PolarHBondContact N-O 3.24Å
102L88.2Confident87.6Confident6 Ų615.6 Ų15.63%0.03111%0.114CC..SBendtrans-109.6139.1-179.2-175.861.2000110.5L63 Q99 G100 D104 F167 Y192 L195 A196L63-L102 HydrophobicContact CD1-CD1 3.75Å; Q99-L102 PolarHBondContact NE2-O 3.39Å; G100-L102 PolarHBondContact O-N 2.9Å; G100-L102 VanDerWaalsContact O-N 3.11Å; L102-D104 HydrophobicContact CD2-CB 4.15Å; L102-D104 WeakPolarHBondContact CD2-OD2 3.21Å; L102-D104 HydrophobicContact CG-CB 4.02Å; L102-D104 PolarHBondContact O-N 2.9Å; L102-F167 HydrophobicContact CB-CD1 3.63Å; L102-F167 HydrophobicContact CB-CE1 3.84Å; L102-F167 HydrophobicContact CD2-CD1 4.22Å; L102-F167 HydrophobicContact CD2-CE1 4.29Å; L102-F167 HydrophobicContact CG-CE1 4.46Å; L102-Y192 HydrophobicContact CD2-CD1 4.23Å; L102-L195 HydrophobicContact CD2-CB 4.26Å; L102-A196 HydrophobicContact CD1-CB 4.15Å
103G86.4Confident87.9Confident28 Ų2815.2 Ų15.229%0.28911%0.111SC..SBendtrans-80.252.1178.200000113.4G197G103-G197 PolarHBondContact O-N 3.12Å
104D89.3Confident88.2Confident0 Ų012.9 Ų12.90%010%0.097CC..  trans-118.228.4-177.468.8-26.2000113L102 W106 L107 L108 L195L102-D104 HydrophobicContact CD2-CB 4.15Å; L102-D104 WeakPolarHBondContact CD2-OD2 3.21Å; L102-D104 HydrophobicContact CG-CB 4.02Å; L102-D104 PolarHBondContact O-N 2.9Å; D104-W106 PolarHBondContact O-N 3.47Å; D104-L107 HydrophobicContact CB-CB 4.48Å; D104-L107 WeakPolarHBondContact O-CA 3.27Å; D104-L107 WeakPolarHBondContact O-CB 3.31Å; D104-L107 PolarHBondContact O-N 3.44Å; D104-L108 WeakPolarHBondContact O-CD1 3.25Å; D104-L108 PolarHBondContact O-N 3.45Å; D104-L195 HydrophobicContact CB-CB 4Å
105C89.1Confident88.7Confident11 Ų1111.6 Ų11.67%0.0749%0.093CC..Hα-helixtrans-45.1-34.8175.158.70000114.7L107 L108 A109 H262 P287C105-L107 VanDerWaalsContact C-N 3.3Å; C105-L107 PolarHBondContact O-N 3.31Å; C105-L108 PolarHBondContact O-N 3.36Å; C105-A109 WeakPolarHBondContact O-CB 3.13Å; C105-A109 PolarHBondContact O-N 3.45Å; C105-H262 WeakPolarHBondContact CB-CE1 3.4Å; C105-H262 WeakPolarHBondContact CB-ND1 3.33Å; C105-H262 PolarHBondContact SG-ND1 3.27Å; C105-H262 VanDerWaalsContact SG-ND1 3.38Å; C105-P287 HydrophobicContact CB-CG 4.35Å
106W92.7Very high89Confident3 Ų313.2 Ų13.21%0.01110%0.1CC..Hα-helixtrans-58.6-39175.570-89.3000112.8D104 A110 Y185 L195 G198 T200 E202 A263D104-W106 PolarHBondContact O-N 3.47Å; W106-A110 PolarHBondContact O-N 3.06Å; W106-Y185 AromaticContact CH2-CE1 3.67Å; W106-Y185 HydrophobicContact CH2-CE1 3.67Å; W106-Y185 HydrophobicContact CZ2-CE1 4.35Å; W106-Y185 HydrophobicContact CZ3-CE1 4.47Å; W106-L195 PolarHBondContact NE1-O 3.28Å; W106-G198 WeakPolarHBondContact CB-O 3.49Å; W106-G198 VanDerWaalsContact CD1-N 3.29Å; W106-G198 VanDerWaalsContact CG-C 3.48Å; W106-T200 WeakPolarHBondContact O-CG2 3.43Å; W106-E202 HydrophobicContact CE3-CB 4.19Å; W106-E202 HydrophobicContact CH2-CB 4.09Å; W106-E202 HydrophobicContact CZ3-CB 3.58Å; W106-A263 HydrophobicContact CB-CB 4.38Å
107L93.7Very high89Confident0 Ų013.9 Ų13.90%010%0.104CC..Hα-helixtrans-72.7-42.7177.6-179.864.5000109.8D104 C105 A110 I111 E182 Y185 L195 F207D104-L107 HydrophobicContact CB-CB 4.48Å; D104-L107 WeakPolarHBondContact O-CA 3.27Å; D104-L107 WeakPolarHBondContact O-CB 3.31Å; D104-L107 PolarHBondContact O-N 3.44Å; C105-L107 VanDerWaalsContact C-N 3.3Å; C105-L107 PolarHBondContact O-N 3.31Å; L107-A110 CarbonylContact O-C 3.23Å; L107-A110 WeakPolarHBondContact O-CA 3.26Å; L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 2.96Å; L107-I111 HydrophobicContact CG-CD1 4.03Å; L107-I111 HydrophobicContact CG-CG1 4.49Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.48Å; L107-E182 HydrophobicContact CD2-CG 4.48Å; L107-Y185 HydrophobicContact CD1-CD1 3.76Å; L107-Y185 HydrophobicContact CD1-CE1 3.76Å; L107-Y185 HydrophobicContact CD1-CG 4.26Å; L107-Y185 HydrophobicContact CD2-CD1 3.54Å; L107-Y185 HydrophobicContact CD2-CE1 4.13Å; L107-Y185 HydrophobicContact CD2-CG 4.25Å; L107-Y185 HydrophobicContact CG-CD1 4.31Å; L107-L195 HydrophobicContact CD2-CD1 3.91Å; L107-F207 HydrophobicContact CD1-CE1 4.42Å; L107-F207 HydrophobicContact CD1-CE2 4.28Å; L107-F207 HydrophobicContact CD1-CZ 3.6Å
108L92.5Very high89Confident0 Ų019.6 Ų19.60%013%0.13CC..Hα-helixtrans-66.2-41.5-179.5-81.472.6000112.3I97 Q99 D104 C105 A110 I111 A112 L168 P287I97-L108 HydrophobicContact CG2-CB 3.75Å; I97-L108 HydrophobicContact CG2-CD2 4.02Å; I97-L108 HydrophobicContact CG2-CG 3.83Å; Q99-L108 HydrophobicContact CB-CD2 3.47Å; Q99-L108 VanDerWaalsContact CB-CD2 3.47Å; Q99-L108 HydrophobicContact CG-CD2 3.76Å; D104-L108 WeakPolarHBondContact O-CD1 3.25Å; D104-L108 PolarHBondContact O-N 3.45Å; C105-L108 PolarHBondContact O-N 3.36Å; L108-A110 PolarHBondContact O-N 2.88Å; L108-I111 PolarHBondContact O-N 2.95Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.77Å; L108-L168 HydrophobicContact CD1-CD1 3.89Å; L108-L168 HydrophobicContact CD2-CD1 4.08Å; L108-L168 HydrophobicContact CD2-CG 4Å; L108-L168 HydrophobicContact CG-CD1 3.57Å; L108-L168 HydrophobicContact CG-CG 4.07Å; L108-P287 HydrophobicContact CB-CB 3.65Å
109A89.8Confident89.1Confident0 Ų025.5 Ų25.50%015%0.154CC..Hα-helixtrans-59.4-37.317100000111C105 S113 T200 A263 S265 P287C105-A109 WeakPolarHBondContact O-CB 3.13Å; C105-A109 PolarHBondContact O-N 3.45Å; A109-S113 PolarHBondContact O-N 3.4Å; A109-S113 PolarHBondContact O-OG 3.28Å; A109-S113 VanDerWaalsContact O-OG 3.14Å; A109-T200 HydrophobicContact CB-CG2 3.96Å; A109-A263 HydrophobicContact CB-CB 3.71Å; A109-S265 WeakPolarHBondContact CA-OG 3.36Å; A109-S265 PolarHBondContact O-OG 3.04Å; A109-P287 HydrophobicContact CB-CG 4.27Å
110A93.5Very high89.1Confident0 Ų024.5 Ų24.50%015%0.149CC..Hα-helixtrans-66.2-43.717500000112.7W106 L107 L108 S113 L114 T200 F204 F207W106-A110 PolarHBondContact O-N 3.06Å; L107-A110 CarbonylContact O-C 3.23Å; L107-A110 WeakPolarHBondContact O-CA 3.26Å; L107-A110 WeakPolarHBondContact O-CB 3.46Å; L107-A110 PolarHBondContact O-N 2.96Å; L108-A110 PolarHBondContact O-N 2.88Å; A110-S113 PolarHBondContact O-N 3.2Å; A110-L114 PolarHBondContact O-N 3.43Å; A110-T200 HydrophobicContact CB-CG2 3.94Å; A110-F204 HydrophobicContact CB-CD1 3.77Å; A110-F204 HydrophobicContact CB-CE1 3.94Å; A110-F207 HydrophobicContact CB-CD2 4.09Å; A110-F207 HydrophobicContact CB-CE2 3.67Å
111I93.1Very high89.2Confident1 Ų123.4 Ų23.41%0.00514%0.138CC..Hα-helixtrans-65.4-42.7177.5-61.6165.3000110I97 L107 L108 S113 L114 T115 L168 W177 L181 F207I97-I111 HydrophobicContact CD1-CB 4.23Å; I97-I111 HydrophobicContact CD1-CG2 3.36Å; I97-I111 HydrophobicContact CG1-CG2 4Å; L107-I111 HydrophobicContact CG-CD1 4.03Å; L107-I111 HydrophobicContact CG-CG1 4.49Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.48Å; L108-I111 PolarHBondContact O-N 2.95Å; I111-S113 PolarHBondContact O-N 3.41Å; I111-L114 VanDerWaalsContact O-CB 3.28Å; I111-L114 WeakPolarHBondContact O-CB 3.37Å; I111-L114 PolarHBondContact O-N 3.28Å; I111-L114 VanDerWaalsContact O-N 3.1Å; I111-T115 WeakPolarHBondContact O-CG2 3.36Å; I111-T115 PolarHBondContact O-N 3.44Å; I111-L168 HydrophobicContact CD1-CD1 3.76Å; I111-W177 HydrophobicContact CG2-CH2 3.64Å; I111-W177 HydrophobicContact CG2-CZ3 3.84Å; I111-L181 HydrophobicContact CD1-CD2 3.98Å; I111-L181 HydrophobicContact CG1-CD2 3.89Å; I111-L181 HydrophobicContact CG2-CD2 3.91Å; I111-F207 HydrophobicContact CB-CE2 4.39Å; I111-F207 HydrophobicContact CD1-CZ 4.41Å; I111-F207 HydrophobicContact CG1-CE2 3.61Å; I111-F207 HydrophobicContact CG1-CZ 3.55Å
112A89.3Confident89.6Confident0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-60.2-44.4177.400000111.5R94 I97 L108 L114 T115R94-A112 HydrophobicContact CB-CB 4.16Å; I97-A112 HydrophobicContact CG1-CB 4.5Å; L108-A112 WeakPolarHBondContact O-CB 3.46Å; L108-A112 PolarHBondContact O-N 2.77Å; A112-L114 VanDerWaalsContact C-N 3.32Å; A112-L114 PolarHBondContact O-N 2.73Å; A112-T115 PolarHBondContact O-N 2.96Å; A112-T115 PolarHBondContact O-OG1 2.81Å
113S89.8Confident89.8Confident1 Ų124.1 Ų24.11%0.00712%0.119CC..Hα-helixtrans-65.5-34.1174.5-59.50000112.4A109 A110 I111 T115 L116 L237 L238 S265A109-S113 PolarHBondContact O-N 3.4Å; A109-S113 PolarHBondContact O-OG 3.28Å; A109-S113 VanDerWaalsContact O-OG 3.14Å; A110-S113 PolarHBondContact O-N 3.2Å; I111-S113 PolarHBondContact O-N 3.41Å; S113-T115 PolarHBondContact O-N 3.31Å; S113-L116 VanDerWaalsContact O-CB 3.31Å; S113-L116 WeakPolarHBondContact O-CB 3.29Å; S113-L116 WeakPolarHBondContact O-CG 3.13Å; S113-L116 PolarHBondContact O-N 2.95Å; S113-L116 VanDerWaalsContact O-N 3.12Å; S113-L237 WeakPolarHBondContact O-CD2 3.46Å; S113-L238 PolarHBondContact OG-O 3.39Å; S113-L238 VanDerWaalsContact OG-O 3.06Å; S113-S265 VanDerWaalsContact OG-CB 3.28Å; S113-S265 WeakPolarHBondContact OG-CB 3.22Å; S113-S265 PolarHBondContact OG-OG 3.5Å
114L90.5Very high90.2Very high0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-59.3-35.1176.9-177.965000112A110 I111 A112 L116 N117 L120 L121 V124 F207A110-L114 PolarHBondContact O-N 3.43Å; I111-L114 VanDerWaalsContact O-CB 3.28Å; I111-L114 WeakPolarHBondContact O-CB 3.37Å; I111-L114 PolarHBondContact O-N 3.28Å; I111-L114 VanDerWaalsContact O-N 3.1Å; A112-L114 VanDerWaalsContact C-N 3.32Å; A112-L114 PolarHBondContact O-N 2.73Å; L114-L116 PolarHBondContact O-N 2.94Å; L114-N117 CarbonylContact O-C 3.5Å; L114-N117 PolarHBondContact O-N 3.27Å; L114-N117 VanDerWaalsContact O-N 3.08Å; L114-L120 HydrophobicContact CD1-CB 3.62Å; L114-L121 HydrophobicContact CD2-CD1 4.05Å; L114-L121 HydrophobicContact CG-CB 4.18Å; L114-L121 HydrophobicContact CG-CD1 4.13Å; L114-V124 HydrophobicContact CD2-CB 4.03Å; L114-V124 HydrophobicContact CD2-CG1 4.26Å; L114-V124 HydrophobicContact CD2-CG2 4.03Å; L114-F207 HydrophobicContact CB-CD2 4.39Å; L114-F207 HydrophobicContact CD1-CB 4.14Å; L114-F207 HydrophobicContact CD2-CB 4.2Å; L114-F207 HydrophobicContact CD2-CD2 4.07Å; L114-F207 HydrophobicContact CD2-CG 4.04Å
115T89.4Confident90.6Very high14 Ų1422.8 Ų22.89%0.08611%0.106CC..THydrogen-bonded Turntrans-63.4-20.3178.172.10000113.8R94 I111 A112 S113 N117 W177R94-T115 PolarHBondContact N-OG1 3.07Å; I111-T115 WeakPolarHBondContact O-CG2 3.36Å; I111-T115 PolarHBondContact O-N 3.44Å; A112-T115 PolarHBondContact O-N 2.96Å; A112-T115 PolarHBondContact O-OG1 2.81Å; S113-T115 PolarHBondContact O-N 3.31Å; T115-N117 PolarHBondContact O-N 2.74Å; T115-W177 HydrophobicContact CG2-CH2 3.89Å; T115-W177 HydrophobicContact CG2-CZ2 4.11Å
116L84.4Confident90.8Very high74 Ų7423 Ų2339%0.38711%0.107SC..THydrogen-bonded Turntrans-70.8-16.5176.5-56.9175.4000112.5S113 L114 T267S113-L116 VanDerWaalsContact O-CB 3.31Å; S113-L116 WeakPolarHBondContact O-CB 3.29Å; S113-L116 WeakPolarHBondContact O-CG 3.13Å; S113-L116 PolarHBondContact O-N 2.95Å; S113-L116 VanDerWaalsContact O-N 3.12Å; L114-L116 PolarHBondContact O-N 2.94Å; L116-T267 HydrophobicContact CD1-CG2 4.19Å
117N85Confident90.7Very high20 Ų2029.4 Ų29.411%0.10714%0.135CC..  trans-127.692.3179.1-170.4-28.8000110.5L114 T115 K119 L120 L121 G235L114-N117 CarbonylContact O-C 3.5Å; L114-N117 PolarHBondContact O-N 3.27Å; L114-N117 VanDerWaalsContact O-N 3.08Å; T115-N117 PolarHBondContact O-N 2.74Å; N117-K119 PolarHBondContact O-N 3.19Å; N117-K119 VanDerWaalsContact O-N 3.12Å; N117-K119 PolarHBondContact OD1-N 2.82Å; N117-L120 HydrophobicContact CB-CB 4.26Å; N117-L120 HydrophobicContact CB-CD1 3.96Å; N117-L120 HydrophobicContact CB-CG 4.29Å; N117-L120 VanDerWaalsContact ND2-CD1 3.32Å; N117-L120 WeakPolarHBondContact ND2-CD1 3.35Å; N117-L120 PolarHBondContact O-N 3.25Å; N117-L120 PolarHBondContact OD1-N 3.31Å; N117-L121 PolarHBondContact O-N 2.92Å; N117-G235 PolarHBondContact ND2-O 3Å
118E87.2Confident90.5Very high119 Ų11933.2 Ų33.256%0.55616%0.155SC*.Hα-helixtrans-51.9-38.2-179.6-74.8-168.4-172.200113.5L120 L121 Y122E118-L120 VanDerWaalsContact C-N 3.35Å; E118-L120 PolarHBondContact O-N 2.92Å; E118-L121 PolarHBondContact O-N 3.47Å; E118-Y122 HydrophobicContact CB-CD2 4.07Å; E118-Y122 HydrophobicContact CB-CE2 3.82Å; E118-Y122 HydrophobicContact CG-CE2 4.12Å; E118-Y122 WeakPolarHBondContact O-CD2 3.3Å; E118-Y122 PolarHBondContact O-N 3.35Å
119K86.9Confident90.6Very high141 Ų14133.9 Ų33.961%0.61316%0.158SC*.Hα-helixtrans-64-41.9-178.6-67.1-179.4-179.4176.10111.5N117 R123 L348N117-K119 PolarHBondContact O-N 3.19Å; N117-K119 VanDerWaalsContact O-N 3.12Å; N117-K119 PolarHBondContact OD1-N 2.82Å; K119-R123 PolarHBondContact O-N 2.82Å; K119-L348 HydrophobicContact CB-CD2 4.16Å; K119-L348 HydrophobicContact CD-CD2 3.96Å
120L87.8Confident90.9Very high4 Ų435.6 Ų35.62%0.02117%0.17CC..Hα-helixtrans-73.4-39.5176.1-65.9173.3000111.5L114 N117 E118 Y122 R123 V124 T208 L237 L343L114-L120 HydrophobicContact CD1-CB 3.62Å; N117-L120 HydrophobicContact CB-CB 4.26Å; N117-L120 HydrophobicContact CB-CD1 3.96Å; N117-L120 HydrophobicContact CB-CG 4.29Å; N117-L120 VanDerWaalsContact ND2-CD1 3.32Å; N117-L120 WeakPolarHBondContact ND2-CD1 3.35Å; N117-L120 PolarHBondContact O-N 3.25Å; N117-L120 PolarHBondContact OD1-N 3.31Å; E118-L120 VanDerWaalsContact C-N 3.35Å; E118-L120 PolarHBondContact O-N 2.92Å; L120-Y122 PolarHBondContact O-N 3.08Å; L120-R123 VanDerWaalsContact O-CB 3.27Å; L120-R123 WeakPolarHBondContact O-CB 3.25Å; L120-R123 PolarHBondContact O-N 3.45Å; L120-R123 VanDerWaalsContact O-N 3.14Å; L120-V124 PolarHBondContact O-N 2.95Å; L120-T208 HydrophobicContact CD1-CG2 4.03Å; L120-L237 HydrophobicContact CD1-CD2 4.48Å; L120-L343 HydrophobicContact CD1-CD1 3.86Å; L120-L343 HydrophobicContact CD1-CD2 3.43Å; L120-L343 VanDerWaalsContact CD1-CD2 3.43Å; L120-L343 HydrophobicContact CD1-CG 4.3Å; L120-L343 HydrophobicContact CD2-CD2 4.36Å
121L91.6Very high91Very high1 Ų136.2 Ų36.21%0.00517%0.173CC..Hα-helixtrans-55.8-52.3175.5173.470.5000110.9A92 L114 N117 E118 R123 V124 V125 W177A92-L121 HydrophobicContact CB-CD1 4.49Å; A92-L121 HydrophobicContact CB-CD2 3.44Å; A92-L121 VanDerWaalsContact CB-CD2 3.44Å; A92-L121 HydrophobicContact CB-CG 4.49Å; L114-L121 HydrophobicContact CD2-CD1 4.05Å; L114-L121 HydrophobicContact CG-CB 4.18Å; L114-L121 HydrophobicContact CG-CD1 4.13Å; N117-L121 PolarHBondContact O-N 2.92Å; E118-L121 PolarHBondContact O-N 3.47Å; L121-R123 PolarHBondContact O-N 3.41Å; L121-V124 PolarHBondContact O-N 3.27Å; L121-V125 HydrophobicContact CD1-CB 4.45Å; L121-V125 HydrophobicContact CD1-CG2 3.99Å; L121-V125 WeakPolarHBondContact O-CB 3.43Å; L121-V125 PolarHBondContact O-N 3.35Å; L121-W177 HydrophobicContact CD1-CH2 3.97Å; L121-W177 HydrophobicContact CD1-CZ3 3.86Å
122Y92.2Very high91.1Very high52 Ų5240.9 Ų40.920%0.20420%0.195CC..Hα-helixtrans-73.4-9.7-177.9-63.2-56.2000114I88 E118 L120 V125 K127I88-Y122 HydrophobicContact CD1-CE1 4.23Å; E118-Y122 HydrophobicContact CB-CD2 4.07Å; E118-Y122 HydrophobicContact CB-CE2 3.82Å; E118-Y122 HydrophobicContact CG-CE2 4.12Å; E118-Y122 WeakPolarHBondContact O-CD2 3.3Å; E118-Y122 PolarHBondContact O-N 3.35Å; L120-Y122 PolarHBondContact O-N 3.08Å; Y122-V125 WeakPolarHBondContact CA-O 3.38Å; Y122-K127 HydrophobicContact CD1-CD 3.95Å; Y122-K127 HydrophobicContact CD1-CG 3.3Å; Y122-K127 HydrophobicContact CD2-CD 4.3Å; Y122-K127 HydrophobicContact CD2-CG 4.48Å; Y122-K127 HydrophobicContact CE1-CD 4.1Å; Y122-K127 HydrophobicContact CE1-CG 3.67Å; Y122-K127 HydrophobicContact CE2-CD 4.47Å; Y122-K127 HydrophobicContact CG-CD 4.05Å; Y122-K127 HydrophobicContact CG-CG 3.75Å
123R91.4Very high91.4Very high37 Ų3748.1 Ų48.114%0.1423%0.226CC..Hα-helixtrans-73-42166.2172.763.3-167.4161.87.6111N21 K119 L120 L121 Q142 W149N21-R123 VanDerWaalsContact CG-CZ 3.47Å; N21-R123 PolarHBondContact O-NH1 3.18Å; N21-R123 PolarHBondContact O-NH2 3.43Å; N21-R123 PolarHBondContact OD1-NE 3.4Å; N21-R123 PolarHBondContact OD1-NH1 2.87Å; K119-R123 PolarHBondContact O-N 2.82Å; L120-R123 VanDerWaalsContact O-CB 3.27Å; L120-R123 WeakPolarHBondContact O-CB 3.25Å; L120-R123 PolarHBondContact O-N 3.45Å; L120-R123 VanDerWaalsContact O-N 3.14Å; L121-R123 PolarHBondContact O-N 3.41Å; R123-Q142 WeakPolarHBondContact O-CB 3.33Å; R123-Q142 PolarHBondContact O-OE1 3.27Å; R123-W149 HydrophobicContact CG-CH2 3.53Å; R123-W149 HydrophobicContact CG-CZ2 4.01Å; R123-W149 HydrophobicContact CG-CZ3 3.87Å; R123-W149 VanDerWaalsContact NH2-CD2 3.27Å
124V95.9Very high91.6Very high0 Ų052.4 Ų52.40%025%0.249CC..Hα-helixtrans-81.4-35.7178.4176.30000112.1L114 L120 L121 P126 F141 Q142 F143 W149 L181 F207L114-V124 HydrophobicContact CD2-CB 4.03Å; L114-V124 HydrophobicContact CD2-CG1 4.26Å; L114-V124 HydrophobicContact CD2-CG2 4.03Å; L120-V124 PolarHBondContact O-N 2.95Å; L121-V124 PolarHBondContact O-N 3.27Å; V124-P126 WeakPolarHBondContact O-CD 3.06Å; V124-F141 WeakPolarHBondContact O-CA 3.32Å; V124-Q142 WeakPolarHBondContact CA-O 3.35Å; V124-Q142 WeakPolarHBondContact CG1-O 3.44Å; V124-Q142 PolarHBondContact O-N 3.26Å; V124-F143 HydrophobicContact CG1-CD1 4.35Å; V124-F143 HydrophobicContact CG1-CE1 4.14Å; V124-W149 HydrophobicContact CG2-CZ3 4.45Å; V124-L181 HydrophobicContact CG1-CD1 3.6Å; V124-F207 HydrophobicContact CG1-CD1 4.06Å; V124-F207 HydrophobicContact CG1-CE1 4.47Å; V124-F207 HydrophobicContact CG2-CB 3.94Å; V124-F207 HydrophobicContact CG2-CD1 4.23Å; V124-F207 HydrophobicContact CG2-CG 4.39Å; V124-F207 VanDerWaalsContact CG2-O 3.29Å; V124-F207 WeakPolarHBondContact CG2-O 3.33Å
125V96.4Very high92Very high0 Ų054.8 Ų54.80%026%0.258CS..SBendtrans-118.886.9-175.1-1740000109.3F87 I88 L121 Y122 K127 F141 W177 L181F87-V125 HydrophobicContact CE1-CG1 3.66Å; F87-V125 HydrophobicContact CZ-CG1 3.75Å; I88-V125 HydrophobicContact CD1-CG1 4.27Å; L121-V125 HydrophobicContact CD1-CB 4.45Å; L121-V125 HydrophobicContact CD1-CG2 3.99Å; L121-V125 WeakPolarHBondContact O-CB 3.43Å; L121-V125 PolarHBondContact O-N 3.35Å; Y122-V125 WeakPolarHBondContact CA-O 3.38Å; V125-K127 PolarHBondContact O-N 2.81Å; V125-F141 HydrophobicContact CB-CD1 4.43Å; V125-F141 HydrophobicContact CB-CE1 4.44Å; V125-F141 HydrophobicContact CG1-CD1 4.41Å; V125-F141 HydrophobicContact CG1-CE1 3.97Å; V125-F141 HydrophobicContact CG2-CD1 4.04Å; V125-F141 HydrophobicContact CG2-CE1 4.1Å; V125-W177 HydrophobicContact CG1-CB 4.49Å; V125-W177 HydrophobicContact CG1-CE3 4.37Å; V125-W177 HydrophobicContact CG2-CE3 3.92Å; V125-W177 HydrophobicContact CG2-CZ3 4.09Å; V125-L181 HydrophobicContact CG2-CD1 4.24Å; V125-L181 HydrophobicContact CG2-CD2 4.26Å
126P94.5Very high92.4Very high15 Ų1554.3 Ų54.310%0.09726%0.255CS..  trans-55.1136.4-179.8-29.637.6000113.3V124 D128 Q129 H140V124-P126 WeakPolarHBondContact O-CD 3.06Å; P126-D128 VanDerWaalsContact C-N 3.28Å; P126-D128 WeakPolarHBondContact CB-OD1 3.45Å; P126-D128 PolarHBondContact O-N 3.21Å; P126-Q129 PolarHBondContact O-NE2 2.95Å; P126-H140 WeakPolarHBondContact CB-NE2 3.27Å
127K90Very high93Very high139 Ų13950.8 Ų50.860%0.60424%0.237SC*.THydrogen-bonded Turntrans-74.2-10.5-176.1-69.2-170.5-178.1-164.10114.8Y122 V125 Q129Y122-K127 HydrophobicContact CD1-CD 3.95Å; Y122-K127 HydrophobicContact CD1-CG 3.3Å; Y122-K127 HydrophobicContact CD2-CD 4.3Å; Y122-K127 HydrophobicContact CD2-CG 4.48Å; Y122-K127 HydrophobicContact CE1-CD 4.1Å; Y122-K127 HydrophobicContact CE1-CG 3.67Å; Y122-K127 HydrophobicContact CE2-CD 4.47Å; Y122-K127 HydrophobicContact CG-CD 4.05Å; Y122-K127 HydrophobicContact CG-CG 3.75Å; V125-K127 PolarHBondContact O-N 2.81Å; K127-Q129 PolarHBondContact O-N 3.48Å
128D89.1Confident93.7Very high79 Ų7950.2 Ų50.242%0.42223%0.234SC..THydrogen-bonded Turntrans-8419.1-172.366.6-48.1000113.5R36 P126 H140R36-D128 PolarHBondContact NH1-O 3.16Å; P126-D128 VanDerWaalsContact C-N 3.28Å; P126-D128 WeakPolarHBondContact CB-OD1 3.45Å; P126-D128 PolarHBondContact O-N 3.21Å; D128-H140 IonicContact OD1-NE2 3.44Å
129Q94.8Very high94.2Very high15 Ų1544.6 Ų44.67%0.0721%0.208CC..  trans-113.2137.7-172.5-55.8-174.585.900111.2F87 P126 K127 F139 H140F87-Q129 HydrophobicContact CD1-CB 3.94Å; F87-Q129 HydrophobicContact CE1-CB 3.79Å; F87-Q129 HydrophobicContact CE1-CG 4.49Å; F87-Q129 HydrophobicContact CE2-CB 4.44Å; F87-Q129 HydrophobicContact CG-CB 4.33Å; F87-Q129 HydrophobicContact CZ-CB 4.06Å; P126-Q129 PolarHBondContact O-NE2 2.95Å; K127-Q129 PolarHBondContact O-N 3.48Å; Q129-F139 HydrophobicContact CB-CD1 3.94Å; Q129-F139 HydrophobicContact CB-CE1 4.14Å; Q129-F139 HydrophobicContact CG-CD1 4.42Å; Q129-F139 VanDerWaalsContact OE1-CA 3.24Å; Q129-F139 VanDerWaalsContact OE1-CB 3.28Å; Q129-H140 PolarHBondContact NE2-O 2.91Å; Q129-H140 PolarHBondContact OE1-O 3.34Å
130S95.3Very high94.8Very high35 Ų3538.6 Ų38.625%0.24518%0.182CC..  trans-160.5148.6-177.6174.50000111Q132 K133S130-Q132 VanDerWaalsContact C-N 3.35Å; S130-Q132 PolarHBondContact OG-N 2.8Å; S130-Q132 PolarHBondContact OG-OE1 3.26Å; S130-Q132 VanDerWaalsContact OG-OE1 3.13Å; S130-K133 PolarHBondContact OG-N 3.04Å
131F96.9Very high95.3Very high13 Ų1338.4 Ų38.46%0.05718%0.181CC..SBendtrans-81-15.8168.8-69.5-81000113.1P78 P85 Q86 F87 Y135 F139 D156 F176 L180P78-F131 HydrophobicContact CB-CD1 4.46Å; P78-F131 HydrophobicContact CB-CE1 3.72Å; P78-F131 HydrophobicContact CB-CZ 3.84Å; P78-F131 HydrophobicContact CG-CE1 3.71Å; P78-F131 HydrophobicContact CG-CZ 3.67Å; P85-F131 HydrophobicContact CB-CB 4.44Å; P85-F131 HydrophobicContact CB-CD1 4.2Å; P85-F131 HydrophobicContact CB-CD2 4.08Å; P85-F131 HydrophobicContact CB-CE2 4.39Å; P85-F131 HydrophobicContact CB-CG 3.99Å; P85-F131 HydrophobicContact CG-CB 4.05Å; P85-F131 HydrophobicContact CG-CD1 4.1Å; P85-F131 HydrophobicContact CG-CG 4Å; P85-F131 VanDerWaalsContact O-CB 3.31Å; P85-F131 WeakPolarHBondContact O-CB 3.49Å; Q86-F131 VanDerWaalsContact C-CD2 3.45Å; Q86-F131 WeakPolarHBondContact O-CE2 3.37Å; F87-F131 HydrophobicContact CB-CD2 4.2Å; F87-F131 HydrophobicContact CB-CE2 4.17Å; F87-F131 HydrophobicContact CD2-CE2 4.32Å; F131-Y135 AromaticContact CD1-CD2 3.96Å; F131-Y135 HydrophobicContact CD1-CD2 3.96Å; F131-Y135 AromaticContact CD1-CE2 3.59Å; F131-Y135 HydrophobicContact CD1-CE2 3.59Å; F131-Y135 HydrophobicContact CE1-CE2 4.07Å; F131-Y135 VanDerWaalsContact O-CB 3.28Å; F131-Y135 WeakPolarHBondContact O-CB 3.26Å; F131-F139 HydrophobicContact CD1-CE2 4.34Å; F131-F139 AromaticContact CD1-CZ 3.84Å; F131-F139 HydrophobicContact CD1-CZ 3.84Å; F131-F139 HydrophobicContact CD2-CZ 4.28Å; F131-F139 AromaticContact CE1-CE2 3.72Å; F131-F139 HydrophobicContact CE1-CE2 3.72Å; F131-F139 AromaticContact CE1-CZ 3.48Å; F131-F139 HydrophobicContact CE1-CZ 3.48Å; F131-F139 VanDerWaalsContact CE1-CZ 3.48Å; F131-F139 HydrophobicContact CE2-CE1 4.42Å; F131-F139 AromaticContact CE2-CZ 3.97Å; F131-F139 HydrophobicContact CE2-CZ 3.97Å; F131-F139 HydrophobicContact CG-CZ 4.22Å; F131-F139 HydrophobicContact CZ-CE1 4.32Å; F131-F139 AromaticContact CZ-CE2 3.98Å; F131-F139 HydrophobicContact CZ-CE2 3.98Å; F131-F139 AromaticContact CZ-CZ 3.54Å; F131-F139 HydrophobicContact CZ-CZ 3.54Å; F131-D156 HydrophobicContact CE1-CB 4.43Å; F131-F176 HydrophobicContact CE2-CB 4.13Å; F131-F176 HydrophobicContact CE2-CD2 4.36Å; F131-F176 HydrophobicContact CZ-CB 4.07Å; F131-L180 HydrophobicContact CZ-CD1 4.04Å
132Q95.3Very high95.5Very high99 Ų9939.7 Ų39.746%0.46319%0.187SC..SBendtrans-97.6-40-176-67.96928.600111.6N84 P85 S130N84-Q132 PolarHBondContact OD1-NE2 3.41Å; P85-Q132 PolarHBondContact O-NE2 2.86Å; S130-Q132 VanDerWaalsContact C-N 3.35Å; S130-Q132 PolarHBondContact OG-N 2.8Å; S130-Q132 PolarHBondContact OG-OE1 3.26Å; S130-Q132 VanDerWaalsContact OG-OE1 3.13Å
133K94.7Very high95.8Very high153 Ų15337.2 Ų37.267%0.66518%0.177SC*.SBendtrans-106.1125.7-174.5-172.1-179.9179.6-176.20111S130 Y135S130-K133 PolarHBondContact OG-N 3.04Å; K133-Y135 PolarHBondContact O-N 3.13Å
134N94.9Very high95.9Very high90 Ų9036 Ų3648%0.48117%0.173SC..SBendtrans53.133178.4-62.9-25.1000113.4L40 A136L40-N134 HydrophobicContact CD1-CB 4.16Å; N134-A136 PolarHBondContact O-N 3.02Å
135Y97.9Very high95.8Very high51 Ų5136.8 Ų36.820%0.218%0.176CC..  trans-68.1126.7-178.5175-106.5000111.3L45 T79 F131 K133 F139 D156L45-Y135 HydrophobicContact CD1-CE1 4.41Å; L45-Y135 HydrophobicContact CD2-CD1 4.12Å; L45-Y135 HydrophobicContact CD2-CE1 3.58Å; T79-Y135 HydrophobicContact CG2-CE1 4.21Å; F131-Y135 AromaticContact CD1-CD2 3.96Å; F131-Y135 HydrophobicContact CD1-CD2 3.96Å; F131-Y135 AromaticContact CD1-CE2 3.59Å; F131-Y135 HydrophobicContact CD1-CE2 3.59Å; F131-Y135 HydrophobicContact CE1-CE2 4.07Å; F131-Y135 VanDerWaalsContact O-CB 3.28Å; F131-Y135 WeakPolarHBondContact O-CB 3.26Å; K133-Y135 PolarHBondContact O-N 3.13Å; Y135-F139 HydrophobicContact CE2-CE2 4.28Å; Y135-D156 WeakPolarHBondContact CE2-OD2 3.43Å; Y135-D156 VanDerWaalsContact CZ-OD2 3.3Å; Y135-D156 PolarHBondContact OH-OD2 3.16Å
136A97.8Very high95.6Very high3 Ų337.7 Ų37.73%0.02518%0.18CC..SBendtrans-136.620.7174.600000112.2R36 C39 L40 L45 F46 N134 I138R36-A136 HydrophobicContact CG-CB 4.35Å; C39-A136 HydrophobicContact CB-CB 3.7Å; L40-A136 HydrophobicContact CD2-CB 4.02Å; L40-A136 HydrophobicContact CG-CB 4.06Å; L45-A136 WeakPolarHBondContact CA-O 3.45Å; F46-A136 PolarHBondContact N-O 3.28Å; N134-A136 PolarHBondContact O-N 3.02Å; A136-I138 VanDerWaalsContact C-N 3.29Å; A136-I138 HydrophobicContact CB-CG2 4.01Å; A136-I138 PolarHBondContact O-N 3.08Å
137G98.1Very high95.3Very high0 Ų038.2 Ų38.20%019%0.187CC..SBendtrans63.731.3-178.600000114R77 D155 D156R77-G137 PolarHBondContact NH1-O 3.39Å; G137-D155 WeakPolarHBondContact O-CA 3.41Å; G137-D155 VanDerWaalsContact O-CB 3.32Å; G137-D155 WeakPolarHBondContact O-CB 3.29Å; G137-D156 PolarHBondContact O-N 3.45Å
138I98.6Very high95.3Very high8 Ų833.4 Ų33.44%0.04117%0.167CC..EExtended strand (participates in β ladder)trans-134.5137.3-175.4-171.4174.4000109.9F32 L35 R36 F46 A136 V153 I154F32-I138 HydrophobicContact CD2-CD1 4.22Å; F32-I138 HydrophobicContact CD2-CG1 4.04Å; F32-I138 HydrophobicContact CE2-CG1 4.17Å; F32-I138 HydrophobicContact CE2-CG2 4.1Å; L35-I138 HydrophobicContact CB-CD1 3.57Å; R36-I138 HydrophobicContact CB-CG2 3.84Å; R36-I138 HydrophobicContact CG-CG2 3.89Å; F46-I138 HydrophobicContact CB-CB 3.75Å; F46-I138 HydrophobicContact CB-CD1 4.37Å; F46-I138 HydrophobicContact CB-CG1 4.31Å; F46-I138 HydrophobicContact CD1-CB 3.89Å; F46-I138 HydrophobicContact CD1-CD1 3.82Å; F46-I138 HydrophobicContact CD1-CG1 3.6Å; F46-I138 HydrophobicContact CD2-CD1 4.21Å; F46-I138 HydrophobicContact CE1-CD1 4.12Å; F46-I138 HydrophobicContact CE1-CG1 4.1Å; F46-I138 HydrophobicContact CE2-CD1 4.48Å; F46-I138 HydrophobicContact CG-CB 4.02Å; F46-I138 HydrophobicContact CG-CD1 3.88Å; F46-I138 HydrophobicContact CG-CG1 4.01Å; F46-I138 HydrophobicContact CZ-CD1 4.44Å; A136-I138 VanDerWaalsContact C-N 3.29Å; A136-I138 HydrophobicContact CB-CG2 4.01Å; A136-I138 PolarHBondContact O-N 3.08Å; I138-V153 HydrophobicContact CD1-CG1 3.62Å; I138-V153 HydrophobicContact CG1-CG1 3.63Å; I138-I154 WeakPolarHBondContact CA-O 3.44Å
139F98.6Very high95.6Very high2 Ų230.3 Ų30.31%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-140.6163.8-179.3-68-92.9000109.4F87 Q129 F131 Y135 F141 V153 I154 D156 L180F87-F139 AromaticContact CD2-CD1 3.72Å; F87-F139 HydrophobicContact CD2-CD1 3.72Å; F87-F139 AromaticContact CD2-CE1 3.47Å; F87-F139 HydrophobicContact CD2-CE1 3.47Å; F87-F139 VanDerWaalsContact CD2-CE1 3.47Å; F87-F139 HydrophobicContact CD2-CZ 4.43Å; F87-F139 AromaticContact CE2-CD1 3.5Å; F87-F139 HydrophobicContact CE2-CD1 3.5Å; F87-F139 VanDerWaalsContact CE2-CD1 3.5Å; F87-F139 AromaticContact CE2-CE1 3.79Å; F87-F139 HydrophobicContact CE2-CE1 3.79Å; F87-F139 HydrophobicContact CE2-CG 4.43Å; F87-F139 HydrophobicContact CG-CE1 4.2Å; F87-F139 HydrophobicContact CZ-CD1 4.26Å; Q129-F139 HydrophobicContact CB-CD1 3.94Å; Q129-F139 HydrophobicContact CB-CE1 4.14Å; Q129-F139 HydrophobicContact CG-CD1 4.42Å; Q129-F139 VanDerWaalsContact OE1-CA 3.24Å; Q129-F139 VanDerWaalsContact OE1-CB 3.28Å; F131-F139 HydrophobicContact CD1-CE2 4.34Å; F131-F139 AromaticContact CD1-CZ 3.84Å; F131-F139 HydrophobicContact CD1-CZ 3.84Å; F131-F139 HydrophobicContact CD2-CZ 4.28Å; F131-F139 AromaticContact CE1-CE2 3.72Å; F131-F139 HydrophobicContact CE1-CE2 3.72Å; F131-F139 AromaticContact CE1-CZ 3.48Å; F131-F139 HydrophobicContact CE1-CZ 3.48Å; F131-F139 VanDerWaalsContact CE1-CZ 3.48Å; F131-F139 HydrophobicContact CE2-CE1 4.42Å; F131-F139 AromaticContact CE2-CZ 3.97Å; F131-F139 HydrophobicContact CE2-CZ 3.97Å; F131-F139 HydrophobicContact CG-CZ 4.22Å; F131-F139 HydrophobicContact CZ-CE1 4.32Å; F131-F139 AromaticContact CZ-CE2 3.98Å; F131-F139 HydrophobicContact CZ-CE2 3.98Å; F131-F139 AromaticContact CZ-CZ 3.54Å; F131-F139 HydrophobicContact CZ-CZ 3.54Å; Y135-F139 HydrophobicContact CE2-CE2 4.28Å; F139-F141 HydrophobicContact CB-CE2 4.21Å; F139-V153 WeakPolarHBondContact O-CA 3.39Å; F139-I154 HydrophobicContact CB-CG1 4.31Å; F139-I154 PolarHBondContact N-O 2.94Å; F139-I154 PolarHBondContact O-N 3.47Å; F139-D156 HydrophobicContact CD2-CB 3.83Å; F139-D156 HydrophobicContact CE2-CB 3.66Å; F139-L180 HydrophobicContact CD1-CD1 4.1Å; F139-L180 HydrophobicContact CD2-CD1 3.86Å; F139-L180 HydrophobicContact CE1-CD1 4.29Å; F139-L180 HydrophobicContact CE2-CD1 4.07Å; F139-L180 HydrophobicContact CG-CD1 3.89Å; F139-L180 HydrophobicContact CZ-CD1 4.28Å
140H98.4Very high95.6Very high15 Ų1530.2 Ų30.27%0.06915%0.15CC..EExtended strand (participates in β ladder)trans-144.7154.3175.878.5129.3000112.7F32 P126 D128 Q129 D151 V152 V153F32-H140 HydrophobicContact CB-CB 4.06Å; F32-H140 AromaticContact CD1-CD2 3.63Å; F32-H140 AromaticContact CD1-CG 3.99Å; F32-H140 AromaticContact CD1-NE2 3.74Å; F32-H140 HydrophobicContact CD2-CB 3.86Å; F32-H140 AromaticContact CD2-CD2 3.93Å; F32-H140 AromaticContact CD2-CG 3.97Å; F32-H140 AromaticContact CE1-CD2 3.68Å; F32-H140 AromaticContact CE1-NE2 3.81Å; F32-H140 HydrophobicContact CE2-CB 4.49Å; F32-H140 AromaticContact CE2-CD2 3.99Å; F32-H140 HydrophobicContact CG-CB 3.97Å; F32-H140 AromaticContact CG-CD2 3.74Å; F32-H140 AromaticContact CG-CG 3.71Å; F32-H140 AromaticContact CZ-CD2 3.86Å; P126-H140 WeakPolarHBondContact CB-NE2 3.27Å; D128-H140 IonicContact OD1-NE2 3.44Å; Q129-H140 PolarHBondContact NE2-O 2.91Å; Q129-H140 PolarHBondContact OE1-O 3.34Å; H140-D151 IonicContact CE1-OD1 2.7Å; H140-D151 IonicContact CG-OD1 4Å; H140-D151 IonicContact CG-OD2 2.67Å; H140-D151 IonicContact ND1-OD1 3.45Å; H140-D151 PolarHBondContact ND1-OD1 3.35Å; H140-D151 IonicContact ND1-OD2 2.69Å; H140-D151 PolarHBondContact ND1-OD2 3.32Å; H140-V152 VanDerWaalsContact CA-O 3.25Å; H140-V152 WeakPolarHBondContact CA-O 3.47Å; H140-V153 HydrophobicContact CB-CG2 4.3Å
141F98.3Very high95.8Very high0 Ų029.2 Ų29.20%014%0.142CC..EExtended strand (participates in β ladder)trans-142.3153.1-177.5-61.6-88.2000109.9F87 V124 V125 F139 F143 V152 I154 L180 L181 A184F87-F141 HydrophobicContact CE2-CZ 4.13Å; F87-F141 HydrophobicContact CZ-CE1 4.11Å; F87-F141 HydrophobicContact CZ-CZ 4.04Å; V124-F141 WeakPolarHBondContact O-CA 3.32Å; V125-F141 HydrophobicContact CB-CD1 4.43Å; V125-F141 HydrophobicContact CB-CE1 4.44Å; V125-F141 HydrophobicContact CG1-CD1 4.41Å; V125-F141 HydrophobicContact CG1-CE1 3.97Å; V125-F141 HydrophobicContact CG2-CD1 4.04Å; V125-F141 HydrophobicContact CG2-CE1 4.1Å; F139-F141 HydrophobicContact CB-CE2 4.21Å; F141-F143 HydrophobicContact CB-CE2 3.78Å; F141-F143 HydrophobicContact CB-CZ 3.81Å; F141-V152 PolarHBondContact N-O 3.45Å; F141-V152 PolarHBondContact O-N 3.19Å; F141-I154 HydrophobicContact CD2-CD1 4.41Å; F141-I154 HydrophobicContact CD2-CG1 4.45Å; F141-I154 HydrophobicContact CE2-CD1 3.92Å; F141-I154 HydrophobicContact CE2-CG1 4.22Å; F141-L180 HydrophobicContact CE2-CB 3.83Å; F141-L180 HydrophobicContact CZ-CB 3.6Å; F141-L181 HydrophobicContact CB-CD1 4.11Å; F141-L181 HydrophobicContact CD1-CB 4.09Å; F141-L181 HydrophobicContact CD1-CD1 3.39Å; F141-L181 HydrophobicContact CD1-CG 4.36Å; F141-L181 HydrophobicContact CE1-CB 3.8Å; F141-L181 HydrophobicContact CE1-CD1 3.98Å; F141-L181 HydrophobicContact CG-CD1 3.89Å; F141-L181 HydrophobicContact CZ-CB 4.28Å; F141-A184 HydrophobicContact CB-CB 4.07Å; F141-A184 HydrophobicContact CD2-CB 3.44Å; F141-A184 VanDerWaalsContact CD2-CB 3.44Å; F141-A184 HydrophobicContact CE2-CB 4.21Å; F141-A184 HydrophobicContact CG-CB 4Å
142Q97.3Very high95.8Very high28 Ų2828.6 Ų28.613%0.13114%0.139CC..EExtended strand (participates in β ladder)trans-116.5125.5-178.3-62.2-173.2-11.800111R123 V124 W149 V150 D151R123-Q142 WeakPolarHBondContact O-CB 3.33Å; R123-Q142 PolarHBondContact O-OE1 3.27Å; V124-Q142 WeakPolarHBondContact CA-O 3.35Å; V124-Q142 WeakPolarHBondContact CG1-O 3.44Å; V124-Q142 PolarHBondContact O-N 3.26Å; Q142-W149 HydrophobicContact CB-CE3 4.11Å; Q142-W149 HydrophobicContact CB-CZ3 4.4Å; Q142-V150 WeakPolarHBondContact CA-O 3.27Å; Q142-D151 HydrophobicContact CG-CB 4.41Å; Q142-D151 VanDerWaalsContact CG-OD1 3.24Å; Q142-D151 WeakPolarHBondContact CG-OD1 3.3Å; Q142-D151 PolarHBondContact NE2-OD1 3Å
143F97.1Very high96Very high0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-122.6137.8178.3-54.6-76.1000109.7V124 F141 V150 V152 L181 A184 Y185 L188 D206 F207V124-F143 HydrophobicContact CG1-CD1 4.35Å; V124-F143 HydrophobicContact CG1-CE1 4.14Å; F141-F143 HydrophobicContact CB-CE2 3.78Å; F141-F143 HydrophobicContact CB-CZ 3.81Å; F143-V150 PolarHBondContact N-O 3.32Å; F143-V150 PolarHBondContact O-N 3.47Å; F143-V152 HydrophobicContact CD2-CB 4.26Å; F143-V152 HydrophobicContact CD2-CG2 3.75Å; F143-V152 HydrophobicContact CE2-CB 4.12Å; F143-V152 HydrophobicContact CE2-CG2 4.09Å; F143-L181 HydrophobicContact CE1-CD1 3.58Å; F143-L181 HydrophobicContact CZ-CD1 3.62Å; F143-A184 HydrophobicContact CE2-CB 3.82Å; F143-A184 HydrophobicContact CZ-CB 3.97Å; F143-Y185 AromaticContact CD1-CD2 3.72Å; F143-Y185 HydrophobicContact CD1-CD2 3.72Å; F143-Y185 HydrophobicContact CD1-CE2 4.28Å; F143-Y185 AromaticContact CE1-CD2 3.66Å; F143-Y185 HydrophobicContact CE1-CD2 3.66Å; F143-Y185 HydrophobicContact CE1-CG 4.37Å; F143-Y185 HydrophobicContact CG-CD2 4.21Å; F143-Y185 HydrophobicContact CZ-CD2 4.09Å; F143-L188 HydrophobicContact CB-CD2 3.82Å; F143-L188 HydrophobicContact CD2-CD2 3.8Å; F143-L188 HydrophobicContact CG-CD2 3.93Å; F143-D206 CarbonylContact C-O 3.5Å; F143-D206 WeakPolarHBondContact CA-O 3.1Å; F143-F207 HydrophobicContact CD1-CD1 4.09Å; F143-F207 AromaticContact CD1-CE1 3.95Å; F143-F207 HydrophobicContact CD1-CE1 3.95Å; F143-F207 HydrophobicContact CE1-CD1 4.33Å; F143-F207 AromaticContact CE1-CE1 3.83Å; F143-F207 HydrophobicContact CE1-CE1 3.83Å
144W94.9Very high96.2Very high12 Ų1216.6 Ų16.65%0.0459%0.086CC..EExtended strand (participates in β ladder)trans-73.5131165.5-17593.5000109G147 E148 W149 D206 G209 M414W144-G147 VanDerWaalsContact CE2-N 3.26Å; W144-G147 VanDerWaalsContact CZ2-CA 3.4Å; W144-E148 CarbonylContact C-O 3.46Å; W144-W149 HydrophobicContact CB-CD2 4.27Å; W144-W149 HydrophobicContact CB-CE3 4.33Å; W144-W149 HydrophobicContact CB-CH2 4.39Å; W144-W149 HydrophobicContact CB-CZ2 4.34Å; W144-W149 HydrophobicContact CB-CZ3 4.38Å; W144-W149 AromaticContact CD1-NE1 3.98Å; W144-D206 PolarHBondContact N-O 3.02Å; W144-D206 WeakPolarHBondContact O-CA 3.27Å; W144-G209 VanDerWaalsContact CD1-CA 3.45Å; W144-G209 VanDerWaalsContact CD2-CA 3.49Å; W144-M414 HydrophobicContact CH2-CE 4.03Å; W144-M414 HydrophobicContact CH2-SD 4.25Å; W144-M414 HydrophobicContact CZ3-CE 3.8Å; W144-M414 HydrophobicContact CZ3-SD 3.89Å
145Q93.9Very high96.4Very high16 Ų1612.4 Ų12.48%0.0756%0.063CC..EExtended strand (participates in β ladder)trans-135.7102.4-179.8-69.3-65.4-71.700109.2G147 E148 V150 L188 D206Q145-G147 PolarHBondContact O-N 2.94Å; Q145-G147 VanDerWaalsContact O-N 3.11Å; Q145-E148 PolarHBondContact N-O 3.29Å; Q145-E148 PolarHBondContact O-N 2.94Å; Q145-E148 VanDerWaalsContact O-N 3.14Å; Q145-V150 HydrophobicContact CB-CG2 3.88Å; Q145-V150 HydrophobicContact CG-CB 4.41Å; Q145-V150 HydrophobicContact CG-CG2 4.01Å; Q145-L188 HydrophobicContact CG-CD1 4.25Å; Q145-L188 HydrophobicContact CG-CD2 3.87Å; Q145-L188 HydrophobicContact CG-CG 4.47Å; Q145-D206 PolarHBondContact NE2-OD2 3.26Å
146Y90.9Very high96.4Very high19 Ų1910 Ų108%0.0755%0.053CC..THydrogen-bonded Turntrans55.532.2168.3-42.9-67000115.3M414 K416 N417Y146-M414 HydrophobicContact CD1-CG 3.99Å; Y146-M414 HydrophobicContact CD1-SD 3.46Å; Y146-M414 WeakPolarHBondContact CD1-SD 3.43Å; Y146-M414 HydrophobicContact CE1-CG 4.16Å; Y146-M414 HydrophobicContact CE1-SD 3.81Å; Y146-K416 HydrophobicContact CD1-CB 4.12Å; Y146-K416 HydrophobicContact CD1-CD 4.46Å; Y146-K416 HydrophobicContact CD1-CG 3.72Å; Y146-K416 HydrophobicContact CD2-CB 4.06Å; Y146-K416 HydrophobicContact CD2-CD 4.2Å; Y146-K416 HydrophobicContact CD2-CG 4.08Å; Y146-K416 HydrophobicContact CE1-CB 4.15Å; Y146-K416 HydrophobicContact CE1-CG 4.24Å; Y146-K416 HydrophobicContact CE2-CB 4.05Å; Y146-K416 HydrophobicContact CG-CB 4.1Å; Y146-K416 HydrophobicContact CG-CD 3.91Å; Y146-K416 HydrophobicContact CG-CG 3.65Å; Y146-N417 VanDerWaalsContact CZ-N 3.33Å; Y146-N417 PolarHBondContact OH-N 3.12Å
147G88Confident96.4Very high25 Ų2511.9 Ų11.926%0.2586%0.06SC..THydrogen-bonded Turntrans112.9-6.8179.100000114.7W144 Q145W144-G147 VanDerWaalsContact CE2-N 3.26Å; W144-G147 VanDerWaalsContact CZ2-CA 3.4Å; Q145-G147 PolarHBondContact O-N 2.94Å; Q145-G147 VanDerWaalsContact O-N 3.11Å
148E91Very high96.5Very high38 Ų3812 Ų1218%0.1786%0.061CC..EExtended strand (participates in β ladder)trans-129.2139.2-176.9-61.7172.2168.700110.6K10 G19 W144 Q145K10-E148 WeakPolarHBondContact CE-OE1 3.21Å; K10-E148 WeakPolarHBondContact CE-OE2 3.41Å; K10-E148 IonicContact NZ-OE1 2.67Å; K10-E148 IonicContact NZ-OE2 3.49Å; K10-E148 PolarHBondContact NZ-OE2 2.88Å; G19-E148 CarbonylContact O-C 3.58Å; G19-E148 WeakPolarHBondContact O-CA 3.45Å; W144-E148 CarbonylContact C-O 3.46Å; Q145-E148 PolarHBondContact N-O 3.29Å; Q145-E148 PolarHBondContact O-N 2.94Å; Q145-E148 VanDerWaalsContact O-N 3.14Å
149W94.5Very high96.4Very high15 Ų1511.8 Ų11.86%0.0576%0.06CC..EExtended strand (participates in β ladder)trans-76.5135.6166.2-73.892.6000110.6G19 A24 V25 R123 V124 Q142 W144 F207G19-W149 PolarHBondContact O-N 3.05Å; A24-W149 CarbonylContact C-O 3.52Å; A24-W149 WeakPolarHBondContact CA-O 3.3Å; A24-W149 HydrophobicContact CB-CB 4.06Å; V25-W149 PolarHBondContact N-O 3.2Å; R123-W149 HydrophobicContact CG-CH2 3.53Å; R123-W149 HydrophobicContact CG-CZ2 4.01Å; R123-W149 HydrophobicContact CG-CZ3 3.87Å; R123-W149 VanDerWaalsContact NH2-CD2 3.27Å; V124-W149 HydrophobicContact CG2-CZ3 4.45Å; Q142-W149 HydrophobicContact CB-CE3 4.11Å; Q142-W149 HydrophobicContact CB-CZ3 4.4Å; W144-W149 HydrophobicContact CB-CD2 4.27Å; W144-W149 HydrophobicContact CB-CE3 4.33Å; W144-W149 HydrophobicContact CB-CH2 4.39Å; W144-W149 HydrophobicContact CB-CZ2 4.34Å; W144-W149 HydrophobicContact CB-CZ3 4.38Å; W144-W149 AromaticContact CD1-NE1 3.98Å; W149-F207 WeakPolarHBondContact CH2-O 3.42Å
150V96.5Very high96.3Very high12 Ų1211.8 Ų11.87%0.0736%0.06CC..EExtended strand (participates in β ladder)trans-126.8125.7-176.6-178.80000109.1V25 Y27 Q142 F143 Q145 V152V25-V150 HydrophobicContact CB-CG2 4.31Å; V25-V150 CarbonylContact O-C 3.59Å; V25-V150 VanDerWaalsContact O-CA 3.32Å; V25-V150 WeakPolarHBondContact O-CA 3.42Å; Y27-V150 HydrophobicContact CD2-CG1 3.9Å; Y27-V150 HydrophobicContact CG-CG1 4.19Å; Q142-V150 WeakPolarHBondContact CA-O 3.27Å; F143-V150 PolarHBondContact N-O 3.32Å; F143-V150 PolarHBondContact O-N 3.47Å; Q145-V150 HydrophobicContact CB-CG2 3.88Å; Q145-V150 HydrophobicContact CG-CB 4.41Å; Q145-V150 HydrophobicContact CG-CG2 4.01Å; V150-V152 HydrophobicContact CG1-CG2 4.16Å
151D97.8Very high96.1Very high15 Ų1514.9 Ų14.98%0.087%0.073CC..EExtended strand (participates in β ladder)trans-90.5119.2175.2-164.879000109.6A24 V25 Y27 H140 Q142A24-D151 HydrophobicContact CB-CB 4.07Å; V25-D151 PolarHBondContact O-N 3Å; Y27-D151 WeakPolarHBondContact CB-O 3Å; Y27-D151 PolarHBondContact N-O 3.02Å; H140-D151 IonicContact CE1-OD1 2.7Å; H140-D151 IonicContact CG-OD1 4Å; H140-D151 IonicContact CG-OD2 2.67Å; H140-D151 IonicContact ND1-OD1 3.45Å; H140-D151 PolarHBondContact ND1-OD1 3.35Å; H140-D151 IonicContact ND1-OD2 2.69Å; H140-D151 PolarHBondContact ND1-OD2 3.32Å; Q142-D151 HydrophobicContact CG-CB 4.41Å; Q142-D151 VanDerWaalsContact CG-OD1 3.24Å; Q142-D151 WeakPolarHBondContact CG-OD1 3.3Å; Q142-D151 PolarHBondContact NE2-OD1 3Å
152V98.5Very high95.8Very high0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-112.8112.5-175.4-1780000109.4Y27 H140 F141 F143 V150 I154 A184 K187 L188Y27-V152 HydrophobicContact CD1-CG1 4.24Å; Y27-V152 HydrophobicContact CD1-CG2 4.34Å; Y27-V152 HydrophobicContact CG-CG2 4.15Å; H140-V152 VanDerWaalsContact CA-O 3.25Å; H140-V152 WeakPolarHBondContact CA-O 3.47Å; F141-V152 PolarHBondContact N-O 3.45Å; F141-V152 PolarHBondContact O-N 3.19Å; F143-V152 HydrophobicContact CD2-CB 4.26Å; F143-V152 HydrophobicContact CD2-CG2 3.75Å; F143-V152 HydrophobicContact CE2-CB 4.12Å; F143-V152 HydrophobicContact CE2-CG2 4.09Å; V150-V152 HydrophobicContact CG1-CG2 4.16Å; V152-I154 HydrophobicContact CG1-CG2 4.43Å; V152-A184 HydrophobicContact CG1-CB 4.13Å; V152-K187 HydrophobicContact CG1-CD 4Å; V152-K187 HydrophobicContact CG1-CG 4.37Å; V152-L188 HydrophobicContact CG2-CD1 4.12Å
153V98.6Very high95.4Very high0 Ų022.9 Ų22.90%013%0.125CC..EExtended strand (participates in β ladder)trans-86.2138.8175.2-178.10000110.1Q30 F32 L35 F46 I138 F139 H140 K187Q30-V153 HydrophobicContact CB-CB 4.22Å; Q30-V153 HydrophobicContact CB-CG2 4.17Å; F32-V153 HydrophobicContact CB-CG2 3.93Å; L35-V153 HydrophobicContact CD1-CG1 4.28Å; F46-V153 HydrophobicContact CE1-CG1 4.03Å; F46-V153 HydrophobicContact CZ-CG1 4.39Å; I138-V153 HydrophobicContact CD1-CG1 3.62Å; I138-V153 HydrophobicContact CG1-CG1 3.63Å; F139-V153 WeakPolarHBondContact O-CA 3.39Å; H140-V153 HydrophobicContact CB-CG2 4.3Å; V153-K187 PolarHBondContact O-NZ 2.94Å
154I98.8Very high95.2Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-137.9159.4171.857.5162.2000111I138 F139 F141 V152 L180 K183 A184 K187I138-I154 WeakPolarHBondContact CA-O 3.44Å; F139-I154 HydrophobicContact CB-CG1 4.31Å; F139-I154 PolarHBondContact N-O 2.94Å; F139-I154 PolarHBondContact O-N 3.47Å; F141-I154 HydrophobicContact CD2-CD1 4.41Å; F141-I154 HydrophobicContact CD2-CG1 4.45Å; F141-I154 HydrophobicContact CE2-CD1 3.92Å; F141-I154 HydrophobicContact CE2-CG1 4.22Å; V152-I154 HydrophobicContact CG1-CG2 4.43Å; I154-L180 HydrophobicContact CD1-CB 4.07Å; I154-L180 HydrophobicContact CD1-CD2 3.99Å; I154-L180 WeakPolarHBondContact CD1-O 3.37Å; I154-K183 HydrophobicContact CD1-CB 3.96Å; I154-K183 HydrophobicContact CD1-CD 4.02Å; I154-K183 HydrophobicContact CD1-CG 4.08Å; I154-A184 HydrophobicContact CD1-CB 4.15Å; I154-A184 HydrophobicContact CG1-CB 4.41Å; I154-A184 HydrophobicContact CG2-CB 3.96Å; I154-K187 HydrophobicContact CG2-CB 4.43Å; I154-K187 HydrophobicContact CG2-CD 3.8Å
155D98.6Very high95.2Very high1 Ų131.2 Ų31.21%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-83.5169.6157.667.160.3000111.9F46 D48 G137 R157 K183F46-D155 HydrophobicContact CD1-CB 3.74Å; F46-D155 HydrophobicContact CE1-CB 4.41Å; F46-D155 WeakPolarHBondContact O-CB 3.29Å; D48-D155 HydrophobicContact CB-CB 4.42Å; D48-D155 VanDerWaalsContact CB-OD2 3.24Å; D48-D155 WeakPolarHBondContact CB-OD2 3.5Å; D48-D155 PolarHBondContact N-OD2 3.47Å; G137-D155 WeakPolarHBondContact O-CA 3.41Å; G137-D155 VanDerWaalsContact O-CB 3.32Å; G137-D155 WeakPolarHBondContact O-CB 3.29Å; D155-R157 VanDerWaalsContact CG-NE 3.27Å; D155-R157 VanDerWaalsContact OD1-CB 3.25Å; D155-R157 WeakPolarHBondContact OD1-CB 3.29Å; D155-R157 WeakPolarHBondContact OD1-CG 3.4Å; D155-R157 IonicContact OD1-CZ 2.73Å; D155-R157 PolarHBondContact OD1-N 2.97Å; D155-R157 IonicContact OD1-NE 2.7Å; D155-R157 PolarHBondContact OD1-NE 3.05Å; D155-R157 VanDerWaalsContact OD1-NE 3.07Å; D155-R157 IonicContact OD1-NH2 3.46Å; D155-R157 IonicContact OD2-CZ 2.77Å; D155-R157 IonicContact OD2-NE 2.74Å; D155-R157 PolarHBondContact OD2-NE 2.9Å; D155-R157 IonicContact OD2-NH2 2.66Å; D155-R157 PolarHBondContact OD2-NH2 3.4Å; D155-K183 PolarHBondContact O-NZ 3.41Å; D155-K183 IonicContact OD1-NZ 3.37Å; D155-K183 PolarHBondContact OD1-NZ 3.32Å
156D98.4Very high95.2Very high0 Ų032 Ų320%017%0.172CC..SBendtrans-92.714.5-177.968.4-2.6000115.4R77 P78 F131 Y135 G137 F139 L158 L180R77-D156 WeakPolarHBondContact CD-OD1 3.32Å; R77-D156 WeakPolarHBondContact CG-OD1 2.89Å; R77-D156 IonicContact CZ-OD1 2.74Å; R77-D156 IonicContact NE-OD1 3.13Å; R77-D156 IonicContact NH1-OD1 3.4Å; R77-D156 PolarHBondContact NH1-OD1 3.31Å; P78-D156 WeakPolarHBondContact CD-O 3.31Å; P78-D156 HydrophobicContact CG-CB 4.46Å; F131-D156 HydrophobicContact CE1-CB 4.43Å; Y135-D156 WeakPolarHBondContact CE2-OD2 3.43Å; Y135-D156 VanDerWaalsContact CZ-OD2 3.3Å; Y135-D156 PolarHBondContact OH-OD2 3.16Å; G137-D156 PolarHBondContact O-N 3.45Å; F139-D156 HydrophobicContact CD2-CB 3.83Å; F139-D156 HydrophobicContact CE2-CB 3.66Å; D156-L158 PolarHBondContact O-N 3.41Å; D156-L180 HydrophobicContact CB-CD2 3.87Å
157R98.5Very high95.4Very high43 Ų4331.4 Ų31.416%0.16217%0.17CC..  trans-71.7121.8174.6-60.9174.3-71.2179.30.5109.5A53 W75 K76 R77 D155 K183A53-R157 HydrophobicContact CB-CB 4.47Å; W75-R157 HydrophobicContact CB-CB 4.32Å; W75-R157 HydrophobicContact CE3-CB 4.06Å; W75-R157 VanDerWaalsContact CZ3-O 3.31Å; W75-R157 WeakPolarHBondContact CZ3-O 3.41Å; K76-R157 CarbonylContact O-C 3.51Å; K76-R157 WeakPolarHBondContact O-CA 3.25Å; R77-R157 HydrophobicContact CG-CG 3.88Å; D155-R157 VanDerWaalsContact CG-NE 3.27Å; D155-R157 VanDerWaalsContact OD1-CB 3.25Å; D155-R157 WeakPolarHBondContact OD1-CB 3.29Å; D155-R157 WeakPolarHBondContact OD1-CG 3.4Å; D155-R157 IonicContact OD1-CZ 2.73Å; D155-R157 PolarHBondContact OD1-N 2.97Å; D155-R157 IonicContact OD1-NE 2.7Å; D155-R157 PolarHBondContact OD1-NE 3.05Å; D155-R157 VanDerWaalsContact OD1-NE 3.07Å; D155-R157 IonicContact OD1-NH2 3.46Å; D155-R157 IonicContact OD2-CZ 2.77Å; D155-R157 IonicContact OD2-NE 2.74Å; D155-R157 PolarHBondContact OD2-NE 2.9Å; D155-R157 IonicContact OD2-NH2 2.66Å; D155-R157 PolarHBondContact OD2-NH2 3.4Å; R157-K183 WeakPolarHBondContact O-CD 3.42Å; R157-K183 WeakPolarHBondContact O-CE 3.3Å; R157-K183 PolarHBondContact O-NZ 2.85Å
158L98.4Very high95.7Very high3 Ų330.3 Ų30.32%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-113.5144.2-178.9-67.7167000111.1W75 K76 P78 D156 T160 L165 F176 A179 L180 K183W75-L158 WeakPolarHBondContact CA-O 3.49Å; K76-L158 PolarHBondContact N-O 3.49Å; K76-L158 PolarHBondContact O-N 3.28Å; P78-L158 HydrophobicContact CG-CD1 4.3Å; D156-L158 PolarHBondContact O-N 3.41Å; L158-T160 PolarHBondContact O-N 3.06Å; L158-L165 HydrophobicContact CB-CD2 3.5Å; L158-L165 HydrophobicContact CD1-CD2 3.71Å; L158-L165 HydrophobicContact CG-CD2 4.2Å; L158-F176 HydrophobicContact CD1-CD1 4.01Å; L158-A179 HydrophobicContact CD1-CB 3.87Å; L158-A179 HydrophobicContact CD2-CB 4.17Å; L158-L180 HydrophobicContact CD1-CD2 4.44Å; L158-L180 HydrophobicContact CD2-CD2 4.15Å; L158-L180 HydrophobicContact CG-CD2 4.35Å; L158-K183 HydrophobicContact CD2-CB 4.37Å; L158-K183 HydrophobicContact CD2-CD 4.2Å
159P97.2Very high95.8Very high3 Ų331.6 Ų31.62%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-64.6123.8174-23.236.2000111.9I73 W75 V166 F167 Y192I73-P159 HydrophobicContact CG2-CB 3.87Å; W75-P159 HydrophobicContact CD2-CG 4.24Å; W75-P159 HydrophobicContact CE3-CG 4.09Å; W75-P159 HydrophobicContact CH2-CG 3.76Å; W75-P159 HydrophobicContact CZ2-CG 3.9Å; W75-P159 HydrophobicContact CZ3-CG 3.84Å; P159-V166 PolarHBondContact O-N 2.76Å; P159-V166 VanDerWaalsContact O-N 3.11Å; P159-F167 HydrophobicContact CB-CD2 4.06Å; P159-F167 HydrophobicContact CB-CE2 3.91Å; P159-F167 HydrophobicContact CG-CD2 3.89Å; P159-F167 HydrophobicContact CG-CE2 3.76Å; P159-Y192 HydrophobicContact CG-CE2 3.87Å
160T96.4Very high95.6Very high2 Ų231.2 Ų31.21%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-128150.8179690000112.2I73 I74 K76 L81 L158 Q164 L165I73-T160 CarbonylContact C-O 3.6Å; I73-T160 VanDerWaalsContact CA-O 3.31Å; I73-T160 WeakPolarHBondContact CA-O 3.36Å; I74-T160 PolarHBondContact N-O 3.39Å; I74-T160 WeakPolarHBondContact O-CA 3.28Å; I74-T160 WeakPolarHBondContact O-CB 3.09Å; I74-T160 PolarHBondContact O-N 3.48Å; I74-T160 PolarHBondContact O-OG1 3.39Å; K76-T160 HydrophobicContact CB-CG2 4.06Å; L81-T160 HydrophobicContact CD1-CG2 4.03Å; L81-T160 HydrophobicContact CD2-CG2 4.05Å; L158-T160 PolarHBondContact O-N 3.06Å; T160-Q164 CarbonylContact C-O 3.57Å; T160-Q164 WeakPolarHBondContact CA-O 3.42Å; T160-Q164 VanDerWaalsContact CB-O 3.23Å; T160-Q164 WeakPolarHBondContact CB-O 3.32Å; T160-L165 HydrophobicContact CG2-CD2 4.11Å
161K94.1Very high95Very high81 Ų8137.3 Ų37.335%0.35219%0.191SC..EExtended strand (participates in β ladder)trans-133.4128.6170.6-170.4167-178.4162.50107.8Q71 G163 Q164 V166Q71-K161 WeakPolarHBondContact O-CE 3.24Å; Q71-K161 PolarHBondContact O-NZ 3.33Å; K161-G163 PolarHBondContact O-N 2.77Å; K161-G163 VanDerWaalsContact O-N 3.12Å; K161-Q164 PolarHBondContact N-O 2.96Å; K161-Q164 PolarHBondContact O-N 3.43Å; K161-V166 HydrophobicContact CB-CG2 3.68Å
162N92Very high94.3Very high158 Ų15842.5 Ų42.585%0.84521%0.214SC*.THydrogen-bonded Turntrans53.730-174.9-55.3-30.7000114.3Q164N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 PolarHBondContact O-N 3.12Å
163G89.8Confident93.5Very high37 Ų3744.8 Ų44.838%0.38124%0.239SC..THydrogen-bonded Turntrans80.93.5-179.900000115.4K161K161-G163 PolarHBondContact O-N 2.77Å; K161-G163 VanDerWaalsContact O-N 3.12Å
164Q93.1Very high93.2Very high150 Ų15046.2 Ų46.270%0.70125%0.248SC*.EExtended strand (participates in β ladder)trans-107.6149.8173.4-67.4179.4-26.300110.7T160 K161 N162T160-Q164 CarbonylContact C-O 3.57Å; T160-Q164 WeakPolarHBondContact CA-O 3.42Å; T160-Q164 VanDerWaalsContact CB-O 3.23Å; T160-Q164 WeakPolarHBondContact CB-O 3.32Å; K161-Q164 PolarHBondContact N-O 2.96Å; K161-Q164 PolarHBondContact O-N 3.43Å; N162-Q164 VanDerWaalsContact C-N 3.31Å; N162-Q164 PolarHBondContact O-N 3.12Å
165L95.1Very high93Very high37 Ų3746.4 Ų46.419%0.19425%0.249CC..EExtended strand (participates in β ladder)trans-63.1137.5173.3-68.8172000109.8L81 L158 T160 H169 F176 A179L81-L165 HydrophobicContact CD1-CD2 4.12Å; L158-L165 HydrophobicContact CB-CD2 3.5Å; L158-L165 HydrophobicContact CD1-CD2 3.71Å; L158-L165 HydrophobicContact CG-CD2 4.2Å; T160-L165 HydrophobicContact CG2-CD2 4.11Å; L165-H169 HydrophobicContact CB-CB 4.11Å; L165-H169 HydrophobicContact CD1-CB 3.61Å; L165-H169 HydrophobicContact CG-CB 4.47Å; L165-F176 HydrophobicContact CD1-CD1 4.3Å; L165-F176 HydrophobicContact CD1-CE1 4.16Å; L165-A179 HydrophobicContact CD1-CB 4.31Å
166V94.1Very high92.9Very high32 Ų3246.6 Ų46.619%0.19425%0.25CC..SBendtrans-86.9-27-179.2179.30000111.9I73 G100 G101 P159 K161I73-V166 HydrophobicContact CG1-CG2 4.39Å; G100-V166 CarbonylContact C-O 3.56Å; G100-V166 WeakPolarHBondContact CA-O 3.48Å; G101-V166 PolarHBondContact N-O 3.24Å; P159-V166 PolarHBondContact O-N 2.76Å; P159-V166 VanDerWaalsContact O-N 3.11Å; K161-V166 HydrophobicContact CB-CG2 3.68Å
167F95Very high92.8Very high8 Ų846.6 Ų46.64%0.03525%0.25CC..SBendtrans-112-149.8-176.1-57.2-52.4000110.6V58 L63 L102 P159 H169 E182 Y192V58-F167 HydrophobicContact CG1-CE2 4.25Å; V58-F167 HydrophobicContact CG1-CZ 3.85Å; L63-F167 HydrophobicContact CD1-CE1 4.41Å; L63-F167 HydrophobicContact CD1-CZ 4.43Å; L102-F167 HydrophobicContact CB-CD1 3.63Å; L102-F167 HydrophobicContact CB-CE1 3.84Å; L102-F167 HydrophobicContact CD2-CD1 4.22Å; L102-F167 HydrophobicContact CD2-CE1 4.29Å; L102-F167 HydrophobicContact CG-CE1 4.46Å; P159-F167 HydrophobicContact CB-CD2 4.06Å; P159-F167 HydrophobicContact CB-CE2 3.91Å; P159-F167 HydrophobicContact CG-CD2 3.89Å; P159-F167 HydrophobicContact CG-CE2 3.76Å; F167-H169 PolarHBondContact O-N 3.06Å; F167-H169 PolarHBondContact O-ND1 3.1Å; F167-H169 VanDerWaalsContact O-ND1 3.13Å; F167-E182 WeakPolarHBondContact CB-OE2 3.47Å; F167-Y192 HydrophobicContact CB-CE1 4.28Å; F167-Y192 AromaticContact CD2-CD1 3.41Å; F167-Y192 HydrophobicContact CD2-CD1 3.41Å; F167-Y192 VanDerWaalsContact CD2-CD1 3.41Å; F167-Y192 HydrophobicContact CD2-CD2 4.26Å; F167-Y192 AromaticContact CD2-CE1 3.39Å; F167-Y192 HydrophobicContact CD2-CE1 3.39Å; F167-Y192 HydrophobicContact CD2-CE2 4.25Å; F167-Y192 AromaticContact CD2-CG 3.85Å; F167-Y192 HydrophobicContact CD2-CG 3.85Å; F167-Y192 AromaticContact CD2-CZ 3.82Å; F167-Y192 AromaticContact CE2-CD1 3.55Å; F167-Y192 HydrophobicContact CE2-CD1 3.55Å; F167-Y192 AromaticContact CE2-CD2 3.79Å; F167-Y192 HydrophobicContact CE2-CD2 3.79Å; F167-Y192 AromaticContact CE2-CE1 3.92Å; F167-Y192 HydrophobicContact CE2-CE1 3.92Å; F167-Y192 HydrophobicContact CE2-CE2 4.14Å; F167-Y192 AromaticContact CE2-CG 3.47Å; F167-Y192 HydrophobicContact CE2-CG 3.47Å; F167-Y192 VanDerWaalsContact CE2-CG 3.47Å; F167-Y192 AromaticContact CG-CD1 3.95Å; F167-Y192 HydrophobicContact CG-CD1 3.95Å; F167-Y192 HydrophobicContact CG-CE1 4.04Å; F167-Y192 HydrophobicContact CZ-CD1 4.21Å; F167-Y192 HydrophobicContact CZ-CG 4.02Å
168L93.8Very high92.7Very high1 Ų144.5 Ų44.51%0.00524%0.242CC..  trans-55.1133.5-176.9-164.5168.3000111.6I97 C98 L108 I111 S178 A179 E182I97-L168 HydrophobicContact CD1-CD2 4.18Å; I97-L168 HydrophobicContact CG2-CD1 4.26Å; I97-L168 HydrophobicContact CG2-CG 4.48Å; C98-L168 WeakPolarHBondContact O-CA 3.27Å; L108-L168 HydrophobicContact CD1-CD1 3.89Å; L108-L168 HydrophobicContact CD2-CD1 4.08Å; L108-L168 HydrophobicContact CD2-CG 4Å; L108-L168 HydrophobicContact CG-CD1 3.57Å; L108-L168 HydrophobicContact CG-CG 4.07Å; I111-L168 HydrophobicContact CD1-CD1 3.76Å; L168-S178 WeakPolarHBondContact CD2-OG 3.22Å; L168-A179 VanDerWaalsContact O-CB 3.22Å; L168-A179 WeakPolarHBondContact O-CB 3.37Å; L168-E182 HydrophobicContact CB-CB 4.16Å; L168-E182 HydrophobicContact CB-CG 4.27Å; L168-E182 WeakPolarHBondContact CB-OE1 3.34Å; L168-E182 WeakPolarHBondContact CB-OE2 3.31Å; L168-E182 HydrophobicContact CD1-CB 4.13Å; L168-E182 PolarHBondContact N-OE1 2.94Å; L168-E182 PolarHBondContact N-OE2 3.28Å; L168-E182 VanDerWaalsContact N-OE2 3.14Å
169H92.6Very high92.6Very high66 Ų6644.5 Ų44.531%0.30624%0.242SC..BIsolated β-bridgetrans-144.9166.7174.459.1-76.2000112D96 C98 L165 F167D96-H169 CarbonylContact O-C 3.45Å; C98-H169 WeakPolarHBondContact CB-O 3.28Å; C98-H169 PolarHBondContact N-O 2.93Å; C98-H169 PolarHBondContact O-N 2.87Å; L165-H169 HydrophobicContact CB-CB 4.11Å; L165-H169 HydrophobicContact CD1-CB 3.61Å; L165-H169 HydrophobicContact CG-CB 4.47Å; F167-H169 PolarHBondContact O-N 3.06Å; F167-H169 PolarHBondContact O-ND1 3.1Å; F167-H169 VanDerWaalsContact O-ND1 3.13Å
170S90.8Very high92.7Very high6 Ų644.3 Ų44.34%0.04224%0.241CC..  trans-96.5148.2173.5172.60000110.7D96 E172 G173 E175D96-S170 WeakPolarHBondContact O-CA 3.12Å; S170-E172 VanDerWaalsContact C-N 3.3Å; S170-E172 PolarHBondContact O-N 3.39Å; S170-E172 PolarHBondContact OG-N 3.36Å; S170-G173 PolarHBondContact O-N 2.88Å; S170-E175 PolarHBondContact OG-OE2 3.24Å
171E84.3Confident92.8Very high140 Ų14044.3 Ų44.365%0.65424%0.241SC*.THydrogen-bonded Turntrans-62.7-35.1174.3-169.4-175.8177.800112.3G173E171-G173 PolarHBondContact O-N 2.93Å
172E83.1Confident93Very high124 Ų12440.5 Ų40.558%0.57922%0.224SC*.THydrogen-bonded Turntrans-64.8-13.8-178.9-174.460.4-151.800112.4S170 S174S170-E172 VanDerWaalsContact C-N 3.3Å; S170-E172 PolarHBondContact O-N 3.39Å; S170-E172 PolarHBondContact OG-N 3.36Å; E172-S174 PolarHBondContact O-N 2.92Å
173G82Confident93.3Very high49 Ų4933 Ų3351%0.50518%0.184SC..SBendtrans67.7-19.517200000116.2S170 E171S170-G173 PolarHBondContact O-N 2.88Å; E171-G173 PolarHBondContact O-N 2.93Å
174S91.4Very high93.7Very high29 Ų2931.2 Ų31.220%0.20317%0.166CC..SBendtrans-105.1-0.5176.768.70000113.6Q86 E172 F176Q86-S174 PolarHBondContact N-O 2.86Å; E172-S174 PolarHBondContact O-N 2.92Å; S174-F176 VanDerWaalsContact O-CD2 3.29Å; S174-F176 WeakPolarHBondContact O-CD2 3.45Å; S174-F176 WeakPolarHBondContact O-CE2 3.27Å
175E94.4Very high93.9Very high5 Ų524.1 Ų24.12%0.02313%0.133CC..BIsolated β-bridgetrans-106.8136.1-178.9-173.8-178.6-135.400111.9Q86 F87 I88 V89 D96 S170Q86-E175 WeakPolarHBondContact O-CA 3.47Å; F87-E175 WeakPolarHBondContact O-CG 3.28Å; I88-E175 VanDerWaalsContact CA-OE1 3.26Å; I88-E175 WeakPolarHBondContact CA-OE1 3.34Å; V89-E175 HydrophobicContact CG2-CB 4.16Å; V89-E175 HydrophobicContact CG2-CG 4.38Å; V89-E175 PolarHBondContact N-OE1 3.05Å; D96-E175 VanDerWaalsContact CB-OE2 3.32Å; D96-E175 WeakPolarHBondContact CB-OE2 3.38Å; S170-E175 PolarHBondContact OG-OE2 3.24Å
176F96.8Very high94Very high4 Ų422.4 Ų22.42%0.01812%0.124CC..  trans-133.9-0.3-167-63.4-87.3000116.3P78 L81 C82 P85 Q86 F131 L158 L165 S174 S178 A179 L180P78-F176 HydrophobicContact CB-CD1 3.97Å; P78-F176 HydrophobicContact CB-CD2 3.73Å; P78-F176 HydrophobicContact CB-CE1 4Å; P78-F176 HydrophobicContact CB-CE2 3.76Å; P78-F176 HydrophobicContact CB-CG 3.84Å; P78-F176 HydrophobicContact CB-CZ 3.9Å; P78-F176 HydrophobicContact CG-CB 4.19Å; P78-F176 HydrophobicContact CG-CD1 3.73Å; P78-F176 HydrophobicContact CG-CD2 4.17Å; P78-F176 HydrophobicContact CG-CE1 4.13Å; P78-F176 HydrophobicContact CG-CG 3.75Å; L81-F176 HydrophobicContact CD1-CE1 4.26Å; C82-F176 VanDerWaalsContact SG-CE2 3.58Å; P85-F176 HydrophobicContact CB-CD2 4.01Å; P85-F176 HydrophobicContact CB-CE2 3.79Å; Q86-F176 PolarHBondContact O-N 3.24Å; Q86-F176 VanDerWaalsContact O-N 3.15Å; F131-F176 HydrophobicContact CE2-CB 4.13Å; F131-F176 HydrophobicContact CE2-CD2 4.36Å; F131-F176 HydrophobicContact CZ-CB 4.07Å; L158-F176 HydrophobicContact CD1-CD1 4.01Å; L165-F176 HydrophobicContact CD1-CD1 4.3Å; L165-F176 HydrophobicContact CD1-CE1 4.16Å; S174-F176 VanDerWaalsContact O-CD2 3.29Å; S174-F176 WeakPolarHBondContact O-CD2 3.45Å; S174-F176 WeakPolarHBondContact O-CE2 3.27Å; F176-S178 PolarHBondContact O-N 2.94Å; F176-A179 PolarHBondContact O-N 3.21Å; F176-L180 HydrophobicContact CB-CD1 4.43Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 VanDerWaalsContact O-CG 3.29Å; F176-L180 WeakPolarHBondContact O-CG 3.34Å; F176-L180 PolarHBondContact O-N 3.05Å; F176-L180 VanDerWaalsContact O-N 3.07Å
177W96.6Very high94.2Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-56.8-40.1-178.170.5-87.9000112.5F87 I88 A92 D96 I97 I111 T115 L121 V125 L180 L181F87-W177 HydrophobicContact CD1-CB 4.31Å; F87-W177 HydrophobicContact CD2-CB 4.06Å; F87-W177 HydrophobicContact CE1-CB 4.09Å; F87-W177 HydrophobicContact CE2-CB 3.83Å; F87-W177 HydrophobicContact CG-CB 4.31Å; F87-W177 HydrophobicContact CZ-CB 3.85Å; F87-W177 VanDerWaalsContact O-CB 3.23Å; F87-W177 WeakPolarHBondContact O-CB 3.26Å; F87-W177 VanDerWaalsContact O-CD1 3.31Å; F87-W177 PolarHBondContact O-N 2.66Å; I88-W177 HydrophobicContact CD1-CB 4.45Å; I88-W177 HydrophobicContact CD1-CG 4.4Å; I88-W177 HydrophobicContact CG1-CB 3.78Å; I88-W177 HydrophobicContact CG1-CG 3.69Å; A92-W177 HydrophobicContact CB-CD2 4.21Å; A92-W177 HydrophobicContact CB-CH2 4.31Å; A92-W177 HydrophobicContact CB-CZ2 3.62Å; D96-W177 HydrophobicContact CB-CZ2 4Å; D96-W177 PolarHBondContact OD2-NE1 3.5Å; I97-W177 HydrophobicContact CD1-CH2 3.87Å; I97-W177 HydrophobicContact CD1-CZ2 3.97Å; I111-W177 HydrophobicContact CG2-CH2 3.64Å; I111-W177 HydrophobicContact CG2-CZ3 3.84Å; T115-W177 HydrophobicContact CG2-CH2 3.89Å; T115-W177 HydrophobicContact CG2-CZ2 4.11Å; L121-W177 HydrophobicContact CD1-CH2 3.97Å; L121-W177 HydrophobicContact CD1-CZ3 3.86Å; V125-W177 HydrophobicContact CG1-CB 4.49Å; V125-W177 HydrophobicContact CG1-CE3 4.37Å; V125-W177 HydrophobicContact CG2-CE3 3.92Å; V125-W177 HydrophobicContact CG2-CZ3 4.09Å; W177-L180 PolarHBondContact O-N 3.07Å; W177-L181 HydrophobicContact CE3-CD2 4.32Å; W177-L181 HydrophobicContact CZ3-CD2 3.81Å; W177-L181 WeakPolarHBondContact O-CB 3.3Å; W177-L181 PolarHBondContact O-N 2.73Å
178S95.8Very high94.2Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-71.8-42.1-174.760.60000111.7D96 L168 F176 L180 L181 E182D96-S178 PolarHBondContact O-OG 3.26Å; L168-S178 WeakPolarHBondContact CD2-OG 3.22Å; F176-S178 PolarHBondContact O-N 2.94Å; S178-L180 VanDerWaalsContact C-N 3.31Å; S178-L180 PolarHBondContact O-N 3.47Å; S178-L181 WeakPolarHBondContact O-CB 3.36Å; S178-L181 PolarHBondContact O-N 3.19Å; S178-E182 PolarHBondContact O-N 3.46Å
179A97.3Very high94.2Very high2 Ų221.4 Ų21.42%0.01712%0.117CC..Hα-helixtrans-62.5-38.7173.800000112.1L158 L165 L168 F176 K183L158-A179 HydrophobicContact CD1-CB 3.87Å; L158-A179 HydrophobicContact CD2-CB 4.17Å; L165-A179 HydrophobicContact CD1-CB 4.31Å; L168-A179 VanDerWaalsContact O-CB 3.22Å; L168-A179 WeakPolarHBondContact O-CB 3.37Å; F176-A179 PolarHBondContact O-N 3.21Å; A179-K183 PolarHBondContact O-N 3.02Å; A179-K183 VanDerWaalsContact O-N 3.12Å
180L98.4Very high94.3Very high0 Ų019.6 Ų19.60%012%0.117CC..Hα-helixtrans-71.7-36.1176.1-69.1173.9000112F87 F131 F139 F141 I154 D156 L158 F176 W177 S178 K183 A184F87-L180 HydrophobicContact CD2-CD1 4.2Å; F87-L180 HydrophobicContact CE2-CD1 4Å; F131-L180 HydrophobicContact CZ-CD1 4.04Å; F139-L180 HydrophobicContact CD1-CD1 4.1Å; F139-L180 HydrophobicContact CD2-CD1 3.86Å; F139-L180 HydrophobicContact CE1-CD1 4.29Å; F139-L180 HydrophobicContact CE2-CD1 4.07Å; F139-L180 HydrophobicContact CG-CD1 3.89Å; F139-L180 HydrophobicContact CZ-CD1 4.28Å; F141-L180 HydrophobicContact CE2-CB 3.83Å; F141-L180 HydrophobicContact CZ-CB 3.6Å; I154-L180 HydrophobicContact CD1-CB 4.07Å; I154-L180 HydrophobicContact CD1-CD2 3.99Å; I154-L180 WeakPolarHBondContact CD1-O 3.37Å; D156-L180 HydrophobicContact CB-CD2 3.87Å; L158-L180 HydrophobicContact CD1-CD2 4.44Å; L158-L180 HydrophobicContact CD2-CD2 4.15Å; L158-L180 HydrophobicContact CG-CD2 4.35Å; F176-L180 HydrophobicContact CB-CD1 4.43Å; F176-L180 WeakPolarHBondContact O-CB 3.49Å; F176-L180 VanDerWaalsContact O-CG 3.29Å; F176-L180 WeakPolarHBondContact O-CG 3.34Å; F176-L180 PolarHBondContact O-N 3.05Å; F176-L180 VanDerWaalsContact O-N 3.07Å; W177-L180 PolarHBondContact O-N 3.07Å; S178-L180 VanDerWaalsContact C-N 3.31Å; S178-L180 PolarHBondContact O-N 3.47Å; L180-K183 WeakPolarHBondContact O-CB 3.39Å; L180-K183 PolarHBondContact O-N 2.68Å; L180-A184 PolarHBondContact O-N 3.27Å
181L98.2Very high94.5Very high1 Ų119.5 Ų19.51%0.00512%0.116CC..Hα-helixtrans-61.9-48.3174.4178.567.6000111.1I111 V124 V125 F141 F143 W177 S178 K183 A184 Y185I111-L181 HydrophobicContact CD1-CD2 3.98Å; I111-L181 HydrophobicContact CG1-CD2 3.89Å; I111-L181 HydrophobicContact CG2-CD2 3.91Å; V124-L181 HydrophobicContact CG1-CD1 3.6Å; V125-L181 HydrophobicContact CG2-CD1 4.24Å; V125-L181 HydrophobicContact CG2-CD2 4.26Å; F141-L181 HydrophobicContact CB-CD1 4.11Å; F141-L181 HydrophobicContact CD1-CB 4.09Å; F141-L181 HydrophobicContact CD1-CD1 3.39Å; F141-L181 HydrophobicContact CD1-CG 4.36Å; F141-L181 HydrophobicContact CE1-CB 3.8Å; F141-L181 HydrophobicContact CE1-CD1 3.98Å; F141-L181 HydrophobicContact CG-CD1 3.89Å; F141-L181 HydrophobicContact CZ-CB 4.28Å; F143-L181 HydrophobicContact CE1-CD1 3.58Å; F143-L181 HydrophobicContact CZ-CD1 3.62Å; W177-L181 HydrophobicContact CE3-CD2 4.32Å; W177-L181 HydrophobicContact CZ3-CD2 3.81Å; W177-L181 WeakPolarHBondContact O-CB 3.3Å; W177-L181 PolarHBondContact O-N 2.73Å; S178-L181 WeakPolarHBondContact O-CB 3.36Å; S178-L181 PolarHBondContact O-N 3.19Å; L181-K183 VanDerWaalsContact C-N 3.3Å; L181-K183 PolarHBondContact O-N 3.41Å; L181-A184 PolarHBondContact O-N 3.36Å; L181-Y185 PolarHBondContact O-N 3.19Å
182E98.2Very high95Very high1 Ų112.9 Ų12.91%0.0059%0.085CC..Hα-helixtrans-57.4-44174.9-175.7-163-133.600110.8L107 F167 L168 S178 A184 Y185 A186 Y192 L195L107-E182 HydrophobicContact CD2-CG 4.48Å; F167-E182 WeakPolarHBondContact CB-OE2 3.47Å; L168-E182 HydrophobicContact CB-CB 4.16Å; L168-E182 HydrophobicContact CB-CG 4.27Å; L168-E182 WeakPolarHBondContact CB-OE1 3.34Å; L168-E182 WeakPolarHBondContact CB-OE2 3.31Å; L168-E182 HydrophobicContact CD1-CB 4.13Å; L168-E182 PolarHBondContact N-OE1 2.94Å; L168-E182 PolarHBondContact N-OE2 3.28Å; L168-E182 VanDerWaalsContact N-OE2 3.14Å; S178-E182 PolarHBondContact O-N 3.46Å; E182-A184 PolarHBondContact O-N 3.44Å; E182-Y185 PolarHBondContact O-N 3.37Å; E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.59Å; E182-Y192 HydrophobicContact CG-CD1 4.5Å; E182-Y192 HydrophobicContact CG-CE1 4.11Å; E182-Y192 WeakPolarHBondContact OE2-CE1 3.22Å; E182-L195 HydrophobicContact CG-CD1 4.3Å
183K98.5Very high95.6Very high1 Ų17.3 Ų7.30%0.0046%0.059CC..Hα-helixtrans-59.6-45175.4-175.5175167.7-171.90112.8F51 I154 D155 R157 L158 A179 L180 L181 Y185 A186 K187 Y192F51-K183 HydrophobicContact CD1-CG 4.45Å; F51-K183 HydrophobicContact CE1-CG 4.14Å; I154-K183 HydrophobicContact CD1-CB 3.96Å; I154-K183 HydrophobicContact CD1-CD 4.02Å; I154-K183 HydrophobicContact CD1-CG 4.08Å; D155-K183 PolarHBondContact O-NZ 3.41Å; D155-K183 IonicContact OD1-NZ 3.37Å; D155-K183 PolarHBondContact OD1-NZ 3.32Å; R157-K183 WeakPolarHBondContact O-CD 3.42Å; R157-K183 WeakPolarHBondContact O-CE 3.3Å; R157-K183 PolarHBondContact O-NZ 2.85Å; L158-K183 HydrophobicContact CD2-CB 4.37Å; L158-K183 HydrophobicContact CD2-CD 4.2Å; A179-K183 PolarHBondContact O-N 3.02Å; A179-K183 VanDerWaalsContact O-N 3.12Å; L180-K183 WeakPolarHBondContact O-CB 3.39Å; L180-K183 PolarHBondContact O-N 2.68Å; L181-K183 VanDerWaalsContact C-N 3.3Å; L181-K183 PolarHBondContact O-N 3.41Å; K183-Y185 VanDerWaalsContact C-N 3.28Å; K183-Y185 PolarHBondContact O-N 3.13Å; K183-A186 WeakPolarHBondContact O-CB 3.5Å; K183-A186 PolarHBondContact O-N 2.9Å; K183-K187 PolarHBondContact O-N 2.98Å; K183-Y192 WeakPolarHBondContact CA-OH 3.47Å; K183-Y192 WeakPolarHBondContact CB-OH 3.5Å; K183-Y192 HydrophobicContact CG-CE2 4.44Å; K183-Y192 WeakPolarHBondContact CG-OH 3.25Å
184A98.4Very high96.1Very high0 Ų05 Ų50%04%0.036CC..Hα-helixtrans-63.9-38.3178.700000111.1F141 F143 V152 I154 L180 L181 E182 K187 L188F141-A184 HydrophobicContact CB-CB 4.07Å; F141-A184 HydrophobicContact CD2-CB 3.44Å; F141-A184 VanDerWaalsContact CD2-CB 3.44Å; F141-A184 HydrophobicContact CE2-CB 4.21Å; F141-A184 HydrophobicContact CG-CB 4Å; F143-A184 HydrophobicContact CE2-CB 3.82Å; F143-A184 HydrophobicContact CZ-CB 3.97Å; V152-A184 HydrophobicContact CG1-CB 4.13Å; I154-A184 HydrophobicContact CD1-CB 4.15Å; I154-A184 HydrophobicContact CG1-CB 4.41Å; I154-A184 HydrophobicContact CG2-CB 3.96Å; L180-A184 PolarHBondContact O-N 3.27Å; L181-A184 PolarHBondContact O-N 3.36Å; E182-A184 PolarHBondContact O-N 3.44Å; A184-K187 WeakPolarHBondContact O-CB 3.28Å; A184-K187 PolarHBondContact O-N 2.98Å; A184-L188 PolarHBondContact O-N 2.85Å
185Y97.8Very high96.2Very high1 Ų13.7 Ų3.70%0.0043%0.026CC..Hα-helixtrans-70.1-36.6175.4-161.5-102.9000112.6W106 L107 F143 L181 E182 K183 L188 N189 L195 D206W106-Y185 AromaticContact CH2-CE1 3.67Å; W106-Y185 HydrophobicContact CH2-CE1 3.67Å; W106-Y185 HydrophobicContact CZ2-CE1 4.35Å; W106-Y185 HydrophobicContact CZ3-CE1 4.47Å; L107-Y185 HydrophobicContact CD1-CD1 3.76Å; L107-Y185 HydrophobicContact CD1-CE1 3.76Å; L107-Y185 HydrophobicContact CD1-CG 4.26Å; L107-Y185 HydrophobicContact CD2-CD1 3.54Å; L107-Y185 HydrophobicContact CD2-CE1 4.13Å; L107-Y185 HydrophobicContact CD2-CG 4.25Å; L107-Y185 HydrophobicContact CG-CD1 4.31Å; F143-Y185 AromaticContact CD1-CD2 3.72Å; F143-Y185 HydrophobicContact CD1-CD2 3.72Å; F143-Y185 HydrophobicContact CD1-CE2 4.28Å; F143-Y185 AromaticContact CE1-CD2 3.66Å; F143-Y185 HydrophobicContact CE1-CD2 3.66Å; F143-Y185 HydrophobicContact CE1-CG 4.37Å; F143-Y185 HydrophobicContact CG-CD2 4.21Å; F143-Y185 HydrophobicContact CZ-CD2 4.09Å; L181-Y185 PolarHBondContact O-N 3.19Å; E182-Y185 PolarHBondContact O-N 3.37Å; K183-Y185 VanDerWaalsContact C-N 3.28Å; K183-Y185 PolarHBondContact O-N 3.13Å; Y185-L188 HydrophobicContact CD2-CD2 4.27Å; Y185-L188 HydrophobicContact CE2-CD2 4.38Å; Y185-L188 WeakPolarHBondContact O-CB 3.43Å; Y185-L188 PolarHBondContact O-N 3.2Å; Y185-N189 VanDerWaalsContact CE1-ND2 3.31Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.39Å; Y185-N189 PolarHBondContact O-N 3.31Å; Y185-N189 VanDerWaalsContact O-N 3.1Å; Y185-N189 PolarHBondContact O-ND2 3.44Å; Y185-L195 HydrophobicContact CD1-CD1 4.18Å; Y185-L195 HydrophobicContact CD1-CD2 3.43Å; Y185-L195 VanDerWaalsContact CD1-CD2 3.43Å; Y185-L195 HydrophobicContact CD1-CG 4.44Å; Y185-L195 HydrophobicContact CE1-CD2 3.71Å; Y185-D206 HydrophobicContact CE2-CB 3.92Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.44Å; Y185-D206 PolarHBondContact OH-OD2 3Å
186A97.1Very high96Very high0 Ų05.1 Ų5.10%04%0.039CC..Hα-helixtrans-61.4-44.5171.200000111.2F51 E182 K183 L188 N189 G190 S191 Y192 L195F51-A186 HydrophobicContact CZ-CB 4.23Å; E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.59Å; K183-A186 WeakPolarHBondContact O-CB 3.5Å; K183-A186 PolarHBondContact O-N 2.9Å; A186-L188 PolarHBondContact O-N 3.1Å; A186-N189 CarbonylContact O-C 3.57Å; A186-N189 PolarHBondContact O-N 3.15Å; A186-G190 CarbonylContact O-C 3.58Å; A186-G190 PolarHBondContact O-N 3.31Å; A186-S191 PolarHBondContact O-N 3.16Å; A186-Y192 HydrophobicContact CB-CD1 3.89Å; A186-Y192 HydrophobicContact CB-CD2 4.05Å; A186-Y192 HydrophobicContact CB-CE1 4.15Å; A186-Y192 HydrophobicContact CB-CE2 4.3Å; A186-Y192 HydrophobicContact CB-CG 3.85Å; A186-L195 HydrophobicContact CB-CD1 3.83Å; A186-L195 HydrophobicContact CB-CG 4.37Å
187K97.5Very high95.5Very high5 Ų57.1 Ų7.12%0.0226%0.06CC..Hα-helixtrans-58.4-47.5174.1173.5176-178.4176.40111.9Y27 D48 F51 V152 V153 I154 K183 A184 N189 G190Y27-K187 HydrophobicContact CE1-CG 4.13Å; D48-K187 VanDerWaalsContact CG-NZ 3.32Å; D48-K187 IonicContact OD1-NZ 3.49Å; D48-K187 PolarHBondContact OD1-NZ 3.41Å; D48-K187 WeakPolarHBondContact OD2-CE 3.39Å; D48-K187 IonicContact OD2-NZ 2.61Å; D48-K187 PolarHBondContact OD2-NZ 2.95Å; F51-K187 HydrophobicContact CB-CB 4.16Å; F51-K187 HydrophobicContact CB-CD 3.61Å; F51-K187 HydrophobicContact CB-CG 3.75Å; F51-K187 HydrophobicContact CD1-CB 4.02Å; F51-K187 HydrophobicContact CD2-CB 3.77Å; F51-K187 HydrophobicContact CD2-CG 3.9Å; F51-K187 HydrophobicContact CE1-CB 4.31Å; F51-K187 HydrophobicContact CE2-CB 4.09Å; F51-K187 HydrophobicContact CG-CB 3.72Å; F51-K187 HydrophobicContact CG-CD 4.14Å; F51-K187 HydrophobicContact CG-CG 3.84Å; F51-K187 HydrophobicContact CZ-CB 4.34Å; V152-K187 HydrophobicContact CG1-CD 4Å; V152-K187 HydrophobicContact CG1-CG 4.37Å; V153-K187 PolarHBondContact O-NZ 2.94Å; I154-K187 HydrophobicContact CG2-CB 4.43Å; I154-K187 HydrophobicContact CG2-CD 3.8Å; K183-K187 PolarHBondContact O-N 2.98Å; A184-K187 WeakPolarHBondContact O-CB 3.28Å; A184-K187 PolarHBondContact O-N 2.98Å; K187-N189 PolarHBondContact O-N 2.99Å; K187-G190 PolarHBondContact O-N 3.15Å; K187-G190 VanDerWaalsContact O-N 3.09Å
188L95.5Very high95Very high9 Ų98.9 Ų8.95%0.0478%0.078CC..Hα-helixtrans-57-38.7178.8-175.361.3000111.9Y27 F143 Q145 V152 A184 Y185 A186Y27-L188 HydrophobicContact CD2-CD1 3.93Å; Y27-L188 HydrophobicContact CE2-CD1 3.64Å; Y27-L188 PolarHBondContact OH-O 2.87Å; F143-L188 HydrophobicContact CB-CD2 3.82Å; F143-L188 HydrophobicContact CD2-CD2 3.8Å; F143-L188 HydrophobicContact CG-CD2 3.93Å; Q145-L188 HydrophobicContact CG-CD1 4.25Å; Q145-L188 HydrophobicContact CG-CD2 3.87Å; Q145-L188 HydrophobicContact CG-CG 4.47Å; V152-L188 HydrophobicContact CG2-CD1 4.12Å; A184-L188 PolarHBondContact O-N 2.85Å; Y185-L188 HydrophobicContact CD2-CD2 4.27Å; Y185-L188 HydrophobicContact CE2-CD2 4.38Å; Y185-L188 WeakPolarHBondContact O-CB 3.43Å; Y185-L188 PolarHBondContact O-N 3.2Å; A186-L188 PolarHBondContact O-N 3.1Å
189N94.2Very high94.5Very high6 Ų69.9 Ų9.93%0.0329%0.085CC..Hα-helixtrans-90.1-5.3179.3-72.5-77.3000114.7Y185 A186 K187 A194 L195 R419 R420Y185-N189 VanDerWaalsContact CE1-ND2 3.31Å; Y185-N189 WeakPolarHBondContact CE1-ND2 3.39Å; Y185-N189 PolarHBondContact O-N 3.31Å; Y185-N189 VanDerWaalsContact O-N 3.1Å; Y185-N189 PolarHBondContact O-ND2 3.44Å; A186-N189 CarbonylContact O-C 3.57Å; A186-N189 PolarHBondContact O-N 3.15Å; K187-N189 PolarHBondContact O-N 2.99Å; N189-A194 HydrophobicContact CB-CB 4.08Å; N189-A194 WeakPolarHBondContact O-CB 3.23Å; N189-L195 HydrophobicContact CB-CD2 3.83Å; N189-R419 HydrophobicContact CB-CB 4.38Å; N189-R419 WeakPolarHBondContact OD1-CB 2.76Å; N189-R419 VanDerWaalsContact OD1-CD 3.28Å; N189-R419 WeakPolarHBondContact OD1-CD 3.4Å; N189-R420 VanDerWaalsContact O-CG 3.32Å; N189-R420 WeakPolarHBondContact O-CG 3.46Å
190G93.5Very high94.2Very high28 Ų2810 Ų1029%0.2899%0.086SC..THydrogen-bonded Turntrans102-26.8172.700000116.2A186 K187A186-G190 CarbonylContact O-C 3.58Å; A186-G190 PolarHBondContact O-N 3.31Å; K187-G190 PolarHBondContact O-N 3.15Å; K187-G190 VanDerWaalsContact O-N 3.09Å
191S95.3Very high93.8Very high4 Ų410.3 Ų10.33%0.0289%0.088CC..SBendtrans-165.2164.7174.666.30000110.7A57 A186 E193 A194A57-S191 CarbonylContact O-C 3.45Å; A57-S191 VanDerWaalsContact O-CA 3.25Å; A57-S191 WeakPolarHBondContact O-CA 3.49Å; A57-S191 WeakPolarHBondContact O-CB 3.42Å; A186-S191 PolarHBondContact O-N 3.16Å; S191-E193 VanDerWaalsContact C-N 3.33Å; S191-E193 PolarHBondContact O-N 3.37Å; S191-A194 WeakPolarHBondContact O-CB 3.49Å; S191-A194 PolarHBondContact O-N 2.78Å; S191-A194 PolarHBondContact OG-N 2.83Å
192Y96.1Very high93.5Very high1 Ų110.8 Ų10.80%0.0049%0.09CC..G310 helixtrans-59.2-43.5172.2-79.6-88.9000111.6F51 A57 V58 W75 L102 P159 F167 E182 K183 A186 A194 L195F51-Y192 HydrophobicContact CE1-CE2 4.25Å; F51-Y192 HydrophobicContact CZ-CD2 4.42Å; F51-Y192 HydrophobicContact CZ-CE2 4.48Å; A57-Y192 WeakPolarHBondContact O-CD2 3.27Å; A57-Y192 PolarHBondContact O-N 3.13Å; V58-Y192 WeakPolarHBondContact O-CB 3.16Å; V58-Y192 PolarHBondContact O-N 2.9Å; W75-Y192 HydrophobicContact CH2-CE2 4.03Å; L102-Y192 HydrophobicContact CD2-CD1 4.23Å; P159-Y192 HydrophobicContact CG-CE2 3.87Å; F167-Y192 HydrophobicContact CB-CE1 4.28Å; F167-Y192 AromaticContact CD2-CD1 3.41Å; F167-Y192 HydrophobicContact CD2-CD1 3.41Å; F167-Y192 VanDerWaalsContact CD2-CD1 3.41Å; F167-Y192 HydrophobicContact CD2-CD2 4.26Å; F167-Y192 AromaticContact CD2-CE1 3.39Å; F167-Y192 HydrophobicContact CD2-CE1 3.39Å; F167-Y192 HydrophobicContact CD2-CE2 4.25Å; F167-Y192 AromaticContact CD2-CG 3.85Å; F167-Y192 HydrophobicContact CD2-CG 3.85Å; F167-Y192 AromaticContact CD2-CZ 3.82Å; F167-Y192 AromaticContact CE2-CD1 3.55Å; F167-Y192 HydrophobicContact CE2-CD1 3.55Å; F167-Y192 AromaticContact CE2-CD2 3.79Å; F167-Y192 HydrophobicContact CE2-CD2 3.79Å; F167-Y192 AromaticContact CE2-CE1 3.92Å; F167-Y192 HydrophobicContact CE2-CE1 3.92Å; F167-Y192 HydrophobicContact CE2-CE2 4.14Å; F167-Y192 AromaticContact CE2-CG 3.47Å; F167-Y192 HydrophobicContact CE2-CG 3.47Å; F167-Y192 VanDerWaalsContact CE2-CG 3.47Å; F167-Y192 AromaticContact CG-CD1 3.95Å; F167-Y192 HydrophobicContact CG-CD1 3.95Å; F167-Y192 HydrophobicContact CG-CE1 4.04Å; F167-Y192 HydrophobicContact CZ-CD1 4.21Å; F167-Y192 HydrophobicContact CZ-CG 4.02Å; E182-Y192 HydrophobicContact CG-CD1 4.5Å; E182-Y192 HydrophobicContact CG-CE1 4.11Å; E182-Y192 WeakPolarHBondContact OE2-CE1 3.22Å; K183-Y192 WeakPolarHBondContact CA-OH 3.47Å; K183-Y192 WeakPolarHBondContact CB-OH 3.5Å; K183-Y192 HydrophobicContact CG-CE2 4.44Å; K183-Y192 WeakPolarHBondContact CG-OH 3.25Å; A186-Y192 HydrophobicContact CB-CD1 3.89Å; A186-Y192 HydrophobicContact CB-CD2 4.05Å; A186-Y192 HydrophobicContact CB-CE1 4.15Å; A186-Y192 HydrophobicContact CB-CE2 4.3Å; A186-Y192 HydrophobicContact CB-CG 3.85Å; Y192-A194 PolarHBondContact O-N 3.29Å; Y192-L195 VanDerWaalsContact O-CB 3.27Å; Y192-L195 WeakPolarHBondContact O-CB 3.35Å; Y192-L195 WeakPolarHBondContact O-CG 3.27Å; Y192-L195 PolarHBondContact O-N 3.47Å
193E94.9Very high93.3Very high7 Ų710.7 Ų10.73%0.0339%0.09CC..G310 helixtrans-58.4-25.6177.5-165.4-179.7162.600113.7V58 G59 Y60 R61 D62 L63 S191 L195 A196V58-E193 PolarHBondContact O-N 3.07Å; G59-E193 WeakPolarHBondContact CA-OE2 3.45Å; Y60-E193 HydrophobicContact CE1-CB 4.32Å; Y60-E193 HydrophobicContact CE1-CG 4.5Å; Y60-E193 PolarHBondContact N-OE2 3.24Å; R61-E193 WeakPolarHBondContact CB-OE1 3.31Å; R61-E193 PolarHBondContact N-OE1 2.93Å; R61-E193 PolarHBondContact N-OE2 2.97Å; D62-E193 PolarHBondContact N-OE1 3.47Å; D62-E193 PolarHBondContact N-OE2 2.63Å; L63-E193 HydrophobicContact CB-CB 4.19Å; L63-E193 HydrophobicContact CB-CG 4.28Å; L63-E193 HydrophobicContact CD1-CB 4.24Å; L63-E193 HydrophobicContact CD1-CG 4.44Å; L63-E193 HydrophobicContact CG-CG 4.38Å; L63-E193 PolarHBondContact N-OE2 3.37Å; L63-E193 VanDerWaalsContact N-OE2 3.09Å; S191-E193 VanDerWaalsContact C-N 3.33Å; S191-E193 PolarHBondContact O-N 3.37Å; E193-L195 PolarHBondContact O-N 3.13Å; E193-A196 WeakPolarHBondContact O-CB 3.2Å; E193-A196 PolarHBondContact O-N 3.11Å; E193-A196 VanDerWaalsContact O-N 3.14Å
194A93Very high93Very high2 Ų210.7 Ų10.72%0.0179%0.089CC..G310 helixtrans-67.6-19.6177.400000112.7N189 S191 Y192 R419N189-A194 HydrophobicContact CB-CB 4.08Å; N189-A194 WeakPolarHBondContact O-CB 3.23Å; S191-A194 WeakPolarHBondContact O-CB 3.49Å; S191-A194 PolarHBondContact O-N 2.78Å; S191-A194 PolarHBondContact OG-N 2.83Å; Y192-A194 PolarHBondContact O-N 3.29Å; A194-R419 PolarHBondContact O-NH1 2.79Å
195L93.3Very high92.8Very high0 Ų010.7 Ų10.70%09%0.089CC..G310 helixtrans-79.9-19.6176.2-51.5-173.6000112.4L102 D104 W106 L107 E182 Y185 A186 N189 Y192 E193 G197L102-L195 HydrophobicContact CD2-CB 4.26Å; D104-L195 HydrophobicContact CB-CB 4Å; W106-L195 PolarHBondContact NE1-O 3.28Å; L107-L195 HydrophobicContact CD2-CD1 3.91Å; E182-L195 HydrophobicContact CG-CD1 4.3Å; Y185-L195 HydrophobicContact CD1-CD1 4.18Å; Y185-L195 HydrophobicContact CD1-CD2 3.43Å; Y185-L195 VanDerWaalsContact CD1-CD2 3.43Å; Y185-L195 HydrophobicContact CD1-CG 4.44Å; Y185-L195 HydrophobicContact CE1-CD2 3.71Å; A186-L195 HydrophobicContact CB-CD1 3.83Å; A186-L195 HydrophobicContact CB-CG 4.37Å; N189-L195 HydrophobicContact CB-CD2 3.83Å; Y192-L195 VanDerWaalsContact O-CB 3.27Å; Y192-L195 WeakPolarHBondContact O-CB 3.35Å; Y192-L195 WeakPolarHBondContact O-CG 3.27Å; Y192-L195 PolarHBondContact O-N 3.47Å; E193-L195 PolarHBondContact O-N 3.13Å; L195-G197 PolarHBondContact O-N 3.35Å
196A90.6Very high92.6Very high36 Ų3610.6 Ų10.630%0.2989%0.089SC..SBendtrans-60.4124.5178.600000111.4L102 E193 K422L102-A196 HydrophobicContact CD1-CB 4.15Å; E193-A196 WeakPolarHBondContact O-CB 3.2Å; E193-A196 PolarHBondContact O-N 3.11Å; E193-A196 VanDerWaalsContact O-N 3.14Å; A196-K422 PolarHBondContact O-NZ 3.08Å
197G85.3Confident92.4Very high45 Ų4510.7 Ų10.746%0.4649%0.089SC..SBendtrans69.6120.6-177.500000113.7G103 L195 R419G103-G197 PolarHBondContact O-N 3.12Å; L195-G197 PolarHBondContact O-N 3.35Å; G197-R419 PolarHBondContact O-NH1 2.89Å; G197-R419 PolarHBondContact O-NH2 2.77Å
198G85.7Confident92.1Very high37 Ų3710.4 Ų10.438%0.3819%0.088SC..  trans-173.7178179.700000112.7W106 E202W106-G198 WeakPolarHBondContact CB-O 3.49Å; W106-G198 VanDerWaalsContact CD1-N 3.29Å; W106-G198 VanDerWaalsContact CG-C 3.48Å; G198-E202 WeakPolarHBondContact CA-OE1 3.05Å
199S86.9Confident91.7Very high21 Ų2110.1 Ų10.115%0.1479%0.087CC..  trans-107.7144.3171164.70000110I201 E202 E339S199-I201 PolarHBondContact O-N 2.85Å; S199-I201 VanDerWaalsContact O-N 3.15Å; S199-I201 PolarHBondContact OG-N 3.25Å; S199-E202 PolarHBondContact N-OE1 2.94Å; S199-E202 VanDerWaalsContact O-CB 3.31Å; S199-E202 WeakPolarHBondContact O-CB 3.42Å; S199-E202 PolarHBondContact O-N 3.14Å; S199-E339 PolarHBondContact OG-OE1 3.45Å; S199-E339 PolarHBondContact OG-OE2 3Å
200T90.2Very high91.4Very high4 Ų49.8 Ų9.83%0.0259%0.086CC..Hα-helixtrans-56.4-32.7-179.1-38.60000111.8W106 A109 A110 E202 G203 F204 A263 E339W106-T200 WeakPolarHBondContact O-CG2 3.43Å; A109-T200 HydrophobicContact CB-CG2 3.96Å; A110-T200 HydrophobicContact CB-CG2 3.94Å; T200-E202 PolarHBondContact O-N 3.26Å; T200-G203 WeakPolarHBondContact O-CA 3.45Å; T200-G203 PolarHBondContact O-N 3.17Å; T200-F204 HydrophobicContact CG2-CD1 4.32Å; T200-F204 HydrophobicContact CG2-CD2 4.31Å; T200-F204 HydrophobicContact CG2-CE1 3.7Å; T200-F204 HydrophobicContact CG2-CE2 3.67Å; T200-F204 HydrophobicContact CG2-CZ 3.32Å; T200-F204 WeakPolarHBondContact O-CG 3.43Å; T200-F204 PolarHBondContact O-N 3.27Å; T200-A263 WeakPolarHBondContact OG1-CB 3.41Å; T200-E339 VanDerWaalsContact CB-OE2 3.26Å; T200-E339 WeakPolarHBondContact CB-OE2 3.37Å; T200-E339 PolarHBondContact N-OE2 3.43Å; T200-E339 PolarHBondContact OG1-OE2 2.98Å
201I89.6Confident90.9Very high7 Ų78.5 Ų8.54%0.0367%0.072CC..Hα-helixtrans-55.2-35.7174-78167000113.2S199 G203 F204 E205 S212 F214 E339S199-I201 PolarHBondContact O-N 2.85Å; S199-I201 VanDerWaalsContact O-N 3.15Å; S199-I201 PolarHBondContact OG-N 3.25Å; I201-G203 PolarHBondContact O-N 3.32Å; I201-F204 HydrophobicContact CG1-CD2 4.26Å; I201-F204 PolarHBondContact O-N 2.88Å; I201-E205 HydrophobicContact CG2-CG 4.16Å; I201-E205 WeakPolarHBondContact O-CB 3.14Å; I201-E205 VanDerWaalsContact O-CG 3.23Å; I201-E205 WeakPolarHBondContact O-CG 3.47Å; I201-E205 PolarHBondContact O-N 3.39Å; I201-S212 VanDerWaalsContact CG1-CB 3.48Å; I201-S212 VanDerWaalsContact CG2-CB 3.41Å; I201-S212 WeakPolarHBondContact CG2-OG 3.49Å; I201-F214 HydrophobicContact CD1-CD1 3.76Å; I201-F214 HydrophobicContact CD1-CD2 4.1Å; I201-F214 HydrophobicContact CD1-CE1 3.18Å; I201-F214 HydrophobicContact CD1-CE2 3.54Å; I201-F214 HydrophobicContact CD1-CG 4.21Å; I201-F214 HydrophobicContact CD1-CZ 3.06Å; I201-F214 HydrophobicContact CG1-CZ 4.37Å; I201-E339 HydrophobicContact CD1-CB 3.64Å; I201-E339 HydrophobicContact CD1-CG 3.53Å; I201-E339 HydrophobicContact CG1-CB 3.8Å; I201-E339 HydrophobicContact CG1-CG 4.05Å; I201-E339 WeakPolarHBondContact CG1-OE2 3.49Å; I201-E339 PolarHBondContact N-OE2 3.19Å
202E91.9Very high90.4Very high11 Ų118.3 Ų8.35%0.0517%0.071CC..Hα-helixtrans-60.7-39.8177.2-61.7-177.3-125.800111W106 G198 S199 T200 D206 R419 R467W106-E202 HydrophobicContact CE3-CB 4.19Å; W106-E202 HydrophobicContact CH2-CB 4.09Å; W106-E202 HydrophobicContact CZ3-CB 3.58Å; G198-E202 WeakPolarHBondContact CA-OE1 3.05Å; S199-E202 PolarHBondContact N-OE1 2.94Å; S199-E202 VanDerWaalsContact O-CB 3.31Å; S199-E202 WeakPolarHBondContact O-CB 3.42Å; S199-E202 PolarHBondContact O-N 3.14Å; T200-E202 PolarHBondContact O-N 3.26Å; E202-D206 WeakPolarHBondContact O-CB 3.37Å; E202-D206 PolarHBondContact O-N 3.36Å; E202-D206 VanDerWaalsContact O-N 3.17Å; E202-R419 IonicContact OE1-CZ 3.56Å; E202-R419 IonicContact OE1-NH2 3.61Å; E202-R419 PolarHBondContact OE1-NH2 2.87Å; E202-R419 IonicContact OE2-CZ 2.7Å; E202-R419 VanDerWaalsContact OE2-CZ 3.23Å; E202-R419 IonicContact OE2-NE 3.98Å; E202-R419 PolarHBondContact OE2-NE 3.14Å; E202-R419 IonicContact OE2-NH2 3.6Å; E202-R419 PolarHBondContact OE2-NH2 3.37Å; E202-R467 VanDerWaalsContact CA-CZ 3.46Å; E202-R467 HydrophobicContact CG-CB 3.93Å; E202-R467 PolarHBondContact O-NH1 3.07Å; E202-R467 PolarHBondContact O-NH2 2.99Å
203G93.4Very high89.8Confident0 Ų09.1 Ų9.10%07%0.074CC..Hα-helixtrans-72.1-45.4177.400000111.1T200 I201 E205 D206 F207T200-G203 WeakPolarHBondContact O-CA 3.45Å; T200-G203 PolarHBondContact O-N 3.17Å; I201-G203 PolarHBondContact O-N 3.32Å; G203-E205 VanDerWaalsContact C-N 3.34Å; G203-E205 PolarHBondContact O-N 3.21Å; G203-D206 PolarHBondContact O-N 3.49Å; G203-D206 VanDerWaalsContact O-N 3.15Å; G203-F207 WeakPolarHBondContact O-CB 3.32Å; G203-F207 WeakPolarHBondContact O-CD2 3.38Å; G203-F207 WeakPolarHBondContact O-CG 3.21Å; G203-F207 PolarHBondContact O-N 2.88Å
204F93.3Very high89.3Confident0 Ų012.1 Ų12.10%09%0.088CC..Hα-helixtrans-57.4-46.3178.2-64-30.8000112.5A110 T200 I201 D206 F207 T208 L237 L238 C341A110-F204 HydrophobicContact CB-CD1 3.77Å; A110-F204 HydrophobicContact CB-CE1 3.94Å; T200-F204 HydrophobicContact CG2-CD1 4.32Å; T200-F204 HydrophobicContact CG2-CD2 4.31Å; T200-F204 HydrophobicContact CG2-CE1 3.7Å; T200-F204 HydrophobicContact CG2-CE2 3.67Å; T200-F204 HydrophobicContact CG2-CZ 3.32Å; T200-F204 WeakPolarHBondContact O-CG 3.43Å; T200-F204 PolarHBondContact O-N 3.27Å; I201-F204 HydrophobicContact CG1-CD2 4.26Å; I201-F204 PolarHBondContact O-N 2.88Å; F204-D206 VanDerWaalsContact C-N 3.34Å; F204-F207 PolarHBondContact O-N 3.38Å; F204-T208 WeakPolarHBondContact O-CB 3.16Å; F204-T208 WeakPolarHBondContact O-CG2 3.41Å; F204-T208 PolarHBondContact O-N 2.8Å; F204-T208 PolarHBondContact O-OG1 3.38Å; F204-L237 HydrophobicContact CB-CB 4.45Å; F204-L237 HydrophobicContact CB-CD1 4.29Å; F204-L237 HydrophobicContact CD1-CB 3.44Å; F204-L237 VanDerWaalsContact CD1-CB 3.44Å; F204-L237 HydrophobicContact CD1-CD1 3.6Å; F204-L237 HydrophobicContact CD1-CG 4.19Å; F204-L237 HydrophobicContact CD2-CB 4.33Å; F204-L237 HydrophobicContact CE1-CB 3.55Å; F204-L237 HydrophobicContact CE1-CD1 4.28Å; F204-L237 HydrophobicContact CE2-CB 4.44Å; F204-L237 HydrophobicContact CG-CB 3.86Å; F204-L237 HydrophobicContact CG-CD1 4.26Å; F204-L237 HydrophobicContact CZ-CB 4.07Å; F204-L238 VanDerWaalsContact CZ-C 3.45Å; F204-C341 HydrophobicContact CB-CB 3.4Å; F204-C341 HydrophobicContact CD2-CB 3.75Å; F204-C341 HydrophobicContact CG-CB 3.83Å
205E93.1Very high89Confident0 Ų013.9 Ų13.90%09%0.094CC..Hα-helixtrans-64.4-40.2177.3-69.8174.5148.600111.7I201 G203 F207 T208 G209 M414 R467 E468 R498I201-E205 HydrophobicContact CG2-CG 4.16Å; I201-E205 WeakPolarHBondContact O-CB 3.14Å; I201-E205 VanDerWaalsContact O-CG 3.23Å; I201-E205 WeakPolarHBondContact O-CG 3.47Å; I201-E205 PolarHBondContact O-N 3.39Å; G203-E205 VanDerWaalsContact C-N 3.34Å; G203-E205 PolarHBondContact O-N 3.21Å; E205-F207 VanDerWaalsContact C-N 3.26Å; E205-F207 PolarHBondContact O-N 3.28Å; E205-T208 PolarHBondContact O-N 2.7Å; E205-G209 VanDerWaalsContact O-CA 3.3Å; E205-G209 WeakPolarHBondContact O-CA 3.43Å; E205-G209 PolarHBondContact O-N 3.23Å; E205-M414 HydrophobicContact CB-CE 4.48Å; E205-M414 VanDerWaalsContact CD-CE 3.43Å; E205-M414 HydrophobicContact CG-CE 4.44Å; E205-M414 WeakPolarHBondContact OE2-CE 3.4Å; E205-R467 IonicContact OE2-CZ 3.84Å; E205-R467 IonicContact OE2-NE 2.78Å; E205-R467 IonicContact OE2-NH2 3.83Å; E205-R467 PolarHBondContact OE2-NH2 2.84Å; E205-E468 VanDerWaalsContact OE1-OE1 3.05Å; E205-R498 IonicContact OE1-CZ 3.24Å; E205-R498 IonicContact OE1-NH2 2.77Å; E205-R498 PolarHBondContact OE1-NH2 2.78Å
206D94.8Very high88.9Confident0 Ų017.7 Ų17.70%011%0.114CC..Hα-helixtrans-73.6-20.1-179.9-68.65.4000112.7F143 W144 Q145 Y185 E202 G203 F204 R467F143-D206 CarbonylContact C-O 3.5Å; F143-D206 WeakPolarHBondContact CA-O 3.1Å; W144-D206 PolarHBondContact N-O 3.02Å; W144-D206 WeakPolarHBondContact O-CA 3.27Å; Q145-D206 PolarHBondContact NE2-OD2 3.26Å; Y185-D206 HydrophobicContact CE2-CB 3.92Å; Y185-D206 WeakPolarHBondContact CE2-OD2 3.44Å; Y185-D206 PolarHBondContact OH-OD2 3Å; E202-D206 WeakPolarHBondContact O-CB 3.37Å; E202-D206 PolarHBondContact O-N 3.36Å; E202-D206 VanDerWaalsContact O-N 3.17Å; G203-D206 PolarHBondContact O-N 3.49Å; G203-D206 VanDerWaalsContact O-N 3.15Å; F204-D206 VanDerWaalsContact C-N 3.34Å; D206-R467 IonicContact OD1-CZ 2.7Å; D206-R467 VanDerWaalsContact OD1-CZ 3.24Å; D206-R467 IonicContact OD1-NH1 3.48Å; D206-R467 PolarHBondContact OD1-NH1 2.82Å; D206-R467 IonicContact OD1-NH2 3.8Å; D206-R467 PolarHBondContact OD1-NH2 3.18Å; D206-R467 IonicContact OD2-CZ 3.28Å; D206-R467 IonicContact OD2-NH1 2.65Å; D206-R467 PolarHBondContact OD2-NH1 2.77Å
207F93.3Very high89Confident1 Ų116 Ų160%0.00410%0.101CC..Hα-helixtrans-92-18.3175.3-60.8-24.6000113.8L107 A110 I111 L114 V124 F143 W149 G203 F204 E205L107-F207 HydrophobicContact CD1-CE1 4.42Å; L107-F207 HydrophobicContact CD1-CE2 4.28Å; L107-F207 HydrophobicContact CD1-CZ 3.6Å; A110-F207 HydrophobicContact CB-CD2 4.09Å; A110-F207 HydrophobicContact CB-CE2 3.67Å; I111-F207 HydrophobicContact CB-CE2 4.39Å; I111-F207 HydrophobicContact CD1-CZ 4.41Å; I111-F207 HydrophobicContact CG1-CE2 3.61Å; I111-F207 HydrophobicContact CG1-CZ 3.55Å; L114-F207 HydrophobicContact CB-CD2 4.39Å; L114-F207 HydrophobicContact CD1-CB 4.14Å; L114-F207 HydrophobicContact CD2-CB 4.2Å; L114-F207 HydrophobicContact CD2-CD2 4.07Å; L114-F207 HydrophobicContact CD2-CG 4.04Å; V124-F207 HydrophobicContact CG1-CD1 4.06Å; V124-F207 HydrophobicContact CG1-CE1 4.47Å; V124-F207 HydrophobicContact CG2-CB 3.94Å; V124-F207 HydrophobicContact CG2-CD1 4.23Å; V124-F207 HydrophobicContact CG2-CG 4.39Å; V124-F207 VanDerWaalsContact CG2-O 3.29Å; V124-F207 WeakPolarHBondContact CG2-O 3.33Å; F143-F207 HydrophobicContact CD1-CD1 4.09Å; F143-F207 AromaticContact CD1-CE1 3.95Å; F143-F207 HydrophobicContact CD1-CE1 3.95Å; F143-F207 HydrophobicContact CE1-CD1 4.33Å; F143-F207 AromaticContact CE1-CE1 3.83Å; F143-F207 HydrophobicContact CE1-CE1 3.83Å; W149-F207 WeakPolarHBondContact CH2-O 3.42Å; G203-F207 WeakPolarHBondContact O-CB 3.32Å; G203-F207 WeakPolarHBondContact O-CD2 3.38Å; G203-F207 WeakPolarHBondContact O-CG 3.21Å; G203-F207 PolarHBondContact O-N 2.88Å; F204-F207 PolarHBondContact O-N 3.38Å; E205-F207 VanDerWaalsContact C-N 3.26Å; E205-F207 PolarHBondContact O-N 3.28Å
208T89.5Confident89.2Confident0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-127.8-25.4-171.165.70000114.3L120 F204 E205 G210 L237 L343 S347L120-T208 HydrophobicContact CD1-CG2 4.03Å; F204-T208 WeakPolarHBondContact O-CB 3.16Å; F204-T208 WeakPolarHBondContact O-CG2 3.41Å; F204-T208 PolarHBondContact O-N 2.8Å; F204-T208 PolarHBondContact O-OG1 3.38Å; E205-T208 PolarHBondContact O-N 2.7Å; T208-G210 PolarHBondContact O-N 2.84Å; T208-G210 PolarHBondContact OG1-N 3.49Å; T208-L237 HydrophobicContact CG2-CD1 3.51Å; T208-L237 HydrophobicContact CG2-CG 4.14Å; T208-L343 HydrophobicContact CG2-CD2 3.78Å; T208-S347 PolarHBondContact O-OG 3.47Å
209G89Confident89.4Confident2 Ų228.3 Ų28.32%0.02113%0.126CC..  trans64.211.6-163.200000114W144 E205 S344W144-G209 VanDerWaalsContact CD1-CA 3.45Å; W144-G209 VanDerWaalsContact CD2-CA 3.49Å; E205-G209 VanDerWaalsContact O-CA 3.3Å; E205-G209 WeakPolarHBondContact O-CA 3.43Å; E205-G209 PolarHBondContact O-N 3.23Å; G209-S344 WeakPolarHBondContact O-CB 3.25Å
210G87.5Confident89.5Confident0 Ų029.5 Ų29.50%013%0.133CC..  trans-71.7179.6177.800000113.5T208 N342 R498T208-G210 PolarHBondContact O-N 2.84Å; T208-G210 PolarHBondContact OG1-N 3.49Å; G210-N342 CarbonylContact C-O 3.52Å; G210-N342 WeakPolarHBondContact CA-O 3.24Å; G210-R498 PolarHBondContact O-NH1 2.82Å
211I82.9Confident89.2Confident1 Ų131.8 Ų31.81%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-114.2138.6174.9-174.3157.7000110.6C341 N342 L410 F500I211-C341 CarbonylContact O-C 3.47Å; I211-N342 HydrophobicContact CG2-CB 4.48Å; I211-N342 PolarHBondContact N-O 3Å; I211-N342 PolarHBondContact O-N 3.4Å; I211-L410 HydrophobicContact CD1-CB 3.63Å; I211-L410 HydrophobicContact CD1-CD2 4.33Å; I211-L410 HydrophobicContact CG1-CD2 4.45Å; I211-L410 HydrophobicContact CG2-CD2 4.29Å; I211-F500 HydrophobicContact CB-CD1 4.38Å; I211-F500 HydrophobicContact CB-CD2 3.85Å; I211-F500 HydrophobicContact CB-CE1 4.08Å; I211-F500 HydrophobicContact CB-CE2 3.5Å; I211-F500 VanDerWaalsContact CB-CE2 3.5Å; I211-F500 HydrophobicContact CB-CG 4.27Å; I211-F500 HydrophobicContact CB-CZ 3.63Å; I211-F500 HydrophobicContact CD1-CD2 3.24Å; I211-F500 HydrophobicContact CD1-CE2 3.53Å; I211-F500 HydrophobicContact CD1-CG 4.03Å; I211-F500 HydrophobicContact CG1-CD2 4.11Å; I211-F500 HydrophobicContact CG1-CE2 4.01Å; I211-F500 HydrophobicContact CG2-CD1 3.85Å; I211-F500 HydrophobicContact CG2-CD2 4.01Å; I211-F500 HydrophobicContact CG2-CE1 3.88Å; I211-F500 HydrophobicContact CG2-CE2 4.04Å; I211-F500 HydrophobicContact CG2-CG 3.9Å; I211-F500 HydrophobicContact CG2-CZ 3.97Å
212S84.3Confident88.8Confident0 Ų035.9 Ų35.90%019%0.192CC..EExtended strand (participates in β ladder)trans-103.6140.8-176.8-57.90000112.9I201 I340 C341 S470I201-S212 VanDerWaalsContact CG1-CB 3.48Å; I201-S212 VanDerWaalsContact CG2-CB 3.41Å; I201-S212 WeakPolarHBondContact CG2-OG 3.49Å; S212-I340 CarbonylContact C-O 3.48Å; S212-I340 VanDerWaalsContact CA-O 3.27Å; S212-I340 WeakPolarHBondContact CA-O 3.4Å; S212-C341 WeakPolarHBondContact OG-CB 3.31Å; S212-C341 PolarHBondContact OG-SG 2.95Å; S212-S470 WeakPolarHBondContact O-CB 3.4Å; S212-S470 PolarHBondContact O-OG 3Å
213E82.7Confident88.4Confident17 Ų1739.6 Ų39.68%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-115.2147.7173.2-66.4-173.9-100.400110.2Y215 E339 I340 N342 L410 R472E213-Y215 HydrophobicContact CB-CE2 4.16Å; E213-E339 WeakPolarHBondContact O-CA 3.17Å; E213-I340 PolarHBondContact N-O 3.29Å; E213-I340 PolarHBondContact O-N 3.31Å; E213-N342 PolarHBondContact OE1-ND2 3.03Å; E213-L410 HydrophobicContact CG-CD2 3.49Å; E213-L410 VanDerWaalsContact CG-CD2 3.49Å; E213-R472 VanDerWaalsContact CD-NH2 3.27Å; E213-R472 IonicContact OE1-CZ 2.75Å; E213-R472 IonicContact OE1-NH2 3.23Å; E213-R472 PolarHBondContact OE1-NH2 3.31Å; E213-R472 IonicContact OE2-CZ 2.84Å; E213-R472 VanDerWaalsContact OE2-CZ 3.27Å; E213-R472 IonicContact OE2-NE 3.59Å; E213-R472 PolarHBondContact OE2-NE 3.05Å; E213-R472 IonicContact OE2-NH2 3.89Å; E213-R472 PolarHBondContact OE2-NH2 2.88Å
214F85.3Confident88.2Confident71 Ų7139.7 Ų39.731%0.31122%0.216SC..EExtended strand (participates in β ladder)trans-114.4136.4178.6-67.5-90.8000110.5I201 E339I201-F214 HydrophobicContact CD1-CD1 3.76Å; I201-F214 HydrophobicContact CD1-CD2 4.1Å; I201-F214 HydrophobicContact CD1-CE1 3.18Å; I201-F214 HydrophobicContact CD1-CE2 3.54Å; I201-F214 HydrophobicContact CD1-CG 4.21Å; I201-F214 HydrophobicContact CD1-CZ 3.06Å; I201-F214 HydrophobicContact CG1-CZ 4.37Å; F214-E339 HydrophobicContact CD1-CG 3.88Å; F214-E339 HydrophobicContact CE1-CG 3.92Å
215Y87.3Confident88.1Confident38 Ų3840.3 Ų40.315%0.14922%0.219CC..EExtended strand (participates in β ladder)trans-122.2124.6171.6-64-90.2000110.2E213 L217 P221 L224 I227 L338 I340E213-Y215 HydrophobicContact CB-CE2 4.16Å; Y215-L217 PolarHBondContact O-N 3.15Å; Y215-P221 HydrophobicContact CD1-CG 4.13Å; Y215-P221 HydrophobicContact CE1-CG 4.23Å; Y215-L224 HydrophobicContact CD1-CD1 3.97Å; Y215-L224 HydrophobicContact CD2-CD1 4.44Å; Y215-L224 HydrophobicContact CE1-CD1 4.41Å; Y215-L224 HydrophobicContact CG-CD1 3.99Å; Y215-I227 HydrophobicContact CE1-CD1 4.32Å; Y215-L338 HydrophobicContact CD2-CD2 4.2Å; Y215-L338 PolarHBondContact N-O 3.33Å; Y215-L338 PolarHBondContact O-N 3.39Å; Y215-I340 HydrophobicContact CD2-CD1 4.11Å; Y215-I340 HydrophobicContact CD2-CG1 4.27Å; Y215-I340 HydrophobicContact CE2-CD1 3.7Å; Y215-I340 HydrophobicContact CE2-CG1 4.11Å
216D89.9Confident87.5Confident80 Ų8045.3 Ų45.343%0.42824%0.242SC..EExtended strand (participates in β ladder)trans-76.9111.6169.4-179.7-2.7000109.1R218 K219D216-R218 PolarHBondContact O-N 2.98Å; D216-R218 VanDerWaalsContact OD1-CB 3.25Å; D216-R218 WeakPolarHBondContact OD1-CB 3.29Å; D216-R218 WeakPolarHBondContact OD1-CG 3.3Å; D216-R218 PolarHBondContact OD1-N 2.85Å; D216-K219 CarbonylContact O-C 3.36Å; D216-K219 PolarHBondContact O-N 3.43Å
217L93.1Very high86.9Confident2 Ų247.5 Ų47.51%0.0125%0.253CS..THydrogen-bonded Turntrans-73.7-10.3-176.8-61.9178.9000113.1Y215 K219 P220 L224 F331 L332 F335 S336 L338Y215-L217 PolarHBondContact O-N 3.15Å; L217-K219 VanDerWaalsContact C-N 3.29Å; L217-P220 WeakPolarHBondContact O-CD 3.46Å; L217-L224 HydrophobicContact CD2-CD2 3.51Å; L217-F331 HydrophobicContact CD1-CD1 4.46Å; L217-F331 HydrophobicContact CD1-CE1 3.66Å; L217-F331 HydrophobicContact CD1-CE2 4.07Å; L217-F331 HydrophobicContact CD1-CZ 3.43Å; L217-F331 VanDerWaalsContact CD1-CZ 3.43Å; L217-F331 HydrophobicContact CD2-CE1 3.87Å; L217-F331 HydrophobicContact CD2-CZ 4.31Å; L217-F331 HydrophobicContact CG-CE1 4.42Å; L217-L332 HydrophobicContact CB-CD2 4.39Å; L217-L332 HydrophobicContact CD2-CD2 3.99Å; L217-F335 HydrophobicContact CD1-CB 3.49Å; L217-F335 VanDerWaalsContact CD1-CB 3.49Å; L217-S336 PolarHBondContact N-O 3.26Å; L217-L338 HydrophobicContact CD1-CB 4.26Å; L217-L338 HydrophobicContact CD2-CB 3.8Å; L217-L338 HydrophobicContact CG-CB 4.17Å
218R90.1Very high86.8Confident165 Ų16547.4 Ų47.462%0.62325%0.253SS*.THydrogen-bonded Turntrans-77.6-19.8170.2-55.6177.1-176.6172.25.7111.9D216 S336D216-R218 PolarHBondContact O-N 2.98Å; D216-R218 VanDerWaalsContact OD1-CB 3.25Å; D216-R218 WeakPolarHBondContact OD1-CB 3.29Å; D216-R218 WeakPolarHBondContact OD1-CG 3.3Å; D216-R218 PolarHBondContact OD1-N 2.85Å; R218-S336 PolarHBondContact NH2-OG 3.03Å
219K90.1Very high86.7Confident175 Ų17551.1 Ų51.176%0.76127%0.267SS*.SBendtrans-135.759.6176.4-63.5-178.6-177.4176.50110.3D216 L217D216-K219 CarbonylContact O-C 3.36Å; D216-K219 PolarHBondContact O-N 3.43Å; L217-K219 VanDerWaalsContact C-N 3.29Å
220P88.1Confident86.2Confident46 Ų4657.3 Ų57.330%0.29929%0.293SS..  trans-73.4146.1-174.632.8-33.1000110.1L217 L224 L332L217-P220 WeakPolarHBondContact O-CD 3.46Å; P220-L224 HydrophobicContact CB-CB 4.39Å; P220-L224 HydrophobicContact CB-CD2 3.55Å; P220-L332 HydrophobicContact CB-CD2 4.02Å; P220-L332 HydrophobicContact CG-CD1 4.15Å; P220-L332 HydrophobicContact CG-CD2 4Å
221P83.4Confident86Confident51 Ų5157.6 Ų57.633%0.33130%0.296SS..  trans-63.5145.7167.626.5-31.4000109.8Y215 T223 L224 I227Y215-P221 HydrophobicContact CD1-CG 4.13Å; Y215-P221 HydrophobicContact CE1-CG 4.23Å; P221-T223 PolarHBondContact O-N 2.97Å; P221-L224 HydrophobicContact CG-CB 4Å; P221-L224 HydrophobicContact CG-CD1 4.22Å; P221-L224 VanDerWaalsContact O-CB 3.27Å; P221-L224 WeakPolarHBondContact O-CB 3.25Å; P221-L224 PolarHBondContact O-N 3.48Å; P221-I227 HydrophobicContact CG-CD1 4.19Å
222G82.5Confident86.1Confident93 Ų9359.4 Ų59.496%0.95931%0.305SS*.THydrogen-bonded Turntrans-58.6-21179.900000113.9
223T83.9Confident86Confident89 Ų8968.7 Ų68.755%0.54634%0.34SS..THydrogen-bonded Turntrans-92.93.3179540000114.2P221 Y225 H226 I227P221-T223 PolarHBondContact O-N 2.97Å; T223-Y225 VanDerWaalsContact C-N 3.31Å; T223-Y225 PolarHBondContact O-N 3.4Å; T223-Y225 VanDerWaalsContact O-N 3.15Å; T223-H226 WeakPolarHBondContact O-CA 3.28Å; T223-H226 WeakPolarHBondContact O-CB 3.3Å; T223-H226 PolarHBondContact O-N 2.83Å; T223-I227 PolarHBondContact O-N 2.85Å; T223-I227 VanDerWaalsContact O-N 3.12Å
224L88.4Confident85.6Confident2 Ų269.7 Ų69.71%0.0135%0.349CS..Hα-helixtrans-53.4-41.8-170.4-175.260.7000114.1Y215 L217 P220 P221 H226 I227 I228 F328 L332 L338Y215-L224 HydrophobicContact CD1-CD1 3.97Å; Y215-L224 HydrophobicContact CD2-CD1 4.44Å; Y215-L224 HydrophobicContact CE1-CD1 4.41Å; Y215-L224 HydrophobicContact CG-CD1 3.99Å; L217-L224 HydrophobicContact CD2-CD2 3.51Å; P220-L224 HydrophobicContact CB-CB 4.39Å; P220-L224 HydrophobicContact CB-CD2 3.55Å; P221-L224 HydrophobicContact CG-CB 4Å; P221-L224 HydrophobicContact CG-CD1 4.22Å; P221-L224 VanDerWaalsContact O-CB 3.27Å; P221-L224 WeakPolarHBondContact O-CB 3.25Å; P221-L224 PolarHBondContact O-N 3.48Å; L224-H226 VanDerWaalsContact C-N 3.27Å; L224-H226 PolarHBondContact O-N 3.4Å; L224-I227 WeakPolarHBondContact O-CB 3.4Å; L224-I227 PolarHBondContact O-N 3.4Å; L224-I227 VanDerWaalsContact O-N 3.14Å; L224-I228 HydrophobicContact CD1-CG1 4.5Å; L224-I228 HydrophobicContact CG-CD1 4.1Å; L224-I228 WeakPolarHBondContact O-CG1 3.31Å; L224-I228 PolarHBondContact O-N 3.31Å; L224-F328 HydrophobicContact CB-CZ 4.26Å; L224-F328 HydrophobicContact CD2-CZ 4.21Å; L224-F328 HydrophobicContact CG-CZ 4.2Å; L224-L332 HydrophobicContact CD2-CD2 4.08Å; L224-L338 HydrophobicContact CD1-CD2 3.84Å; L224-L338 HydrophobicContact CG-CD2 4.46Å
225Y90.4Very high85.3Confident14 Ų1467 Ų676%0.05534%0.341CS..Hα-helixtrans-58.8-40.2177.7-175.4-98.3000112.4T223 I228 R229 V269 E270 K280 F328T223-Y225 VanDerWaalsContact C-N 3.31Å; T223-Y225 PolarHBondContact O-N 3.4Å; T223-Y225 VanDerWaalsContact O-N 3.15Å; Y225-I228 PolarHBondContact O-N 2.99Å; Y225-R229 WeakPolarHBondContact O-CB 3.4Å; Y225-R229 PolarHBondContact O-N 3.4Å; Y225-V269 HydrophobicContact CE2-CB 3.95Å; Y225-V269 HydrophobicContact CE2-CG1 4.13Å; Y225-E270 PolarHBondContact OH-N 3.31Å; Y225-E270 PolarHBondContact OH-O 3.2Å; Y225-K280 HydrophobicContact CD1-CD 3.84Å; Y225-K280 HydrophobicContact CD1-CG 4.31Å; Y225-K280 HydrophobicContact CD2-CB 4.13Å; Y225-K280 HydrophobicContact CD2-CD 4.16Å; Y225-K280 HydrophobicContact CD2-CG 4.44Å; Y225-K280 HydrophobicContact CE1-CB 4.42Å; Y225-K280 HydrophobicContact CE1-CD 4Å; Y225-K280 HydrophobicContact CE1-CG 3.95Å; Y225-K280 HydrophobicContact CE2-CB 3.69Å; Y225-K280 HydrophobicContact CE2-CD 4.33Å; Y225-K280 HydrophobicContact CE2-CG 4.12Å; Y225-K280 HydrophobicContact CG-CD 3.9Å; Y225-F328 HydrophobicContact CD2-CB 4.26Å; Y225-F328 HydrophobicContact CD2-CD1 4.09Å; Y225-F328 AromaticContact CD2-CD2 3.74Å; Y225-F328 HydrophobicContact CD2-CD2 3.74Å; Y225-F328 HydrophobicContact CD2-CE1 4.38Å; Y225-F328 HydrophobicContact CD2-CE2 4.05Å; Y225-F328 AromaticContact CD2-CG 3.76Å; Y225-F328 HydrophobicContact CD2-CG 3.76Å; Y225-F328 HydrophobicContact CD2-CZ 4.36Å; Y225-F328 HydrophobicContact CE2-CD2 4.44Å; Y225-F328 HydrophobicContact CE2-CG 4.44Å
226H80.8Confident85.2Confident104 Ų10465.7 Ų65.748%0.48134%0.337SS..Hα-helixtrans-70.1-37.5177.3-171.582.1000111.6T223 L224 R229 K230T223-H226 WeakPolarHBondContact O-CA 3.28Å; T223-H226 WeakPolarHBondContact O-CB 3.3Å; T223-H226 PolarHBondContact O-N 2.83Å; L224-H226 VanDerWaalsContact C-N 3.27Å; L224-H226 PolarHBondContact O-N 3.4Å; H226-R229 PolarHBondContact CE1-NH2 2.66Å; H226-R229 PolarHBondContact ND1-NH2 3.01Å; H226-R229 PolarHBondContact O-N 3.1Å; H226-K230 WeakPolarHBondContact O-CB 3.5Å; H226-K230 PolarHBondContact O-N 2.77Å
227I83.4Confident85.3Confident46 Ų4662 Ų6224%0.23632%0.318CS..Hα-helixtrans-58.8-49.6174.1-62.7173.6000110Y215 P221 T223 L224 R229 K230 A231 I340Y215-I227 HydrophobicContact CE1-CD1 4.32Å; P221-I227 HydrophobicContact CG-CD1 4.19Å; T223-I227 PolarHBondContact O-N 2.85Å; T223-I227 VanDerWaalsContact O-N 3.12Å; L224-I227 WeakPolarHBondContact O-CB 3.4Å; L224-I227 PolarHBondContact O-N 3.4Å; L224-I227 VanDerWaalsContact O-N 3.14Å; I227-R229 PolarHBondContact O-N 3.33Å; I227-K230 PolarHBondContact O-N 3.33Å; I227-A231 WeakPolarHBondContact O-CB 3.43Å; I227-A231 PolarHBondContact O-N 2.61Å; I227-I340 HydrophobicContact CG2-CD1 3.99Å
228I89.8Confident85.3Confident0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-58.5-47.9177.3-68167.2000110.8L224 Y225 K230 A231 L232 L238 V266 V269 I282 F328 L338L224-I228 HydrophobicContact CD1-CG1 4.5Å; L224-I228 HydrophobicContact CG-CD1 4.1Å; L224-I228 WeakPolarHBondContact O-CG1 3.31Å; L224-I228 PolarHBondContact O-N 3.31Å; Y225-I228 PolarHBondContact O-N 2.99Å; I228-K230 VanDerWaalsContact C-N 3.34Å; I228-K230 PolarHBondContact O-N 2.86Å; I228-A231 PolarHBondContact O-N 3.46Å; I228-L232 HydrophobicContact CG2-CD1 3.89Å; I228-L232 WeakPolarHBondContact O-CG 3.4Å; I228-L232 PolarHBondContact O-N 2.81Å; I228-L238 HydrophobicContact CB-CD2 4.27Å; I228-L238 HydrophobicContact CG1-CD2 4.32Å; I228-L238 HydrophobicContact CG2-CD2 3.7Å; I228-V266 HydrophobicContact CG2-CG1 4.28Å; I228-V269 HydrophobicContact CB-CG1 4.44Å; I228-V269 HydrophobicContact CG2-CG1 3.44Å; I228-V269 VanDerWaalsContact CG2-CG1 3.44Å; I228-V269 HydrophobicContact CG2-CG2 4.33Å; I228-I282 HydrophobicContact CD1-CD1 4.34Å; I228-F328 HydrophobicContact CD1-CE2 3.81Å; I228-F328 HydrophobicContact CD1-CZ 4.37Å; I228-L338 HydrophobicContact CD1-CD2 3.76Å; I228-L338 HydrophobicContact CG1-CD2 3.68Å
229R87.1Confident85.5Confident78 Ų7854.1 Ų54.129%0.29429%0.288SS..Hα-helixtrans-60.5-42.8179.3-169.5174.370.3178.33.3112.2Y225 H226 I227 R233 V269Y225-R229 WeakPolarHBondContact O-CB 3.4Å; Y225-R229 PolarHBondContact O-N 3.4Å; H226-R229 PolarHBondContact CE1-NH2 2.66Å; H226-R229 PolarHBondContact ND1-NH2 3.01Å; H226-R229 PolarHBondContact O-N 3.1Å; I227-R229 PolarHBondContact O-N 3.33Å; R229-R233 WeakPolarHBondContact O-CG 3.25Å; R229-R233 PolarHBondContact O-N 3.22Å; R229-V269 HydrophobicContact CB-CG2 3.62Å; R229-V269 HydrophobicContact CG-CG2 3.83Å
230K78.9Confident85.7Confident131 Ų13145.8 Ų45.857%0.5725%0.252SS*.Hα-helixtrans-64.3-46.3176.3-175177.2179.61780110.4H226 I227 I228 L232 R233 S234H226-K230 WeakPolarHBondContact O-CB 3.5Å; H226-K230 PolarHBondContact O-N 2.77Å; I227-K230 PolarHBondContact O-N 3.33Å; I228-K230 VanDerWaalsContact C-N 3.34Å; I228-K230 PolarHBondContact O-N 2.86Å; K230-L232 PolarHBondContact O-N 2.95Å; K230-R233 PolarHBondContact O-N 3.05Å; K230-S234 WeakPolarHBondContact O-CB 3.34Å; K230-S234 PolarHBondContact O-N 3.02Å; K230-S234 PolarHBondContact O-OG 3.33Å; K230-S234 VanDerWaalsContact O-OG 3.09Å
231A83.2Confident86Confident7 Ų744.5 Ų44.56%0.05824%0.244CC..Hα-helixtrans-59.4-47.9-179.700000112I227 I228 R233 S234 G235 S236 L238 I340I227-A231 WeakPolarHBondContact O-CB 3.43Å; I227-A231 PolarHBondContact O-N 2.61Å; I228-A231 PolarHBondContact O-N 3.46Å; A231-R233 PolarHBondContact O-N 3.21Å; A231-S234 PolarHBondContact O-N 3.29Å; A231-G235 PolarHBondContact O-N 3.2Å; A231-S236 VanDerWaalsContact O-CB 3.29Å; A231-S236 WeakPolarHBondContact O-CB 3.37Å; A231-S236 PolarHBondContact O-N 3.45Å; A231-L238 HydrophobicContact CB-CD1 3.88Å; A231-L238 HydrophobicContact CB-CD2 4.32Å; A231-L238 HydrophobicContact CB-CG 4.49Å; A231-I340 HydrophobicContact CB-CD1 4.39Å; A231-I340 HydrophobicContact CB-CG2 3.86Å
232L85.1Confident86.4Confident38 Ų3842.7 Ų42.720%0.19923%0.232CC..Hα-helixtrans-61-42.5176.9-73.5166.2000112.2I228 K230 S234 G235 L238 V266 V269I228-L232 HydrophobicContact CG2-CD1 3.89Å; I228-L232 WeakPolarHBondContact O-CG 3.4Å; I228-L232 PolarHBondContact O-N 2.81Å; K230-L232 PolarHBondContact O-N 2.95Å; L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.16Å; L232-G235 PolarHBondContact O-N 2.9Å; L232-G235 VanDerWaalsContact O-N 3.11Å; L232-L238 HydrophobicContact CD2-CD1 3.94Å; L232-L238 HydrophobicContact CD2-CD2 4.39Å; L232-L238 HydrophobicContact CG-CD1 4.11Å; L232-L238 HydrophobicContact CG-CD2 4.1Å; L232-V266 HydrophobicContact CD1-CG1 4.44Å; L232-V269 HydrophobicContact CD1-CG1 4.26Å; L232-V269 HydrophobicContact CD1-CG2 3.98Å
233R81.6Confident86.6Confident195 Ų19540.5 Ų40.574%0.73620%0.198SC*.Hα-helixtrans-65.8-34.5176.7-73.7-178.7-176.1-164-0.5113R229 K230 A231 G235R229-R233 WeakPolarHBondContact O-CG 3.25Å; R229-R233 PolarHBondContact O-N 3.22Å; K230-R233 PolarHBondContact O-N 3.05Å; A231-R233 PolarHBondContact O-N 3.21Å; R233-G235 PolarHBondContact O-N 3.07Å
234S74.9Confident86.6Confident38 Ų3838.8 Ų38.827%0.26619%0.187SC..THydrogen-bonded Turntrans-76.5-2.8175-60.80000113.2K230 A231 L232 S236K230-S234 WeakPolarHBondContact O-CB 3.34Å; K230-S234 PolarHBondContact O-N 3.02Å; K230-S234 PolarHBondContact O-OG 3.33Å; K230-S234 VanDerWaalsContact O-OG 3.09Å; A231-S234 PolarHBondContact O-N 3.29Å; L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.16Å; S234-S236 VanDerWaalsContact C-N 3.32Å
235G79.6Confident86.1Confident15 Ų1544.1 Ų44.116%0.15523%0.225CC..THydrogen-bonded Turntrans76.615.5-178.700000114.4N117 A231 L232 R233N117-G235 PolarHBondContact ND2-O 3Å; A231-G235 PolarHBondContact O-N 3.2Å; L232-G235 PolarHBondContact O-N 2.9Å; L232-G235 VanDerWaalsContact O-N 3.11Å; R233-G235 PolarHBondContact O-N 3.07Å
236S86Confident85.4Confident10 Ų1046.1 Ų46.17%0.0724%0.24CC..  trans-60149.8170.4-63.60000110.1A231 S234 L238 C341 N342A231-S236 VanDerWaalsContact O-CB 3.29Å; A231-S236 WeakPolarHBondContact O-CB 3.37Å; A231-S236 PolarHBondContact O-N 3.45Å; S234-S236 VanDerWaalsContact C-N 3.32Å; S236-L238 WeakPolarHBondContact O-CD1 3.38Å; S236-C341 WeakPolarHBondContact CA-O 3.49Å; S236-C341 VanDerWaalsContact CB-O 3.23Å; S236-C341 WeakPolarHBondContact CB-O 3.49Å; S236-N342 PolarHBondContact OG-OD1 3.24Å; S236-N342 VanDerWaalsContact OG-OD1 3.11Å
237L91.1Very high84.9Confident3 Ų345.6 Ų45.62%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-93.5130.1176.2-51.9-175.4000109.4S113 L120 F204 T208 C341S113-L237 WeakPolarHBondContact O-CD2 3.46Å; L120-L237 HydrophobicContact CD1-CD2 4.48Å; F204-L237 HydrophobicContact CB-CB 4.45Å; F204-L237 HydrophobicContact CB-CD1 4.29Å; F204-L237 HydrophobicContact CD1-CB 3.44Å; F204-L237 VanDerWaalsContact CD1-CB 3.44Å; F204-L237 HydrophobicContact CD1-CD1 3.6Å; F204-L237 HydrophobicContact CD1-CG 4.19Å; F204-L237 HydrophobicContact CD2-CB 4.33Å; F204-L237 HydrophobicContact CE1-CB 3.55Å; F204-L237 HydrophobicContact CE1-CD1 4.28Å; F204-L237 HydrophobicContact CE2-CB 4.44Å; F204-L237 HydrophobicContact CG-CB 3.86Å; F204-L237 HydrophobicContact CG-CD1 4.26Å; F204-L237 HydrophobicContact CZ-CB 4.07Å; T208-L237 HydrophobicContact CG2-CD1 3.51Å; T208-L237 HydrophobicContact CG2-CG 4.14Å; L237-C341 HydrophobicContact CB-CB 4.33Å; L237-C341 PolarHBondContact N-O 3.3Å; L237-C341 VanDerWaalsContact N-O 3.11Å; L237-C341 PolarHBondContact O-N 2.91Å
238L93.1Very high84.3Confident1 Ų148 Ų481%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-121.7139.6-176.5-72.275000110.7S113 F204 I228 A231 L232 S236 V266 E339 I340S113-L238 PolarHBondContact OG-O 3.39Å; S113-L238 VanDerWaalsContact OG-O 3.06Å; F204-L238 VanDerWaalsContact CZ-C 3.45Å; I228-L238 HydrophobicContact CB-CD2 4.27Å; I228-L238 HydrophobicContact CG1-CD2 4.32Å; I228-L238 HydrophobicContact CG2-CD2 3.7Å; A231-L238 HydrophobicContact CB-CD1 3.88Å; A231-L238 HydrophobicContact CB-CD2 4.32Å; A231-L238 HydrophobicContact CB-CG 4.49Å; L232-L238 HydrophobicContact CD2-CD1 3.94Å; L232-L238 HydrophobicContact CD2-CD2 4.39Å; L232-L238 HydrophobicContact CG-CD1 4.11Å; L232-L238 HydrophobicContact CG-CD2 4.1Å; S236-L238 WeakPolarHBondContact O-CD1 3.38Å; L238-V266 HydrophobicContact CB-CB 3.7Å; L238-V266 HydrophobicContact CB-CG1 4.48Å; L238-V266 HydrophobicContact CB-CG2 4.17Å; L238-V266 HydrophobicContact CD2-CB 4.37Å; L238-V266 HydrophobicContact CD2-CG1 4.32Å; L238-V266 PolarHBondContact O-N 3.38Å; L238-V266 VanDerWaalsContact O-N 3.11Å; L238-E339 WeakPolarHBondContact CA-O 3.11Å; L238-I340 HydrophobicContact CD1-CG2 4.28Å; L238-I340 HydrophobicContact CD2-CD1 4.37Å; L238-I340 HydrophobicContact CD2-CG1 4.34Å; L238-I340 HydrophobicContact CG-CB 4.5Å; L238-I340 HydrophobicContact CG-CG1 4.1Å; L238-I340 HydrophobicContact CG-CG2 4.2Å
239G94.5Very high83.6Confident0 Ų050.8 Ų50.80%029%0.294CS..EExtended strand (participates in β ladder)trans-140.2158.8174.200000111Y264 E339G239-Y264 CarbonylContact C-O 3.55Å; G239-Y264 WeakPolarHBondContact CA-O 3.25Å; G239-E339 PolarHBondContact N-O 3.17Å; G239-E339 PolarHBondContact O-N 3.02Å
240C94.7Very high82.9Confident1 Ų149.6 Ų49.61%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-145159.9176.359.80000111.2Y264 V266 F331 F335 R337 L338C240-Y264 PolarHBondContact N-O 3.09Å; C240-Y264 PolarHBondContact O-N 3.34Å; C240-V266 HydrophobicContact CB-CG2 4.27Å; C240-F331 HydrophobicContact CB-CE2 3.94Å; C240-F331 HydrophobicContact CB-CZ 4.13Å; C240-F335 HydrophobicContact CB-CD1 4.02Å; C240-R337 WeakPolarHBondContact CA-O 3.05Å; C240-R337 VanDerWaalsContact CB-O 3.25Å; C240-R337 WeakPolarHBondContact CB-O 3.48Å; C240-L338 HydrophobicContact CB-CD1 4.41Å
241S93.6Very high82.8Confident19 Ų1947.8 Ų47.813%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-150.5161.4-179.560.60000112.6H262 S336 R337S241-H262 WeakPolarHBondContact CB-O 3.19Å; S241-S336 PolarHBondContact O-N 2.61Å; S241-R337 PolarHBondContact N-O 3.07Å; S241-R337 PolarHBondContact O-N 2.67Å; S241-R337 VanDerWaalsContact O-N 3.15Å
242I92.2Very high82.8Confident13 Ų1349.2 Ų49.27%0.06731%0.306CS..  trans-107.9120.2176.2-52.7175.6000107.8L258 K260 G261 F335I242-L258 HydrophobicContact CD1-CB 3.75Å; I242-L258 HydrophobicContact CD1-CD1 4.11Å; I242-K260 HydrophobicContact CG2-CB 4.44Å; I242-K260 HydrophobicContact CG2-CG 4.03Å; I242-G261 PolarHBondContact O-N 2.59Å; I242-F335 HydrophobicContact CD1-CD1 4.44Å; I242-F335 HydrophobicContact CD1-CE1 4.23Å; I242-F335 HydrophobicContact CD1-CZ 4.36Å; I242-F335 HydrophobicContact CG1-CD1 3.7Å; I242-F335 HydrophobicContact CG1-CE1 3.88Å; I242-F335 HydrophobicContact CG1-CG 4.14Å; I242-F335 HydrophobicContact CG1-CZ 4.46Å
243D86.8Confident82.9Confident46 Ų4651.3 Ų51.325%0.24632%0.321CS..  trans-66.4143-180-78.26.8000111.1S336 R337D243-S336 PolarHBondContact N-OG 2.96Å; D243-R337 WeakPolarHBondContact OD1-CD 3.32Å; D243-R337 IonicContact OD1-CZ 3.81Å; D243-R337 IonicContact OD1-NE 3.59Å; D243-R337 PolarHBondContact OD1-NE 2.95Å; D243-R337 IonicContact OD1-NH2 2.95Å; D243-R337 PolarHBondContact OD1-NH2 2.67Å; D243-R337 IonicContact OD2-CZ 2.8Å; D243-R337 IonicContact OD2-NE 3.56Å; D243-R337 PolarHBondContact OD2-NE 2.76Å; D243-R337 VanDerWaalsContact OD2-NE 3.08Å; D243-R337 IonicContact OD2-NH2 2.79Å; D243-R337 PolarHBondContact OD2-NH2 3.02Å
244V84.6Confident83.2Confident54 Ų5443.6 Ų43.633%0.32730%0.296SS..  trans-102.3140.5173-70.30000110.6E249 K260V244-E249 HydrophobicContact CB-CB 4.2Å; V244-E249 HydrophobicContact CG1-CB 4.08Å; V244-E249 WeakPolarHBondContact CG1-O 3.29Å; V244-K260 HydrophobicContact CG1-CB 3.6Å
245S77.9Confident83.8Confident114 Ų11453.8 Ų53.880%0.79733%0.328SS*.SBendtrans-80.9-19.9176.1-56.30000112.7
246S75.7Confident84.3Confident55 Ų5556.3 Ų56.339%0.38534%0.336SS..SBendtrans-153.1158.8178.774.30000111.4A248 E249S246-A248 PolarHBondContact O-N 2.94Å; S246-E249 PolarHBondContact O-N 3.26Å
247A70.3Confident84.5Confident94 Ų9460.7 Ų60.778%0.77735%0.354SS*.G310 helixtrans-62.1-23.7177.100000113.3E249 A250A247-E249 VanDerWaalsContact C-N 3.25Å; A247-E249 PolarHBondContact O-N 3.3Å; A247-A250 VanDerWaalsContact O-CB 3.31Å; A247-A250 WeakPolarHBondContact O-CB 3.46Å; A247-A250 PolarHBondContact O-N 2.84Å
248A69.1Low84.6Confident96 Ų9660.6 Ų60.679%0.79335%0.353SS*.G310 helixtrans-73.5-16.8176.500000113.3S246S246-A248 PolarHBondContact O-N 2.94Å
249E75.1Confident84.4Confident58 Ų5860.5 Ų60.527%0.27135%0.353SS..G310 helixtrans-92.7-0.6173.9-70.5-174.3-132.300112.9V244 S246 A247 E251 A252 K260V244-E249 HydrophobicContact CB-CB 4.2Å; V244-E249 HydrophobicContact CG1-CB 4.08Å; V244-E249 WeakPolarHBondContact CG1-O 3.29Å; S246-E249 PolarHBondContact O-N 3.26Å; A247-E249 VanDerWaalsContact C-N 3.25Å; A247-E249 PolarHBondContact O-N 3.3Å; E249-E251 PolarHBondContact O-N 2.75Å; E249-A252 VanDerWaalsContact O-CB 3.27Å; E249-A252 WeakPolarHBondContact O-CB 3.18Å; E249-A252 PolarHBondContact O-N 3.22Å; E249-A252 VanDerWaalsContact O-N 3.14Å; E249-K260 IonicContact OE2-NZ 2.82Å; E249-K260 PolarHBondContact OE2-NZ 3.45Å
250A72.8Confident84.1Confident54 Ų5463.3 Ų63.345%0.44637%0.365SS..THydrogen-bonded Turntrans-61.7130.6174.600000109.9A247 A252A247-A250 VanDerWaalsContact O-CB 3.31Å; A247-A250 WeakPolarHBondContact O-CB 3.46Å; A247-A250 PolarHBondContact O-N 2.84Å; A250-A252 PolarHBondContact O-N 3.48Å; A250-A252 VanDerWaalsContact O-N 3.17Å
251E76.9Confident83.6Confident93 Ų9365 Ų6544%0.43538%0.383SS..THydrogen-bonded Turntrans61.415.5-176.1-58.1178.1175.800114.5E249 T253 V259 K260E249-E251 PolarHBondContact O-N 2.75Å; E251-T253 PolarHBondContact O-N 3.17Å; E251-V259 HydrophobicContact CB-CG1 4.31Å; E251-K260 VanDerWaalsContact CA-O 3.28Å; E251-K260 WeakPolarHBondContact CA-O 3.49Å; E251-K260 PolarHBondContact N-O 2.88Å
252A82.8Confident83.3Confident37 Ų3764.2 Ų64.231%0.30638%0.377SS..PPolyproline II helixtrans-73.7128.9174.900000111.3E249 A250 K260E249-A252 VanDerWaalsContact O-CB 3.27Å; E249-A252 WeakPolarHBondContact O-CB 3.18Å; E249-A252 PolarHBondContact O-N 3.22Å; E249-A252 VanDerWaalsContact O-N 3.14Å; A250-A252 PolarHBondContact O-N 3.48Å; A250-A252 VanDerWaalsContact O-N 3.17Å; A252-K260 PolarHBondContact O-N 2.83Å
253T86.9Confident83.2Confident81 Ų8163.9 Ų63.950%0.49738%0.376SS..BIsolated β-bridgetrans-80.5130.8176.1-43.50000111.5E251 L258E251-T253 PolarHBondContact O-N 3.17Å; T253-L258 CarbonylContact C-O 3.14Å; T253-L258 WeakPolarHBondContact CA-O 3.3Å
254T88.1Confident83.5Confident34 Ų3461.7 Ų61.721%0.20936%0.364CS..PPolyproline II helixtrans-74.5169.8173.973.30000111.2Q256 K257 L258 K260T254-Q256 PolarHBondContact O-N 2.92Å; T254-Q256 VanDerWaalsContact O-N 3.14Å; T254-Q256 PolarHBondContact OG1-N 3.47Å; T254-K257 PolarHBondContact O-N 3.1Å; T254-L258 HydrophobicContact CG2-CB 4.33Å; T254-L258 WeakPolarHBondContact CG2-O 3.28Å; T254-L258 PolarHBondContact N-O 3.03Å; T254-L258 PolarHBondContact OG1-N 3.19Å; T254-L258 VanDerWaalsContact OG1-N 3.17Å; T254-L258 PolarHBondContact OG1-O 3.36Å; T254-K260 HydrophobicContact CG2-CG 4.07Å
255R88Confident83.9Confident252 Ų25259.1 Ų59.195%0.95135%0.348SS*.THydrogen-bonded Turntrans-60.8-22.2174.6-66.5-176.3-179171.90.6113.6K257R255-K257 VanDerWaalsContact C-N 3.35Å
256Q90.4Very high84.7Confident68 Ų6853.7 Ų53.732%0.31831%0.31SS..THydrogen-bonded Turntrans-100.721.5178.7-61.5176.9-64.100111.9T254 L258 W293 S294T254-Q256 PolarHBondContact O-N 2.92Å; T254-Q256 VanDerWaalsContact O-N 3.14Å; T254-Q256 PolarHBondContact OG1-N 3.47Å; Q256-L258 VanDerWaalsContact C-N 3.25Å; Q256-L258 PolarHBondContact O-N 3.02Å; Q256-W293 HydrophobicContact CB-CE3 3.73Å; Q256-W293 HydrophobicContact CB-CH2 4.15Å; Q256-W293 HydrophobicContact CB-CZ3 3.37Å; Q256-W293 VanDerWaalsContact CD-CZ3 3.45Å; Q256-W293 HydrophobicContact CG-CH2 4.31Å; Q256-W293 HydrophobicContact CG-CZ3 3.99Å; Q256-W293 VanDerWaalsContact NE2-CH2 3.29Å; Q256-S294 WeakPolarHBondContact CA-OG 3.5Å; Q256-S294 PolarHBondContact O-N 3.33Å
257K90.7Very high85.5Confident101 Ų10151.4 Ų51.444%0.43929%0.294SS..SBendtrans63.915.8177-64.6-173.6175.3-173.20116.4T254 R255 V291 E292T254-K257 PolarHBondContact O-N 3.1Å; R255-K257 VanDerWaalsContact C-N 3.35Å; K257-V291 HydrophobicContact CB-CG1 4.27Å; K257-V291 WeakPolarHBondContact O-CG1 3.43Å; K257-E292 WeakPolarHBondContact CB-O 3.48Å; K257-E292 WeakPolarHBondContact CD-O 3.21Å
258L91.9Very high86.5Confident1 Ų147.5 Ų47.51%0.00526%0.263CS..PPolyproline II helixtrans-82.6145169.8-59.6176.2000110.9I242 T253 T254 Q256 W293 F324 Q334 F335I242-L258 HydrophobicContact CD1-CB 3.75Å; I242-L258 HydrophobicContact CD1-CD1 4.11Å; T253-L258 CarbonylContact C-O 3.14Å; T253-L258 WeakPolarHBondContact CA-O 3.3Å; T254-L258 HydrophobicContact CG2-CB 4.33Å; T254-L258 WeakPolarHBondContact CG2-O 3.28Å; T254-L258 PolarHBondContact N-O 3.03Å; T254-L258 PolarHBondContact OG1-N 3.19Å; T254-L258 VanDerWaalsContact OG1-N 3.17Å; T254-L258 PolarHBondContact OG1-O 3.36Å; Q256-L258 VanDerWaalsContact C-N 3.25Å; Q256-L258 PolarHBondContact O-N 3.02Å; L258-W293 HydrophobicContact CD1-CE3 3.75Å; L258-W293 HydrophobicContact CD1-CZ3 3.71Å; L258-W293 HydrophobicContact CD2-CB 4.35Å; L258-W293 HydrophobicContact CD2-CE3 4Å; L258-W293 HydrophobicContact CG-CE3 3.75Å; L258-W293 HydrophobicContact CG-CZ3 4.14Å; L258-F324 HydrophobicContact CD2-CE2 4.14Å; L258-F324 HydrophobicContact CD2-CZ 3.7Å; L258-Q334 HydrophobicContact CD1-CB 3.73Å; L258-Q334 HydrophobicContact CD1-CG 4Å; L258-F335 HydrophobicContact CD1-CE2 4.07Å; L258-F335 HydrophobicContact CD1-CZ 4.45Å; L258-F335 HydrophobicContact CD2-CE2 4.49Å; L258-F335 HydrophobicContact CD2-CZ 4.3Å
259V89.1Confident87.7Confident0 Ų043.3 Ų43.30%023%0.228CC..BIsolated β-bridgetrans-101.6127.1-178.3-174.30000109.5E251 H262 Y264 W288E251-V259 HydrophobicContact CB-CG1 4.31Å; V259-H262 HydrophobicContact CB-CB 3.89Å; V259-H262 HydrophobicContact CG1-CB 3.64Å; V259-Y264 WeakPolarHBondContact CB-OH 3.15Å; V259-Y264 PolarHBondContact N-OH 3.33Å; V259-W288 HydrophobicContact CB-CH2 4.39Å; V259-W288 HydrophobicContact CG1-CH2 3.74Å; V259-W288 HydrophobicContact CG1-CZ2 4.11Å; V259-W288 HydrophobicContact CG1-CZ3 4.43Å; V259-W288 HydrophobicContact CG2-CE3 4.22Å; V259-W288 HydrophobicContact CG2-CH2 3.75Å; V259-W288 HydrophobicContact CG2-CZ3 3.56Å
260K88.4Confident88.6Confident59 Ų5944.7 Ų44.726%0.25723%0.234SC..THydrogen-bonded Turntrans-83.3151.7177.5-57.6-170.8-173.3-176.90112.1I242 V244 E249 E251 A252 T254 H262I242-K260 HydrophobicContact CG2-CB 4.44Å; I242-K260 HydrophobicContact CG2-CG 4.03Å; V244-K260 HydrophobicContact CG1-CB 3.6Å; E249-K260 IonicContact OE2-NZ 2.82Å; E249-K260 PolarHBondContact OE2-NZ 3.45Å; E251-K260 VanDerWaalsContact CA-O 3.28Å; E251-K260 WeakPolarHBondContact CA-O 3.49Å; E251-K260 PolarHBondContact N-O 2.88Å; A252-K260 PolarHBondContact O-N 2.83Å; T254-K260 HydrophobicContact CG2-CG 4.07Å; K260-H262 PolarHBondContact O-N 3.08Å
261G83.8Confident89.6Confident37 Ų3746 Ų4638%0.38123%0.231SC..THydrogen-bonded Turntrans65.321.3179.500000113.1I242I242-G261 PolarHBondContact O-N 2.59Å
262H87.3Confident90.4Very high2 Ų241.7 Ų41.71%0.00921%0.211CC..  trans-121.6147.5-173.9-17463.6000110.4C105 S241 V259 K260 Y264 N286 P287 W288C105-H262 WeakPolarHBondContact CB-CE1 3.4Å; C105-H262 WeakPolarHBondContact CB-ND1 3.33Å; C105-H262 PolarHBondContact SG-ND1 3.27Å; C105-H262 VanDerWaalsContact SG-ND1 3.38Å; S241-H262 WeakPolarHBondContact CB-O 3.19Å; V259-H262 HydrophobicContact CB-CB 3.89Å; V259-H262 HydrophobicContact CG1-CB 3.64Å; K260-H262 PolarHBondContact O-N 3.08Å; H262-Y264 HydrophobicContact CB-CE2 4.3Å; H262-Y264 AromaticContact CD2-CE2 3.67Å; H262-Y264 AromaticContact CD2-CZ 3.86Å; H262-N286 PolarHBondContact NE2-OD1 2.68Å; H262-P287 WeakPolarHBondContact NE2-CD 3.32Å; H262-P287 WeakPolarHBondContact NE2-CG 3.13Å; H262-W288 AromaticContact CE1-CD1 3.61Å; H262-W288 AromaticContact CE1-CE2 3.72Å; H262-W288 AromaticContact CE1-NE1 3.2Å; H262-W288 PolarHBondContact CE1-NE1 2.97Å; H262-W288 AromaticContact ND1-NE1 3.99Å; H262-W288 AromaticContact NE2-CD1 3.92Å; H262-W288 AromaticContact NE2-NE1 3.81Å
263A90.4Very high90.9Very high5 Ų544.5 Ų44.54%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-90.8131.8179.400000110.7W106 A109 T200 P287W106-A263 HydrophobicContact CB-CB 4.38Å; A109-A263 HydrophobicContact CB-CB 3.71Å; T200-A263 WeakPolarHBondContact OG1-CB 3.41Å; A263-P287 WeakPolarHBondContact O-CD 3.37Å; A263-P287 VanDerWaalsContact O-CG 3.23Å; A263-P287 WeakPolarHBondContact O-CG 3.21Å
264Y93.4Very high91.1Very high0 Ų043.3 Ų43.30%021%0.209CC..EExtended strand (participates in β ladder)trans-115.9147.8171.9-71.4-98.6000109.5G239 C240 V259 H262 R285 N286 F324 F335G239-Y264 CarbonylContact C-O 3.55Å; G239-Y264 WeakPolarHBondContact CA-O 3.25Å; C240-Y264 PolarHBondContact N-O 3.09Å; C240-Y264 PolarHBondContact O-N 3.34Å; V259-Y264 WeakPolarHBondContact CB-OH 3.15Å; V259-Y264 PolarHBondContact N-OH 3.33Å; H262-Y264 HydrophobicContact CB-CE2 4.3Å; H262-Y264 AromaticContact CD2-CE2 3.67Å; H262-Y264 AromaticContact CD2-CZ 3.86Å; Y264-R285 WeakPolarHBondContact CA-O 3.1Å; Y264-N286 HydrophobicContact CD1-CB 4.13Å; Y264-N286 HydrophobicContact CE1-CB 3.69Å; Y264-F324 HydrophobicContact CD1-CE1 4.36Å; Y264-F324 HydrophobicContact CD1-CZ 4.29Å; Y264-F324 HydrophobicContact CE1-CE1 4.05Å; Y264-F324 HydrophobicContact CE1-CZ 4.11Å; Y264-F335 AromaticContact CD2-CE1 3.74Å; Y264-F335 HydrophobicContact CD2-CE1 3.74Å; Y264-F335 HydrophobicContact CD2-CZ 4.28Å; Y264-F335 HydrophobicContact CE2-CE1 4.26Å; Y264-F335 HydrophobicContact CG-CE1 4.06Å; Y264-F335 HydrophobicContact CG-CZ 4.37Å
265S93.3Very high91.1Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-89.4138.3171.1-55.50000109.8A109 S113 L284 R285A109-S265 WeakPolarHBondContact CA-OG 3.36Å; A109-S265 PolarHBondContact O-OG 3.04Å; S113-S265 VanDerWaalsContact OG-CB 3.28Å; S113-S265 WeakPolarHBondContact OG-CB 3.22Å; S113-S265 PolarHBondContact OG-OG 3.5Å; S265-L284 CarbonylContact O-C 3.59Å; S265-L284 VanDerWaalsContact O-CA 3.25Å; S265-L284 WeakPolarHBondContact O-CA 3.44Å; S265-R285 PolarHBondContact N-O 2.7Å; S265-R285 PolarHBondContact O-N 2.78Å
266V94.8Very high91.1Very high0 Ų036.4 Ų36.40%021%0.208CC..EExtended strand (participates in β ladder)trans-91.7115.6167.1-177.40000107.7I228 L232 L238 C240 I282 L284 L338I228-V266 HydrophobicContact CG2-CG1 4.28Å; L232-V266 HydrophobicContact CD1-CG1 4.44Å; L238-V266 HydrophobicContact CB-CB 3.7Å; L238-V266 HydrophobicContact CB-CG1 4.48Å; L238-V266 HydrophobicContact CB-CG2 4.17Å; L238-V266 HydrophobicContact CD2-CB 4.37Å; L238-V266 HydrophobicContact CD2-CG1 4.32Å; L238-V266 PolarHBondContact O-N 3.38Å; L238-V266 VanDerWaalsContact O-N 3.11Å; C240-V266 HydrophobicContact CB-CG2 4.27Å; V266-I282 HydrophobicContact CG1-CD1 3.78Å; V266-I282 HydrophobicContact CG1-CG1 3.88Å; V266-I282 HydrophobicContact CG2-CD1 4.49Å; V266-L284 HydrophobicContact CB-CD2 4.16Å; V266-L284 HydrophobicContact CG1-CD2 4.3Å; V266-L284 HydrophobicContact CG2-CD2 3.67Å; V266-L338 HydrophobicContact CG2-CD1 3.85Å
267T91.3Very high91.1Very high8 Ų839.5 Ų39.55%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-112.4-3.3-169.768.40000113.9L116 R283 R285 E323L116-T267 HydrophobicContact CD1-CG2 4.19Å; T267-R283 PolarHBondContact N-O 3.14Å; T267-R283 PolarHBondContact O-NH2 3.44Å; T267-R283 WeakPolarHBondContact OG1-CG 3.35Å; T267-R283 PolarHBondContact OG1-NE 2.65Å; T267-R285 HydrophobicContact CG2-CB 3.9Å; T267-E323 WeakPolarHBondContact CB-OE1 3.39Å; T267-E323 PolarHBondContact OG1-OE1 2.88Å
268G91.9Very high91.3Very high11 Ų1139.1 Ų39.111%0.11323%0.23CC..EExtended strand (participates in β ladder)trans-179.5158.1179.300000113.4R283G268-R283 PolarHBondContact O-N 3.16Å
269V94.8Very high91.4Very high9 Ų941.7 Ų41.76%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-141134.7166.5-70.30000108.7Y225 I228 R229 L232 L281 I282Y225-V269 HydrophobicContact CE2-CB 3.95Å; Y225-V269 HydrophobicContact CE2-CG1 4.13Å; I228-V269 HydrophobicContact CB-CG1 4.44Å; I228-V269 HydrophobicContact CG2-CG1 3.44Å; I228-V269 VanDerWaalsContact CG2-CG1 3.44Å; I228-V269 HydrophobicContact CG2-CG2 4.33Å; R229-V269 HydrophobicContact CB-CG2 3.62Å; R229-V269 HydrophobicContact CG-CG2 3.83Å; L232-V269 HydrophobicContact CD1-CG1 4.26Å; L232-V269 HydrophobicContact CD1-CG2 3.98Å; V269-L281 WeakPolarHBondContact CA-O 3.36Å; V269-I282 HydrophobicContact CG1-CB 4.15Å; V269-I282 HydrophobicContact CG1-CD1 4.28Å; V269-I282 HydrophobicContact CG1-CG1 3.88Å
270E94.1Very high91.8Very high87 Ų8746.1 Ų46.141%0.40726%0.262SS..EExtended strand (participates in β ladder)trans-142.7147.1-178.6-77.6-57.2151.200111.6Y225 L281 L315 W325Y225-E270 PolarHBondContact OH-N 3.31Å; Y225-E270 PolarHBondContact OH-O 3.2Å; E270-L281 PolarHBondContact N-O 2.73Å; E270-L281 PolarHBondContact O-N 2.98Å; E270-L315 HydrophobicContact CB-CD1 4.39Å; E270-L315 HydrophobicContact CB-CD2 4.45Å; E270-L315 HydrophobicContact CG-CD2 3.94Å; E270-W325 HydrophobicContact CB-CH2 3.88Å; E270-W325 HydrophobicContact CB-CZ3 4.01Å; E270-W325 HydrophobicContact CG-CH2 3.77Å; E270-W325 HydrophobicContact CG-CZ3 4.37Å
271E93.9Very high92.2Very high80 Ų8043.3 Ų43.337%0.37425%0.25SC..EExtended strand (participates in β ladder)trans-107.5122174.6-163.6172.8115.500109.4P278 E279 K280 K311E271-P278 HydrophobicContact CG-CB 4.19Å; E271-E279 WeakPolarHBondContact CA-O 3.14Å; E271-K280 HydrophobicContact CG-CG 4.39Å; E271-K311 PolarHBondContact O-NZ 3.05Å
272V93.6Very high92.8Very high3 Ų341.6 Ų41.62%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-115.4148.7-178.9-58.60000109.9F274 E279 L281 W297 I307 K311 L315V272-F274 PolarHBondContact O-N 3.02Å; V272-E279 HydrophobicContact CG2-CB 4.08Å; V272-E279 PolarHBondContact N-O 2.75Å; V272-E279 PolarHBondContact O-N 3.33Å; V272-L281 HydrophobicContact CG1-CD1 3.97Å; V272-L281 HydrophobicContact CG2-CD1 3.71Å; V272-L281 HydrophobicContact CG2-CG 4.06Å; V272-W297 HydrophobicContact CG2-CH2 3.99Å; V272-W297 HydrophobicContact CG2-CZ2 4.49Å; V272-W297 HydrophobicContact CG2-CZ3 4.42Å; V272-I307 HydrophobicContact CB-CG2 4.32Å; V272-I307 HydrophobicContact CG2-CG2 4.11Å; V272-K311 HydrophobicContact CG1-CD 4.42Å; V272-L315 HydrophobicContact CG1-CD1 3.74Å
273D92.3Very high93.2Very high96 Ų9643.5 Ų43.551%0.51324%0.239SC..EExtended strand (participates in β ladder)trans-84.8111.4168.4-175.4-12.6000107.8G276 H277D273-G276 WeakPolarHBondContact OD1-CA 3.47Å; D273-G276 PolarHBondContact OD1-N 2.99Å; D273-H277 PolarHBondContact OD1-N 3.18Å
274F91.2Very high93.4Very high57 Ų5743.2 Ų43.225%0.2524%0.237CC..EExtended strand (participates in β ladder)trans-109.8107.1176.1179-109.5000108.8V272 G276 H277 E279 W297 E303 H306 I307V272-F274 PolarHBondContact O-N 3.02Å; F274-G276 VanDerWaalsContact C-N 3.28Å; F274-G276 PolarHBondContact O-N 3.45Å; F274-H277 PolarHBondContact N-O 3.41Å; F274-H277 PolarHBondContact O-N 2.78Å; F274-H277 VanDerWaalsContact O-N 3.11Å; F274-E279 HydrophobicContact CB-CB 3.98Å; F274-W297 HydrophobicContact CB-CH2 4.16Å; F274-W297 HydrophobicContact CB-CZ2 4.18Å; F274-W297 HydrophobicContact CD1-CZ2 4.49Å; F274-W297 AromaticContact CD2-CH2 3.53Å; F274-W297 HydrophobicContact CD2-CH2 3.53Å; F274-W297 AromaticContact CD2-CZ2 3.73Å; F274-W297 HydrophobicContact CD2-CZ2 3.73Å; F274-W297 HydrophobicContact CE2-CH2 4.13Å; F274-W297 HydrophobicContact CE2-CZ2 4.18Å; F274-W297 HydrophobicContact CG-CH2 4.02Å; F274-W297 AromaticContact CG-CZ2 3.89Å; F274-W297 HydrophobicContact CG-CZ2 3.89Å; F274-E303 HydrophobicContact CE2-CB 3.93Å; F274-E303 HydrophobicContact CE2-CG 4.24Å; F274-E303 HydrophobicContact CZ-CB 4.4Å; F274-E303 HydrophobicContact CZ-CG 4.2Å; F274-H306 HydrophobicContact CD2-CB 3.89Å; F274-H306 HydrophobicContact CE2-CB 3.61Å; F274-I307 HydrophobicContact CB-CG2 4.45Å; F274-I307 HydrophobicContact CD2-CG2 4.19Å
275C89.7Confident93.3Very high83 Ų8343.3 Ų43.356%0.56124%0.237SC*.THydrogen-bonded Turntrans55.134.8179.5-63.70000115
276G87.7Confident93.1Very high57 Ų5743.3 Ų43.359%0.58824%0.237SC*.THydrogen-bonded Turntrans88.17.3-179.800000114D273 F274D273-G276 WeakPolarHBondContact OD1-CA 3.47Å; D273-G276 PolarHBondContact OD1-N 2.99Å; F274-G276 VanDerWaalsContact C-N 3.28Å; F274-G276 PolarHBondContact O-N 3.45Å
277H90.8Very high92.6Very high134 Ų13443.3 Ų43.362%0.6224%0.237SC*.EExtended strand (participates in β ladder)trans-123.2135.5178.6-61.6-63.5000110.7D273 F274 E279D273-H277 PolarHBondContact OD1-N 3.18Å; F274-H277 PolarHBondContact N-O 3.41Å; F274-H277 PolarHBondContact O-N 2.78Å; F274-H277 VanDerWaalsContact O-N 3.11Å; H277-E279 PolarHBondContact O-N 2.84Å
278P93.1Very high92.2Very high92 Ų9245.5 Ų45.560%0.59724%0.244SC*.EExtended strand (participates in β ladder)trans-70.4118.6175.428.3-32.6000110.2E271E271-P278 HydrophobicContact CG-CB 4.19Å
279E95.2Very high91.6Very high56 Ų5645.5 Ų45.526%0.26224%0.244SC..EExtended strand (participates in β ladder)trans-108131.4175.4-173.260.8-148.200109.8E271 V272 F274 H277 L281 W297 S327E271-E279 WeakPolarHBondContact CA-O 3.14Å; V272-E279 HydrophobicContact CG2-CB 4.08Å; V272-E279 PolarHBondContact N-O 2.75Å; V272-E279 PolarHBondContact O-N 3.33Å; F274-E279 HydrophobicContact CB-CB 3.98Å; H277-E279 PolarHBondContact O-N 2.84Å; E279-L281 HydrophobicContact CG-CD2 3.91Å; E279-W297 HydrophobicContact CB-CZ2 4.46Å; E279-W297 HydrophobicContact CG-CZ2 3.93Å; E279-S327 WeakPolarHBondContact OE1-CB 3.2Å
280K96.2Very high90.9Very high93 Ų9350.5 Ų50.540%0.40427%0.267SS..EExtended strand (participates in β ladder)trans-96118.9-178.9-71.5175.4-177.6172.50109.5Y225 E271 F328Y225-K280 HydrophobicContact CD1-CD 3.84Å; Y225-K280 HydrophobicContact CD1-CG 4.31Å; Y225-K280 HydrophobicContact CD2-CB 4.13Å; Y225-K280 HydrophobicContact CD2-CD 4.16Å; Y225-K280 HydrophobicContact CD2-CG 4.44Å; Y225-K280 HydrophobicContact CE1-CB 4.42Å; Y225-K280 HydrophobicContact CE1-CD 4Å; Y225-K280 HydrophobicContact CE1-CG 3.95Å; Y225-K280 HydrophobicContact CE2-CB 3.69Å; Y225-K280 HydrophobicContact CE2-CD 4.33Å; Y225-K280 HydrophobicContact CE2-CG 4.12Å; Y225-K280 HydrophobicContact CG-CD 3.9Å; E271-K280 HydrophobicContact CG-CG 4.39Å; K280-F328 HydrophobicContact CB-CB 3.93Å; K280-F328 WeakPolarHBondContact O-CB 3.2Å; K280-F328 PolarHBondContact O-N 3.38Å
281L96.7Very high90.5Very high0 Ų048.1 Ų48.10%026%0.258CS..EExtended strand (participates in β ladder)trans-110.1148.9-179.5-54.6-176.6000111V269 E270 V272 E279 W297 W304 W325 M326V269-L281 WeakPolarHBondContact CA-O 3.36Å; E270-L281 PolarHBondContact N-O 2.73Å; E270-L281 PolarHBondContact O-N 2.98Å; V272-L281 HydrophobicContact CG1-CD1 3.97Å; V272-L281 HydrophobicContact CG2-CD1 3.71Å; V272-L281 HydrophobicContact CG2-CG 4.06Å; E279-L281 HydrophobicContact CG-CD2 3.91Å; L281-W297 HydrophobicContact CD1-CD2 4.11Å; L281-W297 HydrophobicContact CD1-CE3 3.92Å; L281-W297 HydrophobicContact CD1-CZ3 4.19Å; L281-W297 HydrophobicContact CD2-CD2 3.68Å; L281-W297 HydrophobicContact CD2-CE3 4.33Å; L281-W297 HydrophobicContact CD2-CG 3.73Å; L281-W297 HydrophobicContact CD2-CZ2 4.25Å; L281-W304 HydrophobicContact CD1-CH2 4.15Å; L281-W304 HydrophobicContact CD1-CZ3 4.37Å; L281-W325 HydrophobicContact CB-CE3 3.63Å; L281-W325 HydrophobicContact CB-CZ3 3.97Å; L281-M326 WeakPolarHBondContact CA-O 3.35Å
282I96.9Very high90.3Very high0 Ų045 Ų450%024%0.244CC..EExtended strand (participates in β ladder)trans-128.9136173-174.6167.1000108.9I228 V266 V269 L284 W325 M326 F331I228-I282 HydrophobicContact CD1-CD1 4.34Å; V266-I282 HydrophobicContact CG1-CD1 3.78Å; V266-I282 HydrophobicContact CG1-CG1 3.88Å; V266-I282 HydrophobicContact CG2-CD1 4.49Å; V269-I282 HydrophobicContact CG1-CB 4.15Å; V269-I282 HydrophobicContact CG1-CD1 4.28Å; V269-I282 HydrophobicContact CG1-CG1 3.88Å; I282-L284 HydrophobicContact CD1-CD2 4.22Å; I282-L284 HydrophobicContact CG1-CD2 4.1Å; I282-W325 WeakPolarHBondContact O-CA 3.19Å; I282-M326 HydrophobicContact CG2-CG 3.71Å; I282-M326 PolarHBondContact N-O 3.46Å; I282-M326 PolarHBondContact O-N 2.85Å; I282-F331 HydrophobicContact CD1-CD1 4.03Å; I282-F331 HydrophobicContact CD1-CD2 4.18Å; I282-F331 HydrophobicContact CD1-CE1 4.01Å; I282-F331 HydrophobicContact CD1-CE2 4.16Å; I282-F331 HydrophobicContact CD1-CG 4.11Å; I282-F331 HydrophobicContact CD1-CZ 4.07Å; I282-F331 HydrophobicContact CG2-CB 3.68Å; I282-F331 HydrophobicContact CG2-CD2 4.35Å; I282-F331 HydrophobicContact CG2-CG 3.98Å
283R95.3Very high90.3Very high42 Ų4245 Ų4516%0.15824%0.244CC..EExtended strand (participates in β ladder)trans-102.3127.1177.6-163.9173.662.1-170.3-8109.7T267 G268 E323 F324 W325T267-R283 PolarHBondContact N-O 3.14Å; T267-R283 PolarHBondContact O-NH2 3.44Å; T267-R283 WeakPolarHBondContact OG1-CG 3.35Å; T267-R283 PolarHBondContact OG1-NE 2.65Å; G268-R283 PolarHBondContact O-N 3.16Å; R283-E323 WeakPolarHBondContact CD-OE2 3.29Å; R283-E323 HydrophobicContact CG-CG 3.6Å; R283-E323 IonicContact CZ-OE1 3.27Å; R283-E323 IonicContact CZ-OE2 3.52Å; R283-E323 IonicContact NE-OE1 2.78Å; R283-E323 PolarHBondContact NE-OE1 2.99Å; R283-E323 IonicContact NE-OE2 3.59Å; R283-E323 PolarHBondContact NE-OE2 2.96Å; R283-E323 IonicContact NH1-OE2 3.42Å; R283-F324 WeakPolarHBondContact CA-O 3.34Å; R283-W325 HydrophobicContact CB-CD2 3.74Å; R283-W325 HydrophobicContact CB-CE3 3.67Å; R283-W325 HydrophobicContact CB-CG 4.48Å; R283-W325 HydrophobicContact CB-CH2 3.83Å; R283-W325 HydrophobicContact CB-CZ2 3.89Å; R283-W325 HydrophobicContact CB-CZ3 3.73Å; R283-W325 HydrophobicContact CG-CD2 4Å; R283-W325 HydrophobicContact CG-CE3 4.43Å; R283-W325 HydrophobicContact CG-CG 4.35Å; R283-W325 HydrophobicContact CG-CZ2 4.18Å
284L94.7Very high90.3Very high0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-120.5153.6179.3-57.8-178.2000109.6S265 V266 I282 E323 F324 M326 F331 F335S265-L284 CarbonylContact O-C 3.59Å; S265-L284 VanDerWaalsContact O-CA 3.25Å; S265-L284 WeakPolarHBondContact O-CA 3.44Å; V266-L284 HydrophobicContact CB-CD2 4.16Å; V266-L284 HydrophobicContact CG1-CD2 4.3Å; V266-L284 HydrophobicContact CG2-CD2 3.67Å; I282-L284 HydrophobicContact CD1-CD2 4.22Å; I282-L284 HydrophobicContact CG1-CD2 4.1Å; L284-E323 CarbonylContact O-C 3.13Å; L284-E323 WeakPolarHBondContact O-CA 3.43Å; L284-F324 HydrophobicContact CB-CD2 4.46Å; L284-F324 HydrophobicContact CB-CE1 4.45Å; L284-F324 HydrophobicContact CB-CE2 3.88Å; L284-F324 HydrophobicContact CB-CZ 3.87Å; L284-F324 HydrophobicContact CD1-CE2 3.99Å; L284-F324 HydrophobicContact CD1-CZ 4.22Å; L284-F324 HydrophobicContact CG-CE2 4.34Å; L284-F324 PolarHBondContact N-O 2.89Å; L284-F324 PolarHBondContact O-N 2.82Å; L284-M326 HydrophobicContact CD1-SD 3.73Å; L284-F331 HydrophobicContact CD1-CD2 4.05Å; L284-F331 HydrophobicContact CD1-CE2 4.33Å; L284-F331 HydrophobicContact CD2-CE2 4.3Å; L284-F335 HydrophobicContact CD1-CD2 4.26Å; L284-F335 HydrophobicContact CD1-CE1 4.11Å; L284-F335 HydrophobicContact CD1-CE2 3.43Å; L284-F335 VanDerWaalsContact CD1-CE2 3.43Å; L284-F335 HydrophobicContact CD1-CZ 3.35Å
285R92Very high90.3Very high1 Ų141.5 Ų41.50%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-127130.1171.4-174.7174.8-178.4-89.4-7111.9R94 I97 Y264 S265 T267 G322 E323R94-R285 PolarHBondContact O-NH1 2.88Å; R94-R285 PolarHBondContact O-NH2 2.65Å; I97-R285 PolarHBondContact O-NH1 3.39Å; I97-R285 PolarHBondContact O-NH2 3.17Å; Y264-R285 WeakPolarHBondContact CA-O 3.1Å; S265-R285 PolarHBondContact N-O 2.7Å; S265-R285 PolarHBondContact O-N 2.78Å; T267-R285 HydrophobicContact CG2-CB 3.9Å; R285-G322 CarbonylContact C-O 3.42Å; R285-G322 WeakPolarHBondContact CA-O 3.32Å; R285-E323 HydrophobicContact CB-CB 4.37Å; R285-E323 HydrophobicContact CG-CB 4.31Å
286N90.2Very high90.5Very high0 Ų038.9 Ų38.90%022%0.22CC..  trans-78.6120.6167-171.3-8.7000109.9H262 Y264 W288 G289 E290 V291 G322H262-N286 PolarHBondContact NE2-OD1 2.68Å; Y264-N286 HydrophobicContact CD1-CB 4.13Å; Y264-N286 HydrophobicContact CE1-CB 3.69Å; N286-W288 PolarHBondContact O-N 3.49Å; N286-W288 VanDerWaalsContact O-N 3.11Å; N286-W288 PolarHBondContact OD1-N 3.18Å; N286-W288 VanDerWaalsContact OD1-N 3.12Å; N286-G289 PolarHBondContact O-N 3.21Å; N286-E290 PolarHBondContact ND2-O 3.19Å; N286-V291 PolarHBondContact ND2-O 2.59Å; N286-V291 VanDerWaalsContact ND2-O 3.16Å; N286-G322 PolarHBondContact N-O 2.92Å
287P83.7Confident90.8Very high0 Ų036.5 Ų36.50%019%0.194CC..THydrogen-bonded Turntrans-66.3-7.5177.827.3-36.5000114.9Q99 C105 L108 A109 H262 A263 G289Q99-P287 PolarHBondContact N-O 2.64Å; C105-P287 HydrophobicContact CB-CG 4.35Å; L108-P287 HydrophobicContact CB-CB 3.65Å; A109-P287 HydrophobicContact CB-CG 4.27Å; H262-P287 WeakPolarHBondContact NE2-CD 3.32Å; H262-P287 WeakPolarHBondContact NE2-CG 3.13Å; A263-P287 WeakPolarHBondContact O-CD 3.37Å; A263-P287 VanDerWaalsContact O-CG 3.23Å; A263-P287 WeakPolarHBondContact O-CG 3.21Å; P287-G289 PolarHBondContact O-N 3.01Å
288W81.9Confident90.8Very high54 Ų5430.8 Ų30.821%0.20517%0.169CC..THydrogen-bonded Turntrans-65.9-24168.8-67.5-6.2000112.4V259 H262 N286 E290 V291V259-W288 HydrophobicContact CB-CH2 4.39Å; V259-W288 HydrophobicContact CG1-CH2 3.74Å; V259-W288 HydrophobicContact CG1-CZ2 4.11Å; V259-W288 HydrophobicContact CG1-CZ3 4.43Å; V259-W288 HydrophobicContact CG2-CE3 4.22Å; V259-W288 HydrophobicContact CG2-CH2 3.75Å; V259-W288 HydrophobicContact CG2-CZ3 3.56Å; H262-W288 AromaticContact CE1-CD1 3.61Å; H262-W288 AromaticContact CE1-CE2 3.72Å; H262-W288 AromaticContact CE1-NE1 3.2Å; H262-W288 PolarHBondContact CE1-NE1 2.97Å; H262-W288 AromaticContact ND1-NE1 3.99Å; H262-W288 AromaticContact NE2-CD1 3.92Å; H262-W288 AromaticContact NE2-NE1 3.81Å; N286-W288 PolarHBondContact O-N 3.49Å; N286-W288 VanDerWaalsContact O-N 3.11Å; N286-W288 PolarHBondContact OD1-N 3.18Å; N286-W288 VanDerWaalsContact OD1-N 3.12Å; W288-E290 HydrophobicContact CB-CG 4.1Å; W288-V291 HydrophobicContact CE3-CB 4.39Å; W288-V291 HydrophobicContact CE3-CG2 4.3Å
289G80.3Confident90.5Very high11 Ų1127.7 Ų27.711%0.11315%0.147CC..SBendtrans76.19.5-172.700000113.3N286 P287 D321 G322N286-G289 PolarHBondContact O-N 3.21Å; P287-G289 PolarHBondContact O-N 3.01Å; G289-D321 WeakPolarHBondContact CA-O 3.21Å; G289-D321 CarbonylContact O-C 3.52Å; G289-D321 VanDerWaalsContact O-C 3.23Å; G289-D321 WeakPolarHBondContact O-CA 3.31Å; G289-G322 PolarHBondContact O-N 3.36Å
290E80.3Confident90.1Very high114 Ų11429.3 Ų29.353%0.53317%0.17SC..  trans-153.5174.2178.956173.6-165.500109.3N286 W288N286-E290 PolarHBondContact ND2-O 3.19Å; W288-E290 HydrophobicContact CB-CG 4.1Å
291V85Confident89.8Confident37 Ų3725.1 Ų25.122%0.22415%0.153CC..  trans66.789.5177.8-174.40000111.6K257 N286 W288 E320K257-V291 HydrophobicContact CB-CG1 4.27Å; K257-V291 WeakPolarHBondContact O-CG1 3.43Å; N286-V291 PolarHBondContact ND2-O 2.59Å; N286-V291 VanDerWaalsContact ND2-O 3.16Å; W288-V291 HydrophobicContact CE3-CB 4.39Å; W288-V291 HydrophobicContact CE3-CG2 4.3Å; V291-E320 PolarHBondContact N-OE1 3.09Å
292E90.4Very high89.6Confident14 Ų1429 Ų297%0.06518%0.178CC..  trans-108.3159.1-175.9-67.8168.8-165.800114.1K257 S294 E320 D321 G322 F324K257-E292 WeakPolarHBondContact CB-O 3.48Å; K257-E292 WeakPolarHBondContact CD-O 3.21Å; E292-S294 PolarHBondContact O-N 2.9Å; E292-E320 VanDerWaalsContact OE1-CA 3.23Å; E292-E320 WeakPolarHBondContact OE1-CA 3.45Å; E292-D321 PolarHBondContact OE1-N 2.82Å; E292-G322 WeakPolarHBondContact OE1-CA 3.44Å; E292-G322 PolarHBondContact OE1-N 3.04Å; E292-F324 HydrophobicContact CB-CB 4.34Å; E292-F324 HydrophobicContact CB-CD1 4.05Å; E292-F324 HydrophobicContact CG-CD1 4.1Å
293W92.8Very high89.4Confident5 Ų531.1 Ų31.12%0.01919%0.188CC..  trans-51.9133.8173.6169.1-113.6000112Q256 L258 G295 A296 S298 F324 M326 D330 Q334Q256-W293 HydrophobicContact CB-CE3 3.73Å; Q256-W293 HydrophobicContact CB-CH2 4.15Å; Q256-W293 HydrophobicContact CB-CZ3 3.37Å; Q256-W293 VanDerWaalsContact CD-CZ3 3.45Å; Q256-W293 HydrophobicContact CG-CH2 4.31Å; Q256-W293 HydrophobicContact CG-CZ3 3.99Å; Q256-W293 VanDerWaalsContact NE2-CH2 3.29Å; L258-W293 HydrophobicContact CD1-CE3 3.75Å; L258-W293 HydrophobicContact CD1-CZ3 3.71Å; L258-W293 HydrophobicContact CD2-CB 4.35Å; L258-W293 HydrophobicContact CD2-CE3 4Å; L258-W293 HydrophobicContact CG-CE3 3.75Å; L258-W293 HydrophobicContact CG-CZ3 4.14Å; W293-G295 VanDerWaalsContact NE1-C 3.25Å; W293-G295 VanDerWaalsContact NE1-CA 3.33Å; W293-A296 PolarHBondContact NE1-O 2.87Å; W293-S298 WeakPolarHBondContact O-CB 3.46Å; W293-F324 HydrophobicContact CB-CB 4.27Å; W293-F324 HydrophobicContact CB-CD1 4.2Å; W293-F324 HydrophobicContact CB-CD2 3.26Å; W293-F324 HydrophobicContact CB-CE1 4.39Å; W293-F324 HydrophobicContact CB-CE2 3.49Å; W293-F324 VanDerWaalsContact CB-CE2 3.49Å; W293-F324 HydrophobicContact CB-CG 3.65Å; W293-F324 HydrophobicContact CB-CZ 4.06Å; W293-F324 HydrophobicContact CG-CD2 4.06Å; W293-F324 HydrophobicContact CG-CE2 4.28Å; W293-M326 HydrophobicContact CD2-CE 4.19Å; W293-M326 HydrophobicContact CE3-CE 4.25Å; W293-M326 HydrophobicContact CH2-CE 4.07Å; W293-M326 HydrophobicContact CZ2-CE 4.03Å; W293-M326 HydrophobicContact CZ3-CE 4.18Å; W293-D330 HydrophobicContact CZ2-CB 4.32Å; W293-Q334 HydrophobicContact CH2-CG 4.19Å; W293-Q334 HydrophobicContact CZ3-CG 4.15Å
294S91.9Very high89.2Confident63 Ų6329.2 Ų29.244%0.44118%0.181SC..  trans-109.115.5-178.876.50000114.2Q256 E292Q256-S294 WeakPolarHBondContact CA-OG 3.5Å; Q256-S294 PolarHBondContact O-N 3.33Å; E292-S294 PolarHBondContact O-N 2.9Å
295G92.6Very high89Confident16 Ų1634 Ų3417%0.16521%0.206CC..SBendtrans-98.9-156.7-179.900000113.1W293 S298W293-G295 VanDerWaalsContact NE1-C 3.25Å; W293-G295 VanDerWaalsContact NE1-CA 3.33Å; G295-S298 VanDerWaalsContact O-CB 3.28Å; G295-S298 WeakPolarHBondContact O-CB 3.47Å; G295-S298 PolarHBondContact O-N 3.4Å; G295-S298 PolarHBondContact O-OG 2.99Å
296A92.6Very high88.9Confident27 Ų2739.2 Ų39.222%0.22323%0.231CC..THydrogen-bonded Turntrans-57.3139.4177.300000111.2W293 S298 E303W293-A296 PolarHBondContact NE1-O 2.87Å; A296-S298 PolarHBondContact O-N 2.8Å; A296-E303 WeakPolarHBondContact CA-OE1 3.42Å; A296-E303 VanDerWaalsContact CB-OE1 3.25Å; A296-E303 WeakPolarHBondContact CB-OE1 3.47Å
297W93.9Very high89Confident8 Ų839.9 Ų39.93%0.0323%0.234CC..THydrogen-bonded Turntrans678.4-177.1-51.699.9000116.5V272 F274 E279 L281 E303 W304 I307 W325V272-W297 HydrophobicContact CG2-CH2 3.99Å; V272-W297 HydrophobicContact CG2-CZ2 4.49Å; V272-W297 HydrophobicContact CG2-CZ3 4.42Å; F274-W297 HydrophobicContact CB-CH2 4.16Å; F274-W297 HydrophobicContact CB-CZ2 4.18Å; F274-W297 HydrophobicContact CD1-CZ2 4.49Å; F274-W297 AromaticContact CD2-CH2 3.53Å; F274-W297 HydrophobicContact CD2-CH2 3.53Å; F274-W297 AromaticContact CD2-CZ2 3.73Å; F274-W297 HydrophobicContact CD2-CZ2 3.73Å; F274-W297 HydrophobicContact CE2-CH2 4.13Å; F274-W297 HydrophobicContact CE2-CZ2 4.18Å; F274-W297 HydrophobicContact CG-CH2 4.02Å; F274-W297 AromaticContact CG-CZ2 3.89Å; F274-W297 HydrophobicContact CG-CZ2 3.89Å; E279-W297 HydrophobicContact CB-CZ2 4.46Å; E279-W297 HydrophobicContact CG-CZ2 3.93Å; L281-W297 HydrophobicContact CD1-CD2 4.11Å; L281-W297 HydrophobicContact CD1-CE3 3.92Å; L281-W297 HydrophobicContact CD1-CZ3 4.19Å; L281-W297 HydrophobicContact CD2-CD2 3.68Å; L281-W297 HydrophobicContact CD2-CE3 4.33Å; L281-W297 HydrophobicContact CD2-CG 3.73Å; L281-W297 HydrophobicContact CD2-CZ2 4.25Å; W297-E303 HydrophobicContact CD2-CB 3.92Å; W297-E303 HydrophobicContact CE3-CB 3.93Å; W297-E303 HydrophobicContact CH2-CB 3.99Å; W297-E303 HydrophobicContact CZ2-CB 3.96Å; W297-E303 HydrophobicContact CZ3-CB 3.97Å; W297-W304 HydrophobicContact CB-CZ2 4.45Å; W297-W304 AromaticContact CE3-CD2 3.84Å; W297-W304 HydrophobicContact CE3-CD2 3.84Å; W297-W304 AromaticContact CE3-CE2 3.94Å; W297-W304 AromaticContact CE3-CE3 3.89Å; W297-W304 HydrophobicContact CE3-CE3 3.89Å; W297-W304 HydrophobicContact CE3-CG 4.46Å; W297-W304 HydrophobicContact CE3-CH2 4.17Å; W297-W304 HydrophobicContact CE3-CZ2 4.12Å; W297-W304 HydrophobicContact CE3-CZ3 4.05Å; W297-W304 HydrophobicContact CZ3-CD2 4.14Å; W297-W304 AromaticContact CZ3-CE3 3.85Å; W297-W304 HydrophobicContact CZ3-CE3 3.85Å; W297-W304 HydrophobicContact CZ3-CZ3 4.14Å; W297-W304 PolarHBondContact O-NE1 3.24Å; W297-I307 HydrophobicContact CH2-CG2 3.59Å; W297-I307 HydrophobicContact CZ3-CG2 3.83Å; W297-W325 CarbonylContact C-O 3.48Å; W297-W325 HydrophobicContact CB-CB 4.25Å; W297-W325 VanDerWaalsContact O-O 3.11Å
298S91.8Very high89.3Confident14 Ų1444.1 Ų44.110%0.09826%0.257CS..SBendtrans-59.3165.2163.459.50000112.2W293 G295 A296 A300 A301 W304W293-S298 WeakPolarHBondContact O-CB 3.46Å; G295-S298 VanDerWaalsContact O-CB 3.28Å; G295-S298 WeakPolarHBondContact O-CB 3.47Å; G295-S298 PolarHBondContact O-N 3.4Å; G295-S298 PolarHBondContact O-OG 2.99Å; A296-S298 PolarHBondContact O-N 2.8Å; S298-A300 PolarHBondContact O-N 2.74Å; S298-A300 VanDerWaalsContact O-N 3.11Å; S298-A301 WeakPolarHBondContact O-CB 3.13Å; S298-A301 PolarHBondContact O-N 2.9Å; S298-W304 PolarHBondContact O-NE1 3.37Å
299D86.7Confident89.6Confident26 Ų2646.4 Ų46.414%0.13928%0.278CS..THydrogen-bonded Turntrans-56.7-30.9-175.6-78.230.7000114.2R318 A319D299-R318 VanDerWaalsContact OD2-CA 3.24Å; D299-R318 WeakPolarHBondContact OD2-CA 3.25Å; D299-A319 PolarHBondContact OD2-N 3.39Å
300A86.4Confident90Very high91 Ų9155.6 Ų55.675%0.75231%0.31SS*.THydrogen-bonded Turntrans-97.14.217700000113.8S298S298-A300 PolarHBondContact O-N 2.74Å; S298-A300 VanDerWaalsContact O-N 3.11Å
301A90.4Very high90.3Very high5 Ų554 Ų544%0.04130%0.301CS..  trans-74.4138.7-168.200000112.4S298 E303S298-A301 WeakPolarHBondContact O-CB 3.13Å; S298-A301 PolarHBondContact O-N 2.9Å; A301-E303 WeakPolarHBondContact CB-OE2 3.49Å; A301-E303 PolarHBondContact O-N 3.22Å
302P91.6Very high90.4Very high82 Ų8254.5 Ų54.553%0.53230%0.3SS..G310 helixtrans-68.4-20.1-177.628.1-35.7000113.8W304 N305P302-W304 PolarHBondContact O-N 2.85Å; P302-N305 WeakPolarHBondContact O-CB 3.33Å; P302-N305 PolarHBondContact O-N 3.41Å; P302-N305 PolarHBondContact O-ND2 2.72Å
303E92.3Very high90.2Very high44 Ų4461.6 Ų61.621%0.20633%0.333CS..G310 helixtrans-55.4-35.5-179.1-66.684.5167.400111.9F274 A296 W297 A301 N305 H306F274-E303 HydrophobicContact CE2-CB 3.93Å; F274-E303 HydrophobicContact CE2-CG 4.24Å; F274-E303 HydrophobicContact CZ-CB 4.4Å; F274-E303 HydrophobicContact CZ-CG 4.2Å; A296-E303 WeakPolarHBondContact CA-OE1 3.42Å; A296-E303 VanDerWaalsContact CB-OE1 3.25Å; A296-E303 WeakPolarHBondContact CB-OE1 3.47Å; W297-E303 HydrophobicContact CD2-CB 3.92Å; W297-E303 HydrophobicContact CE3-CB 3.93Å; W297-E303 HydrophobicContact CH2-CB 3.99Å; W297-E303 HydrophobicContact CZ2-CB 3.96Å; W297-E303 HydrophobicContact CZ3-CB 3.97Å; A301-E303 WeakPolarHBondContact CB-OE2 3.49Å; A301-E303 PolarHBondContact O-N 3.22Å; E303-N305 PolarHBondContact O-N 3.33Å; E303-N305 VanDerWaalsContact O-N 3.1Å; E303-H306 PolarHBondContact O-N 2.71Å
304W91.9Very high89.9Confident1 Ų167.7 Ų67.70%0.00436%0.362CS..G310 helixtrans-57.5-25.1175.9-68.6118.3000114L281 W297 S298 P302 H306 I307 K312 L315 D316 W325L281-W304 HydrophobicContact CD1-CH2 4.15Å; L281-W304 HydrophobicContact CD1-CZ3 4.37Å; W297-W304 HydrophobicContact CB-CZ2 4.45Å; W297-W304 AromaticContact CE3-CD2 3.84Å; W297-W304 HydrophobicContact CE3-CD2 3.84Å; W297-W304 AromaticContact CE3-CE2 3.94Å; W297-W304 AromaticContact CE3-CE3 3.89Å; W297-W304 HydrophobicContact CE3-CE3 3.89Å; W297-W304 HydrophobicContact CE3-CG 4.46Å; W297-W304 HydrophobicContact CE3-CH2 4.17Å; W297-W304 HydrophobicContact CE3-CZ2 4.12Å; W297-W304 HydrophobicContact CE3-CZ3 4.05Å; W297-W304 HydrophobicContact CZ3-CD2 4.14Å; W297-W304 AromaticContact CZ3-CE3 3.85Å; W297-W304 HydrophobicContact CZ3-CE3 3.85Å; W297-W304 HydrophobicContact CZ3-CZ3 4.14Å; W297-W304 PolarHBondContact O-NE1 3.24Å; S298-W304 PolarHBondContact O-NE1 3.37Å; P302-W304 PolarHBondContact O-N 2.85Å; W304-H306 PolarHBondContact O-N 3.14Å; W304-I307 HydrophobicContact CE3-CD1 3.62Å; W304-I307 HydrophobicContact CE3-CG1 4.26Å; W304-I307 HydrophobicContact CZ3-CD1 3.81Å; W304-I307 WeakPolarHBondContact O-CG1 3.46Å; W304-K312 HydrophobicContact CB-CD 4.32Å; W304-K312 HydrophobicContact CB-CG 4.37Å; W304-K312 WeakPolarHBondContact O-CD 3.35Å; W304-L315 HydrophobicContact CH2-CB 3.9Å; W304-L315 HydrophobicContact CZ3-CB 3.85Å; W304-L315 HydrophobicContact CZ3-CD1 4.38Å; W304-D316 HydrophobicContact CD2-CB 3.94Å; W304-D316 HydrophobicContact CE3-CB 4.12Å; W304-D316 HydrophobicContact CG-CB 4.27Å; W304-W325 HydrophobicContact CH2-CB 4.16Å; W304-W325 AromaticContact CH2-CD1 3.75Å; W304-W325 HydrophobicContact CH2-CD2 4.4Å; W304-W325 AromaticContact CH2-CG 3.86Å; W304-W325 HydrophobicContact CH2-CG 3.86Å; W304-W325 HydrophobicContact CZ2-CB 3.78Å; W304-W325 AromaticContact CZ2-CD1 3.64Å; W304-W325 AromaticContact CZ2-CG 3.82Å; W304-W325 HydrophobicContact CZ2-CG 3.82Å
305N90.4Very high89.6Confident100 Ų10065.5 Ų65.554%0.53535%0.345SS..G310 helixtrans-75.4-8.2179-58.8-40.9000113.5P302 E303 K312P302-N305 WeakPolarHBondContact O-CB 3.33Å; P302-N305 PolarHBondContact O-N 3.41Å; P302-N305 PolarHBondContact O-ND2 2.72Å; E303-N305 PolarHBondContact O-N 3.33Å; E303-N305 VanDerWaalsContact O-N 3.1Å; N305-K312 PolarHBondContact OD1-NZ 3.46Å
306H90.8Very high89.1Confident112 Ų11265.6 Ų65.652%0.51934%0.342SS..G310 helixtrans-110.110.1-175.8-61.8-72.3000113.6F274 E303 W304F274-H306 HydrophobicContact CD2-CB 3.89Å; F274-H306 HydrophobicContact CE2-CB 3.61Å; E303-H306 PolarHBondContact O-N 2.71Å; W304-H306 PolarHBondContact O-N 3.14Å
307I91.8Very high88.3Confident14 Ų1470.9 Ų70.97%0.07236%0.36CS..SBendtrans-109.2170.8173.566.6152.6000111.2V272 F274 W297 W304 K311 K312V272-I307 HydrophobicContact CB-CG2 4.32Å; V272-I307 HydrophobicContact CG2-CG2 4.11Å; F274-I307 HydrophobicContact CB-CG2 4.45Å; F274-I307 HydrophobicContact CD2-CG2 4.19Å; W297-I307 HydrophobicContact CH2-CG2 3.59Å; W297-I307 HydrophobicContact CZ3-CG2 3.83Å; W304-I307 HydrophobicContact CE3-CD1 3.62Å; W304-I307 HydrophobicContact CE3-CG1 4.26Å; W304-I307 HydrophobicContact CZ3-CD1 3.81Å; W304-I307 WeakPolarHBondContact O-CG1 3.46Å; I307-K311 HydrophobicContact CD1-CB 4.2Å; I307-K312 HydrophobicContact CD1-CB 3.98Å; I307-K312 HydrophobicContact CG1-CB 4.11Å
308D89.3Confident87.5Confident89 Ų8977.3 Ų77.348%0.47638%0.384SS..  trans-54.2126.2174.4-175.4-64.6000110.9R310 K311 K312D308-R310 PolarHBondContact O-N 3.02Å; D308-R310 WeakPolarHBondContact OD1-CA 3.48Å; D308-R310 VanDerWaalsContact OD1-CB 3.26Å; D308-R310 WeakPolarHBondContact OD1-CB 3.32Å; D308-R310 PolarHBondContact OD1-N 2.78Å; D308-K311 HydrophobicContact CB-CB 4.26Å; D308-K311 HydrophobicContact CB-CG 4.4Å; D308-K311 PolarHBondContact O-N 2.81Å; D308-K311 VanDerWaalsContact O-N 3.1Å; D308-K311 PolarHBondContact OD1-N 2.69Å; D308-K312 PolarHBondContact O-N 2.95Å
309P88.8Confident87Confident101 Ų10178.7 Ų78.766%0.65640%0.396SS*.Hα-helixtrans-57.4-30.9-177.9-28.135.5000115.1K312 E313P309-K312 WeakPolarHBondContact O-CB 3.44Å; P309-K312 PolarHBondContact O-N 2.77Å; P309-E313 PolarHBondContact O-N 3.3Å
310R88.6Confident86.6Confident205 Ų20582.8 Ų82.877%0.77442%0.415SS*.Hα-helixtrans-70.9-43.6176.7-62.6178.7173.5172.4-1.1111D308 K312 E313 E314D308-R310 PolarHBondContact O-N 3.02Å; D308-R310 WeakPolarHBondContact OD1-CA 3.48Å; D308-R310 VanDerWaalsContact OD1-CB 3.26Å; D308-R310 WeakPolarHBondContact OD1-CB 3.32Å; D308-R310 PolarHBondContact OD1-N 2.78Å; R310-K312 VanDerWaalsContact C-N 3.28Å; R310-K312 PolarHBondContact O-N 2.7Å; R310-E313 PolarHBondContact O-N 2.9Å; R310-E314 PolarHBondContact O-N 3Å; R310-E314 VanDerWaalsContact O-N 3.13Å
311K86.9Confident86.3Confident80 Ų8079.7 Ų79.735%0.34839%0.385SS..Hα-helixtrans-63.8-36.7173.3-77.5-165.1169-170.10111.3E271 V272 I307 D308 E314 L315E271-K311 PolarHBondContact O-NZ 3.05Å; V272-K311 HydrophobicContact CG1-CD 4.42Å; I307-K311 HydrophobicContact CD1-CB 4.2Å; D308-K311 HydrophobicContact CB-CB 4.26Å; D308-K311 HydrophobicContact CB-CG 4.4Å; D308-K311 PolarHBondContact O-N 2.81Å; D308-K311 VanDerWaalsContact O-N 3.1Å; D308-K311 PolarHBondContact OD1-N 2.69Å; K311-E314 PolarHBondContact O-N 3.34Å; K311-L315 WeakPolarHBondContact O-CB 3.36Å; K311-L315 WeakPolarHBondContact O-CG 3.31Å; K311-L315 PolarHBondContact O-N 3.38Å
312K86.8Confident86Confident47 Ų4779.5 Ų79.520%0.20438%0.383CS..Hα-helixtrans-59.5-51.3173.6-176.6-174.7178.9172.30111.2W304 N305 I307 D308 P309 R310 E314 L315 D316W304-K312 HydrophobicContact CB-CD 4.32Å; W304-K312 HydrophobicContact CB-CG 4.37Å; W304-K312 WeakPolarHBondContact O-CD 3.35Å; N305-K312 PolarHBondContact OD1-NZ 3.46Å; I307-K312 HydrophobicContact CD1-CB 3.98Å; I307-K312 HydrophobicContact CG1-CB 4.11Å; D308-K312 PolarHBondContact O-N 2.95Å; P309-K312 WeakPolarHBondContact O-CB 3.44Å; P309-K312 PolarHBondContact O-N 2.77Å; R310-K312 VanDerWaalsContact C-N 3.28Å; R310-K312 PolarHBondContact O-N 2.7Å; K312-E314 PolarHBondContact O-N 3.49Å; K312-L315 PolarHBondContact O-N 2.67Å; K312-D316 VanDerWaalsContact CE-OD2 3.22Å; K312-D316 WeakPolarHBondContact CE-OD2 3.41Å; K312-D316 HydrophobicContact CG-CB 3.91Å; K312-D316 WeakPolarHBondContact O-CA 3.46Å; K312-D316 VanDerWaalsContact O-CB 3.28Å; K312-D316 WeakPolarHBondContact O-CB 3.35Å; K312-D316 PolarHBondContact O-N 3.41Å
313E86.5Confident86Confident164 Ų16476.2 Ų76.277%0.76636%0.361SS*.Hα-helixtrans-60.7-31.7180-172.1174.5-16900112.8P309 R310P309-E313 PolarHBondContact O-N 3.3Å; R310-E313 PolarHBondContact O-N 2.9Å
314E85.9Confident86.1Confident133 Ų13374.1 Ų74.162%0.62135%0.351SS*.Hα-helixtrans-73-38.7176-175177.4-177.800113.3R310 K311 K312R310-E314 PolarHBondContact O-N 3Å; R310-E314 VanDerWaalsContact O-N 3.13Å; K311-E314 PolarHBondContact O-N 3.34Å; K312-E314 PolarHBondContact O-N 3.49Å
315L85.2Confident86.3Confident17 Ų1774.6 Ų74.69%0.08935%0.353CS..Hα-helixtrans-101.6-36.6-168.7-57.5175.9000114.1E270 V272 W304 K311 K312 K317 W325E270-L315 HydrophobicContact CB-CD1 4.39Å; E270-L315 HydrophobicContact CB-CD2 4.45Å; E270-L315 HydrophobicContact CG-CD2 3.94Å; V272-L315 HydrophobicContact CG1-CD1 3.74Å; W304-L315 HydrophobicContact CH2-CB 3.9Å; W304-L315 HydrophobicContact CZ3-CB 3.85Å; W304-L315 HydrophobicContact CZ3-CD1 4.38Å; K311-L315 WeakPolarHBondContact O-CB 3.36Å; K311-L315 WeakPolarHBondContact O-CG 3.31Å; K311-L315 PolarHBondContact O-N 3.38Å; K312-L315 PolarHBondContact O-N 2.67Å; L315-K317 PolarHBondContact O-N 2.82Å; L315-W325 HydrophobicContact CB-CZ2 4.31Å; L315-W325 HydrophobicContact CD2-CH2 4.04Å; L315-W325 HydrophobicContact CD2-CZ2 3.59Å; L315-W325 HydrophobicContact CG-CZ2 4.43Å; L315-W325 PolarHBondContact O-NE1 3.45Å
316D81.6Confident86.5Confident17 Ų1769.8 Ų69.89%0.09133%0.327CS..  trans-93.786.7-177.2-179.321.2000110.3W304 K312 R318W304-D316 HydrophobicContact CD2-CB 3.94Å; W304-D316 HydrophobicContact CE3-CB 4.12Å; W304-D316 HydrophobicContact CG-CB 4.27Å; K312-D316 VanDerWaalsContact CE-OD2 3.22Å; K312-D316 WeakPolarHBondContact CE-OD2 3.41Å; K312-D316 HydrophobicContact CG-CB 3.91Å; K312-D316 WeakPolarHBondContact O-CA 3.46Å; K312-D316 VanDerWaalsContact O-CB 3.28Å; K312-D316 WeakPolarHBondContact O-CB 3.35Å; K312-D316 PolarHBondContact O-N 3.41Å; D316-R318 WeakPolarHBondContact OD1-CG 3.4Å; D316-R318 IonicContact OD1-NE 3.66Å; D316-R318 IonicContact OD2-CZ 3.36Å; D316-R318 IonicContact OD2-NE 3.67Å; D316-R318 PolarHBondContact OD2-NE 3.27Å; D316-R318 IonicContact OD2-NH2 3.06Å; D316-R318 PolarHBondContact OD2-NH2 2.71Å
317K76.1Confident86.8Confident139 Ų13964.8 Ų64.860%0.60431%0.305SS*.  trans-86.7-15.4-176.9-69.3-173.4177.8-177.10114.7L315L315-K317 PolarHBondContact O-N 2.82Å
318R78.3Confident87Confident143 Ų14365.3 Ų65.354%0.5431%0.307SS..  trans45.374.9179.6-59.3-171.7-178.5-157.9-11.2113.8D299 D316D299-R318 VanDerWaalsContact OD2-CA 3.24Å; D299-R318 WeakPolarHBondContact OD2-CA 3.25Å; D316-R318 WeakPolarHBondContact OD1-CG 3.4Å; D316-R318 IonicContact OD1-NE 3.66Å; D316-R318 IonicContact OD2-CZ 3.36Å; D316-R318 IonicContact OD2-NE 3.67Å; D316-R318 PolarHBondContact OD2-NE 3.27Å; D316-R318 IonicContact OD2-NH2 3.06Å; D316-R318 PolarHBondContact OD2-NH2 2.71Å
319A80.6Confident87.3Confident42 Ų4263.9 Ų63.935%0.34730%0.304SS..  trans-141.4138.4176.800000109D299 D321D299-A319 PolarHBondContact OD2-N 3.39Å; A319-D321 HydrophobicContact CB-CB 4.3Å; A319-D321 PolarHBondContact O-N 3.28Å
320E78.3Confident87.6Confident113 Ų11360.6 Ų60.653%0.52828%0.281SS..  trans-82.677.2169.5-174.386.5-149.800107.8V291 E292V291-E320 PolarHBondContact N-OE1 3.09Å; E292-E320 VanDerWaalsContact OE1-CA 3.23Å; E292-E320 WeakPolarHBondContact OE1-CA 3.45Å
321D80.8Confident88Confident26 Ų2650.9 Ų50.914%0.13924%0.244CC..SBendtrans-119.46.7-177.571.97.8000112.6T95 G289 E292 A319 E323T95-D321 HydrophobicContact CG2-CB 4.17Å; G289-D321 WeakPolarHBondContact CA-O 3.21Å; G289-D321 CarbonylContact O-C 3.52Å; G289-D321 VanDerWaalsContact O-C 3.23Å; G289-D321 WeakPolarHBondContact O-CA 3.31Å; E292-D321 PolarHBondContact OE1-N 2.82Å; A319-D321 HydrophobicContact CB-CB 4.3Å; A319-D321 PolarHBondContact O-N 3.28Å; D321-E323 VanDerWaalsContact C-N 3.27Å; D321-E323 PolarHBondContact O-N 3.25Å; D321-E323 WeakPolarHBondContact OD1-CA 3.38Å; D321-E323 WeakPolarHBondContact OD1-CB 3.47Å; D321-E323 PolarHBondContact OD1-N 3.1Å
322G84.4Confident88.4Confident0 Ų049.2 Ų49.20%024%0.239CC..SBendtrans82.4-4.6-177.400000113.6R285 N286 G289 E292R285-G322 CarbonylContact C-O 3.42Å; R285-G322 WeakPolarHBondContact CA-O 3.32Å; N286-G322 PolarHBondContact N-O 2.92Å; G289-G322 PolarHBondContact O-N 3.36Å; E292-G322 WeakPolarHBondContact OE1-CA 3.44Å; E292-G322 PolarHBondContact OE1-N 3.04Å
323E90.9Very high88.7Confident13 Ų1353.7 Ų53.76%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-91.4132.7177.2-173.5165.3-100.100111.6R94 T267 R283 L284 R285 D321R94-E323 IonicContact CZ-OE1 2.87Å; R94-E323 IonicContact CZ-OE2 2.87Å; R94-E323 VanDerWaalsContact NE-CD 3.34Å; R94-E323 IonicContact NE-OE1 3.69Å; R94-E323 PolarHBondContact NE-OE1 2.89Å; R94-E323 IonicContact NE-OE2 2.75Å; R94-E323 PolarHBondContact NE-OE2 2.98Å; R94-E323 IonicContact NH2-OE1 3.62Å; R94-E323 PolarHBondContact NH2-OE1 2.74Å; R94-E323 IonicContact NH2-OE2 3.94Å; R94-E323 PolarHBondContact NH2-OE2 3.13Å; T267-E323 WeakPolarHBondContact CB-OE1 3.39Å; T267-E323 PolarHBondContact OG1-OE1 2.88Å; R283-E323 WeakPolarHBondContact CD-OE2 3.29Å; R283-E323 HydrophobicContact CG-CG 3.6Å; R283-E323 IonicContact CZ-OE1 3.27Å; R283-E323 IonicContact CZ-OE2 3.52Å; R283-E323 IonicContact NE-OE1 2.78Å; R283-E323 PolarHBondContact NE-OE1 2.99Å; R283-E323 IonicContact NE-OE2 3.59Å; R283-E323 PolarHBondContact NE-OE2 2.96Å; R283-E323 IonicContact NH1-OE2 3.42Å; L284-E323 CarbonylContact O-C 3.13Å; L284-E323 WeakPolarHBondContact O-CA 3.43Å; R285-E323 HydrophobicContact CB-CB 4.37Å; R285-E323 HydrophobicContact CG-CB 4.31Å; D321-E323 VanDerWaalsContact C-N 3.27Å; D321-E323 PolarHBondContact O-N 3.25Å; D321-E323 WeakPolarHBondContact OD1-CA 3.38Å; D321-E323 WeakPolarHBondContact OD1-CB 3.47Å; D321-E323 PolarHBondContact OD1-N 3.1Å
324F93.8Very high89.1Confident1 Ų148.4 Ų48.40%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-148.2156.4179.357.1-93.4000111.6L258 Y264 R283 L284 E292 W293 M326L258-F324 HydrophobicContact CD2-CE2 4.14Å; L258-F324 HydrophobicContact CD2-CZ 3.7Å; Y264-F324 HydrophobicContact CD1-CE1 4.36Å; Y264-F324 HydrophobicContact CD1-CZ 4.29Å; Y264-F324 HydrophobicContact CE1-CE1 4.05Å; Y264-F324 HydrophobicContact CE1-CZ 4.11Å; R283-F324 WeakPolarHBondContact CA-O 3.34Å; L284-F324 HydrophobicContact CB-CD2 4.46Å; L284-F324 HydrophobicContact CB-CE1 4.45Å; L284-F324 HydrophobicContact CB-CE2 3.88Å; L284-F324 HydrophobicContact CB-CZ 3.87Å; L284-F324 HydrophobicContact CD1-CE2 3.99Å; L284-F324 HydrophobicContact CD1-CZ 4.22Å; L284-F324 HydrophobicContact CG-CE2 4.34Å; L284-F324 PolarHBondContact N-O 2.89Å; L284-F324 PolarHBondContact O-N 2.82Å; E292-F324 HydrophobicContact CB-CB 4.34Å; E292-F324 HydrophobicContact CB-CD1 4.05Å; E292-F324 HydrophobicContact CG-CD1 4.1Å; W293-F324 HydrophobicContact CB-CB 4.27Å; W293-F324 HydrophobicContact CB-CD1 4.2Å; W293-F324 HydrophobicContact CB-CD2 3.26Å; W293-F324 HydrophobicContact CB-CE1 4.39Å; W293-F324 HydrophobicContact CB-CE2 3.49Å; W293-F324 VanDerWaalsContact CB-CE2 3.49Å; W293-F324 HydrophobicContact CB-CG 3.65Å; W293-F324 HydrophobicContact CB-CZ 4.06Å; W293-F324 HydrophobicContact CG-CD2 4.06Å; W293-F324 HydrophobicContact CG-CE2 4.28Å; F324-M326 HydrophobicContact CE2-SD 4.27Å
325W95.7Very high89.5Confident10 Ų1042.2 Ų42.24%0.03821%0.205CC..EExtended strand (participates in β ladder)trans-95.9150.7168.5-66.891.8000111.4E270 L281 I282 R283 W297 W304 L315E270-W325 HydrophobicContact CB-CH2 3.88Å; E270-W325 HydrophobicContact CB-CZ3 4.01Å; E270-W325 HydrophobicContact CG-CH2 3.77Å; E270-W325 HydrophobicContact CG-CZ3 4.37Å; L281-W325 HydrophobicContact CB-CE3 3.63Å; L281-W325 HydrophobicContact CB-CZ3 3.97Å; I282-W325 WeakPolarHBondContact O-CA 3.19Å; R283-W325 HydrophobicContact CB-CD2 3.74Å; R283-W325 HydrophobicContact CB-CE3 3.67Å; R283-W325 HydrophobicContact CB-CG 4.48Å; R283-W325 HydrophobicContact CB-CH2 3.83Å; R283-W325 HydrophobicContact CB-CZ2 3.89Å; R283-W325 HydrophobicContact CB-CZ3 3.73Å; R283-W325 HydrophobicContact CG-CD2 4Å; R283-W325 HydrophobicContact CG-CE3 4.43Å; R283-W325 HydrophobicContact CG-CG 4.35Å; R283-W325 HydrophobicContact CG-CZ2 4.18Å; W297-W325 CarbonylContact C-O 3.48Å; W297-W325 HydrophobicContact CB-CB 4.25Å; W297-W325 VanDerWaalsContact O-O 3.11Å; W304-W325 HydrophobicContact CH2-CB 4.16Å; W304-W325 AromaticContact CH2-CD1 3.75Å; W304-W325 HydrophobicContact CH2-CD2 4.4Å; W304-W325 AromaticContact CH2-CG 3.86Å; W304-W325 HydrophobicContact CH2-CG 3.86Å; W304-W325 HydrophobicContact CZ2-CB 3.78Å; W304-W325 AromaticContact CZ2-CD1 3.64Å; W304-W325 AromaticContact CZ2-CG 3.82Å; W304-W325 HydrophobicContact CZ2-CG 3.82Å; L315-W325 HydrophobicContact CB-CZ2 4.31Å; L315-W325 HydrophobicContact CD2-CH2 4.04Å; L315-W325 HydrophobicContact CD2-CZ2 3.59Å; L315-W325 HydrophobicContact CG-CZ2 4.43Å; L315-W325 PolarHBondContact O-NE1 3.45Å
326M96.4Very high89.9Confident0 Ų041.8 Ų41.80%020%0.203CC..EExtended strand (participates in β ladder)trans-146.1162.3167.269.1-173.8-42.500110.6L281 I282 L284 W293 F324 D330 F331 Q334 F335L281-M326 WeakPolarHBondContact CA-O 3.35Å; I282-M326 HydrophobicContact CG2-CG 3.71Å; I282-M326 PolarHBondContact N-O 3.46Å; I282-M326 PolarHBondContact O-N 2.85Å; L284-M326 HydrophobicContact CD1-SD 3.73Å; W293-M326 HydrophobicContact CD2-CE 4.19Å; W293-M326 HydrophobicContact CE3-CE 4.25Å; W293-M326 HydrophobicContact CH2-CE 4.07Å; W293-M326 HydrophobicContact CZ2-CE 4.03Å; W293-M326 HydrophobicContact CZ3-CE 4.18Å; F324-M326 HydrophobicContact CE2-SD 4.27Å; M326-D330 HydrophobicContact CE-CB 3.73Å; M326-F331 HydrophobicContact CG-CB 4.3Å; M326-F331 HydrophobicContact SD-CB 4.04Å; M326-F331 HydrophobicContact SD-CD2 4.41Å; M326-Q334 HydrophobicContact CE-CG 4.27Å; M326-F335 HydrophobicContact CE-CE2 4.4Å; M326-F335 HydrophobicContact SD-CD2 4.36Å; M326-F335 HydrophobicContact SD-CE2 3.79Å
327S96.5Very high90.4Very high7 Ų746.1 Ų46.15%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-64.4144.8172770000110.3E279 S329 D330 F331E279-S327 WeakPolarHBondContact OE1-CB 3.2Å; S327-S329 PolarHBondContact O-N 3.27Å; S327-D330 PolarHBondContact O-N 3.33Å; S327-D330 VanDerWaalsContact O-N 3.11Å; S327-D330 WeakPolarHBondContact OG-CB 3.36Å; S327-D330 PolarHBondContact OG-N 3.37Å; S327-D330 PolarHBondContact OG-OD2 3.18Å; S327-F331 PolarHBondContact O-N 2.85Å
328F96.3Very high91.2Very high24 Ų2439.5 Ų39.511%0.10519%0.189CC..Hα-helixtrans-62.1-29.4175.4-171.4-113.2000111.6L224 Y225 I228 K280 F331 L332L224-F328 HydrophobicContact CB-CZ 4.26Å; L224-F328 HydrophobicContact CD2-CZ 4.21Å; L224-F328 HydrophobicContact CG-CZ 4.2Å; Y225-F328 HydrophobicContact CD2-CB 4.26Å; Y225-F328 HydrophobicContact CD2-CD1 4.09Å; Y225-F328 AromaticContact CD2-CD2 3.74Å; Y225-F328 HydrophobicContact CD2-CD2 3.74Å; Y225-F328 HydrophobicContact CD2-CE1 4.38Å; Y225-F328 HydrophobicContact CD2-CE2 4.05Å; Y225-F328 AromaticContact CD2-CG 3.76Å; Y225-F328 HydrophobicContact CD2-CG 3.76Å; Y225-F328 HydrophobicContact CD2-CZ 4.36Å; Y225-F328 HydrophobicContact CE2-CD2 4.44Å; Y225-F328 HydrophobicContact CE2-CG 4.44Å; I228-F328 HydrophobicContact CD1-CE2 3.81Å; I228-F328 HydrophobicContact CD1-CZ 4.37Å; K280-F328 HydrophobicContact CB-CB 3.93Å; K280-F328 WeakPolarHBondContact O-CB 3.2Å; K280-F328 PolarHBondContact O-N 3.38Å; F328-F331 AromaticContact CD2-CD1 3.92Å; F328-F331 HydrophobicContact CD2-CD1 3.92Å; F328-F331 AromaticContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CE1 4.14Å; F328-F331 WeakPolarHBondContact O-CB 3.49Å; F328-F331 PolarHBondContact O-N 3.38Å; F328-L332 HydrophobicContact CD1-CD1 4.13Å; F328-L332 HydrophobicContact CD1-CG 4.44Å; F328-L332 HydrophobicContact CE1-CD1 3.76Å; F328-L332 HydrophobicContact CE1-CD2 4.36Å; F328-L332 HydrophobicContact CE1-CG 4.13Å; F328-L332 HydrophobicContact CZ-CD1 4.32Å; F328-L332 HydrophobicContact CZ-CD2 4.07Å; F328-L332 HydrophobicContact CZ-CG 4.27Å; F328-L332 WeakPolarHBondContact O-CG 3.21Å; F328-L332 PolarHBondContact O-N 3.07Å; F328-L332 VanDerWaalsContact O-N 3.12Å
329S95.1Very high91.9Very high59 Ų5933.2 Ų33.241%0.41317%0.166SC..Hα-helixtrans-63.3-43.7173.5-172.10000112.1S327 K333S327-S329 PolarHBondContact O-N 3.27Å; S329-K333 WeakPolarHBondContact O-CG 3.29Å; S329-K333 PolarHBondContact O-N 2.97Å; S329-K333 PolarHBondContact OG-NZ 3.32Å
330D95.8Very high92.3Very high33 Ų3331.3 Ų31.318%0.17615%0.15CC..Hα-helixtrans-71.4-36.5177-66.9-36.6000111.4W293 M326 S327 L332 K333 Q334W293-D330 HydrophobicContact CZ2-CB 4.32Å; M326-D330 HydrophobicContact CE-CB 3.73Å; S327-D330 PolarHBondContact O-N 3.33Å; S327-D330 VanDerWaalsContact O-N 3.11Å; S327-D330 WeakPolarHBondContact OG-CB 3.36Å; S327-D330 PolarHBondContact OG-N 3.37Å; S327-D330 PolarHBondContact OG-OD2 3.18Å; D330-L332 VanDerWaalsContact C-N 3.34Å; D330-L332 PolarHBondContact O-N 3.46Å; D330-K333 PolarHBondContact O-N 3.36Å; D330-K333 VanDerWaalsContact O-N 3.08Å; D330-K333 IonicContact OD1-NZ 3.72Å; D330-Q334 WeakPolarHBondContact O-CB 3.29Å; D330-Q334 VanDerWaalsContact O-CG 3.23Å; D330-Q334 WeakPolarHBondContact O-CG 3.19Å; D330-Q334 PolarHBondContact O-N 3.16Å
331F96.3Very high92.8Very high0 Ų025.9 Ų25.90%013%0.125CC..Hα-helixtrans-53.8-50172.5172.7-108.5000111.9L217 C240 I282 L284 M326 S327 F328 K333 Q334 F335 L338L217-F331 HydrophobicContact CD1-CD1 4.46Å; L217-F331 HydrophobicContact CD1-CE1 3.66Å; L217-F331 HydrophobicContact CD1-CE2 4.07Å; L217-F331 HydrophobicContact CD1-CZ 3.43Å; L217-F331 VanDerWaalsContact CD1-CZ 3.43Å; L217-F331 HydrophobicContact CD2-CE1 3.87Å; L217-F331 HydrophobicContact CD2-CZ 4.31Å; L217-F331 HydrophobicContact CG-CE1 4.42Å; C240-F331 HydrophobicContact CB-CE2 3.94Å; C240-F331 HydrophobicContact CB-CZ 4.13Å; I282-F331 HydrophobicContact CD1-CD1 4.03Å; I282-F331 HydrophobicContact CD1-CD2 4.18Å; I282-F331 HydrophobicContact CD1-CE1 4.01Å; I282-F331 HydrophobicContact CD1-CE2 4.16Å; I282-F331 HydrophobicContact CD1-CG 4.11Å; I282-F331 HydrophobicContact CD1-CZ 4.07Å; I282-F331 HydrophobicContact CG2-CB 3.68Å; I282-F331 HydrophobicContact CG2-CD2 4.35Å; I282-F331 HydrophobicContact CG2-CG 3.98Å; L284-F331 HydrophobicContact CD1-CD2 4.05Å; L284-F331 HydrophobicContact CD1-CE2 4.33Å; L284-F331 HydrophobicContact CD2-CE2 4.3Å; M326-F331 HydrophobicContact CG-CB 4.3Å; M326-F331 HydrophobicContact SD-CB 4.04Å; M326-F331 HydrophobicContact SD-CD2 4.41Å; S327-F331 PolarHBondContact O-N 2.85Å; F328-F331 AromaticContact CD2-CD1 3.92Å; F328-F331 HydrophobicContact CD2-CD1 3.92Å; F328-F331 AromaticContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CD1 3.74Å; F328-F331 HydrophobicContact CE2-CE1 4.14Å; F328-F331 WeakPolarHBondContact O-CB 3.49Å; F328-F331 PolarHBondContact O-N 3.38Å; F331-K333 VanDerWaalsContact C-N 3.26Å; F331-K333 PolarHBondContact O-N 2.95Å; F331-Q334 PolarHBondContact O-N 3.22Å; F331-F335 HydrophobicContact CD2-CB 4.05Å; F331-F335 AromaticContact CD2-CD2 3.47Å; F331-F335 HydrophobicContact CD2-CD2 3.47Å; F331-F335 VanDerWaalsContact CD2-CD2 3.47Å; F331-F335 HydrophobicContact CD2-CE2 4.09Å; F331-F335 AromaticContact CD2-CG 3.81Å; F331-F335 HydrophobicContact CD2-CG 3.81Å; F331-F335 HydrophobicContact CE2-CB 3.83Å; F331-F335 HydrophobicContact CE2-CD1 4.27Å; F331-F335 AromaticContact CE2-CD2 3.87Å; F331-F335 HydrophobicContact CE2-CD2 3.87Å; F331-F335 AromaticContact CE2-CG 3.72Å; F331-F335 HydrophobicContact CE2-CG 3.72Å; F331-F335 HydrophobicContact CG-CD2 4.44Å; F331-F335 HydrophobicContact CZ-CB 4.43Å; F331-F335 WeakPolarHBondContact O-CB 2.85Å; F331-F335 PolarHBondContact O-N 3.4Å; F331-L338 HydrophobicContact CZ-CD1 4.32Å
332L95Very high92.7Very high46 Ų4625.9 Ų25.924%0.24113%0.125CC..Hα-helixtrans-64.4-27.2178.1-65.6179.6000113.7L217 P220 L224 F328 D330L217-L332 HydrophobicContact CB-CD2 4.39Å; L217-L332 HydrophobicContact CD2-CD2 3.99Å; P220-L332 HydrophobicContact CB-CD2 4.02Å; P220-L332 HydrophobicContact CG-CD1 4.15Å; P220-L332 HydrophobicContact CG-CD2 4Å; L224-L332 HydrophobicContact CD2-CD2 4.08Å; F328-L332 HydrophobicContact CD1-CD1 4.13Å; F328-L332 HydrophobicContact CD1-CG 4.44Å; F328-L332 HydrophobicContact CE1-CD1 3.76Å; F328-L332 HydrophobicContact CE1-CD2 4.36Å; F328-L332 HydrophobicContact CE1-CG 4.13Å; F328-L332 HydrophobicContact CZ-CD1 4.32Å; F328-L332 HydrophobicContact CZ-CD2 4.07Å; F328-L332 HydrophobicContact CZ-CG 4.27Å; F328-L332 WeakPolarHBondContact O-CG 3.21Å; F328-L332 PolarHBondContact O-N 3.07Å; F328-L332 VanDerWaalsContact O-N 3.12Å; D330-L332 VanDerWaalsContact C-N 3.34Å; D330-L332 PolarHBondContact O-N 3.46Å
333K94.1Very high92.3Very high141 Ų14127 Ų2761%0.61313%0.131SC*.Hα-helixtrans-81.3-37178-70.8166.7-171.1155.50112.7S329 D330 F331S329-K333 WeakPolarHBondContact O-CG 3.29Å; S329-K333 PolarHBondContact O-N 2.97Å; S329-K333 PolarHBondContact OG-NZ 3.32Å; D330-K333 PolarHBondContact O-N 3.36Å; D330-K333 VanDerWaalsContact O-N 3.08Å; D330-K333 IonicContact OD1-NZ 3.72Å; F331-K333 VanDerWaalsContact C-N 3.26Å; F331-K333 PolarHBondContact O-N 2.95Å
334Q94.4Very high91.2Very high53 Ų5326.9 Ų26.925%0.24813%0.131CC..Hα-helixtrans-91.3-39.4-172.1-60.5-61.3-26.800112.3L258 W293 M326 D330 F331L258-Q334 HydrophobicContact CD1-CB 3.73Å; L258-Q334 HydrophobicContact CD1-CG 4Å; W293-Q334 HydrophobicContact CH2-CG 4.19Å; W293-Q334 HydrophobicContact CZ3-CG 4.15Å; M326-Q334 HydrophobicContact CE-CG 4.27Å; D330-Q334 WeakPolarHBondContact O-CB 3.29Å; D330-Q334 VanDerWaalsContact O-CG 3.23Å; D330-Q334 WeakPolarHBondContact O-CG 3.19Å; D330-Q334 PolarHBondContact O-N 3.16Å; F331-Q334 PolarHBondContact O-N 3.22Å
335F94.9Very high89.5Confident3 Ų328.5 Ų28.51%0.01314%0.142CC..  trans-91.8150.2-176.8-70.5-98000111.8L217 C240 I242 L258 Y264 L284 M326 F331L217-F335 HydrophobicContact CD1-CB 3.49Å; L217-F335 VanDerWaalsContact CD1-CB 3.49Å; C240-F335 HydrophobicContact CB-CD1 4.02Å; I242-F335 HydrophobicContact CD1-CD1 4.44Å; I242-F335 HydrophobicContact CD1-CE1 4.23Å; I242-F335 HydrophobicContact CD1-CZ 4.36Å; I242-F335 HydrophobicContact CG1-CD1 3.7Å; I242-F335 HydrophobicContact CG1-CE1 3.88Å; I242-F335 HydrophobicContact CG1-CG 4.14Å; I242-F335 HydrophobicContact CG1-CZ 4.46Å; L258-F335 HydrophobicContact CD1-CE2 4.07Å; L258-F335 HydrophobicContact CD1-CZ 4.45Å; L258-F335 HydrophobicContact CD2-CE2 4.49Å; L258-F335 HydrophobicContact CD2-CZ 4.3Å; Y264-F335 AromaticContact CD2-CE1 3.74Å; Y264-F335 HydrophobicContact CD2-CE1 3.74Å; Y264-F335 HydrophobicContact CD2-CZ 4.28Å; Y264-F335 HydrophobicContact CE2-CE1 4.26Å; Y264-F335 HydrophobicContact CG-CE1 4.06Å; Y264-F335 HydrophobicContact CG-CZ 4.37Å; L284-F335 HydrophobicContact CD1-CD2 4.26Å; L284-F335 HydrophobicContact CD1-CE1 4.11Å; L284-F335 HydrophobicContact CD1-CE2 3.43Å; L284-F335 VanDerWaalsContact CD1-CE2 3.43Å; L284-F335 HydrophobicContact CD1-CZ 3.35Å; M326-F335 HydrophobicContact CE-CE2 4.4Å; M326-F335 HydrophobicContact SD-CD2 4.36Å; M326-F335 HydrophobicContact SD-CE2 3.79Å; F331-F335 HydrophobicContact CD2-CB 4.05Å; F331-F335 AromaticContact CD2-CD2 3.47Å; F331-F335 HydrophobicContact CD2-CD2 3.47Å; F331-F335 VanDerWaalsContact CD2-CD2 3.47Å; F331-F335 HydrophobicContact CD2-CE2 4.09Å; F331-F335 AromaticContact CD2-CG 3.81Å; F331-F335 HydrophobicContact CD2-CG 3.81Å; F331-F335 HydrophobicContact CE2-CB 3.83Å; F331-F335 HydrophobicContact CE2-CD1 4.27Å; F331-F335 AromaticContact CE2-CD2 3.87Å; F331-F335 HydrophobicContact CE2-CD2 3.87Å; F331-F335 AromaticContact CE2-CG 3.72Å; F331-F335 HydrophobicContact CE2-CG 3.72Å; F331-F335 HydrophobicContact CG-CD2 4.44Å; F331-F335 HydrophobicContact CZ-CB 4.43Å; F331-F335 WeakPolarHBondContact O-CB 2.85Å; F331-F335 PolarHBondContact O-N 3.4Å
336S93.4Very high87.5Confident8 Ų833.6 Ų33.66%0.05617%0.17CC..  trans-104.9-34.8-178.4-63.80000112.4L217 R218 S241 D243L217-S336 PolarHBondContact N-O 3.26Å; R218-S336 PolarHBondContact NH2-OG 3.03Å; S241-S336 PolarHBondContact O-N 2.61Å; D243-S336 PolarHBondContact N-OG 2.96Å
337R92.1Very high85.3Confident108 Ų10834.4 Ų34.441%0.40818%0.175SC..EExtended strand (participates in β ladder)trans-135.1142.6-174-58.5-176.9-168.4-173.63.4111.7C240 S241 D243C240-R337 WeakPolarHBondContact CA-O 3.05Å; C240-R337 VanDerWaalsContact CB-O 3.25Å; C240-R337 WeakPolarHBondContact CB-O 3.48Å; S241-R337 PolarHBondContact N-O 3.07Å; S241-R337 PolarHBondContact O-N 2.67Å; S241-R337 VanDerWaalsContact O-N 3.15Å; D243-R337 WeakPolarHBondContact OD1-CD 3.32Å; D243-R337 IonicContact OD1-CZ 3.81Å; D243-R337 IonicContact OD1-NE 3.59Å; D243-R337 PolarHBondContact OD1-NE 2.95Å; D243-R337 IonicContact OD1-NH2 2.95Å; D243-R337 PolarHBondContact OD1-NH2 2.67Å; D243-R337 IonicContact OD2-CZ 2.8Å; D243-R337 IonicContact OD2-NE 3.56Å; D243-R337 PolarHBondContact OD2-NE 2.76Å; D243-R337 VanDerWaalsContact OD2-NE 3.08Å; D243-R337 IonicContact OD2-NH2 2.79Å; D243-R337 PolarHBondContact OD2-NH2 3.02Å
338L93.1Very high83.1Confident0 Ų035.4 Ų35.40%018%0.18CC..EExtended strand (participates in β ladder)trans-120134.1166.2172.979.9000108.8Y215 L217 L224 I228 C240 V266 F331 I340Y215-L338 HydrophobicContact CD2-CD2 4.2Å; Y215-L338 PolarHBondContact N-O 3.33Å; Y215-L338 PolarHBondContact O-N 3.39Å; L217-L338 HydrophobicContact CD1-CB 4.26Å; L217-L338 HydrophobicContact CD2-CB 3.8Å; L217-L338 HydrophobicContact CG-CB 4.17Å; L224-L338 HydrophobicContact CD1-CD2 3.84Å; L224-L338 HydrophobicContact CG-CD2 4.46Å; I228-L338 HydrophobicContact CD1-CD2 3.76Å; I228-L338 HydrophobicContact CG1-CD2 3.68Å; C240-L338 HydrophobicContact CB-CD1 4.41Å; V266-L338 HydrophobicContact CG2-CD1 3.85Å; F331-L338 HydrophobicContact CZ-CD1 4.32Å; L338-I340 HydrophobicContact CD2-CD1 3.95Å; L338-I340 HydrophobicContact CD2-CG1 4.09Å; L338-I340 HydrophobicContact CG-CG1 4.08Å
339E91.6Very high80.8Confident10 Ų1039.8 Ų39.85%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-117.3124.1-179.3-65.2-179.3-178.900107.9S199 T200 I201 E213 F214 L238 G239S199-E339 PolarHBondContact OG-OE1 3.45Å; S199-E339 PolarHBondContact OG-OE2 3Å; T200-E339 VanDerWaalsContact CB-OE2 3.26Å; T200-E339 WeakPolarHBondContact CB-OE2 3.37Å; T200-E339 PolarHBondContact N-OE2 3.43Å; T200-E339 PolarHBondContact OG1-OE2 2.98Å; I201-E339 HydrophobicContact CD1-CB 3.64Å; I201-E339 HydrophobicContact CD1-CG 3.53Å; I201-E339 HydrophobicContact CG1-CB 3.8Å; I201-E339 HydrophobicContact CG1-CG 4.05Å; I201-E339 WeakPolarHBondContact CG1-OE2 3.49Å; I201-E339 PolarHBondContact N-OE2 3.19Å; E213-E339 WeakPolarHBondContact O-CA 3.17Å; F214-E339 HydrophobicContact CD1-CG 3.88Å; F214-E339 HydrophobicContact CE1-CG 3.92Å; L238-E339 WeakPolarHBondContact CA-O 3.11Å; G239-E339 PolarHBondContact N-O 3.17Å; G239-E339 PolarHBondContact O-N 3.02Å
340I89.1Confident78.5Confident2 Ų238.8 Ų38.81%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-123.1118.2178.1-52-171.9000108.5S212 E213 Y215 I227 A231 L238 L338S212-I340 CarbonylContact C-O 3.48Å; S212-I340 VanDerWaalsContact CA-O 3.27Å; S212-I340 WeakPolarHBondContact CA-O 3.4Å; E213-I340 PolarHBondContact N-O 3.29Å; E213-I340 PolarHBondContact O-N 3.31Å; Y215-I340 HydrophobicContact CD2-CD1 4.11Å; Y215-I340 HydrophobicContact CD2-CG1 4.27Å; Y215-I340 HydrophobicContact CE2-CD1 3.7Å; Y215-I340 HydrophobicContact CE2-CG1 4.11Å; I227-I340 HydrophobicContact CG2-CD1 3.99Å; A231-I340 HydrophobicContact CB-CD1 4.39Å; A231-I340 HydrophobicContact CB-CG2 3.86Å; L238-I340 HydrophobicContact CD1-CG2 4.28Å; L238-I340 HydrophobicContact CD2-CD1 4.37Å; L238-I340 HydrophobicContact CD2-CG1 4.34Å; L238-I340 HydrophobicContact CG-CB 4.5Å; L238-I340 HydrophobicContact CG-CG1 4.1Å; L238-I340 HydrophobicContact CG-CG2 4.2Å; L338-I340 HydrophobicContact CD2-CD1 3.95Å; L338-I340 HydrophobicContact CD2-CG1 4.09Å; L338-I340 HydrophobicContact CG-CG1 4.08Å
341C89.4Confident76Confident0 Ų044.1 Ų44.10%024%0.235CC..EExtended strand (participates in β ladder)trans-96.3107.3171.2-1680000110.1F204 I211 S212 S236 L237F204-C341 HydrophobicContact CB-CB 3.4Å; F204-C341 HydrophobicContact CD2-CB 3.75Å; F204-C341 HydrophobicContact CG-CB 3.83Å; I211-C341 CarbonylContact O-C 3.47Å; S212-C341 WeakPolarHBondContact OG-CB 3.31Å; S212-C341 PolarHBondContact OG-SG 2.95Å; S236-C341 WeakPolarHBondContact CA-O 3.49Å; S236-C341 VanDerWaalsContact CB-O 3.23Å; S236-C341 WeakPolarHBondContact CB-O 3.49Å; L237-C341 HydrophobicContact CB-CB 4.33Å; L237-C341 PolarHBondContact N-O 3.3Å; L237-C341 VanDerWaalsContact N-O 3.11Å; L237-C341 PolarHBondContact O-N 2.91Å
342N79Confident73.6Confident26 Ų2652.9 Ų52.914%0.13928%0.276CS..EExtended strand (participates in β ladder)trans-80.7137173.7-63.8-42.9000109.7G210 I211 E213 S236G210-N342 CarbonylContact C-O 3.52Å; G210-N342 WeakPolarHBondContact CA-O 3.24Å; I211-N342 HydrophobicContact CG2-CB 4.48Å; I211-N342 PolarHBondContact N-O 3Å; I211-N342 PolarHBondContact O-N 3.4Å; E213-N342 PolarHBondContact OE1-ND2 3.03Å; S236-N342 PolarHBondContact OG-OD1 3.24Å; S236-N342 VanDerWaalsContact OG-OD1 3.11Å
343L75.5Confident71.6Confident24 Ų2453.5 Ų53.513%0.12628%0.279CS..PPolyproline II helixtrans-70.4143.4-174.4-57.1-179.3000111.5L120 T208 L348L120-L343 HydrophobicContact CD1-CD1 3.86Å; L120-L343 HydrophobicContact CD1-CD2 3.43Å; L120-L343 VanDerWaalsContact CD1-CD2 3.43Å; L120-L343 HydrophobicContact CD1-CG 4.3Å; L120-L343 HydrophobicContact CD2-CD2 4.36Å; T208-L343 HydrophobicContact CG2-CD2 3.78Å; L343-L348 HydrophobicContact CD1-CD1 3.32Å; L343-L348 HydrophobicContact CD1-CG 3.83Å
344S67.1Low69.8Low10 Ų1051.6 Ų51.67%0.0727%0.272CS..PPolyproline II helixtrans-70.4161.7173670000110.4G209 D346 S347G209-S344 WeakPolarHBondContact O-CB 3.25Å; S344-D346 PolarHBondContact O-N 3.44Å; S344-D346 VanDerWaalsContact O-N 3.09Å; S344-S347 PolarHBondContact N-OG 3.15Å; S344-S347 VanDerWaalsContact O-CB 3.23Å; S344-S347 WeakPolarHBondContact O-CB 3.24Å; S344-S347 PolarHBondContact O-N 3.2Å; S344-S347 PolarHBondContact O-OG 3.29Å; S344-S347 PolarHBondContact OG-OG 3.27Å
345P58.8Low68.3Low34 Ų3453.9 Ų53.922%0.22128%0.281CS..THydrogen-bonded Turntrans-58.8-27.6-179.1-23.437.2000112.9S347 W356P345-S347 VanDerWaalsContact C-N 3.34Å; P345-W356 HydrophobicContact CG-CB 4.34Å; P345-W356 WeakPolarHBondContact CG-O 3.35Å
346D53.2Low67.4Low117 Ų11755.6 Ų55.663%0.62629%0.288SS*.THydrogen-bonded Turntrans-83.7-6.3-179.4-61.3-32.8000113.7N21 S344N21-D346 PolarHBondContact ND2-O 3.4Å; S344-D346 PolarHBondContact O-N 3.44Å; S344-D346 VanDerWaalsContact O-N 3.09Å
347S51.4Low66.8Low18 Ų1857.8 Ų57.813%0.12630%0.299CS..THydrogen-bonded Turntrans-80.8-30.5-174.1-650000113.4T208 S344 P345T208-S347 PolarHBondContact O-OG 3.47Å; S344-S347 PolarHBondContact N-OG 3.15Å; S344-S347 VanDerWaalsContact O-CB 3.23Å; S344-S347 WeakPolarHBondContact O-CB 3.24Å; S344-S347 PolarHBondContact O-N 3.2Å; S344-S347 PolarHBondContact O-OG 3.29Å; S344-S347 PolarHBondContact OG-OG 3.27Å; P345-S347 VanDerWaalsContact C-N 3.34Å
348L50.3Low66.5Low28 Ų2855 Ų5515%0.14729%0.292CS..  trans-141.3121.7-178.4-68.1175.7000111.2K119 L343 S350 I353K119-L348 HydrophobicContact CB-CD2 4.16Å; K119-L348 HydrophobicContact CD-CD2 3.96Å; L343-L348 HydrophobicContact CD1-CD1 3.32Å; L343-L348 HydrophobicContact CD1-CG 3.83Å; L348-S350 PolarHBondContact O-N 3.09Å; L348-S350 VanDerWaalsContact O-N 3.11Å; L348-I353 HydrophobicContact CB-CD1 4.45Å; L348-I353 HydrophobicContact CD1-CD1 3.57Å
349S47.8Very low66.2Low115 Ų11557 Ų5780%0.80430%0.303SS*.  trans-77.719.1175.968.90000114
350S45.3Very low66.1Low39 Ų3959 Ų5927%0.27331%0.314SS..  trans-85.7130.7-178.8-168.90000110L348 E352L348-S350 PolarHBondContact O-N 3.09Å; L348-S350 VanDerWaalsContact O-N 3.11Å; S350-E352 PolarHBondContact O-N 2.89Å
351D44.5Very low66.2Low144 Ų14460.1 Ų60.177%0.7732%0.319SS*.THydrogen-bonded Turntrans-74.3-3.4179.7-68.1-35.1000113.6K355D351-K355 IonicContact OD1-NZ 2.78Å
352E44.5Very low66.2Low184 Ų18464.2 Ų64.286%0.8634%0.341SS*.THydrogen-bonded Turntrans-90.8-4.9-176.5-65.9-176.8164.200114.7S350S350-E352 PolarHBondContact O-N 2.89Å
353I54.2Low66.7Low60 Ų6063.7 Ų63.731%0.30834%0.342SS..SBendtrans-110.5129.4-175.2-57.2172.8000109.7L348 K355L348-I353 HydrophobicContact CB-CD1 4.45Å; L348-I353 HydrophobicContact CD1-CD1 3.57Å; I353-K355 WeakPolarHBondContact O-CG 3.41Å; I353-K355 PolarHBondContact O-N 3.46Å; I353-K355 VanDerWaalsContact O-N 3.09Å
354H55.7Low67.5Low100 Ų10067 Ų6746%0.46335%0.353SS..  trans-55.6114.8174.4-146.590.2000109.5E502H354-E502 VanDerWaalsContact NE2-CG 3.32Å; H354-E502 WeakPolarHBondContact NE2-CG 3.49Å; H354-E502 IonicContact NE2-OE1 2.83Å
355K63.2Low68.8Low101 Ų10166.5 Ų66.544%0.43935%0.349SS..  trans-88.1115.2-175.3-66.2179.3-175.1166.40108.8D351 I353D351-K355 IonicContact OD1-NZ 2.78Å; I353-K355 WeakPolarHBondContact O-CG 3.41Å; I353-K355 PolarHBondContact O-N 3.46Å; I353-K355 VanDerWaalsContact O-N 3.09Å
356W75.1Confident70.2Confident39 Ų3965.1 Ų65.115%0.14834%0.34CS..  trans-58.8153.2167.3-68.892.5000110P345 T408 L410 F500 S501 E502P345-W356 HydrophobicContact CG-CB 4.34Å; P345-W356 WeakPolarHBondContact CG-O 3.35Å; W356-T408 HydrophobicContact CH2-CG2 3.98Å; W356-T408 HydrophobicContact CZ3-CG2 4.29Å; W356-L410 HydrophobicContact CD2-CD1 4.48Å; W356-L410 HydrophobicContact CE3-CD1 3.96Å; W356-L410 HydrophobicContact CH2-CD1 3.11Å; W356-L410 HydrophobicContact CZ2-CD1 3.68Å; W356-L410 HydrophobicContact CZ3-CD1 3.26Å; W356-F500 HydrophobicContact CB-CD1 3.94Å; W356-F500 HydrophobicContact CD2-CB 4.44Å; W356-F500 HydrophobicContact CE3-CB 4.02Å; W356-F500 HydrophobicContact CG-CD1 4.36Å; W356-S501 VanDerWaalsContact CE3-C 3.49Å; W356-E502 HydrophobicContact CZ3-CB 4.12Å
357N81Confident71.9Confident55 Ų5566.2 Ų66.229%0.29434%0.336SS..EExtended strand (participates in β ladder)trans-95132.2164.7-69.3-87.7000107.7F500 S501 E502 K503 K504N357-F500 CarbonylContact O-C 3.53Å; N357-F500 WeakPolarHBondContact O-CA 3.29Å; N357-S501 PolarHBondContact N-O 2.94Å; N357-S501 PolarHBondContact O-N 3.38Å; N357-E502 PolarHBondContact ND2-O 2.76Å; N357-K503 VanDerWaalsContact ND2-C 3.32Å; N357-K503 PolarHBondContact ND2-O 3.17Å; N357-K504 PolarHBondContact ND2-N 2.73Å
358L85.9Confident73.2Confident50 Ų5065.7 Ų65.726%0.26233%0.333SS..EExtended strand (participates in β ladder)trans-118.6124.5-176.4175.754.9000110.9I360 R498 V499 F500L358-I360 HydrophobicContact CD1-CD1 4.44Å; L358-I360 HydrophobicContact CD1-CG1 3.8Å; L358-I360 HydrophobicContact CD2-CD1 4.03Å; L358-I360 HydrophobicContact CD2-CG1 4.23Å; L358-I360 HydrophobicContact CG-CD1 4.25Å; L358-I360 HydrophobicContact CG-CG1 3.89Å; L358-R498 HydrophobicContact CD1-CB 4.25Å; L358-V499 WeakPolarHBondContact CA-O 3.47Å; L358-F500 HydrophobicContact CB-CD1 4.39Å; L358-F500 HydrophobicContact CB-CE1 4.27Å; L358-F500 HydrophobicContact CD1-CD1 4.08Å; L358-F500 HydrophobicContact CD1-CD2 3.77Å; L358-F500 HydrophobicContact CD1-CE1 3.76Å; L358-F500 HydrophobicContact CD1-CE2 3.43Å; L358-F500 VanDerWaalsContact CD1-CE2 3.43Å; L358-F500 HydrophobicContact CD1-CG 4.09Å; L358-F500 HydrophobicContact CD1-CZ 3.42Å; L358-F500 VanDerWaalsContact CD1-CZ 3.42Å; L358-F500 HydrophobicContact CD2-CE1 3.92Å; L358-F500 HydrophobicContact CD2-CZ 3.84Å; L358-F500 HydrophobicContact CG-CE1 4.2Å; L358-F500 HydrophobicContact CG-CZ 4.17Å
359V88.4Confident74.9Confident40 Ų4064.8 Ų64.824%0.24233%0.329CS..EExtended strand (participates in β ladder)trans-119.2129.5166.1-171.70000109.3F361 V499 A507V359-F361 HydrophobicContact CB-CE2 4.38Å; V359-F361 HydrophobicContact CG1-CD2 4.42Å; V359-F361 HydrophobicContact CG1-CE1 4.26Å; V359-F361 HydrophobicContact CG1-CE2 3.61Å; V359-F361 HydrophobicContact CG1-CZ 3.5Å; V359-F361 VanDerWaalsContact CG1-CZ 3.5Å; V359-V499 HydrophobicContact CB-CB 4.46Å; V359-V499 PolarHBondContact N-O 3.26Å; V359-V499 PolarHBondContact O-N 2.96Å; V359-A507 HydrophobicContact CB-CB 4.28Å; V359-A507 HydrophobicContact CG1-CB 4.1Å; V359-A507 HydrophobicContact CG2-CB 4.4Å
360I89.5Confident76.9Confident52 Ų5259.3 Ų59.327%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-115.6128.4-179.5-59.6-179.5000109.8L358 C496 L497 R498L358-I360 HydrophobicContact CD1-CD1 4.44Å; L358-I360 HydrophobicContact CD1-CG1 3.8Å; L358-I360 HydrophobicContact CD2-CD1 4.03Å; L358-I360 HydrophobicContact CD2-CG1 4.23Å; L358-I360 HydrophobicContact CG-CD1 4.25Å; L358-I360 HydrophobicContact CG-CG1 3.89Å; I360-C496 WeakPolarHBondContact CG2-SG 3.39Å; I360-L497 WeakPolarHBondContact CA-O 3.48Å; I360-R498 HydrophobicContact CG1-CG 4.46Å
361F90.4Very high79.1Confident27 Ų2757.5 Ų57.512%0.11828%0.278CS..EExtended strand (participates in β ladder)trans-112.5134.5170.4-59.9-77.8000111V359 F387 C496 L497 V499 A507V359-F361 HydrophobicContact CB-CE2 4.38Å; V359-F361 HydrophobicContact CG1-CD2 4.42Å; V359-F361 HydrophobicContact CG1-CE1 4.26Å; V359-F361 HydrophobicContact CG1-CE2 3.61Å; V359-F361 HydrophobicContact CG1-CZ 3.5Å; V359-F361 VanDerWaalsContact CG1-CZ 3.5Å; F361-F387 HydrophobicContact CB-CD1 3.78Å; F361-F387 HydrophobicContact CB-CE1 3.39Å; F361-F387 HydrophobicContact CB-CZ 4Å; F361-F387 AromaticContact CD1-CD1 3.7Å; F361-F387 HydrophobicContact CD1-CD1 3.7Å; F361-F387 AromaticContact CD1-CE1 3.81Å; F361-F387 HydrophobicContact CD1-CE1 3.81Å; F361-F387 AromaticContact CD2-CD1 3.78Å; F361-F387 HydrophobicContact CD2-CD1 3.78Å; F361-F387 HydrophobicContact CD2-CE1 4.3Å; F361-F387 HydrophobicContact CD2-CG 4.35Å; F361-F387 HydrophobicContact CE1-CD1 4.27Å; F361-F387 HydrophobicContact CE2-CD1 4.33Å; F361-F387 AromaticContact CG-CD1 3.44Å; F361-F387 HydrophobicContact CG-CD1 3.44Å; F361-F387 VanDerWaalsContact CG-CD1 3.44Å; F361-F387 AromaticContact CG-CE1 3.56Å; F361-F387 HydrophobicContact CG-CE1 3.56Å; F361-F387 HydrophobicContact CG-CG 4.39Å; F361-C496 CarbonylContact O-C 3.51Å; F361-C496 VanDerWaalsContact O-CA 3.3Å; F361-C496 WeakPolarHBondContact O-CA 3.35Å; F361-L497 HydrophobicContact CB-CB 4.34Å; F361-L497 HydrophobicContact CD2-CD2 4.43Å; F361-L497 PolarHBondContact N-O 3.14Å; F361-L497 PolarHBondContact O-N 3.47Å; F361-V499 HydrophobicContact CE2-CG2 4.33Å; F361-A507 HydrophobicContact CE2-CB 3.63Å; F361-A507 VanDerWaalsContact CZ-C 3.48Å; F361-A507 HydrophobicContact CZ-CB 3.58Å
362N89.8Confident81.4Confident85 Ų8550.7 Ų50.746%0.45524%0.242SC..EExtended strand (participates in β ladder)trans-105.2117.9175-68.6-55.4000108.9K416N362-K416 PolarHBondContact OD1-NZ 2.84Å
363G89.8Confident83.8Confident16 Ų1641.9 Ų41.917%0.16520%0.201CC..EExtended strand (participates in β ladder)trans-129.7174.7-17800000112.8F495G363-F495 VanDerWaalsContact C-CE1 3.43Å; G363-F495 PolarHBondContact N-O 2.79Å; G363-F495 PolarHBondContact O-N 3.24Å
364R91.5Very high85.7Confident92 Ų9239.2 Ų39.235%0.34719%0.187SC..EExtended strand (participates in β ladder)trans-142.8138.8177.5-176175.7-179.3151.3-1.6110.3T370 G493 D494R364-T370 PolarHBondContact O-OG1 3.15Å; R364-G493 CarbonylContact C-O 3.49Å; R364-G493 WeakPolarHBondContact CA-O 3.34Å; R364-D494 VanDerWaalsContact CD-OD1 3.25Å; R364-D494 WeakPolarHBondContact CD-OD1 3.49Å; R364-D494 VanDerWaalsContact CG-OD1 3.28Å; R364-D494 WeakPolarHBondContact CG-OD1 3.48Å; R364-D494 IonicContact NE-OD1 3.4Å; R364-D494 IonicContact NH1-OD1 2.87Å
365W93.5Very high87.5Confident0 Ų037.3 Ų37.30%018%0.179CC..EExtended strand (participates in β ladder)trans-92.7117.6160.8-56.3-63.9000107.8A371 L413 I431 P484 T486 K491 D492 G493 F495W365-A371 HydrophobicContact CB-CB 3.99Å; W365-L413 HydrophobicContact CH2-CD1 4.26Å; W365-L413 HydrophobicContact CH2-CD2 4.26Å; W365-L413 HydrophobicContact CH2-CG 4.48Å; W365-L413 HydrophobicContact CZ2-CD1 4.31Å; W365-L413 HydrophobicContact CZ2-CD2 4.2Å; W365-I431 HydrophobicContact CH2-CB 4.35Å; W365-I431 HydrophobicContact CH2-CG2 3.73Å; W365-I431 HydrophobicContact CZ3-CG2 3.9Å; W365-P484 HydrophobicContact CZ2-CB 4.24Å; W365-P484 PolarHBondContact NE1-O 3.26Å; W365-P484 VanDerWaalsContact NE1-O 3.08Å; W365-T486 HydrophobicContact CD2-CG2 3.95Å; W365-T486 HydrophobicContact CE3-CG2 3.72Å; W365-T486 HydrophobicContact CH2-CG2 4.41Å; W365-T486 HydrophobicContact CZ3-CG2 3.97Å; W365-K491 WeakPolarHBondContact CB-O 3.42Å; W365-D492 VanDerWaalsContact O-CA 3.32Å; W365-D492 WeakPolarHBondContact O-CA 3.19Å; W365-G493 PolarHBondContact N-O 2.81Å; W365-G493 PolarHBondContact O-N 3.11Å; W365-F495 AromaticContact CD2-CD1 3.63Å; W365-F495 HydrophobicContact CD2-CD1 3.63Å; W365-F495 HydrophobicContact CD2-CE1 4.02Å; W365-F495 AromaticContact CE2-CD1 3.45Å; W365-F495 VanDerWaalsContact CE2-CD1 3.45Å; W365-F495 AromaticContact CE2-CE1 3.65Å; W365-F495 HydrophobicContact CE3-CB 4.42Å; W365-F495 AromaticContact CE3-CD1 3.84Å; W365-F495 HydrophobicContact CE3-CD1 3.84Å; W365-F495 HydrophobicContact CG-CD1 4.31Å; W365-F495 HydrophobicContact CG-CE1 4.32Å; W365-F495 HydrophobicContact CH2-CB 3.61Å; W365-F495 AromaticContact CH2-CD1 3.78Å; W365-F495 HydrophobicContact CH2-CD1 3.78Å; W365-F495 AromaticContact CH2-CG 3.83Å; W365-F495 HydrophobicContact CH2-CG 3.83Å; W365-F495 HydrophobicContact CZ2-CB 4.18Å; W365-F495 AromaticContact CZ2-CD1 3.55Å; W365-F495 HydrophobicContact CZ2-CD1 3.55Å; W365-F495 HydrophobicContact CZ2-CE1 4.02Å; W365-F495 AromaticContact CZ2-CG 3.87Å; W365-F495 HydrophobicContact CZ2-CG 3.87Å; W365-F495 HydrophobicContact CZ3-CB 3.74Å; W365-F495 AromaticContact CZ3-CD1 3.91Å; W365-F495 HydrophobicContact CZ3-CD1 3.91Å; W365-F495 HydrophobicContact CZ3-CG 4.18Å; W365-F495 AromaticContact NE1-CD1 3.99Å; W365-F495 AromaticContact NE1-CE1 3.68Å
366T89.6Confident88.9Confident6 Ų641.7 Ų41.74%0.03719%0.192CC..  trans-113.9125.4178.4-60.30000108.4G368 S369 T370 A371 D492 D643 M647T366-G368 PolarHBondContact O-N 3.21Å; T366-S369 PolarHBondContact O-N 3.25Å; T366-T370 PolarHBondContact N-OG1 3.01Å; T366-T370 PolarHBondContact O-N 3.01Å; T366-T370 VanDerWaalsContact O-N 3.08Å; T366-A371 VanDerWaalsContact O-CB 3.29Å; T366-A371 WeakPolarHBondContact O-CB 3.49Å; T366-A371 PolarHBondContact O-N 3.19Å; T366-D492 WeakPolarHBondContact CA-OD1 3.45Å; T366-D643 PolarHBondContact OG1-OD2 2.86Å; T366-M647 HydrophobicContact CG2-CE 3.52Å
367R87.8Confident89.7Confident140 Ų14043.7 Ų43.753%0.52820%0.2SC..THydrogen-bonded Turntrans-56127.9176.6175.4168.6-177.4-163.4-2.5110.3S369 F490 D492 L654R367-S369 VanDerWaalsContact C-N 3.33Å; R367-F490 HydrophobicContact CG-CB 4Å; R367-F490 HydrophobicContact CG-CD1 4.28Å; R367-D492 WeakPolarHBondContact CB-OD1 3.32Å; R367-D492 PolarHBondContact N-OD1 2.99Å; R367-L654 HydrophobicContact CG-CD1 3.86Å; R367-L654 HydrophobicContact CG-CD2 4.4Å
368G80Confident90.2Very high7 Ų744.3 Ų44.37%0.07221%0.207CC..THydrogen-bonded Turntrans68.431.7-176.700000112.6T366 A623T366-G368 PolarHBondContact O-N 3.21Å; G368-A623 WeakPolarHBondContact O-CB 3.38Å
369S84.6Confident90.2Very high9 Ų944.5 Ų44.56%0.06322%0.216CC..THydrogen-bonded Turntrans-152.1-79166.7173.80000109.4T366 R367 T383 H624 D643T366-S369 PolarHBondContact O-N 3.25Å; R367-S369 VanDerWaalsContact C-N 3.33Å; S369-T383 WeakPolarHBondContact O-CB 3.33Å; S369-T383 PolarHBondContact O-OG1 2.6Å; S369-H624 PolarHBondContact O-CE1 2.82Å; S369-H624 PolarHBondContact O-ND1 2.56Å; S369-D643 VanDerWaalsContact CB-OD1 3.25Å; S369-D643 WeakPolarHBondContact CB-OD1 3.18Å; S369-D643 PolarHBondContact OG-OD1 3.09Å
370T89.9Confident90.3Very high0 Ų043.5 Ų43.50%021%0.21CC..THydrogen-bonded Turntrans-104.5-5-173.349.60000114.1R364 T366 G372 N384 P385 N639 D643R364-T370 PolarHBondContact O-OG1 3.15Å; T366-T370 PolarHBondContact N-OG1 3.01Å; T366-T370 PolarHBondContact O-N 3.01Å; T366-T370 VanDerWaalsContact O-N 3.08Å; T370-G372 VanDerWaalsContact C-N 3.28Å; T370-G372 PolarHBondContact O-N 3.18Å; T370-N384 WeakPolarHBondContact O-CA 3.4Å; T370-N384 PolarHBondContact O-OD1 3.08Å; T370-P385 HydrophobicContact CG2-CG 4.5Å; T370-N639 HydrophobicContact CG2-CB 4.39Å; T370-D643 WeakPolarHBondContact CG2-OD1 3.36Å; T370-D643 PolarHBondContact OG1-OD1 3.21Å
371A92.6Very high90.4Very high1 Ų141.2 Ų41.21%0.00820%0.198CC..  trans-81.768.3177.700000112W365 T366 P489 F490W365-A371 HydrophobicContact CB-CB 3.99Å; T366-A371 VanDerWaalsContact O-CB 3.29Å; T366-A371 WeakPolarHBondContact O-CB 3.49Å; T366-A371 PolarHBondContact O-N 3.19Å; A371-P489 WeakPolarHBondContact O-CA 3.34Å; A371-F490 PolarHBondContact O-N 2.94Å
372G93.1Very high90.5Very high0 Ų041.3 Ų41.30%020%0.198CC..  trans-79-14.5-169.700000116.2T370 T380 Y381 T383 N384T370-G372 VanDerWaalsContact C-N 3.28Å; T370-G372 PolarHBondContact O-N 3.18Å; G372-T380 WeakPolarHBondContact CA-O 3.31Å; G372-T380 CarbonylContact O-C 3.59Å; G372-T380 VanDerWaalsContact O-CB 3.32Å; G372-T380 WeakPolarHBondContact O-CB 3.48Å; G372-T380 PolarHBondContact O-OG1 3.3Å; G372-Y381 PolarHBondContact O-N 2.63Å; G372-T383 WeakPolarHBondContact CA-OG1 3.3Å; G372-N384 PolarHBondContact N-OD1 3.22Å
373G94.6Very high90.4Very high0 Ų037.3 Ų37.30%018%0.177CC..  trans74-175.8-173.300000112.4Y381 N384 S485 T486G373-Y381 VanDerWaalsContact O-CD2 3.23Å; G373-Y381 WeakPolarHBondContact O-CD2 3.23Å; G373-N384 PolarHBondContact O-ND2 3.35Å; G373-S485 WeakPolarHBondContact O-CB 3.29Å; G373-S485 PolarHBondContact O-OG 3.39Å; G373-T486 CarbonylContact C-O 3.45Å; G373-T486 VanDerWaalsContact CA-O 3.23Å; G373-T486 WeakPolarHBondContact CA-O 3.31Å
374C94.6Very high90.6Very high3 Ų336.6 Ų36.62%0.0217%0.169CC..  trans-84.8179.7-179.572.50000113.3R376 Y377 Y463 T486 F487C374-R376 PolarHBondContact O-N 2.77Å; C374-Y377 PolarHBondContact O-N 3.18Å; C374-Y463 HydrophobicContact CB-CE1 3.81Å; C374-Y463 HydrophobicContact CB-CE2 3.88Å; C374-Y463 VanDerWaalsContact CB-CZ 3.43Å; C374-Y463 WeakPolarHBondContact CB-OH 3.21Å; C374-T486 PolarHBondContact N-O 2.99Å; C374-F487 PolarHBondContact N-O 2.83Å; C374-F487 PolarHBondContact SG-O 2.89Å
375Q92.7Very high90.7Very high61 Ų6132.3 Ų32.329%0.28515%0.153SC..THydrogen-bonded Turntrans-58.3-18.4-175.7-61.494.7-40.500114.7Y377 Y381Q375-Y377 PolarHBondContact O-N 3.43Å; Q375-Y381 HydrophobicContact CG-CD1 4.35Å; Q375-Y381 HydrophobicContact CG-CD2 4.22Å; Q375-Y381 HydrophobicContact CG-CE1 3.88Å; Q375-Y381 HydrophobicContact CG-CE2 3.77Å; Q375-Y381 HydrophobicContact CG-CG 4.49Å
376R92.3Very high90.7Very high193 Ų19332.3 Ų32.373%0.72815%0.153SC*.THydrogen-bonded Turntrans-65.5-14.9172.9-63.5-173.4-178.2-168.62.2113C374 P378C374-R376 PolarHBondContact O-N 2.77Å; R376-P378 WeakPolarHBondContact O-CD 3.1Å
377Y92.6Very high90.9Very high81 Ų8132 Ų3232%0.31815%0.151SC..  trans-11467.3179.3-56-84.9000110.3C374 Q375 A379 T380 Y381 F487 P489C374-Y377 PolarHBondContact O-N 3.18Å; Q375-Y377 PolarHBondContact O-N 3.43Å; Y377-A379 PolarHBondContact O-N 2.66Å; Y377-T380 PolarHBondContact O-N 3.06Å; Y377-T380 PolarHBondContact O-OG1 3.2Å; Y377-Y381 WeakPolarHBondContact O-CB 3.09Å; Y377-Y381 PolarHBondContact O-N 2.99Å; Y377-F487 VanDerWaalsContact CE2-O 3.23Å; Y377-F487 WeakPolarHBondContact CE2-O 3.06Å; Y377-P489 HydrophobicContact CD1-CG 3.99Å; Y377-P489 HydrophobicContact CE1-CG 4.24Å; Y377-P489 HydrophobicContact CG-CG 4.16Å
378P90.4Very high91.1Very high67 Ų6725.6 Ų25.644%0.43513%0.127SC..THydrogen-bonded Turntrans-65.3-16.3-172.827.7-37000114R376 T380 R448R376-P378 WeakPolarHBondContact O-CD 3.1Å; P378-T380 VanDerWaalsContact C-N 3.31Å; P378-R448 PolarHBondContact O-NE 2.73Å
379A86.8Confident91.7Very high55 Ų5525.5 Ų25.546%0.45513%0.125SC..THydrogen-bonded Turntrans-65-36.5173.800000112Y377 W382Y377-A379 PolarHBondContact O-N 2.66Å; A379-W382 PolarHBondContact O-NE1 2.77Å
380T89.4Confident92Very high18 Ų1826.5 Ų26.511%0.1113%0.128CC..THydrogen-bonded Turntrans-119-18.4-170.851.90000113.2G372 Y377 P378 W382 T383 F490G372-T380 WeakPolarHBondContact CA-O 3.31Å; G372-T380 CarbonylContact O-C 3.59Å; G372-T380 VanDerWaalsContact O-CB 3.32Å; G372-T380 WeakPolarHBondContact O-CB 3.48Å; G372-T380 PolarHBondContact O-OG1 3.3Å; Y377-T380 PolarHBondContact O-N 3.06Å; Y377-T380 PolarHBondContact O-OG1 3.2Å; P378-T380 VanDerWaalsContact C-N 3.31Å; T380-W382 VanDerWaalsContact C-N 3.29Å; T380-W382 PolarHBondContact O-N 2.74Å; T380-W382 VanDerWaalsContact O-N 3.15Å; T380-T383 VanDerWaalsContact O-CB 3.29Å; T380-T383 WeakPolarHBondContact O-CB 3.4Å; T380-T383 VanDerWaalsContact O-CG2 3.29Å; T380-T383 WeakPolarHBondContact O-CG2 3.46Å; T380-T383 PolarHBondContact O-N 2.69Å; T380-T383 PolarHBondContact O-OG1 3.31Å; T380-F490 HydrophobicContact CG2-CZ 4.38Å
381Y93.4Very high92.1Very high4 Ų426.7 Ų26.72%0.01613%0.129CC..G310 helixtrans-51.6-42.4-175177.8-107.6000114.4G372 G373 Q375 Y377 T383 N384 Y436 F451 V483G372-Y381 PolarHBondContact O-N 2.63Å; G373-Y381 VanDerWaalsContact O-CD2 3.23Å; G373-Y381 WeakPolarHBondContact O-CD2 3.23Å; Q375-Y381 HydrophobicContact CG-CD1 4.35Å; Q375-Y381 HydrophobicContact CG-CD2 4.22Å; Q375-Y381 HydrophobicContact CG-CE1 3.88Å; Q375-Y381 HydrophobicContact CG-CE2 3.77Å; Q375-Y381 HydrophobicContact CG-CG 4.49Å; Y377-Y381 WeakPolarHBondContact O-CB 3.09Å; Y377-Y381 PolarHBondContact O-N 2.99Å; Y381-T383 PolarHBondContact O-N 3.44Å; Y381-T383 VanDerWaalsContact O-N 3.08Å; Y381-N384 PolarHBondContact O-N 3.33Å; Y381-N384 PolarHBondContact O-ND2 3.21Å; Y381-Y436 HydrophobicContact CE1-CE2 4.34Å; Y381-Y436 WeakPolarHBondContact CE1-OH 3.47Å; Y381-Y436 PolarHBondContact OH-OH 3.2Å; Y381-F451 HydrophobicContact CD1-CB 4.24Å; Y381-F451 AromaticContact CD1-CD1 3.96Å; Y381-F451 HydrophobicContact CD1-CD1 3.96Å; Y381-F451 HydrophobicContact CD1-CD2 4.47Å; Y381-F451 HydrophobicContact CD1-CE1 4.42Å; Y381-F451 AromaticContact CD1-CG 3.96Å; Y381-F451 HydrophobicContact CD1-CG 3.96Å; Y381-F451 AromaticContact CE1-CD1 3.58Å; Y381-F451 HydrophobicContact CE1-CD1 3.58Å; Y381-F451 AromaticContact CE1-CE1 3.83Å; Y381-F451 HydrophobicContact CE1-CE1 3.83Å; Y381-F451 HydrophobicContact CE1-CG 4.08Å; Y381-V483 HydrophobicContact CE1-CG1 4.32Å; Y381-V483 HydrophobicContact CE2-CG1 4.15Å
382W90.9Very high91.8Very high29 Ų2932.5 Ų32.511%0.1116%0.16CC..G310 helixtrans-61.5-20.7-177.365.2-84.6000113.2A379 T380 N384 Q386 H445 R448 F451 H624A379-W382 PolarHBondContact O-NE1 2.77Å; T380-W382 VanDerWaalsContact C-N 3.29Å; T380-W382 PolarHBondContact O-N 2.74Å; T380-W382 VanDerWaalsContact O-N 3.15Å; W382-N384 VanDerWaalsContact C-N 3.32Å; W382-N384 PolarHBondContact O-N 3.13Å; W382-Q386 PolarHBondContact O-NE2 3.18Å; W382-H445 AromaticContact CE3-CE1 3.9Å; W382-H445 PolarHBondContact O-CE1 3.03Å; W382-H445 PolarHBondContact O-NE2 2.89Å; W382-R448 HydrophobicContact CG-CB 4.14Å; W382-F451 HydrophobicContact CB-CD2 3.44Å; W382-F451 VanDerWaalsContact CB-CD2 3.44Å; W382-F451 HydrophobicContact CB-CE2 3.59Å; W382-H624 HydrophobicContact CZ2-CB 4.13Å
383T88.9Confident91.3Very high2 Ų237.7 Ų37.71%0.01218%0.184CC..G310 helixtrans-78.9-15-175.471.60000113.3S369 G372 T380 Y381 H624S369-T383 WeakPolarHBondContact O-CB 3.33Å; S369-T383 PolarHBondContact O-OG1 2.6Å; G372-T383 WeakPolarHBondContact CA-OG1 3.3Å; T380-T383 VanDerWaalsContact O-CB 3.29Å; T380-T383 WeakPolarHBondContact O-CB 3.4Å; T380-T383 VanDerWaalsContact O-CG2 3.29Å; T380-T383 WeakPolarHBondContact O-CG2 3.46Å; T380-T383 PolarHBondContact O-N 2.69Å; T380-T383 PolarHBondContact O-OG1 3.31Å; Y381-T383 PolarHBondContact O-N 3.44Å; Y381-T383 VanDerWaalsContact O-N 3.08Å; T383-H624 HydrophobicContact CG2-CB 4.31Å; T383-H624 WeakPolarHBondContact CG2-ND1 3.27Å
384N93.4Very high90.9Very high0 Ų040.2 Ų40.20%020%0.199CC..SBendtrans-57.3153.7173.8-70.5-71.3000110.7T370 G372 G373 Y381 W382 H445 V483 S485T370-N384 WeakPolarHBondContact O-CA 3.4Å; T370-N384 PolarHBondContact O-OD1 3.08Å; G372-N384 PolarHBondContact N-OD1 3.22Å; G373-N384 PolarHBondContact O-ND2 3.35Å; Y381-N384 PolarHBondContact O-N 3.33Å; Y381-N384 PolarHBondContact O-ND2 3.21Å; W382-N384 VanDerWaalsContact C-N 3.32Å; W382-N384 PolarHBondContact O-N 3.13Å; N384-H445 PolarHBondContact O-NE2 3.39Å; N384-V483 HydrophobicContact CB-CG1 3.74Å; N384-S485 VanDerWaalsContact CG-CB 3.49Å; N384-S485 WeakPolarHBondContact ND2-CB 3.37Å; N384-S485 WeakPolarHBondContact OD1-CB 3.39Å
385P93.4Very high90.1Very high3 Ų340.9 Ų40.92%0.01920%0.202CC..  trans-56.7146.1171.9-2537.1000111.2T370 F387 P484 F495T370-P385 HydrophobicContact CG2-CG 4.5Å; P385-F387 HydrophobicContact CB-CE2 3.79Å; P385-F387 HydrophobicContact CB-CZ 4Å; P385-P484 WeakPolarHBondContact O-CD 3.31Å; P385-F495 HydrophobicContact CB-CZ 4.01Å; P385-F495 HydrophobicContact CG-CE1 4Å; P385-F495 HydrophobicContact CG-CZ 3.9Å
386Q93.5Very high88.9Confident0 Ų044.7 Ų44.70%022%0.22CC..  trans-127.2129.2-172.7-71.3179.315.900109.3W382 H445 L446 L481 V483 I510W382-Q386 PolarHBondContact O-NE2 3.18Å; Q386-H445 VanDerWaalsContact CD-CD2 3.5Å; Q386-H445 PolarHBondContact NE2-CE1 2.96Å; Q386-H445 VanDerWaalsContact NE2-CE1 3.29Å; Q386-H445 PolarHBondContact NE2-NE2 2.86Å; Q386-H445 VanDerWaalsContact NE2-NE2 3.17Å; Q386-L446 PolarHBondContact NE2-O 3.07Å; Q386-L481 HydrophobicContact CB-CD1 3.81Å; Q386-L481 HydrophobicContact CG-CD1 4.32Å; Q386-V483 HydrophobicContact CG-CG2 4.26Å; Q386-I510 HydrophobicContact CB-CB 4.02Å; Q386-I510 PolarHBondContact O-N 3.31Å
387F93.3Very high87.2Confident0 Ų041.8 Ų41.80%022%0.219CC..EExtended strand (participates in β ladder)trans-123.7134.2-177.8-58.1-85.1000110.2F361 P385 L481 V482 P484 F495 L497 L508 E509F361-F387 HydrophobicContact CB-CD1 3.78Å; F361-F387 HydrophobicContact CB-CE1 3.39Å; F361-F387 HydrophobicContact CB-CZ 4Å; F361-F387 AromaticContact CD1-CD1 3.7Å; F361-F387 HydrophobicContact CD1-CD1 3.7Å; F361-F387 AromaticContact CD1-CE1 3.81Å; F361-F387 HydrophobicContact CD1-CE1 3.81Å; F361-F387 AromaticContact CD2-CD1 3.78Å; F361-F387 HydrophobicContact CD2-CD1 3.78Å; F361-F387 HydrophobicContact CD2-CE1 4.3Å; F361-F387 HydrophobicContact CD2-CG 4.35Å; F361-F387 HydrophobicContact CE1-CD1 4.27Å; F361-F387 HydrophobicContact CE2-CD1 4.33Å; F361-F387 AromaticContact CG-CD1 3.44Å; F361-F387 HydrophobicContact CG-CD1 3.44Å; F361-F387 VanDerWaalsContact CG-CD1 3.44Å; F361-F387 AromaticContact CG-CE1 3.56Å; F361-F387 HydrophobicContact CG-CE1 3.56Å; F361-F387 HydrophobicContact CG-CG 4.39Å; P385-F387 HydrophobicContact CB-CE2 3.79Å; P385-F387 HydrophobicContact CB-CZ 4Å; F387-L481 CarbonylContact O-C 3.47Å; F387-L481 WeakPolarHBondContact O-CA 3.38Å; F387-V482 PolarHBondContact N-O 3.41Å; F387-V482 PolarHBondContact O-N 3.13Å; F387-P484 HydrophobicContact CD2-CG 3.92Å; F387-P484 HydrophobicContact CE2-CG 3.6Å; F387-F495 AromaticContact CE2-CE2 3.92Å; F387-F495 HydrophobicContact CE2-CE2 3.92Å; F387-F495 AromaticContact CE2-CZ 3.98Å; F387-F495 HydrophobicContact CE2-CZ 3.98Å; F387-F495 HydrophobicContact CZ-CE2 4.09Å; F387-F495 HydrophobicContact CZ-CZ 4.15Å; F387-L497 HydrophobicContact CB-CD2 3.9Å; F387-L497 HydrophobicContact CD1-CD2 4.47Å; F387-L497 HydrophobicContact CD2-CD2 3.44Å; F387-L497 VanDerWaalsContact CD2-CD2 3.44Å; F387-L497 HydrophobicContact CE2-CD2 4.09Å; F387-L497 HydrophobicContact CG-CD2 3.66Å; F387-L508 CarbonylContact C-O 3.57Å; F387-L508 WeakPolarHBondContact CA-O 3.45Å; F387-E509 HydrophobicContact CD1-CB 3.93Å; F387-E509 HydrophobicContact CD1-CG 4.04Å; F387-E509 HydrophobicContact CE1-CB 3.88Å; F387-E509 HydrophobicContact CE1-CG 3.69Å; F387-E509 HydrophobicContact CZ-CG 4.41Å
388K92Very high85.4Confident4 Ų440.5 Ų40.52%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-101.7137.5179.1-166.7162.9175.7169.30110.4Y390 L438 T442 Y480 A507 L508 I510K388-Y390 HydrophobicContact CB-CE2 4.28Å; K388-Y390 HydrophobicContact CD-CE1 4.41Å; K388-Y390 HydrophobicContact CD-CE2 3.93Å; K388-Y390 WeakPolarHBondContact CD-OH 3.37Å; K388-Y390 VanDerWaalsContact CE-CZ 3.41Å; K388-Y390 VanDerWaalsContact CE-OH 3.29Å; K388-Y390 WeakPolarHBondContact CE-OH 3.46Å; K388-Y390 HydrophobicContact CG-CD2 4.36Å; K388-Y390 HydrophobicContact CG-CE2 3.75Å; K388-L438 HydrophobicContact CD-CD1 4.02Å; K388-L438 HydrophobicContact CG-CD1 4.28Å; K388-T442 PolarHBondContact NZ-O 3.31Å; K388-Y480 CarbonylContact C-O 3.6Å; K388-Y480 VanDerWaalsContact CA-O 3.29Å; K388-Y480 WeakPolarHBondContact CA-O 3.28Å; K388-A507 CarbonylContact O-C 3.58Å; K388-A507 WeakPolarHBondContact O-CA 3.31Å; K388-A507 WeakPolarHBondContact O-CB 3.41Å; K388-L508 PolarHBondContact N-O 3.14Å; K388-L508 PolarHBondContact O-N 2.94Å; K388-I510 HydrophobicContact CB-CD1 4.04Å; K388-I510 HydrophobicContact CB-CG1 3.88Å; K388-I510 HydrophobicContact CD-CD1 4.27Å
389I92.9Very high83.4Confident5 Ų545.4 Ų45.43%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-123.6134.3175.3-53.3174.7000108.1L391 L411 Y480 V482 V499 A505 A507I389-L391 HydrophobicContact CG2-CD2 3.77Å; I389-L391 HydrophobicContact CG2-CG 4.11Å; I389-L411 HydrophobicContact CD1-CD2 3.73Å; I389-Y480 PolarHBondContact N-O 2.94Å; I389-Y480 PolarHBondContact O-N 2.98Å; I389-V482 HydrophobicContact CD1-CG2 3.42Å; I389-V482 VanDerWaalsContact CD1-CG2 3.42Å; I389-V482 HydrophobicContact CG1-CG2 4.15Å; I389-V499 HydrophobicContact CD1-CB 4.47Å; I389-V499 HydrophobicContact CD1-CG1 3.77Å; I389-V499 HydrophobicContact CD1-CG2 3.82Å; I389-V499 HydrophobicContact CG1-CG1 4.42Å; I389-V499 HydrophobicContact CG1-CG2 4.39Å; I389-V499 HydrophobicContact CG2-CG1 4.37Å; I389-A505 HydrophobicContact CG2-CB 4.28Å; I389-A507 HydrophobicContact CG1-CB 4.19Å
390Y91.4Very high81.1Confident30 Ų3052.9 Ų52.912%0.11826%0.259CS..EExtended strand (participates in β ladder)trans-112.9123.1176.6-58.1-103.4000108.2K388 Q479 A505 K506 L508K388-Y390 HydrophobicContact CB-CE2 4.28Å; K388-Y390 HydrophobicContact CD-CE1 4.41Å; K388-Y390 HydrophobicContact CD-CE2 3.93Å; K388-Y390 WeakPolarHBondContact CD-OH 3.37Å; K388-Y390 VanDerWaalsContact CE-CZ 3.41Å; K388-Y390 VanDerWaalsContact CE-OH 3.29Å; K388-Y390 WeakPolarHBondContact CE-OH 3.46Å; K388-Y390 HydrophobicContact CG-CD2 4.36Å; K388-Y390 HydrophobicContact CG-CE2 3.75Å; Y390-Q479 HydrophobicContact CD1-CG 3.63Å; Y390-Q479 HydrophobicContact CE1-CG 3.86Å; Y390-Q479 HydrophobicContact CG-CG 4.48Å; Y390-A505 WeakPolarHBondContact O-CA 3.4Å; Y390-K506 HydrophobicContact CD2-CB 4.11Å; Y390-K506 HydrophobicContact CD2-CD 4.33Å; Y390-K506 HydrophobicContact CD2-CG 4.21Å; Y390-K506 WeakPolarHBondContact CD2-O 3.42Å; Y390-K506 HydrophobicContact CG-CB 4.4Å; Y390-K506 PolarHBondContact N-O 2.96Å; Y390-K506 PolarHBondContact O-N 2.73Å; Y390-L508 HydrophobicContact CE2-CD1 3.94Å; Y390-L508 HydrophobicContact CE2-CG 4.39Å
391L90.9Very high79.1Confident5 Ų555.4 Ų55.43%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-119.7104-178.9-56.9176.3000108I389 C407 V409 L475 P477 G478 Y480 A505I389-L391 HydrophobicContact CG2-CD2 3.77Å; I389-L391 HydrophobicContact CG2-CG 4.11Å; L391-C407 HydrophobicContact CB-CB 3.99Å; L391-C407 HydrophobicContact CD1-CB 4.02Å; L391-C407 HydrophobicContact CD2-CB 4.41Å; L391-C407 HydrophobicContact CG-CB 4.36Å; L391-V409 HydrophobicContact CD1-CG2 3.8Å; L391-V409 HydrophobicContact CD2-CG2 3.65Å; L391-V409 HydrophobicContact CG-CG2 4.41Å; L391-L475 HydrophobicContact CD1-CB 3.72Å; L391-L475 HydrophobicContact CD1-CD1 3.82Å; L391-L475 HydrophobicContact CD1-CG 4.37Å; L391-P477 CarbonylContact O-C 3.5Å; L391-P477 WeakPolarHBondContact O-CA 3.13Å; L391-G478 PolarHBondContact N-O 3.04Å; L391-G478 PolarHBondContact O-N 2.82Å; L391-Y480 HydrophobicContact CD1-CD2 3.81Å; L391-Y480 HydrophobicContact CD1-CE2 3.8Å; L391-Y480 HydrophobicContact CG-CD2 4.31Å; L391-Y480 HydrophobicContact CG-CE2 4.47Å; L391-A505 HydrophobicContact CD2-CB 3.68Å
392D86.7Confident77Confident123 Ų12361.8 Ų61.866%0.65833%0.328SS*.  trans-106.2-34.1-174.9-60.5-41.2000112.2
393E84.1Confident75.4Confident109 Ų10963.6 Ų63.651%0.50935%0.345SS..SBendtrans-104.7130.1-174.2-68.2175.7-165.900111.4C407 K503E393-C407 PolarHBondContact O-SG 2.8Å; E393-K503 HydrophobicContact CB-CB 3.63Å; E393-K503 HydrophobicContact CB-CG 3.94Å
394V84.6Confident74.4Confident52 Ų5270.8 Ų70.832%0.31538%0.378SS..  trans-82.9150.7179.4-1750000110.3P405 C406 P477V394-P405 HydrophobicContact CG1-CB 3.85Å; V394-P405 HydrophobicContact CG2-CB 3.95Å; V394-C406 WeakPolarHBondContact CG1-O 3.25Å; V394-P477 HydrophobicContact CG2-CG 3.65Å
395D79.4Confident73.6Confident17 Ų1774.4 Ų74.49%0.09140%0.402CS..  trans-64.6147.2178.8-56.5-21.6000112.1C406 T408D395-C406 PolarHBondContact N-O 3.45Å; D395-T408 PolarHBondContact OD1-N 2.79Å; D395-T408 VanDerWaalsContact OD1-N 3.13Å; D395-T408 WeakPolarHBondContact OD2-CA 3.35Å; D395-T408 WeakPolarHBondContact OD2-CB 3.21Å; D395-T408 PolarHBondContact OD2-N 2.96Å; D395-T408 PolarHBondContact OD2-OG1 3.23Å
396E65.6Low73Confident142 Ų14274.8 Ų74.866%0.66440%0.404SS*.THydrogen-bonded Turntrans-80-27.5-173.4-85168.8-161.100113.7Q398 K503E396-Q398 PolarHBondContact O-N 3.07Å; E396-K503 IonicContact OE1-NZ 2.82Å; E396-K503 PolarHBondContact OE1-NZ 2.99Å; E396-K503 IonicContact OE2-NZ 3.24Å; E396-K503 PolarHBondContact OE2-NZ 3.16Å
397D58.3Low72.7Confident131 Ų13175 Ų7570%0.70141%0.406SS*.THydrogen-bonded Turntrans-96.627.9-170.5-73.3-23.2000113.9E399D397-E399 PolarHBondContact O-N 3.05Å; D397-E399 VanDerWaalsContact O-N 3.12Å
398Q54.9Low72.3Confident55 Ų5575.2 Ų75.226%0.25741%0.408SS..  trans-70.6110.1172.8-64.6-157.5-12.300109.9E396 E400 E404 C406E396-Q398 PolarHBondContact O-N 3.07Å; Q398-E400 PolarHBondContact O-N 2.93Å; Q398-E404 PolarHBondContact NE2-O 2.79Å; Q398-E404 PolarHBondContact OE1-O 2.74Å; Q398-C406 PolarHBondContact NE2-SG 3.44Å
399E46.6Very low72.1Confident170 Ų17075.2 Ų75.279%0.79441%0.408SS*.  trans-47.3124174.6-76.2-175.6166.800110.1D397 G401D397-E399 PolarHBondContact O-N 3.05Å; D397-E399 VanDerWaalsContact O-N 3.12Å; E399-G401 PolarHBondContact O-N 2.93Å
400E39Very low71.9Confident211 Ų21175 Ų7599%0.98641%0.407SS*.THydrogen-bonded Turntrans-56.398.6179.2-73.3-175.515800110.2Q398Q398-E400 PolarHBondContact O-N 2.93Å
401G48.2Very low71.9Confident72 Ų7273.7 Ų73.774%0.74240%0.402SS*.THydrogen-bonded Turntrans144.1-8.3160.400000119.8E399E399-G401 PolarHBondContact O-N 2.93Å
402T48.6Very low71.9Confident138 Ų13873.5 Ų73.585%0.84740%0.401SS*.THydrogen-bonded Turntrans-145.6-3.5-171.645.50000118.9
403S57Low72.3Confident66 Ų6667.6 Ų67.646%0.46237%0.369SS..  trans-112.9140.7176.9-174.50000112.4
404E68.3Low72.8Confident153 Ų15362.4 Ų62.472%0.71535%0.345SS*.  trans-60.6148.4162.3-69.7-176.7168.600110Q398 C406Q398-E404 PolarHBondContact NE2-O 2.79Å; Q398-E404 PolarHBondContact OE1-O 2.74Å; E404-C406 PolarHBondContact O-N 3.14Å
405P76.4Confident73.3Confident77 Ų7760 Ų6050%0.533%0.33SS..  trans-59.9123.3177.525.1-33.2000109.7V394 P477V394-P405 HydrophobicContact CG1-CB 3.85Å; V394-P405 HydrophobicContact CG2-CB 3.95Å; P405-P477 WeakPolarHBondContact O-CD 3.22Å
406C81.8Confident73.9Confident10 Ų1060.8 Ų60.87%0.06833%0.333CS..  trans-139.6152.8-174.878.50000111.6V394 D395 Q398 E404 Q474 L475V394-C406 WeakPolarHBondContact CG1-O 3.25Å; D395-C406 PolarHBondContact N-O 3.45Å; Q398-C406 PolarHBondContact NE2-SG 3.44Å; E404-C406 PolarHBondContact O-N 3.14Å; C406-Q474 HydrophobicContact CB-CB 4.15Å; C406-L475 WeakPolarHBondContact CA-O 3.46Å
407C86.6Confident75Confident4 Ų456.9 Ų56.93%0.02732%0.316CS..EExtended strand (participates in β ladder)trans-107.8123.6175.8-54.50000107.6L391 E393 L475L391-C407 HydrophobicContact CB-CB 3.99Å; L391-C407 HydrophobicContact CD1-CB 4.02Å; L391-C407 HydrophobicContact CD2-CB 4.41Å; L391-C407 HydrophobicContact CG-CB 4.36Å; E393-C407 PolarHBondContact O-SG 2.8Å; C407-L475 PolarHBondContact N-O 3.4Å; C407-L475 PolarHBondContact O-N 3.12Å
408T84.6Confident76.5Confident6 Ų651.1 Ų51.14%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-84.9123.2178.4-65.30000110.5W356 D395 R472 E502W356-T408 HydrophobicContact CH2-CG2 3.98Å; W356-T408 HydrophobicContact CZ3-CG2 4.29Å; D395-T408 PolarHBondContact OD1-N 2.79Å; D395-T408 VanDerWaalsContact OD1-N 3.13Å; D395-T408 WeakPolarHBondContact OD2-CA 3.35Å; D395-T408 WeakPolarHBondContact OD2-CB 3.21Å; D395-T408 PolarHBondContact OD2-N 2.96Å; D395-T408 PolarHBondContact OD2-OG1 3.23Å; T408-R472 HydrophobicContact CG2-CG 4.06Å; T408-E502 PolarHBondContact O-N 3.13Å
409V88.3Confident78Confident3 Ų348.8 Ų48.82%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-127134.4177.2-175.10000109.7L391 L411 V473 V499 F500L391-V409 HydrophobicContact CD1-CG2 3.8Å; L391-V409 HydrophobicContact CD2-CG2 3.65Å; L391-V409 HydrophobicContact CG-CG2 4.41Å; V409-L411 HydrophobicContact CG1-CD2 3.92Å; V409-L411 HydrophobicContact CG1-CG 4.03Å; V409-V473 PolarHBondContact N-O 3.19Å; V409-V473 PolarHBondContact O-N 2.94Å; V409-V473 VanDerWaalsContact O-O 3.13Å; V409-V499 HydrophobicContact CG1-CG1 3.82Å; V409-F500 CarbonylContact C-O 3.58Å; V409-F500 VanDerWaalsContact CA-O 3.25Å; V409-F500 WeakPolarHBondContact CA-O 3.31Å; V409-F500 WeakPolarHBondContact CG1-O 3.18Å
410L88.3Confident79.8Confident2 Ų245 Ų451%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-105.1124.8163.1-64.586.1000109.5I211 E213 W356 S471 R472 F500I211-L410 HydrophobicContact CD1-CB 3.63Å; I211-L410 HydrophobicContact CD1-CD2 4.33Å; I211-L410 HydrophobicContact CG1-CD2 4.45Å; I211-L410 HydrophobicContact CG2-CD2 4.29Å; E213-L410 HydrophobicContact CG-CD2 3.49Å; E213-L410 VanDerWaalsContact CG-CD2 3.49Å; W356-L410 HydrophobicContact CD2-CD1 4.48Å; W356-L410 HydrophobicContact CE3-CD1 3.96Å; W356-L410 HydrophobicContact CH2-CD1 3.11Å; W356-L410 HydrophobicContact CZ2-CD1 3.68Å; W356-L410 HydrophobicContact CZ3-CD1 3.26Å; L410-S471 WeakPolarHBondContact CA-O 3.29Å; L410-R472 HydrophobicContact CG-CB 4.16Å; L410-R472 HydrophobicContact CG-CG 4.34Å; L410-F500 HydrophobicContact CB-CB 4.11Å; L410-F500 PolarHBondContact N-O 2.89Å; L410-F500 PolarHBondContact O-N 3.18Å
411L91.3Very high82Confident2 Ų237 Ų371%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-108.2121.2176.5-68177.6000109.3I389 V409 Y433 I435 S470 S471 V482 R498 V499I389-L411 HydrophobicContact CD1-CD2 3.73Å; V409-L411 HydrophobicContact CG1-CD2 3.92Å; V409-L411 HydrophobicContact CG1-CG 4.03Å; L411-Y433 HydrophobicContact CB-CE1 4.3Å; L411-Y433 HydrophobicContact CB-CE2 3.93Å; L411-Y433 WeakPolarHBondContact CB-OH 3.27Å; L411-Y433 HydrophobicContact CD1-CD2 4.31Å; L411-Y433 HydrophobicContact CD1-CE2 3.85Å; L411-Y433 PolarHBondContact O-OH 3.4Å; L411-I435 HydrophobicContact CD1-CD1 3.39Å; L411-I435 HydrophobicContact CD1-CG1 3.91Å; L411-S470 CarbonylContact O-C 3.2Å; L411-S470 WeakPolarHBondContact O-CA 3.47Å; L411-S471 PolarHBondContact N-O 3.45Å; L411-S471 PolarHBondContact O-N 3.31Å; L411-V482 HydrophobicContact CD1-CG1 4.33Å; L411-V482 HydrophobicContact CD1-CG2 3.92Å; L411-R498 WeakPolarHBondContact CA-O 3.29Å; L411-V499 HydrophobicContact CD2-CB 4.13Å; L411-V499 HydrophobicContact CD2-CG1 3.95Å; L411-V499 HydrophobicContact CD2-CG2 3.71Å
412G92.3Very high83.6Confident0 Ų036.4 Ų36.40%019%0.192CC..EExtended strand (participates in β ladder)trans-114.2121173.700000111.1L497 R498G412-L497 CarbonylContact O-C 3.51Å; G412-L497 WeakPolarHBondContact O-CA 3.43Å; G412-R498 PolarHBondContact N-O 2.91Å; G412-R498 PolarHBondContact O-N 2.82Å
413L94.7Very high85.1Confident0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-108.2109.5173175.963.2000109.9W365 I431 G432 Y433 E468 V469 P484 F495 L497W365-L413 HydrophobicContact CH2-CD1 4.26Å; W365-L413 HydrophobicContact CH2-CD2 4.26Å; W365-L413 HydrophobicContact CH2-CG 4.48Å; W365-L413 HydrophobicContact CZ2-CD1 4.31Å; W365-L413 HydrophobicContact CZ2-CD2 4.2Å; L413-I431 HydrophobicContact CD2-CB 4.26Å; L413-I431 HydrophobicContact CG-CD1 4.33Å; L413-I431 VanDerWaalsContact O-CD1 3.31Å; L413-I431 WeakPolarHBondContact O-CD1 3.16Å; L413-G432 WeakPolarHBondContact CD2-O 3.42Å; L413-Y433 HydrophobicContact CB-CD1 3.75Å; L413-Y433 HydrophobicContact CB-CE1 4.19Å; L413-Y433 HydrophobicContact CD2-CD1 4.23Å; L413-E468 VanDerWaalsContact O-CA 3.29Å; L413-E468 WeakPolarHBondContact O-CA 3.34Å; L413-V469 PolarHBondContact N-O 3.26Å; L413-V469 PolarHBondContact O-N 2.99Å; L413-P484 HydrophobicContact CD1-CB 3.54Å; L413-P484 HydrophobicContact CD1-CG 4.5Å; L413-P484 HydrophobicContact CD2-CB 3.64Å; L413-P484 HydrophobicContact CG-CB 4.2Å; L413-F495 HydrophobicContact CD1-CB 4.04Å; L413-F495 HydrophobicContact CD1-CD2 3.55Å; L413-F495 HydrophobicContact CD1-CE2 4.28Å; L413-F495 HydrophobicContact CD1-CG 3.99Å; L413-L497 HydrophobicContact CB-CD1 4.45Å
414M94.2Very high86.3Confident0 Ų039.6 Ų39.60%019%0.185CC..EExtended strand (participates in β ladder)trans-111.1130.4-175.8-169.8179.2-6200112.1W144 Y146 E205 R467 E468 F495 C496W144-M414 HydrophobicContact CH2-CE 4.03Å; W144-M414 HydrophobicContact CH2-SD 4.25Å; W144-M414 HydrophobicContact CZ3-CE 3.8Å; W144-M414 HydrophobicContact CZ3-SD 3.89Å; Y146-M414 HydrophobicContact CD1-CG 3.99Å; Y146-M414 HydrophobicContact CD1-SD 3.46Å; Y146-M414 WeakPolarHBondContact CD1-SD 3.43Å; Y146-M414 HydrophobicContact CE1-CG 4.16Å; Y146-M414 HydrophobicContact CE1-SD 3.81Å; E205-M414 HydrophobicContact CB-CE 4.48Å; E205-M414 VanDerWaalsContact CD-CE 3.43Å; E205-M414 HydrophobicContact CG-CE 4.44Å; E205-M414 WeakPolarHBondContact OE2-CE 3.4Å; M414-R467 CarbonylContact C-O 3.46Å; M414-R467 WeakPolarHBondContact CA-O 3.45Å; M414-R467 HydrophobicContact CG-CG 4.17Å; M414-E468 HydrophobicContact CB-CB 4.11Å; M414-E468 HydrophobicContact CB-CG 4.32Å; M414-E468 HydrophobicContact CE-CB 4.13Å; M414-E468 VanDerWaalsContact CE-OE2 3.31Å; M414-E468 WeakPolarHBondContact CE-OE2 3.43Å; M414-E468 HydrophobicContact CG-CB 4.18Å; M414-F495 CarbonylContact O-C 3.47Å; M414-F495 WeakPolarHBondContact O-CA 3.36Å; M414-F495 WeakPolarHBondContact O-CB 3.48Å; M414-C496 HydrophobicContact CB-CB 4.35Å; M414-C496 PolarHBondContact N-O 3.11Å; M414-C496 PolarHBondContact O-N 2.84Å
415Q94.4Very high86.7Confident0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-91140172.161.5-176.3-5000112.1R418 M428 L429 I431 L466 R467Q415-R418 HydrophobicContact CB-CG 4.38Å; Q415-R418 HydrophobicContact CG-CG 3.83Å; Q415-M428 HydrophobicContact CG-SD 4.16Å; Q415-L429 PolarHBondContact NE2-O 3.25Å; Q415-I431 HydrophobicContact CB-CD1 4.18Å; Q415-I431 HydrophobicContact CG-CD1 4.1Å; Q415-L466 PolarHBondContact NE2-O 3.39Å; Q415-R467 WeakPolarHBondContact CG-O 3.5Å; Q415-R467 PolarHBondContact N-O 2.83Å
416K93.5Very high86.9Confident34 Ų3436.5 Ų36.515%0.14818%0.184CC..  trans-95.2147.2-170.5-50.9-170.8-178.6-172.70113.8Y146 N362 R418 D494 F495Y146-K416 HydrophobicContact CD1-CB 4.12Å; Y146-K416 HydrophobicContact CD1-CD 4.46Å; Y146-K416 HydrophobicContact CD1-CG 3.72Å; Y146-K416 HydrophobicContact CD2-CB 4.06Å; Y146-K416 HydrophobicContact CD2-CD 4.2Å; Y146-K416 HydrophobicContact CD2-CG 4.08Å; Y146-K416 HydrophobicContact CE1-CB 4.15Å; Y146-K416 HydrophobicContact CE1-CG 4.24Å; Y146-K416 HydrophobicContact CE2-CB 4.05Å; Y146-K416 HydrophobicContact CG-CB 4.1Å; Y146-K416 HydrophobicContact CG-CD 3.91Å; Y146-K416 HydrophobicContact CG-CG 3.65Å; N362-K416 PolarHBondContact OD1-NZ 2.84Å; K416-R418 PolarHBondContact O-N 3.49Å; K416-D494 HydrophobicContact CB-CB 4.09Å; K416-D494 HydrophobicContact CD-CB 4.07Å; K416-D494 HydrophobicContact CG-CB 4.21Å; K416-D494 PolarHBondContact N-O 2.82Å; K416-F495 VanDerWaalsContact CE-O 3.25Å; K416-F495 WeakPolarHBondContact CE-O 3.33Å
417N88.3Confident87.1Confident60 Ų6038 Ų3832%0.32120%0.201SC..SBendtrans58.116.4165.5-62.2-57.4000116.7Y146 R419 R420Y146-N417 VanDerWaalsContact CZ-N 3.33Å; Y146-N417 PolarHBondContact OH-N 3.12Å; N417-R419 PolarHBondContact O-N 3.06Å; N417-R420 PolarHBondContact O-N 3.14Å
418R88.8Confident87.2Confident10 Ų1040 Ų404%0.03821%0.21CC..Hα-helixtrans-66.3-33.1-175.2-66.2-57.9-171.1-169.4-5.5114.4Q415 K416 R420 Q421 K422 M428 D492Q415-R418 HydrophobicContact CB-CG 4.38Å; Q415-R418 HydrophobicContact CG-CG 3.83Å; K416-R418 PolarHBondContact O-N 3.49Å; R418-R420 VanDerWaalsContact C-N 3.29Å; R418-R420 PolarHBondContact O-N 2.94Å; R418-Q421 VanDerWaalsContact CD-OE1 3.26Å; R418-Q421 WeakPolarHBondContact O-CA 3.3Å; R418-Q421 WeakPolarHBondContact O-CB 3.23Å; R418-Q421 PolarHBondContact O-N 2.94Å; R418-K422 PolarHBondContact O-N 2.89Å; R418-M428 HydrophobicContact CB-CE 4.14Å; R418-M428 HydrophobicContact CB-SD 3.45Å; R418-M428 WeakPolarHBondContact CB-SD 3.23Å; R418-M428 HydrophobicContact CG-SD 3.83Å; R418-D492 PolarHBondContact NH1-O 2.82Å; R418-D492 PolarHBondContact NH2-O 2.75Å
419R86.7Confident87.7Confident7 Ų741.1 Ų41.13%0.02622%0.216CC..Hα-helixtrans-58.1-42.1176.2-72.8-174.6173.4-80.2-7.3111.9N189 A194 G197 E202 N417 Q421 K422 M428N189-R419 HydrophobicContact CB-CB 4.38Å; N189-R419 WeakPolarHBondContact OD1-CB 2.76Å; N189-R419 VanDerWaalsContact OD1-CD 3.28Å; N189-R419 WeakPolarHBondContact OD1-CD 3.4Å; A194-R419 PolarHBondContact O-NH1 2.79Å; G197-R419 PolarHBondContact O-NH1 2.89Å; G197-R419 PolarHBondContact O-NH2 2.77Å; E202-R419 IonicContact OE1-CZ 3.56Å; E202-R419 IonicContact OE1-NH2 3.61Å; E202-R419 PolarHBondContact OE1-NH2 2.87Å; E202-R419 IonicContact OE2-CZ 2.7Å; E202-R419 VanDerWaalsContact OE2-CZ 3.23Å; E202-R419 IonicContact OE2-NE 3.98Å; E202-R419 PolarHBondContact OE2-NE 3.14Å; E202-R419 IonicContact OE2-NH2 3.6Å; E202-R419 PolarHBondContact OE2-NH2 3.37Å; N417-R419 PolarHBondContact O-N 3.06Å; R419-Q421 PolarHBondContact O-N 2.86Å; R419-K422 WeakPolarHBondContact O-CB 3.34Å; R419-K422 PolarHBondContact O-N 3.11Å; R419-K422 VanDerWaalsContact O-N 3.16Å; R419-M428 HydrophobicContact CG-CE 4.36Å
420R84.4Confident88Confident89 Ų8943.4 Ų43.434%0.33623%0.232SC..Hα-helixtrans-63.6-24.3175.3-61.4-178.272.8-1795.9113.2N189 N417 R418 R423N189-R420 VanDerWaalsContact O-CG 3.32Å; N189-R420 WeakPolarHBondContact O-CG 3.46Å; N417-R420 PolarHBondContact O-N 3.14Å; R418-R420 VanDerWaalsContact C-N 3.29Å; R418-R420 PolarHBondContact O-N 2.94Å; R420-R423 WeakPolarHBondContact O-CD 3.33Å; R420-R423 WeakPolarHBondContact O-CG 3.34Å; R420-R423 PolarHBondContact O-NE 3.48Å
421Q84.7Confident88.4Confident45 Ų4543.3 Ų43.321%0.2123%0.232CC..Hα-helixtrans-87.8-12.7-179.2-59.3176.7-5.300112.7R418 R419 R423 I424 G425 Q426R418-Q421 VanDerWaalsContact CD-OE1 3.26Å; R418-Q421 WeakPolarHBondContact O-CA 3.3Å; R418-Q421 WeakPolarHBondContact O-CB 3.23Å; R418-Q421 PolarHBondContact O-N 2.94Å; R419-Q421 PolarHBondContact O-N 2.86Å; Q421-R423 PolarHBondContact O-N 2.88Å; Q421-I424 HydrophobicContact CB-CG1 4.35Å; Q421-I424 WeakPolarHBondContact O-CG1 3.23Å; Q421-I424 PolarHBondContact O-N 3.02Å; Q421-G425 PolarHBondContact O-N 3.25Å; Q421-Q426 CarbonylContact C-O 3.54Å; Q421-Q426 HydrophobicContact CB-CB 3.82Å; Q421-Q426 PolarHBondContact O-N 2.79Å; Q421-Q426 VanDerWaalsContact O-N 3.14Å
422K82.9Confident88.6Confident59 Ų5943.2 Ų43.226%0.25723%0.231SC..G310 helixtrans-55.5-35.5174.8-71.7-177175.5176.10112.2Y60 A196 R418 R419 I424 G425 Q426Y60-K422 WeakPolarHBondContact OH-CB 3.3Å; A196-K422 PolarHBondContact O-NZ 3.08Å; R418-K422 PolarHBondContact O-N 2.89Å; R419-K422 WeakPolarHBondContact O-CB 3.34Å; R419-K422 PolarHBondContact O-N 3.11Å; R419-K422 VanDerWaalsContact O-N 3.16Å; K422-I424 PolarHBondContact O-N 2.93Å; K422-G425 PolarHBondContact O-N 2.87Å; K422-Q426 PolarHBondContact N-O 2.86Å
423R79.4Confident88.8Confident158 Ų15843.3 Ų43.360%0.59623%0.231SC*.G310 helixtrans-61.6-22.6177.577.5-169.2178164.42.1114.5Y60 R420 Q421Y60-R423 HydrophobicContact CD1-CB 3.76Å; Y60-R423 HydrophobicContact CD2-CB 4.02Å; Y60-R423 HydrophobicContact CE1-CB 3.97Å; Y60-R423 HydrophobicContact CE2-CB 4.25Å; Y60-R423 HydrophobicContact CG-CB 3.8Å; R420-R423 WeakPolarHBondContact O-CD 3.33Å; R420-R423 WeakPolarHBondContact O-CG 3.34Å; R420-R423 PolarHBondContact O-NE 3.48Å; Q421-R423 PolarHBondContact O-N 2.88Å
424I81.6Confident88.8Confident112 Ų11243.3 Ų43.357%0.57423%0.231SC*.G310 helixtrans-106.818.7175.360.2169.6000111.9Q421 K422 Q426Q421-I424 HydrophobicContact CB-CG1 4.35Å; Q421-I424 WeakPolarHBondContact O-CG1 3.23Å; Q421-I424 PolarHBondContact O-N 3.02Å; K422-I424 PolarHBondContact O-N 2.93Å; I424-Q426 VanDerWaalsContact C-N 3.32Å; I424-Q426 HydrophobicContact CD1-CG 4.45Å; I424-Q426 HydrophobicContact CG1-CB 4.46Å; I424-Q426 HydrophobicContact CG1-CG 4.32Å; I424-Q426 PolarHBondContact O-N 3.02Å
425G77.3Confident88.9Confident72 Ų7243.4 Ų43.474%0.74223%0.232SC*.THydrogen-bonded Turntrans78.29.5176.400000115.2Q421 K422Q421-G425 PolarHBondContact O-N 3.25Å; K422-G425 PolarHBondContact O-N 2.87Å
426Q81.9Confident88.9Confident94 Ų9443.6 Ų43.644%0.43923%0.233SC..  trans-98.9110.2179.6-69.5-179.25.500110.4Q421 K422 I424Q421-Q426 CarbonylContact C-O 3.54Å; Q421-Q426 HydrophobicContact CB-CB 3.82Å; Q421-Q426 PolarHBondContact O-N 2.79Å; Q421-Q426 VanDerWaalsContact O-N 3.14Å; K422-Q426 PolarHBondContact N-O 2.86Å; I424-Q426 VanDerWaalsContact C-N 3.32Å; I424-Q426 HydrophobicContact CD1-CG 4.45Å; I424-Q426 HydrophobicContact CG1-CB 4.46Å; I424-Q426 HydrophobicContact CG1-CG 4.32Å; I424-Q426 PolarHBondContact O-N 3.02Å
427G84.2Confident88.9Confident41 Ų4146.3 Ų46.342%0.42325%0.246SC..  trans-86.5-168.7177.100000113.9
428M90.4Very high89Confident45 Ų4544.4 Ų44.422%0.22224%0.236CC..  trans-63.7137170.4-64.6-62.6-176.600110.1Q415 R418 R419 N465 R467Q415-M428 HydrophobicContact CG-SD 4.16Å; R418-M428 HydrophobicContact CB-CE 4.14Å; R418-M428 HydrophobicContact CB-SD 3.45Å; R418-M428 WeakPolarHBondContact CB-SD 3.23Å; R418-M428 HydrophobicContact CG-SD 3.83Å; R419-M428 HydrophobicContact CG-CE 4.36Å; M428-N465 HydrophobicContact CB-CB 4.4Å; M428-N465 VanDerWaalsContact CB-O 3.3Å; M428-N465 WeakPolarHBondContact CB-O 3.35Å; M428-R467 HydrophobicContact CE-CB 3.83Å; M428-R467 HydrophobicContact CE-CG 4.18Å; M428-R467 HydrophobicContact SD-CB 4.38Å
429L93.9Very high88.6Confident30 Ų3052.6 Ų52.616%0.15727%0.274CS..  trans-79.1150.7169.1-61-172.2000110.5Q415 I431 T486 K491Q415-L429 PolarHBondContact NE2-O 3.25Å; L429-I431 HydrophobicContact CB-CG2 4.07Å; L429-I431 PolarHBondContact O-N 2.7Å; L429-T486 HydrophobicContact CB-CG2 4.27Å; L429-T486 HydrophobicContact CD1-CG2 3.51Å; L429-K491 HydrophobicContact CD1-CB 3.69Å; L429-K491 HydrophobicContact CD2-CB 4.27Å; L429-K491 HydrophobicContact CD2-CD 4.49Å; L429-K491 HydrophobicContact CD2-CG 4.47Å
430S95.3Very high88.1Confident52 Ų5255.9 Ų55.936%0.36430%0.298SS..  trans-72.2109.5165.4-57.70000109.1M464 T486 F487S430-M464 WeakPolarHBondContact CA-O 3.29Å; S430-T486 CarbonylContact O-C 3.44Å; S430-T486 WeakPolarHBondContact O-CA 3.34Å; S430-F487 PolarHBondContact O-N 3.03Å
431I96.4Very high87.4Confident0 Ų058.5 Ų58.50%031%0.314CS..EExtended strand (participates in β ladder)trans-116.9157.5-176.359.5173.7000111.3W365 L413 Q415 L429 Y463 M464 V469 T486W365-I431 HydrophobicContact CH2-CB 4.35Å; W365-I431 HydrophobicContact CH2-CG2 3.73Å; W365-I431 HydrophobicContact CZ3-CG2 3.9Å; L413-I431 HydrophobicContact CD2-CB 4.26Å; L413-I431 HydrophobicContact CG-CD1 4.33Å; L413-I431 VanDerWaalsContact O-CD1 3.31Å; L413-I431 WeakPolarHBondContact O-CD1 3.16Å; Q415-I431 HydrophobicContact CB-CD1 4.18Å; Q415-I431 HydrophobicContact CG-CD1 4.1Å; L429-I431 HydrophobicContact CB-CG2 4.07Å; L429-I431 PolarHBondContact O-N 2.7Å; I431-Y463 VanDerWaalsContact O-CA 3.31Å; I431-Y463 WeakPolarHBondContact O-CA 3.38Å; I431-M464 PolarHBondContact N-O 3.4Å; I431-M464 PolarHBondContact O-N 2.78Å; I431-M464 VanDerWaalsContact O-N 3.16Å; I431-V469 HydrophobicContact CD1-CG2 4.43Å; I431-V469 HydrophobicContact CG1-CG2 3.88Å; I431-T486 HydrophobicContact CG2-CG2 4.15Å
432G95.9Very high86.8Confident0 Ų058.9 Ų58.90%032%0.319CS..EExtended strand (participates in β ladder)trans-173.3177.5178.200000111.2L413 S460 Y463 S485L413-G432 WeakPolarHBondContact CD2-O 3.42Å; G432-S460 WeakPolarHBondContact CA-OG 3.47Å; G432-Y463 VanDerWaalsContact N-CE1 3.34Å; G432-S485 PolarHBondContact N-O 3.32Å; G432-S485 PolarHBondContact O-N 2.87Å
433Y95.9Very high86.1Confident1 Ų163.5 Ų63.50%0.00434%0.342CS..EExtended strand (participates in β ladder)trans-147.9164.4178.657.2-98.5000111.6L411 L413 I435 S460 V469 S471 V482 V483L411-Y433 HydrophobicContact CB-CE1 4.3Å; L411-Y433 HydrophobicContact CB-CE2 3.93Å; L411-Y433 WeakPolarHBondContact CB-OH 3.27Å; L411-Y433 HydrophobicContact CD1-CD2 4.31Å; L411-Y433 HydrophobicContact CD1-CE2 3.85Å; L411-Y433 PolarHBondContact O-OH 3.4Å; L413-Y433 HydrophobicContact CB-CD1 3.75Å; L413-Y433 HydrophobicContact CB-CE1 4.19Å; L413-Y433 HydrophobicContact CD2-CD1 4.23Å; Y433-I435 HydrophobicContact CD2-CG1 4.4Å; Y433-S460 PolarHBondContact N-OG 2.84Å; Y433-S460 VanDerWaalsContact N-OG 3.1Å; Y433-S460 PolarHBondContact O-N 3.02Å; Y433-S460 PolarHBondContact O-OG 3.44Å; Y433-V469 HydrophobicContact CE1-CG1 4.47Å; Y433-S471 PolarHBondContact OH-N 2.8Å; Y433-S471 VanDerWaalsContact OH-N 3.17Å; Y433-S471 PolarHBondContact OH-OG 3.28Å; Y433-V482 HydrophobicContact CD2-CG1 4.42Å; Y433-V483 VanDerWaalsContact CA-O 3.28Å; Y433-V483 WeakPolarHBondContact CA-O 3.29Å
434A95.7Very high85.9Confident0 Ų058.2 Ų58.20%033%0.332CS..EExtended strand (participates in β ladder)trans-135.5150.5171.900000112.3Y436 P456 V482 V483A434-Y436 HydrophobicContact CB-CE2 3.84Å; A434-P456 HydrophobicContact CB-CB 4.12Å; A434-V482 WeakPolarHBondContact O-CA 3.48Å; A434-V483 PolarHBondContact N-O 3.34Å; A434-V483 PolarHBondContact O-N 3.21Å
435I95.4Very high85.9Confident2 Ų254.2 Ų54.21%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-114.9126-176-47.3-179.7000107.8L411 Y433 P456 Y457 A458 V473 L475 Y480 L481 V482L411-I435 HydrophobicContact CD1-CD1 3.39Å; L411-I435 HydrophobicContact CD1-CG1 3.91Å; Y433-I435 HydrophobicContact CD2-CG1 4.4Å; I435-P456 CarbonylContact O-C 3.55Å; I435-P456 WeakPolarHBondContact O-CA 3.23Å; I435-Y457 PolarHBondContact O-N 3.29Å; I435-A458 HydrophobicContact CB-CB 4.34Å; I435-A458 HydrophobicContact CD1-CB 4.08Å; I435-A458 HydrophobicContact CG1-CB 4.44Å; I435-A458 PolarHBondContact N-O 2.76Å; I435-A458 PolarHBondContact O-N 3.28Å; I435-V473 HydrophobicContact CD1-CB 4.46Å; I435-V473 HydrophobicContact CD1-CG1 4.33Å; I435-V473 HydrophobicContact CD1-CG2 4.06Å; I435-L475 HydrophobicContact CG2-CD1 4.33Å; I435-Y480 HydrophobicContact CG2-CD1 3.91Å; I435-Y480 HydrophobicContact CG2-CG 4.22Å; I435-L481 CarbonylContact C-O 3.35Å; I435-L481 WeakPolarHBondContact CA-O 3.48Å; I435-V482 HydrophobicContact CG1-CG2 4.42Å
436Y94.3Very high86.4Confident5 Ų551.9 Ų51.92%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-117.3137.9175.2-61.2-102.9000109.4Y381 A434 F450 F451 H454 P456 Y480 L481 V483Y381-Y436 HydrophobicContact CE1-CE2 4.34Å; Y381-Y436 WeakPolarHBondContact CE1-OH 3.47Å; Y381-Y436 PolarHBondContact OH-OH 3.2Å; A434-Y436 HydrophobicContact CB-CE2 3.84Å; Y436-F450 HydrophobicContact CD1-CE1 4.23Å; Y436-F450 HydrophobicContact CG-CE1 4.25Å; Y436-F451 HydrophobicContact CD2-CE1 4.19Å; Y436-F451 HydrophobicContact CE1-CD1 4.04Å; Y436-F451 HydrophobicContact CE2-CD1 4.06Å; Y436-F451 AromaticContact CE2-CE1 3.9Å; Y436-F451 HydrophobicContact CE2-CE1 3.9Å; Y436-F451 AromaticContact CZ-CD1 3.76Å; Y436-H454 HydrophobicContact CD1-CB 4.28Å; Y436-P456 HydrophobicContact CD1-CB 4.37Å; Y436-P456 HydrophobicContact CE1-CB 3.98Å; Y436-P456 HydrophobicContact CE2-CB 4.29Å; Y436-Y480 CarbonylContact O-C 3.58Å; Y436-Y480 VanDerWaalsContact O-CA 3.24Å; Y436-Y480 WeakPolarHBondContact O-CA 3.12Å; Y436-L481 HydrophobicContact CD2-CD2 4.32Å; Y436-L481 PolarHBondContact N-O 3.17Å; Y436-L481 PolarHBondContact O-N 3.43Å; Y436-V483 HydrophobicContact CD2-CG2 4.43Å; Y436-V483 HydrophobicContact CE2-CG2 4.34Å
437Q93Very high86.5Confident91 Ų9149 Ų4943%0.42528%0.276SS..EExtended strand (participates in β ladder)trans-79.2138.1171.3-168.8173.614.500109.5Y457 Y480Q437-Y457 HydrophobicContact CB-CD2 4.33Å; Q437-Y480 HydrophobicContact CB-CD1 4.2Å; Q437-Y480 HydrophobicContact CB-CE1 3.97Å; Q437-Y480 HydrophobicContact CG-CD1 4.42Å; Q437-Y480 HydrophobicContact CG-CE1 3.92Å
438L89.9Confident86.7Confident20 Ų2052.4 Ų52.411%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-107.7126.2-180-62.1176.2000110.3K388 L446 F450 Q479 L481K388-L438 HydrophobicContact CD-CD1 4.02Å; K388-L438 HydrophobicContact CG-CD1 4.28Å; L438-L446 HydrophobicContact CD2-CD1 3.94Å; L438-F450 HydrophobicContact CD2-CE2 4.11Å; L438-F450 HydrophobicContact CD2-CZ 3.76Å; L438-Q479 HydrophobicContact CB-CB 4.1Å; L438-Q479 PolarHBondContact N-O 3.17Å; L438-L481 HydrophobicContact CD1-CB 4.25Å; L438-L481 HydrophobicContact CD2-CB 4.21Å; L438-L481 HydrophobicContact CG-CB 4.27Å
439E81.6Confident86.6Confident182 Ų18256.1 Ų56.185%0.8530%0.298SS*.SBendtrans-83.6-23.2177.3-61.3-177.2173.800113
440S75.8Confident86.4Confident75 Ų7556.1 Ų56.152%0.52430%0.296SS..SBendtrans-132.8151.3-177.264.50000112.9T442S440-T442 PolarHBondContact O-N 3.18Å
441H69.1Low86.3Confident144 Ų14455 Ų5567%0.66729%0.285SS*.  trans-73.7105.9173.7-69.7-85.7000110.1Q479H441-Q479 PolarHBondContact CE1-NE2 2.78Å; H441-Q479 PolarHBondContact CE1-OE1 2.88Å; H441-Q479 PolarHBondContact ND1-NE2 2.87Å; H441-Q479 PolarHBondContact ND1-OE1 2.74Å; H441-Q479 PolarHBondContact NE2-NE2 2.85Å
442T72.4Confident85.9Confident53 Ų5360.1 Ų60.133%0.32531%0.309SS..  trans-124.4137.3168.4-67.30000110K388 S440 A444 L446K388-T442 PolarHBondContact NZ-O 3.31Å; S440-T442 PolarHBondContact O-N 3.18Å; T442-A444 HydrophobicContact CG2-CB 3.84Å; T442-L446 HydrophobicContact CG2-CD2 4.36Å
443E69.5Low85.5Confident156 Ų15664.1 Ų64.173%0.72934%0.337SS*.  trans-102.8-10.1173.4-62.3-167.1161.700113G511E443-G511 PolarHBondContact O-N 3.16Å
444A74.7Confident85.3Confident47 Ų4767 Ų6739%0.38835%0.35SS..SBendtrans-78146.6176.700000111.7T442 L446 I510T442-A444 HydrophobicContact CG2-CB 3.84Å; A444-L446 PolarHBondContact O-N 3.19Å; A444-I510 VanDerWaalsContact C-CG2 3.41Å; A444-I510 WeakPolarHBondContact O-CG2 3.41Å
445H80.8Confident85Confident28 Ų2874.7 Ų74.713%0.1339%0.386CS..PPolyproline II helixtrans-58.8128.2171.7-174.8-92.7000110.4W382 N384 Q386 I510 R627W382-H445 AromaticContact CE3-CE1 3.9Å; W382-H445 PolarHBondContact O-CE1 3.03Å; W382-H445 PolarHBondContact O-NE2 2.89Å; N384-H445 PolarHBondContact O-NE2 3.39Å; Q386-H445 VanDerWaalsContact CD-CD2 3.5Å; Q386-H445 PolarHBondContact NE2-CE1 2.96Å; Q386-H445 VanDerWaalsContact NE2-CE1 3.29Å; Q386-H445 PolarHBondContact NE2-NE2 2.86Å; Q386-H445 VanDerWaalsContact NE2-NE2 3.17Å; H445-I510 HydrophobicContact CB-CG2 4.44Å; H445-R627 PolarHBondContact CD2-NH2 3Å
446L87.4Confident84.9Confident23 Ų2376.4 Ų76.412%0.1240%0.397CS..PPolyproline II helixtrans-79.4128-174-65.4167.2000109.7Q386 L438 T442 A444 F450 F451 L481Q386-L446 PolarHBondContact NE2-O 3.07Å; L438-L446 HydrophobicContact CD2-CD1 3.94Å; T442-L446 HydrophobicContact CG2-CD2 4.36Å; A444-L446 PolarHBondContact O-N 3.19Å; L446-F450 HydrophobicContact CB-CB 4.29Å; L446-F450 HydrophobicContact CB-CD1 4.08Å; L446-F450 HydrophobicContact CB-CG 4.21Å; L446-F450 HydrophobicContact CD1-CD1 3.96Å; L446-F450 HydrophobicContact CD1-CD2 4.48Å; L446-F450 HydrophobicContact CD1-CE1 3.88Å; L446-F450 HydrophobicContact CD1-CE2 4.4Å; L446-F450 HydrophobicContact CD1-CG 4.27Å; L446-F450 HydrophobicContact CD1-CZ 4.11Å; L446-F450 HydrophobicContact CD2-CD2 4.37Å; L446-F450 HydrophobicContact CD2-CG 4.34Å; L446-F450 HydrophobicContact CG-CD1 4.49Å; L446-F451 HydrophobicContact CB-CE2 4.18Å; L446-F451 HydrophobicContact CB-CZ 4.38Å; L446-F451 WeakPolarHBondContact O-CE2 3.37Å; L446-L481 HydrophobicContact CD1-CD1 4.25Å; L446-L481 HydrophobicContact CD1-CD2 3.56Å; L446-L481 HydrophobicContact CD1-CG 4.41Å
447G85.8Confident84.7Confident33 Ų3381.2 Ų81.234%0.3442%0.416SS..  trans-83.7-177.7-176.500000113.7D449 F450 F451G447-D449 VanDerWaalsContact C-N 3.32Å; G447-D449 PolarHBondContact O-N 3.34Å; G447-F450 PolarHBondContact O-N 3.22Å; G447-F451 WeakPolarHBondContact O-CD2 3.27Å
448R87.3Confident84.4Confident113 Ų11378 Ų7843%0.42641%0.405SS..Hα-helixtrans-53.5-43.5-178-169.3179.3-172.4-171.5-1113.8P378 W382 F450 F451 Q452P378-R448 PolarHBondContact O-NE 2.73Å; W382-R448 HydrophobicContact CG-CB 4.14Å; R448-F450 VanDerWaalsContact C-N 3.26Å; R448-F450 PolarHBondContact O-N 3.5Å; R448-F451 PolarHBondContact O-N 3.36Å; R448-Q452 HydrophobicContact CG-CG 4.45Å; R448-Q452 PolarHBondContact O-N 3.46Å
449D87.8Confident84.3Confident124 Ų12479.8 Ų79.866%0.66342%0.418SS*.Hα-helixtrans-62.7-33-173.8-57.5-20.5000112.8G447 Q452 S453G447-D449 VanDerWaalsContact C-N 3.32Å; G447-D449 PolarHBondContact O-N 3.34Å; D449-Q452 PolarHBondContact O-N 3.04Å; D449-S453 PolarHBondContact O-N 3.1Å; D449-S453 VanDerWaalsContact O-N 3.16Å; D449-S453 PolarHBondContact O-OG 3.03Å
450F90.7Very high84.4Confident30 Ų3071.4 Ų71.413%0.13238%0.38CS..Hα-helixtrans-61.6-51.2176173.6-97000110.9Y436 L438 L446 G447 R448 Q452 S453 H454 L481Y436-F450 HydrophobicContact CD1-CE1 4.23Å; Y436-F450 HydrophobicContact CG-CE1 4.25Å; L438-F450 HydrophobicContact CD2-CE2 4.11Å; L438-F450 HydrophobicContact CD2-CZ 3.76Å; L446-F450 HydrophobicContact CB-CB 4.29Å; L446-F450 HydrophobicContact CB-CD1 4.08Å; L446-F450 HydrophobicContact CB-CG 4.21Å; L446-F450 HydrophobicContact CD1-CD1 3.96Å; L446-F450 HydrophobicContact CD1-CD2 4.48Å; L446-F450 HydrophobicContact CD1-CE1 3.88Å; L446-F450 HydrophobicContact CD1-CE2 4.4Å; L446-F450 HydrophobicContact CD1-CG 4.27Å; L446-F450 HydrophobicContact CD1-CZ 4.11Å; L446-F450 HydrophobicContact CD2-CD2 4.37Å; L446-F450 HydrophobicContact CD2-CG 4.34Å; L446-F450 HydrophobicContact CG-CD1 4.49Å; G447-F450 PolarHBondContact O-N 3.22Å; R448-F450 VanDerWaalsContact C-N 3.26Å; R448-F450 PolarHBondContact O-N 3.5Å; F450-Q452 VanDerWaalsContact C-N 3.25Å; F450-Q452 PolarHBondContact O-N 3.45Å; F450-S453 PolarHBondContact O-N 3.38Å; F450-S453 VanDerWaalsContact O-N 3.14Å; F450-S453 PolarHBondContact O-OG 3.15Å; F450-H454 AromaticContact CD2-CE1 3.66Å; F450-H454 AromaticContact CD2-CG 3.96Å; F450-H454 AromaticContact CD2-ND1 3.53Å; F450-H454 HydrophobicContact CE1-CB 4.43Å; F450-H454 HydrophobicContact CE2-CB 4.28Å; F450-H454 AromaticContact CE2-CD2 3.66Å; F450-H454 AromaticContact CE2-CE1 3.75Å; F450-H454 AromaticContact CE2-CG 3.62Å; F450-H454 AromaticContact CE2-ND1 3.66Å; F450-H454 AromaticContact CE2-NE2 3.73Å; F450-H454 HydrophobicContact CZ-CB 4.15Å; F450-H454 AromaticContact CZ-CG 3.96Å; F450-H454 WeakPolarHBondContact O-CB 3.49Å; F450-H454 PolarHBondContact O-N 3.44Å; F450-H454 PolarHBondContact O-ND1 2.74Å; F450-L481 HydrophobicContact CE1-CD2 4.02Å
451F91.8Very high84.1Confident27 Ų2772.6 Ų72.612%0.11839%0.388CS..Hα-helixtrans-72.4-18.4-177.3-62.5-73.2000113.8Y381 W382 Y436 L446 G447 R448 L481 V483Y381-F451 HydrophobicContact CD1-CB 4.24Å; Y381-F451 AromaticContact CD1-CD1 3.96Å; Y381-F451 HydrophobicContact CD1-CD1 3.96Å; Y381-F451 HydrophobicContact CD1-CD2 4.47Å; Y381-F451 HydrophobicContact CD1-CE1 4.42Å; Y381-F451 AromaticContact CD1-CG 3.96Å; Y381-F451 HydrophobicContact CD1-CG 3.96Å; Y381-F451 AromaticContact CE1-CD1 3.58Å; Y381-F451 HydrophobicContact CE1-CD1 3.58Å; Y381-F451 AromaticContact CE1-CE1 3.83Å; Y381-F451 HydrophobicContact CE1-CE1 3.83Å; Y381-F451 HydrophobicContact CE1-CG 4.08Å; W382-F451 HydrophobicContact CB-CD2 3.44Å; W382-F451 VanDerWaalsContact CB-CD2 3.44Å; W382-F451 HydrophobicContact CB-CE2 3.59Å; Y436-F451 HydrophobicContact CD2-CE1 4.19Å; Y436-F451 HydrophobicContact CE1-CD1 4.04Å; Y436-F451 HydrophobicContact CE2-CD1 4.06Å; Y436-F451 AromaticContact CE2-CE1 3.9Å; Y436-F451 HydrophobicContact CE2-CE1 3.9Å; Y436-F451 AromaticContact CZ-CD1 3.76Å; L446-F451 HydrophobicContact CB-CE2 4.18Å; L446-F451 HydrophobicContact CB-CZ 4.38Å; L446-F451 WeakPolarHBondContact O-CE2 3.37Å; G447-F451 WeakPolarHBondContact O-CD2 3.27Å; R448-F451 PolarHBondContact O-N 3.36Å; F451-L481 HydrophobicContact CE1-CD2 3.84Å; F451-L481 HydrophobicContact CZ-CD2 3.83Å; F451-V483 HydrophobicContact CE1-CG2 3.91Å; F451-V483 HydrophobicContact CZ-CG2 4.04Å
452Q88.6Confident84.8Confident108 Ų10870 Ų7051%0.50538%0.383SS..Hα-helixtrans-78.8-30.2171.7-71.6-178.3-20.800112.4R448 D449 F450R448-Q452 HydrophobicContact CG-CG 4.45Å; R448-Q452 PolarHBondContact O-N 3.46Å; D449-Q452 PolarHBondContact O-N 3.04Å; F450-Q452 VanDerWaalsContact C-N 3.25Å; F450-Q452 PolarHBondContact O-N 3.45Å
453S88.4Confident85.5Confident85 Ų8569.4 Ų69.459%0.59438%0.375SS*.Hα-helixtrans-93.8-20.3-177.9500000113.9D449 F450D449-S453 PolarHBondContact O-N 3.1Å; D449-S453 VanDerWaalsContact O-N 3.16Å; D449-S453 PolarHBondContact O-OG 3.03Å; F450-S453 PolarHBondContact O-N 3.38Å; F450-S453 VanDerWaalsContact O-N 3.14Å; F450-S453 PolarHBondContact O-OG 3.15Å
454H90.9Very high86.4Confident62 Ų6264.7 Ų64.729%0.28735%0.354SS..  trans-115.2135.3-174.6-63.569.4000112Y436 F450Y436-H454 HydrophobicContact CD1-CB 4.28Å; F450-H454 AromaticContact CD2-CE1 3.66Å; F450-H454 AromaticContact CD2-CG 3.96Å; F450-H454 AromaticContact CD2-ND1 3.53Å; F450-H454 HydrophobicContact CE1-CB 4.43Å; F450-H454 HydrophobicContact CE2-CB 4.28Å; F450-H454 AromaticContact CE2-CD2 3.66Å; F450-H454 AromaticContact CE2-CE1 3.75Å; F450-H454 AromaticContact CE2-CG 3.62Å; F450-H454 AromaticContact CE2-ND1 3.66Å; F450-H454 AromaticContact CE2-NE2 3.73Å; F450-H454 HydrophobicContact CZ-CB 4.15Å; F450-H454 AromaticContact CZ-CG 3.96Å; F450-H454 WeakPolarHBondContact O-CB 3.49Å; F450-H454 PolarHBondContact O-N 3.44Å; F450-H454 PolarHBondContact O-ND1 2.74Å
455Q90.6Very high87Confident161 Ų16167.7 Ų67.775%0.75236%0.363SS*.  trans-89148.1170.3-67.8-60.7-40.500110.5
456P91.9Very high87.4Confident37 Ų3768.6 Ų68.624%0.2437%0.369CS..  trans-65.8137.5173.728.8-33.4000110A434 I435 Y436 C459A434-P456 HydrophobicContact CB-CB 4.12Å; I435-P456 CarbonylContact O-C 3.55Å; I435-P456 WeakPolarHBondContact O-CA 3.23Å; Y436-P456 HydrophobicContact CD1-CB 4.37Å; Y436-P456 HydrophobicContact CE1-CB 3.98Å; Y436-P456 HydrophobicContact CE2-CB 4.29Å; P456-C459 VanDerWaalsContact CG-SG 3.53Å
457Y89.7Confident87.6Confident107 Ų10767.8 Ų67.842%0.4236%0.364SS..SBendtrans-67.9-42.6172-171.9-84000110.7I435 Q437 L475 P476 Y480I435-Y457 PolarHBondContact O-N 3.29Å; Q437-Y457 HydrophobicContact CB-CD2 4.33Å; Y457-L475 HydrophobicContact CD1-CD2 3.41Å; Y457-L475 VanDerWaalsContact CD1-CD2 3.41Å; Y457-L475 HydrophobicContact CE1-CD2 3.38Å; Y457-L475 HydrophobicContact CG-CD2 4.48Å; Y457-P476 VanDerWaalsContact OH-CD 3.23Å; Y457-P476 WeakPolarHBondContact OH-CD 3.13Å; Y457-Y480 HydrophobicContact CG-CE1 4.47Å
458A88.3Confident87.8Confident22 Ų2266.7 Ų66.718%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-147.1155.9175.500000110.5I435 V473I435-A458 HydrophobicContact CB-CB 4.34Å; I435-A458 HydrophobicContact CD1-CB 4.08Å; I435-A458 HydrophobicContact CG1-CB 4.44Å; I435-A458 PolarHBondContact N-O 2.76Å; I435-A458 PolarHBondContact O-N 3.28Å; A458-V473 HydrophobicContact CB-CG1 4.05Å
459C87.3Confident88Confident58 Ų5861.3 Ų61.339%0.39233%0.33SS..EExtended strand (participates in β ladder)trans-132.3156.8176.4-70.10000109.5P456 S461P456-C459 VanDerWaalsContact CG-SG 3.53Å; C459-S461 PolarHBondContact O-N 2.77Å
460S82.9Confident88.1Confident7 Ų756.3 Ų56.35%0.04930%0.304CS..  trans-54.6135.8159.158.50000109G432 Y433 T462G432-S460 WeakPolarHBondContact CA-OG 3.47Å; Y433-S460 PolarHBondContact N-OG 2.84Å; Y433-S460 VanDerWaalsContact N-OG 3.1Å; Y433-S460 PolarHBondContact O-N 3.02Å; Y433-S460 PolarHBondContact O-OG 3.44Å; S460-T462 PolarHBondContact O-N 3.21Å; S460-T462 VanDerWaalsContact O-N 3.13Å
461S70.9Confident87.8Confident99 Ų9956.2 Ų56.269%0.69231%0.308SS*.SBendtrans-51.4-41.2-172540000113.5C459C459-S461 PolarHBondContact O-N 2.77Å
462T82.6Confident87.5Confident91 Ų9160.6 Ų60.656%0.55832%0.323SS*.SBendtrans-156.1150.4173.2-58.70000109.5S460 M464S460-T462 PolarHBondContact O-N 3.21Å; S460-T462 VanDerWaalsContact O-N 3.13Å; T462-M464 PolarHBondContact O-N 3.25Å
463Y88.3Confident87.4Confident39 Ų3956.4 Ų56.415%0.15331%0.305CS..  trans-70.1118.1169.2-83.1-111.1000109.1C374 I431 G432 S485 F487C374-Y463 HydrophobicContact CB-CE1 3.81Å; C374-Y463 HydrophobicContact CB-CE2 3.88Å; C374-Y463 VanDerWaalsContact CB-CZ 3.43Å; C374-Y463 WeakPolarHBondContact CB-OH 3.21Å; I431-Y463 VanDerWaalsContact O-CA 3.31Å; I431-Y463 WeakPolarHBondContact O-CA 3.38Å; G432-Y463 VanDerWaalsContact N-CE1 3.34Å; Y463-S485 WeakPolarHBondContact CE1-O 3.46Å; Y463-S485 PolarHBondContact OH-OG 2.58Å; Y463-F487 VanDerWaalsContact CD1-CA 3.5Å; Y463-F487 HydrophobicContact CD1-CB 3.67Å; Y463-F487 HydrophobicContact CD1-CD2 4.17Å; Y463-F487 HydrophobicContact CD1-CG 4.45Å; Y463-F487 HydrophobicContact CD2-CD2 4.25Å; Y463-F487 HydrophobicContact CE1-CB 4.43Å; Y463-F487 HydrophobicContact CG-CB 4.09Å; Y463-F487 AromaticContact CG-CD2 3.82Å; Y463-F487 HydrophobicContact CG-CD2 3.82Å; Y463-F487 HydrophobicContact CG-CG 4.47Å
464M86.6Confident87.3Confident57 Ų5757.7 Ų57.728%0.28130%0.302SS..BIsolated β-bridgetrans-120147.2-173.9-65.8-174.6-72.500110.9S430 I431 T462 L466 V469S430-M464 WeakPolarHBondContact CA-O 3.29Å; I431-M464 PolarHBondContact N-O 3.4Å; I431-M464 PolarHBondContact O-N 2.78Å; I431-M464 VanDerWaalsContact O-N 3.16Å; T462-M464 PolarHBondContact O-N 3.25Å; M464-L466 HydrophobicContact CB-CD1 4.26Å; M464-L466 HydrophobicContact CB-CG 4.11Å; M464-L466 HydrophobicContact CE-CD1 4.16Å; M464-L466 PolarHBondContact O-N 2.84Å; M464-L466 VanDerWaalsContact O-N 3.13Å; M464-L466 HydrophobicContact SD-CD1 4.02Å; M464-V469 HydrophobicContact CB-CG2 4.06Å; M464-V469 HydrophobicContact CE-CG1 4.05Å; M464-V469 HydrophobicContact CE-CG2 4.11Å
465N88.9Confident87.3Confident110 Ų11055 Ų5559%0.58829%0.289SS*.SBendtrans-85.246174.361.8-22.3000111.5M428M428-N465 HydrophobicContact CB-CB 4.4Å; M428-N465 VanDerWaalsContact CB-O 3.3Å; M428-N465 WeakPolarHBondContact CB-O 3.35Å
466L88.1Confident87.3Confident47 Ų4748.9 Ų48.925%0.24626%0.264CS..SBendtrans-103163.4176.2-64.5178000110.5Q415 M464 E468Q415-L466 PolarHBondContact NE2-O 3.39Å; M464-L466 HydrophobicContact CB-CD1 4.26Å; M464-L466 HydrophobicContact CB-CG 4.11Å; M464-L466 HydrophobicContact CE-CD1 4.16Å; M464-L466 PolarHBondContact O-N 2.84Å; M464-L466 VanDerWaalsContact O-N 3.13Å; M464-L466 HydrophobicContact SD-CD1 4.02Å; L466-E468 VanDerWaalsContact C-N 3.34Å; L466-E468 WeakPolarHBondContact CB-O 3.49Å
467R91.8Very high87.3Confident7 Ų749.8 Ų49.83%0.02627%0.269CS..SBendtrans-63.1-42.5175.3-169.4-179.277.6161.713.7111.8E202 E205 D206 M414 Q415 M428E202-R467 VanDerWaalsContact CA-CZ 3.46Å; E202-R467 HydrophobicContact CG-CB 3.93Å; E202-R467 PolarHBondContact O-NH1 3.07Å; E202-R467 PolarHBondContact O-NH2 2.99Å; E205-R467 IonicContact OE2-CZ 3.84Å; E205-R467 IonicContact OE2-NE 2.78Å; E205-R467 IonicContact OE2-NH2 3.83Å; E205-R467 PolarHBondContact OE2-NH2 2.84Å; D206-R467 IonicContact OD1-CZ 2.7Å; D206-R467 VanDerWaalsContact OD1-CZ 3.24Å; D206-R467 IonicContact OD1-NH1 3.48Å; D206-R467 PolarHBondContact OD1-NH1 2.82Å; D206-R467 IonicContact OD1-NH2 3.8Å; D206-R467 PolarHBondContact OD1-NH2 3.18Å; D206-R467 IonicContact OD2-CZ 3.28Å; D206-R467 IonicContact OD2-NH1 2.65Å; D206-R467 PolarHBondContact OD2-NH1 2.77Å; M414-R467 CarbonylContact C-O 3.46Å; M414-R467 WeakPolarHBondContact CA-O 3.45Å; M414-R467 HydrophobicContact CG-CG 4.17Å; Q415-R467 WeakPolarHBondContact CG-O 3.5Å; Q415-R467 PolarHBondContact N-O 2.83Å; M428-R467 HydrophobicContact CE-CB 3.83Å; M428-R467 HydrophobicContact CE-CG 4.18Å; M428-R467 HydrophobicContact SD-CB 4.38Å
468E91.3Very high87.4Confident9 Ų945.8 Ų45.84%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-128.2143.6173.4178166.9108.400110.9E205 L413 M414 L466 R498E205-E468 VanDerWaalsContact OE1-OE1 3.05Å; L413-E468 VanDerWaalsContact O-CA 3.29Å; L413-E468 WeakPolarHBondContact O-CA 3.34Å; M414-E468 HydrophobicContact CB-CB 4.11Å; M414-E468 HydrophobicContact CB-CG 4.32Å; M414-E468 HydrophobicContact CE-CB 4.13Å; M414-E468 VanDerWaalsContact CE-OE2 3.31Å; M414-E468 WeakPolarHBondContact CE-OE2 3.43Å; M414-E468 HydrophobicContact CG-CB 4.18Å; L466-E468 VanDerWaalsContact C-N 3.34Å; L466-E468 WeakPolarHBondContact CB-O 3.49Å; E468-R498 IonicContact OE1-CZ 3.88Å; E468-R498 IonicContact OE1-NH2 2.69Å; E468-R498 PolarHBondContact OE1-NH2 2.98Å; E468-R498 IonicContact OE2-CZ 3.93Å; E468-R498 IonicContact OE2-NE 3.75Å; E468-R498 PolarHBondContact OE2-NE 3.18Å; E468-R498 IonicContact OE2-NH2 3.5Å; E468-R498 PolarHBondContact OE2-NH2 3.1Å
469V90.6Very high87.6Confident1 Ų146 Ų461%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-112.4118.7163.2176.80000107.9L413 I431 Y433 M464L413-V469 PolarHBondContact N-O 3.26Å; L413-V469 PolarHBondContact O-N 2.99Å; I431-V469 HydrophobicContact CD1-CG2 4.43Å; I431-V469 HydrophobicContact CG1-CG2 3.88Å; Y433-V469 HydrophobicContact CE1-CG1 4.47Å; M464-V469 HydrophobicContact CB-CG2 4.06Å; M464-V469 HydrophobicContact CE-CG1 4.05Å; M464-V469 HydrophobicContact CE-CG2 4.11Å
470S89.4Confident87.9Confident18 Ų1843.3 Ų43.313%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-121.8148.417963.60000112S212 L411S212-S470 WeakPolarHBondContact O-CB 3.4Å; S212-S470 PolarHBondContact O-OG 3Å; L411-S470 CarbonylContact O-C 3.2Å; L411-S470 WeakPolarHBondContact O-CA 3.47Å
471S85.4Confident88.5Confident29 Ų2943 Ų4320%0.20324%0.237CC..EExtended strand (participates in β ladder)trans-150.1149.3167.777.40000111.6L410 L411 Y433L410-S471 WeakPolarHBondContact CA-O 3.29Å; L411-S471 PolarHBondContact N-O 3.45Å; L411-S471 PolarHBondContact O-N 3.31Å; Y433-S471 PolarHBondContact OH-N 2.8Å; Y433-S471 VanDerWaalsContact OH-N 3.17Å; Y433-S471 PolarHBondContact OH-OG 3.28Å
472R85.5Confident89.7Confident119 Ų11938.3 Ų38.345%0.44920%0.204SC..EExtended strand (participates in β ladder)trans-87.6129.8168.2-177.3-172.8-69.4-129.9-1.7108.5E213 T408 L410E213-R472 VanDerWaalsContact CD-NH2 3.27Å; E213-R472 IonicContact OE1-CZ 2.75Å; E213-R472 IonicContact OE1-NH2 3.23Å; E213-R472 PolarHBondContact OE1-NH2 3.31Å; E213-R472 IonicContact OE2-CZ 2.84Å; E213-R472 VanDerWaalsContact OE2-CZ 3.27Å; E213-R472 IonicContact OE2-NE 3.59Å; E213-R472 PolarHBondContact OE2-NE 3.05Å; E213-R472 IonicContact OE2-NH2 3.89Å; E213-R472 PolarHBondContact OE2-NH2 2.88Å; T408-R472 HydrophobicContact CG2-CG 4.06Å; L410-R472 HydrophobicContact CG-CB 4.16Å; L410-R472 HydrophobicContact CG-CG 4.34Å
473V86.6Confident90.3Very high19 Ų1934 Ų3412%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-132.1133.7178.9-167.70000108.8V409 I435 A458 L475V409-V473 PolarHBondContact N-O 3.19Å; V409-V473 PolarHBondContact O-N 2.94Å; V409-V473 VanDerWaalsContact O-O 3.13Å; I435-V473 HydrophobicContact CD1-CB 4.46Å; I435-V473 HydrophobicContact CD1-CG1 4.33Å; I435-V473 HydrophobicContact CD1-CG2 4.06Å; A458-V473 HydrophobicContact CB-CG1 4.05Å; V473-L475 HydrophobicContact CB-CG 4.47Å; V473-L475 HydrophobicContact CG1-CD1 4.44Å; V473-L475 HydrophobicContact CG1-CD2 3.57Å; V473-L475 HydrophobicContact CG1-CG 3.79Å
474Q86.8Confident90.7Very high113 Ų11332.1 Ų32.153%0.52817%0.17SC..EExtended strand (participates in β ladder)trans-100.2121.1169.9-74.7179.5-2600107.9C406C406-Q474 HydrophobicContact CB-CB 4.15Å
475L89.9Confident91.2Very high5 Ų529.4 Ų29.43%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-123.6136.1-175.1-65.3176.6000109.2L391 C406 C407 I435 Y457 V473 Y480L391-L475 HydrophobicContact CD1-CB 3.72Å; L391-L475 HydrophobicContact CD1-CD1 3.82Å; L391-L475 HydrophobicContact CD1-CG 4.37Å; C406-L475 WeakPolarHBondContact CA-O 3.46Å; C407-L475 PolarHBondContact N-O 3.4Å; C407-L475 PolarHBondContact O-N 3.12Å; I435-L475 HydrophobicContact CG2-CD1 4.33Å; Y457-L475 HydrophobicContact CD1-CD2 3.41Å; Y457-L475 VanDerWaalsContact CD1-CD2 3.41Å; Y457-L475 HydrophobicContact CE1-CD2 3.38Å; Y457-L475 HydrophobicContact CG-CD2 4.48Å; V473-L475 HydrophobicContact CB-CG 4.47Å; V473-L475 HydrophobicContact CG1-CD1 4.44Å; V473-L475 HydrophobicContact CG1-CD2 3.57Å; V473-L475 HydrophobicContact CG1-CG 3.79Å; L475-Y480 HydrophobicContact CB-CE1 4.33Å; L475-Y480 HydrophobicContact CB-CE2 3.9Å; L475-Y480 HydrophobicContact CD1-CD1 4.11Å; L475-Y480 HydrophobicContact CD1-CD2 4.01Å; L475-Y480 HydrophobicContact CD1-CE1 4.25Å; L475-Y480 HydrophobicContact CD1-CE2 4.17Å; L475-Y480 HydrophobicContact CD1-CG 3.98Å; L475-Y480 HydrophobicContact CD2-CD1 4.39Å; L475-Y480 HydrophobicContact CD2-CE1 3.97Å; L475-Y480 HydrophobicContact CG-CE1 4.42Å
476P91.3Very high91.6Very high33 Ų3324.2 Ų24.221%0.21413%0.129CC..  trans-57154.7168.6-24.733.5000111.5Y457 G478 Y480Y457-P476 VanDerWaalsContact OH-CD 3.23Å; Y457-P476 WeakPolarHBondContact OH-CD 3.13Å; P476-G478 PolarHBondContact O-N 3.15Å; P476-Y480 WeakPolarHBondContact CD-OH 3.45Å; P476-Y480 VanDerWaalsContact O-CE2 3.27Å; P476-Y480 WeakPolarHBondContact O-CE2 3.3Å; P476-Y480 PolarHBondContact O-OH 2.83Å
477P91.6Very high92Very high55 Ų5524.7 Ų24.736%0.35713%0.13SC..SBendtrans-52.7133.7171.8-27.435.3000111.7L391 V394 P405L391-P477 CarbonylContact O-C 3.5Å; L391-P477 WeakPolarHBondContact O-CA 3.13Å; V394-P477 HydrophobicContact CG2-CG 3.65Å; P405-P477 WeakPolarHBondContact O-CD 3.22Å
478G91.4Very high92.2Very high23 Ų2328.7 Ų28.724%0.23715%0.149CC..EExtended strand (participates in β ladder)trans157.4-165.9-175.100000114.4L391 P476L391-G478 PolarHBondContact N-O 3.04Å; L391-G478 PolarHBondContact O-N 2.82Å; P476-G478 PolarHBondContact O-N 3.15Å
479Q92.9Very high92.3Very high28 Ų2829.2 Ų29.213%0.13115%0.153CC..EExtended strand (participates in β ladder)trans-111.8131.4-177.7-7316975.100110.8Y390 L438 H441Y390-Q479 HydrophobicContact CD1-CG 3.63Å; Y390-Q479 HydrophobicContact CE1-CG 3.86Å; Y390-Q479 HydrophobicContact CG-CG 4.48Å; L438-Q479 HydrophobicContact CB-CB 4.1Å; L438-Q479 PolarHBondContact N-O 3.17Å; H441-Q479 PolarHBondContact CE1-NE2 2.78Å; H441-Q479 PolarHBondContact CE1-OE1 2.88Å; H441-Q479 PolarHBondContact ND1-NE2 2.87Å; H441-Q479 PolarHBondContact ND1-OE1 2.74Å; H441-Q479 PolarHBondContact NE2-NE2 2.85Å
480Y93.8Very high92.3Very high1 Ų133.3 Ų33.30%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-129.1146.2-176.9-61.3-85.9000111.4K388 I389 L391 I435 Y436 Q437 Y457 L475 P476K388-Y480 CarbonylContact C-O 3.6Å; K388-Y480 VanDerWaalsContact CA-O 3.29Å; K388-Y480 WeakPolarHBondContact CA-O 3.28Å; I389-Y480 PolarHBondContact N-O 2.94Å; I389-Y480 PolarHBondContact O-N 2.98Å; L391-Y480 HydrophobicContact CD1-CD2 3.81Å; L391-Y480 HydrophobicContact CD1-CE2 3.8Å; L391-Y480 HydrophobicContact CG-CD2 4.31Å; L391-Y480 HydrophobicContact CG-CE2 4.47Å; I435-Y480 HydrophobicContact CG2-CD1 3.91Å; I435-Y480 HydrophobicContact CG2-CG 4.22Å; Y436-Y480 CarbonylContact O-C 3.58Å; Y436-Y480 VanDerWaalsContact O-CA 3.24Å; Y436-Y480 WeakPolarHBondContact O-CA 3.12Å; Q437-Y480 HydrophobicContact CB-CD1 4.2Å; Q437-Y480 HydrophobicContact CB-CE1 3.97Å; Q437-Y480 HydrophobicContact CG-CD1 4.42Å; Q437-Y480 HydrophobicContact CG-CE1 3.92Å; Y457-Y480 HydrophobicContact CG-CE1 4.47Å; L475-Y480 HydrophobicContact CB-CE1 4.33Å; L475-Y480 HydrophobicContact CB-CE2 3.9Å; L475-Y480 HydrophobicContact CD1-CD1 4.11Å; L475-Y480 HydrophobicContact CD1-CD2 4.01Å; L475-Y480 HydrophobicContact CD1-CE1 4.25Å; L475-Y480 HydrophobicContact CD1-CE2 4.17Å; L475-Y480 HydrophobicContact CD1-CG 3.98Å; L475-Y480 HydrophobicContact CD2-CD1 4.39Å; L475-Y480 HydrophobicContact CD2-CE1 3.97Å; L475-Y480 HydrophobicContact CG-CE1 4.42Å; P476-Y480 WeakPolarHBondContact CD-OH 3.45Å; P476-Y480 VanDerWaalsContact O-CE2 3.27Å; P476-Y480 WeakPolarHBondContact O-CE2 3.3Å; P476-Y480 PolarHBondContact O-OH 2.83Å
481L94.7Very high92.5Very high0 Ų036.1 Ų36.10%018%0.181CC..EExtended strand (participates in β ladder)trans-107.4122.8172.8-179.774.7000109.3Q386 F387 I435 Y436 L438 L446 F450 F451 V483 I510Q386-L481 HydrophobicContact CB-CD1 3.81Å; Q386-L481 HydrophobicContact CG-CD1 4.32Å; F387-L481 CarbonylContact O-C 3.47Å; F387-L481 WeakPolarHBondContact O-CA 3.38Å; I435-L481 CarbonylContact C-O 3.35Å; I435-L481 WeakPolarHBondContact CA-O 3.48Å; Y436-L481 HydrophobicContact CD2-CD2 4.32Å; Y436-L481 PolarHBondContact N-O 3.17Å; Y436-L481 PolarHBondContact O-N 3.43Å; L438-L481 HydrophobicContact CD1-CB 4.25Å; L438-L481 HydrophobicContact CD2-CB 4.21Å; L438-L481 HydrophobicContact CG-CB 4.27Å; L446-L481 HydrophobicContact CD1-CD1 4.25Å; L446-L481 HydrophobicContact CD1-CD2 3.56Å; L446-L481 HydrophobicContact CD1-CG 4.41Å; F450-L481 HydrophobicContact CE1-CD2 4.02Å; F451-L481 HydrophobicContact CE1-CD2 3.84Å; F451-L481 HydrophobicContact CZ-CD2 3.83Å; L481-V483 HydrophobicContact CD2-CG2 3.75Å; L481-V483 HydrophobicContact CG-CG2 3.9Å; L481-I510 HydrophobicContact CD1-CD1 3.34Å; L481-I510 HydrophobicContact CD1-CG1 4.22Å
482V95.9Very high92.8Very high0 Ų038.2 Ų38.20%019%0.19CC..EExtended strand (participates in β ladder)trans-103.2124.6171.4-174.80000109.5F387 I389 L411 Y433 A434 I435 P484 L497F387-V482 PolarHBondContact N-O 3.41Å; F387-V482 PolarHBondContact O-N 3.13Å; I389-V482 HydrophobicContact CD1-CG2 3.42Å; I389-V482 VanDerWaalsContact CD1-CG2 3.42Å; I389-V482 HydrophobicContact CG1-CG2 4.15Å; L411-V482 HydrophobicContact CD1-CG1 4.33Å; L411-V482 HydrophobicContact CD1-CG2 3.92Å; Y433-V482 HydrophobicContact CD2-CG1 4.42Å; A434-V482 WeakPolarHBondContact O-CA 3.48Å; I435-V482 HydrophobicContact CG1-CG2 4.42Å; V482-P484 WeakPolarHBondContact O-CD 3.44Å; V482-L497 HydrophobicContact CB-CD2 4.35Å; V482-L497 HydrophobicContact CG1-CD1 4.24Å; V482-L497 HydrophobicContact CG1-CD2 3.96Å
483V96.4Very high93.1Very high0 Ų032.9 Ų32.90%017%0.172CC..EExtended strand (participates in β ladder)trans-116.998178.2-172.90000109.3Y381 N384 Q386 Y433 A434 Y436 F451 L481Y381-V483 HydrophobicContact CE1-CG1 4.32Å; Y381-V483 HydrophobicContact CE2-CG1 4.15Å; N384-V483 HydrophobicContact CB-CG1 3.74Å; Q386-V483 HydrophobicContact CG-CG2 4.26Å; Y433-V483 VanDerWaalsContact CA-O 3.28Å; Y433-V483 WeakPolarHBondContact CA-O 3.29Å; A434-V483 PolarHBondContact N-O 3.34Å; A434-V483 PolarHBondContact O-N 3.21Å; Y436-V483 HydrophobicContact CD2-CG2 4.43Å; Y436-V483 HydrophobicContact CE2-CG2 4.34Å; F451-V483 HydrophobicContact CE1-CG2 3.91Å; F451-V483 HydrophobicContact CZ-CG2 4.04Å; L481-V483 HydrophobicContact CD2-CG2 3.75Å; L481-V483 HydrophobicContact CG-CG2 3.9Å
484P96.9Very high93.4Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-79.1135173.431.2-35.1000111.6W365 P385 F387 L413 V482 F495W365-P484 HydrophobicContact CZ2-CB 4.24Å; W365-P484 PolarHBondContact NE1-O 3.26Å; W365-P484 VanDerWaalsContact NE1-O 3.08Å; P385-P484 WeakPolarHBondContact O-CD 3.31Å; F387-P484 HydrophobicContact CD2-CG 3.92Å; F387-P484 HydrophobicContact CE2-CG 3.6Å; L413-P484 HydrophobicContact CD1-CB 3.54Å; L413-P484 HydrophobicContact CD1-CG 4.5Å; L413-P484 HydrophobicContact CD2-CB 3.64Å; L413-P484 HydrophobicContact CG-CB 4.2Å; V482-P484 WeakPolarHBondContact O-CD 3.44Å; P484-F495 HydrophobicContact CB-CE2 4.21Å; P484-F495 HydrophobicContact CB-CZ 4.45Å; P484-F495 HydrophobicContact CG-CD2 4.46Å; P484-F495 HydrophobicContact CG-CE2 3.63Å; P484-F495 HydrophobicContact CG-CZ 3.71Å
485S97.1Very high93.8Very high0 Ų029.4 Ų29.40%016%0.156CC..EExtended strand (participates in β ladder)trans-148.8166178.976.90000113.2G373 N384 G432 Y463G373-S485 WeakPolarHBondContact O-CB 3.29Å; G373-S485 PolarHBondContact O-OG 3.39Å; N384-S485 VanDerWaalsContact CG-CB 3.49Å; N384-S485 WeakPolarHBondContact ND2-CB 3.37Å; N384-S485 WeakPolarHBondContact OD1-CB 3.39Å; G432-S485 PolarHBondContact N-O 3.32Å; G432-S485 PolarHBondContact O-N 2.87Å; Y463-S485 WeakPolarHBondContact CE1-O 3.46Å; Y463-S485 PolarHBondContact OH-OG 2.58Å
486T97Very high94Very high1 Ų129.1 Ų29.11%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-84.1159.2162.753.20000109.7W365 G373 C374 L429 S430 I431 E488 K491W365-T486 HydrophobicContact CD2-CG2 3.95Å; W365-T486 HydrophobicContact CE3-CG2 3.72Å; W365-T486 HydrophobicContact CH2-CG2 4.41Å; W365-T486 HydrophobicContact CZ3-CG2 3.97Å; G373-T486 CarbonylContact C-O 3.45Å; G373-T486 VanDerWaalsContact CA-O 3.23Å; G373-T486 WeakPolarHBondContact CA-O 3.31Å; C374-T486 PolarHBondContact N-O 2.99Å; L429-T486 HydrophobicContact CB-CG2 4.27Å; L429-T486 HydrophobicContact CD1-CG2 3.51Å; S430-T486 CarbonylContact O-C 3.44Å; S430-T486 WeakPolarHBondContact O-CA 3.34Å; I431-T486 HydrophobicContact CG2-CG2 4.15Å; T486-E488 PolarHBondContact OG1-O 2.75Å; T486-K491 HydrophobicContact CG2-CB 4.13Å
487F95.6Very high94.1Very high57 Ų5727.6 Ų27.625%0.2515%0.145CC..SBendtrans-62.9-54.9179-176.7-97.5000110.9C374 Y377 S430 Y463C374-F487 PolarHBondContact N-O 2.83Å; C374-F487 PolarHBondContact SG-O 2.89Å; Y377-F487 VanDerWaalsContact CE2-O 3.23Å; Y377-F487 WeakPolarHBondContact CE2-O 3.06Å; S430-F487 PolarHBondContact O-N 3.03Å; Y463-F487 VanDerWaalsContact CD1-CA 3.5Å; Y463-F487 HydrophobicContact CD1-CB 3.67Å; Y463-F487 HydrophobicContact CD1-CD2 4.17Å; Y463-F487 HydrophobicContact CD1-CG 4.45Å; Y463-F487 HydrophobicContact CD2-CD2 4.25Å; Y463-F487 HydrophobicContact CE1-CB 4.43Å; Y463-F487 HydrophobicContact CG-CB 4.09Å; Y463-F487 AromaticContact CG-CD2 3.82Å; Y463-F487 HydrophobicContact CG-CD2 3.82Å; Y463-F487 HydrophobicContact CG-CG 4.47Å
488E95.5Very high94.2Very high91 Ų9125 Ų2543%0.42513%0.128SC..SBendtrans-87.8147.1175.3-58.9-174.6152.500110.6T486 K491T486-E488 PolarHBondContact OG1-O 2.75Å; E488-K491 HydrophobicContact CB-CG 4.32Å; E488-K491 WeakPolarHBondContact OE2-CE 3.31Å; E488-K491 IonicContact OE2-NZ 3.78Å; E488-K491 PolarHBondContact OE2-NZ 2.72Å
489P93.4Very high94.2Very high20 Ų2024 Ų2413%0.1312%0.117CC..THydrogen-bonded Turntrans-69.4169.5171.331-35.5000111.9A371 Y377 K491A371-P489 WeakPolarHBondContact O-CA 3.34Å; Y377-P489 HydrophobicContact CD1-CG 3.99Å; Y377-P489 HydrophobicContact CE1-CG 4.24Å; Y377-P489 HydrophobicContact CG-CG 4.16Å; P489-K491 PolarHBondContact O-N 2.91Å
490F91.4Very high93.9Very high87 Ų8722.7 Ų22.738%0.38211%0.111SC..THydrogen-bonded Turntrans62.919.4173.8-48.8-65000115.6R367 A371 T380R367-F490 HydrophobicContact CG-CB 4Å; R367-F490 HydrophobicContact CG-CD1 4.28Å; A371-F490 PolarHBondContact O-N 2.94Å; T380-F490 HydrophobicContact CG2-CZ 4.38Å
491K92.9Very high93.6Very high77 Ų7722.9 Ų22.934%0.33511%0.112SC..  trans-91.8118.8172.7-57.2-62.2-178.3178.10110.4W365 L429 T486 E488 P489W365-K491 WeakPolarHBondContact CB-O 3.42Å; L429-K491 HydrophobicContact CD1-CB 3.69Å; L429-K491 HydrophobicContact CD2-CB 4.27Å; L429-K491 HydrophobicContact CD2-CD 4.49Å; L429-K491 HydrophobicContact CD2-CG 4.47Å; T486-K491 HydrophobicContact CG2-CB 4.13Å; E488-K491 HydrophobicContact CB-CG 4.32Å; E488-K491 WeakPolarHBondContact OE2-CE 3.31Å; E488-K491 IonicContact OE2-NZ 3.78Å; E488-K491 PolarHBondContact OE2-NZ 2.72Å; P489-K491 PolarHBondContact O-N 2.91Å
492D91.6Very high92.9Very high73 Ų7324.4 Ų24.439%0.3912%0.119SC..  trans-73.3136.4175.2-70.2-59.6000111.8W365 T366 R367 R418W365-D492 VanDerWaalsContact O-CA 3.32Å; W365-D492 WeakPolarHBondContact O-CA 3.19Å; T366-D492 WeakPolarHBondContact CA-OD1 3.45Å; R367-D492 WeakPolarHBondContact CB-OD1 3.32Å; R367-D492 PolarHBondContact N-OD1 2.99Å; R418-D492 PolarHBondContact NH1-O 2.82Å; R418-D492 PolarHBondContact NH2-O 2.75Å
493G92.3Very high92.3Very high7 Ų726 Ų267%0.07213%0.126CC..EExtended strand (participates in β ladder)trans-174.9141.4176.600000114.6R364 W365R364-G493 CarbonylContact C-O 3.49Å; R364-G493 WeakPolarHBondContact CA-O 3.34Å; W365-G493 PolarHBondContact N-O 2.81Å; W365-G493 PolarHBondContact O-N 3.11Å
494D93.4Very high91.6Very high59 Ų5933.5 Ų33.532%0.31616%0.159SC..EExtended strand (participates in β ladder)trans-88.5143.7166.8-58.2-54.1000109.4R364 K416R364-D494 VanDerWaalsContact CD-OD1 3.25Å; R364-D494 WeakPolarHBondContact CD-OD1 3.49Å; R364-D494 VanDerWaalsContact CG-OD1 3.28Å; R364-D494 WeakPolarHBondContact CG-OD1 3.48Å; R364-D494 IonicContact NE-OD1 3.4Å; R364-D494 IonicContact NH1-OD1 2.87Å; K416-D494 HydrophobicContact CB-CB 4.09Å; K416-D494 HydrophobicContact CD-CB 4.07Å; K416-D494 HydrophobicContact CG-CB 4.21Å; K416-D494 PolarHBondContact N-O 2.82Å
495F94.9Very high91.1Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-138.6164.1178.770.3-94.3000112.9G363 W365 P385 F387 L413 M414 K416 P484 L497G363-F495 VanDerWaalsContact C-CE1 3.43Å; G363-F495 PolarHBondContact N-O 2.79Å; G363-F495 PolarHBondContact O-N 3.24Å; W365-F495 AromaticContact CD2-CD1 3.63Å; W365-F495 HydrophobicContact CD2-CD1 3.63Å; W365-F495 HydrophobicContact CD2-CE1 4.02Å; W365-F495 AromaticContact CE2-CD1 3.45Å; W365-F495 VanDerWaalsContact CE2-CD1 3.45Å; W365-F495 AromaticContact CE2-CE1 3.65Å; W365-F495 HydrophobicContact CE3-CB 4.42Å; W365-F495 AromaticContact CE3-CD1 3.84Å; W365-F495 HydrophobicContact CE3-CD1 3.84Å; W365-F495 HydrophobicContact CG-CD1 4.31Å; W365-F495 HydrophobicContact CG-CE1 4.32Å; W365-F495 HydrophobicContact CH2-CB 3.61Å; W365-F495 AromaticContact CH2-CD1 3.78Å; W365-F495 HydrophobicContact CH2-CD1 3.78Å; W365-F495 AromaticContact CH2-CG 3.83Å; W365-F495 HydrophobicContact CH2-CG 3.83Å; W365-F495 HydrophobicContact CZ2-CB 4.18Å; W365-F495 AromaticContact CZ2-CD1 3.55Å; W365-F495 HydrophobicContact CZ2-CD1 3.55Å; W365-F495 HydrophobicContact CZ2-CE1 4.02Å; W365-F495 AromaticContact CZ2-CG 3.87Å; W365-F495 HydrophobicContact CZ2-CG 3.87Å; W365-F495 HydrophobicContact CZ3-CB 3.74Å; W365-F495 AromaticContact CZ3-CD1 3.91Å; W365-F495 HydrophobicContact CZ3-CD1 3.91Å; W365-F495 HydrophobicContact CZ3-CG 4.18Å; W365-F495 AromaticContact NE1-CD1 3.99Å; W365-F495 AromaticContact NE1-CE1 3.68Å; P385-F495 HydrophobicContact CB-CZ 4.01Å; P385-F495 HydrophobicContact CG-CE1 4Å; P385-F495 HydrophobicContact CG-CZ 3.9Å; F387-F495 AromaticContact CE2-CE2 3.92Å; F387-F495 HydrophobicContact CE2-CE2 3.92Å; F387-F495 AromaticContact CE2-CZ 3.98Å; F387-F495 HydrophobicContact CE2-CZ 3.98Å; F387-F495 HydrophobicContact CZ-CE2 4.09Å; F387-F495 HydrophobicContact CZ-CZ 4.15Å; L413-F495 HydrophobicContact CD1-CB 4.04Å; L413-F495 HydrophobicContact CD1-CD2 3.55Å; L413-F495 HydrophobicContact CD1-CE2 4.28Å; L413-F495 HydrophobicContact CD1-CG 3.99Å; M414-F495 CarbonylContact O-C 3.47Å; M414-F495 WeakPolarHBondContact O-CA 3.36Å; M414-F495 WeakPolarHBondContact O-CB 3.48Å; K416-F495 VanDerWaalsContact CE-O 3.25Å; K416-F495 WeakPolarHBondContact CE-O 3.33Å; P484-F495 HydrophobicContact CB-CE2 4.21Å; P484-F495 HydrophobicContact CB-CZ 4.45Å; P484-F495 HydrophobicContact CG-CD2 4.46Å; P484-F495 HydrophobicContact CG-CE2 3.63Å; P484-F495 HydrophobicContact CG-CZ 3.71Å; F495-L497 HydrophobicContact CD2-CB 4.47Å; F495-L497 HydrophobicContact CE2-CB 4.33Å
496C93.9Very high90.6Very high0 Ų039.9 Ų39.90%019%0.189CC..EExtended strand (participates in β ladder)trans-126.3119.3173.6178.10000107.4I360 F361 M414I360-C496 WeakPolarHBondContact CG2-SG 3.39Å; F361-C496 CarbonylContact O-C 3.51Å; F361-C496 VanDerWaalsContact O-CA 3.3Å; F361-C496 WeakPolarHBondContact O-CA 3.35Å; M414-C496 HydrophobicContact CB-CB 4.35Å; M414-C496 PolarHBondContact N-O 3.11Å; M414-C496 PolarHBondContact O-N 2.84Å
497L94.3Very high90.1Very high0 Ų040.4 Ų40.40%019%0.193CC..EExtended strand (participates in β ladder)trans-100.2122.7171.8176.868.5000108.1I360 F361 F387 G412 L413 V482 F495I360-L497 WeakPolarHBondContact CA-O 3.48Å; F361-L497 HydrophobicContact CB-CB 4.34Å; F361-L497 HydrophobicContact CD2-CD2 4.43Å; F361-L497 PolarHBondContact N-O 3.14Å; F361-L497 PolarHBondContact O-N 3.47Å; F387-L497 HydrophobicContact CB-CD2 3.9Å; F387-L497 HydrophobicContact CD1-CD2 4.47Å; F387-L497 HydrophobicContact CD2-CD2 3.44Å; F387-L497 VanDerWaalsContact CD2-CD2 3.44Å; F387-L497 HydrophobicContact CE2-CD2 4.09Å; F387-L497 HydrophobicContact CG-CD2 3.66Å; G412-L497 CarbonylContact O-C 3.51Å; G412-L497 WeakPolarHBondContact O-CA 3.43Å; L413-L497 HydrophobicContact CB-CD1 4.45Å; V482-L497 HydrophobicContact CB-CD2 4.35Å; V482-L497 HydrophobicContact CG1-CD1 4.24Å; V482-L497 HydrophobicContact CG1-CD2 3.96Å; F495-L497 HydrophobicContact CD2-CB 4.47Å; F495-L497 HydrophobicContact CE2-CB 4.33Å
498R92.5Very high89.8Confident1 Ų141 Ų410%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-113.9125.5-177.2-50.4-172.3-66.5164.36.7108.9E205 G210 L358 I360 L411 G412 E468 F500E205-R498 IonicContact OE1-CZ 3.24Å; E205-R498 IonicContact OE1-NH2 2.77Å; E205-R498 PolarHBondContact OE1-NH2 2.78Å; G210-R498 PolarHBondContact O-NH1 2.82Å; L358-R498 HydrophobicContact CD1-CB 4.25Å; I360-R498 HydrophobicContact CG1-CG 4.46Å; L411-R498 WeakPolarHBondContact CA-O 3.29Å; G412-R498 PolarHBondContact N-O 2.91Å; G412-R498 PolarHBondContact O-N 2.82Å; E468-R498 IonicContact OE1-CZ 3.88Å; E468-R498 IonicContact OE1-NH2 2.69Å; E468-R498 PolarHBondContact OE1-NH2 2.98Å; E468-R498 IonicContact OE2-CZ 3.93Å; E468-R498 IonicContact OE2-NE 3.75Å; E468-R498 PolarHBondContact OE2-NE 3.18Å; E468-R498 IonicContact OE2-NH2 3.5Å; E468-R498 PolarHBondContact OE2-NH2 3.1Å; R498-F500 HydrophobicContact CB-CD2 4.19Å; R498-F500 HydrophobicContact CB-CE2 3.7Å
499V91.5Very high89.3Confident2 Ų238.6 Ų38.61%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-113109.1177.4-173.90000107.5L358 V359 F361 I389 V409 L411L358-V499 WeakPolarHBondContact CA-O 3.47Å; V359-V499 HydrophobicContact CB-CB 4.46Å; V359-V499 PolarHBondContact N-O 3.26Å; V359-V499 PolarHBondContact O-N 2.96Å; F361-V499 HydrophobicContact CE2-CG2 4.33Å; I389-V499 HydrophobicContact CD1-CB 4.47Å; I389-V499 HydrophobicContact CD1-CG1 3.77Å; I389-V499 HydrophobicContact CD1-CG2 3.82Å; I389-V499 HydrophobicContact CG1-CG1 4.42Å; I389-V499 HydrophobicContact CG1-CG2 4.39Å; I389-V499 HydrophobicContact CG2-CG1 4.37Å; V409-V499 HydrophobicContact CG1-CG1 3.82Å; L411-V499 HydrophobicContact CD2-CB 4.13Å; L411-V499 HydrophobicContact CD2-CG1 3.95Å; L411-V499 HydrophobicContact CD2-CG2 3.71Å
500F88Confident88.6Confident1 Ų138 Ų380%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-101.4125.6171.6-68.5-103.5000108.4I211 W356 N357 L358 V409 L410 R498I211-F500 HydrophobicContact CB-CD1 4.38Å; I211-F500 HydrophobicContact CB-CD2 3.85Å; I211-F500 HydrophobicContact CB-CE1 4.08Å; I211-F500 HydrophobicContact CB-CE2 3.5Å; I211-F500 VanDerWaalsContact CB-CE2 3.5Å; I211-F500 HydrophobicContact CB-CG 4.27Å; I211-F500 HydrophobicContact CB-CZ 3.63Å; I211-F500 HydrophobicContact CD1-CD2 3.24Å; I211-F500 HydrophobicContact CD1-CE2 3.53Å; I211-F500 HydrophobicContact CD1-CG 4.03Å; I211-F500 HydrophobicContact CG1-CD2 4.11Å; I211-F500 HydrophobicContact CG1-CE2 4.01Å; I211-F500 HydrophobicContact CG2-CD1 3.85Å; I211-F500 HydrophobicContact CG2-CD2 4.01Å; I211-F500 HydrophobicContact CG2-CE1 3.88Å; I211-F500 HydrophobicContact CG2-CE2 4.04Å; I211-F500 HydrophobicContact CG2-CG 3.9Å; I211-F500 HydrophobicContact CG2-CZ 3.97Å; W356-F500 HydrophobicContact CB-CD1 3.94Å; W356-F500 HydrophobicContact CD2-CB 4.44Å; W356-F500 HydrophobicContact CE3-CB 4.02Å; W356-F500 HydrophobicContact CG-CD1 4.36Å; N357-F500 CarbonylContact O-C 3.53Å; N357-F500 WeakPolarHBondContact O-CA 3.29Å; L358-F500 HydrophobicContact CB-CD1 4.39Å; L358-F500 HydrophobicContact CB-CE1 4.27Å; L358-F500 HydrophobicContact CD1-CD1 4.08Å; L358-F500 HydrophobicContact CD1-CD2 3.77Å; L358-F500 HydrophobicContact CD1-CE1 3.76Å; L358-F500 HydrophobicContact CD1-CE2 3.43Å; L358-F500 VanDerWaalsContact CD1-CE2 3.43Å; L358-F500 HydrophobicContact CD1-CG 4.09Å; L358-F500 HydrophobicContact CD1-CZ 3.42Å; L358-F500 VanDerWaalsContact CD1-CZ 3.42Å; L358-F500 HydrophobicContact CD2-CE1 3.92Å; L358-F500 HydrophobicContact CD2-CZ 3.84Å; L358-F500 HydrophobicContact CG-CE1 4.2Å; L358-F500 HydrophobicContact CG-CZ 4.17Å; V409-F500 CarbonylContact C-O 3.58Å; V409-F500 VanDerWaalsContact CA-O 3.25Å; V409-F500 WeakPolarHBondContact CA-O 3.31Å; V409-F500 WeakPolarHBondContact CG1-O 3.18Å; L410-F500 HydrophobicContact CB-CB 4.11Å; L410-F500 PolarHBondContact N-O 2.89Å; L410-F500 PolarHBondContact O-N 3.18Å; R498-F500 HydrophobicContact CB-CD2 4.19Å; R498-F500 HydrophobicContact CB-CE2 3.7Å
501S86.9Confident87.5Confident5 Ų534.3 Ų34.34%0.03517%0.169CC..EExtended strand (participates in β ladder)trans-129.3142.1177.462.50000110.9W356 N357 K503 A505W356-S501 VanDerWaalsContact CE3-C 3.49Å; N357-S501 PolarHBondContact N-O 2.94Å; N357-S501 PolarHBondContact O-N 3.38Å; S501-K503 CarbonylContact C-O 3.55Å; S501-K503 WeakPolarHBondContact CB-O 3.28Å; S501-K503 PolarHBondContact OG-O 3.03Å; S501-A505 VanDerWaalsContact OG-CB 3.25Å; S501-A505 WeakPolarHBondContact OG-CB 3.37Å; S501-A505 PolarHBondContact OG-N 3.44Å
502E79Confident86.1Confident31 Ų3136.4 Ų36.415%0.14518%0.18CC..SBendtrans-64.1-54.5-179.9-172.7175.1132.600110.2H354 W356 N357 T408H354-E502 VanDerWaalsContact NE2-CG 3.32Å; H354-E502 WeakPolarHBondContact NE2-CG 3.49Å; H354-E502 IonicContact NE2-OE1 2.83Å; W356-E502 HydrophobicContact CZ3-CB 4.12Å; N357-E502 PolarHBondContact ND2-O 2.76Å; T408-E502 PolarHBondContact O-N 3.13Å
503K82.9Confident85.2Confident34 Ų3435.7 Ų35.715%0.14818%0.184CC..SBendtrans-89.1165.1168.4-57-61.7172.4-171.60111.8N357 E393 E396 S501 A505N357-K503 VanDerWaalsContact ND2-C 3.32Å; N357-K503 PolarHBondContact ND2-O 3.17Å; E393-K503 HydrophobicContact CB-CB 3.63Å; E393-K503 HydrophobicContact CB-CG 3.94Å; E396-K503 IonicContact OE1-NZ 2.82Å; E396-K503 PolarHBondContact OE1-NZ 2.99Å; E396-K503 IonicContact OE2-NZ 3.24Å; E396-K503 PolarHBondContact OE2-NZ 3.16Å; S501-K503 CarbonylContact C-O 3.55Å; S501-K503 WeakPolarHBondContact CB-O 3.28Å; S501-K503 PolarHBondContact OG-O 3.03Å; K503-A505 PolarHBondContact O-N 2.99Å
504K83.6Confident84.6Confident157 Ų15738.9 Ų38.968%0.68320%0.202SC*.  trans-68110.1-174.4-174.1177.4-179.8178.60110.3N357N357-K504 PolarHBondContact ND2-N 2.73Å
505A85.1Confident84Confident11 Ų1138.3 Ų38.39%0.09121%0.206CC..  trans-98.2137.2173.300000110.7I389 Y390 L391 S501 K503I389-A505 HydrophobicContact CG2-CB 4.28Å; Y390-A505 WeakPolarHBondContact O-CA 3.4Å; L391-A505 HydrophobicContact CD2-CB 3.68Å; S501-A505 VanDerWaalsContact OG-CB 3.25Å; S501-A505 WeakPolarHBondContact OG-CB 3.37Å; S501-A505 PolarHBondContact OG-N 3.44Å; K503-A505 PolarHBondContact O-N 2.99Å
506K87.9Confident83.3Confident124 Ų12438.4 Ų38.454%0.53921%0.207SC..EExtended strand (participates in β ladder)trans-85.2135.1166.4-174.2-177.1-175.9-172.30107.9Y390Y390-K506 HydrophobicContact CD2-CB 4.11Å; Y390-K506 HydrophobicContact CD2-CD 4.33Å; Y390-K506 HydrophobicContact CD2-CG 4.21Å; Y390-K506 WeakPolarHBondContact CD2-O 3.42Å; Y390-K506 HydrophobicContact CG-CB 4.4Å; Y390-K506 PolarHBondContact N-O 2.96Å; Y390-K506 PolarHBondContact O-N 2.73Å
507A86.5Confident82.4Confident12 Ų1242 Ų4210%0.09924%0.237CC..EExtended strand (participates in β ladder)trans-134.9145.8171.700000111.1V359 F361 K388 I389V359-A507 HydrophobicContact CB-CB 4.28Å; V359-A507 HydrophobicContact CG1-CB 4.1Å; V359-A507 HydrophobicContact CG2-CB 4.4Å; F361-A507 HydrophobicContact CE2-CB 3.63Å; F361-A507 VanDerWaalsContact CZ-C 3.48Å; F361-A507 HydrophobicContact CZ-CB 3.58Å; K388-A507 CarbonylContact O-C 3.58Å; K388-A507 WeakPolarHBondContact O-CA 3.31Å; K388-A507 WeakPolarHBondContact O-CB 3.41Å; I389-A507 HydrophobicContact CG1-CB 4.19Å
508L88.1Confident81.5Confident68 Ų6842.8 Ų42.836%0.35624%0.241SC..EExtended strand (participates in β ladder)trans-143.7148.2-175.3-60171.4000110.9F387 K388 Y390F387-L508 CarbonylContact C-O 3.57Å; F387-L508 WeakPolarHBondContact CA-O 3.45Å; K388-L508 PolarHBondContact N-O 3.14Å; K388-L508 PolarHBondContact O-N 2.94Å; Y390-L508 HydrophobicContact CE2-CD1 3.94Å; Y390-L508 HydrophobicContact CE2-CG 4.39Å
509E84.9Confident80.4Confident42 Ų4246 Ų4620%0.19626%0.256CS..EExtended strand (participates in β ladder)trans-78.1129166.1-172.3179.517300110F387 N639F387-E509 HydrophobicContact CD1-CB 3.93Å; F387-E509 HydrophobicContact CD1-CG 4.04Å; F387-E509 HydrophobicContact CE1-CB 3.88Å; F387-E509 HydrophobicContact CE1-CG 3.69Å; F387-E509 HydrophobicContact CZ-CG 4.41Å; E509-N639 PolarHBondContact OE1-ND2 3.28Å
510I79.4Confident79.4Confident8 Ų852.4 Ų52.44%0.04129%0.286CS..THydrogen-bonded Turntrans-75.5139.1177.3-63.1-162.3000110.2Q386 K388 A444 H445 L481Q386-I510 HydrophobicContact CB-CB 4.02Å; Q386-I510 PolarHBondContact O-N 3.31Å; K388-I510 HydrophobicContact CB-CD1 4.04Å; K388-I510 HydrophobicContact CB-CG1 3.88Å; K388-I510 HydrophobicContact CD-CD1 4.27Å; A444-I510 VanDerWaalsContact C-CG2 3.41Å; A444-I510 WeakPolarHBondContact O-CG2 3.41Å; H445-I510 HydrophobicContact CB-CG2 4.44Å; L481-I510 HydrophobicContact CD1-CD1 3.34Å; L481-I510 HydrophobicContact CD1-CG1 4.22Å
511G67.4Low78.3Confident9 Ų953.1 Ų53.19%0.09329%0.291CS..THydrogen-bonded Turntrans77.122.5-179.800000113.3E443 A513 N638E443-G511 PolarHBondContact O-N 3.16Å; G511-A513 PolarHBondContact O-N 3.44Å; G511-N638 WeakPolarHBondContact O-CA 2.9Å; G511-N638 WeakPolarHBondContact O-CB 3.41Å
512H64.9Low77Confident121 Ų12158.5 Ų58.556%0.5632%0.315SS*.  trans-67.1-23.7173.1-172-89.7000112.9V514H512-V514 PolarHBondContact O-N 2.78Å
513A71.1Confident75.9Confident58 Ų5859.6 Ų59.648%0.47933%0.325SS..  trans-62.7133.8-179.300000111.9G511G511-A513 PolarHBondContact O-N 3.44Å
514V80.6Confident74.5Confident74 Ų7463 Ų6345%0.44835%0.352SS..  trans-117.1114.7173.3178.90000107.9H512 I636 L637 N638 F672H512-V514 PolarHBondContact O-N 2.78Å; V514-I636 CarbonylContact C-O 3.57Å; V514-I636 VanDerWaalsContact CA-O 3.29Å; V514-I636 WeakPolarHBondContact CA-O 3.23Å; V514-L637 HydrophobicContact CG1-CD2 4.13Å; V514-N638 HydrophobicContact CG2-CB 4.14Å; V514-F672 HydrophobicContact CG1-CE1 4.07Å; V514-F672 HydrophobicContact CG1-CZ 3.61Å
515A80.8Confident73.2Confident47 Ų4760 Ų6039%0.38834%0.343SS..EExtended strand (participates in β ladder)trans-143.3142.417900000109.9I636A515-I636 HydrophobicContact CB-CB 4.44Å; A515-I636 PolarHBondContact N-O 2.73Å; A515-I636 PolarHBondContact O-N 3.21Å; A515-I636 VanDerWaalsContact O-O 3.11Å
516G79.3Confident71.8Confident2 Ų261.6 Ų61.62%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-132.5111.9176.700000110.3P518 R676G516-P518 WeakPolarHBondContact O-CD 3.26Å; G516-R676 VanDerWaalsContact O-CZ 3.3Å; G516-R676 PolarHBondContact O-NH1 3.34Å; G516-R676 PolarHBondContact O-NH2 3.36Å
517A76.4Confident70.4Confident76 Ų7661.8 Ų61.863%0.62836%0.356SS*.  trans-116.669.116700000107.9G634A517-G634 PolarHBondContact N-O 3.14Å
518P75.8Confident68.7Low15 Ų1572.1 Ų72.110%0.09739%0.393CS..  trans-61.9153-178.926.1-31.8000110.2G516 E520 F635 E669G516-P518 WeakPolarHBondContact O-CD 3.26Å; P518-E520 PolarHBondContact O-N 3.31Å; P518-F635 HydrophobicContact CB-CE1 4.26Å; P518-F635 HydrophobicContact CB-CE2 4.2Å; P518-F635 HydrophobicContact CB-CZ 3.7Å; P518-F635 HydrophobicContact CG-CE1 4.36Å; P518-F635 HydrophobicContact CG-CZ 4.2Å; P518-E669 HydrophobicContact CB-CG 4.26Å; P518-E669 HydrophobicContact CG-CG 3.87Å
519H68.9Low66.9Low68 Ų6876.6 Ų76.632%0.31541%0.412SS..  trans-65.9124.3175.2-176.765.6000111.1P521 K602 K605H519-P521 WeakPolarHBondContact O-CD 3.23Å; H519-K602 PolarHBondContact O-NZ 3.12Å; H519-K605 HydrophobicContact CB-CD 3.75Å; H519-K605 WeakPolarHBondContact CD2-CD 3.28Å; H519-K605 PolarHBondContact CD2-NZ 3.45Å; H519-K605 PolarHBondContact CE1-NZ 3.34Å; H519-K605 VanDerWaalsContact CE1-NZ 3.32Å; H519-K605 VanDerWaalsContact CG-CD 3.47Å; H519-K605 PolarHBondContact ND1-NZ 2.91Å; H519-K605 PolarHBondContact NE2-NZ 2.91Å
520E69.1Low65.8Low137 Ų13775.2 Ų75.264%0.6441%0.406SS*.  trans-104.3100.5169.2-69-172.816600108.1P518P518-E520 PolarHBondContact O-N 3.31Å
521P66Low65Low17 Ų1781.9 Ų81.911%0.1144%0.437CS..  trans-72.9145.4175.427.6-30000110.6H519 L601 K602H519-P521 WeakPolarHBondContact O-CD 3.23Å; P521-L601 HydrophobicContact CB-CB 3.66Å; P521-L601 HydrophobicContact CB-CD1 3.94Å; P521-L601 HydrophobicContact CB-CG 4.43Å; P521-L601 HydrophobicContact CG-CB 3.75Å; P521-K602 HydrophobicContact CG-CG 3.71Å
522H58.3Low64.9Low118 Ų11887.1 Ų87.155%0.54646%0.463SS..  trans-91.9140.9173.5-156.6-81000109.2C524 D525 L601H522-C524 PolarHBondContact O-N 3.38Å; H522-D525 WeakPolarHBondContact CB-OD2 2.79Å; H522-D525 PolarHBondContact N-OD2 2.97Å; H522-D525 WeakPolarHBondContact O-CB 3.32Å; H522-D525 PolarHBondContact O-N 3.45Å; H522-L601 WeakPolarHBondContact O-CD1 3.41Å
523P56.4Low65Low53 Ų5381.6 Ų81.634%0.34444%0.437SS..THydrogen-bonded Turntrans-57.5-11.7178.9-26.533.5000115.6D525P523-D525 VanDerWaalsContact C-N 3.33Å
524C54.3Low65Low105 Ų10581.1 Ų81.171%0.70942%0.423SS*.THydrogen-bonded Turntrans-83.8-7.5177.1-63.40000113.4H522 M526H522-C524 PolarHBondContact O-N 3.38Å; C524-M526 VanDerWaalsContact C-N 3.28Å; C524-M526 PolarHBondContact O-N 3.07Å
525D56.8Low64.5Low94 Ų9480.7 Ų80.750%0.50342%0.423SS..  trans-88.612.4-174.2-57.1-29.8000113H522 P523 L601H522-D525 WeakPolarHBondContact CB-OD2 2.79Å; H522-D525 PolarHBondContact N-OD2 2.97Å; H522-D525 WeakPolarHBondContact O-CB 3.32Å; H522-D525 PolarHBondContact O-N 3.45Å; P523-D525 VanDerWaalsContact C-N 3.33Å; D525-L601 HydrophobicContact CB-CD1 4.37Å
526M55.4Low63.9Low46 Ų4680.3 Ų80.323%0.22741%0.414CS..  trans-78.2127.2-177.7-70.2-74.3-47.200112.3C524 D530 W534 L601C524-M526 VanDerWaalsContact C-N 3.28Å; C524-M526 PolarHBondContact O-N 3.07Å; M526-D530 HydrophobicContact CE-CB 3.34Å; M526-D530 VanDerWaalsContact CE-OD2 3.28Å; M526-D530 WeakPolarHBondContact CE-OD2 3.3Å; M526-W534 VanDerWaalsContact CE-NE1 3.33Å; M526-L601 HydrophobicContact CG-CD1 4.14Å; M526-L601 HydrophobicContact CG-CD2 4.3Å; M526-L601 HydrophobicContact CG-CG 4.39Å; M526-L601 HydrophobicContact SD-CD1 3.92Å; M526-L601 HydrophobicContact SD-CD2 3.51Å; M526-L601 VanDerWaalsContact SD-CD2 3.51Å; M526-L601 HydrophobicContact SD-CG 3.54Å; M526-L601 VanDerWaalsContact SD-CG 3.54Å
527D57.4Low63.4Low127 Ų12780.9 Ų80.968%0.67942%0.416SS*.  trans-84.1160.6173.6-78.9-37.9000112.5E529 D530D527-E529 PolarHBondContact O-N 3.09Å; D527-E529 VanDerWaalsContact O-N 3.16Å; D527-D530 PolarHBondContact O-N 3.02Å
528R51.5Low63.1Low230 Ų23084.7 Ų84.787%0.86842%0.421SS*.G310 helixtrans-64.9-14.2179.8-71.8-174.8-179.1-174.3-0.5114.4D530R528-D530 VanDerWaalsContact C-N 3.27Å; R528-D530 PolarHBondContact O-N 3.34Å
529E50.8Low63Low161 Ų16190.8 Ų90.875%0.75245%0.448SS*.G310 helixtrans-80.6-0.8-177.9-66.3-173.8167.200114D527 R563D527-E529 PolarHBondContact O-N 3.09Å; D527-E529 VanDerWaalsContact O-N 3.16Å; E529-R563 PolarHBondContact O-NH2 3.15Å
530D61.9Low63.1Low14 Ų1489.4 Ų89.48%0.07544%0.442CS..G310 helixtrans-99.86.2179.8-70.3-43.3000114.3M526 D527 R528 D532 F533 W534 R563 W600M526-D530 HydrophobicContact CE-CB 3.34Å; M526-D530 VanDerWaalsContact CE-OD2 3.28Å; M526-D530 WeakPolarHBondContact CE-OD2 3.3Å; D527-D530 PolarHBondContact O-N 3.02Å; R528-D530 VanDerWaalsContact C-N 3.27Å; R528-D530 PolarHBondContact O-N 3.34Å; D530-D532 PolarHBondContact O-N 2.8Å; D530-F533 PolarHBondContact O-N 3.26Å; D530-F533 VanDerWaalsContact O-N 3.12Å; D530-W534 PolarHBondContact O-N 3.02Å; D530-R563 IonicContact OD1-CZ 2.67Å; D530-R563 IonicContact OD1-NH1 2.77Å; D530-R563 PolarHBondContact OD1-NH1 2.78Å; D530-R563 VanDerWaalsContact OD1-NH1 3.13Å; D530-R563 IonicContact OD1-NH2 3.74Å; D530-R563 PolarHBondContact OD1-NH2 3.02Å; D530-W600 PolarHBondContact OD1-NE1 2.76Å
531E61.9Low63Low147 Ų14783.5 Ų83.569%0.68742%0.417SS*.Hα-helixtrans-57.1-33.4176.1-78.7-169.617500112.7F533 W534 S535E531-F533 VanDerWaalsContact C-N 3.34Å; E531-F533 PolarHBondContact O-N 3.4Å; E531-W534 PolarHBondContact O-N 3.27Å; E531-S535 PolarHBondContact O-N 2.95Å
532D64.3Low63Low119 Ų11984.7 Ų84.764%0.63643%0.431SS*.Hα-helixtrans-63.1-37.8177.4-68.6-19.1000112.2D530 S535 L536D530-D532 PolarHBondContact O-N 2.8Å; D532-S535 PolarHBondContact O-OG 2.82Å; D532-L536 PolarHBondContact O-N 2.76Å
533F67.8Low63.1Low6 Ų689 Ų893%0.02645%0.449CS..Hα-helixtrans-67.4-38.6175.7177.3-100000111.4D530 E531 L536 F537 L556 V559 L596 W600D530-F533 PolarHBondContact O-N 3.26Å; D530-F533 VanDerWaalsContact O-N 3.12Å; E531-F533 VanDerWaalsContact C-N 3.34Å; E531-F533 PolarHBondContact O-N 3.4Å; F533-L536 PolarHBondContact O-N 2.93Å; F533-F537 WeakPolarHBondContact O-CB 3.28Å; F533-F537 PolarHBondContact O-N 2.91Å; F533-L556 HydrophobicContact CE2-CD2 3.96Å; F533-L556 HydrophobicContact CZ-CD2 4.41Å; F533-V559 HydrophobicContact CB-CG1 4.5Å; F533-V559 HydrophobicContact CD2-CB 4.25Å; F533-V559 HydrophobicContact CD2-CG1 4.08Å; F533-V559 HydrophobicContact CD2-CG2 3.72Å; F533-V559 HydrophobicContact CE2-CG2 4.4Å; F533-L596 HydrophobicContact CE1-CD2 3.97Å; F533-L596 HydrophobicContact CE1-CG 4.11Å; F533-L596 HydrophobicContact CZ-CD1 4.32Å; F533-L596 HydrophobicContact CZ-CD2 4.04Å; F533-L596 HydrophobicContact CZ-CG 4.16Å; F533-W600 HydrophobicContact CB-CZ2 4.17Å; F533-W600 HydrophobicContact CD1-CB 4.33Å; F533-W600 AromaticContact CD1-CD2 3.9Å; F533-W600 HydrophobicContact CD1-CD2 3.9Å; F533-W600 HydrophobicContact CD1-CE3 4.39Å; F533-W600 AromaticContact CD1-CG 3.85Å; F533-W600 HydrophobicContact CD1-CG 3.85Å; F533-W600 AromaticContact CD2-CD2 3.77Å; F533-W600 HydrophobicContact CD2-CD2 3.77Å; F533-W600 AromaticContact CD2-CE2 3.94Å; F533-W600 AromaticContact CD2-CE3 3.59Å; F533-W600 HydrophobicContact CD2-CE3 3.59Å; F533-W600 AromaticContact CD2-CH2 3.82Å; F533-W600 HydrophobicContact CD2-CH2 3.82Å; F533-W600 AromaticContact CD2-CZ2 3.96Å; F533-W600 HydrophobicContact CD2-CZ2 3.96Å; F533-W600 AromaticContact CD2-CZ3 3.63Å; F533-W600 HydrophobicContact CD2-CZ3 3.63Å; F533-W600 HydrophobicContact CE1-CB 3.87Å; F533-W600 AromaticContact CE1-CD2 3.97Å; F533-W600 HydrophobicContact CE1-CD2 3.97Å; F533-W600 HydrophobicContact CE1-CE3 4.17Å; F533-W600 AromaticContact CE1-CG 3.85Å; F533-W600 HydrophobicContact CE1-CG 3.85Å; F533-W600 AromaticContact CE2-CD2 3.88Å; F533-W600 HydrophobicContact CE2-CD2 3.88Å; F533-W600 AromaticContact CE2-CE3 3.36Å; F533-W600 HydrophobicContact CE2-CE3 3.36Å; F533-W600 HydrophobicContact CE2-CH2 4.27Å; F533-W600 AromaticContact CE2-CZ3 3.6Å; F533-W600 HydrophobicContact CE2-CZ3 3.6Å; F533-W600 AromaticContact CG-CD2 3.81Å; F533-W600 HydrophobicContact CG-CD2 3.81Å; F533-W600 AromaticContact CG-CE2 3.8Å; F533-W600 HydrophobicContact CG-CE3 4.13Å; F533-W600 HydrophobicContact CG-CG 4.23Å; F533-W600 HydrophobicContact CG-CH2 4.44Å; F533-W600 HydrophobicContact CG-CZ2 4.12Å; F533-W600 HydrophobicContact CG-CZ3 4.44Å; F533-W600 HydrophobicContact CZ-CB 4.26Å; F533-W600 AromaticContact CZ-CD2 3.96Å; F533-W600 HydrophobicContact CZ-CD2 3.96Å; F533-W600 AromaticContact CZ-CE3 3.67Å; F533-W600 HydrophobicContact CZ-CE3 3.67Å; F533-W600 HydrophobicContact CZ-CG 4.23Å; F533-W600 HydrophobicContact CZ-CZ3 4.37Å
534W71.3Confident63.5Low47 Ų4792.8 Ų92.818%0.17847%0.466CS..Hα-helixtrans-72.2-34.9-179.9-71.6107.8000113.4M526 D530 E531 L536 F537 E538 L596 K597M526-W534 VanDerWaalsContact CE-NE1 3.33Å; D530-W534 PolarHBondContact O-N 3.02Å; E531-W534 PolarHBondContact O-N 3.27Å; W534-L536 VanDerWaalsContact C-N 3.34Å; W534-F537 HydrophobicContact CE3-CB 4.02Å; W534-F537 AromaticContact CE3-CD1 3.67Å; W534-F537 HydrophobicContact CE3-CD1 3.67Å; W534-F537 HydrophobicContact CE3-CE1 4.4Å; W534-F537 AromaticContact CE3-CG 3.97Å; W534-F537 HydrophobicContact CE3-CG 3.97Å; W534-F537 HydrophobicContact CZ3-CB 4.31Å; W534-F537 AromaticContact CZ3-CD1 3.69Å; W534-F537 HydrophobicContact CZ3-CD1 3.69Å; W534-F537 HydrophobicContact CZ3-CD2 4.48Å; W534-F537 HydrophobicContact CZ3-CE1 4.07Å; W534-F537 AromaticContact CZ3-CG 3.89Å; W534-F537 HydrophobicContact CZ3-CG 3.89Å; W534-F537 WeakPolarHBondContact O-CB 3.35Å; W534-F537 PolarHBondContact O-N 2.8Å; W534-E538 PolarHBondContact O-N 3.34Å; W534-L596 HydrophobicContact CH2-CB 4.22Å; W534-L596 HydrophobicContact CH2-CD2 4.15Å; W534-L596 HydrophobicContact CH2-CG 4.22Å; W534-L596 HydrophobicContact CZ3-CD2 4.1Å; W534-K597 HydrophobicContact CH2-CB 4.16Å; W534-K597 HydrophobicContact CH2-CD 4.31Å; W534-K597 HydrophobicContact CH2-CG 3.26Å; W534-K597 HydrophobicContact CZ2-CB 4.01Å; W534-K597 HydrophobicContact CZ2-CD 4.18Å; W534-K597 HydrophobicContact CZ2-CG 3.09Å; W534-K597 HydrophobicContact CZ3-CG 4.29Å
535S69.9Low64.4Low66 Ų6691.1 Ų91.146%0.46246%0.456SS..Hα-helixtrans-63.8-41.3172.966.60000111.9E531 D532 E538 E539E531-S535 PolarHBondContact O-N 2.95Å; D532-S535 PolarHBondContact O-OG 2.82Å; S535-E538 PolarHBondContact O-N 3.47Å; S535-E539 PolarHBondContact O-N 3.36Å; S535-E539 VanDerWaalsContact O-N 3.15Å
536L68.1Low65.5Low38 Ų3890.3 Ų90.320%0.19945%0.449CS..Hα-helixtrans-68.7-35.9174.1-71.2165000111.6D532 F533 W534 E539 F540 V559D532-L536 PolarHBondContact O-N 2.76Å; F533-L536 PolarHBondContact O-N 2.93Å; W534-L536 VanDerWaalsContact C-N 3.34Å; L536-E539 PolarHBondContact O-N 2.93Å; L536-F540 HydrophobicContact CD2-CE2 4.27Å; L536-F540 WeakPolarHBondContact O-CD2 3.37Å; L536-F540 PolarHBondContact O-N 3.11Å; L536-V559 HydrophobicContact CB-CG2 4.44Å; L536-V559 HydrophobicContact CD1-CG2 3.45Å; L536-V559 VanDerWaalsContact CD1-CG2 3.45Å
537F68.3Low66.7Low14 Ų1488.2 Ų88.26%0.06144%0.439CS..Hα-helixtrans-58.6-49172171.2-104.9000111.9F533 W534 E539 F540 A541 M547 P593 L596F533-F537 WeakPolarHBondContact O-CB 3.28Å; F533-F537 PolarHBondContact O-N 2.91Å; W534-F537 HydrophobicContact CE3-CB 4.02Å; W534-F537 AromaticContact CE3-CD1 3.67Å; W534-F537 HydrophobicContact CE3-CD1 3.67Å; W534-F537 HydrophobicContact CE3-CE1 4.4Å; W534-F537 AromaticContact CE3-CG 3.97Å; W534-F537 HydrophobicContact CE3-CG 3.97Å; W534-F537 HydrophobicContact CZ3-CB 4.31Å; W534-F537 AromaticContact CZ3-CD1 3.69Å; W534-F537 HydrophobicContact CZ3-CD1 3.69Å; W534-F537 HydrophobicContact CZ3-CD2 4.48Å; W534-F537 HydrophobicContact CZ3-CE1 4.07Å; W534-F537 AromaticContact CZ3-CG 3.89Å; W534-F537 HydrophobicContact CZ3-CG 3.89Å; W534-F537 WeakPolarHBondContact O-CB 3.35Å; W534-F537 PolarHBondContact O-N 2.8Å; F537-E539 PolarHBondContact O-N 3.33Å; F537-F540 PolarHBondContact O-N 3.05Å; F537-A541 HydrophobicContact CD2-CB 4.34Å; F537-A541 HydrophobicContact CE1-CB 4.27Å; F537-A541 HydrophobicContact CE2-CB 4.04Å; F537-A541 HydrophobicContact CZ-CB 4.01Å; F537-A541 WeakPolarHBondContact O-CB 3.2Å; F537-A541 PolarHBondContact O-N 3.16Å; F537-M547 HydrophobicContact CD2-CG 4Å; F537-M547 HydrophobicContact CD2-SD 3.3Å; F537-M547 WeakPolarHBondContact CD2-SD 3.41Å; F537-M547 HydrophobicContact CE2-CG 3.59Å; F537-M547 HydrophobicContact CE2-SD 3.45Å; F537-M547 WeakPolarHBondContact CE2-SD 3.46Å; F537-P593 HydrophobicContact CE1-CB 4.18Å; F537-P593 HydrophobicContact CZ-CB 4.24Å; F537-L596 HydrophobicContact CB-CD2 4.33Å; F537-L596 HydrophobicContact CD2-CD2 2.95Å; F537-L596 HydrophobicContact CD2-CG 4.43Å; F537-L596 HydrophobicContact CE2-CD2 3.18Å; F537-L596 HydrophobicContact CE2-CG 4.44Å; F537-L596 HydrophobicContact CG-CD2 3.75Å; F537-L596 HydrophobicContact CZ-CD2 4.14Å
538E71.4Confident68Low156 Ų15684 Ų8473%0.72942%0.419SS*.Hα-helixtrans-63.1-29.3177.6-73.7-173.6171.200112.5W534 S535W534-E538 PolarHBondContact O-N 3.34Å; S535-E538 PolarHBondContact O-N 3.47Å
539E72.9Confident69.6Low143 Ų14373.8 Ų73.867%0.66838%0.383SS*.Hα-helixtrans-71.9-39.6175.1-172.5175.7-179.800112.7S535 L536 F537S535-E539 PolarHBondContact O-N 3.36Å; S535-E539 VanDerWaalsContact O-N 3.15Å; L536-E539 PolarHBondContact O-N 2.93Å; F537-E539 PolarHBondContact O-N 3.33Å
540F70.4Confident71.3Confident39 Ų3971 Ų7117%0.17137%0.374CS..Hα-helixtrans-90.9-25.8-176.8-74.3-67.4000114.4L536 F537 G542 M547 Q551 R554 A555 E558L536-F540 HydrophobicContact CD2-CE2 4.27Å; L536-F540 WeakPolarHBondContact O-CD2 3.37Å; L536-F540 PolarHBondContact O-N 3.11Å; F537-F540 PolarHBondContact O-N 3.05Å; F540-G542 PolarHBondContact O-N 3.44Å; F540-M547 HydrophobicContact CB-CE 4.24Å; F540-Q551 PolarHBondContact O-NE2 2.9Å; F540-R554 HydrophobicContact CE1-CB 4.26Å; F540-A555 HydrophobicContact CD2-CB 3.86Å; F540-A555 HydrophobicContact CE2-CB 4.44Å; F540-A555 HydrophobicContact CG-CB 4.4Å; F540-E558 WeakPolarHBondContact CE2-OE2 3.42Å; F540-E558 VanDerWaalsContact CZ-OE2 3.29Å; F540-E558 WeakPolarHBondContact CZ-OE2 3.42Å
541A67.7Low72.3Confident14 Ų1473 Ų7312%0.11638%0.383CS..SBendtrans-70.1122.817300000108.8F537 M547F537-A541 HydrophobicContact CD2-CB 4.34Å; F537-A541 HydrophobicContact CE1-CB 4.27Å; F537-A541 HydrophobicContact CE2-CB 4.04Å; F537-A541 HydrophobicContact CZ-CB 4.01Å; F537-A541 WeakPolarHBondContact O-CB 3.2Å; F537-A541 PolarHBondContact O-N 3.16Å; A541-M547 HydrophobicContact CB-CG 4.4Å
542G65.6Low73.4Confident41 Ų4166 Ų6642%0.42335%0.35SS..  trans-69.8-165.9-179.400000112.6F540 D544 S545F540-G542 PolarHBondContact O-N 3.44Å; G542-D544 PolarHBondContact O-N 3.22Å; G542-S545 PolarHBondContact O-N 3.1Å; G542-S545 VanDerWaalsContact O-N 3.14Å
543K60.3Low74.5Confident209 Ų20963 Ų6391%0.90933%0.331SS*.THydrogen-bonded Turntrans-57.8-18.3176-75.3-176.1175.7-179.90114.6
544D65.6Low75.2Confident132 Ų13270.8 Ų70.871%0.70636%0.361SS*.THydrogen-bonded Turntrans-94.90.2-174.1-50.6-34.4000112.2G542 E546G542-D544 PolarHBondContact O-N 3.22Å; D544-E546 PolarHBondContact O-N 2.86Å
545S73.5Confident75.7Confident71 Ų7168.7 Ų68.750%0.49735%0.353SS..SBendtrans55.519.7-178.4-62.60000115.1G542G542-S545 PolarHBondContact O-N 3.1Å; G542-S545 VanDerWaalsContact O-N 3.14Å
546E80.5Confident76.3Confident77 Ų7765.6 Ų65.636%0.3633%0.331SS..  trans-115.6147.4178.7-75.7179.7172.200111.2D544 N588 T590 L591D544-E546 PolarHBondContact O-N 2.86Å; E546-N588 PolarHBondContact OE1-ND2 2.99Å; E546-N588 VanDerWaalsContact OE1-ND2 3.11Å; E546-T590 PolarHBondContact OE2-OG1 3.41Å; E546-L591 WeakPolarHBondContact CA-O 3.25Å
547M80.6Confident76.9Confident2 Ų264.3 Ų64.31%0.0133%0.325CS..BIsolated β-bridgetrans-113123.9179.7-78.9-169.987.600113.3F537 F540 A541 Q551 L552 A555 T590 L591 L596F537-M547 HydrophobicContact CD2-CG 4Å; F537-M547 HydrophobicContact CD2-SD 3.3Å; F537-M547 WeakPolarHBondContact CD2-SD 3.41Å; F537-M547 HydrophobicContact CE2-CG 3.59Å; F537-M547 HydrophobicContact CE2-SD 3.45Å; F537-M547 WeakPolarHBondContact CE2-SD 3.46Å; F540-M547 HydrophobicContact CB-CE 4.24Å; A541-M547 HydrophobicContact CB-CG 4.4Å; M547-Q551 HydrophobicContact CE-CB 3.76Å; M547-Q551 WeakPolarHBondContact CE-O 3.41Å; M547-L552 VanDerWaalsContact CE-CA 3.49Å; M547-L552 HydrophobicContact CE-CB 4.32Å; M547-A555 HydrophobicContact CE-CB 3.83Å; M547-T590 VanDerWaalsContact O-CA 3.27Å; M547-T590 WeakPolarHBondContact O-CA 3.48Å; M547-T590 WeakPolarHBondContact O-CB 3.5Å; M547-L591 PolarHBondContact N-O 2.65Å; M547-L591 PolarHBondContact O-N 3.37Å; M547-L591 VanDerWaalsContact O-N 3.08Å; M547-L596 HydrophobicContact SD-CD2 3.82Å
548S84.9Confident77.4Confident39 Ų3968 Ų6827%0.27334%0.342SS..  trans-78.7162.5167.571.50000112.4N550 Q551 L552S548-N550 PolarHBondContact O-N 3.3Å; S548-N550 VanDerWaalsContact O-N 3.11Å; S548-Q551 PolarHBondContact O-N 2.95Å; S548-Q551 PolarHBondContact OG-OE1 2.75Å; S548-L552 PolarHBondContact O-N 2.67Å
549A85.1Confident77.7Confident14 Ų1461 Ų6112%0.11631%0.31CS..Hα-helixtrans-53-35.8178.700000114.4K553 I573 C576 R577 I580A549-K553 PolarHBondContact O-N 2.92Å; A549-I573 HydrophobicContact CB-CD1 3.72Å; A549-I573 WeakPolarHBondContact O-CD1 3.5Å; A549-C576 HydrophobicContact CB-CB 4.43Å; A549-R577 HydrophobicContact CB-CG 3.76Å; A549-I580 VanDerWaalsContact CA-CD1 3.43Å; A549-I580 HydrophobicContact CB-CD1 3.67Å; A549-I580 VanDerWaalsContact N-CD1 3.34Å
550N84.8Confident77.8Confident103 Ų10354.3 Ų54.355%0.55128%0.279SS*.Hα-helixtrans-72.1-36.8179.2-73.1-49.1000112.3S548 R554 I573S548-N550 PolarHBondContact O-N 3.3Å; S548-N550 VanDerWaalsContact O-N 3.11Å; N550-R554 PolarHBondContact O-N 2.89Å; N550-I573 VanDerWaalsContact OD1-CD1 3.25Å; N550-I573 WeakPolarHBondContact OD1-CD1 3.45Å
551Q84.6Confident77.9Confident56 Ų5654.7 Ų54.726%0.26229%0.286SS..Hα-helixtrans-69.5-42.7174.5-71.7158.9-60.100109.9F540 M547 S548 K553 R554 A555F540-Q551 PolarHBondContact O-NE2 2.9Å; M547-Q551 HydrophobicContact CE-CB 3.76Å; M547-Q551 WeakPolarHBondContact CE-O 3.41Å; S548-Q551 PolarHBondContact O-N 2.95Å; S548-Q551 PolarHBondContact OG-OE1 2.75Å; Q551-K553 VanDerWaalsContact C-N 3.33Å; Q551-K553 PolarHBondContact O-N 2.75Å; Q551-R554 PolarHBondContact O-N 2.83Å; Q551-A555 PolarHBondContact O-N 2.82Å
552L84.4Confident78Confident1 Ų159.7 Ų59.71%0.00532%0.315CS..Hα-helixtrans-59.5-43.9178.6-177.864000111.5M547 S548 R554 A555 L556 C576 M579 I580 L591 L596 L599M547-L552 VanDerWaalsContact CE-CA 3.49Å; M547-L552 HydrophobicContact CE-CB 4.32Å; S548-L552 PolarHBondContact O-N 2.67Å; L552-R554 VanDerWaalsContact C-N 3.35Å; L552-R554 PolarHBondContact O-N 3.35Å; L552-A555 PolarHBondContact O-N 3.24Å; L552-L556 HydrophobicContact CD1-CD1 3.71Å; L552-L556 HydrophobicContact CD1-CG 3.9Å; L552-L556 HydrophobicContact CD2-CD1 4.38Å; L552-L556 HydrophobicContact CG-CD1 3.73Å; L552-L556 HydrophobicContact CG-CG 4.29Å; L552-L556 WeakPolarHBondContact O-CB 3.17Å; L552-L556 WeakPolarHBondContact O-CG 3.41Å; L552-L556 PolarHBondContact O-N 2.77Å; L552-C576 HydrophobicContact CD2-CB 4.04Å; L552-C576 HydrophobicContact CG-CB 4.41Å; L552-M579 HydrophobicContact CD2-CB 4.4Å; L552-I580 HydrophobicContact CD2-CD1 4.33Å; L552-I580 HydrophobicContact CD2-CG1 4.01Å; L552-L591 HydrophobicContact CD2-CD1 4.01Å; L552-L596 HydrophobicContact CD1-CD1 3.7Å; L552-L599 HydrophobicContact CD1-CD2 4.19Å; L552-L599 HydrophobicContact CD2-CD2 3.98Å
553K86.2Confident78.2Confident55 Ų5563.3 Ų63.324%0.23932%0.316CS..Hα-helixtrans-55.9-48175.7-173.3-167.9170.7-161.90111.9A549 Q551 N557 D569 F571A549-K553 PolarHBondContact O-N 2.92Å; Q551-K553 VanDerWaalsContact C-N 3.33Å; Q551-K553 PolarHBondContact O-N 2.75Å; K553-N557 WeakPolarHBondContact O-CB 3.35Å; K553-N557 VanDerWaalsContact O-CG 3.25Å; K553-N557 PolarHBondContact O-N 2.85Å; K553-N557 VanDerWaalsContact O-N 3.07Å; K553-D569 IonicContact NZ-OD2 2.81Å; K553-D569 PolarHBondContact NZ-OD2 2.92Å; K553-F571 WeakPolarHBondContact CE-O 3.32Å
554R82.9Confident78.3Confident170 Ų17055.1 Ų55.164%0.64228%0.284SS*.Hα-helixtrans-65-50.4-177-71.3-179.2-178.5-176.40.2111.4F540 N550 Q551 L552 L556 N557 E558F540-R554 HydrophobicContact CE1-CB 4.26Å; N550-R554 PolarHBondContact O-N 2.89Å; Q551-R554 PolarHBondContact O-N 2.83Å; L552-R554 VanDerWaalsContact C-N 3.35Å; L552-R554 PolarHBondContact O-N 3.35Å; R554-L556 PolarHBondContact O-N 3.26Å; R554-N557 PolarHBondContact O-N 2.92Å; R554-E558 PolarHBondContact O-N 3.09Å
555A81.6Confident78Confident2 Ų251.8 Ų51.82%0.01728%0.281CS..Hα-helixtrans-59.3-48.8-179.600000111.8F540 M547 Q551 L552 N557 E558 V559F540-A555 HydrophobicContact CD2-CB 3.86Å; F540-A555 HydrophobicContact CE2-CB 4.44Å; F540-A555 HydrophobicContact CG-CB 4.4Å; M547-A555 HydrophobicContact CE-CB 3.83Å; Q551-A555 PolarHBondContact O-N 2.82Å; L552-A555 PolarHBondContact O-N 3.24Å; A555-N557 PolarHBondContact O-N 3.21Å; A555-E558 PolarHBondContact O-N 2.86Å; A555-V559 WeakPolarHBondContact O-CG2 3.33Å; A555-V559 PolarHBondContact O-N 3.37Å; A555-V559 VanDerWaalsContact O-N 3.07Å
556L82.1Confident77.2Confident1 Ų152 Ų521%0.00528%0.275CS..Hα-helixtrans-64.1-41.7-179.7-69.8175000112.5F533 L552 R554 L560 F571 M579 W600 I603F533-L556 HydrophobicContact CE2-CD2 3.96Å; F533-L556 HydrophobicContact CZ-CD2 4.41Å; L552-L556 HydrophobicContact CD1-CD1 3.71Å; L552-L556 HydrophobicContact CD1-CG 3.9Å; L552-L556 HydrophobicContact CD2-CD1 4.38Å; L552-L556 HydrophobicContact CG-CD1 3.73Å; L552-L556 HydrophobicContact CG-CG 4.29Å; L552-L556 WeakPolarHBondContact O-CB 3.17Å; L552-L556 WeakPolarHBondContact O-CG 3.41Å; L552-L556 PolarHBondContact O-N 2.77Å; R554-L556 PolarHBondContact O-N 3.26Å; L556-L560 VanDerWaalsContact O-CB 3.25Å; L556-L560 WeakPolarHBondContact O-CB 3.1Å; L556-L560 VanDerWaalsContact O-CG 3.3Å; L556-L560 WeakPolarHBondContact O-CG 3.41Å; L556-L560 PolarHBondContact O-N 3.25Å; L556-F571 HydrophobicContact CB-CD2 3.74Å; L556-F571 HydrophobicContact CB-CE2 4.08Å; L556-F571 HydrophobicContact CD1-CD2 3.88Å; L556-F571 HydrophobicContact CD1-CE2 3.99Å; L556-F571 HydrophobicContact CG-CD2 4.42Å; L556-F571 HydrophobicContact CG-CE2 4.49Å; L556-M579 HydrophobicContact CD1-SD 4.18Å; L556-W600 HydrophobicContact CD2-CE3 3.9Å; L556-W600 HydrophobicContact CD2-CZ3 3.73Å; L556-I603 HydrophobicContact CD1-CD1 4Å; L556-I603 HydrophobicContact CD2-CD1 3.65Å
557N82.3Confident75.6Confident12 Ų1258 Ų586%0.06430%0.3CS..Hα-helixtrans-67.5-38.5179.9-73.7-2.8000111.9K553 R554 A555 S561 D569 V570 F571K553-N557 WeakPolarHBondContact O-CB 3.35Å; K553-N557 VanDerWaalsContact O-CG 3.25Å; K553-N557 PolarHBondContact O-N 2.85Å; K553-N557 VanDerWaalsContact O-N 3.07Å; R554-N557 PolarHBondContact O-N 2.92Å; A555-N557 PolarHBondContact O-N 3.21Å; N557-S561 WeakPolarHBondContact O-CB 3.07Å; N557-S561 PolarHBondContact O-N 3.34Å; N557-S561 PolarHBondContact O-OG 3.07Å; N557-D569 PolarHBondContact ND2-OD1 3.2Å; N557-V570 PolarHBondContact OD1-N 2.96Å; N557-F571 PolarHBondContact OD1-N 3.5Å
558E78.6Confident74.3Confident90 Ų9066.1 Ų66.142%0.42134%0.336SS..Hα-helixtrans-65.7-46.4176.2-76.4-174.6178.400112F540 R554 A555 S561 T562F540-E558 WeakPolarHBondContact CE2-OE2 3.42Å; F540-E558 VanDerWaalsContact CZ-OE2 3.29Å; F540-E558 WeakPolarHBondContact CZ-OE2 3.42Å; R554-E558 PolarHBondContact O-N 3.09Å; A555-E558 PolarHBondContact O-N 2.86Å; E558-S561 PolarHBondContact O-OG 3.23Å; E558-T562 PolarHBondContact O-N 3.41Å; E558-T562 PolarHBondContact O-OG1 2.8Å
559V77.2Confident73.1Confident10 Ų1069.8 Ų69.86%0.06135%0.352CS..Hα-helixtrans-66.9-45.6-178.8-179.40000111F533 L536 A555 T562 R563 W600F533-V559 HydrophobicContact CB-CG1 4.5Å; F533-V559 HydrophobicContact CD2-CB 4.25Å; F533-V559 HydrophobicContact CD2-CG1 4.08Å; F533-V559 HydrophobicContact CD2-CG2 3.72Å; F533-V559 HydrophobicContact CE2-CG2 4.4Å; L536-V559 HydrophobicContact CB-CG2 4.44Å; L536-V559 HydrophobicContact CD1-CG2 3.45Å; L536-V559 VanDerWaalsContact CD1-CG2 3.45Å; A555-V559 WeakPolarHBondContact O-CG2 3.33Å; A555-V559 PolarHBondContact O-N 3.37Å; A555-V559 VanDerWaalsContact O-N 3.07Å; V559-T562 PolarHBondContact O-N 3.33Å; V559-R563 PolarHBondContact O-N 2.99Å; V559-W600 HydrophobicContact CB-CH2 4.24Å; V559-W600 HydrophobicContact CG1-CH2 3.45Å; V559-W600 VanDerWaalsContact CG1-CH2 3.45Å; V559-W600 HydrophobicContact CG1-CZ2 3.9Å; V559-W600 HydrophobicContact CG1-CZ3 4.34Å
560L75.1Confident72.3Confident3 Ų370 Ų702%0.01635%0.352CS..Hα-helixtrans-71.5-35.3-177.9-71.3174000112.5L556 T562 R563 T564 V570 F571 W600 L607 F658L556-L560 VanDerWaalsContact O-CB 3.25Å; L556-L560 WeakPolarHBondContact O-CB 3.1Å; L556-L560 VanDerWaalsContact O-CG 3.3Å; L556-L560 WeakPolarHBondContact O-CG 3.41Å; L556-L560 PolarHBondContact O-N 3.25Å; L560-T562 PolarHBondContact O-N 3.3Å; L560-R563 PolarHBondContact O-N 3.46Å; L560-T564 WeakPolarHBondContact O-CB 3.42Å; L560-T564 PolarHBondContact O-N 3.06Å; L560-T564 PolarHBondContact O-OG1 2.85Å; L560-V570 HydrophobicContact CB-CG2 4.43Å; L560-V570 HydrophobicContact CD1-CG1 4.21Å; L560-F571 HydrophobicContact CD1-CD2 3.98Å; L560-F571 HydrophobicContact CD1-CE2 3.26Å; L560-F571 HydrophobicContact CD1-CZ 3.99Å; L560-W600 HydrophobicContact CD2-CH2 4.31Å; L560-L607 HydrophobicContact CD2-CD2 4.05Å; L560-F658 HydrophobicContact CD1-CE1 4.43Å
561S73Confident72.1Confident46 Ų4665.1 Ų65.132%0.32233%0.326SS..Hα-helixtrans-61.5-35.7173.869.30000111.8N557 E558 G565N557-S561 WeakPolarHBondContact O-CB 3.07Å; N557-S561 PolarHBondContact O-N 3.34Å; N557-S561 PolarHBondContact O-OG 3.07Å; E558-S561 PolarHBondContact O-OG 3.23Å; S561-G565 WeakPolarHBondContact O-CA 3.41Å; S561-G565 PolarHBondContact O-N 2.92Å
562T70.3Confident72.2Confident119 Ų11965.4 Ų65.473%0.7333%0.329SS*.Hα-helixtrans-72.3-43.3178.1-52.50000112.1E558 V559 L560E558-T562 PolarHBondContact O-N 3.41Å; E558-T562 PolarHBondContact O-OG1 2.8Å; V559-T562 PolarHBondContact O-N 3.33Å; L560-T562 PolarHBondContact O-N 3.3Å
563R67.8Low72.2Confident117 Ų11767.4 Ų67.444%0.44234%0.339SS..Hα-helixtrans-75.8-39-179.6-87-170.3174.4178.52.8114.3E529 D530 V559 L560E529-R563 PolarHBondContact O-NH2 3.15Å; D530-R563 IonicContact OD1-CZ 2.67Å; D530-R563 IonicContact OD1-NH1 2.77Å; D530-R563 PolarHBondContact OD1-NH1 2.78Å; D530-R563 VanDerWaalsContact OD1-NH1 3.13Å; D530-R563 IonicContact OD1-NH2 3.74Å; D530-R563 PolarHBondContact OD1-NH2 3.02Å; V559-R563 PolarHBondContact O-N 2.99Å; L560-R563 PolarHBondContact O-N 3.46Å
564T64Low72.1Confident38 Ų3869.3 Ų69.323%0.23335%0.352CS..Hα-helixtrans-100.3-12.6-170.465.60000113.8L560 M566 L607L560-T564 WeakPolarHBondContact O-CB 3.42Å; L560-T564 PolarHBondContact O-N 3.06Å; L560-T564 PolarHBondContact O-OG1 2.85Å; T564-M566 PolarHBondContact O-N 3.01Å; T564-M566 PolarHBondContact OG1-N 2.8Å; T564-L607 HydrophobicContact CG2-CD1 4.46Å; T564-L607 HydrophobicContact CG2-CD2 4.07Å
565G58.1Low72.3Confident62 Ų6261.4 Ų61.464%0.63932%0.322SS*.  trans69.57.5-175.600000114.3S561S561-G565 WeakPolarHBondContact O-CA 3.41Å; S561-G565 PolarHBondContact O-N 2.92Å
566M56.9Low72.5Confident75 Ų7561.3 Ų61.337%0.36932%0.322SS..  trans-76.5119.6176.7-66.1-176.6164.800110.1T564 F568T564-M566 PolarHBondContact O-N 3.01Å; T564-M566 PolarHBondContact OG1-N 2.8Å; M566-F568 VanDerWaalsContact C-N 3.29Å; M566-F568 PolarHBondContact O-N 2.87Å
567K48.3Very low72.6Confident202 Ų20268.1 Ų68.188%0.87835%0.347SS*.  trans-81.712.8-174-78.3-172.1175.1-178.90115.5
568F52.2Low72.7Confident174 Ų17469.1 Ų69.176%0.76335%0.352SS*.SBendtrans-118.6158-172.4-64-75.1000112.6M566 V570M566-F568 VanDerWaalsContact C-N 3.29Å; M566-F568 PolarHBondContact O-N 2.87Å; F568-V570 WeakPolarHBondContact O-CG2 3.38Å; F568-V570 PolarHBondContact O-N 3.38Å
569D59.1Low73.1Confident115 Ų11564.8 Ų64.862%0.61533%0.332SS*.  trans-6096.7170.7-108.1-0.7000108.8K553 N557K553-D569 IonicContact NZ-OD2 2.81Å; K553-D569 PolarHBondContact NZ-OD2 2.92Å; N557-D569 PolarHBondContact ND2-OD1 3.2Å
570V68.5Low73.4Confident19 Ų1964.7 Ų64.712%0.11533%0.33CS..  trans-68.5-39.4-170.6-178.10000112N557 L560 F568 F658 D659N557-V570 PolarHBondContact OD1-N 2.96Å; L560-V570 HydrophobicContact CB-CG2 4.43Å; L560-V570 HydrophobicContact CD1-CG1 4.21Å; F568-V570 WeakPolarHBondContact O-CG2 3.38Å; F568-V570 PolarHBondContact O-N 3.38Å; V570-F658 HydrophobicContact CG1-CD1 3.79Å; V570-D659 WeakPolarHBondContact O-CB 3.34Å
571F81.7Confident73.8Confident1 Ų166.7 Ų66.70%0.00435%0.345CS..SBendtrans-113.2139.1179.4-69-61.5000113.3K553 L556 N557 L560 T575 M579 F658 D659 M662K553-F571 WeakPolarHBondContact CE-O 3.32Å; L556-F571 HydrophobicContact CB-CD2 3.74Å; L556-F571 HydrophobicContact CB-CE2 4.08Å; L556-F571 HydrophobicContact CD1-CD2 3.88Å; L556-F571 HydrophobicContact CD1-CE2 3.99Å; L556-F571 HydrophobicContact CG-CD2 4.42Å; L556-F571 HydrophobicContact CG-CE2 4.49Å; N557-F571 PolarHBondContact OD1-N 3.5Å; L560-F571 HydrophobicContact CD1-CD2 3.98Å; L560-F571 HydrophobicContact CD1-CE2 3.26Å; L560-F571 HydrophobicContact CD1-CZ 3.99Å; F571-T575 HydrophobicContact CD1-CG2 3.93Å; F571-T575 HydrophobicContact CE1-CG2 4.39Å; F571-M579 HydrophobicContact CD1-CE 4.07Å; F571-M579 HydrophobicContact CE1-CE 3.68Å; F571-M579 HydrophobicContact CE2-CE 4.42Å; F571-M579 HydrophobicContact CZ-CE 3.85Å; F571-F658 HydrophobicContact CE1-CD1 4.26Å; F571-F658 HydrophobicContact CE1-CE1 4.14Å; F571-F658 HydrophobicContact CE2-CE1 4.49Å; F571-F658 HydrophobicContact CZ-CD1 4.1Å; F571-F658 AromaticContact CZ-CE1 3.62Å; F571-F658 HydrophobicContact CZ-CE1 3.62Å; F571-D659 WeakPolarHBondContact CD1-OD1 3.09Å; F571-M662 HydrophobicContact CE1-CB 3.74Å; F571-M662 HydrophobicContact CE1-CG 3.75Å; F571-M662 HydrophobicContact CZ-CB 4.48Å; F571-M662 HydrophobicContact CZ-CG 4.06Å
572N85.1Confident74.2Confident61 Ų6165.2 Ų65.233%0.32633%0.333SS..  trans-85.8161.3169.280.857.1000111.8N574 T575 C576 D659N572-N574 VanDerWaalsContact C-N 3.27Å; N572-N574 PolarHBondContact O-N 3.3Å; N572-N574 VanDerWaalsContact OD1-CA 3.29Å; N572-N574 WeakPolarHBondContact OD1-CA 3.48Å; N572-N574 VanDerWaalsContact OD1-CB 3.27Å; N572-N574 WeakPolarHBondContact OD1-CB 3.23Å; N572-N574 PolarHBondContact OD1-N 2.73Å; N572-T575 VanDerWaalsContact CG-OG1 3.28Å; N572-T575 PolarHBondContact ND2-OG1 3.31Å; N572-T575 PolarHBondContact O-N 2.85Å; N572-T575 PolarHBondContact OD1-N 2.83Å; N572-T575 PolarHBondContact OD1-OG1 2.77Å; N572-C576 PolarHBondContact O-N 3.13Å; N572-C576 PolarHBondContact O-SG 3.44Å; N572-D659 WeakPolarHBondContact CB-OD2 3.42Å; N572-D659 VanDerWaalsContact CG-OD2 3.28Å; N572-D659 PolarHBondContact N-OD1 3.35Å; N572-D659 PolarHBondContact N-OD2 3.2Å; N572-D659 PolarHBondContact ND2-OD2 3.17Å
573I85Confident74.7Confident43 Ų4360.6 Ų60.622%0.22130%0.304CS..Hα-helixtrans-64.8-28.5-177.4-170.258.7000113.5A549 N550 R577A549-I573 HydrophobicContact CB-CD1 3.72Å; A549-I573 WeakPolarHBondContact O-CD1 3.5Å; N550-I573 VanDerWaalsContact OD1-CD1 3.25Å; N550-I573 WeakPolarHBondContact OD1-CD1 3.45Å; I573-R577 WeakPolarHBondContact O-CG 3.2Å; I573-R577 PolarHBondContact O-N 3.11Å; I573-R577 VanDerWaalsContact O-N 3.08Å
574N84.8Confident75.3Confident96 Ų9656.6 Ų56.651%0.51329%0.291SS..Hα-helixtrans-74.2-38.7178.9-60.3-34.3000110.9N572 C576 R577 E578N572-N574 VanDerWaalsContact C-N 3.27Å; N572-N574 PolarHBondContact O-N 3.3Å; N572-N574 VanDerWaalsContact OD1-CA 3.29Å; N572-N574 WeakPolarHBondContact OD1-CA 3.48Å; N572-N574 VanDerWaalsContact OD1-CB 3.27Å; N572-N574 WeakPolarHBondContact OD1-CB 3.23Å; N572-N574 PolarHBondContact OD1-N 2.73Å; N574-C576 VanDerWaalsContact C-N 3.32Å; N574-C576 PolarHBondContact O-N 2.91Å; N574-R577 WeakPolarHBondContact O-CB 3.24Å; N574-R577 PolarHBondContact O-N 3.05Å; N574-R577 VanDerWaalsContact O-N 3.16Å; N574-E578 VanDerWaalsContact O-CG 3.32Å; N574-E578 WeakPolarHBondContact O-CG 3.42Å; N574-E578 PolarHBondContact O-N 3.12Å
575T85.9Confident75.5Confident3 Ų359.9 Ų59.92%0.01832%0.316CS..Hα-helixtrans-59.5-44.7172.4-52.10000110.5F571 N572 R577 E578 M579 D659 M662 A663F571-T575 HydrophobicContact CD1-CG2 3.93Å; F571-T575 HydrophobicContact CE1-CG2 4.39Å; N572-T575 VanDerWaalsContact CG-OG1 3.28Å; N572-T575 PolarHBondContact ND2-OG1 3.31Å; N572-T575 PolarHBondContact O-N 2.85Å; N572-T575 PolarHBondContact OD1-N 2.83Å; N572-T575 PolarHBondContact OD1-OG1 2.77Å; T575-R577 VanDerWaalsContact C-N 3.32Å; T575-R577 PolarHBondContact O-N 3.35Å; T575-E578 PolarHBondContact O-N 3.46Å; T575-M579 HydrophobicContact CG2-CE 3.76Å; T575-M579 HydrophobicContact CG2-SD 4.33Å; T575-M579 VanDerWaalsContact O-CG 3.28Å; T575-M579 WeakPolarHBondContact O-CG 3.47Å; T575-M579 PolarHBondContact O-N 3.4Å; T575-D659 VanDerWaalsContact CB-OD1 3.26Å; T575-D659 WeakPolarHBondContact CB-OD1 3.34Å; T575-D659 WeakPolarHBondContact CG2-OD1 3.19Å; T575-D659 PolarHBondContact OG1-OD1 3.24Å; T575-M662 HydrophobicContact CG2-CB 4.48Å; T575-A663 HydrophobicContact CG2-CB 3.95Å
576C85.9Confident76.1Confident0 Ų061.7 Ų61.70%031%0.311CS..Hα-helixtrans-62.6-36.9175.1-61.80000112.8A549 L552 N572 N574 M579 I580A549-C576 HydrophobicContact CB-CB 4.43Å; L552-C576 HydrophobicContact CD2-CB 4.04Å; L552-C576 HydrophobicContact CG-CB 4.41Å; N572-C576 PolarHBondContact O-N 3.13Å; N572-C576 PolarHBondContact O-SG 3.44Å; N574-C576 VanDerWaalsContact C-N 3.32Å; N574-C576 PolarHBondContact O-N 2.91Å; C576-M579 PolarHBondContact O-N 3.17Å; C576-I580 VanDerWaalsContact O-CG1 3.28Å; C576-I580 WeakPolarHBondContact O-CG1 3.4Å; C576-I580 PolarHBondContact O-N 3.21Å
577R85.4Confident76.9Confident144 Ų14461.1 Ų61.154%0.54333%0.325SS..Hα-helixtrans-65.5-40.6174.5-73.8169.8176.9168.2-3.7112.3A549 I573 N574 T575 I580 S581A549-R577 HydrophobicContact CB-CG 3.76Å; I573-R577 WeakPolarHBondContact O-CG 3.2Å; I573-R577 PolarHBondContact O-N 3.11Å; I573-R577 VanDerWaalsContact O-N 3.08Å; N574-R577 WeakPolarHBondContact O-CB 3.24Å; N574-R577 PolarHBondContact O-N 3.05Å; N574-R577 VanDerWaalsContact O-N 3.16Å; T575-R577 VanDerWaalsContact C-N 3.32Å; T575-R577 PolarHBondContact O-N 3.35Å; R577-I580 PolarHBondContact O-N 3.25Å; R577-S581 WeakPolarHBondContact O-CB 3.48Å; R577-S581 PolarHBondContact O-N 2.79Å
578E84.1Confident78.3Confident33 Ų3354.5 Ų54.515%0.15430%0.299CS..Hα-helixtrans-66-38.1176.1-68.3-91.7-173.700111.9N574 T575 S581 L582 I666 R667 N670N574-E578 VanDerWaalsContact O-CG 3.32Å; N574-E578 WeakPolarHBondContact O-CG 3.42Å; N574-E578 PolarHBondContact O-N 3.12Å; T575-E578 PolarHBondContact O-N 3.46Å; E578-S581 PolarHBondContact O-N 2.81Å; E578-L582 PolarHBondContact O-N 3.22Å; E578-L582 VanDerWaalsContact O-N 3.09Å; E578-I666 HydrophobicContact CB-CG2 4.16Å; E578-I666 WeakPolarHBondContact O-CG2 3.15Å; E578-R667 IonicContact OE1-CZ 3.11Å; E578-R667 IonicContact OE1-NH1 2.62Å; E578-R667 PolarHBondContact OE1-NH1 3.12Å; E578-R667 IonicContact OE2-NH1 3.96Å; E578-N670 PolarHBondContact O-ND2 2.74Å
579M86.8Confident79.6Confident0 Ų048.2 Ų48.20%028%0.283CS..Hα-helixtrans-63-44.4174.3-72.2167.3170.100111.9L552 L556 F571 T575 C576 L582 L599 I603 M662 I666L552-M579 HydrophobicContact CD2-CB 4.4Å; L556-M579 HydrophobicContact CD1-SD 4.18Å; F571-M579 HydrophobicContact CD1-CE 4.07Å; F571-M579 HydrophobicContact CE1-CE 3.68Å; F571-M579 HydrophobicContact CE2-CE 4.42Å; F571-M579 HydrophobicContact CZ-CE 3.85Å; T575-M579 HydrophobicContact CG2-CE 3.76Å; T575-M579 HydrophobicContact CG2-SD 4.33Å; T575-M579 VanDerWaalsContact O-CG 3.28Å; T575-M579 WeakPolarHBondContact O-CG 3.47Å; T575-M579 PolarHBondContact O-N 3.4Å; C576-M579 PolarHBondContact O-N 3.17Å; M579-L582 PolarHBondContact O-N 3.15Å; M579-L599 HydrophobicContact CB-CD1 3.95Å; M579-L599 HydrophobicContact CB-CD2 3.98Å; M579-L599 HydrophobicContact CG-CD1 3.99Å; M579-L599 HydrophobicContact SD-CD1 4.42Å; M579-L599 HydrophobicContact SD-CD2 4.45Å; M579-I603 HydrophobicContact CE-CD1 4.27Å; M579-I603 HydrophobicContact CE-CG1 4.43Å; M579-M662 HydrophobicContact CE-CB 4.22Å; M579-M662 HydrophobicContact CE-CE 3.6Å; M579-I666 HydrophobicContact CG-CD1 4.39Å; M579-I666 HydrophobicContact CG-CG1 4.12Å; M579-I666 HydrophobicContact CG-CG2 4.37Å
580I84.4Confident80.7Confident7 Ų744 Ų444%0.03626%0.261CS..Hα-helixtrans-60.4-51.7173.9-67.5167.6000108.9A549 L552 C576 R577 L582 L583 D584 L591A549-I580 VanDerWaalsContact CA-CD1 3.43Å; A549-I580 HydrophobicContact CB-CD1 3.67Å; A549-I580 VanDerWaalsContact N-CD1 3.34Å; L552-I580 HydrophobicContact CD2-CD1 4.33Å; L552-I580 HydrophobicContact CD2-CG1 4.01Å; C576-I580 VanDerWaalsContact O-CG1 3.28Å; C576-I580 WeakPolarHBondContact O-CG1 3.4Å; C576-I580 PolarHBondContact O-N 3.21Å; R577-I580 PolarHBondContact O-N 3.25Å; I580-L582 PolarHBondContact O-N 3.18Å; I580-L583 PolarHBondContact O-N 3.42Å; I580-D584 HydrophobicContact CG2-CB 3.97Å; I580-D584 WeakPolarHBondContact O-CB 3.21Å; I580-D584 PolarHBondContact O-N 3.31Å; I580-L591 HydrophobicContact CB-CD1 4.5Å; I580-L591 HydrophobicContact CB-CG 4.38Å; I580-L591 HydrophobicContact CG1-CD1 3.69Å; I580-L591 HydrophobicContact CG1-CG 3.86Å; I580-L591 HydrophobicContact CG2-CG 4.39Å
581S83.2Confident81.3Confident45 Ų4543 Ų4332%0.31526%0.256SS..Hα-helixtrans-57.2-23179.8-177.80000114.8R577 E578 V699R577-S581 WeakPolarHBondContact O-CB 3.48Å; R577-S581 PolarHBondContact O-N 2.79Å; E578-S581 PolarHBondContact O-N 2.81Å; S581-V699 WeakPolarHBondContact OG-CG1 3.33Å
582L81.3Confident81.3Confident16 Ų1643.7 Ų43.78%0.08426%0.262CS..Hα-helixtrans-77.2-31.6176.7173.464.8000113.7E578 M579 I580 I666 E669 N670 K673E578-L582 PolarHBondContact O-N 3.22Å; E578-L582 VanDerWaalsContact O-N 3.09Å; M579-L582 PolarHBondContact O-N 3.15Å; I580-L582 PolarHBondContact O-N 3.18Å; L582-I666 HydrophobicContact CB-CG2 4.1Å; L582-I666 HydrophobicContact CD2-CD1 3.5Å; L582-I666 HydrophobicContact CD2-CG2 4Å; L582-E669 HydrophobicContact CD1-CB 4.08Å; L582-E669 HydrophobicContact CD1-CG 3.67Å; L582-E669 HydrophobicContact CD2-CB 4.43Å; L582-E669 HydrophobicContact CD2-CG 4.36Å; L582-N670 WeakPolarHBondContact CA-OD1 3.47Å; L582-N670 WeakPolarHBondContact CB-OD1 3.48Å; L582-N670 WeakPolarHBondContact CD1-OD1 3.27Å; L582-K673 HydrophobicContact CD1-CD 4.02Å
583L80.7Confident81Confident21 Ų2143.6 Ų43.611%0.1127%0.266CS..Hα-helixtrans-117.7-15.3-168-63.4171.4000113.1I580 S585 L591 E595 L599I580-L583 PolarHBondContact O-N 3.42Å; L583-S585 PolarHBondContact O-N 3.19Å; L583-S585 PolarHBondContact O-OG 2.68Å; L583-S585 VanDerWaalsContact O-OG 3.1Å; L583-L591 HydrophobicContact CB-CD2 3.69Å; L583-E595 HydrophobicContact CB-CB 4.29Å; L583-E595 WeakPolarHBondContact O-CG 3.35Å; L583-L599 HydrophobicContact CD1-CB 3.35Å; L583-L599 HydrophobicContact CD1-CD1 3.67Å; L583-L599 HydrophobicContact CD1-CD2 4.39Å; L583-L599 HydrophobicContact CD1-CG 3.94Å
584D79.3Confident80.6Confident33 Ų3348.6 Ų48.618%0.17629%0.288CS..  trans-65.390.7173.5177.63.9000109.5I580 D586 G587 N588 G589I580-D584 HydrophobicContact CG2-CB 3.97Å; I580-D584 WeakPolarHBondContact O-CB 3.21Å; I580-D584 PolarHBondContact O-N 3.31Å; D584-D586 VanDerWaalsContact C-N 3.35Å; D584-G587 WeakPolarHBondContact OD1-CA 3.31Å; D584-G587 PolarHBondContact OD1-N 3.31Å; D584-N588 PolarHBondContact OD1-N 3.08Å; D584-N588 PolarHBondContact OD2-N 2.77Å; D584-G589 VanDerWaalsContact OD2-CA 3.28Å; D584-G589 WeakPolarHBondContact OD2-CA 3.32Å; D584-G589 PolarHBondContact OD2-N 3.06Å
585S69.5Low80.4Confident107 Ų10745.6 Ų45.675%0.74827%0.271SS*.SBendtrans-78.3-25.2-175.7-42.10000111.9L583 E595L583-S585 PolarHBondContact O-N 3.19Å; L583-S585 PolarHBondContact O-OG 2.68Å; L583-S585 VanDerWaalsContact O-OG 3.1Å; S585-E595 WeakPolarHBondContact CB-OE1 3.36Å; S585-E595 PolarHBondContact N-OE1 3.12Å; S585-E595 VanDerWaalsContact N-OE1 3.15Å; S585-E595 PolarHBondContact OG-OE1 3.31Å
586D71Confident80.2Confident100 Ų10045.5 Ų45.554%0.53527%0.27SS..SBendtrans-102.7-6.6-171.264.8-17.2000113.4D584 N588D584-D586 VanDerWaalsContact C-N 3.35Å; D586-N588 VanDerWaalsContact C-N 3.33Å; D586-N588 VanDerWaalsContact OD1-CG 3.28Å; D586-N588 PolarHBondContact OD1-ND2 3.31Å; D586-N588 PolarHBondContact OD2-ND2 3.23Å
587G73.2Confident79.8Confident64 Ų6449 Ų4966%0.6629%0.285SS*.SBendtrans74.223.2173.400000113.3D584D584-G587 WeakPolarHBondContact OD1-CA 3.31Å; D584-G587 PolarHBondContact OD1-N 3.31Å
588N77.8Confident79.6Confident62 Ų6243 Ų4333%0.33227%0.266SS..SBendtrans-90-9.2-171.98016.1000112.9E546 D584 D586 T590E546-N588 PolarHBondContact OE1-ND2 2.99Å; E546-N588 VanDerWaalsContact OE1-ND2 3.11Å; D584-N588 PolarHBondContact OD1-N 3.08Å; D584-N588 PolarHBondContact OD2-N 2.77Å; D586-N588 VanDerWaalsContact C-N 3.33Å; D586-N588 VanDerWaalsContact OD1-CG 3.28Å; D586-N588 PolarHBondContact OD1-ND2 3.31Å; D586-N588 PolarHBondContact OD2-ND2 3.23Å; N588-T590 VanDerWaalsContact CG-OG1 3.3Å; N588-T590 PolarHBondContact ND2-OG1 3.2Å; N588-T590 WeakPolarHBondContact OD1-CA 3.4Å; N588-T590 WeakPolarHBondContact OD1-CB 3.31Å; N588-T590 PolarHBondContact OD1-N 3.31Å; N588-T590 PolarHBondContact OD1-O 2.6Å; N588-T590 PolarHBondContact OD1-OG1 3.21Å
589G78.7Confident79.6Confident43 Ų4341.4 Ų41.444%0.44326%0.259SS..SBendtrans79.115.2179.200000114.5D584D584-G589 VanDerWaalsContact OD2-CA 3.28Å; D584-G589 WeakPolarHBondContact OD2-CA 3.32Å; D584-G589 PolarHBondContact OD2-N 3.06Å
590T82.7Confident79.5Confident25 Ų2541.5 Ų41.515%0.15326%0.259CS..SBendtrans-134.2174.9178.8720000110.5E546 M547 N588E546-T590 PolarHBondContact OE2-OG1 3.41Å; M547-T590 VanDerWaalsContact O-CA 3.27Å; M547-T590 WeakPolarHBondContact O-CA 3.48Å; M547-T590 WeakPolarHBondContact O-CB 3.5Å; N588-T590 VanDerWaalsContact CG-OG1 3.3Å; N588-T590 PolarHBondContact ND2-OG1 3.2Å; N588-T590 WeakPolarHBondContact OD1-CA 3.4Å; N588-T590 WeakPolarHBondContact OD1-CB 3.31Å; N588-T590 PolarHBondContact OD1-N 3.31Å; N588-T590 PolarHBondContact OD1-O 2.6Å; N588-T590 PolarHBondContact OD1-OG1 3.21Å
591L82.1Confident79.4Confident0 Ų042.3 Ų42.30%026%0.263CS..BIsolated β-bridgetrans-120130.8176.2-71166.3000111E546 M547 L552 I580 L583 E595 L596 L599E546-L591 WeakPolarHBondContact CA-O 3.25Å; M547-L591 PolarHBondContact N-O 2.65Å; M547-L591 PolarHBondContact O-N 3.37Å; M547-L591 VanDerWaalsContact O-N 3.08Å; L552-L591 HydrophobicContact CD2-CD1 4.01Å; I580-L591 HydrophobicContact CB-CD1 4.5Å; I580-L591 HydrophobicContact CB-CG 4.38Å; I580-L591 HydrophobicContact CG1-CD1 3.69Å; I580-L591 HydrophobicContact CG1-CG 3.86Å; I580-L591 HydrophobicContact CG2-CG 4.39Å; L583-L591 HydrophobicContact CB-CD2 3.69Å; L591-E595 HydrophobicContact CD2-CB 3.78Å; L591-L596 HydrophobicContact CD1-CD1 4.26Å; L591-L599 HydrophobicContact CD1-CD2 3.77Å
592G81.3Confident79.5Confident14 Ų1440.4 Ų40.414%0.14425%0.25CC..  trans-77.8172.5167.300000112.9E594 E595 L596G592-E594 PolarHBondContact O-N 2.94Å; G592-E595 PolarHBondContact N-OE2 2.88Å; G592-E595 PolarHBondContact O-N 2.82Å; G592-L596 WeakPolarHBondContact O-CB 3.48Å; G592-L596 PolarHBondContact O-N 3.05Å
593P77.1Confident79.7Confident60 Ų6039.7 Ų39.739%0.3925%0.246SC..Hα-helixtrans-66.1-33.5-175.922.4-31.7000114.1F537 K597F537-P593 HydrophobicContact CE1-CB 4.18Å; F537-P593 HydrophobicContact CZ-CB 4.24Å; P593-K597 WeakPolarHBondContact O-CG 3.22Å; P593-K597 PolarHBondContact O-N 3.11Å; P593-K597 VanDerWaalsContact O-N 3.17Å
594E77Confident79.9Confident147 Ų14740 Ų4069%0.68725%0.249SC*.Hα-helixtrans-73.5-39.9176.6-65.8-161.9153.100112.3G592 L596 K597 A598G592-E594 PolarHBondContact O-N 2.94Å; E594-L596 VanDerWaalsContact C-N 3.35Å; E594-K597 WeakPolarHBondContact O-CB 3.28Å; E594-K597 PolarHBondContact O-N 2.81Å; E594-A598 PolarHBondContact O-N 3.45Å
595E81.8Confident80.2Confident34 Ų3441.3 Ų41.316%0.15925%0.253CS..Hα-helixtrans-66.4-40177-63.5171.2153.900110.7L583 S585 L591 G592 K597 A598 L599L583-E595 HydrophobicContact CB-CB 4.29Å; L583-E595 WeakPolarHBondContact O-CG 3.35Å; S585-E595 WeakPolarHBondContact CB-OE1 3.36Å; S585-E595 PolarHBondContact N-OE1 3.12Å; S585-E595 VanDerWaalsContact N-OE1 3.15Å; S585-E595 PolarHBondContact OG-OE1 3.31Å; L591-E595 HydrophobicContact CD2-CB 3.78Å; G592-E595 PolarHBondContact N-OE2 2.88Å; G592-E595 PolarHBondContact O-N 2.82Å; E595-K597 VanDerWaalsContact C-N 3.35Å; E595-K597 PolarHBondContact O-N 3.06Å; E595-A598 PolarHBondContact O-N 3.14Å; E595-L599 PolarHBondContact O-N 3.27Å
596L80.6Confident81Confident1 Ų136.2 Ų36.21%0.00522%0.218CC..Hα-helixtrans-65.7-35.8175-170.471.1000112.6F533 W534 F537 M547 L552 L591 G592 E594 A598 L599 W600F533-L596 HydrophobicContact CE1-CD2 3.97Å; F533-L596 HydrophobicContact CE1-CG 4.11Å; F533-L596 HydrophobicContact CZ-CD1 4.32Å; F533-L596 HydrophobicContact CZ-CD2 4.04Å; F533-L596 HydrophobicContact CZ-CG 4.16Å; W534-L596 HydrophobicContact CH2-CB 4.22Å; W534-L596 HydrophobicContact CH2-CD2 4.15Å; W534-L596 HydrophobicContact CH2-CG 4.22Å; W534-L596 HydrophobicContact CZ3-CD2 4.1Å; F537-L596 HydrophobicContact CB-CD2 4.33Å; F537-L596 HydrophobicContact CD2-CD2 2.95Å; F537-L596 HydrophobicContact CD2-CG 4.43Å; F537-L596 HydrophobicContact CE2-CD2 3.18Å; F537-L596 HydrophobicContact CE2-CG 4.44Å; F537-L596 HydrophobicContact CG-CD2 3.75Å; F537-L596 HydrophobicContact CZ-CD2 4.14Å; M547-L596 HydrophobicContact SD-CD2 3.82Å; L552-L596 HydrophobicContact CD1-CD1 3.7Å; L591-L596 HydrophobicContact CD1-CD1 4.26Å; G592-L596 WeakPolarHBondContact O-CB 3.48Å; G592-L596 PolarHBondContact O-N 3.05Å; E594-L596 VanDerWaalsContact C-N 3.35Å; L596-A598 VanDerWaalsContact C-N 3.33Å; L596-A598 PolarHBondContact O-N 2.92Å; L596-L599 HydrophobicContact CD1-CB 4.47Å; L596-L599 HydrophobicContact CD1-CD2 4.16Å; L596-L599 WeakPolarHBondContact O-CB 3.23Å; L596-L599 PolarHBondContact O-N 2.85Å; L596-W600 PolarHBondContact O-N 2.81Å
597K77.7Confident81.7Confident73 Ų7332.7 Ų32.732%0.31720%0.199SC..Hα-helixtrans-57.5-48.7172.9-79170.7-174.8-178.90110.9W534 P593 E594 E595 L599 W600 L601W534-K597 HydrophobicContact CH2-CB 4.16Å; W534-K597 HydrophobicContact CH2-CD 4.31Å; W534-K597 HydrophobicContact CH2-CG 3.26Å; W534-K597 HydrophobicContact CZ2-CB 4.01Å; W534-K597 HydrophobicContact CZ2-CD 4.18Å; W534-K597 HydrophobicContact CZ2-CG 3.09Å; W534-K597 HydrophobicContact CZ3-CG 4.29Å; P593-K597 WeakPolarHBondContact O-CG 3.22Å; P593-K597 PolarHBondContact O-N 3.11Å; P593-K597 VanDerWaalsContact O-N 3.17Å; E594-K597 WeakPolarHBondContact O-CB 3.28Å; E594-K597 PolarHBondContact O-N 2.81Å; E595-K597 VanDerWaalsContact C-N 3.35Å; E595-K597 PolarHBondContact O-N 3.06Å; K597-L599 VanDerWaalsContact C-N 3.31Å; K597-L599 PolarHBondContact O-N 3.34Å; K597-W600 PolarHBondContact O-N 3.42Å; K597-L601 PolarHBondContact O-N 2.77Å; K597-L601 VanDerWaalsContact O-N 3.15Å
598A81Confident82.3Confident17 Ų1735.7 Ų35.714%0.1420%0.196CC..Hα-helixtrans-62.1-39.8177.400000111.7E594 E595 L596 K602E594-A598 PolarHBondContact O-N 3.45Å; E595-A598 PolarHBondContact O-N 3.14Å; L596-A598 VanDerWaalsContact C-N 3.33Å; L596-A598 PolarHBondContact O-N 2.92Å; A598-K602 WeakPolarHBondContact O-CG 3.5Å; A598-K602 PolarHBondContact O-N 2.97Å; A598-K602 VanDerWaalsContact O-N 3.16Å
599L84.8Confident82.8Confident0 Ų033.4 Ų33.40%018%0.183CC..Hα-helixtrans-61.1-47175.8-172.353.5000111.9L552 M579 L583 L591 E595 L596 K597 K602 I603L552-L599 HydrophobicContact CD1-CD2 4.19Å; L552-L599 HydrophobicContact CD2-CD2 3.98Å; M579-L599 HydrophobicContact CB-CD1 3.95Å; M579-L599 HydrophobicContact CB-CD2 3.98Å; M579-L599 HydrophobicContact CG-CD1 3.99Å; M579-L599 HydrophobicContact SD-CD1 4.42Å; M579-L599 HydrophobicContact SD-CD2 4.45Å; L583-L599 HydrophobicContact CD1-CB 3.35Å; L583-L599 HydrophobicContact CD1-CD1 3.67Å; L583-L599 HydrophobicContact CD1-CD2 4.39Å; L583-L599 HydrophobicContact CD1-CG 3.94Å; L591-L599 HydrophobicContact CD1-CD2 3.77Å; E595-L599 PolarHBondContact O-N 3.27Å; L596-L599 HydrophobicContact CD1-CB 4.47Å; L596-L599 HydrophobicContact CD1-CD2 4.16Å; L596-L599 WeakPolarHBondContact O-CB 3.23Å; L596-L599 PolarHBondContact O-N 2.85Å; K597-L599 VanDerWaalsContact C-N 3.31Å; K597-L599 PolarHBondContact O-N 3.34Å; L599-K602 WeakPolarHBondContact O-CB 3.5Å; L599-K602 PolarHBondContact O-N 3.49Å; L599-I603 HydrophobicContact CD1-CD1 4.21Å; L599-I603 HydrophobicContact CD1-CG1 4.35Å; L599-I603 HydrophobicContact CG-CD1 3.9Å; L599-I603 HydrophobicContact CG-CG1 4.44Å; L599-I603 WeakPolarHBondContact O-CG1 3.25Å; L599-I603 PolarHBondContact O-N 3.43Å
600W83.6Confident83.1Confident2 Ų231.6 Ų31.61%0.00816%0.163CC..Hα-helixtrans-62.6-46.9-177.1-175.7-113.3000111.8D530 F533 L556 V559 L560 L596 K597 K602 I603 C604D530-W600 PolarHBondContact OD1-NE1 2.76Å; F533-W600 HydrophobicContact CB-CZ2 4.17Å; F533-W600 HydrophobicContact CD1-CB 4.33Å; F533-W600 AromaticContact CD1-CD2 3.9Å; F533-W600 HydrophobicContact CD1-CD2 3.9Å; F533-W600 HydrophobicContact CD1-CE3 4.39Å; F533-W600 AromaticContact CD1-CG 3.85Å; F533-W600 HydrophobicContact CD1-CG 3.85Å; F533-W600 AromaticContact CD2-CD2 3.77Å; F533-W600 HydrophobicContact CD2-CD2 3.77Å; F533-W600 AromaticContact CD2-CE2 3.94Å; F533-W600 AromaticContact CD2-CE3 3.59Å; F533-W600 HydrophobicContact CD2-CE3 3.59Å; F533-W600 AromaticContact CD2-CH2 3.82Å; F533-W600 HydrophobicContact CD2-CH2 3.82Å; F533-W600 AromaticContact CD2-CZ2 3.96Å; F533-W600 HydrophobicContact CD2-CZ2 3.96Å; F533-W600 AromaticContact CD2-CZ3 3.63Å; F533-W600 HydrophobicContact CD2-CZ3 3.63Å; F533-W600 HydrophobicContact CE1-CB 3.87Å; F533-W600 AromaticContact CE1-CD2 3.97Å; F533-W600 HydrophobicContact CE1-CD2 3.97Å; F533-W600 HydrophobicContact CE1-CE3 4.17Å; F533-W600 AromaticContact CE1-CG 3.85Å; F533-W600 HydrophobicContact CE1-CG 3.85Å; F533-W600 AromaticContact CE2-CD2 3.88Å; F533-W600 HydrophobicContact CE2-CD2 3.88Å; F533-W600 AromaticContact CE2-CE3 3.36Å; F533-W600 HydrophobicContact CE2-CE3 3.36Å; F533-W600 HydrophobicContact CE2-CH2 4.27Å; F533-W600 AromaticContact CE2-CZ3 3.6Å; F533-W600 HydrophobicContact CE2-CZ3 3.6Å; F533-W600 AromaticContact CG-CD2 3.81Å; F533-W600 HydrophobicContact CG-CD2 3.81Å; F533-W600 AromaticContact CG-CE2 3.8Å; F533-W600 HydrophobicContact CG-CE3 4.13Å; F533-W600 HydrophobicContact CG-CG 4.23Å; F533-W600 HydrophobicContact CG-CH2 4.44Å; F533-W600 HydrophobicContact CG-CZ2 4.12Å; F533-W600 HydrophobicContact CG-CZ3 4.44Å; F533-W600 HydrophobicContact CZ-CB 4.26Å; F533-W600 AromaticContact CZ-CD2 3.96Å; F533-W600 HydrophobicContact CZ-CD2 3.96Å; F533-W600 AromaticContact CZ-CE3 3.67Å; F533-W600 HydrophobicContact CZ-CE3 3.67Å; F533-W600 HydrophobicContact CZ-CG 4.23Å; F533-W600 HydrophobicContact CZ-CZ3 4.37Å; L556-W600 HydrophobicContact CD2-CE3 3.9Å; L556-W600 HydrophobicContact CD2-CZ3 3.73Å; V559-W600 HydrophobicContact CB-CH2 4.24Å; V559-W600 HydrophobicContact CG1-CH2 3.45Å; V559-W600 VanDerWaalsContact CG1-CH2 3.45Å; V559-W600 HydrophobicContact CG1-CZ2 3.9Å; V559-W600 HydrophobicContact CG1-CZ3 4.34Å; L560-W600 HydrophobicContact CD2-CH2 4.31Å; L596-W600 PolarHBondContact O-N 2.81Å; K597-W600 PolarHBondContact O-N 3.42Å; W600-K602 VanDerWaalsContact C-N 3.27Å; W600-K602 PolarHBondContact O-N 3.07Å; W600-I603 HydrophobicContact CZ3-CG2 4.41Å; W600-I603 PolarHBondContact O-N 3.11Å; W600-I603 VanDerWaalsContact O-N 3.07Å; W600-C604 PolarHBondContact O-N 2.91Å; W600-C604 PolarHBondContact O-SG 3.32Å
601L82.6Confident83.1Confident24 Ų2435.6 Ų35.613%0.12618%0.18CC..Hα-helixtrans-58.9-39.6175.9-70.6171.8000112.1P521 H522 D525 M526 K597 K605P521-L601 HydrophobicContact CB-CB 3.66Å; P521-L601 HydrophobicContact CB-CD1 3.94Å; P521-L601 HydrophobicContact CB-CG 4.43Å; P521-L601 HydrophobicContact CG-CB 3.75Å; H522-L601 WeakPolarHBondContact O-CD1 3.41Å; D525-L601 HydrophobicContact CB-CD1 4.37Å; M526-L601 HydrophobicContact CG-CD1 4.14Å; M526-L601 HydrophobicContact CG-CD2 4.3Å; M526-L601 HydrophobicContact CG-CG 4.39Å; M526-L601 HydrophobicContact SD-CD1 3.92Å; M526-L601 HydrophobicContact SD-CD2 3.51Å; M526-L601 VanDerWaalsContact SD-CD2 3.51Å; M526-L601 HydrophobicContact SD-CG 3.54Å; M526-L601 VanDerWaalsContact SD-CG 3.54Å; K597-L601 PolarHBondContact O-N 2.77Å; K597-L601 VanDerWaalsContact O-N 3.15Å; L601-K605 PolarHBondContact O-N 2.8Å; L601-K605 VanDerWaalsContact O-N 3.08Å
602K86.8Confident83.3Confident6 Ų640.5 Ų40.53%0.02620%0.203CC..Hα-helixtrans-62.6-47.3173.1-77177.3174.2-76.30111.5H519 P521 A598 L599 W600 C604 K605 Y606 E669H519-K602 PolarHBondContact O-NZ 3.12Å; P521-K602 HydrophobicContact CG-CG 3.71Å; A598-K602 WeakPolarHBondContact O-CG 3.5Å; A598-K602 PolarHBondContact O-N 2.97Å; A598-K602 VanDerWaalsContact O-N 3.16Å; L599-K602 WeakPolarHBondContact O-CB 3.5Å; L599-K602 PolarHBondContact O-N 3.49Å; W600-K602 VanDerWaalsContact C-N 3.27Å; W600-K602 PolarHBondContact O-N 3.07Å; K602-C604 PolarHBondContact O-N 2.95Å; K602-K605 PolarHBondContact O-N 2.7Å; K602-Y606 HydrophobicContact CB-CD2 4.26Å; K602-Y606 HydrophobicContact CB-CE2 3.94Å; K602-Y606 HydrophobicContact CG-CE2 4.41Å; K602-Y606 WeakPolarHBondContact O-CB 3.4Å; K602-Y606 WeakPolarHBondContact O-CD2 3.41Å; K602-Y606 VanDerWaalsContact O-CG 3.29Å; K602-Y606 PolarHBondContact O-N 2.82Å; K602-E669 WeakPolarHBondContact CE-OE1 3.1Å; K602-E669 IonicContact NZ-OE1 2.75Å; K602-E669 PolarHBondContact NZ-OE1 2.99Å; K602-E669 IonicContact NZ-OE2 3.61Å; K602-E669 PolarHBondContact NZ-OE2 3.24Å
603I85.8Confident83.3Confident1 Ų140.4 Ų40.41%0.00520%0.199CC..Hα-helixtrans-59-46.7178.5-69.1170.2000110.5L556 M579 L599 W600 K605 Y606 L607 M662L556-I603 HydrophobicContact CD1-CD1 4Å; L556-I603 HydrophobicContact CD2-CD1 3.65Å; M579-I603 HydrophobicContact CE-CD1 4.27Å; M579-I603 HydrophobicContact CE-CG1 4.43Å; L599-I603 HydrophobicContact CD1-CD1 4.21Å; L599-I603 HydrophobicContact CD1-CG1 4.35Å; L599-I603 HydrophobicContact CG-CD1 3.9Å; L599-I603 HydrophobicContact CG-CG1 4.44Å; L599-I603 WeakPolarHBondContact O-CG1 3.25Å; L599-I603 PolarHBondContact O-N 3.43Å; W600-I603 HydrophobicContact CZ3-CG2 4.41Å; W600-I603 PolarHBondContact O-N 3.11Å; W600-I603 VanDerWaalsContact O-N 3.07Å; I603-K605 PolarHBondContact O-N 2.79Å; I603-Y606 PolarHBondContact O-N 3.49Å; I603-L607 VanDerWaalsContact O-CB 3.26Å; I603-L607 WeakPolarHBondContact O-CB 3.41Å; I603-L607 PolarHBondContact O-N 2.82Å; I603-M662 HydrophobicContact CB-CE 4.46Å; I603-M662 HydrophobicContact CG1-CE 3.69Å
604C83.1Confident83.3Confident26 Ų2638.1 Ų38.118%0.17618%0.184CC..Hα-helixtrans-58.3-49.4177.9-70.70000111.6W600 K602 Y606 L607 E608W600-C604 PolarHBondContact O-N 2.91Å; W600-C604 PolarHBondContact O-SG 3.32Å; K602-C604 PolarHBondContact O-N 2.95Å; C604-Y606 PolarHBondContact O-N 3.25Å; C604-L607 WeakPolarHBondContact O-CB 3.26Å; C604-L607 PolarHBondContact O-N 3.08Å; C604-E608 WeakPolarHBondContact O-CG 3.21Å; C604-E608 PolarHBondContact O-N 2.87Å
605K85.6Confident82.7Confident61 Ų6138.3 Ų38.327%0.26518%0.184SC..Hα-helixtrans-61.3-43177.8-178.2171.4-173.5147.40113H519 L601 K602 I603 L607 E608 I609H519-K605 HydrophobicContact CB-CD 3.75Å; H519-K605 WeakPolarHBondContact CD2-CD 3.28Å; H519-K605 PolarHBondContact CD2-NZ 3.45Å; H519-K605 PolarHBondContact CE1-NZ 3.34Å; H519-K605 VanDerWaalsContact CE1-NZ 3.32Å; H519-K605 VanDerWaalsContact CG-CD 3.47Å; H519-K605 PolarHBondContact ND1-NZ 2.91Å; H519-K605 PolarHBondContact NE2-NZ 2.91Å; L601-K605 PolarHBondContact O-N 2.8Å; L601-K605 VanDerWaalsContact O-N 3.08Å; K602-K605 PolarHBondContact O-N 2.7Å; I603-K605 PolarHBondContact O-N 2.79Å; K605-L607 VanDerWaalsContact C-N 3.32Å; K605-E608 PolarHBondContact O-N 3.49Å; K605-I609 HydrophobicContact CG-CD1 4.21Å; K605-I609 WeakPolarHBondContact O-CG1 3.43Å; K605-I609 PolarHBondContact O-N 3.49Å
606Y87.8Confident82Confident1 Ų141.5 Ų41.50%0.00420%0.202CC..Hα-helixtrans-70.8-31178.9-65.9-39000112K602 I603 C604 I609 Y610 A633 M662 V665K602-Y606 HydrophobicContact CB-CD2 4.26Å; K602-Y606 HydrophobicContact CB-CE2 3.94Å; K602-Y606 HydrophobicContact CG-CE2 4.41Å; K602-Y606 WeakPolarHBondContact O-CB 3.4Å; K602-Y606 WeakPolarHBondContact O-CD2 3.41Å; K602-Y606 VanDerWaalsContact O-CG 3.29Å; K602-Y606 PolarHBondContact O-N 2.82Å; I603-Y606 PolarHBondContact O-N 3.49Å; C604-Y606 PolarHBondContact O-N 3.25Å; Y606-I609 HydrophobicContact CD1-CD1 4.19Å; Y606-I609 PolarHBondContact O-N 2.86Å; Y606-Y610 VanDerWaalsContact O-CB 3.3Å; Y606-Y610 WeakPolarHBondContact O-CB 3.27Å; Y606-Y610 PolarHBondContact O-N 3.3Å; Y606-A633 HydrophobicContact CD1-CB 4.32Å; Y606-A633 HydrophobicContact CE1-CB 3.92Å; Y606-M662 WeakPolarHBondContact CB-SD 3.49Å; Y606-M662 HydrophobicContact CD2-CE 3.94Å; Y606-M662 HydrophobicContact CD2-SD 3.73Å; Y606-M662 HydrophobicContact CG-SD 3.99Å; Y606-V665 HydrophobicContact CD1-CG1 4.08Å; Y606-V665 HydrophobicContact CD2-CG1 3.97Å; Y606-V665 HydrophobicContact CE1-CG1 3.63Å; Y606-V665 HydrophobicContact CE2-CG1 3.48Å; Y606-V665 VanDerWaalsContact CE2-CG1 3.48Å; Y606-V665 HydrophobicContact CG-CG1 4.27Å
607L85.6Confident81.3Confident25 Ų2552.2 Ų52.213%0.13124%0.243CC..Hα-helixtrans-64.6-43.7171.2-176.563.6000111.4L560 T564 I603 C604 K605 Y610 Q611 F658L560-L607 HydrophobicContact CD2-CD2 4.05Å; T564-L607 HydrophobicContact CG2-CD1 4.46Å; T564-L607 HydrophobicContact CG2-CD2 4.07Å; I603-L607 VanDerWaalsContact O-CB 3.26Å; I603-L607 WeakPolarHBondContact O-CB 3.41Å; I603-L607 PolarHBondContact O-N 2.82Å; C604-L607 WeakPolarHBondContact O-CB 3.26Å; C604-L607 PolarHBondContact O-N 3.08Å; K605-L607 VanDerWaalsContact C-N 3.32Å; L607-Y610 PolarHBondContact O-N 2.88Å; L607-Q611 HydrophobicContact CD1-CG 4.29Å; L607-Q611 HydrophobicContact CG-CG 4.46Å; L607-Q611 WeakPolarHBondContact O-CB 3.49Å; L607-Q611 VanDerWaalsContact O-CG 3.29Å; L607-Q611 WeakPolarHBondContact O-CG 3.39Å; L607-Q611 PolarHBondContact O-N 3.29Å; L607-F658 HydrophobicContact CB-CE2 4.09Å; L607-F658 HydrophobicContact CB-CZ 3.78Å; L607-F658 HydrophobicContact CD1-CD1 4.39Å; L607-F658 HydrophobicContact CD1-CD2 4.22Å; L607-F658 HydrophobicContact CD1-CE1 4.01Å; L607-F658 HydrophobicContact CD1-CE2 3.85Å; L607-F658 HydrophobicContact CD1-CG 4.48Å; L607-F658 HydrophobicContact CD1-CZ 3.73Å; L607-F658 HydrophobicContact CG-CZ 4.34Å
608E85.9Confident80.8Confident128 Ų12853.4 Ų53.460%0.59826%0.256SS*.Hα-helixtrans-59.1-48.7174.2-71.8172.2-175.500111.6C604 K605 Y610 Q611 E612C604-E608 WeakPolarHBondContact O-CG 3.21Å; C604-E608 PolarHBondContact O-N 2.87Å; K605-E608 PolarHBondContact O-N 3.49Å; E608-Y610 VanDerWaalsContact C-N 3.3Å; E608-Y610 PolarHBondContact O-N 2.87Å; E608-Q611 PolarHBondContact O-N 2.69Å; E608-E612 WeakPolarHBondContact O-CB 3.46Å; E608-E612 PolarHBondContact O-N 3.4Å
609I87.4Confident80.5Confident14 Ų1453.5 Ų53.57%0.07226%0.258CS..Hα-helixtrans-59.2-44.5177.1-67.9166.9000110.3K605 Y606 E612 M613 A629 K632 A633 F661K605-I609 HydrophobicContact CG-CD1 4.21Å; K605-I609 WeakPolarHBondContact O-CG1 3.43Å; K605-I609 PolarHBondContact O-N 3.49Å; Y606-I609 HydrophobicContact CD1-CD1 4.19Å; Y606-I609 PolarHBondContact O-N 2.86Å; I609-E612 PolarHBondContact O-N 3.14Å; I609-M613 VanDerWaalsContact O-CG 3.27Å; I609-M613 WeakPolarHBondContact O-CG 3.38Å; I609-M613 PolarHBondContact O-N 3.38Å; I609-A629 HydrophobicContact CG2-CB 4.07Å; I609-K632 HydrophobicContact CD1-CB 4.45Å; I609-K632 HydrophobicContact CG2-CB 4.15Å; I609-A633 HydrophobicContact CD1-CB 4.34Å; I609-F661 HydrophobicContact CG2-CZ 4.32Å
610Y85.3Confident80.3Confident4 Ų456 Ų562%0.01627%0.274CS..Hα-helixtrans-63.4-47.2180-173.6-88.6000111.9Y606 L607 E608 E612 M613 D614 G619 T620 I621 I656 D657 F658 F661Y606-Y610 VanDerWaalsContact O-CB 3.3Å; Y606-Y610 WeakPolarHBondContact O-CB 3.27Å; Y606-Y610 PolarHBondContact O-N 3.3Å; L607-Y610 PolarHBondContact O-N 2.88Å; E608-Y610 VanDerWaalsContact C-N 3.3Å; E608-Y610 PolarHBondContact O-N 2.87Å; Y610-E612 VanDerWaalsContact C-N 3.28Å; Y610-E612 PolarHBondContact O-N 3.06Å; Y610-M613 PolarHBondContact O-N 3.27Å; Y610-M613 VanDerWaalsContact O-N 3.1Å; Y610-D614 HydrophobicContact CE1-CB 4.41Å; Y610-D614 PolarHBondContact O-N 3.09Å; Y610-G619 PolarHBondContact OH-O 2.73Å; Y610-T620 VanDerWaalsContact OH-CA 3.25Å; Y610-T620 WeakPolarHBondContact OH-CA 3.42Å; Y610-I621 HydrophobicContact CD2-CD1 3.86Å; Y610-I621 HydrophobicContact CD2-CG1 4.32Å; Y610-I621 HydrophobicContact CD2-CG2 4.1Å; Y610-I621 HydrophobicContact CE1-CG2 4.41Å; Y610-I621 HydrophobicContact CE2-CB 4.3Å; Y610-I621 HydrophobicContact CE2-CD1 3.75Å; Y610-I621 HydrophobicContact CE2-CG1 3.72Å; Y610-I621 HydrophobicContact CE2-CG2 3.77Å; Y610-I656 PolarHBondContact OH-O 3.23Å; Y610-I656 VanDerWaalsContact OH-O 3.06Å; Y610-D657 WeakPolarHBondContact OH-CA 3.4Å; Y610-F658 HydrophobicContact CD1-CB 4.45Å; Y610-F658 AromaticContact CD1-CD2 3.94Å; Y610-F658 HydrophobicContact CD1-CD2 3.94Å; Y610-F658 AromaticContact CD2-CD2 3.83Å; Y610-F658 HydrophobicContact CD2-CD2 3.83Å; Y610-F658 HydrophobicContact CE1-CB 4.16Å; Y610-F658 HydrophobicContact CE1-CD2 4.46Å; Y610-F658 HydrophobicContact CE2-CB 4.3Å; Y610-F658 HydrophobicContact CE2-CD2 4.34Å; Y610-F658 AromaticContact CG-CD2 3.59Å; Y610-F658 HydrophobicContact CG-CD2 3.59Å; Y610-F658 HydrophobicContact CG-CE2 4.26Å; Y610-F658 PolarHBondContact OH-N 3.26Å; Y610-F661 HydrophobicContact CD2-CB 3.84Å; Y610-F661 AromaticContact CD2-CD1 3.77Å; Y610-F661 HydrophobicContact CD2-CD1 3.77Å; Y610-F661 HydrophobicContact CD2-CD2 4.49Å; Y610-F661 HydrophobicContact CD2-CE1 4.47Å; Y610-F661 AromaticContact CD2-CG 3.77Å; Y610-F661 HydrophobicContact CD2-CG 3.77Å; Y610-F661 HydrophobicContact CE2-CB 3.94Å; Y610-F661 HydrophobicContact CE2-CG 4.35Å; Y610-F661 HydrophobicContact CG-CD1 4.43Å
611Q83.4Confident80.3Confident109 Ų10956 Ų5651%0.50927%0.273SS..Hα-helixtrans-65-31.4178.3-72.5178.1-3.700112.8L607 E608 M613L607-Q611 HydrophobicContact CD1-CG 4.29Å; L607-Q611 HydrophobicContact CG-CG 4.46Å; L607-Q611 WeakPolarHBondContact O-CB 3.49Å; L607-Q611 VanDerWaalsContact O-CG 3.29Å; L607-Q611 WeakPolarHBondContact O-CG 3.39Å; L607-Q611 PolarHBondContact O-N 3.29Å; E608-Q611 PolarHBondContact O-N 2.69Å; Q611-M613 VanDerWaalsContact C-N 3.28Å
612E84.8Confident80.2Confident103 Ų10357.7 Ų57.748%0.48128%0.283SS..Hα-helixtrans-67.4-32.2174.2-161.4-168.7165.200111.8E608 I609 Y610 H615 K632E608-E612 WeakPolarHBondContact O-CB 3.46Å; E608-E612 PolarHBondContact O-N 3.4Å; I609-E612 PolarHBondContact O-N 3.14Å; Y610-E612 VanDerWaalsContact C-N 3.28Å; Y610-E612 PolarHBondContact O-N 3.06Å; E612-H615 PolarHBondContact O-CE1 3.18Å; E612-H615 PolarHBondContact O-ND1 2.92Å; E612-K632 IonicContact OE1-NZ 3.22Å; E612-K632 PolarHBondContact OE1-NZ 3.4Å; E612-K632 IonicContact OE2-NZ 2.82Å; E612-K632 PolarHBondContact OE2-NZ 3.11Å
613M81.4Confident79.7Confident12 Ų1257.9 Ų57.96%0.05929%0.286CS..Hα-helixtrans-85.8-32.8-179.8-59.7-65.890.100113.1I609 Y610 Q611 H615 I621 E625 T628 A629 K632I609-M613 VanDerWaalsContact O-CG 3.27Å; I609-M613 WeakPolarHBondContact O-CG 3.38Å; I609-M613 PolarHBondContact O-N 3.38Å; Y610-M613 PolarHBondContact O-N 3.27Å; Y610-M613 VanDerWaalsContact O-N 3.1Å; Q611-M613 VanDerWaalsContact C-N 3.28Å; M613-H615 PolarHBondContact O-CD2 3.44Å; M613-H615 PolarHBondContact O-N 3.22Å; M613-I621 HydrophobicContact CB-CG2 4.2Å; M613-E625 HydrophobicContact CB-CB 4.36Å; M613-T628 HydrophobicContact SD-CG2 3.82Å; M613-A629 HydrophobicContact CG-CB 3.98Å; M613-K632 HydrophobicContact CE-CD 4.18Å; M613-K632 VanDerWaalsContact CE-NZ 3.27Å
614D76.6Confident79.2Confident13 Ų1358.7 Ų58.77%0.0729%0.289CS..  trans-73.763.9175.6-175.313.2000111.5Y610 N616 R617 V618 G619 I621Y610-D614 HydrophobicContact CE1-CB 4.41Å; Y610-D614 PolarHBondContact O-N 3.09Å; D614-N616 PolarHBondContact O-N 3.1Å; D614-N616 VanDerWaalsContact O-N 3.15Å; D614-N616 PolarHBondContact OD1-OD1 3.11Å; D614-R617 PolarHBondContact O-N 2.7Å; D614-R617 WeakPolarHBondContact OD1-CA 3.46Å; D614-R617 PolarHBondContact OD1-N 3.13Å; D614-R617 WeakPolarHBondContact OD2-CA 3.23Å; D614-V618 PolarHBondContact OD1-N 3.45Å; D614-G619 VanDerWaalsContact OD2-CA 3.3Å; D614-G619 WeakPolarHBondContact OD2-CA 3.38Å; D614-G619 PolarHBondContact OD2-N 3.28Å; D614-I621 HydrophobicContact CB-CG2 4.12Å
615H66.2Low79.3Confident151 Ų15159.3 Ų59.370%0.69929%0.29SS*.THydrogen-bonded Turntrans-60.1-27.2-175.6-69.5-54.7000113.3E612 M613E612-H615 PolarHBondContact O-CE1 3.18Å; E612-H615 PolarHBondContact O-ND1 2.92Å; M613-H615 PolarHBondContact O-CD2 3.44Å; M613-H615 PolarHBondContact O-N 3.22Å
616N65.5Low79.2Confident100 Ų10056.5 Ų56.554%0.53528%0.278SS..THydrogen-bonded Turntrans-92.1-4.2-179.26112.9000112.9D614 V618D614-N616 PolarHBondContact O-N 3.1Å; D614-N616 VanDerWaalsContact O-N 3.15Å; D614-N616 PolarHBondContact OD1-OD1 3.11Å; N616-V618 HydrophobicContact CB-CG2 3.86Å; N616-V618 PolarHBondContact O-N 3.48Å; N616-V618 WeakPolarHBondContact OD1-CB 3.47Å; N616-V618 VanDerWaalsContact OD1-CG2 3.31Å; N616-V618 WeakPolarHBondContact OD1-CG2 3.05Å; N616-V618 PolarHBondContact OD1-N 2.7Å
617R67.1Low79Confident227 Ų22757.8 Ų57.886%0.85728%0.282SS*.  trans5233.7-177.9-60.2-174.2177.5-170.6-2.2112.7D614D614-R617 PolarHBondContact O-N 2.7Å; D614-R617 WeakPolarHBondContact OD1-CA 3.46Å; D614-R617 PolarHBondContact OD1-N 3.13Å; D614-R617 WeakPolarHBondContact OD2-CA 3.23Å
618V67.5Low78.9Confident98 Ų9859.2 Ų59.259%0.59429%0.292SS*.SBendtrans-77.9-16.5179.3174.40000110.1D614 N616D614-V618 PolarHBondContact OD1-N 3.45Å; N616-V618 HydrophobicContact CB-CG2 3.86Å; N616-V618 PolarHBondContact O-N 3.48Å; N616-V618 WeakPolarHBondContact OD1-CB 3.47Å; N616-V618 VanDerWaalsContact OD1-CG2 3.31Å; N616-V618 WeakPolarHBondContact OD1-CG2 3.05Å; N616-V618 PolarHBondContact OD1-N 2.7Å
619G73.6Confident79Confident19 Ų1953.1 Ų53.120%0.19626%0.264CS..SBendtrans88.45.9-178.300000113.1Y610 D614Y610-G619 PolarHBondContact OH-O 2.73Å; D614-G619 VanDerWaalsContact OD2-CA 3.3Å; D614-G619 WeakPolarHBondContact OD2-CA 3.38Å; D614-G619 PolarHBondContact OD2-N 3.28Å
620T80.8Confident79Confident53 Ų5352.5 Ų52.533%0.32526%0.26SS..EExtended strand (participates in β ladder)trans-138136.3178590000109.9Y610 I656Y610-T620 VanDerWaalsContact OH-CA 3.25Å; Y610-T620 WeakPolarHBondContact OH-CA 3.42Å; T620-I656 CarbonylContact C-O 3.58Å; T620-I656 VanDerWaalsContact CA-O 3.31Å; T620-I656 WeakPolarHBondContact CA-O 3.33Å
621I83.5Confident79Confident0 Ų058.3 Ų58.30%029%0.286CS..EExtended strand (participates in β ladder)trans-98.4146.8170.563.5177.3000110.6Y610 M613 D614 E625 M626 G655 I656 F661Y610-I621 HydrophobicContact CD2-CD1 3.86Å; Y610-I621 HydrophobicContact CD2-CG1 4.32Å; Y610-I621 HydrophobicContact CD2-CG2 4.1Å; Y610-I621 HydrophobicContact CE1-CG2 4.41Å; Y610-I621 HydrophobicContact CE2-CB 4.3Å; Y610-I621 HydrophobicContact CE2-CD1 3.75Å; Y610-I621 HydrophobicContact CE2-CG1 3.72Å; Y610-I621 HydrophobicContact CE2-CG2 3.77Å; M613-I621 HydrophobicContact CB-CG2 4.2Å; D614-I621 HydrophobicContact CB-CG2 4.12Å; I621-E625 VanDerWaalsContact CA-OE2 3.22Å; I621-E625 WeakPolarHBondContact CA-OE2 3.32Å; I621-E625 HydrophobicContact CB-CB 3.95Å; I621-E625 HydrophobicContact CG2-CB 4.49Å; I621-M626 HydrophobicContact CD1-CB 4.24Å; I621-M626 HydrophobicContact CD1-SD 4.08Å; I621-G655 CarbonylContact O-C 3.47Å; I621-G655 WeakPolarHBondContact O-CA 3.33Å; I621-I656 HydrophobicContact CG1-CB 4.06Å; I621-I656 PolarHBondContact N-O 3.17Å; I621-I656 PolarHBondContact O-N 3.48Å; I621-F661 HydrophobicContact CD1-CD2 4.02Å; I621-F661 HydrophobicContact CD1-CG 4.48Å
622D80.1Confident79.2Confident61 Ų6157.5 Ų57.533%0.32628%0.281SS..EExtended strand (participates in β ladder)trans-80.5172.3170.577.228.3000111.8H624 E625 M626D622-H624 PolarHBondContact O-N 2.89Å; D622-H624 VanDerWaalsContact OD1-CA 3.3Å; D622-H624 WeakPolarHBondContact OD1-CA 3.43Å; D622-H624 WeakPolarHBondContact OD1-CB 3.28Å; D622-H624 IonicContact OD1-CD2 3.97Å; D622-H624 IonicContact OD1-CG 3.65Å; D622-H624 PolarHBondContact OD1-N 2.95Å; D622-H624 IonicContact OD2-CD2 3.19Å; D622-E625 PolarHBondContact N-OE2 2.77Å; D622-E625 PolarHBondContact O-N 2.78Å; D622-E625 PolarHBondContact OD1-N 3.04Å; D622-M626 WeakPolarHBondContact O-CB 3.36Å; D622-M626 PolarHBondContact O-N 2.62Å
623A76.8Confident79.3Confident10 Ų1052.7 Ų52.78%0.08326%0.259CS..Hα-helixtrans-67.6-20.8-179.300000114.4G368 M626 R627 A646G368-A623 WeakPolarHBondContact O-CB 3.38Å; A623-M626 WeakPolarHBondContact O-CB 3.29Å; A623-R627 PolarHBondContact O-N 3.05Å; A623-R627 VanDerWaalsContact O-N 3.09Å; A623-A646 HydrophobicContact CB-CB 4.08Å
624H76.4Confident79.5Confident17 Ų1753.2 Ų53.28%0.07927%0.267CS..Hα-helixtrans-77.6-42.1177.8-51.3-50.5000110.3S369 W382 T383 D622 M626 R627 T628S369-H624 PolarHBondContact O-CE1 2.82Å; S369-H624 PolarHBondContact O-ND1 2.56Å; W382-H624 HydrophobicContact CZ2-CB 4.13Å; T383-H624 HydrophobicContact CG2-CB 4.31Å; T383-H624 WeakPolarHBondContact CG2-ND1 3.27Å; D622-H624 PolarHBondContact O-N 2.89Å; D622-H624 VanDerWaalsContact OD1-CA 3.3Å; D622-H624 WeakPolarHBondContact OD1-CA 3.43Å; D622-H624 WeakPolarHBondContact OD1-CB 3.28Å; D622-H624 IonicContact OD1-CD2 3.97Å; D622-H624 IonicContact OD1-CG 3.65Å; D622-H624 PolarHBondContact OD1-N 2.95Å; D622-H624 IonicContact OD2-CD2 3.19Å; H624-M626 VanDerWaalsContact C-N 3.33Å; H624-R627 WeakPolarHBondContact O-CB 3.2Å; H624-R627 PolarHBondContact O-N 2.92Å; H624-T628 PolarHBondContact O-N 2.86Å; H624-T628 PolarHBondContact O-OG1 2.79Å
625E83.3Confident80Confident40 Ų4052.7 Ų52.719%0.18726%0.264CS..Hα-helixtrans-60.7-43.7168.4-71.2167.7164.200110.2M613 I621 D622 R627 T628 A629M613-E625 HydrophobicContact CB-CB 4.36Å; I621-E625 VanDerWaalsContact CA-OE2 3.22Å; I621-E625 WeakPolarHBondContact CA-OE2 3.32Å; I621-E625 HydrophobicContact CB-CB 3.95Å; I621-E625 HydrophobicContact CG2-CB 4.49Å; D622-E625 PolarHBondContact N-OE2 2.77Å; D622-E625 PolarHBondContact O-N 2.78Å; D622-E625 PolarHBondContact OD1-N 3.04Å; E625-R627 VanDerWaalsContact C-N 3.33Å; E625-R627 PolarHBondContact O-N 2.79Å; E625-T628 CarbonylContact O-C 3.59Å; E625-T628 WeakPolarHBondContact O-CB 3.36Å; E625-T628 PolarHBondContact O-N 3.11Å; E625-A629 WeakPolarHBondContact O-CB 3.08Å; E625-A629 PolarHBondContact O-N 2.84Å
626M84.6Confident80.9Confident2 Ų249.8 Ų49.81%0.0125%0.253CS..Hα-helixtrans-55.5-43.3174.5-178.255.9162.700112.8I621 D622 A623 H624 T628 A629 L630 I645 I656 F661 C664I621-M626 HydrophobicContact CD1-CB 4.24Å; I621-M626 HydrophobicContact CD1-SD 4.08Å; D622-M626 WeakPolarHBondContact O-CB 3.36Å; D622-M626 PolarHBondContact O-N 2.62Å; A623-M626 WeakPolarHBondContact O-CB 3.29Å; H624-M626 VanDerWaalsContact C-N 3.33Å; M626-T628 VanDerWaalsContact C-N 3.25Å; M626-T628 PolarHBondContact O-N 2.85Å; M626-A629 PolarHBondContact O-N 2.83Å; M626-L630 HydrophobicContact CE-CD1 4.04Å; M626-L630 HydrophobicContact CE-CD2 3.99Å; M626-L630 HydrophobicContact CE-CG 4.05Å; M626-L630 HydrophobicContact CG-CD1 4.05Å; M626-L630 HydrophobicContact CG-CG 4.38Å; M626-L630 WeakPolarHBondContact O-CB 3.49Å; M626-L630 VanDerWaalsContact O-CG 3.28Å; M626-L630 WeakPolarHBondContact O-CG 3.49Å; M626-L630 PolarHBondContact O-N 3.49Å; M626-L630 HydrophobicContact SD-CD1 4.18Å; M626-L630 HydrophobicContact SD-CD2 4.42Å; M626-L630 HydrophobicContact SD-CG 3.96Å; M626-I645 HydrophobicContact CE-CG2 3.7Å; M626-I645 HydrophobicContact CG-CG2 4.18Å; M626-I656 HydrophobicContact CB-CD1 3.87Å; M626-I656 HydrophobicContact CG-CD1 3.77Å; M626-I656 HydrophobicContact SD-CD1 4.42Å; M626-F661 HydrophobicContact CE-CD2 3.76Å; M626-F661 HydrophobicContact CE-CE2 4.27Å; M626-F661 HydrophobicContact SD-CD2 3.39Å; M626-F661 WeakPolarHBondContact SD-CD2 3.48Å; M626-F661 HydrophobicContact SD-CE2 3.71Å; M626-C664 HydrophobicContact CE-CB 3.67Å; M626-C664 VanDerWaalsContact CE-SG 3.55Å
627R83.9Confident81.8Confident28 Ų2845.5 Ų45.511%0.10623%0.229CC..Hα-helixtrans-59.5-38.8177.1-172.4174.3-170.9136.45.2111.9H445 A623 H624 E625 K631 N639H445-R627 PolarHBondContact CD2-NH2 3Å; A623-R627 PolarHBondContact O-N 3.05Å; A623-R627 VanDerWaalsContact O-N 3.09Å; H624-R627 WeakPolarHBondContact O-CB 3.2Å; H624-R627 PolarHBondContact O-N 2.92Å; E625-R627 VanDerWaalsContact C-N 3.33Å; E625-R627 PolarHBondContact O-N 2.79Å; R627-K631 PolarHBondContact O-N 3.16Å; R627-N639 PolarHBondContact NH1-OD1 2.75Å; R627-N639 PolarHBondContact NH2-OD1 3.36Å
628T83.5Confident82.6Confident55 Ų5535.4 Ų35.434%0.33719%0.192SC..Hα-helixtrans-75.1-41.5178.2-53.10000111.2M613 H624 E625 M626 L630 K631 K632M613-T628 HydrophobicContact SD-CG2 3.82Å; H624-T628 PolarHBondContact O-N 2.86Å; H624-T628 PolarHBondContact O-OG1 2.79Å; E625-T628 CarbonylContact O-C 3.59Å; E625-T628 WeakPolarHBondContact O-CB 3.36Å; E625-T628 PolarHBondContact O-N 3.11Å; M626-T628 VanDerWaalsContact C-N 3.25Å; M626-T628 PolarHBondContact O-N 2.85Å; T628-L630 PolarHBondContact O-N 2.78Å; T628-K631 WeakPolarHBondContact O-CB 3.47Å; T628-K631 PolarHBondContact O-N 3.05Å; T628-K632 PolarHBondContact O-N 2.85Å
629A87.4Confident83.2Confident0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-58-47.7175.900000111.4I609 M613 E625 M626 K631 K632 A633 F661I609-A629 HydrophobicContact CG2-CB 4.07Å; M613-A629 HydrophobicContact CG-CB 3.98Å; E625-A629 WeakPolarHBondContact O-CB 3.08Å; E625-A629 PolarHBondContact O-N 2.84Å; M626-A629 PolarHBondContact O-N 2.83Å; A629-K631 VanDerWaalsContact C-N 3.31Å; A629-K631 PolarHBondContact O-N 3Å; A629-K632 PolarHBondContact O-N 2.91Å; A629-A633 WeakPolarHBondContact O-CB 3.47Å; A629-A633 PolarHBondContact O-N 2.78Å; A629-F661 HydrophobicContact CB-CE2 3.66Å; A629-F661 HydrophobicContact CB-CZ 4.03Å
630L88.3Confident83.5Confident0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-61.4-39177.4-72171.6000112M626 T628 A633 G634 F635 L637 I645 V665 L668M626-L630 HydrophobicContact CE-CD1 4.04Å; M626-L630 HydrophobicContact CE-CD2 3.99Å; M626-L630 HydrophobicContact CE-CG 4.05Å; M626-L630 HydrophobicContact CG-CD1 4.05Å; M626-L630 HydrophobicContact CG-CG 4.38Å; M626-L630 WeakPolarHBondContact O-CB 3.49Å; M626-L630 VanDerWaalsContact O-CG 3.28Å; M626-L630 WeakPolarHBondContact O-CG 3.49Å; M626-L630 PolarHBondContact O-N 3.49Å; M626-L630 HydrophobicContact SD-CD1 4.18Å; M626-L630 HydrophobicContact SD-CD2 4.42Å; M626-L630 HydrophobicContact SD-CG 3.96Å; T628-L630 PolarHBondContact O-N 2.78Å; L630-A633 CarbonylContact O-C 3.55Å; L630-A633 PolarHBondContact O-N 2.91Å; L630-G634 PolarHBondContact O-N 2.89Å; L630-F635 CarbonylContact C-O 3.54Å; L630-F635 HydrophobicContact CB-CB 4.44Å; L630-F635 HydrophobicContact CD2-CD2 4.38Å; L630-F635 WeakPolarHBondContact O-CA 3.27Å; L630-F635 WeakPolarHBondContact O-CB 3.12Å; L630-F635 PolarHBondContact O-N 2.97Å; L630-L637 HydrophobicContact CD1-CD1 4Å; L630-I645 HydrophobicContact CD1-CD1 3.77Å; L630-I645 HydrophobicContact CD1-CG2 4.42Å; L630-V665 HydrophobicContact CD2-CG2 3.92Å; L630-L668 HydrophobicContact CD2-CD1 3.76Å
631K85Confident83.7Confident127 Ų12734 Ų3455%0.55217%0.174SC*.Hα-helixtrans-63.6-43175.2-168.6178.7180-177.30111.7R627 T628 A629 A633 G634 F635R627-K631 PolarHBondContact O-N 3.16Å; T628-K631 WeakPolarHBondContact O-CB 3.47Å; T628-K631 PolarHBondContact O-N 3.05Å; A629-K631 VanDerWaalsContact C-N 3.31Å; A629-K631 PolarHBondContact O-N 3Å; K631-A633 VanDerWaalsContact C-N 3.32Å; K631-G634 PolarHBondContact O-N 2.84Å; K631-G634 VanDerWaalsContact O-N 3.14Å; K631-F635 VanDerWaalsContact CA-O 3.31Å; K631-F635 WeakPolarHBondContact CA-O 3.42Å; K631-F635 PolarHBondContact N-O 2.94Å
632K85.9Confident83.6Confident92 Ų9234.6 Ų34.640%0.418%0.176SC..Hα-helixtrans-66.1-33.6173.8-74.3-175.5169-173.10112.8I609 E612 M613 T628 A629 G634I609-K632 HydrophobicContact CD1-CB 4.45Å; I609-K632 HydrophobicContact CG2-CB 4.15Å; E612-K632 IonicContact OE1-NZ 3.22Å; E612-K632 PolarHBondContact OE1-NZ 3.4Å; E612-K632 IonicContact OE2-NZ 2.82Å; E612-K632 PolarHBondContact OE2-NZ 3.11Å; M613-K632 HydrophobicContact CE-CD 4.18Å; M613-K632 VanDerWaalsContact CE-NZ 3.27Å; T628-K632 PolarHBondContact O-N 2.85Å; A629-K632 PolarHBondContact O-N 2.91Å; K632-G634 PolarHBondContact O-N 3.15Å
633A87.2Confident83.6Confident2 Ų232.2 Ų32.22%0.01716%0.164CC..THydrogen-bonded Turntrans-71.5-5.8173.600000113.5Y606 I609 A629 L630 K631 F635Y606-A633 HydrophobicContact CD1-CB 4.32Å; Y606-A633 HydrophobicContact CE1-CB 3.92Å; I609-A633 HydrophobicContact CD1-CB 4.34Å; A629-A633 WeakPolarHBondContact O-CB 3.47Å; A629-A633 PolarHBondContact O-N 2.78Å; L630-A633 CarbonylContact O-C 3.55Å; L630-A633 PolarHBondContact O-N 2.91Å; K631-A633 VanDerWaalsContact C-N 3.32Å; A633-F635 HydrophobicContact CB-CD2 4.04Å; A633-F635 HydrophobicContact CB-CE2 4.28Å
634G86.8Confident84Confident22 Ų2235.3 Ų35.323%0.22718%0.178CC..THydrogen-bonded Turntrans100.210.1175.900000114.8A517 L630 K631 K632A517-G634 PolarHBondContact N-O 3.14Å; L630-G634 PolarHBondContact O-N 2.89Å; K631-G634 PolarHBondContact O-N 2.84Å; K631-G634 VanDerWaalsContact O-N 3.14Å; K632-G634 PolarHBondContact O-N 3.15Å
635F87.6Confident84.4Confident2 Ų234.9 Ų34.91%0.00918%0.176CC..EExtended strand (participates in β ladder)trans-105.4121.8179.8-58.1-79.1000112.1P518 L630 K631 A633 L637 V665 L668 E669 F672P518-F635 HydrophobicContact CB-CE1 4.26Å; P518-F635 HydrophobicContact CB-CE2 4.2Å; P518-F635 HydrophobicContact CB-CZ 3.7Å; P518-F635 HydrophobicContact CG-CE1 4.36Å; P518-F635 HydrophobicContact CG-CZ 4.2Å; L630-F635 CarbonylContact C-O 3.54Å; L630-F635 HydrophobicContact CB-CB 4.44Å; L630-F635 HydrophobicContact CD2-CD2 4.38Å; L630-F635 WeakPolarHBondContact O-CA 3.27Å; L630-F635 WeakPolarHBondContact O-CB 3.12Å; L630-F635 PolarHBondContact O-N 2.97Å; K631-F635 VanDerWaalsContact CA-O 3.31Å; K631-F635 WeakPolarHBondContact CA-O 3.42Å; K631-F635 PolarHBondContact N-O 2.94Å; A633-F635 HydrophobicContact CB-CD2 4.04Å; A633-F635 HydrophobicContact CB-CE2 4.28Å; F635-L637 HydrophobicContact CB-CD1 4.33Å; F635-L637 HydrophobicContact CB-CD2 4.24Å; F635-L637 HydrophobicContact CB-CG 4.09Å; F635-V665 HydrophobicContact CE2-CG1 4.05Å; F635-L668 HydrophobicContact CD1-CB 4.41Å; F635-L668 HydrophobicContact CE1-CB 3.98Å; F635-L668 HydrophobicContact CZ-CB 4.07Å; F635-E669 HydrophobicContact CZ-CB 4.21Å; F635-F672 AromaticContact CD1-CD2 3.9Å; F635-F672 HydrophobicContact CD1-CD2 3.9Å; F635-F672 AromaticContact CD1-CE2 3.67Å; F635-F672 HydrophobicContact CD1-CE2 3.67Å; F635-F672 HydrophobicContact CD1-CZ 4.5Å; F635-F672 AromaticContact CE1-CD2 3.72Å; F635-F672 HydrophobicContact CE1-CD2 3.72Å; F635-F672 HydrophobicContact CE1-CE2 4Å
636I83.8Confident84.4Confident91 Ų9133.4 Ų33.447%0.46717%0.171SC..EExtended strand (participates in β ladder)trans-103.5112.5167.8-57.2174.8000106.3V514 A515V514-I636 CarbonylContact C-O 3.57Å; V514-I636 VanDerWaalsContact CA-O 3.29Å; V514-I636 WeakPolarHBondContact CA-O 3.23Å; A515-I636 HydrophobicContact CB-CB 4.44Å; A515-I636 PolarHBondContact N-O 2.73Å; A515-I636 PolarHBondContact O-N 3.21Å; A515-I636 VanDerWaalsContact O-O 3.11Å
637L84.8Confident84.3Confident9 Ų937.7 Ų37.75%0.04719%0.192CC..  trans-125.8147.3-174.9-50.4173.5000110.4V514 L630 F635 V641 Q642 I645 L668 F672V514-L637 HydrophobicContact CG1-CD2 4.13Å; L630-L637 HydrophobicContact CD1-CD1 4Å; F635-L637 HydrophobicContact CB-CD1 4.33Å; F635-L637 HydrophobicContact CB-CD2 4.24Å; F635-L637 HydrophobicContact CB-CG 4.09Å; L637-V641 HydrophobicContact CB-CB 4.23Å; L637-V641 HydrophobicContact CB-CG1 4.13Å; L637-V641 HydrophobicContact CD1-CG1 3.9Å; L637-V641 HydrophobicContact CD2-CG1 4.26Å; L637-V641 HydrophobicContact CG-CG1 4.33Å; L637-Q642 HydrophobicContact CB-CG 4.26Å; L637-I645 HydrophobicContact CD1-CD1 3.52Å; L637-L668 HydrophobicContact CD1-CD1 3.9Å; L637-L668 HydrophobicContact CD1-CD2 4.29Å; L637-F672 HydrophobicContact CD2-CE2 3.98Å; L637-F672 HydrophobicContact CD2-CZ 4Å
638N83.1Confident84.4Confident15 Ų1543.6 Ų43.68%0.0821%0.214CC..  trans-77.7167.6177.173.215.9000113G511 V514 Q640 V641 Q642G511-N638 WeakPolarHBondContact O-CA 2.9Å; G511-N638 WeakPolarHBondContact O-CB 3.41Å; V514-N638 HydrophobicContact CG2-CB 4.14Å; N638-Q640 PolarHBondContact O-N 3.46Å; N638-Q640 PolarHBondContact OD1-N 3.36Å; N638-V641 PolarHBondContact O-N 2.94Å; N638-V641 WeakPolarHBondContact OD1-CG2 3.43Å; N638-V641 PolarHBondContact OD1-N 2.94Å; N638-Q642 VanDerWaalsContact O-CG 3.3Å; N638-Q642 WeakPolarHBondContact O-CG 3.25Å; N638-Q642 PolarHBondContact O-N 2.95Å
639N80.1Confident84.4Confident7 Ų742.9 Ų42.94%0.03721%0.206CC..Hα-helixtrans-57.8-35.3-177.7-65.1-37.6000112.6T370 E509 R627 Q642 D643T370-N639 HydrophobicContact CG2-CB 4.39Å; E509-N639 PolarHBondContact OE1-ND2 3.28Å; R627-N639 PolarHBondContact NH1-OD1 2.75Å; R627-N639 PolarHBondContact NH2-OD1 3.36Å; N639-Q642 PolarHBondContact O-N 3.48Å; N639-D643 WeakPolarHBondContact O-CB 3.45Å; N639-D643 PolarHBondContact O-N 3.34Å
640Q80.6Confident84.3Confident93 Ų9344.1 Ų44.144%0.43522%0.216SC..Hα-helixtrans-65.2-42.8179.5-63-177.81.900112.1N638 I644N638-Q640 PolarHBondContact O-N 3.46Å; N638-Q640 PolarHBondContact OD1-N 3.36Å; Q640-I644 WeakPolarHBondContact O-CD1 3.2Å; Q640-I644 VanDerWaalsContact O-CG1 3.31Å; Q640-I644 WeakPolarHBondContact O-CG1 3.25Å; Q640-I644 PolarHBondContact O-N 3.42Å
641V84.3Confident83.8Confident42 Ų4246.9 Ų46.926%0.25524%0.235SC..Hα-helixtrans-70.8-42177.7176.10000110.5L637 N638 D643 I644 I645L637-V641 HydrophobicContact CB-CB 4.23Å; L637-V641 HydrophobicContact CB-CG1 4.13Å; L637-V641 HydrophobicContact CD1-CG1 3.9Å; L637-V641 HydrophobicContact CD2-CG1 4.26Å; L637-V641 HydrophobicContact CG-CG1 4.33Å; N638-V641 PolarHBondContact O-N 2.94Å; N638-V641 WeakPolarHBondContact OD1-CG2 3.43Å; N638-V641 PolarHBondContact OD1-N 2.94Å; V641-D643 VanDerWaalsContact C-N 3.34Å; V641-D643 PolarHBondContact O-N 3.19Å; V641-I644 WeakPolarHBondContact O-CB 3.23Å; V641-I644 PolarHBondContact O-N 2.91Å; V641-I644 VanDerWaalsContact O-N 3.11Å; V641-I645 HydrophobicContact CG1-CD1 3.97Å; V641-I645 HydrophobicContact CG1-CG1 4.49Å; V641-I645 WeakPolarHBondContact O-CG1 3.37Å; V641-I645 PolarHBondContact O-N 3.27Å
642Q82.6Confident83.1Confident11 Ų1146.6 Ų46.65%0.05125%0.249CC..Hα-helixtrans-58.8-44.1176.3-67.9-71.9-7.100111.9L637 N638 N639 I644 I645 A646L637-Q642 HydrophobicContact CB-CG 4.26Å; N638-Q642 VanDerWaalsContact O-CG 3.3Å; N638-Q642 WeakPolarHBondContact O-CG 3.25Å; N638-Q642 PolarHBondContact O-N 2.95Å; N639-Q642 PolarHBondContact O-N 3.48Å; Q642-I644 VanDerWaalsContact C-N 3.29Å; Q642-I644 PolarHBondContact O-N 2.9Å; Q642-I645 WeakPolarHBondContact O-CB 3.43Å; Q642-I645 PolarHBondContact O-N 3.02Å; Q642-A646 PolarHBondContact O-N 3.45Å
643D80.4Confident82.6Confident12 Ų1250.4 Ų50.46%0.06427%0.268CS..Hα-helixtrans-60.1-38175.1-83.85.3000112.3T366 S369 T370 N639 V641 M647T366-D643 PolarHBondContact OG1-OD2 2.86Å; S369-D643 VanDerWaalsContact CB-OD1 3.25Å; S369-D643 WeakPolarHBondContact CB-OD1 3.18Å; S369-D643 PolarHBondContact OG-OD1 3.09Å; T370-D643 WeakPolarHBondContact CG2-OD1 3.36Å; T370-D643 PolarHBondContact OG1-OD1 3.21Å; N639-D643 WeakPolarHBondContact O-CB 3.45Å; N639-D643 PolarHBondContact O-N 3.34Å; V641-D643 VanDerWaalsContact C-N 3.34Å; V641-D643 PolarHBondContact O-N 3.19Å; D643-M647 HydrophobicContact CB-CE 4.32Å; D643-M647 WeakPolarHBondContact O-CB 3.39Å; D643-M647 VanDerWaalsContact O-CG 3.25Å; D643-M647 WeakPolarHBondContact O-CG 3.36Å; D643-M647 PolarHBondContact O-N 3.42Å
644I83.6Confident82.2Confident75 Ų7552.5 Ų52.539%0.38528%0.279SS..Hα-helixtrans-68-40.4177.3-68.6165000110.7Q640 V641 Q642 M647 R648Q640-I644 WeakPolarHBondContact O-CD1 3.2Å; Q640-I644 VanDerWaalsContact O-CG1 3.31Å; Q640-I644 WeakPolarHBondContact O-CG1 3.25Å; Q640-I644 PolarHBondContact O-N 3.42Å; V641-I644 WeakPolarHBondContact O-CB 3.23Å; V641-I644 PolarHBondContact O-N 2.91Å; V641-I644 VanDerWaalsContact O-N 3.11Å; Q642-I644 VanDerWaalsContact C-N 3.29Å; Q642-I644 PolarHBondContact O-N 2.9Å; I644-M647 PolarHBondContact O-N 2.84Å; I644-R648 VanDerWaalsContact O-CB 3.27Å; I644-R648 WeakPolarHBondContact O-CB 3.4Å; I644-R648 PolarHBondContact O-N 2.87Å
645I86.1Confident82Confident8 Ų851.9 Ų51.94%0.04127%0.273CS..Hα-helixtrans-62.3-50.5177.5-69.9167.5000109.7M626 L630 L637 V641 Q642 M647 R648 Y649 C664 L668M626-I645 HydrophobicContact CE-CG2 3.7Å; M626-I645 HydrophobicContact CG-CG2 4.18Å; L630-I645 HydrophobicContact CD1-CD1 3.77Å; L630-I645 HydrophobicContact CD1-CG2 4.42Å; L637-I645 HydrophobicContact CD1-CD1 3.52Å; V641-I645 HydrophobicContact CG1-CD1 3.97Å; V641-I645 HydrophobicContact CG1-CG1 4.49Å; V641-I645 WeakPolarHBondContact O-CG1 3.37Å; V641-I645 PolarHBondContact O-N 3.27Å; Q642-I645 WeakPolarHBondContact O-CB 3.43Å; Q642-I645 PolarHBondContact O-N 3.02Å; I645-M647 PolarHBondContact O-N 3.34Å; I645-R648 PolarHBondContact O-N 3.28Å; I645-Y649 HydrophobicContact CG2-CD2 4.16Å; I645-Y649 WeakPolarHBondContact O-CD2 3.37Å; I645-Y649 PolarHBondContact O-N 2.94Å; I645-C664 VanDerWaalsContact CG2-SG 3.52Å; I645-L668 HydrophobicContact CD1-CD1 3.92Å; I645-L668 HydrophobicContact CD1-CD2 4.46Å
646A83.3Confident81.9Confident8 Ų851.8 Ų51.87%0.06627%0.272CS..Hα-helixtrans-58.1-46.7177.200000111.6A623 Q642 R648 A650A623-A646 HydrophobicContact CB-CB 4.08Å; Q642-A646 PolarHBondContact O-N 3.45Å; A646-R648 VanDerWaalsContact C-N 3.3Å; A646-R648 PolarHBondContact O-N 2.88Å; A646-A650 WeakPolarHBondContact O-CB 3.42Å; A646-A650 PolarHBondContact O-N 3.24Å
647M82.1Confident82Confident92 Ų9251.2 Ų51.245%0.45327%0.27SS..Hα-helixtrans-65.1-29.8179-73.2177.9-155.100114.3T366 D643 I644 I645T366-M647 HydrophobicContact CG2-CE 3.52Å; D643-M647 HydrophobicContact CB-CE 4.32Å; D643-M647 WeakPolarHBondContact O-CB 3.39Å; D643-M647 VanDerWaalsContact O-CG 3.25Å; D643-M647 WeakPolarHBondContact O-CG 3.36Å; D643-M647 PolarHBondContact O-N 3.42Å; I644-M647 PolarHBondContact O-N 2.84Å; I645-M647 PolarHBondContact O-N 3.34Å
648R85.1Confident82Confident153 Ų15351.3 Ų51.358%0.57727%0.27SS*.Hα-helixtrans-89.7-39-174.1-177.9173.2-178.3119.1-2112.6I644 I645 A646I644-R648 VanDerWaalsContact O-CB 3.27Å; I644-R648 WeakPolarHBondContact O-CB 3.4Å; I644-R648 PolarHBondContact O-N 2.87Å; I645-R648 PolarHBondContact O-N 3.28Å; A646-R648 VanDerWaalsContact C-N 3.3Å; A646-R648 PolarHBondContact O-N 2.88Å
649Y85.3Confident82.2Confident40 Ų4051.5 Ų51.516%0.15727%0.271CS..Hα-helixtrans-109.1-16.6-169.5-63.7-80.8000113.5I645 G660 A663 C664 R667I645-Y649 HydrophobicContact CG2-CD2 4.16Å; I645-Y649 WeakPolarHBondContact O-CD2 3.37Å; I645-Y649 PolarHBondContact O-N 2.94Å; Y649-G660 VanDerWaalsContact CD1-O 3.3Å; Y649-G660 WeakPolarHBondContact CD1-O 3.35Å; Y649-A663 HydrophobicContact CD1-CB 4.4Å; Y649-A663 HydrophobicContact CE1-CB 3.82Å; Y649-A663 PolarHBondContact OH-O 3.48Å; Y649-C664 HydrophobicContact CD1-CB 4.12Å; Y649-C664 HydrophobicContact CD2-CB 3.77Å; Y649-C664 HydrophobicContact CE1-CB 4.03Å; Y649-C664 HydrophobicContact CE2-CB 3.68Å; Y649-C664 HydrophobicContact CG-CB 3.99Å; Y649-R667 VanDerWaalsContact OH-CD 3.29Å; Y649-R667 WeakPolarHBondContact OH-CD 3.48Å
650A83.8Confident82.5Confident25 Ų2551.5 Ų51.521%0.20727%0.273CS..  trans-77141.7174.100000111.5A646 I656A646-A650 WeakPolarHBondContact O-CB 3.42Å; A646-A650 PolarHBondContact O-N 3.24Å; A650-I656 HydrophobicContact CB-CD1 4.47Å; A650-I656 HydrophobicContact CB-CG1 3.86Å
651S78.5Confident82.9Confident59 Ų5947.1 Ų47.141%0.41325%0.252SS..  trans-71176.4172.267.30000112.1E653 L654 G655S651-E653 PolarHBondContact O-N 3.05Å; S651-E653 VanDerWaalsContact O-N 3.12Å; S651-E653 PolarHBondContact OG-N 2.9Å; S651-L654 PolarHBondContact O-N 3.21Å; S651-G655 VanDerWaalsContact CB-O 3.29Å; S651-G655 WeakPolarHBondContact CB-O 3.49Å; S651-G655 PolarHBondContact N-O 3.05Å; S651-G655 PolarHBondContact OG-N 3.2Å; S651-G655 PolarHBondContact OG-O 3.31Å
652S70.8Confident83.1Confident121 Ų12145.1 Ų45.185%0.84624%0.24SC*.THydrogen-bonded Turntrans-59.2-20.9173.450.20000113.8
653E74.9Confident83.4Confident172 Ų17245.1 Ų45.180%0.80424%0.243SC*.THydrogen-bonded Turntrans-93.87.2177.5-61.4-172.6174.600112.8S651 G655S651-E653 PolarHBondContact O-N 3.05Å; S651-E653 VanDerWaalsContact O-N 3.12Å; S651-E653 PolarHBondContact OG-N 2.9Å; E653-G655 PolarHBondContact O-N 2.92Å
654L78.2Confident83.9Confident46 Ų4644.6 Ų44.624%0.24124%0.24CC..SBendtrans66.37-176.7-51.4170.6000114.8R367 S651R367-L654 HydrophobicContact CG-CD1 3.86Å; R367-L654 HydrophobicContact CG-CD2 4.4Å; S651-L654 PolarHBondContact O-N 3.21Å
655G83.4Confident84.2Confident9 Ų941 Ų419%0.09322%0.222CC..EExtended strand (participates in β ladder)trans-87.2142.6170.100000111.7I621 S651 E653I621-G655 CarbonylContact O-C 3.47Å; I621-G655 WeakPolarHBondContact O-CA 3.33Å; S651-G655 VanDerWaalsContact CB-O 3.29Å; S651-G655 WeakPolarHBondContact CB-O 3.49Å; S651-G655 PolarHBondContact N-O 3.05Å; S651-G655 PolarHBondContact OG-N 3.2Å; S651-G655 PolarHBondContact OG-O 3.31Å; E653-G655 PolarHBondContact O-N 2.92Å
656I85.8Confident84.4Confident0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-109.9124.4173.6-59.8165.8000106.5Y610 T620 I621 M626 A650 F661Y610-I656 PolarHBondContact OH-O 3.23Å; Y610-I656 VanDerWaalsContact OH-O 3.06Å; T620-I656 CarbonylContact C-O 3.58Å; T620-I656 VanDerWaalsContact CA-O 3.31Å; T620-I656 WeakPolarHBondContact CA-O 3.33Å; I621-I656 HydrophobicContact CG1-CB 4.06Å; I621-I656 PolarHBondContact N-O 3.17Å; I621-I656 PolarHBondContact O-N 3.48Å; M626-I656 HydrophobicContact CB-CD1 3.87Å; M626-I656 HydrophobicContact CG-CD1 3.77Å; M626-I656 HydrophobicContact SD-CD1 4.42Å; A650-I656 HydrophobicContact CB-CD1 4.47Å; A650-I656 HydrophobicContact CB-CG1 3.86Å; I656-F661 HydrophobicContact CG2-CB 4.38Å
657D86Confident84.6Confident78 Ų7842.7 Ų42.742%0.41723%0.225SC..EExtended strand (participates in β ladder)trans-81.5173.8174.160.27.8000111.5Y610 D659 G660 F661Y610-D657 WeakPolarHBondContact OH-CA 3.4Å; D657-D659 VanDerWaalsContact C-N 3.28Å; D657-D659 PolarHBondContact O-N 2.92Å; D657-G660 PolarHBondContact O-N 3.36Å; D657-G660 WeakPolarHBondContact OD1-CA 3.42Å; D657-G660 PolarHBondContact OD1-N 3.04Å; D657-F661 PolarHBondContact O-N 3.3Å
658F85.3Confident85Confident11 Ų1139.2 Ų39.25%0.04821%0.209CC..Hα-helixtrans-63.4-34.3-178.7-175.1-116.7000112.7L560 V570 F571 L607 Y610 F661 M662L560-F658 HydrophobicContact CD1-CE1 4.43Å; V570-F658 HydrophobicContact CG1-CD1 3.79Å; F571-F658 HydrophobicContact CE1-CD1 4.26Å; F571-F658 HydrophobicContact CE1-CE1 4.14Å; F571-F658 HydrophobicContact CE2-CE1 4.49Å; F571-F658 HydrophobicContact CZ-CD1 4.1Å; F571-F658 AromaticContact CZ-CE1 3.62Å; F571-F658 HydrophobicContact CZ-CE1 3.62Å; L607-F658 HydrophobicContact CB-CE2 4.09Å; L607-F658 HydrophobicContact CB-CZ 3.78Å; L607-F658 HydrophobicContact CD1-CD1 4.39Å; L607-F658 HydrophobicContact CD1-CD2 4.22Å; L607-F658 HydrophobicContact CD1-CE1 4.01Å; L607-F658 HydrophobicContact CD1-CE2 3.85Å; L607-F658 HydrophobicContact CD1-CG 4.48Å; L607-F658 HydrophobicContact CD1-CZ 3.73Å; L607-F658 HydrophobicContact CG-CZ 4.34Å; Y610-F658 HydrophobicContact CD1-CB 4.45Å; Y610-F658 AromaticContact CD1-CD2 3.94Å; Y610-F658 HydrophobicContact CD1-CD2 3.94Å; Y610-F658 AromaticContact CD2-CD2 3.83Å; Y610-F658 HydrophobicContact CD2-CD2 3.83Å; Y610-F658 HydrophobicContact CE1-CB 4.16Å; Y610-F658 HydrophobicContact CE1-CD2 4.46Å; Y610-F658 HydrophobicContact CE2-CB 4.3Å; Y610-F658 HydrophobicContact CE2-CD2 4.34Å; Y610-F658 AromaticContact CG-CD2 3.59Å; Y610-F658 HydrophobicContact CG-CD2 3.59Å; Y610-F658 HydrophobicContact CG-CE2 4.26Å; Y610-F658 PolarHBondContact OH-N 3.26Å; F658-F661 HydrophobicContact CD2-CD1 4.23Å; F658-F661 HydrophobicContact CE2-CD1 4.19Å; F658-F661 PolarHBondContact O-N 3.07Å; F658-M662 HydrophobicContact CD1-CG 4.28Å; F658-M662 HydrophobicContact CD2-CG 4.23Å; F658-M662 HydrophobicContact CE1-CG 3.84Å; F658-M662 HydrophobicContact CE2-CG 3.76Å; F658-M662 HydrophobicContact CE2-SD 4.13Å; F658-M662 HydrophobicContact CG-CG 4.48Å; F658-M662 HydrophobicContact CZ-CG 3.55Å; F658-M662 HydrophobicContact CZ-SD 3.89Å; F658-M662 WeakPolarHBondContact O-CB 3.35Å; F658-M662 WeakPolarHBondContact O-CG 3.4Å; F658-M662 PolarHBondContact O-N 3.28Å
659D86.6Confident85.2Confident19 Ų1931.9 Ų31.910%0.10218%0.181CC..Hα-helixtrans-59.9-50.9174.1-167.325.8000111.2V570 F571 N572 T575 D657 F661 M662 A663V570-D659 WeakPolarHBondContact O-CB 3.34Å; F571-D659 WeakPolarHBondContact CD1-OD1 3.09Å; N572-D659 WeakPolarHBondContact CB-OD2 3.42Å; N572-D659 VanDerWaalsContact CG-OD2 3.28Å; N572-D659 PolarHBondContact N-OD1 3.35Å; N572-D659 PolarHBondContact N-OD2 3.2Å; N572-D659 PolarHBondContact ND2-OD2 3.17Å; T575-D659 VanDerWaalsContact CB-OD1 3.26Å; T575-D659 WeakPolarHBondContact CB-OD1 3.34Å; T575-D659 WeakPolarHBondContact CG2-OD1 3.19Å; T575-D659 PolarHBondContact OG1-OD1 3.24Å; D657-D659 VanDerWaalsContact C-N 3.28Å; D657-D659 PolarHBondContact O-N 2.92Å; D659-F661 VanDerWaalsContact C-N 3.33Å; D659-F661 PolarHBondContact O-N 2.91Å; D659-M662 PolarHBondContact O-N 3.32Å; D659-A663 VanDerWaalsContact O-CB 3.25Å; D659-A663 WeakPolarHBondContact O-CB 3.25Å; D659-A663 PolarHBondContact O-N 3.02Å
660G87.1Confident85.2Confident8 Ų831.1 Ų31.18%0.08218%0.179CC..Hα-helixtrans-61.9-40.2178.100000112.3Y649 D657 C664Y649-G660 VanDerWaalsContact CD1-O 3.3Å; Y649-G660 WeakPolarHBondContact CD1-O 3.35Å; D657-G660 PolarHBondContact O-N 3.36Å; D657-G660 WeakPolarHBondContact OD1-CA 3.42Å; D657-G660 PolarHBondContact OD1-N 3.04Å; G660-C664 WeakPolarHBondContact O-CB 3.41Å; G660-C664 PolarHBondContact O-N 3.19Å
661F88.7Confident85.4Confident0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-60-52.3173.9177.6-113.5000111.5I609 Y610 I621 M626 A629 I656 D657 F658 D659 C664 V665I609-F661 HydrophobicContact CG2-CZ 4.32Å; Y610-F661 HydrophobicContact CD2-CB 3.84Å; Y610-F661 AromaticContact CD2-CD1 3.77Å; Y610-F661 HydrophobicContact CD2-CD1 3.77Å; Y610-F661 HydrophobicContact CD2-CD2 4.49Å; Y610-F661 HydrophobicContact CD2-CE1 4.47Å; Y610-F661 AromaticContact CD2-CG 3.77Å; Y610-F661 HydrophobicContact CD2-CG 3.77Å; Y610-F661 HydrophobicContact CE2-CB 3.94Å; Y610-F661 HydrophobicContact CE2-CG 4.35Å; Y610-F661 HydrophobicContact CG-CD1 4.43Å; I621-F661 HydrophobicContact CD1-CD2 4.02Å; I621-F661 HydrophobicContact CD1-CG 4.48Å; M626-F661 HydrophobicContact CE-CD2 3.76Å; M626-F661 HydrophobicContact CE-CE2 4.27Å; M626-F661 HydrophobicContact SD-CD2 3.39Å; M626-F661 WeakPolarHBondContact SD-CD2 3.48Å; M626-F661 HydrophobicContact SD-CE2 3.71Å; A629-F661 HydrophobicContact CB-CE2 3.66Å; A629-F661 HydrophobicContact CB-CZ 4.03Å; I656-F661 HydrophobicContact CG2-CB 4.38Å; D657-F661 PolarHBondContact O-N 3.3Å; F658-F661 HydrophobicContact CD2-CD1 4.23Å; F658-F661 HydrophobicContact CE2-CD1 4.19Å; F658-F661 PolarHBondContact O-N 3.07Å; D659-F661 VanDerWaalsContact C-N 3.33Å; D659-F661 PolarHBondContact O-N 2.91Å; F661-C664 WeakPolarHBondContact O-CB 3.1Å; F661-C664 PolarHBondContact O-N 3.48Å; F661-V665 HydrophobicContact CD2-CG2 4.21Å; F661-V665 HydrophobicContact CE1-CG2 4.25Å; F661-V665 HydrophobicContact CE2-CG2 3.77Å; F661-V665 HydrophobicContact CZ-CG2 3.8Å; F661-V665 WeakPolarHBondContact O-CG2 3.42Å; F661-V665 PolarHBondContact O-N 3.46Å
662M88.6Confident85.9Confident0 Ų032.9 Ų32.90%018%0.179CC..Hα-helixtrans-62.9-46.5-180-78.2-62.5-57.100112F571 T575 M579 I603 Y606 F658 D659 C664 V665 I666F571-M662 HydrophobicContact CE1-CB 3.74Å; F571-M662 HydrophobicContact CE1-CG 3.75Å; F571-M662 HydrophobicContact CZ-CB 4.48Å; F571-M662 HydrophobicContact CZ-CG 4.06Å; T575-M662 HydrophobicContact CG2-CB 4.48Å; M579-M662 HydrophobicContact CE-CB 4.22Å; M579-M662 HydrophobicContact CE-CE 3.6Å; I603-M662 HydrophobicContact CB-CE 4.46Å; I603-M662 HydrophobicContact CG1-CE 3.69Å; Y606-M662 WeakPolarHBondContact CB-SD 3.49Å; Y606-M662 HydrophobicContact CD2-CE 3.94Å; Y606-M662 HydrophobicContact CD2-SD 3.73Å; Y606-M662 HydrophobicContact CG-SD 3.99Å; F658-M662 HydrophobicContact CD1-CG 4.28Å; F658-M662 HydrophobicContact CD2-CG 4.23Å; F658-M662 HydrophobicContact CE1-CG 3.84Å; F658-M662 HydrophobicContact CE2-CG 3.76Å; F658-M662 HydrophobicContact CE2-SD 4.13Å; F658-M662 HydrophobicContact CG-CG 4.48Å; F658-M662 HydrophobicContact CZ-CG 3.55Å; F658-M662 HydrophobicContact CZ-SD 3.89Å; F658-M662 WeakPolarHBondContact O-CB 3.35Å; F658-M662 WeakPolarHBondContact O-CG 3.4Å; F658-M662 PolarHBondContact O-N 3.28Å; D659-M662 PolarHBondContact O-N 3.32Å; M662-C664 PolarHBondContact O-N 3.18Å; M662-V665 PolarHBondContact O-N 3.14Å; M662-I666 HydrophobicContact CE-CD1 4.31Å; M662-I666 HydrophobicContact CE-CG1 4.13Å; M662-I666 WeakPolarHBondContact O-CB 3.24Å; M662-I666 VanDerWaalsContact O-CG1 3.22Å; M662-I666 WeakPolarHBondContact O-CG1 3.48Å; M662-I666 PolarHBondContact O-N 3.48Å
663A88.6Confident86.6Confident12 Ų1230 Ų3010%0.09915%0.151CC..Hα-helixtrans-59.1-34.3175.900000112.1T575 Y649 D659 R667T575-A663 HydrophobicContact CG2-CB 3.95Å; Y649-A663 HydrophobicContact CD1-CB 4.4Å; Y649-A663 HydrophobicContact CE1-CB 3.82Å; Y649-A663 PolarHBondContact OH-O 3.48Å; D659-A663 VanDerWaalsContact O-CB 3.25Å; D659-A663 WeakPolarHBondContact O-CB 3.25Å; D659-A663 PolarHBondContact O-N 3.02Å; A663-R667 WeakPolarHBondContact O-CB 3.33Å; A663-R667 PolarHBondContact O-N 2.79Å
664C90.4Very high87.1Confident1 Ų124.6 Ų24.61%0.00713%0.127CC..Hα-helixtrans-70.3-50.1174.9-1780000112.1M626 I645 Y649 G660 F661 M662 R667 L668M626-C664 HydrophobicContact CE-CB 3.67Å; M626-C664 VanDerWaalsContact CE-SG 3.55Å; I645-C664 VanDerWaalsContact CG2-SG 3.52Å; Y649-C664 HydrophobicContact CD1-CB 4.12Å; Y649-C664 HydrophobicContact CD2-CB 3.77Å; Y649-C664 HydrophobicContact CE1-CB 4.03Å; Y649-C664 HydrophobicContact CE2-CB 3.68Å; Y649-C664 HydrophobicContact CG-CB 3.99Å; G660-C664 WeakPolarHBondContact O-CB 3.41Å; G660-C664 PolarHBondContact O-N 3.19Å; F661-C664 WeakPolarHBondContact O-CB 3.1Å; F661-C664 PolarHBondContact O-N 3.48Å; M662-C664 PolarHBondContact O-N 3.18Å; C664-R667 PolarHBondContact O-N 3.38Å; C664-L668 WeakPolarHBondContact O-CB 3.4Å; C664-L668 WeakPolarHBondContact O-CG 3.5Å; C664-L668 PolarHBondContact O-N 3.33Å
665V90.3Very high87.6Confident0 Ų026.8 Ų26.80%013%0.134CC..Hα-helixtrans-64.2-46.2-175.6169.20000111.5Y606 L630 F635 F661 M662 R667 L668 E669Y606-V665 HydrophobicContact CD1-CG1 4.08Å; Y606-V665 HydrophobicContact CD2-CG1 3.97Å; Y606-V665 HydrophobicContact CE1-CG1 3.63Å; Y606-V665 HydrophobicContact CE2-CG1 3.48Å; Y606-V665 VanDerWaalsContact CE2-CG1 3.48Å; Y606-V665 HydrophobicContact CG-CG1 4.27Å; L630-V665 HydrophobicContact CD2-CG2 3.92Å; F635-V665 HydrophobicContact CE2-CG1 4.05Å; F661-V665 HydrophobicContact CD2-CG2 4.21Å; F661-V665 HydrophobicContact CE1-CG2 4.25Å; F661-V665 HydrophobicContact CE2-CG2 3.77Å; F661-V665 HydrophobicContact CZ-CG2 3.8Å; F661-V665 WeakPolarHBondContact O-CG2 3.42Å; F661-V665 PolarHBondContact O-N 3.46Å; M662-V665 PolarHBondContact O-N 3.14Å; V665-R667 PolarHBondContact O-N 3.05Å; V665-L668 PolarHBondContact O-N 3.12Å; V665-E669 PolarHBondContact O-N 2.92Å
666I88.8Confident87.8Confident0 Ų033.2 Ų33.20%016%0.156CC..Hα-helixtrans-61.2-46.4177.1-65.8-67.3000110.5E578 M579 L582 M662 L668 E669 N670E578-I666 HydrophobicContact CB-CG2 4.16Å; E578-I666 WeakPolarHBondContact O-CG2 3.15Å; M579-I666 HydrophobicContact CG-CD1 4.39Å; M579-I666 HydrophobicContact CG-CG1 4.12Å; M579-I666 HydrophobicContact CG-CG2 4.37Å; L582-I666 HydrophobicContact CB-CG2 4.1Å; L582-I666 HydrophobicContact CD2-CD1 3.5Å; L582-I666 HydrophobicContact CD2-CG2 4Å; M662-I666 HydrophobicContact CE-CD1 4.31Å; M662-I666 HydrophobicContact CE-CG1 4.13Å; M662-I666 WeakPolarHBondContact O-CB 3.24Å; M662-I666 VanDerWaalsContact O-CG1 3.22Å; M662-I666 WeakPolarHBondContact O-CG1 3.48Å; M662-I666 PolarHBondContact O-N 3.48Å; I666-L668 PolarHBondContact O-N 2.89Å; I666-E669 PolarHBondContact O-N 2.87Å; I666-N670 PolarHBondContact O-N 2.97Å
667R88.9Confident87.7Confident50 Ų5039.4 Ų39.419%0.18919%0.188CC..Hα-helixtrans-64.3-39.3178.4-170.4174.3-174.510413112.3E578 Y649 A663 C664 V665 N670 L671E578-R667 IonicContact OE1-CZ 3.11Å; E578-R667 IonicContact OE1-NH1 2.62Å; E578-R667 PolarHBondContact OE1-NH1 3.12Å; E578-R667 IonicContact OE2-NH1 3.96Å; Y649-R667 VanDerWaalsContact OH-CD 3.29Å; Y649-R667 WeakPolarHBondContact OH-CD 3.48Å; A663-R667 WeakPolarHBondContact O-CB 3.33Å; A663-R667 PolarHBondContact O-N 2.79Å; C664-R667 PolarHBondContact O-N 3.38Å; V665-R667 PolarHBondContact O-N 3.05Å; R667-N670 PolarHBondContact O-N 3.14Å; R667-L671 HydrophobicContact CG-CD1 4.26Å; R667-L671 VanDerWaalsContact O-CG 3.25Å; R667-L671 WeakPolarHBondContact O-CG 3.28Å; R667-L671 PolarHBondContact O-N 3.23Å
668L89.4Confident87.8Confident19 Ų1939.2 Ų39.210%0.09919%0.187CC..Hα-helixtrans-62.1-47.6174.3-78.7169.4000110.9L630 F635 L637 I645 C664 V665 I666 N670 L671 F672L630-L668 HydrophobicContact CD2-CD1 3.76Å; F635-L668 HydrophobicContact CD1-CB 4.41Å; F635-L668 HydrophobicContact CE1-CB 3.98Å; F635-L668 HydrophobicContact CZ-CB 4.07Å; L637-L668 HydrophobicContact CD1-CD1 3.9Å; L637-L668 HydrophobicContact CD1-CD2 4.29Å; I645-L668 HydrophobicContact CD1-CD1 3.92Å; I645-L668 HydrophobicContact CD1-CD2 4.46Å; C664-L668 WeakPolarHBondContact O-CB 3.4Å; C664-L668 WeakPolarHBondContact O-CG 3.5Å; C664-L668 PolarHBondContact O-N 3.33Å; V665-L668 PolarHBondContact O-N 3.12Å; I666-L668 PolarHBondContact O-N 2.89Å; L668-N670 VanDerWaalsContact C-N 3.33Å; L668-N670 PolarHBondContact O-N 2.98Å; L668-L671 PolarHBondContact O-N 3.31Å; L668-F672 VanDerWaalsContact O-CD2 3.27Å; L668-F672 WeakPolarHBondContact O-CD2 2.97Å; L668-F672 PolarHBondContact O-N 3.43Å
669E89.5Confident87.9Confident0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-57-46.5177.6-173172.6162.500111.7P518 L582 K602 F635 V665 I666 L671 F672 K673P518-E669 HydrophobicContact CB-CG 4.26Å; P518-E669 HydrophobicContact CG-CG 3.87Å; L582-E669 HydrophobicContact CD1-CB 4.08Å; L582-E669 HydrophobicContact CD1-CG 3.67Å; L582-E669 HydrophobicContact CD2-CB 4.43Å; L582-E669 HydrophobicContact CD2-CG 4.36Å; K602-E669 WeakPolarHBondContact CE-OE1 3.1Å; K602-E669 IonicContact NZ-OE1 2.75Å; K602-E669 PolarHBondContact NZ-OE1 2.99Å; K602-E669 IonicContact NZ-OE2 3.61Å; K602-E669 PolarHBondContact NZ-OE2 3.24Å; F635-E669 HydrophobicContact CZ-CB 4.21Å; V665-E669 PolarHBondContact O-N 2.92Å; I666-E669 PolarHBondContact O-N 2.87Å; E669-L671 PolarHBondContact O-N 2.84Å; E669-F672 PolarHBondContact O-N 3.11Å; E669-K673 HydrophobicContact CG-CD 4.25Å; E669-K673 HydrophobicContact CG-CG 4.5Å; E669-K673 WeakPolarHBondContact O-CG 3.48Å; E669-K673 PolarHBondContact O-N 2.95Å; E669-K673 WeakPolarHBondContact OE1-CE 3.37Å; E669-K673 IonicContact OE1-NZ 3.71Å; E669-K673 PolarHBondContact OE1-NZ 3.24Å
670N86.2Confident87.9Confident23 Ų2347.3 Ų47.312%0.12322%0.222CC..Hα-helixtrans-53.6-51.4174.3-83.7-19.6000112.1E578 L582 I666 R667 L668 F672 K673 M674E578-N670 PolarHBondContact O-ND2 2.74Å; L582-N670 WeakPolarHBondContact CA-OD1 3.47Å; L582-N670 WeakPolarHBondContact CB-OD1 3.48Å; L582-N670 WeakPolarHBondContact CD1-OD1 3.27Å; I666-N670 PolarHBondContact O-N 2.97Å; R667-N670 PolarHBondContact O-N 3.14Å; L668-N670 VanDerWaalsContact C-N 3.33Å; L668-N670 PolarHBondContact O-N 2.98Å; N670-F672 PolarHBondContact O-N 3.15Å; N670-K673 PolarHBondContact O-N 2.97Å; N670-M674 VanDerWaalsContact O-CB 3.26Å; N670-M674 WeakPolarHBondContact O-CB 3.48Å; N670-M674 PolarHBondContact O-N 3.01Å
671L88.6Confident87.8Confident87 Ų8753.3 Ų53.346%0.45525%0.252SS..Hα-helixtrans-64.8-38.9-178.2-68.2171.5000112.2R667 L668 E669 F675R667-L671 HydrophobicContact CG-CD1 4.26Å; R667-L671 VanDerWaalsContact O-CG 3.25Å; R667-L671 WeakPolarHBondContact O-CG 3.28Å; R667-L671 PolarHBondContact O-N 3.23Å; L668-L671 PolarHBondContact O-N 3.31Å; E669-L671 PolarHBondContact O-N 2.84Å; L671-F675 VanDerWaalsContact O-CB 3.27Å; L671-F675 WeakPolarHBondContact O-CB 3.23Å; L671-F675 PolarHBondContact O-N 3.08Å
672F88.3Confident87.6Confident34 Ų3461.9 Ų61.915%0.14929%0.292CS..Hα-helixtrans-67.2-44175.7-87.9-78.6000112.4V514 F635 L637 L668 E669 N670 F675 R676V514-F672 HydrophobicContact CG1-CE1 4.07Å; V514-F672 HydrophobicContact CG1-CZ 3.61Å; F635-F672 AromaticContact CD1-CD2 3.9Å; F635-F672 HydrophobicContact CD1-CD2 3.9Å; F635-F672 AromaticContact CD1-CE2 3.67Å; F635-F672 HydrophobicContact CD1-CE2 3.67Å; F635-F672 HydrophobicContact CD1-CZ 4.5Å; F635-F672 AromaticContact CE1-CD2 3.72Å; F635-F672 HydrophobicContact CE1-CD2 3.72Å; F635-F672 HydrophobicContact CE1-CE2 4Å; L637-F672 HydrophobicContact CD2-CE2 3.98Å; L637-F672 HydrophobicContact CD2-CZ 4Å; L668-F672 VanDerWaalsContact O-CD2 3.27Å; L668-F672 WeakPolarHBondContact O-CD2 2.97Å; L668-F672 PolarHBondContact O-N 3.43Å; E669-F672 PolarHBondContact O-N 3.11Å; N670-F672 PolarHBondContact O-N 3.15Å; F672-F675 PolarHBondContact O-N 3.27Å; F672-R676 WeakPolarHBondContact O-CB 3.32Å; F672-R676 VanDerWaalsContact O-CG 3.32Å; F672-R676 WeakPolarHBondContact O-CG 3.37Å; F672-R676 PolarHBondContact O-N 3.39Å
673K85.9Confident87.4Confident62 Ų6266.3 Ų66.327%0.2732%0.316SS..Hα-helixtrans-61.9-48.8176.5-75.6-177-179.6173.50110.9L582 E669 N670 F675 R676 L677L582-K673 HydrophobicContact CD1-CD 4.02Å; E669-K673 HydrophobicContact CG-CD 4.25Å; E669-K673 HydrophobicContact CG-CG 4.5Å; E669-K673 WeakPolarHBondContact O-CG 3.48Å; E669-K673 PolarHBondContact O-N 2.95Å; E669-K673 WeakPolarHBondContact OE1-CE 3.37Å; E669-K673 IonicContact OE1-NZ 3.71Å; E669-K673 PolarHBondContact OE1-NZ 3.24Å; N670-K673 PolarHBondContact O-N 2.97Å; K673-F675 PolarHBondContact O-N 3.12Å; K673-R676 PolarHBondContact O-N 3.01Å; K673-L677 VanDerWaalsContact O-CG 3.31Å; K673-L677 WeakPolarHBondContact O-CG 3.21Å; K673-L677 PolarHBondContact O-N 3.13Å
674M84.8Confident87.2Confident58 Ų5868 Ų6829%0.28634%0.335SS..Hα-helixtrans-58.5-47.2177.5-172.3-170.8-6400111.6N670 R676 L677 L678 C696N670-M674 VanDerWaalsContact O-CB 3.26Å; N670-M674 WeakPolarHBondContact O-CB 3.48Å; N670-M674 PolarHBondContact O-N 3.01Å; M674-R676 PolarHBondContact O-N 3.11Å; M674-L677 PolarHBondContact O-N 2.88Å; M674-L678 HydrophobicContact CG-CD1 3.92Å; M674-L678 VanDerWaalsContact O-CG 3.27Å; M674-L678 WeakPolarHBondContact O-CG 3.22Å; M674-L678 PolarHBondContact O-N 3.25Å; M674-L678 VanDerWaalsContact O-N 3.12Å; M674-C696 HydrophobicContact CE-CB 4.38Å; M674-C696 HydrophobicContact SD-CB 3.6Å; M674-C696 VanDerWaalsContact SD-CB 3.6Å; M674-C696 VanDerWaalsContact SD-SG 3.7Å
675F87.9Confident87Confident91 Ų9173.3 Ų73.340%0.39936%0.362SS..Hα-helixtrans-61.4-43.5178.8-169.5-84.5000112L671 F672 K673 L678 D679 V686L671-F675 VanDerWaalsContact O-CB 3.27Å; L671-F675 WeakPolarHBondContact O-CB 3.23Å; L671-F675 PolarHBondContact O-N 3.08Å; F672-F675 PolarHBondContact O-N 3.27Å; K673-F675 PolarHBondContact O-N 3.12Å; F675-L678 PolarHBondContact O-N 3.47Å; F675-D679 HydrophobicContact CD1-CB 4.29Å; F675-D679 HydrophobicContact CE1-CB 4.05Å; F675-D679 WeakPolarHBondContact O-CB 3.28Å; F675-D679 PolarHBondContact O-N 3.2Å; F675-V686 HydrophobicContact CD1-CG2 4.42Å; F675-V686 HydrophobicContact CD2-CG2 3.81Å; F675-V686 HydrophobicContact CE1-CG2 4.24Å; F675-V686 HydrophobicContact CE2-CB 4.28Å; F675-V686 HydrophobicContact CE2-CG2 3.62Å; F675-V686 HydrophobicContact CG-CG2 4.22Å; F675-V686 HydrophobicContact CZ-CG2 3.85Å
676R87.2Confident86.9Confident144 Ų14475.1 Ų75.154%0.54337%0.373SS..Hα-helixtrans-64.2-38.6177.2-76.1175.3174.4165.20.6113.4G516 F672 K673 M674 L678G516-R676 VanDerWaalsContact O-CZ 3.3Å; G516-R676 PolarHBondContact O-NH1 3.34Å; G516-R676 PolarHBondContact O-NH2 3.36Å; F672-R676 WeakPolarHBondContact O-CB 3.32Å; F672-R676 VanDerWaalsContact O-CG 3.32Å; F672-R676 WeakPolarHBondContact O-CG 3.37Å; F672-R676 PolarHBondContact O-N 3.39Å; K673-R676 PolarHBondContact O-N 3.01Å; M674-R676 PolarHBondContact O-N 3.11Å; R676-L678 VanDerWaalsContact C-N 3.26Å; R676-L678 PolarHBondContact O-N 2.89Å
677L85.3Confident86.8Confident131 Ų13183.8 Ų83.869%0.68641%0.413SS*.Hα-helixtrans-64.4-35.4176.7-74.7167.5000111.6K673 M674K673-L677 VanDerWaalsContact O-CG 3.31Å; K673-L677 WeakPolarHBondContact O-CG 3.21Å; K673-L677 PolarHBondContact O-N 3.13Å; M674-L677 PolarHBondContact O-N 2.88Å
678L86.9Confident86.9Confident73 Ų7384.3 Ų84.338%0.38242%0.42SS..Hα-helixtrans-84.9-32.3-178.5-63.8169.6000112.9M674 F675 R676 K680 V686 L688M674-L678 HydrophobicContact CG-CD1 3.92Å; M674-L678 VanDerWaalsContact O-CG 3.27Å; M674-L678 WeakPolarHBondContact O-CG 3.22Å; M674-L678 PolarHBondContact O-N 3.25Å; M674-L678 VanDerWaalsContact O-N 3.12Å; F675-L678 PolarHBondContact O-N 3.47Å; R676-L678 VanDerWaalsContact C-N 3.26Å; R676-L678 PolarHBondContact O-N 2.89Å; L678-K680 VanDerWaalsContact C-N 3.3Å; L678-K680 PolarHBondContact O-N 3.45Å; L678-V686 HydrophobicContact CB-CB 4.42Å; L678-V686 HydrophobicContact CB-CG1 3.57Å; L678-V686 HydrophobicContact CB-CG2 3.89Å; L678-V686 HydrophobicContact CD1-CG1 4.02Å; L678-V686 HydrophobicContact CG-CG1 4.36Å; L678-L688 HydrophobicContact CD1-CD2 4.17Å; L678-L688 HydrophobicContact CD2-CD2 4.43Å
679D88.9Confident87Confident18 Ų1886.1 Ų86.110%0.09643%0.434CS..  trans-83.266.5176.8-173.713000112.3F675 N681 Q682 N683 G684 V686F675-D679 HydrophobicContact CD1-CB 4.29Å; F675-D679 HydrophobicContact CE1-CB 4.05Å; F675-D679 WeakPolarHBondContact O-CB 3.28Å; F675-D679 PolarHBondContact O-N 3.2Å; D679-N681 PolarHBondContact O-N 2.98Å; D679-N681 VanDerWaalsContact O-N 3.13Å; D679-Q682 PolarHBondContact O-N 3.36Å; D679-Q682 VanDerWaalsContact O-N 3.16Å; D679-Q682 WeakPolarHBondContact OD1-CA 3.42Å; D679-Q682 PolarHBondContact OD1-N 3.06Å; D679-Q682 WeakPolarHBondContact OD2-CA 3.41Å; D679-N683 PolarHBondContact OD1-N 2.82Å; D679-N683 VanDerWaalsContact OD1-N 3.1Å; D679-N683 PolarHBondContact OD1-OD1 2.82Å; D679-N683 PolarHBondContact OD2-N 2.84Å; D679-G684 WeakPolarHBondContact OD2-CA 3.04Å; D679-G684 PolarHBondContact OD2-N 2.98Å; D679-V686 HydrophobicContact CB-CG2 4Å
680K84.6Confident86.9Confident182 Ų18292.3 Ų92.379%0.79147%0.466SS*.THydrogen-bonded Turntrans-59.1-25.6180-65.8-175.8179.8178.60113.8L678L678-K680 VanDerWaalsContact C-N 3.3Å; L678-K680 PolarHBondContact O-N 3.45Å
681N85.9Confident87Confident134 Ų13494.3 Ų94.372%0.71749%0.486SS*.THydrogen-bonded Turntrans-95.8-2.6-175.7-63.3-20.4000112.8D679 N683D679-N681 PolarHBondContact O-N 2.98Å; D679-N681 VanDerWaalsContact O-N 3.13Å; N681-N683 PolarHBondContact O-N 3.3Å; N681-N683 VanDerWaalsContact O-N 3.15Å
682Q84.3Confident86.9Confident180 Ų18095 Ų9584%0.84149%0.486SS*.  trans51.134.8-177-58.8-176.7-4.400113D679D679-Q682 PolarHBondContact O-N 3.36Å; D679-Q682 VanDerWaalsContact O-N 3.16Å; D679-Q682 WeakPolarHBondContact OD1-CA 3.42Å; D679-Q682 PolarHBondContact OD1-N 3.06Å; D679-Q682 WeakPolarHBondContact OD2-CA 3.41Å
683N85.1Confident86.9Confident93 Ų9399.9 Ų99.950%0.49750%0.504SS..SBendtrans-95.8-0.2-178.769.57.8000112.3D679 N681 I685D679-N683 PolarHBondContact OD1-N 2.82Å; D679-N683 VanDerWaalsContact OD1-N 3.1Å; D679-N683 PolarHBondContact OD1-OD1 2.82Å; D679-N683 PolarHBondContact OD2-N 2.84Å; N681-N683 PolarHBondContact O-N 3.3Å; N681-N683 VanDerWaalsContact O-N 3.15Å; N683-I685 VanDerWaalsContact C-N 3.32Å; N683-I685 PolarHBondContact OD1-N 2.78Å; N683-I685 PolarHBondContact OD1-O 3.2Å
684G83.6Confident86.9Confident48 Ų48100.9 Ų100.950%0.49551%0.512SS..SBendtrans77.214.2179.300000114D679D679-G684 WeakPolarHBondContact OD2-CA 3.04Å; D679-G684 PolarHBondContact OD2-N 2.98Å
685I85.9Confident86.8Confident112 Ų112102.3 Ų102.357%0.57453%0.526SS*.  trans-132124.2-178.3-56.7177.2000110.3N683N683-I685 VanDerWaalsContact C-N 3.32Å; N683-I685 PolarHBondContact OD1-N 2.78Å; N683-I685 PolarHBondContact OD1-O 3.2Å
686V88.2Confident86.4Confident39 Ų3999.4 Ų99.424%0.23652%0.517CS..  trans-107.6134.5173.5179.30000109.9F675 L678 D679 L688F675-V686 HydrophobicContact CD1-CG2 4.42Å; F675-V686 HydrophobicContact CD2-CG2 3.81Å; F675-V686 HydrophobicContact CE1-CG2 4.24Å; F675-V686 HydrophobicContact CE2-CB 4.28Å; F675-V686 HydrophobicContact CE2-CG2 3.62Å; F675-V686 HydrophobicContact CG-CG2 4.22Å; F675-V686 HydrophobicContact CZ-CG2 3.85Å; L678-V686 HydrophobicContact CB-CB 4.42Å; L678-V686 HydrophobicContact CB-CG1 3.57Å; L678-V686 HydrophobicContact CB-CG2 3.89Å; L678-V686 HydrophobicContact CD1-CG1 4.02Å; L678-V686 HydrophobicContact CG-CG1 4.36Å; D679-V686 HydrophobicContact CB-CG2 4Å; V686-L688 HydrophobicContact CG1-CD1 4.29Å; V686-L688 HydrophobicContact CG1-CD2 4.03Å; V686-L688 HydrophobicContact CG1-CG 3.9Å
687Q87.5Confident86.1Confident181 Ų18194.4 Ų94.485%0.84650%0.502SS*.  trans-107.9124.8174.7-67.6-177.1-12.900109.5
688L89.9Confident85.5Confident62 Ų6295 Ų9533%0.32551%0.506SS..  trans-131.3139.8179.8-61170.7000109.8L678 V686 E692 W693L678-L688 HydrophobicContact CD1-CD2 4.17Å; L678-L688 HydrophobicContact CD2-CD2 4.43Å; V686-L688 HydrophobicContact CG1-CD1 4.29Å; V686-L688 HydrophobicContact CG1-CD2 4.03Å; V686-L688 HydrophobicContact CG1-CG 3.9Å; L688-E692 HydrophobicContact CB-CB 4.16Å; L688-E692 HydrophobicContact CD2-CB 3.97Å; L688-W693 HydrophobicContact CB-CB 4.34Å; L688-W693 HydrophobicContact CD1-CE3 4Å
689S91.7Very high84.2Confident57 Ų5796.5 Ų96.540%0.39952%0.518SS..  trans-67.2164.5161.368.50000110.7A691 E692 W693S689-A691 PolarHBondContact O-N 2.78Å; S689-E692 VanDerWaalsContact CB-OE2 3.23Å; S689-E692 WeakPolarHBondContact CB-OE2 3.25Å; S689-E692 PolarHBondContact N-OE2 3.32Å; S689-E692 PolarHBondContact O-N 3.18Å; S689-E692 VanDerWaalsContact OG-CD 3.23Å; S689-E692 VanDerWaalsContact OG-CG 3.3Å; S689-E692 WeakPolarHBondContact OG-CG 3.32Å; S689-E692 PolarHBondContact OG-N 2.93Å; S689-E692 PolarHBondContact OG-OE2 3.1Å; S689-W693 WeakPolarHBondContact O-CB 3.41Å; S689-W693 PolarHBondContact O-N 3.49Å
690L88Confident83.9Confident130 Ų130100.4 Ų100.468%0.68154%0.539SS*.Hα-helixtrans-58.2-38.8177.3179.261.5000112.1L694L690-L694 HydrophobicContact CD1-CD1 4.25Å; L690-L694 HydrophobicContact CD1-CG 4.26Å; L690-L694 HydrophobicContact CG-CD1 4.12Å; L690-L694 WeakPolarHBondContact O-CB 3.26Å; L690-L694 VanDerWaalsContact O-CG 3.24Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 3.31Å
691A88.6Confident83.9Confident64 Ų6496.1 Ų96.153%0.52953%0.525SS..Hα-helixtrans-65.3-47.9178.800000111.3S689 W693 L694 C695S689-A691 PolarHBondContact O-N 2.78Å; A691-W693 PolarHBondContact O-N 2.81Å; A691-L694 PolarHBondContact O-N 2.97Å; A691-C695 PolarHBondContact O-N 3.27Å; A691-C695 PolarHBondContact O-SG 3.24Å; A691-C695 VanDerWaalsContact O-SG 3.37Å
692E87.4Confident83.8Confident101 Ų10194 Ų9447%0.47252%0.515SS..Hα-helixtrans-62.4-42.9177.6-67.8160.3145.400111.5L688 S689 L694 C695 C696L688-E692 HydrophobicContact CB-CB 4.16Å; L688-E692 HydrophobicContact CD2-CB 3.97Å; S689-E692 VanDerWaalsContact CB-OE2 3.23Å; S689-E692 WeakPolarHBondContact CB-OE2 3.25Å; S689-E692 PolarHBondContact N-OE2 3.32Å; S689-E692 PolarHBondContact O-N 3.18Å; S689-E692 VanDerWaalsContact OG-CD 3.23Å; S689-E692 VanDerWaalsContact OG-CG 3.3Å; S689-E692 WeakPolarHBondContact OG-CG 3.32Å; S689-E692 PolarHBondContact OG-N 2.93Å; S689-E692 PolarHBondContact OG-OE2 3.1Å; E692-L694 PolarHBondContact O-N 3.1Å; E692-C695 PolarHBondContact O-N 2.82Å; E692-C696 PolarHBondContact O-N 2.88Å; E692-C696 PolarHBondContact O-SG 3.26Å; E692-C696 VanDerWaalsContact O-SG 3.33Å
693W86.9Confident83.8Confident138 Ų13888.9 Ų88.952%0.52350%0.495SS..Hα-helixtrans-59-44.6174.8172.6-107.3000112.4L688 S689 A691 C696 V697L688-W693 HydrophobicContact CB-CB 4.34Å; L688-W693 HydrophobicContact CD1-CE3 4Å; S689-W693 WeakPolarHBondContact O-CB 3.41Å; S689-W693 PolarHBondContact O-N 3.49Å; A691-W693 PolarHBondContact O-N 2.81Å; W693-C696 PolarHBondContact O-N 3.49Å; W693-V697 HydrophobicContact CD2-CG2 3.83Å; W693-V697 HydrophobicContact CE3-CG2 3.96Å; W693-V697 HydrophobicContact CH2-CG2 3.73Å; W693-V697 HydrophobicContact CZ2-CG2 3.57Å; W693-V697 HydrophobicContact CZ3-CG2 3.91Å; W693-V697 WeakPolarHBondContact O-CB 3.46Å; W693-V697 VanDerWaalsContact O-CG2 3.28Å; W693-V697 WeakPolarHBondContact O-CG2 3.43Å; W693-V697 PolarHBondContact O-N 2.96Å; W693-V697 VanDerWaalsContact O-N 3.13Å
694L86.1Confident83.7Confident82 Ų8288.7 Ų88.743%0.42950%0.495SS..Hα-helixtrans-64.3-42177.6-72.1171.3000111.6L690 A691 E692 C696 V697 L698L690-L694 HydrophobicContact CD1-CD1 4.25Å; L690-L694 HydrophobicContact CD1-CG 4.26Å; L690-L694 HydrophobicContact CG-CD1 4.12Å; L690-L694 WeakPolarHBondContact O-CB 3.26Å; L690-L694 VanDerWaalsContact O-CG 3.24Å; L690-L694 WeakPolarHBondContact O-CG 3.48Å; L690-L694 PolarHBondContact O-N 3.31Å; A691-L694 PolarHBondContact O-N 2.97Å; E692-L694 PolarHBondContact O-N 3.1Å; L694-C696 PolarHBondContact O-N 3.21Å; L694-V697 PolarHBondContact O-N 3.01Å; L694-L698 HydrophobicContact CB-CD1 4.42Å; L694-L698 VanDerWaalsContact O-CB 3.31Å; L694-L698 WeakPolarHBondContact O-CB 3.43Å; L694-L698 VanDerWaalsContact O-CG 3.23Å; L694-L698 WeakPolarHBondContact O-CG 3.35Å; L694-L698 PolarHBondContact O-N 2.86Å
695C82Confident83.7Confident88 Ų8891.4 Ų91.460%0.59550%0.495SS*.Hα-helixtrans-60.4-43.6174.8-70.90000111.9A691 E692 V697 V699A691-C695 PolarHBondContact O-N 3.27Å; A691-C695 PolarHBondContact O-SG 3.24Å; A691-C695 VanDerWaalsContact O-SG 3.37Å; E692-C695 PolarHBondContact O-N 2.82Å; C695-V697 VanDerWaalsContact C-N 3.31Å; C695-V697 PolarHBondContact O-N 3.11Å; C695-V699 WeakPolarHBondContact O-CG2 3.08Å
696C81.1Confident83.5Confident30 Ų3089.9 Ų89.920%0.20349%0.49CS..Hα-helixtrans-68.2-24.9179-71.10000114.5M674 E692 W693 L694M674-C696 HydrophobicContact CE-CB 4.38Å; M674-C696 HydrophobicContact SD-CB 3.6Å; M674-C696 VanDerWaalsContact SD-CB 3.6Å; M674-C696 VanDerWaalsContact SD-SG 3.7Å; E692-C696 PolarHBondContact O-N 2.88Å; E692-C696 PolarHBondContact O-SG 3.26Å; E692-C696 VanDerWaalsContact O-SG 3.33Å; W693-C696 PolarHBondContact O-N 3.49Å; L694-C696 PolarHBondContact O-N 3.21Å
697V80Confident83.2Confident39 Ų3993.8 Ų93.824%0.23651%0.509CS..Hα-helixtrans-99.7-23.8-174173.90000113.3M1 W693 L694 C695M1-V697 HydrophobicContact CE-CG1 4.23Å; M1-V697 HydrophobicContact SD-CG1 4.15Å; W693-V697 HydrophobicContact CD2-CG2 3.83Å; W693-V697 HydrophobicContact CE3-CG2 3.96Å; W693-V697 HydrophobicContact CH2-CG2 3.73Å; W693-V697 HydrophobicContact CZ2-CG2 3.57Å; W693-V697 HydrophobicContact CZ3-CG2 3.91Å; W693-V697 WeakPolarHBondContact O-CB 3.46Å; W693-V697 VanDerWaalsContact O-CG2 3.28Å; W693-V697 WeakPolarHBondContact O-CG2 3.43Å; W693-V697 PolarHBondContact O-N 2.96Å; W693-V697 VanDerWaalsContact O-N 3.13Å; L694-V697 PolarHBondContact O-N 3.01Å; C695-V697 VanDerWaalsContact C-N 3.31Å; C695-V697 PolarHBondContact O-N 3.11Å
698L72.1Confident82.8Confident144 Ų14486.6 Ų86.675%0.75448%0.481SS*.Hα-helixtrans-86.4-20.2-178.6-72.1173.5000113.9L694L694-L698 HydrophobicContact CB-CD1 4.42Å; L694-L698 VanDerWaalsContact O-CB 3.31Å; L694-L698 WeakPolarHBondContact O-CB 3.43Å; L694-L698 VanDerWaalsContact O-CG 3.23Å; L694-L698 WeakPolarHBondContact O-CG 3.35Å; L694-L698 PolarHBondContact O-N 2.86Å
699V59.7Low82.1Confident104 Ų10488.8 Ų88.863%0.6350%0.495SS*.  trans-75.50163.9-177.10000107.7S581 C695S581-V699 WeakPolarHBondContact OG-CG1 3.33Å; C695-V699 WeakPolarHBondContact O-CG2 3.08Å

Retrieved 699 of 699 residues in 148 ms (Link to these results)

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