A0A077ZE01_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077ZE01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M31Very low61.8Low244 Ų244120.9 Ų120.9100%1.20262%0.621SS**  0900-82169.3152.700109
2R34.9Very low64.5Low247 Ų247113.3 Ų113.393%0.93258%0.581SS**  trans-78.8115.1159.9-78.6-179.8175.7175.5-1.8104.8Q4R2-Q4 PolarHBondContact O-N 3.16Å
3T42.1Very low66.7Low114 Ų114107.1 Ų107.170%0.69955%0.552SS**  trans-48.4121-178.741.90000110.4M5T3-M5 PolarHBondContact O-N 2.78Å
4Q46.8Very low68.7Low205 Ų205106.9 Ų106.996%0.95854%0.542SS*.THydrogen-bonded Turntrans-66.238171.6-71-177.7-26.900112.6R2R2-Q4 PolarHBondContact O-N 3.16Å
5M46.6Very low70.5Confident128 Ų12899.8 Ų99.863%0.63151%0.505SS*.THydrogen-bonded Turntrans-126.515.6-171.4-78.1-17263.100114.1T3 S7 I10T3-M5 PolarHBondContact O-N 2.78Å; M5-S7 PolarHBondContact O-N 3.07Å; M5-S7 VanDerWaalsContact O-N 3.14Å; M5-I10 HydrophobicContact CB-CD1 4.34Å; M5-I10 HydrophobicContact CE-CD1 4.2Å; M5-I10 WeakPolarHBondContact O-CD1 3.31Å
6S55.9Low72.1Confident115 Ų11593.9 Ų93.980%0.80448%0.475SS*.  trans-86.663.6162.464.70000109.1
7S71.4Confident73.4Confident38 Ų3891.9 Ų91.927%0.26647%0.473SS..  trans-75.6131.1167.7-179.80000107.7M5 L9 I10M5-S7 PolarHBondContact O-N 3.07Å; M5-S7 VanDerWaalsContact O-N 3.14Å; S7-L9 PolarHBondContact O-N 3.47Å; S7-L9 VanDerWaalsContact O-N 3.08Å; S7-L9 WeakPolarHBondContact OG-CB 3.12Å; S7-L9 PolarHBondContact OG-N 3.08Å; S7-I10 WeakPolarHBondContact O-CB 3.39Å; S7-I10 PolarHBondContact O-N 3.2Å
8P82.9Confident74.7Confident79 Ų7991.1 Ų91.151%0.51347%0.465SS..Hα-helixtrans-51.5-30.1170.6-22.731.7000112.2I10 L11 E12 A112P8-I10 VanDerWaalsContact C-N 3.33Å; P8-I10 PolarHBondContact O-N 2.68Å; P8-L11 PolarHBondContact O-N 3.13Å; P8-E12 PolarHBondContact O-N 2.97Å; P8-A112 HydrophobicContact CB-CB 3.78Å
9L86.7Confident75.9Confident36 Ų3686.3 Ų86.319%0.18844%0.44CS..Hα-helixtrans-65.5-30.3176.8-165.161000113.6S7 E12 V13 V38 M40S7-L9 PolarHBondContact O-N 3.47Å; S7-L9 VanDerWaalsContact O-N 3.08Å; S7-L9 WeakPolarHBondContact OG-CB 3.12Å; S7-L9 PolarHBondContact OG-N 3.08Å; L9-E12 HydrophobicContact CD1-CB 4.49Å; L9-E12 PolarHBondContact O-N 3.02Å; L9-V13 VanDerWaalsContact O-CG2 3.27Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 2.83Å; L9-V38 HydrophobicContact CB-CG1 4.31Å; L9-V38 HydrophobicContact CD2-CB 3.83Å; L9-V38 HydrophobicContact CD2-CG1 3.54Å; L9-V38 VanDerWaalsContact CD2-O 3.31Å; L9-V38 WeakPolarHBondContact CD2-O 3.28Å; L9-V38 HydrophobicContact CG-CG1 4.08Å; L9-M40 HydrophobicContact CD1-CB 4.04Å; L9-M40 HydrophobicContact CD1-CE 3.63Å; L9-M40 HydrophobicContact CD1-SD 4.49Å
10I89.2Confident77Confident71 Ų7185.4 Ų85.436%0.36443%0.434SS..Hα-helixtrans-68.6-40.8176.5-71.7163.9000110.5M5 S7 P8 E12 Y14M5-I10 HydrophobicContact CB-CD1 4.34Å; M5-I10 HydrophobicContact CE-CD1 4.2Å; M5-I10 WeakPolarHBondContact O-CD1 3.31Å; S7-I10 WeakPolarHBondContact O-CB 3.39Å; S7-I10 PolarHBondContact O-N 3.2Å; P8-I10 VanDerWaalsContact C-N 3.33Å; P8-I10 PolarHBondContact O-N 2.68Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-Y14 WeakPolarHBondContact O-CB 3.2Å; I10-Y14 PolarHBondContact O-N 3.23Å
11L92.9Very high78Confident53 Ų5385.2 Ų85.228%0.27745%0.454SS..Hα-helixtrans-63.3-42.5173.6174.863000110.3P8 Y14 V15 F84 S114P8-L11 PolarHBondContact O-N 3.13Å; L11-Y14 PolarHBondContact O-N 3.42Å; L11-V15 HydrophobicContact CD1-CG2 3.93Å; L11-V15 HydrophobicContact CG-CG2 4.37Å; L11-V15 WeakPolarHBondContact O-CG2 3.24Å; L11-V15 PolarHBondContact O-N 3.43Å; L11-F84 HydrophobicContact CD1-CE1 4.25Å; L11-S114 WeakPolarHBondContact CD2-O 3.48Å
12E93.4Very high81.2Confident29 Ų2977 Ų7714%0.13641%0.412CS..Hα-helixtrans-59.9-51.3178.9-167.6171.6-175.800112.2P8 L9 I10 Y14 V15 M16 M40 F111P8-E12 PolarHBondContact O-N 2.97Å; L9-E12 HydrophobicContact CD1-CB 4.49Å; L9-E12 PolarHBondContact O-N 3.02Å; I10-E12 VanDerWaalsContact C-N 3.3Å; E12-Y14 VanDerWaalsContact C-N 3.28Å; E12-Y14 PolarHBondContact O-N 3.36Å; E12-V15 PolarHBondContact O-N 3.04Å; E12-M16 HydrophobicContact CG-SD 4.25Å; E12-M16 WeakPolarHBondContact O-CB 3.44Å; E12-M16 WeakPolarHBondContact O-CG 3.4Å; E12-M16 PolarHBondContact O-N 3.34Å; E12-M40 HydrophobicContact CB-CE 4.35Å; E12-M40 HydrophobicContact CG-CE 3.61Å; E12-M40 HydrophobicContact CG-SD 4.49Å; E12-M40 WeakPolarHBondContact OE1-CE 3.4Å; E12-F111 HydrophobicContact CG-CB 4.21Å; E12-F111 HydrophobicContact CG-CD2 4.23Å
13V93Very high84.1Confident33 Ų3369.4 Ų69.420%0.239%0.394CS..Hα-helixtrans-55.4-44174170.60000111.2L9 S17 F28 A31 M40L9-V13 VanDerWaalsContact O-CG2 3.27Å; L9-V13 WeakPolarHBondContact O-CG2 3.36Å; L9-V13 PolarHBondContact O-N 2.83Å; V13-S17 WeakPolarHBondContact O-CB 3.41Å; V13-S17 PolarHBondContact O-N 2.89Å; V13-F28 HydrophobicContact CG1-CE2 4.2Å; V13-F28 HydrophobicContact CG1-CZ 3.89Å; V13-F28 HydrophobicContact CG2-CE2 4.21Å; V13-A31 HydrophobicContact CB-CB 4.47Å; V13-A31 HydrophobicContact CG1-CB 3.98Å; V13-A31 HydrophobicContact CG2-CB 3.58Å; V13-M40 HydrophobicContact CG2-CB 4.37Å; V13-M40 HydrophobicContact CG2-CG 4.4Å; V13-M40 HydrophobicContact CG2-SD 3.72Å
14Y94.6Very high86.8Confident105 Ų10564.7 Ų64.741%0.41236%0.364SS..Hα-helixtrans-63.9-46.9179.7179.1-104.9000112.6I10 L11 E12 S17 K18 F84I10-Y14 WeakPolarHBondContact O-CB 3.2Å; I10-Y14 PolarHBondContact O-N 3.23Å; L11-Y14 PolarHBondContact O-N 3.42Å; E12-Y14 VanDerWaalsContact C-N 3.28Å; E12-Y14 PolarHBondContact O-N 3.36Å; Y14-S17 PolarHBondContact O-N 2.88Å; Y14-S17 PolarHBondContact O-OG 3.25Å; Y14-K18 HydrophobicContact CE1-CD 4.34Å; Y14-K18 VanDerWaalsContact CZ-CE 3.47Å; Y14-K18 PolarHBondContact O-N 3.31Å; Y14-K18 WeakPolarHBondContact OH-CE 3.46Å; Y14-K18 PolarHBondContact OH-NZ 3.28Å; Y14-F84 HydrophobicContact CD1-CZ 4.11Å; Y14-F84 HydrophobicContact CE1-CE2 4.11Å; Y14-F84 AromaticContact CE1-CZ 3.66Å; Y14-F84 HydrophobicContact CE1-CZ 3.66Å
15V96.6Very high89.3Confident0 Ų055.5 Ų55.50%032%0.322CS..Hα-helixtrans-66.5-45.5178.7175.90000110.7L11 E12 S17 K18 L19 L79 F84 F111L11-V15 HydrophobicContact CD1-CG2 3.93Å; L11-V15 HydrophobicContact CG-CG2 4.37Å; L11-V15 WeakPolarHBondContact O-CG2 3.24Å; L11-V15 PolarHBondContact O-N 3.43Å; E12-V15 PolarHBondContact O-N 3.04Å; V15-S17 VanDerWaalsContact C-N 3.28Å; V15-S17 PolarHBondContact O-N 2.72Å; V15-K18 WeakPolarHBondContact O-CB 3.23Å; V15-K18 PolarHBondContact O-N 2.82Å; V15-K18 VanDerWaalsContact O-N 3.11Å; V15-L19 HydrophobicContact CG1-CD1 3.93Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 2.98Å; V15-L79 HydrophobicContact CG1-CD1 3.61Å; V15-F84 HydrophobicContact CG2-CD1 3.68Å; V15-F84 HydrophobicContact CG2-CE1 3.83Å; V15-F84 HydrophobicContact CG2-CG 4.1Å; V15-F84 HydrophobicContact CG2-CZ 4.39Å; V15-F111 HydrophobicContact CB-CB 3.87Å; V15-F111 HydrophobicContact CB-CD1 4.49Å; V15-F111 HydrophobicContact CB-CG 4.1Å; V15-F111 HydrophobicContact CG1-CB 3.86Å; V15-F111 HydrophobicContact CG1-CD1 3.57Å; V15-F111 HydrophobicContact CG1-CD2 4.35Å; V15-F111 HydrophobicContact CG1-CE1 4.18Å; V15-F111 HydrophobicContact CG1-CG 3.65Å; V15-F111 HydrophobicContact CG2-CB 4.38Å
16M95.6Very high91.7Very high5 Ų549.6 Ų49.63%0.02529%0.293CS..Hα-helixtrans-57.6-40.9175.6-75-17275.200112.1E12 K18 L19 Q20 F28 M40 M42 F111E12-M16 HydrophobicContact CG-SD 4.25Å; E12-M16 WeakPolarHBondContact O-CB 3.44Å; E12-M16 WeakPolarHBondContact O-CG 3.4Å; E12-M16 PolarHBondContact O-N 3.34Å; M16-K18 VanDerWaalsContact C-N 3.29Å; M16-K18 PolarHBondContact O-N 3.09Å; M16-L19 CarbonylContact O-C 3.32Å; M16-L19 PolarHBondContact O-N 3.01Å; M16-L19 VanDerWaalsContact O-N 3.07Å; M16-Q20 WeakPolarHBondContact O-CG 3.33Å; M16-Q20 PolarHBondContact O-N 3.43Å; M16-Q20 VanDerWaalsContact O-N 3.15Å; M16-Q20 PolarHBondContact O-NE2 2.8Å; M16-F28 HydrophobicContact CE-CB 4.31Å; M16-F28 HydrophobicContact CE-CD2 4.48Å; M16-M40 HydrophobicContact SD-CE 3.76Å; M16-M40 HydrophobicContact SD-SD 3.47Å; M16-M42 HydrophobicContact CE-CB 4.22Å; M16-M42 HydrophobicContact CE-CE 3.97Å; M16-M42 HydrophobicContact CE-SD 3.94Å; M16-M42 HydrophobicContact SD-CE 3.86Å; M16-F111 HydrophobicContact CG-CD2 3.5Å; M16-F111 HydrophobicContact CG-CE2 3.49Å; M16-F111 VanDerWaalsContact CG-CE2 3.49Å; M16-F111 HydrophobicContact SD-CD2 4.4Å; M16-F111 HydrophobicContact SD-CE2 4.39Å
17S94.9Very high93.6Very high61 Ų6147 Ų4743%0.42727%0.272SS..Hα-helixtrans-61.6-35.9178.277.50000112.8V13 Y14 V15 L19V13-S17 WeakPolarHBondContact O-CB 3.41Å; V13-S17 PolarHBondContact O-N 2.89Å; Y14-S17 PolarHBondContact O-N 2.88Å; Y14-S17 PolarHBondContact O-OG 3.25Å; V15-S17 VanDerWaalsContact C-N 3.28Å; V15-S17 PolarHBondContact O-N 2.72Å; S17-L19 VanDerWaalsContact C-N 3.26Å; S17-L19 PolarHBondContact O-N 3.44Å
18K96.5Very high94.7Very high76 Ų7647.4 Ų47.433%0.3327%0.269SS..Hα-helixtrans-71.6-23.8175.9-73.7-164.6168.3-163.30113.3Y14 V15 M16 V82 F84Y14-K18 HydrophobicContact CE1-CD 4.34Å; Y14-K18 VanDerWaalsContact CZ-CE 3.47Å; Y14-K18 PolarHBondContact O-N 3.31Å; Y14-K18 WeakPolarHBondContact OH-CE 3.46Å; Y14-K18 PolarHBondContact OH-NZ 3.28Å; V15-K18 WeakPolarHBondContact O-CB 3.23Å; V15-K18 PolarHBondContact O-N 2.82Å; V15-K18 VanDerWaalsContact O-N 3.11Å; M16-K18 VanDerWaalsContact C-N 3.29Å; M16-K18 PolarHBondContact O-N 3.09Å; K18-V82 HydrophobicContact CB-CB 4.21Å; K18-V82 HydrophobicContact CB-CG1 4.35Å; K18-V82 HydrophobicContact CB-CG2 4.36Å; K18-V82 HydrophobicContact CD-CB 4.42Å; K18-F84 HydrophobicContact CD-CE2 4.08Å
19L97.8Very high95.3Very high1 Ų150.2 Ų50.21%0.00527%0.27CS..Hα-helixtrans-97.1-2.8-175.2-75.9178.3000113.8V15 M16 S17 G21 K22 V25 D78 L79 V82 F111V15-L19 HydrophobicContact CG1-CD1 3.93Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 2.98Å; M16-L19 CarbonylContact O-C 3.32Å; M16-L19 PolarHBondContact O-N 3.01Å; M16-L19 VanDerWaalsContact O-N 3.07Å; S17-L19 VanDerWaalsContact C-N 3.26Å; S17-L19 PolarHBondContact O-N 3.44Å; L19-G21 PolarHBondContact O-N 3.14Å; L19-K22 HydrophobicContact CD2-CG 4.33Å; L19-K22 VanDerWaalsContact O-CB 3.27Å; L19-K22 WeakPolarHBondContact O-CB 3.31Å; L19-K22 WeakPolarHBondContact O-CG 3.48Å; L19-K22 PolarHBondContact O-N 2.97Å; L19-V25 HydrophobicContact CB-CB 4.4Å; L19-V25 HydrophobicContact CB-CG1 3.86Å; L19-V25 HydrophobicContact CB-CG2 3.88Å; L19-V25 HydrophobicContact CD1-CG2 4.21Å; L19-V25 HydrophobicContact CD2-CG2 4.48Å; L19-V25 HydrophobicContact CG-CG2 4.44Å; L19-D78 HydrophobicContact CD2-CB 4.42Å; L19-L79 HydrophobicContact CD1-CD1 3.87Å; L19-V82 HydrophobicContact CD2-CG1 4.01Å; L19-V82 HydrophobicContact CD2-CG2 3.7Å; L19-V82 HydrophobicContact CG-CG2 4.06Å; L19-F111 HydrophobicContact CD1-CD1 4.46Å; L19-F111 HydrophobicContact CD1-CE1 3.68Å; L19-F111 HydrophobicContact CD1-CE2 4.45Å; L19-F111 HydrophobicContact CD1-CZ 3.66Å
20Q97.7Very high95.6Very high68 Ų6852.5 Ų52.532%0.31828%0.283SS..THydrogen-bonded Turntrans-59.1138.1179.1-67.8-52.7-68.500112M16 L26 F28M16-Q20 WeakPolarHBondContact O-CG 3.33Å; M16-Q20 PolarHBondContact O-N 3.43Å; M16-Q20 VanDerWaalsContact O-N 3.15Å; M16-Q20 PolarHBondContact O-NE2 2.8Å; Q20-L26 PolarHBondContact NE2-O 2.75Å; Q20-F28 VanDerWaalsContact CD-CB 3.45Å; Q20-F28 HydrophobicContact CG-CB 4.31Å
21G96.7Very high95.8Very high82 Ų8250.7 Ų50.785%0.84528%0.278SS*.THydrogen-bonded Turntrans85.90.5-17600000114.9L19L19-G21 PolarHBondContact O-N 3.14Å
22K98Very high95.6Very high72 Ų7249.2 Ų49.231%0.31328%0.276SS..  trans-83.3145.4173.4-61.9-57.6-163.9150.10111.7L19 H24 V25 D78L19-K22 HydrophobicContact CD2-CG 4.33Å; L19-K22 VanDerWaalsContact O-CB 3.27Å; L19-K22 WeakPolarHBondContact O-CB 3.31Å; L19-K22 WeakPolarHBondContact O-CG 3.48Å; L19-K22 PolarHBondContact O-N 2.97Å; K22-H24 VanDerWaalsContact C-N 3.32Å; K22-H24 PolarHBondContact O-N 3.47Å; K22-V25 HydrophobicContact CB-CB 4.21Å; K22-V25 HydrophobicContact CB-CG2 3.84Å; K22-V25 PolarHBondContact O-N 3.34Å; K22-D78 HydrophobicContact CB-CB 4.4Å; K22-D78 HydrophobicContact CD-CB 4.26Å; K22-D78 WeakPolarHBondContact CE-OD1 3.49Å; K22-D78 HydrophobicContact CG-CB 4.15Å; K22-D78 IonicContact NZ-OD1 2.82Å; K22-D78 PolarHBondContact NZ-OD1 2.85Å
23P97.4Very high95.3Very high87 Ų8753.8 Ų53.857%0.56530%0.301SS*.THydrogen-bonded Turntrans-62.7-34.3-172.2-23.434.2000114.7Y107P23-Y107 WeakPolarHBondContact O-CE1 3.35Å
24H98.5Very high95Very high15 Ų1557.4 Ų57.47%0.06932%0.316CS..THydrogen-bonded Turntrans-103.328.5-174.7-61-70000112.8K22 Q71 E74 A75 V106 Y107 I108K22-H24 VanDerWaalsContact C-N 3.32Å; K22-H24 PolarHBondContact O-N 3.47Å; H24-Q71 PolarHBondContact CE1-OE1 3.38Å; H24-E74 IonicContact CE1-OE2 3.83Å; H24-E74 IonicContact NE2-OE2 2.93Å; H24-E74 PolarHBondContact NE2-OE2 3.19Å; H24-A75 HydrophobicContact CB-CB 3.44Å; H24-A75 VanDerWaalsContact CB-CB 3.44Å; H24-V106 WeakPolarHBondContact CB-O 3.23Å; H24-V106 PolarHBondContact ND1-O 3.22Å; H24-Y107 WeakPolarHBondContact O-CA 3.46Å; H24-I108 PolarHBondContact O-N 2.77Å
25V98.2Very high94.5Very high11 Ų1160 Ų607%0.06733%0.331CS..BIsolated β-bridgetrans-127.3128.4-179.7175.10000109.1L19 K22 I108L19-V25 HydrophobicContact CB-CB 4.4Å; L19-V25 HydrophobicContact CB-CG1 3.86Å; L19-V25 HydrophobicContact CB-CG2 3.88Å; L19-V25 HydrophobicContact CD1-CG2 4.21Å; L19-V25 HydrophobicContact CD2-CG2 4.48Å; L19-V25 HydrophobicContact CG-CG2 4.44Å; K22-V25 HydrophobicContact CB-CB 4.21Å; K22-V25 HydrophobicContact CB-CG2 3.84Å; K22-V25 PolarHBondContact O-N 3.34Å; V25-I108 HydrophobicContact CG2-CG2 4.47Å
26L97.8Very high94Very high4 Ų467.2 Ų67.22%0.02137%0.37CS..PPolyproline II helixtrans-62.7144.1177.6-67.1175.5000110.7Q20 F28 M42 Q43 A45 V95 Y107 I109Q20-L26 PolarHBondContact NE2-O 2.75Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-M42 HydrophobicContact CD1-SD 3.99Å; L26-Q43 HydrophobicContact CB-CB 4.27Å; L26-Q43 HydrophobicContact CD2-CB 4.24Å; L26-Q43 HydrophobicContact CD2-CG 4.27Å; L26-A45 HydrophobicContact CD1-CB 3.97Å; L26-A45 HydrophobicContact CD2-CB 4.26Å; L26-V95 HydrophobicContact CD1-CG2 4.42Å; L26-Y107 HydrophobicContact CD2-CD1 3.8Å; L26-Y107 HydrophobicContact CD2-CD2 3.88Å; L26-Y107 HydrophobicContact CD2-CE1 4.29Å; L26-Y107 HydrophobicContact CD2-CE2 4.36Å; L26-Y107 HydrophobicContact CD2-CG 3.57Å; L26-Y107 HydrophobicContact CG-CD1 4.21Å; L26-Y107 HydrophobicContact CG-CG 4.08Å; L26-I109 HydrophobicContact CD1-CG2 3.58Å; L26-I109 HydrophobicContact CG-CG2 4.29Å
27T96.6Very high93.5Very high60 Ų6075.4 Ų75.437%0.36840%0.402SS..PPolyproline II helixtrans-63.5124.6175.9-55.30000109.8Y29 M42 Q43T27-Y29 HydrophobicContact CG2-CD1 4.02Å; T27-Y29 HydrophobicContact CG2-CE1 3.52Å; T27-M42 CarbonylContact O-C 3.47Å; T27-M42 VanDerWaalsContact O-CA 3.23Å; T27-M42 WeakPolarHBondContact O-CA 3.36Å; T27-M42 WeakPolarHBondContact O-CB 3.42Å; T27-Q43 PolarHBondContact O-N 2.92Å; T27-Q43 PolarHBondContact OG1-OE1 3.26Å
28F94.4Very high93.1Very high47 Ų4775.2 Ų75.221%0.20640%0.398CS..EExtended strand (participates in β ladder)trans-92.5125.6174.2173.1-98.1000109.6V13 M16 Q20 L26 D30 A31 M40V13-F28 HydrophobicContact CG1-CE2 4.2Å; V13-F28 HydrophobicContact CG1-CZ 3.89Å; V13-F28 HydrophobicContact CG2-CE2 4.21Å; M16-F28 HydrophobicContact CE-CB 4.31Å; M16-F28 HydrophobicContact CE-CD2 4.48Å; Q20-F28 VanDerWaalsContact CD-CB 3.45Å; Q20-F28 HydrophobicContact CG-CB 4.31Å; L26-F28 PolarHBondContact O-N 3.21Å; F28-D30 WeakPolarHBondContact CE2-O 3.33Å; F28-D30 VanDerWaalsContact CZ-C 3.48Å; F28-A31 HydrophobicContact CE2-CB 3.82Å; F28-A31 HydrophobicContact CZ-CB 3.54Å; F28-M40 HydrophobicContact CD2-CG 3.99Å; F28-M40 HydrophobicContact CD2-SD 3.95Å; F28-M40 HydrophobicContact CE2-CG 3.71Å; F28-M40 HydrophobicContact CE2-SD 3.81Å
29Y95Very high92.8Very high138 Ų13875 Ų7554%0.54140%0.397SS..EExtended strand (participates in β ladder)trans-101.2-46.9-176.5-61.3-59.3000112.8T27 V41 M42 Q43T27-Y29 HydrophobicContact CG2-CD1 4.02Å; T27-Y29 HydrophobicContact CG2-CE1 3.52Å; Y29-V41 HydrophobicContact CD2-CG1 4.17Å; Y29-V41 PolarHBondContact N-O 3.15Å; Y29-M42 VanDerWaalsContact CE2-C 3.49Å; Y29-Q43 HydrophobicContact CE2-CB 4.29Å; Y29-Q43 VanDerWaalsContact CE2-N 3.32Å
30D93.4Very high92.5Very high85 Ų8576.7 Ų76.746%0.45541%0.405SS..EExtended strand (participates in β ladder)trans-159.8157.8-174.8-163.615.2000111.8F28 M40 V41F28-D30 WeakPolarHBondContact CE2-O 3.33Å; F28-D30 VanDerWaalsContact CZ-C 3.48Å; D30-M40 CarbonylContact O-C 3.53Å; D30-M40 WeakPolarHBondContact O-CA 3.24Å; D30-V41 HydrophobicContact CB-CB 4.21Å; D30-V41 HydrophobicContact CB-CG2 4.22Å; D30-V41 PolarHBondContact N-O 2.88Å; D30-V41 PolarHBondContact O-N 3.17Å
31A91.9Very high92.4Very high32 Ų3276.6 Ų76.626%0.26441%0.409SS..EExtended strand (participates in β ladder)trans-151.3146.3164.100000110.1V13 F28 F39V13-A31 HydrophobicContact CB-CB 4.47Å; V13-A31 HydrophobicContact CG1-CB 3.98Å; V13-A31 HydrophobicContact CG2-CB 3.58Å; F28-A31 HydrophobicContact CE2-CB 3.82Å; F28-A31 HydrophobicContact CZ-CB 3.54Å; A31-F39 VanDerWaalsContact CA-O 3.26Å; A31-F39 WeakPolarHBondContact CA-O 3.46Å; A31-F39 WeakPolarHBondContact CB-O 3.32Å
32G89.6Confident92.3Very high23 Ų2375.4 Ų75.424%0.23738%0.382CS..EExtended strand (participates in β ladder)trans-157.3169.6-177.700000113.6V38 F39G32-V38 WeakPolarHBondContact O-CA 3.42Å; G32-F39 VanDerWaalsContact CA-CE1 3.42Å; G32-F39 PolarHBondContact N-O 3.49Å; G32-F39 VanDerWaalsContact N-O 3.14Å; G32-F39 WeakPolarHBondContact O-CD1 3.41Å; G32-F39 PolarHBondContact O-N 3.39Å
33L87.8Confident92.2Very high125 Ų12572.6 Ų72.665%0.65437%0.371SS*.EExtended strand (participates in β ladder)trans-111.7111.2169176.272.2000107Y37 V38L33-Y37 WeakPolarHBondContact CA-O 3.29Å; L33-V38 HydrophobicContact CD1-CG2 3.81Å
34E86.7Confident92.2Very high109 Ų10974.5 Ų74.551%0.50938%0.375SS..EExtended strand (participates in β ladder)trans-119.1116.1179.3-171.559-148.500109.3N36 Y37 F39E34-N36 PolarHBondContact O-N 3.32Å; E34-Y37 PolarHBondContact N-O 2.78Å; E34-Y37 PolarHBondContact O-N 2.91Å; E34-F39 HydrophobicContact CB-CD1 4.31Å; E34-F39 HydrophobicContact CB-CE1 4.11Å
35H84.3Confident92.1Very high159 Ų15975 Ų7574%0.73638%0.382SS*.THydrogen-bonded Turntrans51.2-94.3-174.4-61.675.6000113
36N85.3Confident92.1Very high151 Ų15175.6 Ų75.681%0.80739%0.39SS*.THydrogen-bonded Turntrans-118.27.3-178.4-67.6-34.2000113.4E34E34-N36 PolarHBondContact O-N 3.32Å
37Y85Confident92.1Very high177 Ų17778.4 Ų78.469%0.69440%0.402SS*.EExtended strand (participates in β ladder)trans-118.1135.8-176.3-57.1-81.2000110.6L33 E34L33-Y37 WeakPolarHBondContact CA-O 3.29Å; E34-Y37 PolarHBondContact N-O 2.78Å; E34-Y37 PolarHBondContact O-N 2.91Å
38V86.6Confident92.2Very high57 Ų5776.6 Ų76.635%0.34539%0.392SS..EExtended strand (participates in β ladder)trans-96.8128.2163.8-170.90000106.2L9 G32 L33L9-V38 HydrophobicContact CB-CG1 4.31Å; L9-V38 HydrophobicContact CD2-CB 3.83Å; L9-V38 HydrophobicContact CD2-CG1 3.54Å; L9-V38 VanDerWaalsContact CD2-O 3.31Å; L9-V38 WeakPolarHBondContact CD2-O 3.28Å; L9-V38 HydrophobicContact CG-CG1 4.08Å; G32-V38 WeakPolarHBondContact O-CA 3.42Å; L33-V38 HydrophobicContact CD1-CG2 3.81Å
39F90.6Very high92.4Very high72 Ų7274.3 Ų74.332%0.31638%0.382SS..EExtended strand (participates in β ladder)trans-124.4156.9-179.970.8-92.9000111A31 G32 E34 V41A31-F39 VanDerWaalsContact CA-O 3.26Å; A31-F39 WeakPolarHBondContact CA-O 3.46Å; A31-F39 WeakPolarHBondContact CB-O 3.32Å; G32-F39 VanDerWaalsContact CA-CE1 3.42Å; G32-F39 PolarHBondContact N-O 3.49Å; G32-F39 VanDerWaalsContact N-O 3.14Å; G32-F39 WeakPolarHBondContact O-CD1 3.41Å; G32-F39 PolarHBondContact O-N 3.39Å; E34-F39 HydrophobicContact CB-CD1 4.31Å; E34-F39 HydrophobicContact CB-CE1 4.11Å; F39-V41 HydrophobicContact CD2-CG2 3.91Å; F39-V41 HydrophobicContact CE2-CG2 4.11Å
40M91.5Very high92.5Very high36 Ų3672.3 Ų72.318%0.17738%0.378CS..EExtended strand (participates in β ladder)trans-139.6134.3172.8172.4161.46600108.4L9 E12 V13 M16 F28 D30 M42L9-M40 HydrophobicContact CD1-CB 4.04Å; L9-M40 HydrophobicContact CD1-CE 3.63Å; L9-M40 HydrophobicContact CD1-SD 4.49Å; E12-M40 HydrophobicContact CB-CE 4.35Å; E12-M40 HydrophobicContact CG-CE 3.61Å; E12-M40 HydrophobicContact CG-SD 4.49Å; E12-M40 WeakPolarHBondContact OE1-CE 3.4Å; V13-M40 HydrophobicContact CG2-CB 4.37Å; V13-M40 HydrophobicContact CG2-CG 4.4Å; V13-M40 HydrophobicContact CG2-SD 3.72Å; M16-M40 HydrophobicContact SD-CE 3.76Å; M16-M40 HydrophobicContact SD-SD 3.47Å; F28-M40 HydrophobicContact CD2-CG 3.99Å; F28-M40 HydrophobicContact CD2-SD 3.95Å; F28-M40 HydrophobicContact CE2-CG 3.71Å; F28-M40 HydrophobicContact CE2-SD 3.81Å; D30-M40 CarbonylContact O-C 3.53Å; D30-M40 WeakPolarHBondContact O-CA 3.24Å; M40-M42 HydrophobicContact CE-CE 3.07Å; M40-M42 HydrophobicContact CG-CE 3.83Å; M40-M42 HydrophobicContact SD-CE 3.74Å
41V94.5Very high92.8Very high67 Ų6772.3 Ų72.341%0.40638%0.375SS..EExtended strand (participates in β ladder)trans-115.6122.4179.1-169.30000107.7Y29 D30 F39Y29-V41 HydrophobicContact CD2-CG1 4.17Å; Y29-V41 PolarHBondContact N-O 3.15Å; D30-V41 HydrophobicContact CB-CB 4.21Å; D30-V41 HydrophobicContact CB-CG2 4.22Å; D30-V41 PolarHBondContact N-O 2.88Å; D30-V41 PolarHBondContact O-N 3.17Å; F39-V41 HydrophobicContact CD2-CG2 3.91Å; F39-V41 HydrophobicContact CE2-CG2 4.11Å
42M95.4Very high93.1Very high56 Ų5671 Ų7128%0.27636%0.363SS..EExtended strand (participates in β ladder)trans-141.1169.9-179.968.3178.582.600110.4M16 L26 T27 Y29 M40 L44M16-M42 HydrophobicContact CE-CB 4.22Å; M16-M42 HydrophobicContact CE-CE 3.97Å; M16-M42 HydrophobicContact CE-SD 3.94Å; M16-M42 HydrophobicContact SD-CE 3.86Å; L26-M42 HydrophobicContact CD1-SD 3.99Å; T27-M42 CarbonylContact O-C 3.47Å; T27-M42 VanDerWaalsContact O-CA 3.23Å; T27-M42 WeakPolarHBondContact O-CA 3.36Å; T27-M42 WeakPolarHBondContact O-CB 3.42Å; Y29-M42 VanDerWaalsContact CE2-C 3.49Å; M40-M42 HydrophobicContact CE-CE 3.07Å; M40-M42 HydrophobicContact CG-CE 3.83Å; M40-M42 HydrophobicContact SD-CE 3.74Å; M42-L44 PolarHBondContact O-N 3.43Å
43Q95.4Very high93.4Very high14 Ų1471.4 Ų71.47%0.06536%0.359CS..PPolyproline II helixtrans-52.6134.5173.2-178.2178.91.100111.5L26 T27 Y29 A45 N102L26-Q43 HydrophobicContact CB-CB 4.27Å; L26-Q43 HydrophobicContact CD2-CB 4.24Å; L26-Q43 HydrophobicContact CD2-CG 4.27Å; T27-Q43 PolarHBondContact O-N 2.92Å; T27-Q43 PolarHBondContact OG1-OE1 3.26Å; Y29-Q43 HydrophobicContact CE2-CB 4.29Å; Y29-Q43 VanDerWaalsContact CE2-N 3.32Å; Q43-A45 PolarHBondContact O-N 2.99Å; Q43-N102 PolarHBondContact NE2-ND2 3.2Å
44L97Very high93.9Very high127 Ų12773.6 Ų73.667%0.66536%0.359SS*.PPolyproline II helixtrans-68.5121.9173.2-178.963.8000109.2M42 N98M42-L44 PolarHBondContact O-N 3.43Å; L44-N98 VanDerWaalsContact O-CB 3.24Å; L44-N98 WeakPolarHBondContact O-CB 3.39Å
45A97.3Very high94.3Very high26 Ų2671.4 Ų71.422%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-90.4160.5175.400000112.1L26 Q43 V95L26-A45 HydrophobicContact CD1-CB 3.97Å; L26-A45 HydrophobicContact CD2-CB 4.26Å; Q43-A45 PolarHBondContact O-N 2.99Å; A45-V95 HydrophobicContact CB-CB 3.88Å; A45-V95 HydrophobicContact CB-CG2 3.44Å; A45-V95 VanDerWaalsContact CB-CG2 3.44Å
46G97.7Very high94.8Very high23 Ų2365.5 Ų65.524%0.23733%0.326CS..EExtended strand (participates in β ladder)trans-82.8-154.4171.100000111.8L96G46-L96 WeakPolarHBondContact CA-O 3.24Å; G46-L96 PolarHBondContact N-O 2.76Å
47K97.8Very high95.1Very high63 Ų6365 Ų6527%0.27432%0.317SS..EExtended strand (participates in β ladder)trans-62.7147.4-179.2-65.6-179177.71760112Q51 L52 E55 V95 L96K47-Q51 HydrophobicContact CB-CB 4.49Å; K47-Q51 HydrophobicContact CD-CG 4.34Å; K47-L52 HydrophobicContact CB-CD2 4.1Å; K47-L52 HydrophobicContact CB-CG 4.11Å; K47-L52 HydrophobicContact CD-CD2 3.68Å; K47-L52 HydrophobicContact CD-CG 4.48Å; K47-E55 IonicContact NZ-OE1 2.88Å; K47-E55 PolarHBondContact NZ-OE1 2.99Å; K47-E55 IonicContact NZ-OE2 3.22Å; K47-E55 PolarHBondContact NZ-OE2 3.02Å; K47-V95 WeakPolarHBondContact O-CA 3.42Å; K47-L96 PolarHBondContact O-N 3.3Å
48S98.5Very high95.4Very high21 Ų2162.4 Ų62.415%0.14732%0.319CS..EExtended strand (participates in β ladder)trans-74.1156.3167.668.10000111.5E50 Q51 L52 F94S48-E50 PolarHBondContact O-N 2.76Å; S48-Q51 PolarHBondContact O-N 2.94Å; S48-Q51 VanDerWaalsContact O-N 3.14Å; S48-Q51 PolarHBondContact OG-N 3.05Å; S48-Q51 VanDerWaalsContact OG-N 3.14Å; S48-L52 WeakPolarHBondContact O-CG 3.23Å; S48-L52 PolarHBondContact O-N 2.97Å; S48-L52 VanDerWaalsContact O-N 3.1Å; S48-F94 CarbonylContact C-O 3.6Å; S48-F94 VanDerWaalsContact CA-O 3.27Å; S48-F94 WeakPolarHBondContact CA-O 3.31Å
49L98.7Very high95.8Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-63.5-27.7172.9-58.7-172.4000111.5L52 F53 L68 P91 F94 L96 V106 F167L49-L52 HydrophobicContact CD2-CD1 3.98Å; L49-F53 WeakPolarHBondContact O-CB 3.31Å; L49-F53 PolarHBondContact O-N 3.23Å; L49-L68 HydrophobicContact CD1-CD1 4.42Å; L49-L68 HydrophobicContact CD1-CD2 4.45Å; L49-L68 HydrophobicContact CD2-CD1 4.18Å; L49-L68 HydrophobicContact CD2-CD2 3.83Å; L49-P91 HydrophobicContact CB-CB 4.27Å; L49-P91 WeakPolarHBondContact CB-O 3.33Å; L49-P91 PolarHBondContact N-O 3.28Å; L49-F94 HydrophobicContact CD1-CB 3.62Å; L49-F94 HydrophobicContact CD1-CG 4.38Å; L49-F94 HydrophobicContact CG-CB 3.81Å; L49-F94 PolarHBondContact N-O 3.24Å; L49-L96 HydrophobicContact CD2-CD2 4.37Å; L49-V106 HydrophobicContact CD1-CG1 4.43Å; L49-F167 HydrophobicContact CB-CZ 3.99Å; L49-F167 HydrophobicContact CD1-CE2 4.22Å; L49-F167 HydrophobicContact CD1-CZ 4.33Å
50E98.4Very high96.2Very high96 Ų9657 Ų5745%0.44929%0.292SS..Hα-helixtrans-61.1-47.3171.3-174.1176.1-114.100111.9S48 F53 Y54 P91S48-E50 PolarHBondContact O-N 2.76Å; E50-F53 PolarHBondContact O-N 2.85Å; E50-Y54 WeakPolarHBondContact O-CB 3.35Å; E50-Y54 PolarHBondContact O-N 2.92Å; E50-P91 HydrophobicContact CB-CB 3.84Å; E50-P91 PolarHBondContact N-O 2.99Å
51Q98Very high96.4Very high84 Ų8457.5 Ų57.539%0.39330%0.3SS..Hα-helixtrans-62.8-46.4178.9-179.7176.3-14.600110.8K47 S48 F53 Y54 E55K47-Q51 HydrophobicContact CB-CB 4.49Å; K47-Q51 HydrophobicContact CD-CG 4.34Å; S48-Q51 PolarHBondContact O-N 2.94Å; S48-Q51 VanDerWaalsContact O-N 3.14Å; S48-Q51 PolarHBondContact OG-N 3.05Å; S48-Q51 VanDerWaalsContact OG-N 3.14Å; Q51-F53 VanDerWaalsContact C-N 3.31Å; Q51-F53 PolarHBondContact O-N 2.78Å; Q51-Y54 PolarHBondContact O-N 2.91Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.48Å; Q51-E55 PolarHBondContact NE2-OE1 3.2Å; Q51-E55 WeakPolarHBondContact O-CB 3.37Å; Q51-E55 VanDerWaalsContact O-CG 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.42Å; Q51-E55 PolarHBondContact O-N 3.15Å
52L97.9Very high96.6Very high4 Ų456.8 Ų56.82%0.02129%0.293CS..Hα-helixtrans-61.7-40177.6-63.3169.6000111.8K47 S48 L49 E55 S56 F60 L96 W245K47-L52 HydrophobicContact CB-CD2 4.1Å; K47-L52 HydrophobicContact CB-CG 4.11Å; K47-L52 HydrophobicContact CD-CD2 3.68Å; K47-L52 HydrophobicContact CD-CG 4.48Å; S48-L52 WeakPolarHBondContact O-CG 3.23Å; S48-L52 PolarHBondContact O-N 2.97Å; S48-L52 VanDerWaalsContact O-N 3.1Å; L49-L52 HydrophobicContact CD2-CD1 3.98Å; L52-E55 PolarHBondContact O-N 3.34Å; L52-S56 PolarHBondContact O-N 3.14Å; L52-F60 HydrophobicContact CB-CE1 4.42Å; L52-F60 HydrophobicContact CB-CZ 3.97Å; L52-L96 HydrophobicContact CD1-CD1 3.49Å; L52-L96 VanDerWaalsContact CD1-CD1 3.49Å; L52-L96 HydrophobicContact CD1-CG 4.04Å; L52-W245 HydrophobicContact CB-CE3 4.17Å; L52-W245 HydrophobicContact CB-CZ3 4.3Å; L52-W245 HydrophobicContact CD1-CD2 4.12Å; L52-W245 HydrophobicContact CD1-CE3 4.34Å; L52-W245 HydrophobicContact CD1-CH2 3.98Å; L52-W245 HydrophobicContact CD1-CZ2 3.72Å; L52-W245 HydrophobicContact CD1-CZ3 4.27Å; L52-W245 HydrophobicContact CD2-CB 4.27Å; L52-W245 HydrophobicContact CD2-CD2 3.78Å; L52-W245 HydrophobicContact CD2-CE3 4.25Å; L52-W245 HydrophobicContact CD2-CG 3.76Å; L52-W245 HydrophobicContact CG-CD2 4.35Å; L52-W245 HydrophobicContact CG-CE3 4.48Å
53F97.6Very high96.7Very high33 Ų3354.4 Ų54.415%0.14528%0.283CS..Hα-helixtrans-65.4-43.3177.2-178.3-106.7000111.2L49 E50 Q51 E55 S56 F60 E166 F167L49-F53 WeakPolarHBondContact O-CB 3.31Å; L49-F53 PolarHBondContact O-N 3.23Å; E50-F53 PolarHBondContact O-N 2.85Å; Q51-F53 VanDerWaalsContact C-N 3.31Å; Q51-F53 PolarHBondContact O-N 2.78Å; F53-E55 VanDerWaalsContact C-N 3.31Å; F53-E55 PolarHBondContact O-N 3.14Å; F53-S56 PolarHBondContact O-N 3.1Å; F53-S56 PolarHBondContact O-OG 3.14Å; F53-F60 VanDerWaalsContact CA-CZ 3.48Å; F53-F60 HydrophobicContact CB-CE1 4.45Å; F53-F60 HydrophobicContact CB-CE2 4.18Å; F53-F60 HydrophobicContact CB-CZ 3.79Å; F53-F60 HydrophobicContact CD2-CD2 4.42Å; F53-F60 HydrophobicContact CD2-CE2 4.19Å; F53-F60 HydrophobicContact CD2-CZ 4.26Å; F53-E166 HydrophobicContact CE1-CG 4.08Å; F53-E166 WeakPolarHBondContact CE2-O 3.45Å; F53-E166 HydrophobicContact CZ-CG 3.8Å; F53-E166 WeakPolarHBondContact CZ-O 3.47Å; F53-F167 HydrophobicContact CB-CD1 4.43Å; F53-F167 HydrophobicContact CB-CE1 4.13Å; F53-F167 AromaticContact CD2-CD1 3.55Å; F53-F167 HydrophobicContact CD2-CD1 3.55Å; F53-F167 HydrophobicContact CD2-CE1 4.09Å; F53-F167 AromaticContact CE2-CD1 3.96Å; F53-F167 HydrophobicContact CE2-CD1 3.96Å; F53-F167 HydrophobicContact CG-CD1 4.05Å; F53-F167 HydrophobicContact CG-CE1 4.13Å
54Y96.7Very high96.9Very high171 Ų17153.8 Ų53.867%0.67128%0.28SS*.Hα-helixtrans-62.5-36.6174179.7-96.4000112.8E50 Q51 K57E50-Y54 WeakPolarHBondContact O-CB 3.35Å; E50-Y54 PolarHBondContact O-N 2.92Å; Q51-Y54 PolarHBondContact O-N 2.91Å; Y54-K57 VanDerWaalsContact CE1-NZ 3.32Å; Y54-K57 WeakPolarHBondContact O-CD 3.26Å; Y54-K57 WeakPolarHBondContact O-CE 3.47Å; Y54-K57 PolarHBondContact O-NZ 3.32Å
55E96Very high97Very high63 Ų6347.8 Ų47.829%0.29425%0.249SC..Hα-helixtrans-67.9-37.3176.3-74.1171.1-173.300111.6K47 Q51 L52 F53 K57K47-E55 IonicContact NZ-OE1 2.88Å; K47-E55 PolarHBondContact NZ-OE1 2.99Å; K47-E55 IonicContact NZ-OE2 3.22Å; K47-E55 PolarHBondContact NZ-OE2 3.02Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.48Å; Q51-E55 PolarHBondContact NE2-OE1 3.2Å; Q51-E55 WeakPolarHBondContact O-CB 3.37Å; Q51-E55 VanDerWaalsContact O-CG 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.42Å; Q51-E55 PolarHBondContact O-N 3.15Å; L52-E55 PolarHBondContact O-N 3.34Å; F53-E55 VanDerWaalsContact C-N 3.31Å; F53-E55 PolarHBondContact O-N 3.14Å; E55-K57 VanDerWaalsContact C-N 3.26Å; E55-K57 PolarHBondContact O-N 2.88Å
56S94.4Very high97Very high35 Ų3546.6 Ų46.625%0.24524%0.239CC..Hα-helixtrans-60.8-28.2179.479.20000114.8L52 F53 V58 G59L52-S56 PolarHBondContact O-N 3.14Å; F53-S56 PolarHBondContact O-N 3.1Å; F53-S56 PolarHBondContact O-OG 3.14Å; S56-V58 PolarHBondContact O-N 3.25Å; S56-G59 WeakPolarHBondContact CB-O 3.21Å; S56-G59 WeakPolarHBondContact OG-CA 3.42Å; S56-G59 PolarHBondContact OG-N 3.31Å; S56-G59 VanDerWaalsContact OG-N 3.15Å; S56-G59 PolarHBondContact OG-O 3.43Å
57K91.2Very high97.1Very high141 Ų14146.4 Ų46.461%0.61323%0.231SC*.SBendtrans60.7-28.2-174.6-51.5-57.8169-158.40117.1Y54 E55Y54-K57 VanDerWaalsContact CE1-NZ 3.32Å; Y54-K57 WeakPolarHBondContact O-CD 3.26Å; Y54-K57 WeakPolarHBondContact O-CE 3.47Å; Y54-K57 PolarHBondContact O-NZ 3.32Å; E55-K57 VanDerWaalsContact C-N 3.26Å; E55-K57 PolarHBondContact O-N 2.88Å
58V92.5Very high97.1Very high122 Ų12243.4 Ų43.474%0.73922%0.218SC*.SBendtrans-115-7.6-174.5-61.40000113.5S56S56-V58 PolarHBondContact O-N 3.25Å
59G95.3Very high97.1Very high7 Ų742.4 Ų42.47%0.07221%0.211CC..  trans97.2-174.1-167.300000112S56 F167S56-G59 WeakPolarHBondContact CB-O 3.21Å; S56-G59 WeakPolarHBondContact OG-CA 3.42Å; S56-G59 PolarHBondContact OG-N 3.31Å; S56-G59 VanDerWaalsContact OG-N 3.15Å; S56-G59 PolarHBondContact OG-O 3.43Å; G59-F167 WeakPolarHBondContact CA-O 3.31Å
60F97.8Very high97.1Very high8 Ų843.1 Ų43.14%0.03522%0.216CC..  trans-105.6151.7-176.9-63.1-32.9000111.2L52 F53 T64 L68 F167 W245L52-F60 HydrophobicContact CB-CE1 4.42Å; L52-F60 HydrophobicContact CB-CZ 3.97Å; F53-F60 VanDerWaalsContact CA-CZ 3.48Å; F53-F60 HydrophobicContact CB-CE1 4.45Å; F53-F60 HydrophobicContact CB-CE2 4.18Å; F53-F60 HydrophobicContact CB-CZ 3.79Å; F53-F60 HydrophobicContact CD2-CD2 4.42Å; F53-F60 HydrophobicContact CD2-CE2 4.19Å; F53-F60 HydrophobicContact CD2-CZ 4.26Å; F60-T64 HydrophobicContact CB-CG2 3.91Å; F60-T64 HydrophobicContact CD1-CG2 4.3Å; F60-T64 HydrophobicContact CD2-CG2 4.2Å; F60-T64 HydrophobicContact CG-CG2 3.91Å; F60-L68 HydrophobicContact CD2-CD1 3.92Å; F60-L68 HydrophobicContact CE2-CD1 3.78Å; F60-F167 HydrophobicContact CB-CB 4.46Å; F60-F167 HydrophobicContact CD2-CB 3.74Å; F60-F167 AromaticContact CD2-CD1 3.95Å; F60-F167 HydrophobicContact CD2-CD1 3.95Å; F60-F167 AromaticContact CD2-CD2 3.92Å; F60-F167 HydrophobicContact CD2-CD2 3.92Å; F60-F167 AromaticContact CD2-CG 3.6Å; F60-F167 HydrophobicContact CD2-CG 3.6Å; F60-F167 HydrophobicContact CE2-CB 4.49Å; F60-F167 AromaticContact CE2-CD1 3.84Å; F60-F167 HydrophobicContact CE2-CD1 3.84Å; F60-F167 HydrophobicContact CE2-CD2 4.07Å; F60-F167 AromaticContact CE2-CE1 4Å; F60-F167 HydrophobicContact CE2-CE1 4Å; F60-F167 HydrophobicContact CE2-CE2 4.24Å; F60-F167 AromaticContact CE2-CG 3.88Å; F60-F167 HydrophobicContact CE2-CG 3.88Å; F60-F167 HydrophobicContact CE2-CZ 4.19Å; F60-F167 HydrophobicContact CG-CB 4.5Å; F60-F167 PolarHBondContact N-O 2.96Å; F60-W245 HydrophobicContact CD1-CZ3 4.2Å; F60-W245 HydrophobicContact CE1-CE3 4.15Å; F60-W245 AromaticContact CE1-CZ3 3.72Å; F60-W245 HydrophobicContact CE1-CZ3 3.72Å; F60-W245 AromaticContact CZ-CZ3 3.91Å; F60-W245 HydrophobicContact CZ-CZ3 3.91Å
61S97.3Very high97.1Very high47 Ų4739.9 Ų39.933%0.32920%0.2SC..  trans-57157.5167.374.60000111.7G63 T64 T65 E244S61-G63 PolarHBondContact O-N 2.68Å; S61-T64 PolarHBondContact O-N 3.27Å; S61-T64 PolarHBondContact OG-N 3.42Å; S61-T64 PolarHBondContact OG-OG1 3.29Å; S61-T65 WeakPolarHBondContact O-CB 3.35Å; S61-T65 PolarHBondContact O-N 2.9Å; S61-T65 PolarHBondContact O-OG1 2.8Å; S61-E244 WeakPolarHBondContact CB-OE1 3.31Å; S61-E244 PolarHBondContact N-OE1 3.37Å; S61-E244 PolarHBondContact N-OE2 3.06Å; S61-E244 VanDerWaalsContact N-OE2 3.15Å
62L98.2Very high97.2Very high51 Ų5135.9 Ų35.927%0.26718%0.182SC..Hα-helixtrans-57.2-35.7173.5-71.6176.2000111.9A66 A168 L199 P200 F203 V231 V235L62-A66 VanDerWaalsContact O-CB 3.25Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 3.15Å; L62-A168 HydrophobicContact CD2-CB 3.97Å; L62-L199 HydrophobicContact CD2-CD2 3.92Å; L62-P200 HydrophobicContact CD1-CG 4.25Å; L62-P200 HydrophobicContact CD2-CG 4.48Å; L62-F203 HydrophobicContact CD2-CE2 4.15Å; L62-V231 HydrophobicContact CB-CG1 4.02Å; L62-V235 HydrophobicContact CB-CG1 4.05Å; L62-V235 HydrophobicContact CD1-CG1 3.94Å
63G98.2Very high97.2Very high6 Ų635.7 Ų35.76%0.06218%0.181CC..Hα-helixtrans-71.7-41.3179.400000113.4S61 R67 C237S61-G63 PolarHBondContact O-N 2.68Å; G63-R67 WeakPolarHBondContact O-CB 3.11Å; G63-R67 VanDerWaalsContact O-CG 3.28Å; G63-R67 WeakPolarHBondContact O-CG 3.16Å; G63-R67 PolarHBondContact O-N 2.82Å; G63-R67 VanDerWaalsContact O-N 3.15Å; G63-R67 PolarHBondContact O-NE 2.82Å; G63-C237 WeakPolarHBondContact CA-SG 3.25Å
64T98.2Very high97.3Very high2 Ų237.2 Ų37.21%0.01219%0.188CC..Hα-helixtrans-61.2-50.1170.6-58.60000110.1F60 S61 A66 R67 L68 Y243 E244 W245F60-T64 HydrophobicContact CB-CG2 3.91Å; F60-T64 HydrophobicContact CD1-CG2 4.3Å; F60-T64 HydrophobicContact CD2-CG2 4.2Å; F60-T64 HydrophobicContact CG-CG2 3.91Å; S61-T64 PolarHBondContact O-N 3.27Å; S61-T64 PolarHBondContact OG-N 3.42Å; S61-T64 PolarHBondContact OG-OG1 3.29Å; T64-A66 PolarHBondContact O-N 2.89Å; T64-R67 PolarHBondContact O-N 2.88Å; T64-L68 HydrophobicContact CG2-CD1 3.89Å; T64-L68 HydrophobicContact CG2-CG 4.28Å; T64-L68 WeakPolarHBondContact O-CB 3.27Å; T64-L68 WeakPolarHBondContact O-CG 3.41Å; T64-L68 PolarHBondContact O-N 3.26Å; T64-Y243 HydrophobicContact CG2-CD1 3.57Å; T64-Y243 HydrophobicContact CG2-CE1 4.09Å; T64-E244 VanDerWaalsContact CB-OE2 3.31Å; T64-E244 WeakPolarHBondContact CB-OE2 3.47Å; T64-E244 PolarHBondContact OG1-OE2 2.96Å; T64-W245 HydrophobicContact CG2-CH2 3.89Å; T64-W245 HydrophobicContact CG2-CZ3 3.74Å
65T98.7Very high97.4Very high0 Ų029.1 Ų29.10%016%0.157CC..Hα-helixtrans-56.9-48.8-179.1-59.80000111.9S61 G69 L164 F167 A168 F203S61-T65 WeakPolarHBondContact O-CB 3.35Å; S61-T65 PolarHBondContact O-N 2.9Å; S61-T65 PolarHBondContact O-OG1 2.8Å; T65-G69 PolarHBondContact O-N 2.9Å; T65-L164 HydrophobicContact CG2-CB 4.04Å; T65-L164 HydrophobicContact CG2-CD2 3.95Å; T65-L164 WeakPolarHBondContact CG2-O 3.36Å; T65-F167 HydrophobicContact CG2-CB 3.88Å; T65-A168 HydrophobicContact CG2-CB 4.21Å; T65-F203 HydrophobicContact CG2-CZ 4.25Å
66A98.6Very high97.5Very high2 Ų226.1 Ų26.12%0.01714%0.143CC..Hα-helixtrans-62.7-46.2179.800000112L62 T64 G69 V70 L228 V231L62-A66 VanDerWaalsContact O-CB 3.25Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 3.15Å; T64-A66 PolarHBondContact O-N 2.89Å; A66-G69 PolarHBondContact O-N 2.97Å; A66-V70 WeakPolarHBondContact O-CG2 3.49Å; A66-V70 PolarHBondContact O-N 2.81Å; A66-L228 HydrophobicContact CB-CB 4.4Å; A66-L228 WeakPolarHBondContact CB-O 3.05Å; A66-V231 HydrophobicContact CB-CB 4.14Å; A66-V231 HydrophobicContact CB-CG1 4.07Å
67R98.5Very high97.7Very high18 Ų1827.5 Ų27.57%0.06815%0.145CC..Hα-helixtrans-66.7-40.6-179.2-70.2-178.4-59.8132.6-13.4112.9G63 T64 G69 Q71 S238 D241 K242 Y243G63-R67 WeakPolarHBondContact O-CB 3.11Å; G63-R67 VanDerWaalsContact O-CG 3.28Å; G63-R67 WeakPolarHBondContact O-CG 3.16Å; G63-R67 PolarHBondContact O-N 2.82Å; G63-R67 VanDerWaalsContact O-N 3.15Å; G63-R67 PolarHBondContact O-NE 2.82Å; T64-R67 PolarHBondContact O-N 2.88Å; R67-G69 VanDerWaalsContact C-N 3.35Å; R67-Q71 PolarHBondContact O-N 3.43Å; R67-S238 VanDerWaalsContact CD-O 3.24Å; R67-S238 WeakPolarHBondContact CD-O 3.32Å; R67-D241 PolarHBondContact NH1-O 2.79Å; R67-K242 PolarHBondContact NH2-O 2.93Å; R67-Y243 HydrophobicContact CB-CE1 4.11Å; R67-Y243 VanDerWaalsContact CZ-CE1 3.48Å; R67-Y243 VanDerWaalsContact NH1-CE1 3.34Å
68L98.7Very high98.1Very high0 Ų021.6 Ų21.60%012%0.12CC..Hα-helixtrans-62.4-45.3171.5-69.7177.2000110.7L49 F60 T64 V70 Q71 C72 V106 F167 Y243 W245L49-L68 HydrophobicContact CD1-CD1 4.42Å; L49-L68 HydrophobicContact CD1-CD2 4.45Å; L49-L68 HydrophobicContact CD2-CD1 4.18Å; L49-L68 HydrophobicContact CD2-CD2 3.83Å; F60-L68 HydrophobicContact CD2-CD1 3.92Å; F60-L68 HydrophobicContact CE2-CD1 3.78Å; T64-L68 HydrophobicContact CG2-CD1 3.89Å; T64-L68 HydrophobicContact CG2-CG 4.28Å; T64-L68 WeakPolarHBondContact O-CB 3.27Å; T64-L68 WeakPolarHBondContact O-CG 3.41Å; T64-L68 PolarHBondContact O-N 3.26Å; L68-V70 VanDerWaalsContact C-N 3.31Å; L68-V70 PolarHBondContact O-N 3.45Å; L68-Q71 PolarHBondContact O-N 3.39Å; L68-C72 PolarHBondContact O-N 2.97Å; L68-C72 PolarHBondContact O-SG 3.44Å; L68-V106 HydrophobicContact CD2-CG2 3.76Å; L68-F167 HydrophobicContact CD1-CE2 4.42Å; L68-Y243 HydrophobicContact CD2-CE1 3.92Å; L68-Y243 HydrophobicContact CG-CE1 3.97Å; L68-W245 HydrophobicContact CD1-CH2 4.02Å; L68-W245 HydrophobicContact CD2-CH2 4.19Å; L68-W245 HydrophobicContact CG-CH2 4.45Å
69G98.8Very high98.4Very high0 Ų015.8 Ų15.80%09%0.085CC..Hα-helixtrans-59.9-37.8-179.700000113.8T65 A66 R67 C72 L73T65-G69 PolarHBondContact O-N 2.9Å; A66-G69 PolarHBondContact O-N 2.97Å; R67-G69 VanDerWaalsContact C-N 3.35Å; G69-C72 PolarHBondContact O-N 3.24Å; G69-L73 WeakPolarHBondContact O-CB 3.49Å; G69-L73 PolarHBondContact O-N 3.38Å
70V98.7Very high98.5Very high16 Ų1615.5 Ų15.510%0.0978%0.082CC..Hα-helixtrans-59.8-52.2174170.60000110.3A66 L68 C72 L73 E74 I225 L228A66-V70 WeakPolarHBondContact O-CG2 3.49Å; A66-V70 PolarHBondContact O-N 2.81Å; L68-V70 VanDerWaalsContact C-N 3.31Å; L68-V70 PolarHBondContact O-N 3.45Å; V70-C72 PolarHBondContact O-N 3Å; V70-L73 PolarHBondContact O-N 3.24Å; V70-L73 VanDerWaalsContact O-N 3.16Å; V70-E74 HydrophobicContact CG1-CG 4.46Å; V70-E74 WeakPolarHBondContact O-CG 3.39Å; V70-E74 PolarHBondContact O-N 3.28Å; V70-I225 HydrophobicContact CG1-CG2 4.16Å; V70-I225 HydrophobicContact CG2-CG2 4.29Å; V70-L228 HydrophobicContact CG2-CB 3.72Å; V70-L228 HydrophobicContact CG2-CD1 4.04Å
71Q98.8Very high98.5Very high28 Ų2818 Ų1813%0.1319%0.094CC..Hα-helixtrans-63.6-40.9-179.5-63-167.265.400112.4H24 R67 L68 L73 E74 A75 R104 V106 Y243H24-Q71 PolarHBondContact CE1-OE1 3.38Å; R67-Q71 PolarHBondContact O-N 3.43Å; L68-Q71 PolarHBondContact O-N 3.39Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 3.18Å; Q71-E74 PolarHBondContact O-N 2.74Å; Q71-A75 WeakPolarHBondContact O-CB 3.25Å; Q71-A75 PolarHBondContact O-N 2.06Å; Q71-R104 PolarHBondContact NE2-O 3Å; Q71-R104 PolarHBondContact OE1-O 3.26Å; Q71-V106 HydrophobicContact CB-CB 3.8Å; Q71-V106 HydrophobicContact CB-CG2 3.96Å; Q71-V106 HydrophobicContact CG-CG2 4.49Å; Q71-Y243 PolarHBondContact NE2-OH 3.33Å; Q71-Y243 VanDerWaalsContact NE2-OH 3.15Å
72C98.9Very high98.5Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-61.5-41.2174.9-660000111.7L68 G69 V70 A75 I76 F94 L160L68-C72 PolarHBondContact O-N 2.97Å; L68-C72 PolarHBondContact O-SG 3.44Å; G69-C72 PolarHBondContact O-N 3.24Å; V70-C72 PolarHBondContact O-N 3Å; C72-A75 WeakPolarHBondContact O-CB 3.34Å; C72-A75 PolarHBondContact O-N 3.15Å; C72-I76 VanDerWaalsContact O-CG1 3.26Å; C72-I76 WeakPolarHBondContact O-CG1 3.47Å; C72-I76 PolarHBondContact O-N 3.3Å; C72-F94 HydrophobicContact CB-CD1 4.2Å; C72-F94 HydrophobicContact CB-CE1 3.76Å; C72-F94 HydrophobicContact CB-CE2 4.45Å; C72-F94 HydrophobicContact CB-CZ 3.9Å; C72-L160 HydrophobicContact CB-CD1 3.57Å; C72-L160 HydrophobicContact CB-CD2 4.46Å
73L98.8Very high98.5Very high0 Ų014.6 Ų14.60%07%0.074CC..Hα-helixtrans-69.6-37179.8-173.359.6000112G69 V70 Q71 I76 H77 L157 L160 Y221 F224 I225G69-L73 WeakPolarHBondContact O-CB 3.49Å; G69-L73 PolarHBondContact O-N 3.38Å; V70-L73 PolarHBondContact O-N 3.24Å; V70-L73 VanDerWaalsContact O-N 3.16Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 3.18Å; L73-I76 PolarHBondContact O-N 3.3Å; L73-H77 VanDerWaalsContact O-CB 3.28Å; L73-H77 WeakPolarHBondContact O-CB 3.3Å; L73-H77 PolarHBondContact O-N 3.19Å; L73-L157 HydrophobicContact CD1-CD2 3.97Å; L73-L157 HydrophobicContact CD1-CG 4.13Å; L73-L160 HydrophobicContact CB-CD2 3.86Å; L73-L160 HydrophobicContact CD1-CD2 3.93Å; L73-L160 HydrophobicContact CG-CD2 4.43Å; L73-Y221 HydrophobicContact CD1-CD1 3.82Å; L73-Y221 HydrophobicContact CD1-CE1 4.44Å; L73-Y221 HydrophobicContact CG-CD1 4.31Å; L73-F224 HydrophobicContact CD2-CB 3.48Å; L73-F224 VanDerWaalsContact CD2-CB 3.48Å; L73-I225 HydrophobicContact CB-CG1 4.48Å; L73-I225 HydrophobicContact CD2-CB 4.45Å; L73-I225 HydrophobicContact CD2-CG1 3.57Å; L73-I225 HydrophobicContact CG-CG1 4.12Å
74E98.8Very high98.5Very high65 Ų6514.5 Ų14.530%0.3047%0.072SC..Hα-helixtrans-62.5-42.9171.6-72171.914600111.3H24 V70 Q71 H77 D78 I225H24-E74 IonicContact CE1-OE2 3.83Å; H24-E74 IonicContact NE2-OE2 2.93Å; H24-E74 PolarHBondContact NE2-OE2 3.19Å; V70-E74 HydrophobicContact CG1-CG 4.46Å; V70-E74 WeakPolarHBondContact O-CG 3.39Å; V70-E74 PolarHBondContact O-N 3.28Å; Q71-E74 PolarHBondContact O-N 2.74Å; E74-H77 WeakPolarHBondContact O-CB 3.33Å; E74-H77 PolarHBondContact O-N 3.44Å; E74-D78 PolarHBondContact O-N 2.98Å; E74-I225 HydrophobicContact CG-CD1 3.85Å
75A98.8Very high98.5Very high1 Ų114.5 Ų14.51%0.0087%0.071CC..Hα-helixtrans-62.2-45.5175.100000112.7H24 Q71 C72 D78 L79 F94 I108H24-A75 HydrophobicContact CB-CB 3.44Å; H24-A75 VanDerWaalsContact CB-CB 3.44Å; Q71-A75 WeakPolarHBondContact O-CB 3.25Å; Q71-A75 PolarHBondContact O-N 2.06Å; C72-A75 WeakPolarHBondContact O-CB 3.34Å; C72-A75 PolarHBondContact O-N 3.15Å; A75-D78 PolarHBondContact O-N 3.15Å; A75-L79 PolarHBondContact O-N 2.91Å; A75-L79 VanDerWaalsContact O-N 3.14Å; A75-F94 HydrophobicContact CB-CE1 4.18Å; A75-I108 HydrophobicContact CB-CB 3.98Å; A75-I108 HydrophobicContact CB-CG2 3.85Å
76I98.9Very high98.5Very high0 Ų014.5 Ų14.50%07%0.071CC..Hα-helixtrans-64.2-42.2176.6-70.4167.6000110.6C72 L73 D78 L79 H80 I89 F94 I108 D156 L160 Y221C72-I76 VanDerWaalsContact O-CG1 3.26Å; C72-I76 WeakPolarHBondContact O-CG1 3.47Å; C72-I76 PolarHBondContact O-N 3.3Å; L73-I76 PolarHBondContact O-N 3.3Å; I76-D78 VanDerWaalsContact C-N 3.35Å; I76-D78 PolarHBondContact O-N 3.46Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 3.07Å; I76-H80 WeakPolarHBondContact CG2-CE1 3.3Å; I76-H80 WeakPolarHBondContact O-CB 3.37Å; I76-H80 PolarHBondContact O-CD2 3.49Å; I76-H80 VanDerWaalsContact O-CG 3.27Å; I76-H80 PolarHBondContact O-N 3.37Å; I76-I89 HydrophobicContact CD1-CD1 3.9Å; I76-I89 HydrophobicContact CD1-CG1 4.22Å; I76-I89 HydrophobicContact CD1-CG2 4.23Å; I76-I89 HydrophobicContact CG1-CD1 3.84Å; I76-F94 HydrophobicContact CD1-CZ 4.13Å; I76-F94 HydrophobicContact CG1-CZ 4.17Å; I76-I108 HydrophobicContact CG1-CD1 4.29Å; I76-D156 HydrophobicContact CG2-CB 4.19Å; I76-L160 HydrophobicContact CD1-CB 4.05Å; I76-L160 HydrophobicContact CD1-CD2 4.05Å; I76-L160 HydrophobicContact CD1-CG 4.47Å; I76-Y221 HydrophobicContact CG2-CE1 4.5Å
77H98.7Very high98.5Very high64 Ų6416.1 Ų16.130%0.2968%0.077SC..Hα-helixtrans-55.9-49.3175.3166.9-115.2000111.1L73 E74 L79 H80 M81 Y221L73-H77 VanDerWaalsContact O-CB 3.28Å; L73-H77 WeakPolarHBondContact O-CB 3.3Å; L73-H77 PolarHBondContact O-N 3.19Å; E74-H77 WeakPolarHBondContact O-CB 3.33Å; E74-H77 PolarHBondContact O-N 3.44Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-L79 PolarHBondContact O-N 2.95Å; H77-H80 PolarHBondContact O-N 3.23Å; H77-H80 VanDerWaalsContact O-N 3.15Å; H77-M81 VanDerWaalsContact NE2-CG 3.32Å; H77-M81 WeakPolarHBondContact NE2-CG 3.49Å; H77-M81 VanDerWaalsContact O-CG 3.3Å; H77-M81 WeakPolarHBondContact O-CG 3.5Å; H77-M81 PolarHBondContact O-N 3.27Å; H77-Y221 HydrophobicContact CB-CD1 3.64Å; H77-Y221 HydrophobicContact CB-CD2 4.27Å; H77-Y221 HydrophobicContact CB-CE1 3.97Å; H77-Y221 HydrophobicContact CB-CG 3.81Å; H77-Y221 AromaticContact CD2-CD2 3.32Å; H77-Y221 WeakPolarHBondContact CD2-CD2 3.36Å; H77-Y221 AromaticContact CD2-CE2 3.63Å; H77-Y221 AromaticContact CD2-CG 3.7Å; H77-Y221 AromaticContact CG-CG 3.97Å
78D98.6Very high98.5Very high17 Ų1716.1 Ų16.19%0.0918%0.079CC..Hα-helixtrans-60.7-40.1178.5-85.3-33000112.8L19 K22 E74 A75 I76 M81 V82L19-D78 HydrophobicContact CD2-CB 4.42Å; K22-D78 HydrophobicContact CB-CB 4.4Å; K22-D78 HydrophobicContact CD-CB 4.26Å; K22-D78 WeakPolarHBondContact CE-OD1 3.49Å; K22-D78 HydrophobicContact CG-CB 4.15Å; K22-D78 IonicContact NZ-OD1 2.82Å; K22-D78 PolarHBondContact NZ-OD1 2.85Å; E74-D78 PolarHBondContact O-N 2.98Å; A75-D78 PolarHBondContact O-N 3.15Å; I76-D78 VanDerWaalsContact C-N 3.35Å; I76-D78 PolarHBondContact O-N 3.46Å; D78-M81 PolarHBondContact O-N 3.33Å; D78-V82 PolarHBondContact O-N 3.4Å
79L98.7Very high98.5Very high0 Ų016.2 Ų16.20%08%0.079CC..Hα-helixtrans-59.9-46.4172.2178.865.8000112.2V15 L19 A75 I76 H77 M81 V82 F84 H86 I108 F111V15-L79 HydrophobicContact CG1-CD1 3.61Å; L19-L79 HydrophobicContact CD1-CD1 3.87Å; A75-L79 PolarHBondContact O-N 2.91Å; A75-L79 VanDerWaalsContact O-N 3.14Å; I76-L79 WeakPolarHBondContact O-CB 3.37Å; I76-L79 PolarHBondContact O-N 3.07Å; H77-L79 VanDerWaalsContact C-N 3.33Å; H77-L79 PolarHBondContact O-N 2.95Å; L79-M81 VanDerWaalsContact C-N 3.29Å; L79-M81 PolarHBondContact O-N 2.89Å; L79-V82 HydrophobicContact CD1-CG2 4.45Å; L79-V82 WeakPolarHBondContact O-CG2 3.43Å; L79-V82 PolarHBondContact O-N 2.94Å; L79-F84 CarbonylContact C-O 3.55Å; L79-F84 HydrophobicContact CD1-CB 3.63Å; L79-F84 HydrophobicContact CG-CB 4.19Å; L79-F84 PolarHBondContact O-N 2.88Å; L79-H86 HydrophobicContact CD2-CB 3.57Å; L79-I108 HydrophobicContact CD2-CD1 4.46Å; L79-F111 HydrophobicContact CD1-CD1 4.04Å; L79-F111 HydrophobicContact CD1-CE1 4.04Å; L79-F111 HydrophobicContact CD2-CD1 4.45Å; L79-F111 HydrophobicContact CD2-CE1 4.38Å
80H98.5Very high98.5Very high0 Ų016.3 Ų16.30%08%0.08CC..Hα-helixtrans-65.8-35.5179.6-68.2-179.6000111.5I76 H77 V82 G83 F84 F117 C153 D156 Y221I76-H80 WeakPolarHBondContact CG2-CE1 3.3Å; I76-H80 WeakPolarHBondContact O-CB 3.37Å; I76-H80 PolarHBondContact O-CD2 3.49Å; I76-H80 VanDerWaalsContact O-CG 3.27Å; I76-H80 PolarHBondContact O-N 3.37Å; H77-H80 PolarHBondContact O-N 3.23Å; H77-H80 VanDerWaalsContact O-N 3.15Å; H80-V82 VanDerWaalsContact C-N 3.25Å; H80-V82 PolarHBondContact O-N 3.41Å; H80-G83 WeakPolarHBondContact O-CA 3.35Å; H80-G83 PolarHBondContact O-N 3.02Å; H80-F84 WeakPolarHBondContact CA-O 3.47Å; H80-F84 PolarHBondContact CD2-O 2.89Å; H80-F117 HydrophobicContact CB-CE1 4.48Å; H80-F117 WeakPolarHBondContact O-CZ 3.37Å; H80-C153 VanDerWaalsContact CE1-CA 3.44Å; H80-C153 WeakPolarHBondContact CE1-CA 3.27Å; H80-C153 PolarHBondContact CE1-O 2.91Å; H80-D156 IonicContact CD2-OD2 3.09Å; H80-D156 IonicContact CE1-OD2 3.87Å; H80-D156 IonicContact NE2-OD2 2.76Å; H80-D156 PolarHBondContact NE2-OD2 3.44Å; H80-Y221 WeakPolarHBondContact CB-OH 3.42Å; H80-Y221 AromaticContact ND1-CE1 3.88Å; H80-Y221 AromaticContact ND1-CZ 3.65Å; H80-Y221 PolarHBondContact ND1-OH 3.15Å
81M97.4Very high98.5Very high60 Ų6015.6 Ų15.630%0.2968%0.075SC..Hα-helixtrans-69.9-18177.8-68.8-51.594.300114H77 D78 L79 G83 M120 I218 Y221H77-M81 VanDerWaalsContact NE2-CG 3.32Å; H77-M81 WeakPolarHBondContact NE2-CG 3.49Å; H77-M81 VanDerWaalsContact O-CG 3.3Å; H77-M81 WeakPolarHBondContact O-CG 3.5Å; H77-M81 PolarHBondContact O-N 3.27Å; D78-M81 PolarHBondContact O-N 3.33Å; L79-M81 VanDerWaalsContact C-N 3.29Å; L79-M81 PolarHBondContact O-N 2.89Å; M81-G83 VanDerWaalsContact C-N 3.34Å; M81-M120 HydrophobicContact CE-CE 4.06Å; M81-M120 WeakPolarHBondContact O-CG 3.43Å; M81-M120 HydrophobicContact SD-CE 4.24Å; M81-I218 HydrophobicContact CE-CG2 4.12Å; M81-Y221 HydrophobicContact CE-CE2 4.27Å
82V97.5Very high98.4Very high27 Ų2716.1 Ų16.116%0.1648%0.082CC..THydrogen-bonded Turntrans-91.54.3169-58.50000113.5K18 L19 D78 L79 H80 F84K18-V82 HydrophobicContact CB-CB 4.21Å; K18-V82 HydrophobicContact CB-CG1 4.35Å; K18-V82 HydrophobicContact CB-CG2 4.36Å; K18-V82 HydrophobicContact CD-CB 4.42Å; L19-V82 HydrophobicContact CD2-CG1 4.01Å; L19-V82 HydrophobicContact CD2-CG2 3.7Å; L19-V82 HydrophobicContact CG-CG2 4.06Å; D78-V82 PolarHBondContact O-N 3.4Å; L79-V82 HydrophobicContact CD1-CG2 4.45Å; L79-V82 WeakPolarHBondContact O-CG2 3.43Å; L79-V82 PolarHBondContact O-N 2.94Å; H80-V82 VanDerWaalsContact C-N 3.25Å; H80-V82 PolarHBondContact O-N 3.41Å; V82-F84 HydrophobicContact CG2-CD2 4.32Å; V82-F84 WeakPolarHBondContact O-CD2 3.43Å
83G97.8Very high98.4Very high0 Ų016.6 Ų16.60%09%0.085CC..THydrogen-bonded Turntrans90.615.217200000115.2H80 M81 Q116 F117 A118H80-G83 WeakPolarHBondContact O-CA 3.35Å; H80-G83 PolarHBondContact O-N 3.02Å; M81-G83 VanDerWaalsContact C-N 3.34Å; G83-Q116 CarbonylContact O-C 3.53Å; G83-Q116 VanDerWaalsContact O-CA 3.31Å; G83-Q116 WeakPolarHBondContact O-CA 3.17Å; G83-Q116 WeakPolarHBondContact O-CG 3.42Å; G83-F117 VanDerWaalsContact C-CD1 3.43Å; G83-F117 WeakPolarHBondContact O-CD1 3.43Å; G83-F117 PolarHBondContact O-N 2.89Å; G83-A118 WeakPolarHBondContact CA-O 3.36Å; G83-A118 PolarHBondContact O-N 3.5Å
84F98.4Very high98.4Very high5 Ų516.6 Ų16.62%0.0229%0.085CC..EExtended strand (participates in β ladder)trans-114.9149.1-178.6-76.1-96.8000111.7L11 Y14 V15 K18 L79 H80 V82 R115 Q116 F117L11-F84 HydrophobicContact CD1-CE1 4.25Å; Y14-F84 HydrophobicContact CD1-CZ 4.11Å; Y14-F84 HydrophobicContact CE1-CE2 4.11Å; Y14-F84 AromaticContact CE1-CZ 3.66Å; Y14-F84 HydrophobicContact CE1-CZ 3.66Å; V15-F84 HydrophobicContact CG2-CD1 3.68Å; V15-F84 HydrophobicContact CG2-CE1 3.83Å; V15-F84 HydrophobicContact CG2-CG 4.1Å; V15-F84 HydrophobicContact CG2-CZ 4.39Å; K18-F84 HydrophobicContact CD-CE2 4.08Å; L79-F84 CarbonylContact C-O 3.55Å; L79-F84 HydrophobicContact CD1-CB 3.63Å; L79-F84 HydrophobicContact CG-CB 4.19Å; L79-F84 PolarHBondContact O-N 2.88Å; H80-F84 WeakPolarHBondContact CA-O 3.47Å; H80-F84 PolarHBondContact CD2-O 2.89Å; V82-F84 HydrophobicContact CG2-CD2 4.32Å; V82-F84 WeakPolarHBondContact O-CD2 3.43Å; F84-R115 WeakPolarHBondContact CA-O 3.42Å; F84-R115 VanDerWaalsContact CD1-C 3.46Å; F84-Q116 HydrophobicContact CD1-CB 4.16Å; F84-Q116 HydrophobicContact CD2-CG 4.45Å; F84-Q116 HydrophobicContact CE1-CB 3.61Å; F84-Q116 HydrophobicContact CE1-CG 4.28Å; F84-Q116 HydrophobicContact CE2-CB 4.17Å; F84-Q116 HydrophobicContact CE2-CG 3.91Å; F84-Q116 HydrophobicContact CZ-CB 3.57Å; F84-Q116 HydrophobicContact CZ-CG 3.78Å; F84-F117 WeakPolarHBondContact O-CE1 3.27Å
85V98.4Very high98.4Very high1 Ų114 Ų141%0.0067%0.073CC..EExtended strand (participates in β ladder)trans-109.7146.6162.6-73.10000108.3R87 S114 R115 F117 D156V85-R87 HydrophobicContact CB-CG 4.27Å; V85-R87 HydrophobicContact CG2-CG 3.73Å; V85-S114 CarbonylContact O-C 3.58Å; V85-S114 WeakPolarHBondContact O-CA 3.12Å; V85-S114 WeakPolarHBondContact O-CB 3.49Å; V85-R115 HydrophobicContact CG2-CB 4.33Å; V85-R115 WeakPolarHBondContact CG2-O 3.33Å; V85-R115 PolarHBondContact N-O 3.05Å; V85-R115 PolarHBondContact O-N 3.23Å; V85-F117 HydrophobicContact CG1-CD1 3.67Å; V85-F117 HydrophobicContact CG1-CE1 4.17Å; V85-F117 HydrophobicContact CG1-CG 4.33Å; V85-D156 WeakPolarHBondContact CA-OD2 3.38Å; V85-D156 WeakPolarHBondContact CB-OD2 3.07Å
86H98.5Very high98.4Very high0 Ų014.3 Ų14.30%08%0.075CC..  trans-76.4-46.2-177.3-164-70000112.2L79 N88 I89 I108 I109 D110 M113 S114 D156L79-H86 HydrophobicContact CD2-CB 3.57Å; H86-N88 PolarHBondContact CE1-O 2.88Å; H86-N88 PolarHBondContact ND1-N 3.25Å; H86-N88 PolarHBondContact ND1-O 3Å; H86-N88 PolarHBondContact O-N 3.09Å; H86-I89 HydrophobicContact CB-CD1 3.53Å; H86-I89 HydrophobicContact CB-CG1 3.99Å; H86-I108 VanDerWaalsContact CD2-CD1 3.45Å; H86-I108 WeakPolarHBondContact CD2-CD1 3.26Å; H86-I109 PolarHBondContact NE2-O 2.81Å; H86-D110 PolarHBondContact CE1-O 3.11Å; H86-D110 PolarHBondContact NE2-O 3.4Å; H86-D110 VanDerWaalsContact NE2-O 3.14Å; H86-M113 CarbonylContact O-C 3.56Å; H86-M113 VanDerWaalsContact O-C 3.32Å; H86-S114 PolarHBondContact O-N 3.25Å; H86-D156 PolarHBondContact N-OD2 3.11Å
87R98.1Very high98.3Very high37 Ų3714.6 Ų14.614%0.148%0.077CC..SBendtrans6312.4-178.1-50.2-173.5-64.5164.30.8115.8V85 M113 S114 R115 G136 Q151 D156V85-R87 HydrophobicContact CB-CG 4.27Å; V85-R87 HydrophobicContact CG2-CG 3.73Å; R87-M113 PolarHBondContact NE-O 2.92Å; R87-M113 PolarHBondContact NH2-O 2.85Å; R87-S114 PolarHBondContact NH2-O 2.9Å; R87-S114 VanDerWaalsContact NH2-O 3.11Å; R87-R115 VanDerWaalsContact CZ-CB 3.47Å; R87-G136 VanDerWaalsContact O-CA 3.23Å; R87-G136 WeakPolarHBondContact O-CA 3.48Å; R87-Q151 HydrophobicContact CG-CB 3.97Å; R87-D156 WeakPolarHBondContact CA-OD1 3.36Å; R87-D156 PolarHBondContact N-OD1 3.37Å
88N97.9Very high98.2Very high18 Ų1815.7 Ų15.710%0.0969%0.085CC..  trans-153.249174.6-16334.6000111.3H86 T90 N93 M113 G136 T137H86-N88 PolarHBondContact CE1-O 2.88Å; H86-N88 PolarHBondContact ND1-N 3.25Å; H86-N88 PolarHBondContact ND1-O 3Å; H86-N88 PolarHBondContact O-N 3.09Å; N88-T90 PolarHBondContact O-N 3.48Å; N88-N93 PolarHBondContact ND2-ND2 3.24Å; N88-N93 PolarHBondContact O-ND2 3.45Å; N88-M113 HydrophobicContact CB-CB 4.17Å; N88-M113 HydrophobicContact CB-CG 4.25Å; N88-M113 HydrophobicContact CB-SD 3.84Å; N88-G136 WeakPolarHBondContact OD1-CA 3.28Å; N88-T137 PolarHBondContact OD1-N 3.27Å; N88-T137 PolarHBondContact OD1-OG1 3.31Å
89I98.8Very high98Very high1 Ų119.5 Ų19.51%0.00510%0.102CC..  trans-69.2113.3174.4-64.9-57.4000108.4I76 H86 F94 I108 D156 L160 M163I76-I89 HydrophobicContact CD1-CD1 3.9Å; I76-I89 HydrophobicContact CD1-CG1 4.22Å; I76-I89 HydrophobicContact CD1-CG2 4.23Å; I76-I89 HydrophobicContact CG1-CD1 3.84Å; H86-I89 HydrophobicContact CB-CD1 3.53Å; H86-I89 HydrophobicContact CB-CG1 3.99Å; I89-F94 HydrophobicContact CD1-CE2 4.27Å; I89-F94 HydrophobicContact CD1-CZ 4.1Å; I89-F94 HydrophobicContact CG2-CE2 4.02Å; I89-I108 HydrophobicContact CD1-CD1 3.89Å; I89-D156 HydrophobicContact CG1-CB 3.77Å; I89-L160 HydrophobicContact CG2-CB 4.15Å; I89-M163 HydrophobicContact CG2-SD 3.67Å
90T98.5Very high97.7Very high3 Ų329.8 Ų29.82%0.01814%0.141CC..  trans-147.2160.5-178.265.60000110N88 S92 N93 F94 T137 Y140 M163N88-T90 PolarHBondContact O-N 3.48Å; T90-S92 PolarHBondContact O-N 2.83Å; T90-S92 PolarHBondContact OG1-N 3.49Å; T90-S92 PolarHBondContact OG1-OG 3.18Å; T90-N93 PolarHBondContact O-N 3.31Å; T90-N93 VanDerWaalsContact O-N 3.09Å; T90-N93 PolarHBondContact OG1-N 2.9Å; T90-F94 WeakPolarHBondContact O-CD2 3.4Å; T90-T137 HydrophobicContact CG2-CG2 4.32Å; T90-T137 WeakPolarHBondContact CG2-OG1 3.4Å; T90-Y140 HydrophobicContact CG2-CD2 3.78Å; T90-Y140 HydrophobicContact CG2-CE2 4.37Å; T90-M163 VanDerWaalsContact CA-SD 3.52Å
91P98.7Very high97.4Very high1 Ų137.2 Ų37.21%0.00618%0.176CC..G310 helixtrans-60.3-24.9174.7-23.936000113.9L49 E50 N93 Y140 M163 F167L49-P91 HydrophobicContact CB-CB 4.27Å; L49-P91 WeakPolarHBondContact CB-O 3.33Å; L49-P91 PolarHBondContact N-O 3.28Å; E50-P91 HydrophobicContact CB-CB 3.84Å; E50-P91 PolarHBondContact N-O 2.99Å; P91-N93 VanDerWaalsContact C-N 3.31Å; P91-Y140 VanDerWaalsContact CD-CE2 3.46Å; P91-Y140 VanDerWaalsContact CD-CZ 3.4Å; P91-Y140 HydrophobicContact CG-CE1 4.26Å; P91-Y140 HydrophobicContact CG-CE2 4.31Å; P91-Y140 WeakPolarHBondContact CG-OH 3.14Å; P91-M163 HydrophobicContact CB-CE 4.3Å; P91-M163 HydrophobicContact CG-CE 3.97Å; P91-M163 HydrophobicContact CG-CG 3.99Å; P91-M163 HydrophobicContact CG-SD 4.38Å; P91-F167 HydrophobicContact CB-CE1 4.01Å; P91-F167 HydrophobicContact CB-CZ 3.92Å; P91-F167 HydrophobicContact CG-CE1 3.84Å; P91-F167 HydrophobicContact CG-CZ 3.95Å
92S98.4Very high97.3Very high39 Ų3935.1 Ų35.127%0.27317%0.166SC..G310 helixtrans-72.4-25.5177.667.50000112.9T90T90-S92 PolarHBondContact O-N 2.83Å; T90-S92 PolarHBondContact OG1-N 3.49Å; T90-S92 PolarHBondContact OG1-OG 3.18Å
93N98.7Very high97.2Very high10 Ų1038.2 Ų38.25%0.05318%0.175CC..G310 helixtrans-96.99.6-175.6-69.8-2.5000113N88 T90 P91 I109 D110N88-N93 PolarHBondContact ND2-ND2 3.24Å; N88-N93 PolarHBondContact O-ND2 3.45Å; T90-N93 PolarHBondContact O-N 3.31Å; T90-N93 VanDerWaalsContact O-N 3.09Å; T90-N93 PolarHBondContact OG1-N 2.9Å; P91-N93 VanDerWaalsContact C-N 3.31Å; N93-I109 WeakPolarHBondContact O-CG1 3.47Å; N93-I109 PolarHBondContact O-N 3.24Å; N93-D110 PolarHBondContact ND2-OD2 2.96Å
94F98.9Very high97.1Very high0 Ų041.3 Ų41.30%019%0.187CC..EExtended strand (participates in β ladder)trans-119.8129.4164.7-69.3-83.2000109.4S48 L49 C72 A75 I76 I89 T90 V106 Y107 I108 M163S48-F94 CarbonylContact C-O 3.6Å; S48-F94 VanDerWaalsContact CA-O 3.27Å; S48-F94 WeakPolarHBondContact CA-O 3.31Å; L49-F94 HydrophobicContact CD1-CB 3.62Å; L49-F94 HydrophobicContact CD1-CG 4.38Å; L49-F94 HydrophobicContact CG-CB 3.81Å; L49-F94 PolarHBondContact N-O 3.24Å; C72-F94 HydrophobicContact CB-CD1 4.2Å; C72-F94 HydrophobicContact CB-CE1 3.76Å; C72-F94 HydrophobicContact CB-CE2 4.45Å; C72-F94 HydrophobicContact CB-CZ 3.9Å; A75-F94 HydrophobicContact CB-CE1 4.18Å; I76-F94 HydrophobicContact CD1-CZ 4.13Å; I76-F94 HydrophobicContact CG1-CZ 4.17Å; I89-F94 HydrophobicContact CD1-CE2 4.27Å; I89-F94 HydrophobicContact CD1-CZ 4.1Å; I89-F94 HydrophobicContact CG2-CE2 4.02Å; T90-F94 WeakPolarHBondContact O-CD2 3.4Å; F94-V106 HydrophobicContact CB-CG1 3.87Å; F94-V106 HydrophobicContact CD1-CG1 3.67Å; F94-V106 HydrophobicContact CG-CG1 4.17Å; F94-Y107 VanDerWaalsContact CA-O 3.3Å; F94-Y107 WeakPolarHBondContact CA-O 3.49Å; F94-I108 HydrophobicContact CD1-CB 4.08Å; F94-I108 HydrophobicContact CD1-CG1 4.36Å; F94-I108 HydrophobicContact CE1-CB 3.76Å; F94-I108 HydrophobicContact CE1-CD1 3.98Å; F94-I108 HydrophobicContact CE1-CG1 3.85Å; F94-I108 HydrophobicContact CZ-CD1 3.93Å; F94-I108 HydrophobicContact CZ-CG1 4.11Å; F94-M163 HydrophobicContact CD2-CE 3.79Å; F94-M163 HydrophobicContact CE2-CE 4.07Å; F94-M163 HydrophobicContact CE2-SD 4.33Å
95V98.7Very high97.1Very high9 Ų942.8 Ų42.86%0.05520%0.197CC..EExtended strand (participates in β ladder)trans-128.5152.8-176.6-65.40000110.6L26 A45 K47 V106 Y107 I109L26-V95 HydrophobicContact CD1-CG2 4.42Å; A45-V95 HydrophobicContact CB-CB 3.88Å; A45-V95 HydrophobicContact CB-CG2 3.44Å; A45-V95 VanDerWaalsContact CB-CG2 3.44Å; K47-V95 WeakPolarHBondContact O-CA 3.42Å; V95-V106 CarbonylContact O-C 3.47Å; V95-V106 WeakPolarHBondContact O-CA 3.42Å; V95-Y107 PolarHBondContact N-O 3.2Å; V95-Y107 PolarHBondContact O-N 2.69Å; V95-I109 HydrophobicContact CG1-CD1 3.64Å; V95-I109 HydrophobicContact CG1-CG1 4.35Å; V95-I109 HydrophobicContact CG2-CD1 4.36Å; V95-I109 HydrophobicContact CG2-CG2 3.81Å
96L98.4Very high97.1Very high9 Ų942.8 Ų42.85%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-82.4161.8171.3-65.6-178.7000111.3G46 K47 L49 L52 T105 V106 W245G46-L96 WeakPolarHBondContact CA-O 3.24Å; G46-L96 PolarHBondContact N-O 2.76Å; K47-L96 PolarHBondContact O-N 3.3Å; L49-L96 HydrophobicContact CD2-CD2 4.37Å; L52-L96 HydrophobicContact CD1-CD1 3.49Å; L52-L96 VanDerWaalsContact CD1-CD1 3.49Å; L52-L96 HydrophobicContact CD1-CG 4.04Å; L96-T105 CarbonylContact C-O 3.5Å; L96-T105 WeakPolarHBondContact CA-O 3.2Å; L96-V106 HydrophobicContact CD2-CG2 3.91Å; L96-W245 HydrophobicContact CD1-CZ2 3.87Å
97G97.7Very high97.1Very high5 Ų543.6 Ų43.65%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-63.1153.816500000111.9N102 Y103 T105G97-N102 WeakPolarHBondContact CA-O 3.31Å; G97-N102 VanDerWaalsContact CA-OD1 3.23Å; G97-N102 WeakPolarHBondContact CA-OD1 3.4Å; G97-N102 PolarHBondContact N-O 3.37Å; G97-Y103 WeakPolarHBondContact O-CA 3.44Å; G97-T105 PolarHBondContact N-O 3.42Å
98N95.7Very high97.2Very high87 Ų8742 Ų4247%0.46519%0.194SC..SBendtrans-102.7-0.8-179.6-165.853.5000113.2L44 N102L44-N98 VanDerWaalsContact O-CB 3.24Å; L44-N98 WeakPolarHBondContact O-CB 3.39Å; N98-N102 PolarHBondContact N-OD1 2.97Å
99E94.1Very high97.2Very high97 Ų9743 Ų4345%0.45320%0.199SC..SBendtrans-114.3157.1-174.5-59.6173162.600110.9E101 N102 Y103E99-E101 PolarHBondContact O-N 3.37Å; E99-E101 VanDerWaalsContact O-N 3.08Å; E99-N102 WeakPolarHBondContact CB-OD1 3.5Å; E99-N102 PolarHBondContact N-OD1 3.35Å; E99-N102 CarbonylContact O-C 3.56Å; E99-N102 PolarHBondContact O-N 3.36Å; E99-N102 PolarHBondContact O-OD1 2.76Å; E99-N102 PolarHBondContact OE2-ND2 3.45Å; E99-N102 VanDerWaalsContact OE2-ND2 3.13Å; E99-Y103 WeakPolarHBondContact O-CB 3.36Å; E99-Y103 PolarHBondContact O-N 3.04Å
100R92.1Very high97Very high217 Ų21745.3 Ų45.382%0.81921%0.211SC*.THydrogen-bonded Turntrans-58.3-28.2-176.6-175.7179.1179.6-178.81.8113Y103R100-Y103 WeakPolarHBondContact O-CD1 3.48Å; R100-Y103 WeakPolarHBondContact O-CE1 3.49Å
101E93.3Very high96.9Very high155 Ų15545.2 Ų45.272%0.72421%0.21SC*.THydrogen-bonded Turntrans-82-22.5-178-62.972.7-161.100112.5E99E99-E101 PolarHBondContact O-N 3.37Å; E99-E101 VanDerWaalsContact O-N 3.08Å
102N94.8Very high96.7Very high17 Ų1746.5 Ų46.59%0.09122%0.222CC..THydrogen-bonded Turntrans-1327.4-171.361.236.3000115Q43 G97 N98 E99 R104 T105 Y107Q43-N102 PolarHBondContact NE2-ND2 3.2Å; G97-N102 WeakPolarHBondContact CA-O 3.31Å; G97-N102 VanDerWaalsContact CA-OD1 3.23Å; G97-N102 WeakPolarHBondContact CA-OD1 3.4Å; G97-N102 PolarHBondContact N-O 3.37Å; N98-N102 PolarHBondContact N-OD1 2.97Å; E99-N102 WeakPolarHBondContact CB-OD1 3.5Å; E99-N102 PolarHBondContact N-OD1 3.35Å; E99-N102 CarbonylContact O-C 3.56Å; E99-N102 PolarHBondContact O-N 3.36Å; E99-N102 PolarHBondContact O-OD1 2.76Å; E99-N102 PolarHBondContact OE2-ND2 3.45Å; E99-N102 VanDerWaalsContact OE2-ND2 3.13Å; N102-R104 PolarHBondContact O-N 3.38Å; N102-T105 VanDerWaalsContact O-CB 3.31Å; N102-T105 WeakPolarHBondContact O-CB 3.49Å; N102-T105 PolarHBondContact O-N 3.35Å; N102-Y107 WeakPolarHBondContact CB-OH 3.47Å
103Y95.3Very high96.6Very high91 Ų9147.7 Ų47.736%0.35722%0.223SC..THydrogen-bonded Turntrans-59.1-16.5-177.675.3-72.9000115.5G97 E99 R100 E246G97-Y103 WeakPolarHBondContact O-CA 3.44Å; E99-Y103 WeakPolarHBondContact O-CB 3.36Å; E99-Y103 PolarHBondContact O-N 3.04Å; R100-Y103 WeakPolarHBondContact O-CD1 3.48Å; R100-Y103 WeakPolarHBondContact O-CE1 3.49Å; Y103-E246 HydrophobicContact CE2-CG 4.22Å; Y103-E246 WeakPolarHBondContact CE2-OE2 3.28Å; Y103-E246 PolarHBondContact OH-OE2 2.91Å
104R96.4Very high96.5Very high65 Ų6547.3 Ų47.325%0.24522%0.222CC..THydrogen-bonded Turntrans-100.2-4.8173.4-66.5-177.8-178.9171.41.5113.9Q71 N102 T240 Y243 E246Q71-R104 PolarHBondContact NE2-O 3Å; Q71-R104 PolarHBondContact OE1-O 3.26Å; N102-R104 PolarHBondContact O-N 3.38Å; R104-T240 PolarHBondContact NH1-O 3.16Å; R104-Y243 HydrophobicContact CB-CE2 4.08Å; R104-Y243 HydrophobicContact CG-CD2 4.24Å; R104-Y243 HydrophobicContact CG-CE2 4.21Å; R104-E246 IonicContact CZ-OE1 3.36Å; R104-E246 IonicContact CZ-OE2 3.52Å; R104-E246 VanDerWaalsContact NE-CD 3.25Å; R104-E246 IonicContact NE-OE1 3.18Å; R104-E246 PolarHBondContact NE-OE1 2.85Å; R104-E246 IonicContact NE-OE2 2.89Å; R104-E246 PolarHBondContact NE-OE2 3.46Å; R104-E246 IonicContact NH2-OE1 2.78Å; R104-E246 IonicContact NH2-OE2 3.57Å; R104-E246 PolarHBondContact NH2-OE2 3.43Å
105T98.1Very high96.4Very high37 Ų3749.9 Ų49.923%0.22723%0.232CC..  trans-83.6128.7179.4-57.30000109.4L96 G97 N102 Y107L96-T105 CarbonylContact C-O 3.5Å; L96-T105 WeakPolarHBondContact CA-O 3.2Å; G97-T105 PolarHBondContact N-O 3.42Å; N102-T105 VanDerWaalsContact O-CB 3.31Å; N102-T105 WeakPolarHBondContact O-CB 3.49Å; N102-T105 PolarHBondContact O-N 3.35Å; T105-Y107 HydrophobicContact CG2-CD2 4.37Å; T105-Y107 HydrophobicContact CG2-CE1 4.04Å; T105-Y107 HydrophobicContact CG2-CE2 3.72Å; T105-Y107 WeakPolarHBondContact O-CD2 3.49Å; T105-Y107 WeakPolarHBondContact O-CE2 3.48Å
106V98.7Very high96.3Very high0 Ų052.5 Ų52.50%024%0.243CC..EExtended strand (participates in β ladder)trans-88.1136.5174.3179.20000109.4H24 L49 L68 Q71 F94 V95 L96H24-V106 WeakPolarHBondContact CB-O 3.23Å; H24-V106 PolarHBondContact ND1-O 3.22Å; L49-V106 HydrophobicContact CD1-CG1 4.43Å; L68-V106 HydrophobicContact CD2-CG2 3.76Å; Q71-V106 HydrophobicContact CB-CB 3.8Å; Q71-V106 HydrophobicContact CB-CG2 3.96Å; Q71-V106 HydrophobicContact CG-CG2 4.49Å; F94-V106 HydrophobicContact CB-CG1 3.87Å; F94-V106 HydrophobicContact CD1-CG1 3.67Å; F94-V106 HydrophobicContact CG-CG1 4.17Å; V95-V106 CarbonylContact O-C 3.47Å; V95-V106 WeakPolarHBondContact O-CA 3.42Å; L96-V106 HydrophobicContact CD2-CG2 3.91Å
107Y98.8Very high96.2Very high18 Ų1852.1 Ų52.17%0.07124%0.241CC..EExtended strand (participates in β ladder)trans-122.2137.7176.7-61-87.6000110.2P23 H24 L26 F94 V95 N102 T105P23-Y107 WeakPolarHBondContact O-CE1 3.35Å; H24-Y107 WeakPolarHBondContact O-CA 3.46Å; L26-Y107 HydrophobicContact CD2-CD1 3.8Å; L26-Y107 HydrophobicContact CD2-CD2 3.88Å; L26-Y107 HydrophobicContact CD2-CE1 4.29Å; L26-Y107 HydrophobicContact CD2-CE2 4.36Å; L26-Y107 HydrophobicContact CD2-CG 3.57Å; L26-Y107 HydrophobicContact CG-CD1 4.21Å; L26-Y107 HydrophobicContact CG-CG 4.08Å; F94-Y107 VanDerWaalsContact CA-O 3.3Å; F94-Y107 WeakPolarHBondContact CA-O 3.49Å; V95-Y107 PolarHBondContact N-O 3.2Å; V95-Y107 PolarHBondContact O-N 2.69Å; N102-Y107 WeakPolarHBondContact CB-OH 3.47Å; T105-Y107 HydrophobicContact CG2-CD2 4.37Å; T105-Y107 HydrophobicContact CG2-CE1 4.04Å; T105-Y107 HydrophobicContact CG2-CE2 3.72Å; T105-Y107 WeakPolarHBondContact O-CD2 3.49Å; T105-Y107 WeakPolarHBondContact O-CE2 3.48Å
108I98.8Very high96.1Very high2 Ų251.9 Ų51.91%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-88.2137.2171.7-168.5171.7000110.3H24 V25 A75 I76 L79 H86 I89 F94 F111H24-I108 PolarHBondContact O-N 2.77Å; V25-I108 HydrophobicContact CG2-CG2 4.47Å; A75-I108 HydrophobicContact CB-CB 3.98Å; A75-I108 HydrophobicContact CB-CG2 3.85Å; I76-I108 HydrophobicContact CG1-CD1 4.29Å; L79-I108 HydrophobicContact CD2-CD1 4.46Å; H86-I108 VanDerWaalsContact CD2-CD1 3.45Å; H86-I108 WeakPolarHBondContact CD2-CD1 3.26Å; I89-I108 HydrophobicContact CD1-CD1 3.89Å; F94-I108 HydrophobicContact CD1-CB 4.08Å; F94-I108 HydrophobicContact CD1-CG1 4.36Å; F94-I108 HydrophobicContact CE1-CB 3.76Å; F94-I108 HydrophobicContact CE1-CD1 3.98Å; F94-I108 HydrophobicContact CE1-CG1 3.85Å; F94-I108 HydrophobicContact CZ-CD1 3.93Å; F94-I108 HydrophobicContact CZ-CG1 4.11Å; I108-F111 HydrophobicContact CG1-CE1 4.42Å; I108-F111 HydrophobicContact CG2-CE1 4.11Å; I108-F111 HydrophobicContact CG2-CZ 3.9Å
109I97.7Very high96.1Very high40 Ų4050.5 Ų50.521%0.20523%0.231CC..  trans-136.6174.7-177.262.3164.5000111.4L26 H86 N93 V95L26-I109 HydrophobicContact CD1-CG2 3.58Å; L26-I109 HydrophobicContact CG-CG2 4.29Å; H86-I109 PolarHBondContact NE2-O 2.81Å; N93-I109 WeakPolarHBondContact O-CG1 3.47Å; N93-I109 PolarHBondContact O-N 3.24Å; V95-I109 HydrophobicContact CG1-CD1 3.64Å; V95-I109 HydrophobicContact CG1-CG1 4.35Å; V95-I109 HydrophobicContact CG2-CD1 4.36Å; V95-I109 HydrophobicContact CG2-CG2 3.81Å
110D95.9Very high96Very high49 Ų4949 Ų4926%0.26223%0.225SC..  trans61.271.8177.7-176.312.7000114.2H86 N93 A112H86-D110 PolarHBondContact CE1-O 3.11Å; H86-D110 PolarHBondContact NE2-O 3.4Å; H86-D110 VanDerWaalsContact NE2-O 3.14Å; N93-D110 PolarHBondContact ND2-OD2 2.96Å; D110-A112 PolarHBondContact O-N 3.25Å; D110-A112 WeakPolarHBondContact OD1-CB 3.37Å; D110-A112 PolarHBondContact OD1-N 2.96Å
111F96.7Very high96.1Very high1 Ų148.4 Ų48.40%0.00423%0.228CC..G310 helixtrans-85.811.7175.9-51.6-81000113.4E12 V15 M16 L19 L79 I108 M113 S114E12-F111 HydrophobicContact CG-CB 4.21Å; E12-F111 HydrophobicContact CG-CD2 4.23Å; V15-F111 HydrophobicContact CB-CB 3.87Å; V15-F111 HydrophobicContact CB-CD1 4.49Å; V15-F111 HydrophobicContact CB-CG 4.1Å; V15-F111 HydrophobicContact CG1-CB 3.86Å; V15-F111 HydrophobicContact CG1-CD1 3.57Å; V15-F111 HydrophobicContact CG1-CD2 4.35Å; V15-F111 HydrophobicContact CG1-CE1 4.18Å; V15-F111 HydrophobicContact CG1-CG 3.65Å; V15-F111 HydrophobicContact CG2-CB 4.38Å; M16-F111 HydrophobicContact CG-CD2 3.5Å; M16-F111 HydrophobicContact CG-CE2 3.49Å; M16-F111 VanDerWaalsContact CG-CE2 3.49Å; M16-F111 HydrophobicContact SD-CD2 4.4Å; M16-F111 HydrophobicContact SD-CE2 4.39Å; L19-F111 HydrophobicContact CD1-CD1 4.46Å; L19-F111 HydrophobicContact CD1-CE1 3.68Å; L19-F111 HydrophobicContact CD1-CE2 4.45Å; L19-F111 HydrophobicContact CD1-CZ 3.66Å; L79-F111 HydrophobicContact CD1-CD1 4.04Å; L79-F111 HydrophobicContact CD1-CE1 4.04Å; L79-F111 HydrophobicContact CD2-CD1 4.45Å; L79-F111 HydrophobicContact CD2-CE1 4.38Å; I108-F111 HydrophobicContact CG1-CE1 4.42Å; I108-F111 HydrophobicContact CG2-CE1 4.11Å; I108-F111 HydrophobicContact CG2-CZ 3.9Å; F111-M113 PolarHBondContact O-N 3.32Å; F111-M113 VanDerWaalsContact O-N 3.16Å; F111-S114 WeakPolarHBondContact CB-OG 3.35Å; F111-S114 WeakPolarHBondContact O-CB 3.45Å; F111-S114 PolarHBondContact O-N 3.14Å; F111-S114 PolarHBondContact O-OG 3.31Å
112A93.7Very high96.2Very high29 Ų2945.4 Ų45.424%0.2422%0.221CC..G310 helixtrans-60.4-28.3-176.500000112.9P8 D110P8-A112 HydrophobicContact CB-CB 3.78Å; D110-A112 PolarHBondContact O-N 3.25Å; D110-A112 WeakPolarHBondContact OD1-CB 3.37Å; D110-A112 PolarHBondContact OD1-N 2.96Å
113M95.4Very high96Very high63 Ų6346.9 Ų46.931%0.3124%0.24SC..G310 helixtrans-94.42.2175.5-59.5-153.8100.500113.7H86 R87 N88 F111 C135H86-M113 CarbonylContact O-C 3.56Å; H86-M113 VanDerWaalsContact O-C 3.32Å; R87-M113 PolarHBondContact NE-O 2.92Å; R87-M113 PolarHBondContact NH2-O 2.85Å; N88-M113 HydrophobicContact CB-CB 4.17Å; N88-M113 HydrophobicContact CB-CG 4.25Å; N88-M113 HydrophobicContact CB-SD 3.84Å; F111-M113 PolarHBondContact O-N 3.32Å; F111-M113 VanDerWaalsContact O-N 3.16Å; M113-C135 HydrophobicContact CE-CB 4.27Å; M113-C135 WeakPolarHBondContact CE-SG 3.41Å
114S97.3Very high95.9Very high3 Ų346.7 Ų46.72%0.02125%0.248CC..  trans-62.3162.3-175.7-72.50000112.5L11 V85 H86 R87 F111L11-S114 WeakPolarHBondContact CD2-O 3.48Å; V85-S114 CarbonylContact O-C 3.58Å; V85-S114 WeakPolarHBondContact O-CA 3.12Å; V85-S114 WeakPolarHBondContact O-CB 3.49Å; H86-S114 PolarHBondContact O-N 3.25Å; R87-S114 PolarHBondContact NH2-O 2.9Å; R87-S114 VanDerWaalsContact NH2-O 3.11Å; F111-S114 WeakPolarHBondContact CB-OG 3.35Å; F111-S114 WeakPolarHBondContact O-CB 3.45Å; F111-S114 PolarHBondContact O-N 3.14Å; F111-S114 PolarHBondContact O-OG 3.31Å
115R96.2Very high95.9Very high54 Ų5447 Ų4720%0.20425%0.249CC..EExtended strand (participates in β ladder)trans-149.1137.1171.8-175.6165.1-174.8-91.41.4111.2F84 V85 R87 F117 E150F84-R115 WeakPolarHBondContact CA-O 3.42Å; F84-R115 VanDerWaalsContact CD1-C 3.46Å; V85-R115 HydrophobicContact CG2-CB 4.33Å; V85-R115 WeakPolarHBondContact CG2-O 3.33Å; V85-R115 PolarHBondContact N-O 3.05Å; V85-R115 PolarHBondContact O-N 3.23Å; R87-R115 VanDerWaalsContact CZ-CB 3.47Å; R115-F117 PolarHBondContact O-N 2.83Å; R115-E150 IonicContact CZ-OE1 3.63Å; R115-E150 IonicContact CZ-OE2 3.25Å; R115-E150 VanDerWaalsContact CZ-OE2 3.25Å; R115-E150 IonicContact NE-OE1 3.94Å; R115-E150 IonicContact NH1-OE1 2.92Å; R115-E150 PolarHBondContact NH1-OE1 3.14Å; R115-E150 IonicContact NH1-OE2 3.97Å; R115-E150 PolarHBondContact NH1-OE2 3Å; R115-E150 IonicContact NH2-OE2 3.42Å; R115-E150 PolarHBondContact NH2-OE2 3.1Å
116Q96.7Very high95.7Very high63 Ų6348.2 Ų48.229%0.29426%0.255SS..EExtended strand (participates in β ladder)trans-68.9122.1172.2-160.3172.8-0.900109.6G83 F84 A118 N126G83-Q116 CarbonylContact O-C 3.53Å; G83-Q116 VanDerWaalsContact O-CA 3.31Å; G83-Q116 WeakPolarHBondContact O-CA 3.17Å; G83-Q116 WeakPolarHBondContact O-CG 3.42Å; F84-Q116 HydrophobicContact CD1-CB 4.16Å; F84-Q116 HydrophobicContact CD2-CG 4.45Å; F84-Q116 HydrophobicContact CE1-CB 3.61Å; F84-Q116 HydrophobicContact CE1-CG 4.28Å; F84-Q116 HydrophobicContact CE2-CB 4.17Å; F84-Q116 HydrophobicContact CE2-CG 3.91Å; F84-Q116 HydrophobicContact CZ-CB 3.57Å; F84-Q116 HydrophobicContact CZ-CG 3.78Å; Q116-A118 WeakPolarHBondContact CG-O 3.49Å; Q116-A118 PolarHBondContact NE2-O 3.46Å; Q116-A118 VanDerWaalsContact NE2-O 3.12Å; Q116-N126 PolarHBondContact O-ND2 3.46Å
117F96.6Very high95.5Very high1 Ų155.4 Ų55.40%0.00429%0.292CS..  trans-102.9-25.5176.272.2-91000111.9H80 G83 F84 V85 R115 M120 W125 N126 C153 I218H80-F117 HydrophobicContact CB-CE1 4.48Å; H80-F117 WeakPolarHBondContact O-CZ 3.37Å; G83-F117 VanDerWaalsContact C-CD1 3.43Å; G83-F117 WeakPolarHBondContact O-CD1 3.43Å; G83-F117 PolarHBondContact O-N 2.89Å; F84-F117 WeakPolarHBondContact O-CE1 3.27Å; V85-F117 HydrophobicContact CG1-CD1 3.67Å; V85-F117 HydrophobicContact CG1-CE1 4.17Å; V85-F117 HydrophobicContact CG1-CG 4.33Å; R115-F117 PolarHBondContact O-N 2.83Å; F117-M120 HydrophobicContact CE2-SD 4.19Å; F117-M120 HydrophobicContact CZ-SD 4.07Å; F117-W125 HydrophobicContact CD2-CD2 4.42Å; F117-W125 AromaticContact CD2-CE3 3.7Å; F117-W125 HydrophobicContact CD2-CE3 3.7Å; F117-W125 AromaticContact CD2-CH2 3.95Å; F117-W125 HydrophobicContact CD2-CH2 3.95Å; F117-W125 AromaticContact CD2-CZ3 3.42Å; F117-W125 HydrophobicContact CD2-CZ3 3.42Å; F117-W125 VanDerWaalsContact CD2-CZ3 3.42Å; F117-W125 HydrophobicContact CE2-CE3 4.17Å; F117-W125 AromaticContact CE2-CH2 3.66Å; F117-W125 HydrophobicContact CE2-CH2 3.66Å; F117-W125 HydrophobicContact CE2-CZ2 4.15Å; F117-W125 AromaticContact CE2-CZ3 3.66Å; F117-W125 HydrophobicContact CE2-CZ3 3.66Å; F117-N126 WeakPolarHBondContact O-CB 3.31Å; F117-N126 PolarHBondContact O-N 2.93Å; F117-C153 WeakPolarHBondContact CZ-SG 3.49Å; F117-I218 HydrophobicContact CE2-CD1 4.16Å; F117-I218 HydrophobicContact CZ-CD1 4.36Å
118A96.4Very high95.3Very high0 Ų057.8 Ų57.80%031%0.31CS..EExtended strand (participates in β ladder)trans-150.9161177.800000111.1G83 Q116 M120 V124 W125G83-A118 WeakPolarHBondContact CA-O 3.36Å; G83-A118 PolarHBondContact O-N 3.5Å; Q116-A118 WeakPolarHBondContact CG-O 3.49Å; Q116-A118 PolarHBondContact NE2-O 3.46Å; Q116-A118 VanDerWaalsContact NE2-O 3.12Å; A118-M120 HydrophobicContact CB-SD 4.06Å; A118-V124 CarbonylContact C-O 3.58Å; A118-V124 VanDerWaalsContact CA-O 3.23Å; A118-V124 WeakPolarHBondContact CA-O 3.4Å; A118-V124 WeakPolarHBondContact CB-O 3.1Å; A118-W125 HydrophobicContact CB-CD2 4.2Å; A118-W125 HydrophobicContact CB-CG 4.27Å
119D95.8Very high95.1Very high58 Ų5862.8 Ų62.831%0.3133%0.329SS..EExtended strand (participates in β ladder)trans-95103156.6177.51.9000108.6K121 T122 G123 V124D119-K121 PolarHBondContact O-N 2.92Å; D119-K121 WeakPolarHBondContact OD1-CB 3.21Å; D119-K121 PolarHBondContact OD1-N 2.94Å; D119-T122 WeakPolarHBondContact CB-OG1 3.19Å; D119-T122 PolarHBondContact O-N 3.37Å; D119-T122 PolarHBondContact O-OG1 2.93Å; D119-T122 WeakPolarHBondContact OD2-CG2 3.49Å; D119-T122 PolarHBondContact OD2-OG1 3.24Å; D119-G123 WeakPolarHBondContact O-CA 3.44Å; D119-G123 PolarHBondContact O-N 3Å; D119-V124 PolarHBondContact N-O 3.46Å; D119-V124 PolarHBondContact O-N 3.19Å
120M92.3Very high94.8Very high67 Ų6766.1 Ų66.133%0.3336%0.362SS..THydrogen-bonded Turntrans-65.9-16.9-177.1-62.3-58.1-70.800113.4M81 F117 A118 I218M81-M120 HydrophobicContact CE-CE 4.06Å; M81-M120 WeakPolarHBondContact O-CG 3.43Å; M81-M120 HydrophobicContact SD-CE 4.24Å; F117-M120 HydrophobicContact CE2-SD 4.19Å; F117-M120 HydrophobicContact CZ-SD 4.07Å; A118-M120 HydrophobicContact CB-SD 4.06Å; M120-I218 HydrophobicContact CE-CD1 4.31Å
121K92.9Very high94.7Very high204 Ų20472.5 Ų72.589%0.88739%0.387SS*.THydrogen-bonded Turntrans-79-39176.1-64.4-176.7179.1-177.60112D119D119-K121 PolarHBondContact O-N 2.92Å; D119-K121 WeakPolarHBondContact OD1-CB 3.21Å; D119-K121 PolarHBondContact OD1-N 2.94Å
122T95.2Very high94.6Very high91 Ų9173.1 Ų73.156%0.55839%0.391SS*.THydrogen-bonded Turntrans-93.5-14.217957.40000112.8D119 V124D119-T122 WeakPolarHBondContact CB-OG1 3.19Å; D119-T122 PolarHBondContact O-N 3.37Å; D119-T122 PolarHBondContact O-OG1 2.93Å; D119-T122 WeakPolarHBondContact OD2-CG2 3.49Å; D119-T122 PolarHBondContact OD2-OG1 3.24Å; T122-V124 PolarHBondContact O-N 2.95Å; T122-V124 WeakPolarHBondContact OG1-CG2 3.32Å
123G91Very high94.6Very high49 Ų4977.4 Ų77.451%0.50542%0.419SS..THydrogen-bonded Turntrans72.811-174.200000113.4D119D119-G123 WeakPolarHBondContact O-CA 3.44Å; D119-G123 PolarHBondContact O-N 3Å
124V94.3Very high94.5Very high86 Ų8677.5 Ų77.552%0.52142%0.417SS..EExtended strand (participates in β ladder)trans-82.6120.7-177.2177.50000110A118 D119 T122A118-V124 CarbonylContact C-O 3.58Å; A118-V124 VanDerWaalsContact CA-O 3.23Å; A118-V124 WeakPolarHBondContact CA-O 3.4Å; A118-V124 WeakPolarHBondContact CB-O 3.1Å; D119-V124 PolarHBondContact N-O 3.46Å; D119-V124 PolarHBondContact O-N 3.19Å; T122-V124 PolarHBondContact O-N 2.95Å; T122-V124 WeakPolarHBondContact OG1-CG2 3.32Å
125W94.5Very high94.3Very high71 Ų7178 Ų7827%0.26942%0.421SS..EExtended strand (participates in β ladder)trans-90.2139.4175.2-7270.7000111.4F117 A118 T216 I218F117-W125 HydrophobicContact CD2-CD2 4.42Å; F117-W125 AromaticContact CD2-CE3 3.7Å; F117-W125 HydrophobicContact CD2-CE3 3.7Å; F117-W125 AromaticContact CD2-CH2 3.95Å; F117-W125 HydrophobicContact CD2-CH2 3.95Å; F117-W125 AromaticContact CD2-CZ3 3.42Å; F117-W125 HydrophobicContact CD2-CZ3 3.42Å; F117-W125 VanDerWaalsContact CD2-CZ3 3.42Å; F117-W125 HydrophobicContact CE2-CE3 4.17Å; F117-W125 AromaticContact CE2-CH2 3.66Å; F117-W125 HydrophobicContact CE2-CH2 3.66Å; F117-W125 HydrophobicContact CE2-CZ2 4.15Å; F117-W125 AromaticContact CE2-CZ3 3.66Å; F117-W125 HydrophobicContact CE2-CZ3 3.66Å; A118-W125 HydrophobicContact CB-CD2 4.2Å; A118-W125 HydrophobicContact CB-CG 4.27Å; W125-T216 HydrophobicContact CE3-CG2 4.31Å; W125-T216 VanDerWaalsContact CH2-C 3.5Å; W125-T216 VanDerWaalsContact CH2-O 3.29Å; W125-T216 WeakPolarHBondContact CH2-O 3.37Å; W125-T216 WeakPolarHBondContact CZ2-O 3.46Å; W125-I218 HydrophobicContact CH2-CD1 3.51Å; W125-I218 HydrophobicContact CH2-CG1 4.07Å; W125-I218 HydrophobicContact CZ2-CD1 3.43Å; W125-I218 VanDerWaalsContact CZ2-CD1 3.43Å; W125-I218 HydrophobicContact CZ2-CG1 3.71Å
126N94.9Very high94.1Very high64 Ų6476.3 Ų76.334%0.34242%0.42SS..PPolyproline II helixtrans-70.9136.4168.4-68.2-25.6000109.2Q116 F117 Y215Q116-N126 PolarHBondContact O-ND2 3.46Å; F117-N126 WeakPolarHBondContact O-CB 3.31Å; F117-N126 PolarHBondContact O-N 2.93Å; N126-Y215 PolarHBondContact O-OH 3.39Å
127L94.3Very high94.1Very high151 Ų15176 Ų7679%0.79142%0.422SS*.PPolyproline II helixtrans-65.1141.7172.4-67.1175.5000110.1R129L127-R129 PolarHBondContact O-N 2.91Å
128P94.7Very high94.1Very high67 Ų6777.7 Ų77.744%0.43543%0.433SS..PPolyproline II helixtrans-63.8131.8175.526.4-32.2000109.5E150 Y215P128-E150 HydrophobicContact CB-CB 3.82Å; P128-E150 HydrophobicContact CB-CG 4.39Å; P128-Y215 HydrophobicContact CB-CD1 4.03Å; P128-Y215 HydrophobicContact CB-CD2 4.24Å; P128-Y215 HydrophobicContact CB-CE1 3.76Å; P128-Y215 HydrophobicContact CB-CE2 4.01Å; P128-Y215 HydrophobicContact CB-CG 4.27Å; P128-Y215 HydrophobicContact CG-CD1 4.04Å; P128-Y215 HydrophobicContact CG-CE1 3.99Å
129R94.7Very high94.2Very high108 Ų10881.8 Ų81.841%0.40845%0.448SS..PPolyproline II helixtrans-63.9138.5170-70.1176-68.8168.13.9109L127 K131 C132 E150L127-R129 PolarHBondContact O-N 2.91Å; R129-K131 PolarHBondContact O-N 3.32Å; R129-C132 PolarHBondContact NH2-SG 3.03Å; R129-C132 VanDerWaalsContact NH2-SG 3.43Å; R129-E150 WeakPolarHBondContact CB-OE2 3.32Å; R129-E150 VanDerWaalsContact CG-OE2 3.31Å; R129-E150 WeakPolarHBondContact CG-OE2 3.46Å; R129-E150 IonicContact CZ-OE1 3.6Å; R129-E150 IonicContact CZ-OE2 3.44Å; R129-E150 PolarHBondContact N-OE2 3.09Å; R129-E150 IonicContact NE-OE1 3.63Å; R129-E150 IonicContact NE-OE2 2.67Å; R129-E150 PolarHBondContact NE-OE2 3.12Å; R129-E150 IonicContact NH2-OE1 2.73Å; R129-E150 PolarHBondContact NH2-OE1 3.27Å; R129-E150 IonicContact NH2-OE2 3.36Å; R129-E150 PolarHBondContact NH2-OE2 3.44Å
130A92.2Very high94.3Very high109 Ų10979.5 Ų79.590%0.90144%0.435SS*.SBendtrans-60.6-30.4-177.300000113.6
131K92.2Very high94.6Very high184 Ų18476.4 Ų76.480%0.842%0.421SS*.  trans-148133.5174.1-170.8171.2-175.9174.10109.9R129R129-K131 PolarHBondContact O-N 3.32Å
132C94.3Very high94.8Very high13 Ų1366.7 Ų66.79%0.08838%0.378CS..  trans-117.6146175.4-64.10000110R129 G148R129-C132 PolarHBondContact NH2-SG 3.03Å; R129-C132 VanDerWaalsContact NH2-SG 3.43Å; C132-G148 PolarHBondContact N-O 3.48Å; C132-G148 WeakPolarHBondContact O-CA 3.44Å
133C93.7Very high94.9Very high120 Ų12063 Ų6381%0.81136%0.356SS*.  trans-68.8149.2161.8-62.60000109.2
134F95.2Very high95.2Very high64 Ų6462.6 Ų62.628%0.28134%0.341SS..  trans-56.2140172.7-179.8-95.1000110.7G136 V138 A141 A145 H146 L180F134-G136 WeakPolarHBondContact CE1-O 3.3Å; F134-V138 HydrophobicContact CE1-CG2 4.08Å; F134-V138 HydrophobicContact CZ-CG2 4.11Å; F134-A141 HydrophobicContact CE2-CB 3.61Å; F134-A141 HydrophobicContact CZ-CB 3.68Å; F134-A145 HydrophobicContact CE2-CB 4.4Å; F134-H146 AromaticContact CE2-CE1 3.8Å; F134-H146 AromaticContact CE2-ND1 3.78Å; F134-L180 HydrophobicContact CD1-CD2 3.96Å; F134-L180 HydrophobicContact CD2-CD2 4.27Å; F134-L180 HydrophobicContact CE1-CD2 3.88Å; F134-L180 HydrophobicContact CE2-CD2 4.21Å; F134-L180 HydrophobicContact CG-CD1 4.46Å; F134-L180 HydrophobicContact CG-CD2 4.15Å; F134-L180 HydrophobicContact CZ-CD2 4.04Å
135C91.2Very high95.4Very high14 Ų1458.6 Ų58.610%0.09532%0.317CS..  trans-148.8132.5-176.81750000107.7M113 Q151M113-C135 HydrophobicContact CE-CB 4.27Å; M113-C135 WeakPolarHBondContact CE-SG 3.41Å; C135-Q151 PolarHBondContact O-NE2 3.02Å
136G93Very high95.5Very high18 Ų1856.1 Ų56.119%0.18631%0.308CS..SBendtrans107.7-170.5-17600000113.2R87 N88 F134R87-G136 VanDerWaalsContact O-CA 3.23Å; R87-G136 WeakPolarHBondContact O-CA 3.48Å; N88-G136 WeakPolarHBondContact OD1-CA 3.28Å; F134-G136 WeakPolarHBondContact CE1-O 3.3Å
137T96.4Very high95.6Very high57 Ų5757.3 Ų57.335%0.3531%0.314SS..  trans-97.7123.2-175.8-63.60000111N88 T90 R139 Y140 A141N88-T137 PolarHBondContact OD1-N 3.27Å; N88-T137 PolarHBondContact OD1-OG1 3.31Å; T90-T137 HydrophobicContact CG2-CG2 4.32Å; T90-T137 WeakPolarHBondContact CG2-OG1 3.4Å; T137-R139 HydrophobicContact CG2-CB 4.35Å; T137-R139 PolarHBondContact O-N 3.35Å; T137-Y140 HydrophobicContact CG2-CD2 3.96Å; T137-Y140 HydrophobicContact CG2-CE2 4.41Å; T137-Y140 PolarHBondContact O-N 2.97Å; T137-A141 WeakPolarHBondContact O-CB 3.32Å; T137-A141 PolarHBondContact O-N 3.27Å
138V97.4Very high95.6Very high36 Ų3650.7 Ų50.722%0.21828%0.283CS..THydrogen-bonded Turntrans-45.6-44.5-174.9-176.90000113F134 Y140 L180 A183 K187F134-V138 HydrophobicContact CE1-CG2 4.08Å; F134-V138 HydrophobicContact CZ-CG2 4.11Å; V138-Y140 PolarHBondContact O-N 3.49Å; V138-L180 HydrophobicContact CB-CD2 4.33Å; V138-L180 HydrophobicContact CG1-CD2 4.15Å; V138-L180 HydrophobicContact CG2-CD2 3.37Å; V138-A183 HydrophobicContact CG1-CB 3.78Å; V138-K187 PolarHBondContact O-NZ 2.98Å
139R97.8Very high95.7Very high87 Ų8751.1 Ų51.133%0.32828%0.281SS..THydrogen-bonded Turntrans-58.6-43.3-179.5-172.7-178.6-65.8176.28.5113T137 E166 L172 W174 K187T137-R139 HydrophobicContact CG2-CB 4.35Å; T137-R139 PolarHBondContact O-N 3.35Å; R139-E166 WeakPolarHBondContact CD-OE1 3.28Å; R139-E166 IonicContact CZ-OE1 3.95Å; R139-E166 IonicContact NE-OE1 2.83Å; R139-E166 IonicContact NH1-OE1 2.71Å; R139-E166 PolarHBondContact NH1-OE1 3.35Å; R139-E166 VanDerWaalsContact NH1-OE1 3.09Å; R139-L172 HydrophobicContact CG-CD1 3.9Å; R139-W174 PolarHBondContact O-NE1 2.9Å; R139-K187 WeakPolarHBondContact O-CE 3.43Å; R139-K187 PolarHBondContact O-NZ 3.16Å
140Y98.4Very high95.9Very high9 Ų946.2 Ų46.24%0.03526%0.262CS..THydrogen-bonded Turntrans-105.9-14-173.8-52.1-73.2000113.8T90 P91 T137 V138 S142 S159 Y162 M163 E166 L172T90-Y140 HydrophobicContact CG2-CD2 3.78Å; T90-Y140 HydrophobicContact CG2-CE2 4.37Å; P91-Y140 VanDerWaalsContact CD-CE2 3.46Å; P91-Y140 VanDerWaalsContact CD-CZ 3.4Å; P91-Y140 HydrophobicContact CG-CE1 4.26Å; P91-Y140 HydrophobicContact CG-CE2 4.31Å; P91-Y140 WeakPolarHBondContact CG-OH 3.14Å; T137-Y140 HydrophobicContact CG2-CD2 3.96Å; T137-Y140 HydrophobicContact CG2-CE2 4.41Å; T137-Y140 PolarHBondContact O-N 2.97Å; V138-Y140 PolarHBondContact O-N 3.49Å; Y140-S142 PolarHBondContact O-N 3.32Å; Y140-S159 WeakPolarHBondContact O-CA 3.36Å; Y140-S159 VanDerWaalsContact O-CB 3.28Å; Y140-S159 WeakPolarHBondContact O-CB 3.39Å; Y140-S159 PolarHBondContact O-OG 3.41Å; Y140-Y162 WeakPolarHBondContact O-CD2 3.43Å; Y140-M163 HydrophobicContact CD1-CG 3.63Å; Y140-M163 HydrophobicContact CE1-CG 3.81Å; Y140-M163 HydrophobicContact CG-CG 4.24Å; Y140-E166 WeakPolarHBondContact CE1-OE2 3.48Å; Y140-E166 VanDerWaalsContact CZ-OE2 3.25Å; Y140-E166 PolarHBondContact OH-OE1 2.94Å; Y140-E166 PolarHBondContact OH-OE2 3.38Å; Y140-L172 HydrophobicContact CD1-CD1 4.3Å; Y140-L172 HydrophobicContact CE1-CD1 4.11Å
141A97.9Very high96.1Very high3 Ų341.5 Ų41.53%0.02522%0.222CC..  trans-58.2140.5-178.800000112F134 T137 A145 K187F134-A141 HydrophobicContact CE2-CB 3.61Å; F134-A141 HydrophobicContact CZ-CB 3.68Å; T137-A141 WeakPolarHBondContact O-CB 3.32Å; T137-A141 PolarHBondContact O-N 3.27Å; A141-A145 HydrophobicContact CB-CB 4.15Å; A141-K187 PolarHBondContact O-NZ 3.18Å
142S98.1Very high96.4Very high0 Ų032.8 Ų32.80%018%0.184CC..  trans-62.5160.1-179.881.20000112.1Y140 H144 A145 H146 D155Y140-S142 PolarHBondContact O-N 3.32Å; S142-H144 PolarHBondContact O-N 3.09Å; S142-H144 VanDerWaalsContact O-N 3.11Å; S142-H144 PolarHBondContact OG-N 3.29Å; S142-A145 PolarHBondContact O-N 3.3Å; S142-A145 PolarHBondContact OG-N 3.08Å; S142-A145 VanDerWaalsContact OG-N 3.15Å; S142-H146 PolarHBondContact O-CD2 2.78Å; S142-H146 PolarHBondContact O-N 3.4Å; S142-D155 VanDerWaalsContact CB-OD1 3.31Å; S142-D155 WeakPolarHBondContact CB-OD1 3.05Å; S142-D155 PolarHBondContact OG-OD1 2.85Å
143P97.4Very high96.6Very high13 Ų1332.1 Ų32.18%0.08418%0.18CC..Hα-helixtrans-53.3-31.1171.4-25.333000113.7N147 Y162 K187 Q188P143-N147 PolarHBondContact O-N 2.51Å; P143-N147 PolarHBondContact O-ND2 3.48Å; P143-Y162 WeakPolarHBondContact CD-OH 3.39Å; P143-K187 HydrophobicContact CG-CB 4.15Å; P143-Q188 HydrophobicContact CB-CG 3.78Å
144H97.2Very high96.8Very high41 Ų4127.8 Ų27.819%0.1915%0.146CC..Hα-helixtrans-76.6-36.5-175.6-53.767.3000111.5S142 H146 N147 G148 L149 R154 D155S142-H144 PolarHBondContact O-N 3.09Å; S142-H144 VanDerWaalsContact O-N 3.11Å; S142-H144 PolarHBondContact OG-N 3.29Å; H144-H146 VanDerWaalsContact C-N 3.32Å; H144-N147 CarbonylContact O-C 3.44Å; H144-N147 PolarHBondContact O-N 3.43Å; H144-G148 PolarHBondContact O-N 3.27Å; H144-L149 HydrophobicContact CB-CB 4.24Å; H144-L149 HydrophobicContact CB-CD1 4.13Å; H144-L149 WeakPolarHBondContact O-CB 3.46Å; H144-L149 PolarHBondContact O-N 2.76Å; H144-R154 PolarHBondContact CD2-NH1 3.15Å; H144-R154 PolarHBondContact CD2-NH2 3.16Å; H144-R154 VanDerWaalsContact NE2-CZ 3.28Å; H144-R154 PolarHBondContact NE2-NH1 3.39Å; H144-R154 VanDerWaalsContact NE2-NH1 3.15Å; H144-D155 WeakPolarHBondContact CB-OD1 3.45Å; H144-D155 IonicContact CG-OD1 3.71Å; H144-D155 IonicContact ND1-OD1 3.89Å
145A97.4Very high97Very high2 Ų224.8 Ų24.82%0.01713%0.133CC..Hα-helixtrans-61.8-40.5174.400000111.6F134 A141 S142 N147 G148 Q151F134-A145 HydrophobicContact CE2-CB 4.4Å; A141-A145 HydrophobicContact CB-CB 4.15Å; S142-A145 PolarHBondContact O-N 3.3Å; S142-A145 PolarHBondContact OG-N 3.08Å; S142-A145 VanDerWaalsContact OG-N 3.15Å; A145-N147 VanDerWaalsContact C-N 3.31Å; A145-N147 PolarHBondContact O-N 3.19Å; A145-G148 PolarHBondContact O-N 3.33Å; A145-G148 VanDerWaalsContact O-N 3.15Å; A145-Q151 HydrophobicContact CB-CG 4.08Å
146H97.2Very high97.3Very high19 Ų1924.1 Ų24.19%0.08813%0.129CC..Hα-helixtrans-62.1-37.7173.7-69.4-68.4000112.3F134 S142 H144 G148 L180 G184 K187F134-H146 AromaticContact CE2-CE1 3.8Å; F134-H146 AromaticContact CE2-ND1 3.78Å; S142-H146 PolarHBondContact O-CD2 2.78Å; S142-H146 PolarHBondContact O-N 3.4Å; H144-H146 VanDerWaalsContact C-N 3.32Å; H146-G148 PolarHBondContact O-N 3.31Å; H146-G148 VanDerWaalsContact O-N 3.17Å; H146-L180 PolarHBondContact ND1-O 3.09Å; H146-L180 VanDerWaalsContact ND1-O 3.17Å; H146-G184 VanDerWaalsContact CG-CA 3.44Å; H146-K187 PolarHBondContact NE2-NZ 3.35Å
147N95.9Very high97.6Very high89 Ų8923.2 Ų23.248%0.47612%0.12SC..THydrogen-bonded Turntrans-77.48.1176.8-70.6-20.9000114.1P143 H144 A145 L149 Q188P143-N147 PolarHBondContact O-N 2.51Å; P143-N147 PolarHBondContact O-ND2 3.48Å; H144-N147 CarbonylContact O-C 3.44Å; H144-N147 PolarHBondContact O-N 3.43Å; A145-N147 VanDerWaalsContact C-N 3.31Å; A145-N147 PolarHBondContact O-N 3.19Å; N147-L149 HydrophobicContact CB-CD1 4.39Å; N147-L149 HydrophobicContact CB-CG 4.11Å; N147-L149 PolarHBondContact O-N 2.82Å; N147-Q188 VanDerWaalsContact CG-NE2 3.3Å; N147-Q188 PolarHBondContact ND2-NE2 3.45Å; N147-Q188 PolarHBondContact ND2-OE1 2.91Å; N147-Q188 PolarHBondContact OD1-NE2 3.43Å
148G96Very high97.7Very high12 Ų1221.1 Ų21.112%0.12411%0.105CC..THydrogen-bonded Turntrans6522.218000000113.8C132 H144 A145 H146C132-G148 PolarHBondContact N-O 3.48Å; C132-G148 WeakPolarHBondContact O-CA 3.44Å; H144-G148 PolarHBondContact O-N 3.27Å; A145-G148 PolarHBondContact O-N 3.33Å; A145-G148 VanDerWaalsContact O-N 3.15Å; H146-G148 PolarHBondContact O-N 3.31Å; H146-G148 VanDerWaalsContact O-N 3.17Å
149L96.9Very high97.8Very high75 Ų7519.6 Ų19.639%0.39310%0.096SC..PPolyproline II helixtrans-80.1154.5175.3-58179.9000110.4H144 N147 Q151H144-L149 HydrophobicContact CB-CB 4.24Å; H144-L149 HydrophobicContact CB-CD1 4.13Å; H144-L149 WeakPolarHBondContact O-CB 3.46Å; H144-L149 PolarHBondContact O-N 2.76Å; N147-L149 HydrophobicContact CB-CD1 4.39Å; N147-L149 HydrophobicContact CB-CG 4.11Å; N147-L149 PolarHBondContact O-N 2.82Å; L149-Q151 PolarHBondContact O-N 3.14Å
150E97.2Very high97.8Very high5 Ų515.5 Ų15.52%0.0238%0.081CC..PPolyproline II helixtrans-63.5126.2173-173.674.6-101.700110.6R115 P128 R129 Y215R115-E150 IonicContact CZ-OE1 3.63Å; R115-E150 IonicContact CZ-OE2 3.25Å; R115-E150 VanDerWaalsContact CZ-OE2 3.25Å; R115-E150 IonicContact NE-OE1 3.94Å; R115-E150 IonicContact NH1-OE1 2.92Å; R115-E150 PolarHBondContact NH1-OE1 3.14Å; R115-E150 IonicContact NH1-OE2 3.97Å; R115-E150 PolarHBondContact NH1-OE2 3Å; R115-E150 IonicContact NH2-OE2 3.42Å; R115-E150 PolarHBondContact NH2-OE2 3.1Å; P128-E150 HydrophobicContact CB-CB 3.82Å; P128-E150 HydrophobicContact CB-CG 4.39Å; R129-E150 WeakPolarHBondContact CB-OE2 3.32Å; R129-E150 VanDerWaalsContact CG-OE2 3.31Å; R129-E150 WeakPolarHBondContact CG-OE2 3.46Å; R129-E150 IonicContact CZ-OE1 3.6Å; R129-E150 IonicContact CZ-OE2 3.44Å; R129-E150 PolarHBondContact N-OE2 3.09Å; R129-E150 IonicContact NE-OE1 3.63Å; R129-E150 IonicContact NE-OE2 2.67Å; R129-E150 PolarHBondContact NE-OE2 3.12Å; R129-E150 IonicContact NH2-OE1 2.73Å; R129-E150 PolarHBondContact NH2-OE1 3.27Å; R129-E150 IonicContact NH2-OE2 3.36Å; R129-E150 PolarHBondContact NH2-OE2 3.44Å; E150-Y215 HydrophobicContact CB-CD2 4.36Å; E150-Y215 HydrophobicContact CB-CE2 3.69Å; E150-Y215 HydrophobicContact CG-CE2 3.43Å; E150-Y215 VanDerWaalsContact CG-CE2 3.43Å; E150-Y215 WeakPolarHBondContact CG-OH 3.35Å; E150-Y215 WeakPolarHBondContact O-CD2 3.31Å
151Q98Very high97.9Very high10 Ų1015.1 Ų15.15%0.0478%0.079CC..PPolyproline II helixtrans-74.7147.6176.2-65.9-178.854.900111.2R87 C135 A145 L149 D155R87-Q151 HydrophobicContact CG-CB 3.97Å; C135-Q151 PolarHBondContact O-NE2 3.02Å; A145-Q151 HydrophobicContact CB-CG 4.08Å; L149-Q151 PolarHBondContact O-N 3.14Å; Q151-D155 WeakPolarHBondContact CA-OD2 3.36Å; Q151-D155 HydrophobicContact CB-CB 4.07Å; Q151-D155 HydrophobicContact CG-CB 4.2Å
152S97.5Very high97.9Very high1 Ų115 Ų151%0.0078%0.078CC..  trans-146.3-176.3-173.557.70000109.9R154 D155 Y215S152-R154 PolarHBondContact O-N 2.88Å; S152-R154 VanDerWaalsContact O-N 3.13Å; S152-R154 WeakPolarHBondContact OG-CG 3.19Å; S152-R154 PolarHBondContact OG-NE 3.27Å; S152-D155 PolarHBondContact N-OD2 2.92Å; S152-D155 WeakPolarHBondContact O-CB 3.5Å; S152-D155 PolarHBondContact O-N 2.74Å; S152-D155 PolarHBondContact OG-OD2 3.32Å; S152-Y215 WeakPolarHBondContact CB-O 3.36Å
153C98.4Very high97.9Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-52.6-39.5-177.5-66.50000112.5H80 F117 D155 D156 L157 P219H80-C153 VanDerWaalsContact CE1-CA 3.44Å; H80-C153 WeakPolarHBondContact CE1-CA 3.27Å; H80-C153 PolarHBondContact CE1-O 2.91Å; F117-C153 WeakPolarHBondContact CZ-SG 3.49Å; C153-D155 PolarHBondContact O-N 3.22Å; C153-D156 PolarHBondContact O-N 3.41Å; C153-L157 WeakPolarHBondContact O-CD1 3.25Å; C153-L157 PolarHBondContact O-N 3.32Å; C153-P219 HydrophobicContact CB-CG 3.9Å
154R98.1Very high98Very high29 Ų2914.5 Ų14.511%0.1098%0.075CC..Hα-helixtrans-60.1-29.7179.675.5-169.7167.9168.8-2.9113.5H144 S152 L157 W158 L213H144-R154 PolarHBondContact CD2-NH1 3.15Å; H144-R154 PolarHBondContact CD2-NH2 3.16Å; H144-R154 VanDerWaalsContact NE2-CZ 3.28Å; H144-R154 PolarHBondContact NE2-NH1 3.39Å; H144-R154 VanDerWaalsContact NE2-NH1 3.15Å; S152-R154 PolarHBondContact O-N 2.88Å; S152-R154 VanDerWaalsContact O-N 3.13Å; S152-R154 WeakPolarHBondContact OG-CG 3.19Å; S152-R154 PolarHBondContact OG-NE 3.27Å; R154-L157 PolarHBondContact O-N 2.93Å; R154-W158 PolarHBondContact O-N 2.97Å; R154-L213 HydrophobicContact CB-CB 3.57Å; R154-L213 HydrophobicContact CB-CD1 3.8Å; R154-L213 HydrophobicContact CB-CG 4.35Å; R154-L213 VanDerWaalsContact CD-O 3.3Å; R154-L213 WeakPolarHBondContact CD-O 3.48Å; R154-L213 PolarHBondContact NH1-O 3.09Å; R154-L213 VanDerWaalsContact NH1-O 3.15Å
155D98.6Very high98.1Very high0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-73.9-39.6-173.4-61.7-77.5000110.9S142 H144 Q151 S152 C153 L157 W158 S159S142-D155 VanDerWaalsContact CB-OD1 3.31Å; S142-D155 WeakPolarHBondContact CB-OD1 3.05Å; S142-D155 PolarHBondContact OG-OD1 2.85Å; H144-D155 WeakPolarHBondContact CB-OD1 3.45Å; H144-D155 IonicContact CG-OD1 3.71Å; H144-D155 IonicContact ND1-OD1 3.89Å; Q151-D155 WeakPolarHBondContact CA-OD2 3.36Å; Q151-D155 HydrophobicContact CB-CB 4.07Å; Q151-D155 HydrophobicContact CG-CB 4.2Å; S152-D155 PolarHBondContact N-OD2 2.92Å; S152-D155 WeakPolarHBondContact O-CB 3.5Å; S152-D155 PolarHBondContact O-N 2.74Å; S152-D155 PolarHBondContact OG-OD2 3.32Å; C153-D155 PolarHBondContact O-N 3.22Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 3.4Å; D155-W158 PolarHBondContact O-N 2.97Å; D155-S159 PolarHBondContact O-N 3.4Å; D155-S159 PolarHBondContact O-OG 3.46Å
156D98.9Very high98.1Very high0 Ų012.5 Ų12.50%07%0.065CC..Hα-helixtrans-63.8-37.4172.3-73.6-19.8000111.5I76 H80 V85 H86 R87 I89 C153 S159 L160I76-D156 HydrophobicContact CG2-CB 4.19Å; H80-D156 IonicContact CD2-OD2 3.09Å; H80-D156 IonicContact CE1-OD2 3.87Å; H80-D156 IonicContact NE2-OD2 2.76Å; H80-D156 PolarHBondContact NE2-OD2 3.44Å; V85-D156 WeakPolarHBondContact CA-OD2 3.38Å; V85-D156 WeakPolarHBondContact CB-OD2 3.07Å; H86-D156 PolarHBondContact N-OD2 3.11Å; R87-D156 WeakPolarHBondContact CA-OD1 3.36Å; R87-D156 PolarHBondContact N-OD1 3.37Å; I89-D156 HydrophobicContact CG1-CB 3.77Å; C153-D156 PolarHBondContact O-N 3.41Å; D156-S159 PolarHBondContact O-N 3.02Å; D156-L160 PolarHBondContact O-N 2.97Å
157L98.8Very high98.2Very high0 Ų011.6 Ų11.60%06%0.061CC..Hα-helixtrans-71.3-35174.7-76.187.8000113.2L73 C153 R154 D155 S159 L160 F161 L210 P219 Y221 F224L73-L157 HydrophobicContact CD1-CD2 3.97Å; L73-L157 HydrophobicContact CD1-CG 4.13Å; C153-L157 WeakPolarHBondContact O-CD1 3.25Å; C153-L157 PolarHBondContact O-N 3.32Å; R154-L157 PolarHBondContact O-N 2.93Å; D155-L157 VanDerWaalsContact C-N 3.32Å; D155-L157 PolarHBondContact O-N 3.4Å; L157-S159 VanDerWaalsContact C-N 3.31Å; L157-L160 PolarHBondContact O-N 3.38Å; L157-F161 WeakPolarHBondContact O-CB 3.44Å; L157-F161 PolarHBondContact O-N 2.9Å; L157-L210 HydrophobicContact CB-CD2 3.45Å; L157-L210 VanDerWaalsContact CB-CD2 3.45Å; L157-L210 HydrophobicContact CD2-CD2 4.11Å; L157-L210 HydrophobicContact CG-CD2 4.43Å; L157-P219 HydrophobicContact CD1-CB 4.15Å; L157-P219 HydrophobicContact CD1-CG 3.56Å; L157-P219 HydrophobicContact CD2-CB 3.9Å; L157-P219 HydrophobicContact CD2-CG 4.19Å; L157-Y221 HydrophobicContact CD1-CE1 4.07Å; L157-F224 HydrophobicContact CD2-CD1 4.42Å; L157-F224 HydrophobicContact CD2-CD2 3.67Å; L157-F224 HydrophobicContact CD2-CE1 4.44Å; L157-F224 HydrophobicContact CD2-CE2 3.74Å; L157-F224 HydrophobicContact CD2-CG 4.05Å; L157-F224 HydrophobicContact CD2-CZ 4.13Å
158W98.7Very high98.3Very high13 Ų138.4 Ų8.45%0.0495%0.047CC..Hα-helixtrans-60-43.7170.6-88.9109.9000111.2R154 D155 F161 Y162 M207 L210 E211R154-W158 PolarHBondContact O-N 2.97Å; D155-W158 PolarHBondContact O-N 2.97Å; W158-F161 HydrophobicContact CE3-CD1 4.37Å; W158-F161 HydrophobicContact CZ3-CD1 4.27Å; W158-F161 PolarHBondContact O-N 2.89Å; W158-Y162 AromaticContact CE3-CE1 3.91Å; W158-Y162 HydrophobicContact CE3-CE1 3.91Å; W158-Y162 HydrophobicContact CE3-CE2 4.41Å; W158-Y162 AromaticContact CE3-CZ 3.7Å; W158-Y162 HydrophobicContact CZ3-CE1 4.14Å; W158-Y162 VanDerWaalsContact O-CD2 3.31Å; W158-Y162 WeakPolarHBondContact O-CD2 3.49Å; W158-Y162 PolarHBondContact O-N 3.4Å; W158-M207 HydrophobicContact CH2-CE 4.3Å; W158-M207 HydrophobicContact CH2-CG 4.01Å; W158-M207 HydrophobicContact CZ3-CG 4.23Å; W158-L210 HydrophobicContact CD2-CB 4.06Å; W158-L210 HydrophobicContact CD2-CD1 3.86Å; W158-L210 HydrophobicContact CE3-CD1 3.79Å; W158-L210 HydrophobicContact CG-CD1 4.31Å; W158-L210 HydrophobicContact CH2-CB 4.11Å; W158-L210 HydrophobicContact CH2-CD1 4.49Å; W158-L210 HydrophobicContact CZ2-CB 3.6Å; W158-L210 HydrophobicContact CZ3-CD1 4.13Å; W158-E211 HydrophobicContact CH2-CG 3.99Å; W158-E211 HydrophobicContact CZ2-CG 3.88Å
159S98.9Very high98.4Very high4 Ų410.3 Ų10.33%0.0285%0.054CC..Hα-helixtrans-63.9-44.6176.4-66.70000112.7Y140 D155 D156 L157 F161 Y162 M163Y140-S159 WeakPolarHBondContact O-CA 3.36Å; Y140-S159 VanDerWaalsContact O-CB 3.28Å; Y140-S159 WeakPolarHBondContact O-CB 3.39Å; Y140-S159 PolarHBondContact O-OG 3.41Å; D155-S159 PolarHBondContact O-N 3.4Å; D155-S159 PolarHBondContact O-OG 3.46Å; D156-S159 PolarHBondContact O-N 3.02Å; L157-S159 VanDerWaalsContact C-N 3.31Å; S159-F161 VanDerWaalsContact C-N 3.32Å; S159-F161 PolarHBondContact O-N 3.28Å; S159-Y162 PolarHBondContact O-N 3.48Å; S159-M163 WeakPolarHBondContact O-CG 3.14Å; S159-M163 PolarHBondContact O-N 2.87Å; S159-M163 VanDerWaalsContact O-N 3.1Å
160L98.9Very high98.5Very high0 Ų08 Ų80%05%0.048CC..Hα-helixtrans-58.2-45.7173.1176.163.5000110.9C72 L73 I76 I89 D156 L157 Y162 M163 L164C72-L160 HydrophobicContact CB-CD1 3.57Å; C72-L160 HydrophobicContact CB-CD2 4.46Å; L73-L160 HydrophobicContact CB-CD2 3.86Å; L73-L160 HydrophobicContact CD1-CD2 3.93Å; L73-L160 HydrophobicContact CG-CD2 4.43Å; I76-L160 HydrophobicContact CD1-CB 4.05Å; I76-L160 HydrophobicContact CD1-CD2 4.05Å; I76-L160 HydrophobicContact CD1-CG 4.47Å; I89-L160 HydrophobicContact CG2-CB 4.15Å; D156-L160 PolarHBondContact O-N 2.97Å; L157-L160 PolarHBondContact O-N 3.38Å; L160-Y162 VanDerWaalsContact C-N 3.34Å; L160-Y162 PolarHBondContact O-N 2.87Å; L160-M163 WeakPolarHBondContact O-CA 3.4Å; L160-M163 VanDerWaalsContact O-CB 3.31Å; L160-M163 WeakPolarHBondContact O-CB 3.2Å; L160-M163 PolarHBondContact O-N 3.18Å; L160-L164 HydrophobicContact CD1-CD1 4.39Å; L160-L164 HydrophobicContact CD1-CD2 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 4.13Å; L160-L164 HydrophobicContact CG-CG 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.4Å; L160-L164 PolarHBondContact O-N 2.93Å
161F98.9Very high98.4Very high1 Ų114 Ų140%0.0047%0.074CC..Hα-helixtrans-59.5-43.9-179.3180-109.6000112.3L157 W158 S159 M163 L164 V165 L195 L196 F203 F206 M207 L210L157-F161 WeakPolarHBondContact O-CB 3.44Å; L157-F161 PolarHBondContact O-N 2.9Å; W158-F161 HydrophobicContact CE3-CD1 4.37Å; W158-F161 HydrophobicContact CZ3-CD1 4.27Å; W158-F161 PolarHBondContact O-N 2.89Å; S159-F161 VanDerWaalsContact C-N 3.32Å; S159-F161 PolarHBondContact O-N 3.28Å; F161-M163 VanDerWaalsContact C-N 3.31Å; F161-M163 PolarHBondContact O-N 2.71Å; F161-L164 PolarHBondContact O-N 3.38Å; F161-V165 HydrophobicContact CD1-CG2 4.34Å; F161-V165 HydrophobicContact CD2-CG2 4.48Å; F161-V165 HydrophobicContact CE1-CG2 3.97Å; F161-V165 HydrophobicContact CE2-CG2 4.12Å; F161-V165 HydrophobicContact CZ-CG2 3.86Å; F161-V165 WeakPolarHBondContact O-CG2 3.25Å; F161-V165 PolarHBondContact O-N 3.31Å; F161-L195 HydrophobicContact CE1-CD2 4.08Å; F161-L196 HydrophobicContact CE1-CD2 4.08Å; F161-L196 HydrophobicContact CE2-CD2 4.44Å; F161-L196 HydrophobicContact CZ-CD1 4.18Å; F161-L196 HydrophobicContact CZ-CD2 3.53Å; F161-L196 HydrophobicContact CZ-CG 4.44Å; F161-F203 AromaticContact CE2-CD1 3.93Å; F161-F203 HydrophobicContact CE2-CD1 3.93Å; F161-F203 WeakPolarHBondContact CE2-O 3.42Å; F161-F206 HydrophobicContact CB-CD1 4.33Å; F161-F206 HydrophobicContact CB-CE1 4.12Å; F161-F206 HydrophobicContact CD2-CB 4.27Å; F161-F206 AromaticContact CD2-CD1 3.49Å; F161-F206 HydrophobicContact CD2-CD1 3.49Å; F161-F206 VanDerWaalsContact CD2-CD1 3.49Å; F161-F206 HydrophobicContact CD2-CE1 4.03Å; F161-F206 AromaticContact CD2-CG 3.99Å; F161-F206 HydrophobicContact CD2-CG 3.99Å; F161-F206 HydrophobicContact CE2-CB 4.03Å; F161-F206 HydrophobicContact CE2-CD1 4.09Å; F161-F206 HydrophobicContact CE2-CG 4.26Å; F161-F206 HydrophobicContact CG-CD1 4.17Å; F161-F206 HydrophobicContact CG-CE1 4.45Å; F161-M207 HydrophobicContact CE1-CB 3.91Å; F161-M207 HydrophobicContact CE1-CG 4.03Å; F161-M207 HydrophobicContact CE1-SD 4.19Å; F161-M207 HydrophobicContact CE2-CB 4.38Å; F161-M207 HydrophobicContact CZ-CB 3.65Å; F161-M207 HydrophobicContact CZ-CG 4.27Å; F161-M207 HydrophobicContact CZ-SD 4.5Å; F161-L210 HydrophobicContact CB-CD1 3.58Å; F161-L210 HydrophobicContact CD1-CD1 4.09Å; F161-L210 HydrophobicContact CD2-CD1 4.42Å; F161-L210 HydrophobicContact CG-CD1 3.78Å
162Y98.8Very high98.4Very high2 Ų213.7 Ų13.71%0.0087%0.073CC..Hα-helixtrans-62.7-37.1174.5-61.7-35000112.7Y140 P143 W158 S159 L160 V165 E166 W174 K187 L195Y140-Y162 WeakPolarHBondContact O-CD2 3.43Å; P143-Y162 WeakPolarHBondContact CD-OH 3.39Å; W158-Y162 AromaticContact CE3-CE1 3.91Å; W158-Y162 HydrophobicContact CE3-CE1 3.91Å; W158-Y162 HydrophobicContact CE3-CE2 4.41Å; W158-Y162 AromaticContact CE3-CZ 3.7Å; W158-Y162 HydrophobicContact CZ3-CE1 4.14Å; W158-Y162 VanDerWaalsContact O-CD2 3.31Å; W158-Y162 WeakPolarHBondContact O-CD2 3.49Å; W158-Y162 PolarHBondContact O-N 3.4Å; S159-Y162 PolarHBondContact O-N 3.48Å; L160-Y162 VanDerWaalsContact C-N 3.34Å; L160-Y162 PolarHBondContact O-N 2.87Å; Y162-V165 PolarHBondContact O-N 3.07Å; Y162-E166 WeakPolarHBondContact O-CB 3.32Å; Y162-E166 PolarHBondContact O-N 3.1Å; Y162-W174 AromaticContact CD1-CH2 3.89Å; Y162-W174 HydrophobicContact CD1-CH2 3.89Å; Y162-W174 AromaticContact CD1-CZ2 3.64Å; Y162-W174 HydrophobicContact CD1-CZ2 3.64Å; Y162-W174 HydrophobicContact CD2-CZ2 4.19Å; Y162-W174 AromaticContact CE1-CH2 3.64Å; Y162-W174 HydrophobicContact CE1-CH2 3.64Å; Y162-W174 AromaticContact CE1-CZ2 3.71Å; Y162-W174 HydrophobicContact CE1-CZ2 3.71Å; Y162-W174 HydrophobicContact CE2-CZ2 4.24Å; Y162-W174 AromaticContact CG-CZ2 3.9Å; Y162-W174 HydrophobicContact CG-CZ2 3.9Å; Y162-K187 HydrophobicContact CE2-CD 4.07Å; Y162-K187 HydrophobicContact CE2-CG 4.46Å; Y162-L195 HydrophobicContact CE1-CD2 4.26Å
163M98.7Very high98.5Very high0 Ų017.1 Ų17.10%010%0.095CC..Hα-helixtrans-60.6-46.1172.1-66.5171.547.100111.6I89 T90 P91 F94 Y140 S159 L160 F161 V165 E166 F167I89-M163 HydrophobicContact CG2-SD 3.67Å; T90-M163 VanDerWaalsContact CA-SD 3.52Å; P91-M163 HydrophobicContact CB-CE 4.3Å; P91-M163 HydrophobicContact CG-CE 3.97Å; P91-M163 HydrophobicContact CG-CG 3.99Å; P91-M163 HydrophobicContact CG-SD 4.38Å; F94-M163 HydrophobicContact CD2-CE 3.79Å; F94-M163 HydrophobicContact CE2-CE 4.07Å; F94-M163 HydrophobicContact CE2-SD 4.33Å; Y140-M163 HydrophobicContact CD1-CG 3.63Å; Y140-M163 HydrophobicContact CE1-CG 3.81Å; Y140-M163 HydrophobicContact CG-CG 4.24Å; S159-M163 WeakPolarHBondContact O-CG 3.14Å; S159-M163 PolarHBondContact O-N 2.87Å; S159-M163 VanDerWaalsContact O-N 3.1Å; L160-M163 WeakPolarHBondContact O-CA 3.4Å; L160-M163 VanDerWaalsContact O-CB 3.31Å; L160-M163 WeakPolarHBondContact O-CB 3.2Å; L160-M163 PolarHBondContact O-N 3.18Å; F161-M163 VanDerWaalsContact C-N 3.31Å; F161-M163 PolarHBondContact O-N 2.71Å; M163-V165 VanDerWaalsContact C-N 3.34Å; M163-V165 PolarHBondContact O-N 3.38Å; M163-E166 PolarHBondContact O-N 2.85Å; M163-F167 HydrophobicContact CE-CE2 4.27Å; M163-F167 HydrophobicContact CE-CZ 4.06Å; M163-F167 WeakPolarHBondContact O-CB 3.18Å; M163-F167 WeakPolarHBondContact O-CD1 3.35Å; M163-F167 WeakPolarHBondContact O-CG 3.44Å; M163-F167 PolarHBondContact O-N 3.02Å
164L98.9Very high98.4Very high1 Ų117.3 Ų17.31%0.00510%0.096CC..Hα-helixtrans-65.9-37.4-179.4-61.1179.2000112.2T65 L160 F161 F167 A168 F203 L228T65-L164 HydrophobicContact CG2-CB 4.04Å; T65-L164 HydrophobicContact CG2-CD2 3.95Å; T65-L164 WeakPolarHBondContact CG2-O 3.36Å; L160-L164 HydrophobicContact CD1-CD1 4.39Å; L160-L164 HydrophobicContact CD1-CD2 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 4.13Å; L160-L164 HydrophobicContact CG-CG 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.4Å; L160-L164 PolarHBondContact O-N 2.93Å; F161-L164 PolarHBondContact O-N 3.38Å; L164-F167 HydrophobicContact CD2-CD2 4.23Å; L164-F167 PolarHBondContact O-N 3.06Å; L164-A168 WeakPolarHBondContact O-CB 3.36Å; L164-A168 PolarHBondContact O-N 3.43Å; L164-F203 HydrophobicContact CB-CE1 4.03Å; L164-L228 HydrophobicContact CD1-CD1 4.17Å; L164-L228 HydrophobicContact CD1-CD2 3.89Å
165V98.8Very high98.3Very high0 Ų018 Ų180%010%0.1CC..Hα-helixtrans-64.8-44.1173.4173.80000110.7F161 Y162 M163 F167 A168 L169 L172 L195 L196 L199 F203F161-V165 HydrophobicContact CD1-CG2 4.34Å; F161-V165 HydrophobicContact CD2-CG2 4.48Å; F161-V165 HydrophobicContact CE1-CG2 3.97Å; F161-V165 HydrophobicContact CE2-CG2 4.12Å; F161-V165 HydrophobicContact CZ-CG2 3.86Å; F161-V165 WeakPolarHBondContact O-CG2 3.25Å; F161-V165 PolarHBondContact O-N 3.31Å; Y162-V165 PolarHBondContact O-N 3.07Å; M163-V165 VanDerWaalsContact C-N 3.34Å; M163-V165 PolarHBondContact O-N 3.38Å; V165-F167 PolarHBondContact O-N 3.42Å; V165-A168 PolarHBondContact O-N 3.11Å; V165-L169 HydrophobicContact CG1-CD1 3.87Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 PolarHBondContact O-N 3.48Å; V165-L172 HydrophobicContact CB-CD2 4.22Å; V165-L172 HydrophobicContact CG1-CD2 3.98Å; V165-L195 HydrophobicContact CG1-CD1 3.98Å; V165-L195 HydrophobicContact CG1-CG 4.33Å; V165-L196 HydrophobicContact CG1-CD2 4.34Å; V165-L196 HydrophobicContact CG2-CD2 3.49Å; V165-L196 VanDerWaalsContact CG2-CD2 3.49Å; V165-L199 HydrophobicContact CG1-CD1 4.33Å; V165-L199 HydrophobicContact CG2-CD1 4.2Å; V165-F203 HydrophobicContact CG2-CD1 4.22Å; V165-F203 HydrophobicContact CG2-CE1 4.47Å
166E98.5Very high98.1Very high1 Ų125.3 Ų25.31%0.00513%0.134CC..Hα-helixtrans-62.6-42.5176.3-164.1-177.3-139.600111.6F53 R139 Y140 Y162 M163 G170 K171 L172F53-E166 HydrophobicContact CE1-CG 4.08Å; F53-E166 WeakPolarHBondContact CE2-O 3.45Å; F53-E166 HydrophobicContact CZ-CG 3.8Å; F53-E166 WeakPolarHBondContact CZ-O 3.47Å; R139-E166 WeakPolarHBondContact CD-OE1 3.28Å; R139-E166 IonicContact CZ-OE1 3.95Å; R139-E166 IonicContact NE-OE1 2.83Å; R139-E166 IonicContact NH1-OE1 2.71Å; R139-E166 PolarHBondContact NH1-OE1 3.35Å; R139-E166 VanDerWaalsContact NH1-OE1 3.09Å; Y140-E166 WeakPolarHBondContact CE1-OE2 3.48Å; Y140-E166 VanDerWaalsContact CZ-OE2 3.25Å; Y140-E166 PolarHBondContact OH-OE1 2.94Å; Y140-E166 PolarHBondContact OH-OE2 3.38Å; Y162-E166 WeakPolarHBondContact O-CB 3.32Å; Y162-E166 PolarHBondContact O-N 3.1Å; M163-E166 PolarHBondContact O-N 2.85Å; E166-G170 CarbonylContact O-C 3.54Å; E166-G170 WeakPolarHBondContact O-CA 3.36Å; E166-G170 PolarHBondContact O-N 2.68Å; E166-K171 PolarHBondContact O-N 2.73Å; E166-L172 HydrophobicContact CB-CD1 4.11Å; E166-L172 HydrophobicContact CB-CD2 4.49Å; E166-L172 HydrophobicContact CB-CG 3.88Å; E166-L172 HydrophobicContact CG-CD1 4.42Å; E166-L172 HydrophobicContact CG-CG 4.17Å
167F98.7Very high98Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-58.7-48.9175.6-71-9.6000111.6L49 F53 G59 F60 T65 L68 P91 M163 L164 V165L49-F167 HydrophobicContact CB-CZ 3.99Å; L49-F167 HydrophobicContact CD1-CE2 4.22Å; L49-F167 HydrophobicContact CD1-CZ 4.33Å; F53-F167 HydrophobicContact CB-CD1 4.43Å; F53-F167 HydrophobicContact CB-CE1 4.13Å; F53-F167 AromaticContact CD2-CD1 3.55Å; F53-F167 HydrophobicContact CD2-CD1 3.55Å; F53-F167 HydrophobicContact CD2-CE1 4.09Å; F53-F167 AromaticContact CE2-CD1 3.96Å; F53-F167 HydrophobicContact CE2-CD1 3.96Å; F53-F167 HydrophobicContact CG-CD1 4.05Å; F53-F167 HydrophobicContact CG-CE1 4.13Å; G59-F167 WeakPolarHBondContact CA-O 3.31Å; F60-F167 HydrophobicContact CB-CB 4.46Å; F60-F167 HydrophobicContact CD2-CB 3.74Å; F60-F167 AromaticContact CD2-CD1 3.95Å; F60-F167 HydrophobicContact CD2-CD1 3.95Å; F60-F167 AromaticContact CD2-CD2 3.92Å; F60-F167 HydrophobicContact CD2-CD2 3.92Å; F60-F167 AromaticContact CD2-CG 3.6Å; F60-F167 HydrophobicContact CD2-CG 3.6Å; F60-F167 HydrophobicContact CE2-CB 4.49Å; F60-F167 AromaticContact CE2-CD1 3.84Å; F60-F167 HydrophobicContact CE2-CD1 3.84Å; F60-F167 HydrophobicContact CE2-CD2 4.07Å; F60-F167 AromaticContact CE2-CE1 4Å; F60-F167 HydrophobicContact CE2-CE1 4Å; F60-F167 HydrophobicContact CE2-CE2 4.24Å; F60-F167 AromaticContact CE2-CG 3.88Å; F60-F167 HydrophobicContact CE2-CG 3.88Å; F60-F167 HydrophobicContact CE2-CZ 4.19Å; F60-F167 HydrophobicContact CG-CB 4.5Å; F60-F167 PolarHBondContact N-O 2.96Å; T65-F167 HydrophobicContact CG2-CB 3.88Å; L68-F167 HydrophobicContact CD1-CE2 4.42Å; P91-F167 HydrophobicContact CB-CE1 4.01Å; P91-F167 HydrophobicContact CB-CZ 3.92Å; P91-F167 HydrophobicContact CG-CE1 3.84Å; P91-F167 HydrophobicContact CG-CZ 3.95Å; M163-F167 HydrophobicContact CE-CE2 4.27Å; M163-F167 HydrophobicContact CE-CZ 4.06Å; M163-F167 WeakPolarHBondContact O-CB 3.18Å; M163-F167 WeakPolarHBondContact O-CD1 3.35Å; M163-F167 WeakPolarHBondContact O-CG 3.44Å; M163-F167 PolarHBondContact O-N 3.02Å; L164-F167 HydrophobicContact CD2-CD2 4.23Å; L164-F167 PolarHBondContact O-N 3.06Å; V165-F167 PolarHBondContact O-N 3.42Å
168A98.6Very high97.7Very high22 Ų2234.4 Ų34.418%0.18219%0.185CC..Hα-helixtrans-76.5-27.9-17600000114.6L62 T65 L164 V165 L199 F203L62-A168 HydrophobicContact CD2-CB 3.97Å; T65-A168 HydrophobicContact CG2-CB 4.21Å; L164-A168 WeakPolarHBondContact O-CB 3.36Å; L164-A168 PolarHBondContact O-N 3.43Å; V165-A168 PolarHBondContact O-N 3.11Å; A168-L199 HydrophobicContact CB-CD1 4.43Å; A168-L199 HydrophobicContact CB-CD2 3.52Å; A168-F203 HydrophobicContact CB-CZ 4.34Å
169L98Very high97.6Very high52 Ų5237.7 Ų37.727%0.27220%0.204SC..Hα-helixtrans-106.8-7.6-177.8-63.2-177.7000114.1V165 K171 L195 P198 L199V165-L169 HydrophobicContact CG1-CD1 3.87Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 PolarHBondContact O-N 3.48Å; L169-K171 PolarHBondContact O-N 3.21Å; L169-L195 WeakPolarHBondContact CD1-O 3.36Å; L169-P198 HydrophobicContact CD2-CG 3.63Å; L169-L199 HydrophobicContact CD1-CD1 4.07Å; L169-L199 HydrophobicContact CD1-CG 4.18Å; L169-L199 HydrophobicContact CD2-CD1 4.46Å; L169-L199 HydrophobicContact CD2-CD2 3.65Å; L169-L199 HydrophobicContact CD2-CG 3.84Å; L169-L199 HydrophobicContact CG-CD1 4.05Å; L169-L199 HydrophobicContact CG-CD2 3.99Å; L169-L199 HydrophobicContact CG-CG 3.99Å
170G97.6Very high97.4Very high26 Ų2640.9 Ų40.927%0.26822%0.22SC..SBendtrans73.2-0.2-174.600000114.8E166E166-G170 CarbonylContact O-C 3.54Å; E166-G170 WeakPolarHBondContact O-CA 3.36Å; E166-G170 PolarHBondContact O-N 2.68Å
171K96.9Very high97.2Very high131 Ų13146.9 Ų46.957%0.5725%0.252SS*.  trans-162.2161.4-175.763.1-177.4179.7-177.60113.8E166 L169E166-K171 PolarHBondContact O-N 2.73Å; L169-K171 PolarHBondContact O-N 3.21Å
172L98Very high97.2Very high4 Ų448.3 Ų48.32%0.02126%0.264CS..  trans-116146.7164.3-71.3165.4000111.2R139 Y140 V165 E166 W174 Q175 L195R139-L172 HydrophobicContact CG-CD1 3.9Å; Y140-L172 HydrophobicContact CD1-CD1 4.3Å; Y140-L172 HydrophobicContact CE1-CD1 4.11Å; V165-L172 HydrophobicContact CB-CD2 4.22Å; V165-L172 HydrophobicContact CG1-CD2 3.98Å; E166-L172 HydrophobicContact CB-CD1 4.11Å; E166-L172 HydrophobicContact CB-CD2 4.49Å; E166-L172 HydrophobicContact CB-CG 3.88Å; E166-L172 HydrophobicContact CG-CD1 4.42Å; E166-L172 HydrophobicContact CG-CG 4.17Å; L172-W174 HydrophobicContact CD1-CZ2 4.47Å; L172-W174 HydrophobicContact CD2-CH2 4.49Å; L172-W174 HydrophobicContact CD2-CZ2 4.03Å; L172-W174 PolarHBondContact O-N 2.66Å; L172-W174 VanDerWaalsContact O-N 3.13Å; L172-Q175 HydrophobicContact CB-CB 4.2Å; L172-Q175 VanDerWaalsContact N-OE1 3.08Å; L172-Q175 WeakPolarHBondContact O-CB 3.24Å; L172-Q175 VanDerWaalsContact O-CG 3.32Å; L172-Q175 WeakPolarHBondContact O-CG 3.26Å; L172-Q175 PolarHBondContact O-N 2.96Å; L172-Q175 VanDerWaalsContact O-N 3.14Å; L172-L195 HydrophobicContact CD2-CD1 4.17Å
173P97.8Very high97.1Very high73 Ų7348.2 Ų48.247%0.47426%0.264SS..THydrogen-bonded Turntrans-56.9-30.5-179.3-28.236.9000114.8I190 L195P173-I190 HydrophobicContact CB-CD1 3.98Å; P173-I190 HydrophobicContact CG-CD1 3.63Å; P173-L195 HydrophobicContact CG-CD1 4.12Å
174W97.7Very high97.1Very high4 Ų448.3 Ų48.32%0.01527%0.265CS..THydrogen-bonded Turntrans-106.114.1-178.555.377.5000113.6R139 Y162 L172 H176 E177 I186 K187 I190 L195R139-W174 PolarHBondContact O-NE1 2.9Å; Y162-W174 AromaticContact CD1-CH2 3.89Å; Y162-W174 HydrophobicContact CD1-CH2 3.89Å; Y162-W174 AromaticContact CD1-CZ2 3.64Å; Y162-W174 HydrophobicContact CD1-CZ2 3.64Å; Y162-W174 HydrophobicContact CD2-CZ2 4.19Å; Y162-W174 AromaticContact CE1-CH2 3.64Å; Y162-W174 HydrophobicContact CE1-CH2 3.64Å; Y162-W174 AromaticContact CE1-CZ2 3.71Å; Y162-W174 HydrophobicContact CE1-CZ2 3.71Å; Y162-W174 HydrophobicContact CE2-CZ2 4.24Å; Y162-W174 AromaticContact CG-CZ2 3.9Å; Y162-W174 HydrophobicContact CG-CZ2 3.9Å; L172-W174 HydrophobicContact CD1-CZ2 4.47Å; L172-W174 HydrophobicContact CD2-CH2 4.49Å; L172-W174 HydrophobicContact CD2-CZ2 4.03Å; L172-W174 PolarHBondContact O-N 2.66Å; L172-W174 VanDerWaalsContact O-N 3.13Å; W174-H176 PolarHBondContact O-N 3.48Å; W174-E177 HydrophobicContact CB-CB 4.27Å; W174-E177 WeakPolarHBondContact O-CB 3.17Å; W174-E177 PolarHBondContact O-N 3.42Å; W174-I186 HydrophobicContact CB-CD1 4.03Å; W174-I186 HydrophobicContact CB-CG2 4.44Å; W174-I186 HydrophobicContact CE3-CB 4.42Å; W174-I186 HydrophobicContact CE3-CG2 3.62Å; W174-I186 HydrophobicContact CZ3-CG2 4.3Å; W174-K187 HydrophobicContact CD2-CG 3.9Å; W174-K187 HydrophobicContact CE3-CG 4.02Å; W174-K187 HydrophobicContact CH2-CG 3.85Å; W174-K187 HydrophobicContact CZ2-CD 4.3Å; W174-K187 HydrophobicContact CZ2-CG 3.77Å; W174-K187 HydrophobicContact CZ3-CG 3.98Å; W174-I190 HydrophobicContact CE3-CD1 4.47Å; W174-I190 HydrophobicContact CZ3-CD1 3.88Å; W174-I190 HydrophobicContact CZ3-CG2 4.2Å; W174-L195 HydrophobicContact CH2-CD1 3.69Å; W174-L195 HydrophobicContact CH2-CD2 4.29Å; W174-L195 HydrophobicContact CZ3-CD1 3.98Å
175Q95.7Very high97Very high44 Ų4454.5 Ų54.521%0.20629%0.292CS..THydrogen-bonded Turntrans-61.2-20.1-169.669.2-172.58.900115.8L172L172-Q175 HydrophobicContact CB-CB 4.2Å; L172-Q175 VanDerWaalsContact N-OE1 3.08Å; L172-Q175 WeakPolarHBondContact O-CB 3.24Å; L172-Q175 VanDerWaalsContact O-CG 3.32Å; L172-Q175 WeakPolarHBondContact O-CG 3.26Å; L172-Q175 PolarHBondContact O-N 2.96Å; L172-Q175 VanDerWaalsContact O-N 3.14Å
176H95.3Very high97Very high154 Ų15457 Ų5771%0.71331%0.305SS*.THydrogen-bonded Turntrans-104.50.4177.5-56.5-56000113W174W174-H176 PolarHBondContact O-N 3.48Å
177E96.5Very high97Very high67 Ų6757.4 Ų57.431%0.31331%0.307SS..  trans-79.2121.5176.5-173.552.6-94.600109.6W174 D179 A182 A183W174-E177 HydrophobicContact CB-CB 4.27Å; W174-E177 WeakPolarHBondContact O-CB 3.17Å; W174-E177 PolarHBondContact O-N 3.42Å; E177-D179 WeakPolarHBondContact OE1-CB 3.41Å; E177-D179 PolarHBondContact OE1-N 2.84Å; E177-A182 HydrophobicContact CG-CB 3.83Å; E177-A183 HydrophobicContact CB-CB 4.29Å; E177-A183 HydrophobicContact CG-CB 3.89Å
178T92.3Very high96.9Very high123 Ų12361.7 Ų61.776%0.75533%0.327SS*.  trans-103-18.7179.356.40000112L180T178-L180 PolarHBondContact O-N 2.86Å
179D95.7Very high96.9Very high82 Ų8263.4 Ų63.444%0.43934%0.335SS..  trans-73.3123.6174.7-175.4-92.4000110.5E177 D181 A182 A183E177-D179 WeakPolarHBondContact OE1-CB 3.41Å; E177-D179 PolarHBondContact OE1-N 2.84Å; D179-D181 PolarHBondContact O-N 3.14Å; D179-D181 PolarHBondContact OD1-N 3.18Å; D179-D181 VanDerWaalsContact OD1-N 3.15Å; D179-A182 HydrophobicContact CB-CB 3.9Å; D179-A182 WeakPolarHBondContact OD1-CB 3.37Å; D179-A182 PolarHBondContact OD1-N 3.05Å; D179-A183 WeakPolarHBondContact O-CB 3.26Å; D179-A183 PolarHBondContact O-N 2.94Å
180L94.5Very high96.9Very high71 Ų7162.1 Ų62.137%0.37233%0.328SS..Hα-helixtrans-61.7-44.6-175.9-67.9174.6000111.5F134 V138 H146 T178 G184F134-L180 HydrophobicContact CD1-CD2 3.96Å; F134-L180 HydrophobicContact CD2-CD2 4.27Å; F134-L180 HydrophobicContact CE1-CD2 3.88Å; F134-L180 HydrophobicContact CE2-CD2 4.21Å; F134-L180 HydrophobicContact CG-CD1 4.46Å; F134-L180 HydrophobicContact CG-CD2 4.15Å; F134-L180 HydrophobicContact CZ-CD2 4.04Å; V138-L180 HydrophobicContact CB-CD2 4.33Å; V138-L180 HydrophobicContact CG1-CD2 4.15Å; V138-L180 HydrophobicContact CG2-CD2 3.37Å; H146-L180 PolarHBondContact ND1-O 3.09Å; H146-L180 VanDerWaalsContact ND1-O 3.17Å; T178-L180 PolarHBondContact O-N 2.86Å; L180-G184 PolarHBondContact O-N 2.93Å
181D96Very high96.9Very high126 Ų12668.6 Ų68.667%0.67434%0.344SS*.Hα-helixtrans-71.9-39.8-175.8-68.1-33.5000110.8D179 G184 F185D179-D181 PolarHBondContact O-N 3.14Å; D179-D181 PolarHBondContact OD1-N 3.18Å; D179-D181 VanDerWaalsContact OD1-N 3.15Å; D181-G184 PolarHBondContact O-N 3.02Å; D181-F185 VanDerWaalsContact O-CB 3.29Å; D181-F185 WeakPolarHBondContact O-CB 3.23Å; D181-F185 PolarHBondContact O-N 3.13Å
182A97.6Very high96.9Very high31 Ų3164.6 Ų64.626%0.25633%0.332SS..Hα-helixtrans-64.9-4817600000112E177 D179 G184 F185 I186E177-A182 HydrophobicContact CG-CB 3.83Å; D179-A182 HydrophobicContact CB-CB 3.9Å; D179-A182 WeakPolarHBondContact OD1-CB 3.37Å; D179-A182 PolarHBondContact OD1-N 3.05Å; A182-G184 VanDerWaalsContact C-N 3.3Å; A182-G184 PolarHBondContact O-N 3.14Å; A182-F185 PolarHBondContact O-N 2.8Å; A182-I186 WeakPolarHBondContact O-CG1 3.5Å; A182-I186 PolarHBondContact O-N 3.22Å
183A97.8Very high96.9Very high0 Ų069.7 Ų69.70%036%0.359CS..Hα-helixtrans-60.5-42.7176.100000111.2V138 E177 D179 K187V138-A183 HydrophobicContact CG1-CB 3.78Å; E177-A183 HydrophobicContact CB-CB 4.29Å; E177-A183 HydrophobicContact CG-CB 3.89Å; D179-A183 WeakPolarHBondContact O-CB 3.26Å; D179-A183 PolarHBondContact O-N 2.94Å; A183-K187 VanDerWaalsContact O-CG 3.27Å; A183-K187 WeakPolarHBondContact O-CG 3.12Å; A183-K187 PolarHBondContact O-N 2.71Å; A183-K187 VanDerWaalsContact O-N 3.13Å
184G97.7Very high96.9Very high2 Ų271.6 Ų71.62%0.02137%0.365CS..Hα-helixtrans-61-43.5174.700000113.1H146 L180 D181 A182 K187 Q188H146-G184 VanDerWaalsContact CG-CA 3.44Å; L180-G184 PolarHBondContact O-N 2.93Å; D181-G184 PolarHBondContact O-N 3.02Å; A182-G184 VanDerWaalsContact C-N 3.3Å; A182-G184 PolarHBondContact O-N 3.14Å; G184-K187 PolarHBondContact O-N 3.25Å; G184-Q188 VanDerWaalsContact O-CG 3.29Å; G184-Q188 WeakPolarHBondContact O-CG 3.4Å; G184-Q188 PolarHBondContact O-N 2.8Å; G184-Q188 VanDerWaalsContact O-N 3.09Å; G184-Q188 PolarHBondContact O-NE2 2.86Å
185F98Very high97Very high132 Ų13271.6 Ų71.658%0.57937%0.365SS*.Hα-helixtrans-64.7-44.4178.7-178.9-97.6000112.1D181 A182 K187 Q188 T189D181-F185 VanDerWaalsContact O-CB 3.29Å; D181-F185 WeakPolarHBondContact O-CB 3.23Å; D181-F185 PolarHBondContact O-N 3.13Å; A182-F185 PolarHBondContact O-N 2.8Å; F185-K187 VanDerWaalsContact C-N 3.33Å; F185-K187 PolarHBondContact O-N 3.01Å; F185-Q188 PolarHBondContact O-N 3.42Å; F185-T189 HydrophobicContact CD2-CG2 4.22Å; F185-T189 HydrophobicContact CE1-CG2 4.18Å; F185-T189 HydrophobicContact CE2-CG2 3.85Å; F185-T189 HydrophobicContact CZ-CG2 3.83Å; F185-T189 WeakPolarHBondContact O-CB 3.36Å; F185-T189 WeakPolarHBondContact O-CG2 3.32Å; F185-T189 PolarHBondContact O-N 3.29Å; F185-T189 VanDerWaalsContact O-N 3.12Å; F185-T189 PolarHBondContact O-OG1 2.96Å
186I98.3Very high97.1Very high52 Ų5269.5 Ų69.527%0.26736%0.356SS..Hα-helixtrans-58.8-48.3176-62.6164.1000109.5W174 A182 Q188 T189 I190W174-I186 HydrophobicContact CB-CD1 4.03Å; W174-I186 HydrophobicContact CB-CG2 4.44Å; W174-I186 HydrophobicContact CE3-CB 4.42Å; W174-I186 HydrophobicContact CE3-CG2 3.62Å; W174-I186 HydrophobicContact CZ3-CG2 4.3Å; A182-I186 WeakPolarHBondContact O-CG1 3.5Å; A182-I186 PolarHBondContact O-N 3.22Å; I186-Q188 VanDerWaalsContact C-N 3.26Å; I186-Q188 PolarHBondContact O-N 2.67Å; I186-T189 PolarHBondContact O-N 3.44Å; I186-T189 VanDerWaalsContact O-N 3.15Å; I186-T189 PolarHBondContact O-OG1 3.24Å; I186-I190 VanDerWaalsContact O-CB 3.25Å; I186-I190 WeakPolarHBondContact O-CB 3.39Å; I186-I190 WeakPolarHBondContact O-CG2 3.47Å; I186-I190 PolarHBondContact O-N 2.88Å
187K98.1Very high97.1Very high10 Ų1064.1 Ų64.14%0.04334%0.341CS..Hα-helixtrans-60.9-32.3-179.8-72.1170.3175.9-170.80113.9V138 R139 A141 P143 H146 Y162 W174 A183 G184 F185V138-K187 PolarHBondContact O-NZ 2.98Å; R139-K187 WeakPolarHBondContact O-CE 3.43Å; R139-K187 PolarHBondContact O-NZ 3.16Å; A141-K187 PolarHBondContact O-NZ 3.18Å; P143-K187 HydrophobicContact CG-CB 4.15Å; H146-K187 PolarHBondContact NE2-NZ 3.35Å; Y162-K187 HydrophobicContact CE2-CD 4.07Å; Y162-K187 HydrophobicContact CE2-CG 4.46Å; W174-K187 HydrophobicContact CD2-CG 3.9Å; W174-K187 HydrophobicContact CE3-CG 4.02Å; W174-K187 HydrophobicContact CH2-CG 3.85Å; W174-K187 HydrophobicContact CZ2-CD 4.3Å; W174-K187 HydrophobicContact CZ2-CG 3.77Å; W174-K187 HydrophobicContact CZ3-CG 3.98Å; A183-K187 VanDerWaalsContact O-CG 3.27Å; A183-K187 WeakPolarHBondContact O-CG 3.12Å; A183-K187 PolarHBondContact O-N 2.71Å; A183-K187 VanDerWaalsContact O-N 3.13Å; G184-K187 PolarHBondContact O-N 3.25Å; F185-K187 VanDerWaalsContact C-N 3.33Å; F185-K187 PolarHBondContact O-N 3.01Å
188Q97.3Very high97.1Very high90 Ų9066.3 Ų66.342%0.42136%0.362SS..Hα-helixtrans-78.9-25.3178.5-73.1172.857.100113.4P143 N147 G184 F185 I186P143-Q188 HydrophobicContact CB-CG 3.78Å; N147-Q188 VanDerWaalsContact CG-NE2 3.3Å; N147-Q188 PolarHBondContact ND2-NE2 3.45Å; N147-Q188 PolarHBondContact ND2-OE1 2.91Å; N147-Q188 PolarHBondContact OD1-NE2 3.43Å; G184-Q188 VanDerWaalsContact O-CG 3.29Å; G184-Q188 WeakPolarHBondContact O-CG 3.4Å; G184-Q188 PolarHBondContact O-N 2.8Å; G184-Q188 VanDerWaalsContact O-N 3.09Å; G184-Q188 PolarHBondContact O-NE2 2.86Å; F185-Q188 PolarHBondContact O-N 3.42Å; I186-Q188 VanDerWaalsContact C-N 3.26Å; I186-Q188 PolarHBondContact O-N 2.67Å
189T97.5Very high97.4Very high57 Ų5761.1 Ų61.135%0.3533%0.329SS..Hα-helixtrans-111.7-21.1-169.356.80000113.9F185 I186 R191F185-T189 HydrophobicContact CD2-CG2 4.22Å; F185-T189 HydrophobicContact CE1-CG2 4.18Å; F185-T189 HydrophobicContact CE2-CG2 3.85Å; F185-T189 HydrophobicContact CZ-CG2 3.83Å; F185-T189 WeakPolarHBondContact O-CB 3.36Å; F185-T189 WeakPolarHBondContact O-CG2 3.32Å; F185-T189 PolarHBondContact O-N 3.29Å; F185-T189 VanDerWaalsContact O-N 3.12Å; F185-T189 PolarHBondContact O-OG1 2.96Å; I186-T189 PolarHBondContact O-N 3.44Å; I186-T189 VanDerWaalsContact O-N 3.15Å; I186-T189 PolarHBondContact O-OG1 3.24Å; T189-R191 PolarHBondContact O-N 3.12Å; T189-R191 PolarHBondContact O-NH1 3.45Å
190I98Very high97.5Very high26 Ų2658.1 Ų58.113%0.13331%0.314CS..  trans-55.1134.5-179.3-165.9163.1000111.1P173 W174 I186 D194 L195P173-I190 HydrophobicContact CB-CD1 3.98Å; P173-I190 HydrophobicContact CG-CD1 3.63Å; W174-I190 HydrophobicContact CE3-CD1 4.47Å; W174-I190 HydrophobicContact CZ3-CD1 3.88Å; W174-I190 HydrophobicContact CZ3-CG2 4.2Å; I186-I190 VanDerWaalsContact O-CB 3.25Å; I186-I190 WeakPolarHBondContact O-CB 3.39Å; I186-I190 WeakPolarHBondContact O-CG2 3.47Å; I186-I190 PolarHBondContact O-N 2.88Å; I190-D194 HydrophobicContact CD1-CB 4.3Å; I190-D194 HydrophobicContact CG1-CB 3.83Å; I190-L195 HydrophobicContact CD1-CB 3.82Å; I190-L195 HydrophobicContact CD1-CD1 4.32Å; I190-L195 HydrophobicContact CG1-CB 4.16Å
191R97.6Very high97.7Very high162 Ų16261.4 Ų61.461%0.61133%0.326SS*.  trans-79.1146.6174.7-58.7-63.5-176.5-114.77.8109.5T189 N193 D194 L195T189-R191 PolarHBondContact O-N 3.12Å; T189-R191 PolarHBondContact O-NH1 3.45Å; R191-N193 PolarHBondContact O-N 2.91Å; R191-N193 VanDerWaalsContact O-N 3.11Å; R191-D194 WeakPolarHBondContact CB-OD2 3.21Å; R191-D194 PolarHBondContact O-N 2.94Å; R191-L195 PolarHBondContact O-N 3.4Å; R191-L195 VanDerWaalsContact O-N 3.17Å
192P97.8Very high97.8Very high47 Ų4755.8 Ų55.831%0.30530%0.296SS..Hα-helixtrans-50.5-39.8177.8-30.335.7000113.5D194 L195 L196 Y204 M207P192-D194 PolarHBondContact O-N 3.13Å; P192-L195 PolarHBondContact O-N 3.2Å; P192-L196 VanDerWaalsContact O-CB 3.26Å; P192-L196 WeakPolarHBondContact O-CB 3.43Å; P192-L196 WeakPolarHBondContact O-CG 3.46Å; P192-L196 PolarHBondContact O-N 3.03Å; P192-Y204 HydrophobicContact CB-CD1 3.92Å; P192-Y204 HydrophobicContact CB-CE1 3.96Å; P192-M207 HydrophobicContact CB-SD 4.07Å; P192-M207 HydrophobicContact CG-CE 4.14Å; P192-M207 HydrophobicContact CG-SD 4.13Å
193N97.9Very high97.9Very high110 Ų11054.5 Ų54.559%0.58829%0.285SS*.Hα-helixtrans-67.2-30.6177-73.9-22.5000114.2R191 L195 G197 Y204R191-N193 PolarHBondContact O-N 2.91Å; R191-N193 VanDerWaalsContact O-N 3.11Å; N193-L195 VanDerWaalsContact C-N 3.34Å; N193-G197 VanDerWaalsContact O-CA 3.24Å; N193-G197 WeakPolarHBondContact O-CA 3.42Å; N193-G197 PolarHBondContact O-N 3.04Å; N193-Y204 WeakPolarHBondContact OD1-CE1 3.34Å; N193-Y204 PolarHBondContact OD1-OH 3.31Å
194D98Very high97.9Very high114 Ų11456.6 Ų56.661%0.6129%0.293SS*.Hα-helixtrans-77-26.5178.1-59.9-35.9000111.4I190 R191 P192I190-D194 HydrophobicContact CD1-CB 4.3Å; I190-D194 HydrophobicContact CG1-CB 3.83Å; R191-D194 WeakPolarHBondContact CB-OD2 3.21Å; R191-D194 PolarHBondContact O-N 2.94Å; P192-D194 PolarHBondContact O-N 3.13Å
195L98.5Very high98Very high4 Ų458.5 Ų58.52%0.02130%0.301CS..Hα-helixtrans-84.4-47.8175.1179.956.6000112.3F161 Y162 V165 L169 L172 P173 W174 I190 R191 P192 N193 M207F161-L195 HydrophobicContact CE1-CD2 4.08Å; Y162-L195 HydrophobicContact CE1-CD2 4.26Å; V165-L195 HydrophobicContact CG1-CD1 3.98Å; V165-L195 HydrophobicContact CG1-CG 4.33Å; L169-L195 WeakPolarHBondContact CD1-O 3.36Å; L172-L195 HydrophobicContact CD2-CD1 4.17Å; P173-L195 HydrophobicContact CG-CD1 4.12Å; W174-L195 HydrophobicContact CH2-CD1 3.69Å; W174-L195 HydrophobicContact CH2-CD2 4.29Å; W174-L195 HydrophobicContact CZ3-CD1 3.98Å; I190-L195 HydrophobicContact CD1-CB 3.82Å; I190-L195 HydrophobicContact CD1-CD1 4.32Å; I190-L195 HydrophobicContact CG1-CB 4.16Å; R191-L195 PolarHBondContact O-N 3.4Å; R191-L195 VanDerWaalsContact O-N 3.17Å; P192-L195 PolarHBondContact O-N 3.2Å; N193-L195 VanDerWaalsContact C-N 3.34Å; L195-M207 HydrophobicContact CD2-CE 4.47Å; L195-M207 HydrophobicContact CD2-SD 4.19Å
196L98.5Very high98Very high0 Ų052.3 Ų52.30%027%0.274CS..Hα-helixtrans-99.2-26.1-166.6-55178.2000113F161 V165 P192 P198 L199 F203 Y204 M207F161-L196 HydrophobicContact CE1-CD2 4.08Å; F161-L196 HydrophobicContact CE2-CD2 4.44Å; F161-L196 HydrophobicContact CZ-CD1 4.18Å; F161-L196 HydrophobicContact CZ-CD2 3.53Å; F161-L196 HydrophobicContact CZ-CG 4.44Å; V165-L196 HydrophobicContact CG1-CD2 4.34Å; V165-L196 HydrophobicContact CG2-CD2 3.49Å; V165-L196 VanDerWaalsContact CG2-CD2 3.49Å; P192-L196 VanDerWaalsContact O-CB 3.26Å; P192-L196 WeakPolarHBondContact O-CB 3.43Å; P192-L196 WeakPolarHBondContact O-CG 3.46Å; P192-L196 PolarHBondContact O-N 3.03Å; L196-P198 WeakPolarHBondContact O-CD 3.33Å; L196-L199 HydrophobicContact CB-CB 4.36Å; L196-L199 HydrophobicContact CB-CD1 4.46Å; L196-L199 HydrophobicContact CD2-CD1 4.04Å; L196-L199 WeakPolarHBondContact O-CB 3.34Å; L196-L199 VanDerWaalsContact O-CG 3.25Å; L196-L199 WeakPolarHBondContact O-CG 3.39Å; L196-L199 PolarHBondContact O-N 3.49Å; L196-F203 HydrophobicContact CD1-CB 4.35Å; L196-F203 HydrophobicContact CD2-CB 4.47Å; L196-Y204 HydrophobicContact CB-CD2 4.43Å; L196-Y204 HydrophobicContact CB-CE1 4.14Å; L196-Y204 HydrophobicContact CB-CE2 3.84Å; L196-Y204 HydrophobicContact CD1-CD1 3.75Å; L196-Y204 HydrophobicContact CD1-CD2 3.95Å; L196-Y204 HydrophobicContact CD1-CE1 4Å; L196-Y204 HydrophobicContact CD1-CE2 4.18Å; L196-Y204 HydrophobicContact CD1-CG 3.74Å; L196-M207 HydrophobicContact CD1-CB 4.47Å; L196-M207 HydrophobicContact CD1-SD 4.2Å
197G95.5Very high98Very high40 Ų4050.3 Ų50.341%0.41226%0.263SS..THydrogen-bonded Turntrans42-102.7174.100000114.4N193 Y204N193-G197 VanDerWaalsContact O-CA 3.24Å; N193-G197 WeakPolarHBondContact O-CA 3.42Å; N193-G197 PolarHBondContact O-N 3.04Å; G197-Y204 PolarHBondContact O-OH 3.03Å
198P96.6Very high98Very high114 Ų11454.8 Ų54.874%0.7428%0.284SS*.THydrogen-bonded Turntrans-83.9-2.8-176.636.4-38.1000115.1L169 L196L169-P198 HydrophobicContact CD2-CG 3.63Å; L196-P198 WeakPolarHBondContact O-CD 3.33Å
199L98.4Very high98.1Very high13 Ų1350.7 Ų50.77%0.06827%0.266CS..SBendtrans-65.5149.9-176.7-65.7-176.6000111.8L62 V165 A168 L169 L196 F203 Y204L62-L199 HydrophobicContact CD2-CD2 3.92Å; V165-L199 HydrophobicContact CG1-CD1 4.33Å; V165-L199 HydrophobicContact CG2-CD1 4.2Å; A168-L199 HydrophobicContact CB-CD1 4.43Å; A168-L199 HydrophobicContact CB-CD2 3.52Å; L169-L199 HydrophobicContact CD1-CD1 4.07Å; L169-L199 HydrophobicContact CD1-CG 4.18Å; L169-L199 HydrophobicContact CD2-CD1 4.46Å; L169-L199 HydrophobicContact CD2-CD2 3.65Å; L169-L199 HydrophobicContact CD2-CG 3.84Å; L169-L199 HydrophobicContact CG-CD1 4.05Å; L169-L199 HydrophobicContact CG-CD2 3.99Å; L169-L199 HydrophobicContact CG-CG 3.99Å; L196-L199 HydrophobicContact CB-CB 4.36Å; L196-L199 HydrophobicContact CB-CD1 4.46Å; L196-L199 HydrophobicContact CD2-CD1 4.04Å; L196-L199 WeakPolarHBondContact O-CB 3.34Å; L196-L199 VanDerWaalsContact O-CG 3.25Å; L196-L199 WeakPolarHBondContact O-CG 3.39Å; L196-L199 PolarHBondContact O-N 3.49Å; L199-F203 HydrophobicContact CB-CB 4.1Å; L199-F203 HydrophobicContact CB-CD2 4.11Å; L199-F203 HydrophobicContact CB-CG 4.09Å; L199-F203 HydrophobicContact CD1-CB 4.35Å; L199-F203 HydrophobicContact CD1-CD1 3.72Å; L199-F203 HydrophobicContact CD1-CD2 4.35Å; L199-F203 HydrophobicContact CD1-CE1 4.02Å; L199-F203 HydrophobicContact CD1-CG 3.9Å; L199-F203 HydrophobicContact CD1-CZ 4.45Å; L199-Y204 WeakPolarHBondContact O-CE2 3.36Å
200P98.2Very high98.2Very high19 Ų1948 Ų4812%0.12325%0.25CS..  trans-70.2159.3-17730-36.2000112.1L62 P202 F203 V231 M234L62-P200 HydrophobicContact CD1-CG 4.25Å; L62-P200 HydrophobicContact CD2-CG 4.48Å; P200-P202 VanDerWaalsContact C-N 3.28Å; P200-P202 WeakPolarHBondContact O-CD 3.32Å; P200-F203 HydrophobicContact CG-CD2 3.93Å; P200-F203 HydrophobicContact CG-CE2 4.28Å; P200-F203 PolarHBondContact O-N 2.95Å; P200-V231 HydrophobicContact CG-CG1 4.3Å; P200-V231 HydrophobicContact CG-CG2 4.12Å; P200-M234 HydrophobicContact CB-CE 3.62Å; P200-M234 HydrophobicContact CB-SD 3.88Å
201K98.4Very high98.1Very high141 Ų14152.1 Ų52.161%0.61327%0.269SS*.Hα-helixtrans-46-38.8-177.5-169.1-175.4-177.8-124.30115.1F203 Y204 E205K201-F203 PolarHBondContact O-N 3.29Å; K201-F203 VanDerWaalsContact O-N 3.16Å; K201-Y204 WeakPolarHBondContact O-CA 3.31Å; K201-Y204 WeakPolarHBondContact O-CB 3.47Å; K201-Y204 PolarHBondContact O-N 2.92Å; K201-E205 WeakPolarHBondContact CE-OE1 3.47Å; K201-E205 HydrophobicContact CG-CG 4.32Å; K201-E205 IonicContact NZ-OE1 3.07Å; K201-E205 PolarHBondContact NZ-OE1 3.11Å; K201-E205 PolarHBondContact O-N 3.32Å
202P98.7Very high98.2Very high8 Ų851.6 Ų51.65%0.05227%0.267CS..Hα-helixtrans-58.4-27.6178.5-25.935.7000114.6P200 E205 F206 K227 D230 V231 M234P200-P202 VanDerWaalsContact C-N 3.28Å; P200-P202 WeakPolarHBondContact O-CD 3.32Å; P202-E205 PolarHBondContact O-N 2.87Å; P202-F206 VanDerWaalsContact O-CB 3.32Å; P202-F206 WeakPolarHBondContact O-CB 3.19Å; P202-F206 PolarHBondContact O-N 2.93Å; P202-K227 HydrophobicContact CB-CB 4.28Å; P202-K227 VanDerWaalsContact CB-O 3.23Å; P202-K227 WeakPolarHBondContact CB-O 3.46Å; P202-D230 HydrophobicContact CB-CB 4.29Å; P202-D230 HydrophobicContact CG-CB 3.81Å; P202-V231 HydrophobicContact CB-CG2 3.73Å; P202-V231 HydrophobicContact CG-CG2 4.02Å; P202-M234 HydrophobicContact CG-SD 4.05Å
203F98.8Very high98.2Very high4 Ų450.5 Ų50.52%0.01826%0.258CS..Hα-helixtrans-68-37.2173-83.8-94.6000112.5L62 T65 F161 L164 V165 A168 L196 L199 P200 K201 F206 M207 V231L62-F203 HydrophobicContact CD2-CE2 4.15Å; T65-F203 HydrophobicContact CG2-CZ 4.25Å; F161-F203 AromaticContact CE2-CD1 3.93Å; F161-F203 HydrophobicContact CE2-CD1 3.93Å; F161-F203 WeakPolarHBondContact CE2-O 3.42Å; L164-F203 HydrophobicContact CB-CE1 4.03Å; V165-F203 HydrophobicContact CG2-CD1 4.22Å; V165-F203 HydrophobicContact CG2-CE1 4.47Å; A168-F203 HydrophobicContact CB-CZ 4.34Å; L196-F203 HydrophobicContact CD1-CB 4.35Å; L196-F203 HydrophobicContact CD2-CB 4.47Å; L199-F203 HydrophobicContact CB-CB 4.1Å; L199-F203 HydrophobicContact CB-CD2 4.11Å; L199-F203 HydrophobicContact CB-CG 4.09Å; L199-F203 HydrophobicContact CD1-CB 4.35Å; L199-F203 HydrophobicContact CD1-CD1 3.72Å; L199-F203 HydrophobicContact CD1-CD2 4.35Å; L199-F203 HydrophobicContact CD1-CE1 4.02Å; L199-F203 HydrophobicContact CD1-CG 3.9Å; L199-F203 HydrophobicContact CD1-CZ 4.45Å; P200-F203 HydrophobicContact CG-CD2 3.93Å; P200-F203 HydrophobicContact CG-CE2 4.28Å; P200-F203 PolarHBondContact O-N 2.95Å; K201-F203 PolarHBondContact O-N 3.29Å; K201-F203 VanDerWaalsContact O-N 3.16Å; F203-F206 PolarHBondContact O-N 2.88Å; F203-M207 PolarHBondContact O-N 2.71Å; F203-V231 HydrophobicContact CD2-CG2 4.05Å; F203-V231 HydrophobicContact CE2-CG1 4.33Å; F203-V231 HydrophobicContact CE2-CG2 3.87Å
204Y98.8Very high98.1Very high43 Ų4348.6 Ų48.617%0.16925%0.25CS..Hα-helixtrans-66.5-45.3174.1-70.7-98.2000110.7P192 N193 L196 G197 L199 K201 F206 M207 E208P192-Y204 HydrophobicContact CB-CD1 3.92Å; P192-Y204 HydrophobicContact CB-CE1 3.96Å; N193-Y204 WeakPolarHBondContact OD1-CE1 3.34Å; N193-Y204 PolarHBondContact OD1-OH 3.31Å; L196-Y204 HydrophobicContact CB-CD2 4.43Å; L196-Y204 HydrophobicContact CB-CE1 4.14Å; L196-Y204 HydrophobicContact CB-CE2 3.84Å; L196-Y204 HydrophobicContact CD1-CD1 3.75Å; L196-Y204 HydrophobicContact CD1-CD2 3.95Å; L196-Y204 HydrophobicContact CD1-CE1 4Å; L196-Y204 HydrophobicContact CD1-CE2 4.18Å; L196-Y204 HydrophobicContact CD1-CG 3.74Å; G197-Y204 PolarHBondContact O-OH 3.03Å; L199-Y204 WeakPolarHBondContact O-CE2 3.36Å; K201-Y204 WeakPolarHBondContact O-CA 3.31Å; K201-Y204 WeakPolarHBondContact O-CB 3.47Å; K201-Y204 PolarHBondContact O-N 2.92Å; Y204-F206 VanDerWaalsContact C-N 3.31Å; Y204-F206 PolarHBondContact O-N 2.76Å; Y204-M207 PolarHBondContact O-N 3.29Å; Y204-E208 WeakPolarHBondContact O-CG 3.47Å; Y204-E208 PolarHBondContact O-N 2.8Å
205E98.7Very high98.1Very high42 Ų4244.3 Ų44.320%0.19623%0.226CC..Hα-helixtrans-59.5-44.5175.1-65.2178.5170.900110.7K201 P202 M207 E208 G209 W223 K227K201-E205 WeakPolarHBondContact CE-OE1 3.47Å; K201-E205 HydrophobicContact CG-CG 4.32Å; K201-E205 IonicContact NZ-OE1 3.07Å; K201-E205 PolarHBondContact NZ-OE1 3.11Å; K201-E205 PolarHBondContact O-N 3.32Å; P202-E205 PolarHBondContact O-N 2.87Å; E205-M207 PolarHBondContact O-N 3.17Å; E205-E208 PolarHBondContact O-N 3.44Å; E205-G209 PolarHBondContact O-N 2.88Å; E205-W223 HydrophobicContact CB-CH2 4.42Å; E205-W223 VanDerWaalsContact O-CH2 3.31Å; E205-W223 WeakPolarHBondContact O-CH2 3.23Å; E205-K227 HydrophobicContact CB-CD 3.84Å; E205-K227 VanDerWaalsContact OE2-CD 3.28Å; E205-K227 WeakPolarHBondContact OE2-CD 3.45Å; E205-K227 IonicContact OE2-NZ 3.28Å; E205-K227 PolarHBondContact OE2-NZ 3.15Å
206F98.8Very high97.9Very high3 Ų348.1 Ų48.11%0.01325%0.249CC..Hα-helixtrans-55.2-50.5175.8-159.7-63.2000110.8F161 P202 F203 Y204 E208 G209 L210 F224 K227 L228F161-F206 HydrophobicContact CB-CD1 4.33Å; F161-F206 HydrophobicContact CB-CE1 4.12Å; F161-F206 HydrophobicContact CD2-CB 4.27Å; F161-F206 AromaticContact CD2-CD1 3.49Å; F161-F206 HydrophobicContact CD2-CD1 3.49Å; F161-F206 VanDerWaalsContact CD2-CD1 3.49Å; F161-F206 HydrophobicContact CD2-CE1 4.03Å; F161-F206 AromaticContact CD2-CG 3.99Å; F161-F206 HydrophobicContact CD2-CG 3.99Å; F161-F206 HydrophobicContact CE2-CB 4.03Å; F161-F206 HydrophobicContact CE2-CD1 4.09Å; F161-F206 HydrophobicContact CE2-CG 4.26Å; F161-F206 HydrophobicContact CG-CD1 4.17Å; F161-F206 HydrophobicContact CG-CE1 4.45Å; P202-F206 VanDerWaalsContact O-CB 3.32Å; P202-F206 WeakPolarHBondContact O-CB 3.19Å; P202-F206 PolarHBondContact O-N 2.93Å; F203-F206 PolarHBondContact O-N 2.88Å; Y204-F206 VanDerWaalsContact C-N 3.31Å; Y204-F206 PolarHBondContact O-N 2.76Å; F206-E208 PolarHBondContact O-N 3.44Å; F206-G209 WeakPolarHBondContact O-CA 3.31Å; F206-G209 PolarHBondContact O-N 2.98Å; F206-G209 VanDerWaalsContact O-N 3.11Å; F206-L210 HydrophobicContact CD1-CD1 3.9Å; F206-L210 HydrophobicContact CD1-CD2 4.38Å; F206-L210 HydrophobicContact CD1-CG 3.98Å; F206-L210 HydrophobicContact CE1-CD1 3.96Å; F206-L210 HydrophobicContact CE1-CD2 4Å; F206-L210 HydrophobicContact CE1-CG 4.07Å; F206-L210 WeakPolarHBondContact O-CG 3.44Å; F206-L210 PolarHBondContact O-N 3.42Å; F206-F224 AromaticContact CD1-CD1 3.62Å; F206-F224 HydrophobicContact CD1-CD1 3.62Å; F206-F224 AromaticContact CD1-CE1 3.7Å; F206-F224 HydrophobicContact CD1-CE1 3.7Å; F206-F224 AromaticContact CD2-CD1 3.76Å; F206-F224 HydrophobicContact CD2-CD1 3.76Å; F206-F224 AromaticContact CE1-CD1 3.44Å; F206-F224 HydrophobicContact CE1-CD1 3.44Å; F206-F224 VanDerWaalsContact CE1-CD1 3.44Å; F206-F224 AromaticContact CE1-CE1 3.71Å; F206-F224 HydrophobicContact CE1-CE1 3.71Å; F206-F224 HydrophobicContact CE1-CG 4.41Å; F206-F224 HydrophobicContact CE2-CB 3.87Å; F206-F224 AromaticContact CE2-CD1 3.59Å; F206-F224 HydrophobicContact CE2-CD1 3.59Å; F206-F224 HydrophobicContact CE2-CG 4.18Å; F206-F224 AromaticContact CG-CD1 3.76Å; F206-F224 HydrophobicContact CG-CD1 3.76Å; F206-F224 HydrophobicContact CG-CE1 4.15Å; F206-F224 HydrophobicContact CZ-CB 4.06Å; F206-F224 AromaticContact CZ-CD1 3.42Å; F206-F224 HydrophobicContact CZ-CD1 3.42Å; F206-F224 VanDerWaalsContact CZ-CD1 3.42Å; F206-F224 HydrophobicContact CZ-CE1 4.17Å; F206-F224 HydrophobicContact CZ-CG 4.05Å; F206-K227 HydrophobicContact CD2-CB 4.09Å; F206-L228 HydrophobicContact CD2-CD2 4.36Å; F206-L228 HydrophobicContact CE2-CD1 4.46Å; F206-L228 HydrophobicContact CE2-CD2 4.29Å; F206-L228 HydrophobicContact CE2-CG 4.23Å
207M98.6Very high97.8Very high9 Ų949.3 Ų49.34%0.04426%0.258CS..Hα-helixtrans-58.3-48.7177.3-172.4171.8172.100112.3W158 F161 P192 L195 L196 F203 Y204 E205 G209 L210 E211W158-M207 HydrophobicContact CH2-CE 4.3Å; W158-M207 HydrophobicContact CH2-CG 4.01Å; W158-M207 HydrophobicContact CZ3-CG 4.23Å; F161-M207 HydrophobicContact CE1-CB 3.91Å; F161-M207 HydrophobicContact CE1-CG 4.03Å; F161-M207 HydrophobicContact CE1-SD 4.19Å; F161-M207 HydrophobicContact CE2-CB 4.38Å; F161-M207 HydrophobicContact CZ-CB 3.65Å; F161-M207 HydrophobicContact CZ-CG 4.27Å; F161-M207 HydrophobicContact CZ-SD 4.5Å; P192-M207 HydrophobicContact CB-SD 4.07Å; P192-M207 HydrophobicContact CG-CE 4.14Å; P192-M207 HydrophobicContact CG-SD 4.13Å; L195-M207 HydrophobicContact CD2-CE 4.47Å; L195-M207 HydrophobicContact CD2-SD 4.19Å; L196-M207 HydrophobicContact CD1-CB 4.47Å; L196-M207 HydrophobicContact CD1-SD 4.2Å; F203-M207 PolarHBondContact O-N 2.71Å; Y204-M207 PolarHBondContact O-N 3.29Å; E205-M207 PolarHBondContact O-N 3.17Å; M207-G209 PolarHBondContact O-N 3.47Å; M207-L210 WeakPolarHBondContact O-CB 2.99Å; M207-L210 PolarHBondContact O-N 3.08Å; M207-E211 WeakPolarHBondContact O-CG 3.42Å; M207-E211 PolarHBondContact O-N 2.87Å
208E98.3Very high97.8Very high104 Ų10451 Ų5149%0.48626%0.257SS..Hα-helixtrans-59.5-34.9176-71.4179.5-173.900111.9Y204 E205 F206 E211 R212Y204-E208 WeakPolarHBondContact O-CG 3.47Å; Y204-E208 PolarHBondContact O-N 2.8Å; E205-E208 PolarHBondContact O-N 3.44Å; F206-E208 PolarHBondContact O-N 3.44Å; E208-E211 PolarHBondContact O-N 2.8Å; E208-R212 WeakPolarHBondContact O-CG 3.16Å; E208-R212 PolarHBondContact O-N 3.46Å; E208-R212 PolarHBondContact O-NH1 3.42Å; E208-R212 VanDerWaalsContact O-NH1 3.09Å
209G98.5Very high97.8Very high4 Ų445.8 Ų45.84%0.04122%0.223CC..Hα-helixtrans-59.4-45.5172.100000112.6E205 F206 M207 R212E205-G209 PolarHBondContact O-N 2.88Å; F206-G209 WeakPolarHBondContact O-CA 3.31Å; F206-G209 PolarHBondContact O-N 2.98Å; F206-G209 VanDerWaalsContact O-N 3.11Å; M207-G209 PolarHBondContact O-N 3.47Å; G209-R212 PolarHBondContact O-N 2.92Å
210L98.6Very high97.8Very high1 Ų149.9 Ų49.91%0.00525%0.245CC..Hα-helixtrans-66.3-37.9178.6-61.7176.7000112.8L157 W158 F161 F206 M207 R212 L213 F224L157-L210 HydrophobicContact CB-CD2 3.45Å; L157-L210 VanDerWaalsContact CB-CD2 3.45Å; L157-L210 HydrophobicContact CD2-CD2 4.11Å; L157-L210 HydrophobicContact CG-CD2 4.43Å; W158-L210 HydrophobicContact CD2-CB 4.06Å; W158-L210 HydrophobicContact CD2-CD1 3.86Å; W158-L210 HydrophobicContact CE3-CD1 3.79Å; W158-L210 HydrophobicContact CG-CD1 4.31Å; W158-L210 HydrophobicContact CH2-CB 4.11Å; W158-L210 HydrophobicContact CH2-CD1 4.49Å; W158-L210 HydrophobicContact CZ2-CB 3.6Å; W158-L210 HydrophobicContact CZ3-CD1 4.13Å; F161-L210 HydrophobicContact CB-CD1 3.58Å; F161-L210 HydrophobicContact CD1-CD1 4.09Å; F161-L210 HydrophobicContact CD2-CD1 4.42Å; F161-L210 HydrophobicContact CG-CD1 3.78Å; F206-L210 HydrophobicContact CD1-CD1 3.9Å; F206-L210 HydrophobicContact CD1-CD2 4.38Å; F206-L210 HydrophobicContact CD1-CG 3.98Å; F206-L210 HydrophobicContact CE1-CD1 3.96Å; F206-L210 HydrophobicContact CE1-CD2 4Å; F206-L210 HydrophobicContact CE1-CG 4.07Å; F206-L210 WeakPolarHBondContact O-CG 3.44Å; F206-L210 PolarHBondContact O-N 3.42Å; M207-L210 WeakPolarHBondContact O-CB 2.99Å; M207-L210 PolarHBondContact O-N 3.08Å; L210-R212 PolarHBondContact O-N 2.88Å; L210-L213 HydrophobicContact CD2-CD1 4.05Å; L210-L213 WeakPolarHBondContact O-CB 3.36Å; L210-L213 PolarHBondContact O-N 3.35Å; L210-L213 VanDerWaalsContact O-N 3.1Å; L210-F224 HydrophobicContact CD2-CE1 3.67Å; L210-F224 HydrophobicContact CD2-CZ 3.71Å; L210-F224 HydrophobicContact CG-CE1 4Å; L210-F224 HydrophobicContact CG-CZ 4.32Å
211E97.9Very high97.8Very high113 Ų11349.6 Ų49.653%0.52824%0.241SC..Hα-helixtrans-63-25.6178.5-70.5175.5165.900112.8W158 M207 E208W158-E211 HydrophobicContact CH2-CG 3.99Å; W158-E211 HydrophobicContact CZ2-CG 3.88Å; M207-E211 WeakPolarHBondContact O-CG 3.42Å; M207-E211 PolarHBondContact O-N 2.87Å; E208-E211 PolarHBondContact O-N 2.8Å
212R98.1Very high97.9Very high151 Ų15146.2 Ų46.257%0.5724%0.24SC*.THydrogen-bonded Turntrans-80.4-13.5176.4-67-174.2-64.3-93.98.5113.9E208 G209 L210E208-R212 WeakPolarHBondContact O-CG 3.16Å; E208-R212 PolarHBondContact O-N 3.46Å; E208-R212 PolarHBondContact O-NH1 3.42Å; E208-R212 VanDerWaalsContact O-NH1 3.09Å; G209-R212 PolarHBondContact O-N 2.92Å; L210-R212 PolarHBondContact O-N 2.88Å
213L98.3Very high97.9Very high23 Ų2349.4 Ų49.412%0.1225%0.251CS..  trans-79.4132.3-175.6-61175.4000112.3R154 L210 P219 F224R154-L213 HydrophobicContact CB-CB 3.57Å; R154-L213 HydrophobicContact CB-CD1 3.8Å; R154-L213 HydrophobicContact CB-CG 4.35Å; R154-L213 VanDerWaalsContact CD-O 3.3Å; R154-L213 WeakPolarHBondContact CD-O 3.48Å; R154-L213 PolarHBondContact NH1-O 3.09Å; R154-L213 VanDerWaalsContact NH1-O 3.15Å; L210-L213 HydrophobicContact CD2-CD1 4.05Å; L210-L213 WeakPolarHBondContact O-CB 3.36Å; L210-L213 PolarHBondContact O-N 3.35Å; L210-L213 VanDerWaalsContact O-N 3.1Å; L213-P219 HydrophobicContact CD1-CB 4.32Å; L213-P219 HydrophobicContact CD1-CG 4.11Å; L213-P219 HydrophobicContact CD2-CB 4.5Å; L213-F224 HydrophobicContact CD1-CE2 4.28Å; L213-F224 HydrophobicContact CD1-CZ 4.13Å
214T97Very high97.9Very high70 Ų7049.4 Ų49.443%0.42925%0.251SS..  trans-100.7172.8174.270.40000111.5T216 S217T214-T216 PolarHBondContact O-N 3.28Å; T214-S217 PolarHBondContact N-OG 3.49Å; T214-S217 WeakPolarHBondContact O-CB 3.27Å; T214-S217 PolarHBondContact O-N 3.11Å; T214-S217 VanDerWaalsContact O-N 3.08Å; T214-S217 PolarHBondContact O-OG 3.45Å; T214-S217 PolarHBondContact OG1-OG 2.83Å
215Y96.1Very high97.9Very high24 Ų2448.6 Ų48.69%0.09425%0.249CC..THydrogen-bonded Turntrans-53.8-38.8177.6177.3-101.6000113.5N126 P128 E150 S152N126-Y215 PolarHBondContact O-OH 3.39Å; P128-Y215 HydrophobicContact CB-CD1 4.03Å; P128-Y215 HydrophobicContact CB-CD2 4.24Å; P128-Y215 HydrophobicContact CB-CE1 3.76Å; P128-Y215 HydrophobicContact CB-CE2 4.01Å; P128-Y215 HydrophobicContact CB-CG 4.27Å; P128-Y215 HydrophobicContact CG-CD1 4.04Å; P128-Y215 HydrophobicContact CG-CE1 3.99Å; E150-Y215 HydrophobicContact CB-CD2 4.36Å; E150-Y215 HydrophobicContact CB-CE2 3.69Å; E150-Y215 HydrophobicContact CG-CE2 3.43Å; E150-Y215 VanDerWaalsContact CG-CE2 3.43Å; E150-Y215 WeakPolarHBondContact CG-OH 3.35Å; E150-Y215 WeakPolarHBondContact O-CD2 3.31Å; S152-Y215 WeakPolarHBondContact CB-O 3.36Å
216T95.3Very high97.9Very high84 Ų8448.3 Ų48.352%0.51525%0.252SS..THydrogen-bonded Turntrans-95.310.1-178.3580000113.3W125 T214W125-T216 HydrophobicContact CE3-CG2 4.31Å; W125-T216 VanDerWaalsContact CH2-C 3.5Å; W125-T216 VanDerWaalsContact CH2-O 3.29Å; W125-T216 WeakPolarHBondContact CH2-O 3.37Å; W125-T216 WeakPolarHBondContact CZ2-O 3.46Å; T214-T216 PolarHBondContact O-N 3.28Å
217S95.4Very high97.9Very high26 Ų2649 Ų4918%0.18226%0.255CS..  trans-75.4131.9179-65.10000110.2T214 P219T214-S217 PolarHBondContact N-OG 3.49Å; T214-S217 WeakPolarHBondContact O-CB 3.27Å; T214-S217 PolarHBondContact O-N 3.11Å; T214-S217 VanDerWaalsContact O-N 3.08Å; T214-S217 PolarHBondContact O-OG 3.45Å; T214-S217 PolarHBondContact OG1-OG 2.83Å; S217-P219 WeakPolarHBondContact O-CD 3.44Å
218I95.8Very high97.9Very high75 Ų7548.8 Ų48.839%0.38525%0.254SS..  trans-88.3113.8156.1-59.7-62.8000106.3M81 F117 M120 W125 Y221M81-I218 HydrophobicContact CE-CG2 4.12Å; F117-I218 HydrophobicContact CE2-CD1 4.16Å; F117-I218 HydrophobicContact CZ-CD1 4.36Å; M120-I218 HydrophobicContact CE-CD1 4.31Å; W125-I218 HydrophobicContact CH2-CD1 3.51Å; W125-I218 HydrophobicContact CH2-CG1 4.07Å; W125-I218 HydrophobicContact CZ2-CD1 3.43Å; W125-I218 VanDerWaalsContact CZ2-CD1 3.43Å; W125-I218 HydrophobicContact CZ2-CG1 3.71Å; I218-Y221 HydrophobicContact CG2-CE2 4.13Å
219P98Very high97.9Very high5 Ų547.2 Ų47.23%0.03225%0.246CC..  trans-54.3145.6175.8-23.930.7000112.5C153 L157 L213 S217 Y221 F224C153-P219 HydrophobicContact CB-CG 3.9Å; L157-P219 HydrophobicContact CD1-CB 4.15Å; L157-P219 HydrophobicContact CD1-CG 3.56Å; L157-P219 HydrophobicContact CD2-CB 3.9Å; L157-P219 HydrophobicContact CD2-CG 4.19Å; L213-P219 HydrophobicContact CD1-CB 4.32Å; L213-P219 HydrophobicContact CD1-CG 4.11Å; L213-P219 HydrophobicContact CD2-CB 4.5Å; S217-P219 WeakPolarHBondContact O-CD 3.44Å; P219-Y221 VanDerWaalsContact C-N 3.32Å; P219-Y221 HydrophobicContact CB-CD1 4.47Å; P219-Y221 HydrophobicContact CB-CD2 4.4Å; P219-Y221 HydrophobicContact CB-CE1 4.12Å; P219-Y221 HydrophobicContact CB-CE2 4.03Å; P219-Y221 WeakPolarHBondContact CD-OH 3.29Å; P219-Y221 HydrophobicContact CG-CE1 4.25Å; P219-Y221 HydrophobicContact CG-CE2 4.34Å; P219-Y221 WeakPolarHBondContact O-CD2 3.35Å; P219-Y221 WeakPolarHBondContact O-CE2 3.49Å; P219-Y221 PolarHBondContact O-N 3.23Å; P219-Y221 VanDerWaalsContact O-N 3.09Å; P219-F224 HydrophobicContact CB-CD2 4.32Å; P219-F224 HydrophobicContact CB-CE2 4.03Å
220D98.3Very high97.9Very high99 Ų9950 Ų5053%0.52926%0.26SS..  trans-79.883.6165.6-174.6-14.7000109A222 W223 F224D220-A222 PolarHBondContact O-N 3.1Å; D220-A222 PolarHBondContact OD1-N 3.26Å; D220-W223 HydrophobicContact CB-CB 3.97Å; D220-W223 VanDerWaalsContact CG-CB 3.45Å; D220-W223 WeakPolarHBondContact O-CB 3.48Å; D220-W223 PolarHBondContact O-N 3.04Å; D220-W223 VanDerWaalsContact O-N 3.14Å; D220-W223 PolarHBondContact OD1-N 2.83Å; D220-F224 WeakPolarHBondContact O-CD2 3.35Å; D220-F224 PolarHBondContact O-N 2.73Å; D220-F224 VanDerWaalsContact O-N 3.1Å
221Y98.7Very high97.9Very high12 Ų1250 Ų505%0.04726%0.26CS..Hα-helixtrans-59.7-34.9-177.8-57.6-91.1000112.2L73 I76 H77 H80 M81 L157 I218 P219 W223 F224 I225L73-Y221 HydrophobicContact CD1-CD1 3.82Å; L73-Y221 HydrophobicContact CD1-CE1 4.44Å; L73-Y221 HydrophobicContact CG-CD1 4.31Å; I76-Y221 HydrophobicContact CG2-CE1 4.5Å; H77-Y221 HydrophobicContact CB-CD1 3.64Å; H77-Y221 HydrophobicContact CB-CD2 4.27Å; H77-Y221 HydrophobicContact CB-CE1 3.97Å; H77-Y221 HydrophobicContact CB-CG 3.81Å; H77-Y221 AromaticContact CD2-CD2 3.32Å; H77-Y221 WeakPolarHBondContact CD2-CD2 3.36Å; H77-Y221 AromaticContact CD2-CE2 3.63Å; H77-Y221 AromaticContact CD2-CG 3.7Å; H77-Y221 AromaticContact CG-CG 3.97Å; H80-Y221 WeakPolarHBondContact CB-OH 3.42Å; H80-Y221 AromaticContact ND1-CE1 3.88Å; H80-Y221 AromaticContact ND1-CZ 3.65Å; H80-Y221 PolarHBondContact ND1-OH 3.15Å; M81-Y221 HydrophobicContact CE-CE2 4.27Å; L157-Y221 HydrophobicContact CD1-CE1 4.07Å; I218-Y221 HydrophobicContact CG2-CE2 4.13Å; P219-Y221 VanDerWaalsContact C-N 3.32Å; P219-Y221 HydrophobicContact CB-CD1 4.47Å; P219-Y221 HydrophobicContact CB-CD2 4.4Å; P219-Y221 HydrophobicContact CB-CE1 4.12Å; P219-Y221 HydrophobicContact CB-CE2 4.03Å; P219-Y221 WeakPolarHBondContact CD-OH 3.29Å; P219-Y221 HydrophobicContact CG-CE1 4.25Å; P219-Y221 HydrophobicContact CG-CE2 4.34Å; P219-Y221 WeakPolarHBondContact O-CD2 3.35Å; P219-Y221 WeakPolarHBondContact O-CE2 3.49Å; P219-Y221 PolarHBondContact O-N 3.23Å; P219-Y221 VanDerWaalsContact O-N 3.09Å; Y221-W223 VanDerWaalsContact C-N 3.3Å; Y221-W223 PolarHBondContact O-N 3.07Å; Y221-F224 PolarHBondContact O-N 2.53Å; Y221-I225 WeakPolarHBondContact O-CB 3.35Å; Y221-I225 VanDerWaalsContact O-CG1 3.24Å; Y221-I225 WeakPolarHBondContact O-CG1 3.41Å; Y221-I225 PolarHBondContact O-N 3.44Å
222A98.6Very high97.8Very high70 Ų7045.3 Ų45.358%0.57924%0.24SC*.Hα-helixtrans-62.1-41.6177.800000110.7D220 I225 S226D220-A222 PolarHBondContact O-N 3.1Å; D220-A222 PolarHBondContact OD1-N 3.26Å; A222-I225 PolarHBondContact O-N 3.36Å; A222-S226 WeakPolarHBondContact O-CB 3.35Å; A222-S226 PolarHBondContact O-N 3.32Å
223W98.8Very high97.8Very high76 Ų7642 Ų4229%0.28824%0.24SC..Hα-helixtrans-65-44174.4-176.887.9000112.8E205 D220 Y221 S226 K227E205-W223 HydrophobicContact CB-CH2 4.42Å; E205-W223 VanDerWaalsContact O-CH2 3.31Å; E205-W223 WeakPolarHBondContact O-CH2 3.23Å; D220-W223 HydrophobicContact CB-CB 3.97Å; D220-W223 VanDerWaalsContact CG-CB 3.45Å; D220-W223 WeakPolarHBondContact O-CB 3.48Å; D220-W223 PolarHBondContact O-N 3.04Å; D220-W223 VanDerWaalsContact O-N 3.14Å; D220-W223 PolarHBondContact OD1-N 2.83Å; Y221-W223 VanDerWaalsContact C-N 3.3Å; Y221-W223 PolarHBondContact O-N 3.07Å; W223-S226 WeakPolarHBondContact O-CB 3.42Å; W223-S226 PolarHBondContact O-N 2.73Å; W223-S226 PolarHBondContact O-OG 2.88Å; W223-S226 VanDerWaalsContact O-OG 3.12Å; W223-K227 HydrophobicContact CD2-CG 4.43Å; W223-K227 HydrophobicContact CE3-CG 4.26Å; W223-K227 HydrophobicContact CH2-CD 4.15Å; W223-K227 HydrophobicContact CH2-CG 4.08Å; W223-K227 HydrophobicContact CZ2-CD 3.92Å; W223-K227 HydrophobicContact CZ2-CG 4.25Å; W223-K227 HydrophobicContact CZ3-CG 4.07Å; W223-K227 PolarHBondContact O-N 3.42Å; W223-K227 VanDerWaalsContact O-N 3.09Å
224F98.8Very high97.8Very high4 Ų446.5 Ų46.52%0.01826%0.262CS..Hα-helixtrans-64.7-39.2176.4-76.5-73.5000112.4L73 L157 F206 L210 L213 P219 D220 Y221 S226 K227 L228L73-F224 HydrophobicContact CD2-CB 3.48Å; L73-F224 VanDerWaalsContact CD2-CB 3.48Å; L157-F224 HydrophobicContact CD2-CD1 4.42Å; L157-F224 HydrophobicContact CD2-CD2 3.67Å; L157-F224 HydrophobicContact CD2-CE1 4.44Å; L157-F224 HydrophobicContact CD2-CE2 3.74Å; L157-F224 HydrophobicContact CD2-CG 4.05Å; L157-F224 HydrophobicContact CD2-CZ 4.13Å; F206-F224 AromaticContact CD1-CD1 3.62Å; F206-F224 HydrophobicContact CD1-CD1 3.62Å; F206-F224 AromaticContact CD1-CE1 3.7Å; F206-F224 HydrophobicContact CD1-CE1 3.7Å; F206-F224 AromaticContact CD2-CD1 3.76Å; F206-F224 HydrophobicContact CD2-CD1 3.76Å; F206-F224 AromaticContact CE1-CD1 3.44Å; F206-F224 HydrophobicContact CE1-CD1 3.44Å; F206-F224 VanDerWaalsContact CE1-CD1 3.44Å; F206-F224 AromaticContact CE1-CE1 3.71Å; F206-F224 HydrophobicContact CE1-CE1 3.71Å; F206-F224 HydrophobicContact CE1-CG 4.41Å; F206-F224 HydrophobicContact CE2-CB 3.87Å; F206-F224 AromaticContact CE2-CD1 3.59Å; F206-F224 HydrophobicContact CE2-CD1 3.59Å; F206-F224 HydrophobicContact CE2-CG 4.18Å; F206-F224 AromaticContact CG-CD1 3.76Å; F206-F224 HydrophobicContact CG-CD1 3.76Å; F206-F224 HydrophobicContact CG-CE1 4.15Å; F206-F224 HydrophobicContact CZ-CB 4.06Å; F206-F224 AromaticContact CZ-CD1 3.42Å; F206-F224 HydrophobicContact CZ-CD1 3.42Å; F206-F224 VanDerWaalsContact CZ-CD1 3.42Å; F206-F224 HydrophobicContact CZ-CE1 4.17Å; F206-F224 HydrophobicContact CZ-CG 4.05Å; L210-F224 HydrophobicContact CD2-CE1 3.67Å; L210-F224 HydrophobicContact CD2-CZ 3.71Å; L210-F224 HydrophobicContact CG-CE1 4Å; L210-F224 HydrophobicContact CG-CZ 4.32Å; L213-F224 HydrophobicContact CD1-CE2 4.28Å; L213-F224 HydrophobicContact CD1-CZ 4.13Å; P219-F224 HydrophobicContact CB-CD2 4.32Å; P219-F224 HydrophobicContact CB-CE2 4.03Å; D220-F224 WeakPolarHBondContact O-CD2 3.35Å; D220-F224 PolarHBondContact O-N 2.73Å; D220-F224 VanDerWaalsContact O-N 3.1Å; Y221-F224 PolarHBondContact O-N 2.53Å; F224-S226 VanDerWaalsContact C-N 3.32Å; F224-K227 WeakPolarHBondContact O-CB 3.43Å; F224-K227 PolarHBondContact O-N 3.31Å; F224-L228 PolarHBondContact O-N 3.05Å
225I98.7Very high97.8Very high26 Ų2646.1 Ų46.113%0.13326%0.259CS..Hα-helixtrans-59.8-45.2171.5-72.2169.8000109.5V70 L73 E74 Y221 A222 K227 L228 E229V70-I225 HydrophobicContact CG1-CG2 4.16Å; V70-I225 HydrophobicContact CG2-CG2 4.29Å; L73-I225 HydrophobicContact CB-CG1 4.48Å; L73-I225 HydrophobicContact CD2-CB 4.45Å; L73-I225 HydrophobicContact CD2-CG1 3.57Å; L73-I225 HydrophobicContact CG-CG1 4.12Å; E74-I225 HydrophobicContact CG-CD1 3.85Å; Y221-I225 WeakPolarHBondContact O-CB 3.35Å; Y221-I225 VanDerWaalsContact O-CG1 3.24Å; Y221-I225 WeakPolarHBondContact O-CG1 3.41Å; Y221-I225 PolarHBondContact O-N 3.44Å; A222-I225 PolarHBondContact O-N 3.36Å; I225-K227 PolarHBondContact O-N 2.67Å; I225-L228 WeakPolarHBondContact O-CA 3.22Å; I225-L228 WeakPolarHBondContact O-CB 3.3Å; I225-L228 PolarHBondContact O-N 3.42Å; I225-E229 HydrophobicContact CG2-CG 4.16Å; I225-E229 PolarHBondContact O-N 3.38Å
226S98.5Very high97.8Very high35 Ų3552.2 Ų52.225%0.24529%0.293CS..Hα-helixtrans-59.5-35.1179.3108.40000112.1A222 W223 F224 L228 E229 D230A222-S226 WeakPolarHBondContact O-CB 3.35Å; A222-S226 PolarHBondContact O-N 3.32Å; W223-S226 WeakPolarHBondContact O-CB 3.42Å; W223-S226 PolarHBondContact O-N 2.73Å; W223-S226 PolarHBondContact O-OG 2.88Å; W223-S226 VanDerWaalsContact O-OG 3.12Å; F224-S226 VanDerWaalsContact C-N 3.32Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.43Å; S226-E229 PolarHBondContact O-N 3.19Å; S226-D230 WeakPolarHBondContact O-CB 3.47Å; S226-D230 PolarHBondContact O-N 3.25Å
227K98.8Very high97.7Very high19 Ų1949.4 Ų49.48%0.08328%0.277CS..Hα-helixtrans-62.2-38.7174.2-62.4-55.598.1-158.20111.9P202 E205 F206 W223 F224 I225 D230 V231P202-K227 HydrophobicContact CB-CB 4.28Å; P202-K227 VanDerWaalsContact CB-O 3.23Å; P202-K227 WeakPolarHBondContact CB-O 3.46Å; E205-K227 HydrophobicContact CB-CD 3.84Å; E205-K227 VanDerWaalsContact OE2-CD 3.28Å; E205-K227 WeakPolarHBondContact OE2-CD 3.45Å; E205-K227 IonicContact OE2-NZ 3.28Å; E205-K227 PolarHBondContact OE2-NZ 3.15Å; F206-K227 HydrophobicContact CD2-CB 4.09Å; W223-K227 HydrophobicContact CD2-CG 4.43Å; W223-K227 HydrophobicContact CE3-CG 4.26Å; W223-K227 HydrophobicContact CH2-CD 4.15Å; W223-K227 HydrophobicContact CH2-CG 4.08Å; W223-K227 HydrophobicContact CZ2-CD 3.92Å; W223-K227 HydrophobicContact CZ2-CG 4.25Å; W223-K227 HydrophobicContact CZ3-CG 4.07Å; W223-K227 PolarHBondContact O-N 3.42Å; W223-K227 VanDerWaalsContact O-N 3.09Å; F224-K227 WeakPolarHBondContact O-CB 3.43Å; F224-K227 PolarHBondContact O-N 3.31Å; I225-K227 PolarHBondContact O-N 2.67Å; K227-D230 IonicContact NZ-OD2 3.96Å; K227-D230 PolarHBondContact NZ-OD2 3.19Å; K227-D230 WeakPolarHBondContact O-CB 3.35Å; K227-D230 PolarHBondContact O-N 3.11Å; K227-V231 WeakPolarHBondContact O-CG2 3.45Å; K227-V231 PolarHBondContact O-N 3.5Å
228L98.7Very high97.7Very high4 Ų450.7 Ų50.72%0.02129%0.286CS..Hα-helixtrans-73.4-36176.3-59.2179000111.7A66 V70 L164 F206 F224 I225 S226 D230 V231 C232A66-L228 HydrophobicContact CB-CB 4.4Å; A66-L228 WeakPolarHBondContact CB-O 3.05Å; V70-L228 HydrophobicContact CG2-CB 3.72Å; V70-L228 HydrophobicContact CG2-CD1 4.04Å; L164-L228 HydrophobicContact CD1-CD1 4.17Å; L164-L228 HydrophobicContact CD1-CD2 3.89Å; F206-L228 HydrophobicContact CD2-CD2 4.36Å; F206-L228 HydrophobicContact CE2-CD1 4.46Å; F206-L228 HydrophobicContact CE2-CD2 4.29Å; F206-L228 HydrophobicContact CE2-CG 4.23Å; F224-L228 PolarHBondContact O-N 3.05Å; I225-L228 WeakPolarHBondContact O-CA 3.22Å; I225-L228 WeakPolarHBondContact O-CB 3.3Å; I225-L228 PolarHBondContact O-N 3.42Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 3.43Å; L228-D230 VanDerWaalsContact C-N 3.32Å; L228-V231 WeakPolarHBondContact O-CB 3.38Å; L228-V231 PolarHBondContact O-N 3.3Å; L228-C232 PolarHBondContact O-N 3.15Å
229E98.3Very high97.4Very high70 Ų7054.3 Ų54.333%0.32730%0.299SS..Hα-helixtrans-65.5-34.6172.4-67.3-175.914200112.2I225 S226 C232 S233 K239I225-E229 HydrophobicContact CG2-CG 4.16Å; I225-E229 PolarHBondContact O-N 3.38Å; S226-E229 PolarHBondContact O-N 3.19Å; E229-C232 PolarHBondContact O-N 3.42Å; E229-S233 PolarHBondContact O-N 3.13Å; E229-S233 PolarHBondContact O-OG 2.74Å; E229-K239 WeakPolarHBondContact OE1-CE 3.29Å; E229-K239 IonicContact OE1-NZ 2.75Å; E229-K239 PolarHBondContact OE1-NZ 3.41Å
230D98.5Very high97.1Very high63 Ų6358.9 Ų58.934%0.33733%0.327SS..Hα-helixtrans-62-44.1171.3-69.7-26.7000110.7P202 S226 K227 L228 C232 S233 M234P202-D230 HydrophobicContact CB-CB 4.29Å; P202-D230 HydrophobicContact CG-CB 3.81Å; S226-D230 WeakPolarHBondContact O-CB 3.47Å; S226-D230 PolarHBondContact O-N 3.25Å; K227-D230 IonicContact NZ-OD2 3.96Å; K227-D230 PolarHBondContact NZ-OD2 3.19Å; K227-D230 WeakPolarHBondContact O-CB 3.35Å; K227-D230 PolarHBondContact O-N 3.11Å; L228-D230 VanDerWaalsContact C-N 3.32Å; D230-C232 VanDerWaalsContact C-N 3.27Å; D230-C232 PolarHBondContact O-N 3.26Å; D230-S233 PolarHBondContact O-N 2.85Å; D230-M234 VanDerWaalsContact O-CG 3.31Å; D230-M234 WeakPolarHBondContact O-CG 3.37Å; D230-M234 PolarHBondContact O-N 3.15Å
231V98.5Very high96.9Very high1 Ų157.1 Ų57.11%0.00632%0.318CS..Hα-helixtrans-57.7-44172.8177.30000110.2L62 A66 P200 P202 F203 K227 L228 S233 M234 V235L62-V231 HydrophobicContact CB-CG1 4.02Å; A66-V231 HydrophobicContact CB-CB 4.14Å; A66-V231 HydrophobicContact CB-CG1 4.07Å; P200-V231 HydrophobicContact CG-CG1 4.3Å; P200-V231 HydrophobicContact CG-CG2 4.12Å; P202-V231 HydrophobicContact CB-CG2 3.73Å; P202-V231 HydrophobicContact CG-CG2 4.02Å; F203-V231 HydrophobicContact CD2-CG2 4.05Å; F203-V231 HydrophobicContact CE2-CG1 4.33Å; F203-V231 HydrophobicContact CE2-CG2 3.87Å; K227-V231 WeakPolarHBondContact O-CG2 3.45Å; K227-V231 PolarHBondContact O-N 3.5Å; L228-V231 WeakPolarHBondContact O-CB 3.38Å; L228-V231 PolarHBondContact O-N 3.3Å; V231-S233 VanDerWaalsContact C-N 3.33Å; V231-S233 PolarHBondContact O-N 3.48Å; V231-M234 PolarHBondContact O-N 3.12Å; V231-V235 PolarHBondContact O-N 3.46Å
232C97.5Very high96.7Very high14 Ų1460.6 Ų60.610%0.09533%0.333CS..Hα-helixtrans-63.6-41.8-180-117.50000112.6L228 E229 D230 M234 V235 N236 C237L228-C232 PolarHBondContact O-N 3.15Å; E229-C232 PolarHBondContact O-N 3.42Å; D230-C232 VanDerWaalsContact C-N 3.27Å; D230-C232 PolarHBondContact O-N 3.26Å; C232-M234 VanDerWaalsContact C-N 3.31Å; C232-M234 PolarHBondContact O-N 3.09Å; C232-V235 CarbonylContact O-C 3.51Å; C232-V235 PolarHBondContact O-N 3.26Å; C232-N236 PolarHBondContact O-N 3.45Å; C232-C237 WeakPolarHBondContact CA-SG 3.31Å; C232-C237 HydrophobicContact CB-CB 4.39Å; C232-C237 WeakPolarHBondContact CB-SG 3.4Å; C232-C237 PolarHBondContact O-N 3.17Å; C232-C237 WeakPolarHBondContact SG-CB 3.47Å; C232-C237 CovalentContact SG-SG 2.06Å; C232-C237 PolarHBondContact SG-SG 3.39Å
233S97.5Very high96.6Very high82 Ų8257.6 Ų57.657%0.57331%0.306SS*.Hα-helixtrans-61.8-39.1176.5-57.80000111.7E229 D230 V231 V235 N236E229-S233 PolarHBondContact O-N 3.13Å; E229-S233 PolarHBondContact O-OG 2.74Å; D230-S233 PolarHBondContact O-N 2.85Å; V231-S233 VanDerWaalsContact C-N 3.33Å; V231-S233 PolarHBondContact O-N 3.48Å; S233-V235 VanDerWaalsContact C-N 3.29Å; S233-V235 PolarHBondContact O-N 3.17Å; S233-N236 PolarHBondContact O-N 3.15Å
234M97.7Very high96.3Very high118 Ų11858 Ų5858%0.58131%0.312SS*.Hα-helixtrans-64.4-31.7177.8-71.9178.568.400113.4P200 P202 D230 V231 C232P200-M234 HydrophobicContact CB-CE 3.62Å; P200-M234 HydrophobicContact CB-SD 3.88Å; P202-M234 HydrophobicContact CG-SD 4.05Å; D230-M234 VanDerWaalsContact O-CG 3.31Å; D230-M234 WeakPolarHBondContact O-CG 3.37Å; D230-M234 PolarHBondContact O-N 3.15Å; V231-M234 PolarHBondContact O-N 3.12Å; C232-M234 VanDerWaalsContact C-N 3.31Å; C232-M234 PolarHBondContact O-N 3.09Å
235V97.1Very high96.1Very high62 Ų6258.9 Ų58.938%0.37632%0.315SS..THydrogen-bonded Turntrans-103.710180-55.20000113.2L62 V231 C232 S233 C237L62-V235 HydrophobicContact CB-CG1 4.05Å; L62-V235 HydrophobicContact CD1-CG1 3.94Å; V231-V235 PolarHBondContact O-N 3.46Å; C232-V235 CarbonylContact O-C 3.51Å; C232-V235 PolarHBondContact O-N 3.26Å; S233-V235 VanDerWaalsContact C-N 3.29Å; S233-V235 PolarHBondContact O-N 3.17Å; V235-C237 VanDerWaalsContact C-N 3.27Å; V235-C237 HydrophobicContact CG2-CB 4.23Å; V235-C237 WeakPolarHBondContact CG2-SG 3.41Å; V235-C237 PolarHBondContact O-N 2.97Å
236N96.2Very high95.7Very high151 Ų15158.3 Ų58.381%0.80731%0.312SS*.THydrogen-bonded Turntrans52.637.2-176.2-61-49.3000114.1C232 S233C232-N236 PolarHBondContact O-N 3.45Å; S233-N236 PolarHBondContact O-N 3.15Å
237C94.1Very high94.6Very high25 Ų2561.1 Ų61.117%0.16932%0.324CS..  trans-84.6140.4171.348.30000113.4G63 C232 V235 D241G63-C237 WeakPolarHBondContact CA-SG 3.25Å; C232-C237 WeakPolarHBondContact CA-SG 3.31Å; C232-C237 HydrophobicContact CB-CB 4.39Å; C232-C237 WeakPolarHBondContact CB-SG 3.4Å; C232-C237 PolarHBondContact O-N 3.17Å; C232-C237 WeakPolarHBondContact SG-CB 3.47Å; C232-C237 CovalentContact SG-SG 2.06Å; C232-C237 PolarHBondContact SG-SG 3.39Å; V235-C237 VanDerWaalsContact C-N 3.27Å; V235-C237 HydrophobicContact CG2-CB 4.23Å; V235-C237 WeakPolarHBondContact CG2-SG 3.41Å; V235-C237 PolarHBondContact O-N 2.97Å; C237-D241 VanDerWaalsContact CA-OD2 3.29Å; C237-D241 WeakPolarHBondContact CA-OD2 3.39Å
238S93.7Very high92.8Very high53 Ų5366.1 Ų66.137%0.37135%0.348SS..  trans-96.6152.5168.41770000111R67 T240 D241R67-S238 VanDerWaalsContact CD-O 3.24Å; R67-S238 WeakPolarHBondContact CD-O 3.32Å; S238-T240 PolarHBondContact O-N 3.43Å; S238-T240 VanDerWaalsContact O-N 3.09Å; S238-T240 PolarHBondContact OG-N 2.97Å; S238-T240 PolarHBondContact OG-OG1 3.15Å; S238-T240 VanDerWaalsContact OG-OG1 3.04Å; S238-D241 WeakPolarHBondContact CB-OD1 3.39Å; S238-D241 PolarHBondContact N-OD2 3.22Å; S238-D241 PolarHBondContact O-N 2.83Å; S238-D241 VanDerWaalsContact O-N 3.17Å
239K90.2Very high90.8Very high151 Ų15171.1 Ų71.166%0.65737%0.371SS*.THydrogen-bonded Turntrans-56.8-24.9172.9-63.7-170.6178.9-169.30112.6E229E229-K239 WeakPolarHBondContact OE1-CE 3.29Å; E229-K239 IonicContact OE1-NZ 2.75Å; E229-K239 PolarHBondContact OE1-NZ 3.41Å
240T91.5Very high88.4Confident101 Ų10174.1 Ų74.162%0.6239%0.385SS*.THydrogen-bonded Turntrans-95.1-2.8-176.4580000114.8R104 S238R104-T240 PolarHBondContact NH1-O 3.16Å; S238-T240 PolarHBondContact O-N 3.43Å; S238-T240 VanDerWaalsContact O-N 3.09Å; S238-T240 PolarHBondContact OG-N 2.97Å; S238-T240 PolarHBondContact OG-OG1 3.15Å; S238-T240 VanDerWaalsContact OG-OG1 3.04Å
241D94.6Very high85.6Confident63 Ų6379.1 Ų79.134%0.33740%0.404SS..PPolyproline II helixtrans-60.6147.5-179.3-69.6-14.8000110.9R67 C237 S238R67-D241 PolarHBondContact NH1-O 2.79Å; C237-D241 VanDerWaalsContact CA-OD2 3.29Å; C237-D241 WeakPolarHBondContact CA-OD2 3.39Å; S238-D241 WeakPolarHBondContact CB-OD1 3.39Å; S238-D241 PolarHBondContact N-OD2 3.22Å; S238-D241 PolarHBondContact O-N 2.83Å; S238-D241 VanDerWaalsContact O-N 3.17Å
242K95Very high82.8Confident85 Ų8589.4 Ų89.437%0.3744%0.444SS..PPolyproline II helixtrans-62144.6173.2-72.6-176.6167-166.30110.1R67 E246 D247 E250R67-K242 PolarHBondContact NH2-O 2.93Å; K242-E246 WeakPolarHBondContact CA-OE1 3.29Å; K242-E246 HydrophobicContact CB-CB 4.29Å; K242-E246 HydrophobicContact CG-CB 4.49Å; K242-D247 VanDerWaalsContact CD-OD1 3.31Å; K242-D247 WeakPolarHBondContact CD-OD1 3.43Å; K242-D247 IonicContact NZ-OD1 2.68Å; K242-D247 PolarHBondContact NZ-OD1 3.4Å; K242-E250 IonicContact NZ-OE1 2.74Å; K242-E250 PolarHBondContact NZ-OE1 2.87Å
243Y95.8Very high80.1Confident6 Ų697.2 Ų97.22%0.02450%0.497CS..PPolyproline II helixtrans-78.5156.9163.3-66.4-69.1000110.7T64 R67 L68 Q71 R104 W245 E246T64-Y243 HydrophobicContact CG2-CD1 3.57Å; T64-Y243 HydrophobicContact CG2-CE1 4.09Å; R67-Y243 HydrophobicContact CB-CE1 4.11Å; R67-Y243 VanDerWaalsContact CZ-CE1 3.48Å; R67-Y243 VanDerWaalsContact NH1-CE1 3.34Å; L68-Y243 HydrophobicContact CD2-CE1 3.92Å; L68-Y243 HydrophobicContact CG-CE1 3.97Å; Q71-Y243 PolarHBondContact NE2-OH 3.33Å; Q71-Y243 VanDerWaalsContact NE2-OH 3.15Å; R104-Y243 HydrophobicContact CB-CE2 4.08Å; R104-Y243 HydrophobicContact CG-CD2 4.24Å; R104-Y243 HydrophobicContact CG-CE2 4.21Å; Y243-W245 VanDerWaalsContact CB-CE2 3.41Å; Y243-W245 AromaticContact CD1-CH2 3.72Å; Y243-W245 HydrophobicContact CD1-CH2 3.72Å; Y243-W245 AromaticContact CD1-CZ2 3.9Å; Y243-W245 HydrophobicContact CD1-CZ2 3.9Å; Y243-W245 HydrophobicContact CD1-CZ3 4.48Å; Y243-W245 HydrophobicContact CD2-CH2 4.35Å; Y243-W245 AromaticContact CD2-CZ2 3.69Å; Y243-W245 HydrophobicContact CD2-CZ2 3.69Å; Y243-W245 HydrophobicContact CE1-CH2 4.4Å; Y243-W245 HydrophobicContact CE2-CZ2 4.42Å; Y243-W245 AromaticContact CG-CE2 3.96Å; Y243-W245 AromaticContact CG-CH2 3.68Å; Y243-W245 HydrophobicContact CG-CH2 3.68Å; Y243-W245 AromaticContact CG-CZ2 3.37Å; Y243-W245 HydrophobicContact CG-CZ2 3.37Å; Y243-W245 HydrophobicContact CG-CZ3 4.48Å; Y243-W245 PolarHBondContact O-N 3.5Å; Y243-W245 VanDerWaalsContact O-N 3.14Å; Y243-E246 PolarHBondContact N-OE1 3.21Å; Y243-E246 WeakPolarHBondContact O-CB 3.48Å; Y243-E246 PolarHBondContact O-N 3.15Å
244E93.3Very high79.2Confident85 Ų8598 Ų9840%0.39749%0.493SS..THydrogen-bonded Turntrans-59.7-28.5-172.7-71.3154.6127.200113.7S61 T64S61-E244 WeakPolarHBondContact CB-OE1 3.31Å; S61-E244 PolarHBondContact N-OE1 3.37Å; S61-E244 PolarHBondContact N-OE2 3.06Å; S61-E244 VanDerWaalsContact N-OE2 3.15Å; T64-E244 VanDerWaalsContact CB-OE2 3.31Å; T64-E244 WeakPolarHBondContact CB-OE2 3.47Å; T64-E244 PolarHBondContact OG1-OE2 2.96Å
245W93.8Very high78.2Confident23 Ų2396.9 Ų96.99%0.08749%0.488CS..THydrogen-bonded Turntrans-83.4-13.5177.555.683.4000114L52 F60 T64 L68 L96 Y243 D247 E248L52-W245 HydrophobicContact CB-CE3 4.17Å; L52-W245 HydrophobicContact CB-CZ3 4.3Å; L52-W245 HydrophobicContact CD1-CD2 4.12Å; L52-W245 HydrophobicContact CD1-CE3 4.34Å; L52-W245 HydrophobicContact CD1-CH2 3.98Å; L52-W245 HydrophobicContact CD1-CZ2 3.72Å; L52-W245 HydrophobicContact CD1-CZ3 4.27Å; L52-W245 HydrophobicContact CD2-CB 4.27Å; L52-W245 HydrophobicContact CD2-CD2 3.78Å; L52-W245 HydrophobicContact CD2-CE3 4.25Å; L52-W245 HydrophobicContact CD2-CG 3.76Å; L52-W245 HydrophobicContact CG-CD2 4.35Å; L52-W245 HydrophobicContact CG-CE3 4.48Å; F60-W245 HydrophobicContact CD1-CZ3 4.2Å; F60-W245 HydrophobicContact CE1-CE3 4.15Å; F60-W245 AromaticContact CE1-CZ3 3.72Å; F60-W245 HydrophobicContact CE1-CZ3 3.72Å; F60-W245 AromaticContact CZ-CZ3 3.91Å; F60-W245 HydrophobicContact CZ-CZ3 3.91Å; T64-W245 HydrophobicContact CG2-CH2 3.89Å; T64-W245 HydrophobicContact CG2-CZ3 3.74Å; L68-W245 HydrophobicContact CD1-CH2 4.02Å; L68-W245 HydrophobicContact CD2-CH2 4.19Å; L68-W245 HydrophobicContact CG-CH2 4.45Å; L96-W245 HydrophobicContact CD1-CZ2 3.87Å; Y243-W245 VanDerWaalsContact CB-CE2 3.41Å; Y243-W245 AromaticContact CD1-CH2 3.72Å; Y243-W245 HydrophobicContact CD1-CH2 3.72Å; Y243-W245 AromaticContact CD1-CZ2 3.9Å; Y243-W245 HydrophobicContact CD1-CZ2 3.9Å; Y243-W245 HydrophobicContact CD1-CZ3 4.48Å; Y243-W245 HydrophobicContact CD2-CH2 4.35Å; Y243-W245 AromaticContact CD2-CZ2 3.69Å; Y243-W245 HydrophobicContact CD2-CZ2 3.69Å; Y243-W245 HydrophobicContact CE1-CH2 4.4Å; Y243-W245 HydrophobicContact CE2-CZ2 4.42Å; Y243-W245 AromaticContact CG-CE2 3.96Å; Y243-W245 AromaticContact CG-CH2 3.68Å; Y243-W245 HydrophobicContact CG-CH2 3.68Å; Y243-W245 AromaticContact CG-CZ2 3.37Å; Y243-W245 HydrophobicContact CG-CZ2 3.37Å; Y243-W245 HydrophobicContact CG-CZ3 4.48Å; Y243-W245 PolarHBondContact O-N 3.5Å; Y243-W245 VanDerWaalsContact O-N 3.14Å; W245-D247 VanDerWaalsContact C-N 3.29Å; W245-D247 PolarHBondContact O-N 3.24Å; W245-E248 PolarHBondContact O-N 3.08Å
246E91.3Very high77.2Confident14 Ų1498.9 Ų98.97%0.06550%0.495CS..Hα-helixtrans-70.3-27.6-179.9-68.4-175.7-119.600112.4Y103 R104 K242 Y243 E248Y103-E246 HydrophobicContact CE2-CG 4.22Å; Y103-E246 WeakPolarHBondContact CE2-OE2 3.28Å; Y103-E246 PolarHBondContact OH-OE2 2.91Å; R104-E246 IonicContact CZ-OE1 3.36Å; R104-E246 IonicContact CZ-OE2 3.52Å; R104-E246 VanDerWaalsContact NE-CD 3.25Å; R104-E246 IonicContact NE-OE1 3.18Å; R104-E246 PolarHBondContact NE-OE1 2.85Å; R104-E246 IonicContact NE-OE2 2.89Å; R104-E246 PolarHBondContact NE-OE2 3.46Å; R104-E246 IonicContact NH2-OE1 2.78Å; R104-E246 IonicContact NH2-OE2 3.57Å; R104-E246 PolarHBondContact NH2-OE2 3.43Å; K242-E246 WeakPolarHBondContact CA-OE1 3.29Å; K242-E246 HydrophobicContact CB-CB 4.29Å; K242-E246 HydrophobicContact CG-CB 4.49Å; Y243-E246 PolarHBondContact N-OE1 3.21Å; Y243-E246 WeakPolarHBondContact O-CB 3.48Å; Y243-E246 PolarHBondContact O-N 3.15Å; E246-E248 PolarHBondContact O-N 2.89Å
247D74.7Confident76Confident94 Ų9495.8 Ų95.850%0.50348%0.476SS..Hα-helixtrans-75-15177.8-66.8-32.8000112.4K242 W245K242-D247 VanDerWaalsContact CD-OD1 3.31Å; K242-D247 WeakPolarHBondContact CD-OD1 3.43Å; K242-D247 IonicContact NZ-OD1 2.68Å; K242-D247 PolarHBondContact NZ-OD1 3.4Å; W245-D247 VanDerWaalsContact C-N 3.29Å; W245-D247 PolarHBondContact O-N 3.24Å
248E61.1Low74.9Confident124 Ų124100.3 Ų100.358%0.57950%0.495SS*.Hα-helixtrans-83.9-29.6178.6-61.9-166.4162.200113.1W245 E246 K251W245-E248 PolarHBondContact O-N 3.08Å; E246-E248 PolarHBondContact O-N 2.89Å; E248-K251 PolarHBondContact O-N 3.3Å
249E56.3Low73.6Confident108 Ų108103.4 Ų103.451%0.50550%0.504SS..Hα-helixtrans-80.9-22.2-174.8-68-173.316900113.7K251 Y252E249-K251 PolarHBondContact O-N 3.28Å; E249-Y252 PolarHBondContact O-N 2.83Å; E249-Y252 VanDerWaalsContact O-N 3.16Å
250E47.8Very low72.5Confident134 Ų134100 Ų10063%0.62649%0.493SS*.THydrogen-bonded Turntrans-63.2-11.3171.5-77.5-178.4-164.200112.9K242 Y252K242-E250 IonicContact NZ-OE1 2.74Å; K242-E250 PolarHBondContact NZ-OE1 2.87Å; E250-Y252 VanDerWaalsContact C-N 3.35Å
251K39Very low71Confident168 Ų16899.9 Ų99.973%0.7348%0.483SS*.THydrogen-bonded Turntrans-80-10.2175.1-72.5-179.6-179166.80114.8E248 E249E248-K251 PolarHBondContact O-N 3.3Å; E249-K251 PolarHBondContact O-N 3.28Å
252Y40.7Very low69Low216 Ų216103 Ų10385%0.84750%0.495SS*.  trans-119.49.1-174.7-65-75.2000114.8E249 E250E249-Y252 PolarHBondContact O-N 2.83Å; E249-Y252 VanDerWaalsContact O-N 3.16Å; E250-Y252 VanDerWaalsContact C-N 3.35Å
253C39.8Very low66.7Low179 Ų179104.6 Ų104.6100%1.20951%0.507SS*.  trans-102.80164.2-67.60000110.3

Retrieved 253 of 253 residues in 1103.9 ms (Link to these results)

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