X2JE15_DROME Loading...

Dynamin

AlphaFold DB , UniProt , Accession X2JE15, Species DROME (Drosophila melanogaster, Fruit fly), Gene shi, Length 881 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
1M45.5Very low63Low147 Ų14748.3 Ų48.372%0.72425%0.254SS*.  0-39.50-75-167.9-93.900110.7S3 L4 T281M1-S3 PolarHBondContact O-N 3.05Å; M1-S3 VanDerWaalsContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 3.34Å; M1-T281 HydrophobicContact CB-CG2 4.19Å; M1-T281 HydrophobicContact CG-CG2 4.15Å
2D53.3Low63.2Low89 Ų8946.1 Ų46.148%0.47624%0.242SC..Hα-helixtrans-62.3-20-179.6-51.3-58.1000116.2T6D2-T6 PolarHBondContact O-OG1 3.27Å; D2-T6 VanDerWaalsContact O-OG1 3.11Å
3S60Low63.5Low61 Ų6147.2 Ų47.243%0.42725%0.248SC..Hα-helixtrans-66.2-39.317854.50000112.9M1 I5 T6 I7M1-S3 PolarHBondContact O-N 3.05Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-I5 VanDerWaalsContact C-N 3.32Å; S3-I5 PolarHBondContact O-N 3.28Å; S3-T6 WeakPolarHBondContact O-CB 3.31Å; S3-T6 PolarHBondContact O-N 3.49Å; S3-I7 VanDerWaalsContact O-CD1 3.26Å; S3-I7 WeakPolarHBondContact O-CD1 3.34Å; S3-I7 VanDerWaalsContact O-CG1 3.31Å; S3-I7 WeakPolarHBondContact O-CG1 3.16Å; S3-I7 PolarHBondContact O-N 3.34Å; S3-I7 VanDerWaalsContact O-N 3.07Å
4L64.1Low63.7Low7 Ų744.9 Ų44.94%0.03724%0.239CC..Hα-helixtrans-64.2-35.1-174.1-77.5174.2000113.2M1 I7 V8 T281 I284 V740 T744M1-L4 PolarHBondContact O-N 3.34Å; L4-I7 HydrophobicContact CD2-CD1 4.42Å; L4-I7 WeakPolarHBondContact O-CB 3.24Å; L4-I7 PolarHBondContact O-N 3.02Å; L4-V8 PolarHBondContact O-N 3.38Å; L4-T281 HydrophobicContact CB-CG2 4.44Å; L4-T281 HydrophobicContact CD1-CG2 3.53Å; L4-I284 HydrophobicContact CB-CG2 4.44Å; L4-I284 HydrophobicContact CD2-CG2 4.44Å; L4-V740 HydrophobicContact CD2-CG1 3.29Å; L4-T744 HydrophobicContact CD1-CG2 4.01Å; L4-T744 HydrophobicContact CG-CG2 4.39Å
5I64.3Low63.6Low2 Ų242.6 Ų42.61%0.0123%0.226CC..Hα-helixtrans-77-37.9-178.9-52.9177.9000110.2S3 I7 V8 N9 N126 N277 L280 I284S3-I5 VanDerWaalsContact C-N 3.32Å; S3-I5 PolarHBondContact O-N 3.28Å; I5-I7 PolarHBondContact O-N 3.1Å; I5-V8 PolarHBondContact O-N 3.23Å; I5-N9 PolarHBondContact O-N 3.48Å; I5-N9 VanDerWaalsContact O-N 3.07Å; I5-N126 HydrophobicContact CB-CB 3.81Å; I5-N126 HydrophobicContact CD1-CB 4.27Å; I5-N126 WeakPolarHBondContact CD1-O 3.21Å; I5-N126 HydrophobicContact CG2-CB 3.6Å; I5-N277 WeakPolarHBondContact CD1-ND2 3.47Å; I5-L280 HydrophobicContact CD1-CD2 4.32Å; I5-I284 HydrophobicContact CG1-CD1 4.15Å
6T67.3Low63.6Low58 Ų5844.6 Ų44.636%0.35624%0.241SC..Hα-helixtrans-59.2-35.4171.6-51.20000111.5D2 S3 N9 K10D2-T6 PolarHBondContact O-OG1 3.27Å; D2-T6 VanDerWaalsContact O-OG1 3.11Å; S3-T6 WeakPolarHBondContact O-CB 3.31Å; S3-T6 PolarHBondContact O-N 3.49Å; T6-N9 PolarHBondContact O-N 3.31Å; T6-K10 WeakPolarHBondContact O-CG 3.2Å; T6-K10 PolarHBondContact O-N 2.98Å
7I67Low63.2Low23 Ų2347.5 Ų47.512%0.11827%0.265CS..Hα-helixtrans-68.6-45.9177-70.7152.2000111.8S3 L4 I5 N9 K10 L11 I736 V740S3-I7 VanDerWaalsContact O-CD1 3.26Å; S3-I7 WeakPolarHBondContact O-CD1 3.34Å; S3-I7 VanDerWaalsContact O-CG1 3.31Å; S3-I7 WeakPolarHBondContact O-CG1 3.16Å; S3-I7 PolarHBondContact O-N 3.34Å; S3-I7 VanDerWaalsContact O-N 3.07Å; L4-I7 HydrophobicContact CD2-CD1 4.42Å; L4-I7 WeakPolarHBondContact O-CB 3.24Å; L4-I7 PolarHBondContact O-N 3.02Å; I5-I7 PolarHBondContact O-N 3.1Å; I7-N9 PolarHBondContact O-N 2.84Å; I7-K10 PolarHBondContact O-N 3.17Å; I7-K10 VanDerWaalsContact O-N 3.13Å; I7-L11 HydrophobicContact CG2-CD1 4.16Å; I7-L11 HydrophobicContact CG2-CG 4.47Å; I7-L11 WeakPolarHBondContact O-CG 3.31Å; I7-L11 PolarHBondContact O-N 2.85Å; I7-I736 HydrophobicContact CG2-CG2 3.94Å; I7-V740 HydrophobicContact CD1-CB 4.06Å; I7-V740 HydrophobicContact CD1-CG1 3.65Å; I7-V740 HydrophobicContact CD1-CG2 3.27Å; I7-V740 HydrophobicContact CG1-CG2 3.97Å; I7-V740 HydrophobicContact CG2-CG2 3.98Å
8V67.1Low62.8Low6 Ų647.7 Ų47.74%0.03627%0.265CS..Hα-helixtrans-58.4-39.8175.7173.30000110.2L4 I5 L11 Q12 L26 I284L4-V8 PolarHBondContact O-N 3.38Å; I5-V8 PolarHBondContact O-N 3.23Å; V8-L11 PolarHBondContact O-N 3.42Å; V8-Q12 WeakPolarHBondContact O-CG 3.27Å; V8-Q12 PolarHBondContact O-N 3.39Å; V8-L26 HydrophobicContact CG1-CB 4.18Å; V8-L26 HydrophobicContact CG1-CD1 4.48Å; V8-L26 HydrophobicContact CG1-CD2 4.42Å; V8-I284 HydrophobicContact CG2-CD1 3.75Å; V8-I284 HydrophobicContact CG2-CG1 3.94Å; V8-I284 HydrophobicContact CG2-CG2 3.85Å
9N67Low62.2Low13 Ų1348.3 Ų48.37%0.0728%0.284CS..Hα-helixtrans-65.4-43.6175.2-67.1-15000112.1I5 T6 I7 L11 Q12 D13I5-N9 PolarHBondContact O-N 3.48Å; I5-N9 VanDerWaalsContact O-N 3.07Å; T6-N9 PolarHBondContact O-N 3.31Å; I7-N9 PolarHBondContact O-N 2.84Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.3Å; N9-Q12 WeakPolarHBondContact O-CB 3.43Å; N9-Q12 PolarHBondContact O-N 2.7Å; N9-D13 PolarHBondContact O-N 3.41Å
10K69.8Low61.8Low122 Ų12246.9 Ų46.953%0.5328%0.276SS..Hα-helixtrans-60.8-38.4173.5-75.9-179.6178.3-173.70112.7T6 I7 D13 A14 I736T6-K10 WeakPolarHBondContact O-CG 3.2Å; T6-K10 PolarHBondContact O-N 2.98Å; I7-K10 PolarHBondContact O-N 3.17Å; I7-K10 VanDerWaalsContact O-N 3.13Å; K10-D13 PolarHBondContact O-N 2.68Å; K10-A14 WeakPolarHBondContact O-CB 3.48Å; K10-A14 PolarHBondContact O-N 3.35Å; K10-I736 HydrophobicContact CB-CG2 4.46Å
11L67.3Low61.2Low3 Ų353.8 Ų53.82%0.01631%0.305CS..Hα-helixtrans-64-48.1173.2-72.2170.9000110.1I7 V8 N9 D13 A14 F15 L26 A733 I736 I737I7-L11 HydrophobicContact CG2-CD1 4.16Å; I7-L11 HydrophobicContact CG2-CG 4.47Å; I7-L11 WeakPolarHBondContact O-CG 3.31Å; I7-L11 PolarHBondContact O-N 2.85Å; V8-L11 PolarHBondContact O-N 3.42Å; N9-L11 VanDerWaalsContact C-N 3.31Å; N9-L11 PolarHBondContact O-N 3.3Å; L11-D13 VanDerWaalsContact C-N 3.27Å; L11-D13 PolarHBondContact O-N 3.49Å; L11-A14 PolarHBondContact O-N 2.96Å; L11-F15 WeakPolarHBondContact O-CD2 3.47Å; L11-F15 PolarHBondContact O-N 3.48Å; L11-L26 HydrophobicContact CB-CD2 4.43Å; L11-L26 HydrophobicContact CD1-CD2 4.43Å; L11-A733 HydrophobicContact CD2-CB 3.86Å; L11-I736 HydrophobicContact CD2-CB 3.86Å; L11-I736 HydrophobicContact CD2-CD1 4.26Å; L11-I736 HydrophobicContact CD2-CG2 3.69Å; L11-I736 HydrophobicContact CG-CG2 3.8Å; L11-I737 HydrophobicContact CD1-CD1 4.37Å; L11-I737 HydrophobicContact CD1-CG1 3.99Å; L11-I737 HydrophobicContact CD2-CG1 4.26Å
12Q66.3Low61.4Low22 Ų2248.3 Ų48.310%0.10328%0.278CS..Hα-helixtrans-55.2-43.7174.9-72.8-177.8-28.700112.2V8 N9 T16 L26V8-Q12 WeakPolarHBondContact O-CG 3.27Å; V8-Q12 PolarHBondContact O-N 3.39Å; N9-Q12 WeakPolarHBondContact O-CB 3.43Å; N9-Q12 PolarHBondContact O-N 2.7Å; Q12-T16 VanDerWaalsContact O-CB 3.3Å; Q12-T16 WeakPolarHBondContact O-CB 3.5Å; Q12-T16 PolarHBondContact O-N 3.43Å; Q12-T16 PolarHBondContact O-OG1 2.89Å; Q12-L26 HydrophobicContact CB-CD1 4.31Å; Q12-L26 HydrophobicContact CG-CD1 3.12Å
13D66.3Low61.5Low60 Ų6052.2 Ų52.232%0.32129%0.293SS..Hα-helixtrans-65.9-43.6178.5-75.5-29000112.7N9 K10 L11 F15 T16 S17 R118N9-D13 PolarHBondContact O-N 3.41Å; K10-D13 PolarHBondContact O-N 2.68Å; L11-D13 VanDerWaalsContact C-N 3.27Å; L11-D13 PolarHBondContact O-N 3.49Å; D13-F15 VanDerWaalsContact C-N 3.33Å; D13-F15 PolarHBondContact O-N 2.8Å; D13-T16 PolarHBondContact O-N 3.34Å; D13-S17 WeakPolarHBondContact O-CB 3.27Å; D13-S17 PolarHBondContact O-N 3.25Å; D13-S17 PolarHBondContact O-OG 2.93Å; D13-R118 IonicContact OD1-CZ 3.55Å; D13-R118 VanDerWaalsContact OD1-CZ 3.3Å; D13-R118 IonicContact OD1-NH1 2.66Å; D13-R118 PolarHBondContact OD1-NH1 2.99Å; D13-R118 VanDerWaalsContact OD1-NH1 3.17Å; D13-R118 IonicContact OD1-NH2 3.63Å; D13-R118 PolarHBondContact OD1-NH2 3.29Å; D13-R118 IonicContact OD2-NH1 3.78Å
14A66.4Low61.4Low15 Ų1550.3 Ų50.312%0.12428%0.278CS..Hα-helixtrans-58.4-44.6178.400000111.5K10 L11 S17 L18 I736K10-A14 WeakPolarHBondContact O-CB 3.48Å; K10-A14 PolarHBondContact O-N 3.35Å; L11-A14 PolarHBondContact O-N 2.96Å; A14-S17 PolarHBondContact O-OG 2.9Å; A14-S17 VanDerWaalsContact O-OG 3.14Å; A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 VanDerWaalsContact O-CD1 3.31Å; A14-L18 WeakPolarHBondContact O-CD1 3.2Å; A14-L18 WeakPolarHBondContact O-CG 3.39Å; A14-L18 PolarHBondContact O-N 3.06Å; A14-I736 HydrophobicContact CB-CD1 4.07Å
15F63.3Low61.4Low11 Ų1152.4 Ų52.45%0.04829%0.289CS..Hα-helixtrans-74.5-36.3178.9-71.7-76.7000113.3L11 D13 V20 M22 L24 L295 A729 A733L11-F15 WeakPolarHBondContact O-CD2 3.47Å; L11-F15 PolarHBondContact O-N 3.48Å; D13-F15 VanDerWaalsContact C-N 3.33Å; D13-F15 PolarHBondContact O-N 2.8Å; F15-V20 PolarHBondContact O-N 3.06Å; F15-M22 HydrophobicContact CD1-CB 4.05Å; F15-M22 HydrophobicContact CD1-SD 4.38Å; F15-M22 HydrophobicContact CE1-CB 4.31Å; F15-M22 HydrophobicContact CE1-SD 3.72Å; F15-M22 HydrophobicContact CZ-SD 4.21Å; F15-L24 HydrophobicContact CB-CD1 4.2Å; F15-L24 HydrophobicContact CD1-CD1 3.56Å; F15-L24 HydrophobicContact CD2-CD1 3.01Å; F15-L24 HydrophobicContact CD2-CG 4.49Å; F15-L24 HydrophobicContact CE1-CD1 3.58Å; F15-L24 HydrophobicContact CE2-CD1 3.06Å; F15-L24 HydrophobicContact CE2-CG 4.4Å; F15-L24 HydrophobicContact CG-CD1 3.29Å; F15-L24 HydrophobicContact CZ-CD1 3.34Å; F15-L295 HydrophobicContact CE1-CD2 4.46Å; F15-L295 HydrophobicContact CZ-CD2 3.81Å; F15-A729 HydrophobicContact CD1-CB 4.19Å; F15-A729 HydrophobicContact CE1-CB 4.01Å; F15-A733 HydrophobicContact CE1-CB 4.41Å; F15-A733 HydrophobicContact CE2-CB 3.36Å; F15-A733 HydrophobicContact CZ-CB 3.24Å
16T62.5Low61.5Low74 Ų7452.8 Ų52.845%0.45429%0.291SS..Hα-helixtrans-71.2-38.4179-53.20000112Q12 D13 G19 L79Q12-T16 VanDerWaalsContact O-CB 3.3Å; Q12-T16 WeakPolarHBondContact O-CB 3.5Å; Q12-T16 PolarHBondContact O-N 3.43Å; Q12-T16 PolarHBondContact O-OG1 2.89Å; D13-T16 PolarHBondContact O-N 3.34Å; T16-G19 PolarHBondContact O-N 3.13Å; T16-L79 HydrophobicContact CG2-CD1 4.43Å; T16-L79 HydrophobicContact CG2-CD2 4.44Å
17S56.8Low61.7Low94 Ų9450.4 Ų50.466%0.65728%0.277SS*.Hα-helixtrans-71.5-30.4179.658.90000113.1D13 A14 G19D13-S17 WeakPolarHBondContact O-CB 3.27Å; D13-S17 PolarHBondContact O-N 3.25Å; D13-S17 PolarHBondContact O-OG 2.93Å; A14-S17 PolarHBondContact O-OG 2.9Å; A14-S17 VanDerWaalsContact O-OG 3.14Å; S17-G19 VanDerWaalsContact C-N 3.27Å; S17-G19 PolarHBondContact O-N 3.47Å
18L57.1Low62.4Low51 Ų5150.7 Ų50.727%0.26728%0.278SS..THydrogen-bonded Turntrans-82.1-2.9178.5-66.5170.8000113.4A14 V20 A729A14-L18 WeakPolarHBondContact O-CB 3.32Å; A14-L18 VanDerWaalsContact O-CD1 3.31Å; A14-L18 WeakPolarHBondContact O-CD1 3.2Å; A14-L18 WeakPolarHBondContact O-CG 3.39Å; A14-L18 PolarHBondContact O-N 3.06Å; L18-V20 HydrophobicContact CB-CG2 3.91Å; L18-V20 WeakPolarHBondContact O-CG2 3.29Å; L18-V20 PolarHBondContact O-N 3.06Å; L18-A729 HydrophobicContact CB-CB 4.37Å; L18-A729 HydrophobicContact CD1-CB 3.36Å; L18-A729 HydrophobicContact CG-CB 4.48Å
19G51.6Low63.4Low60 Ų6050.4 Ų50.462%0.61928%0.276SS*.THydrogen-bonded Turntrans66.220.9178.600000113.3T16 S17T16-G19 PolarHBondContact O-N 3.13Å; S17-G19 VanDerWaalsContact C-N 3.27Å; S17-G19 PolarHBondContact O-N 3.47Å
20V53.8Low64.6Low20 Ų2049.8 Ų49.812%0.12127%0.273CS..  trans-94.7115-174.9179.40000108.5F15 L18 M22 R725 M726 A729F15-V20 PolarHBondContact O-N 3.06Å; L18-V20 HydrophobicContact CB-CG2 3.91Å; L18-V20 WeakPolarHBondContact O-CG2 3.29Å; L18-V20 PolarHBondContact O-N 3.06Å; V20-M22 HydrophobicContact CG1-CB 4.13Å; V20-M22 PolarHBondContact O-N 2.99Å; V20-R725 HydrophobicContact CG2-CB 4.44Å; V20-M726 HydrophobicContact CG1-CE 3.2Å; V20-M726 HydrophobicContact CG1-CG 4.5Å; V20-M726 HydrophobicContact CG1-SD 3.21Å; V20-M726 WeakPolarHBondContact CG1-SD 3.46Å; V20-A729 HydrophobicContact CG2-CB 4.16Å
21H47.9Very low65.8Low191 Ų19144 Ų4488%0.88425%0.247SC*.  trans-73.858.2172.9-76.5-71000111.6Q23H21-Q23 PolarHBondContact O-N 3.25Å
22M50.6Low67.1Low32 Ų3244 Ų4416%0.15825%0.247CC..  trans-83.6112.7168-161.7-177.1164.300108F15 V20 L24 L295 Q298F15-M22 HydrophobicContact CD1-CB 4.05Å; F15-M22 HydrophobicContact CD1-SD 4.38Å; F15-M22 HydrophobicContact CE1-CB 4.31Å; F15-M22 HydrophobicContact CE1-SD 3.72Å; F15-M22 HydrophobicContact CZ-SD 4.21Å; V20-M22 HydrophobicContact CG1-CB 4.13Å; V20-M22 PolarHBondContact O-N 2.99Å; M22-L24 HydrophobicContact CB-CD1 4.2Å; M22-L24 HydrophobicContact CB-CG 4.31Å; M22-L24 HydrophobicContact CE-CD2 3.44Å; M22-L24 VanDerWaalsContact CE-CD2 3.44Å; M22-L24 HydrophobicContact CE-CG 3.89Å; M22-L24 HydrophobicContact CG-CD1 4.21Å; M22-L24 HydrophobicContact CG-CD2 4.47Å; M22-L24 HydrophobicContact CG-CG 3.92Å; M22-L24 PolarHBondContact O-N 3.19Å; M22-L24 HydrophobicContact SD-CD1 3.91Å; M22-L24 HydrophobicContact SD-CD2 3.84Å; M22-L24 HydrophobicContact SD-CG 3.82Å; M22-L295 HydrophobicContact CE-CD2 3.68Å; M22-L295 HydrophobicContact CE-CG 4.45Å; M22-L295 HydrophobicContact SD-CD2 3.77Å; M22-Q298 PolarHBondContact SD-OE1 3.37Å
23Q55.2Low68.3Low171 Ų17142.9 Ų42.980%0.79924%0.242SC*.  trans-69.780.1170.7-71.4-177.2-6.500109.1H21 D25H21-Q23 PolarHBondContact O-N 3.25Å; Q23-D25 PolarHBondContact O-N 2.63Å
24L59Low69.4Low22 Ų2240.8 Ų40.812%0.11523%0.234CC..  trans-82.3118.2171.8-73.1150.9000108.4F15 M22 L26 L291 L295F15-L24 HydrophobicContact CB-CD1 4.2Å; F15-L24 HydrophobicContact CD1-CD1 3.56Å; F15-L24 HydrophobicContact CD2-CD1 3.01Å; F15-L24 HydrophobicContact CD2-CG 4.49Å; F15-L24 HydrophobicContact CE1-CD1 3.58Å; F15-L24 HydrophobicContact CE2-CD1 3.06Å; F15-L24 HydrophobicContact CE2-CG 4.4Å; F15-L24 HydrophobicContact CG-CD1 3.29Å; F15-L24 HydrophobicContact CZ-CD1 3.34Å; M22-L24 HydrophobicContact CB-CD1 4.2Å; M22-L24 HydrophobicContact CB-CG 4.31Å; M22-L24 HydrophobicContact CE-CD2 3.44Å; M22-L24 VanDerWaalsContact CE-CD2 3.44Å; M22-L24 HydrophobicContact CE-CG 3.89Å; M22-L24 HydrophobicContact CG-CD1 4.21Å; M22-L24 HydrophobicContact CG-CD2 4.47Å; M22-L24 HydrophobicContact CG-CG 3.92Å; M22-L24 PolarHBondContact O-N 3.19Å; M22-L24 HydrophobicContact SD-CD1 3.91Å; M22-L24 HydrophobicContact SD-CD2 3.84Å; M22-L24 HydrophobicContact SD-CG 3.82Å; L24-L26 HydrophobicContact CB-CD1 4.45Å; L24-L26 HydrophobicContact CB-CG 4.06Å; L24-L26 PolarHBondContact O-N 3.4Å; L24-L291 HydrophobicContact CD2-CD1 3.49Å; L24-L291 VanDerWaalsContact CD2-CD1 3.49Å; L24-L291 HydrophobicContact CD2-CG 4.41Å; L24-L295 HydrophobicContact CD2-CD1 4.39Å; L24-L295 HydrophobicContact CD2-CD2 4.03Å; L24-L295 HydrophobicContact CD2-CG 4.23Å
25D64.1Low70.4Confident50 Ų5043.3 Ų43.327%0.26724%0.244SC..  trans-75.470.4175.2-66.7-34.7000109.4Q23 K161 T163Q23-D25 PolarHBondContact O-N 2.63Å; D25-K161 VanDerWaalsContact OD1-CD 3.29Å; D25-K161 WeakPolarHBondContact OD1-CD 3.45Å; D25-K161 VanDerWaalsContact OD1-CE 3.27Å; D25-K161 WeakPolarHBondContact OD1-CE 3.44Å; D25-K161 IonicContact OD1-NZ 3.76Å; D25-K161 PolarHBondContact OD1-NZ 3.04Å; D25-T163 VanDerWaalsContact C-OG1 3.3Å; D25-T163 HydrophobicContact CB-CG2 4.16Å; D25-T163 WeakPolarHBondContact CB-OG1 3.35Å; D25-T163 VanDerWaalsContact O-CB 3.23Å; D25-T163 WeakPolarHBondContact O-CB 3.05Å; D25-T163 VanDerWaalsContact O-CG2 3.24Å; D25-T163 WeakPolarHBondContact O-CG2 3.46Å; D25-T163 PolarHBondContact O-OG1 3Å
26L65.8Low71.4Confident11 Ų1146.9 Ų46.96%0.05827%0.27CS..  trans-71.4145.4178.7-67.9168.8000110.5V8 L11 Q12 L24 Q28 L291V8-L26 HydrophobicContact CG1-CB 4.18Å; V8-L26 HydrophobicContact CG1-CD1 4.48Å; V8-L26 HydrophobicContact CG1-CD2 4.42Å; L11-L26 HydrophobicContact CB-CD2 4.43Å; L11-L26 HydrophobicContact CD1-CD2 4.43Å; Q12-L26 HydrophobicContact CB-CD1 4.31Å; Q12-L26 HydrophobicContact CG-CD1 3.12Å; L24-L26 HydrophobicContact CB-CD1 4.45Å; L24-L26 HydrophobicContact CB-CG 4.06Å; L24-L26 PolarHBondContact O-N 3.4Å; L26-Q28 WeakPolarHBondContact O-CG 3.09Å; L26-Q28 PolarHBondContact O-N 3.07Å; L26-L291 HydrophobicContact CD2-CD2 3.7Å
27P70.6Confident72.6Confident7 Ų743.5 Ų43.55%0.04525%0.25CC..  trans-61.7122179.2-25.737.2000111.8T163 L280 I284 T287P27-T163 WeakPolarHBondContact CA-O 3.31Å; P27-L280 HydrophobicContact CB-CD1 4.26Å; P27-I284 HydrophobicContact CB-CB 4.46Å; P27-I284 HydrophobicContact CB-CG1 3.53Å; P27-I284 HydrophobicContact CG-CB 4.32Å; P27-I284 HydrophobicContact CG-CG1 3.78Å; P27-T287 WeakPolarHBondContact CG-OG1 3.1Å
28Q81.6Confident74Confident30 Ų3039.7 Ų39.714%0.1423%0.225CC..EExtended strand (participates in β ladder)trans-140.8159.9-174.4-69.4168.411.600110.1L26 T128 I130 L165L26-Q28 WeakPolarHBondContact O-CG 3.09Å; L26-Q28 PolarHBondContact O-N 3.07Å; Q28-T128 HydrophobicContact CG-CG2 4.32Å; Q28-I130 HydrophobicContact CB-CD1 4.04Å; Q28-I130 HydrophobicContact CB-CG1 4.47Å; Q28-L165 PolarHBondContact O-N 2.97Å
29I89.5Confident75.6Confident0 Ų037.9 Ų37.90%022%0.215CC..EExtended strand (participates in β ladder)trans-109.2115.2174-58.3168.2000108.6T128 L129 I130 L165 L167 L276 L280I29-T128 PolarHBondContact N-O 3.46Å; I29-L129 HydrophobicContact CB-CD2 3.94Å; I29-L129 HydrophobicContact CD1-CD2 4.19Å; I29-L129 HydrophobicContact CG2-CD2 3.87Å; I29-L129 CarbonylContact O-C 3.58Å; I29-L129 WeakPolarHBondContact O-CA 3.37Å; I29-I130 PolarHBondContact O-N 3.01Å; I29-L165 WeakPolarHBondContact CA-O 3.31Å; I29-L165 HydrophobicContact CG1-CB 4.13Å; I29-L165 HydrophobicContact CG1-CD1 4.14Å; I29-L167 HydrophobicContact CG2-CB 3.9Å; I29-L276 HydrophobicContact CD1-CB 4.14Å; I29-L276 HydrophobicContact CD1-CD2 4.33Å; I29-L280 HydrophobicContact CD1-CB 4.28Å; I29-L280 HydrophobicContact CD1-CD2 4.27Å; I29-L280 HydrophobicContact CG1-CD1 4.33Å
30A92.2Very high77.3Confident0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-95.3125.4173.600000110.8L132 F158 I159 C164 L165 L167A30-L132 HydrophobicContact CB-CD1 3.98Å; A30-F158 HydrophobicContact CB-CB 4.5Å; A30-I159 HydrophobicContact CB-CG2 4.04Å; A30-C164 WeakPolarHBondContact CB-SG 3.49Å; A30-L165 PolarHBondContact N-O 2.89Å; A30-L167 PolarHBondContact O-N 3.49Å
31V94Very high78.9Confident0 Ų036.2 Ų36.20%020%0.195CC..EExtended strand (participates in β ladder)trans-88.9114.9177-170.20000109.3K39 L43 L129 I130 L167 V169V31-K39 HydrophobicContact CG1-CB 3.95Å; V31-K39 HydrophobicContact CG1-CD 4.11Å; V31-K39 HydrophobicContact CG1-CG 3.92Å; V31-L43 HydrophobicContact CG2-CD2 4.01Å; V31-L43 HydrophobicContact CG2-CG 4.49Å; V31-L129 HydrophobicContact CG2-CD2 4.49Å; V31-I130 PolarHBondContact N-O 3.24Å; V31-L167 HydrophobicContact CG1-CD2 4.45Å; V31-L167 HydrophobicContact CG2-CB 4.44Å; V31-L167 HydrophobicContact CG2-CD2 4.06Å; V31-V169 HydrophobicContact CG1-CG2 3.64Å
32V94.2Very high80.8Confident2 Ų227.2 Ų27.21%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-119.5136-177.6-175.70000109.4L132 I155 I159 I166 L167 V169 L184V32-L132 HydrophobicContact CG2-CD1 4.09Å; V32-I155 HydrophobicContact CG1-CD1 4.44Å; V32-I155 HydrophobicContact CG1-CG2 4.11Å; V32-I155 HydrophobicContact CG2-CG2 3.93Å; V32-I159 HydrophobicContact CG2-CG2 3.77Å; V32-I166 HydrophobicContact CB-CG2 4.5Å; V32-I166 HydrophobicContact CG2-CG2 4.19Å; V32-L167 PolarHBondContact N-O 2.87Å; V32-V169 PolarHBondContact O-N 3.44Å; V32-L184 HydrophobicContact CG1-CD1 4.08Å
33G92.3Very high82.6Confident0 Ų025.8 Ų25.80%015%0.146CC..  trans175.1158.9177.800000112.9K39 G134 L135G33-K39 PolarHBondContact O-NZ 2.82Å; G33-G134 WeakPolarHBondContact O-CA 3.31Å; G33-L135 PolarHBondContact O-N 3.4Å
34G89.6Confident84.1Confident15 Ų1517.7 Ų17.716%0.15511%0.108CC..BIsolated β-bridgetrans-57.5165.2176.300000113S36 A37 K39G34-S36 PolarHBondContact O-N 2.86Å; G34-A37 VanDerWaalsContact O-CB 3.3Å; G34-A37 WeakPolarHBondContact O-CB 3.22Å; G34-A37 PolarHBondContact O-N 3.35Å; G34-K39 PolarHBondContact O-NZ 3.16Å
35Q86.4Confident85.4Confident68 Ų6817 Ų1732%0.31811%0.105SC..THydrogen-bonded Turntrans-55138.9167.9-166.9-172.30.300110A37 G57 L135 T136Q35-A37 PolarHBondContact O-N 3.41Å; Q35-G57 PolarHBondContact NE2-O 3.17Å; Q35-L135 PolarHBondContact N-O 2.91Å; Q35-T136 HydrophobicContact CB-CG2 4.02Å; Q35-T136 HydrophobicContact CG-CG2 4.3Å; Q35-T136 VanDerWaalsContact OE1-CG2 3.26Å
36S84.8Confident86.2Confident87 Ų8714.9 Ų14.961%0.6089%0.093SC*.THydrogen-bonded Turntrans61.312.9179.3-52.80000116.2G34 G38 K201G34-S36 PolarHBondContact O-N 2.86Å; S36-G38 PolarHBondContact O-N 2.64Å; S36-K201 WeakPolarHBondContact O-CE 3.33Å; S36-K201 PolarHBondContact O-NZ 3.3Å
37A87.4Confident87Confident3 Ų314.5 Ų14.53%0.0259%0.091CC..SBendtrans-67.5-9.2172.400000113.6G34 Q35 V169 T200G34-A37 VanDerWaalsContact O-CB 3.3Å; G34-A37 WeakPolarHBondContact O-CB 3.22Å; G34-A37 PolarHBondContact O-N 3.35Å; Q35-A37 PolarHBondContact O-N 3.41Å; A37-V169 HydrophobicContact CB-CG1 4.29Å; A37-V169 WeakPolarHBondContact O-CG1 3.35Å; A37-T200 WeakPolarHBondContact O-CG2 3.35Å; A37-T200 PolarHBondContact O-OG1 2.8Å
38G86.9Confident87.5Confident13 Ų1315.2 Ų15.213%0.13410%0.1CC..SBendtrans9220.2179.600000115S36 S41 V42S36-G38 PolarHBondContact O-N 2.64Å; G38-S41 PolarHBondContact O-N 3.38Å; G38-V42 WeakPolarHBondContact O-CG2 3.18Å; G38-V42 PolarHBondContact O-N 3.48Å
39K89.6Confident87.5Confident13 Ų1318.1 Ų18.16%0.05711%0.112CC..Hα-helixtrans-52.9-56.1177.4-62.4-172.5-63.3-68.50112.7V31 G33 G34 S41 V42 L43 L132 V169V31-K39 HydrophobicContact CG1-CB 3.95Å; V31-K39 HydrophobicContact CG1-CD 4.11Å; V31-K39 HydrophobicContact CG1-CG 3.92Å; G33-K39 PolarHBondContact O-NZ 2.82Å; G34-K39 PolarHBondContact O-NZ 3.16Å; K39-S41 VanDerWaalsContact C-N 3.29Å; K39-S41 PolarHBondContact O-N 3.18Å; K39-V42 WeakPolarHBondContact O-CB 3.38Å; K39-V42 PolarHBondContact O-N 3.31Å; K39-V42 VanDerWaalsContact O-N 3.12Å; K39-L43 PolarHBondContact O-N 3.45Å; K39-L43 VanDerWaalsContact O-N 3.11Å; K39-L132 VanDerWaalsContact CE-O 3.32Å; K39-L132 WeakPolarHBondContact CE-O 3.35Å; K39-V169 HydrophobicContact CG-CB 4.19Å; K39-V169 HydrophobicContact CG-CG1 4.45Å; K39-V169 HydrophobicContact CG-CG2 4.33Å
40S87.3Confident87.2Confident22 Ų2220 Ų2015%0.15412%0.122CC..Hα-helixtrans-60.9-39.5-179.5-440000111.5V42 L43 E44S40-V42 PolarHBondContact O-N 2.87Å; S40-L43 PolarHBondContact O-N 2.96Å; S40-E44 WeakPolarHBondContact O-CB 3.19Å; S40-E44 VanDerWaalsContact O-CG 3.29Å; S40-E44 WeakPolarHBondContact O-CG 3.5Å; S40-E44 PolarHBondContact O-N 2.96Å
41S87.9Confident87Confident23 Ų2320 Ų2016%0.16112%0.122CC..Hα-helixtrans-63.1-38.1175.8-53.10000113G38 K39 N45 N231G38-S41 PolarHBondContact O-N 3.38Å; K39-S41 VanDerWaalsContact C-N 3.29Å; K39-S41 PolarHBondContact O-N 3.18Å; S41-N45 VanDerWaalsContact O-CB 3.31Å; S41-N45 WeakPolarHBondContact O-CB 3.36Å; S41-N45 PolarHBondContact O-N 3.08Å; S41-N45 PolarHBondContact O-OD1 2.94Å; S41-N231 WeakPolarHBondContact CB-ND2 3.41Å
42V88.5Confident86.8Confident3 Ų320 Ų202%0.01812%0.123CC..Hα-helixtrans-64.5-42.1174.6171.60000110.7G38 K39 S40 N45 F46 V198 T200 V229 L272G38-V42 WeakPolarHBondContact O-CG2 3.18Å; G38-V42 PolarHBondContact O-N 3.48Å; K39-V42 WeakPolarHBondContact O-CB 3.38Å; K39-V42 PolarHBondContact O-N 3.31Å; K39-V42 VanDerWaalsContact O-N 3.12Å; S40-V42 PolarHBondContact O-N 2.87Å; V42-N45 PolarHBondContact O-N 3.18Å; V42-F46 HydrophobicContact CG1-CE1 4.11Å; V42-F46 HydrophobicContact CG1-CE2 3.77Å; V42-F46 HydrophobicContact CG1-CZ 3.49Å; V42-F46 VanDerWaalsContact CG1-CZ 3.49Å; V42-F46 WeakPolarHBondContact O-CD1 3.43Å; V42-F46 WeakPolarHBondContact O-CG 3.15Å; V42-F46 PolarHBondContact O-N 2.87Å; V42-V198 HydrophobicContact CG2-CG1 4.36Å; V42-T200 HydrophobicContact CG2-CG2 4.02Å; V42-V229 HydrophobicContact CG2-CG2 4.1Å; V42-L272 HydrophobicContact CG1-CD2 3.99Å
43L88.1Confident86.3Confident1 Ų120.7 Ų20.71%0.00513%0.127CC..Hα-helixtrans-67.2-42.9177.6-67.9173.8000112.7V31 K39 S40 N45 F46 V47 L52 L129 D131V31-L43 HydrophobicContact CG2-CD2 4.01Å; V31-L43 HydrophobicContact CG2-CG 4.49Å; K39-L43 PolarHBondContact O-N 3.45Å; K39-L43 VanDerWaalsContact O-N 3.11Å; S40-L43 PolarHBondContact O-N 2.96Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.38Å; L43-F46 HydrophobicContact CD2-CD2 4.33Å; L43-F46 WeakPolarHBondContact O-CB 3.39Å; L43-F46 PolarHBondContact O-N 3.28Å; L43-V47 PolarHBondContact O-N 3.15Å; L43-L52 HydrophobicContact CB-CD1 3.86Å; L43-L52 HydrophobicContact CD1-CD1 4.01Å; L43-L129 HydrophobicContact CD2-CB 3.93Å; L43-L129 HydrophobicContact CD2-CD1 3.78Å; L43-L129 HydrophobicContact CD2-CD2 4.2Å; L43-L129 HydrophobicContact CD2-CG 4.19Å; L43-D131 HydrophobicContact CD1-CB 3.52Å
44E87.5Confident85.5Confident1 Ų124.5 Ų24.51%0.00514%0.141CC..Hα-helixtrans-64.5-37.1176.5-71.4168.4140.900111.8S40 F46 V47 G48 K49 F51 L52 R54S40-E44 WeakPolarHBondContact O-CB 3.19Å; S40-E44 VanDerWaalsContact O-CG 3.29Å; S40-E44 WeakPolarHBondContact O-CG 3.5Å; S40-E44 PolarHBondContact O-N 2.96Å; E44-F46 PolarHBondContact O-N 3.29Å; E44-V47 PolarHBondContact O-N 3.47Å; E44-G48 PolarHBondContact O-N 3.05Å; E44-K49 WeakPolarHBondContact CB-O 3.22Å; E44-K49 PolarHBondContact O-N 2.99Å; E44-F51 HydrophobicContact CG-CD1 4.35Å; E44-F51 HydrophobicContact CG-CE1 4.19Å; E44-L52 HydrophobicContact CG-CB 4.37Å; E44-L52 HydrophobicContact CG-CD1 4.18Å; E44-L52 HydrophobicContact CG-CG 4.25Å; E44-L52 PolarHBondContact OE1-N 3.34Å; E44-R54 IonicContact OE1-CZ 3.62Å; E44-R54 IonicContact OE1-NE 3.85Å; E44-R54 IonicContact OE1-NH1 3.79Å; E44-R54 IonicContact OE1-NH2 3.02Å; E44-R54 PolarHBondContact OE1-NH2 3.13Å; E44-R54 IonicContact OE2-CZ 3.29Å; E44-R54 IonicContact OE2-NH1 2.71Å; E44-R54 PolarHBondContact OE2-NH1 3.32Å; E44-R54 VanDerWaalsContact OE2-NH1 3.16Å; E44-R54 IonicContact OE2-NH2 2.65Å; E44-R54 PolarHBondContact OE2-NH2 2.67Å
45N84.6Confident84.6Confident8 Ų826.4 Ų26.44%0.04316%0.161CC..Hα-helixtrans-63.7-25.4172.4-77.5-4.5000112.9S41 V42 L43 N231 T269 Q273S41-N45 VanDerWaalsContact O-CB 3.31Å; S41-N45 WeakPolarHBondContact O-CB 3.36Å; S41-N45 PolarHBondContact O-N 3.08Å; S41-N45 PolarHBondContact O-OD1 2.94Å; V42-N45 PolarHBondContact O-N 3.18Å; L43-N45 VanDerWaalsContact C-N 3.31Å; L43-N45 PolarHBondContact O-N 3.38Å; N45-N231 PolarHBondContact ND2-OD1 3.37Å; N45-T269 HydrophobicContact CB-CG2 3.65Å; N45-Q273 PolarHBondContact O-NE2 3.3Å
46F82.5Confident83.5Confident5 Ų528.8 Ų28.82%0.02219%0.185CC..Hα-helixtrans-75.6-34.4172.9-60.7-22.3000113.4V42 L43 E44 L68 L129 T269 L272 Q273 L276V42-F46 HydrophobicContact CG1-CE1 4.11Å; V42-F46 HydrophobicContact CG1-CE2 3.77Å; V42-F46 HydrophobicContact CG1-CZ 3.49Å; V42-F46 VanDerWaalsContact CG1-CZ 3.49Å; V42-F46 WeakPolarHBondContact O-CD1 3.43Å; V42-F46 WeakPolarHBondContact O-CG 3.15Å; V42-F46 PolarHBondContact O-N 2.87Å; L43-F46 HydrophobicContact CD2-CD2 4.33Å; L43-F46 WeakPolarHBondContact O-CB 3.39Å; L43-F46 PolarHBondContact O-N 3.28Å; E44-F46 PolarHBondContact O-N 3.29Å; F46-L68 HydrophobicContact CB-CD1 4.21Å; F46-L129 HydrophobicContact CD2-CD1 3.79Å; F46-L129 HydrophobicContact CE2-CD1 4.39Å; F46-L129 HydrophobicContact CE2-CD2 4.43Å; F46-T269 HydrophobicContact CD1-CG2 4.04Å; F46-T269 HydrophobicContact CE1-CG2 4.12Å; F46-L272 HydrophobicContact CE1-CB 4.43Å; F46-L272 HydrophobicContact CE1-CD2 3.86Å; F46-L272 HydrophobicContact CE1-CG 3.98Å; F46-L272 HydrophobicContact CZ-CD2 3.58Å; F46-L272 HydrophobicContact CZ-CG 3.76Å; F46-Q273 HydrophobicContact CD1-CG 3.29Å; F46-Q273 HydrophobicContact CE1-CG 3.61Å; F46-Q273 HydrophobicContact CG-CG 4.15Å; F46-L276 HydrophobicContact CE1-CD1 4.49Å; F46-L276 HydrophobicContact CE2-CD1 3.58Å; F46-L276 HydrophobicContact CZ-CD1 3.46Å; F46-L276 VanDerWaalsContact CZ-CD1 3.46Å
47V82.6Confident82.8Confident3 Ų325.6 Ų25.62%0.01817%0.166CC..Hα-helixtrans-85.1-26.1179.3-1780000112.1L43 E44 K49 F51 L66 L68 F89 V119L43-V47 PolarHBondContact O-N 3.15Å; E44-V47 PolarHBondContact O-N 3.47Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 HydrophobicContact CG1-CB 4.3Å; V47-F51 HydrophobicContact CB-CD1 4.17Å; V47-F51 HydrophobicContact CB-CE1 3.6Å; V47-F51 HydrophobicContact CB-CZ 4.47Å; V47-F51 HydrophobicContact CG1-CD1 4.11Å; V47-F51 HydrophobicContact CG1-CE1 3.95Å; V47-F51 HydrophobicContact CG2-CD1 4.33Å; V47-F51 HydrophobicContact CG2-CE1 3.38Å; V47-F51 HydrophobicContact CG2-CZ 3.77Å; V47-L66 HydrophobicContact CG2-CD2 4.36Å; V47-L68 HydrophobicContact CG2-CD1 4.15Å; V47-L68 HydrophobicContact CG2-CD2 3.54Å; V47-F89 HydrophobicContact CG1-CE1 3.8Å; V47-F89 HydrophobicContact CG1-CZ 4.24Å; V47-V119 HydrophobicContact CG1-CG1 4.11Å
48G79.8Confident82Confident22 Ų2226.3 Ų26.323%0.22717%0.169CC..THydrogen-bonded Turntrans81.48-174.500000113.7E44 I243E44-G48 PolarHBondContact O-N 3.05Å; G48-I243 WeakPolarHBondContact O-CG2 3.47Å
49K82.8Confident81.6Confident91 Ų9127.8 Ų27.840%0.39618%0.175SC..SBendtrans-141.4152.6-175.6-61.5-68.6-179.8-177.30110.9E44 V47 F51 F89E44-K49 WeakPolarHBondContact CB-O 3.22Å; E44-K49 PolarHBondContact O-N 2.99Å; V47-K49 VanDerWaalsContact C-N 3.29Å; V47-K49 HydrophobicContact CG1-CB 4.3Å; K49-F51 WeakPolarHBondContact O-CD1 3.43Å; K49-F89 HydrophobicContact CB-CB 4.35Å; K49-F89 HydrophobicContact CB-CD1 4Å; K49-F89 HydrophobicContact CB-CD2 4.04Å; K49-F89 HydrophobicContact CB-CE1 4.25Å; K49-F89 HydrophobicContact CB-CE2 4.31Å; K49-F89 HydrophobicContact CB-CG 3.86Å; K49-F89 HydrophobicContact CB-CZ 4.4Å; K49-F89 HydrophobicContact CD-CD2 4.34Å; K49-F89 HydrophobicContact CG-CD1 4.49Å; K49-F89 HydrophobicContact CG-CD2 3.81Å; K49-F89 HydrophobicContact CG-CE1 4.44Å; K49-F89 HydrophobicContact CG-CE2 3.77Å; K49-F89 HydrophobicContact CG-CG 4.17Å; K49-F89 HydrophobicContact CG-CZ 4.09Å
50D83.3Confident81.3Confident39 Ų3928 Ų2821%0.20918%0.178CC..  trans-86.3111.2172.9-65.9-59.1000109.3R54 R93 R232D50-R54 IonicContact OD1-CZ 3.4Å; D50-R54 IonicContact OD1-NH2 2.65Å; D50-R54 PolarHBondContact OD1-NH2 2.91Å; D50-R93 VanDerWaalsContact C-NH2 3.28Å; D50-R93 VanDerWaalsContact CB-NH2 3.28Å; D50-R93 PolarHBondContact O-NH2 2.76Å; D50-R232 VanDerWaalsContact CG-NH2 3.3Å; D50-R232 IonicContact OD1-CZ 2.92Å; D50-R232 IonicContact OD1-NH1 2.81Å; D50-R232 IonicContact OD1-NH2 2.71Å; D50-R232 PolarHBondContact OD1-NH2 3.3Å; D50-R232 IonicContact OD2-CZ 2.94Å; D50-R232 IonicContact OD2-NH1 3.8Å; D50-R232 PolarHBondContact OD2-NH1 3.42Å; D50-R232 IonicContact OD2-NH2 3.29Å; D50-R232 PolarHBondContact OD2-NH2 3.34Å
51F87.4Confident81.2Confident0 Ų028.5 Ų28.50%018%0.176CC..  trans-141.4-7.1-178.270.7-84.7000113.4E44 V47 K49 L66 F89 I92 R93 I96 L117E44-F51 HydrophobicContact CG-CD1 4.35Å; E44-F51 HydrophobicContact CG-CE1 4.19Å; V47-F51 HydrophobicContact CB-CD1 4.17Å; V47-F51 HydrophobicContact CB-CE1 3.6Å; V47-F51 HydrophobicContact CB-CZ 4.47Å; V47-F51 HydrophobicContact CG1-CD1 4.11Å; V47-F51 HydrophobicContact CG1-CE1 3.95Å; V47-F51 HydrophobicContact CG2-CD1 4.33Å; V47-F51 HydrophobicContact CG2-CE1 3.38Å; V47-F51 HydrophobicContact CG2-CZ 3.77Å; K49-F51 WeakPolarHBondContact O-CD1 3.43Å; F51-L66 HydrophobicContact CE2-CD1 4.04Å; F51-L66 HydrophobicContact CE2-CD2 4.17Å; F51-L66 HydrophobicContact CZ-CD1 4.22Å; F51-L66 HydrophobicContact CZ-CD2 3.67Å; F51-F89 HydrophobicContact CB-CB 4.07Å; F51-F89 HydrophobicContact CB-CD1 3.71Å; F51-F89 HydrophobicContact CB-CG 4.38Å; F51-F89 HydrophobicContact CD1-CD1 4.38Å; F51-F89 HydrophobicContact CG-CD1 4.19Å; F51-I92 HydrophobicContact CB-CG2 4.33Å; F51-I92 HydrophobicContact CD2-CG2 4.29Å; F51-R93 WeakPolarHBondContact O-CA 3.45Å; F51-R93 WeakPolarHBondContact O-CB 3.3Å; F51-I96 HydrophobicContact CD2-CD1 4.35Å; F51-L117 HydrophobicContact CD2-CD2 4.18Å; F51-L117 HydrophobicContact CE2-CD2 4.18Å
52L88.5Confident81.3Confident2 Ų227.9 Ų27.91%0.0117%0.171CC..SBendtrans-86.9147.7174.4-65.3176.2000109.3L43 E44 L64 R93 I96L43-L52 HydrophobicContact CB-CD1 3.86Å; L43-L52 HydrophobicContact CD1-CD1 4.01Å; E44-L52 HydrophobicContact CG-CB 4.37Å; E44-L52 HydrophobicContact CG-CD1 4.18Å; E44-L52 HydrophobicContact CG-CG 4.25Å; E44-L52 PolarHBondContact OE1-N 3.34Å; L52-L64 HydrophobicContact CD2-CD2 3.33Å; L52-R93 WeakPolarHBondContact O-CD 3.26Å; L52-R93 PolarHBondContact O-NE 2.65Å; L52-I96 HydrophobicContact CD2-CD1 4.42Å
53P84Confident81.4Confident16 Ų1627.8 Ų27.810%0.10417%0.17CC..  trans-55.4152.9173.7-26.135.9000111.1V59 I96 E97P53-V59 VanDerWaalsContact C-CG1 3.44Å; P53-V59 HydrophobicContact CB-CG1 3.85Å; P53-V59 WeakPolarHBondContact O-CG1 3.47Å; P53-I96 HydrophobicContact CG-CB 4.31Å; P53-I96 HydrophobicContact CG-CG2 3.78Å; P53-E97 HydrophobicContact CB-CG 3.82Å; P53-E97 WeakPolarHBondContact CB-OE1 3.39Å; P53-E97 HydrophobicContact CG-CG 3.67Å
54R76.8Confident81.5Confident79 Ų7928 Ų2830%0.29817%0.171SC..  trans-134.9135.1174.3-62.4-172.7-175.1-75.17.4109.6E44 D50E44-R54 IonicContact OE1-CZ 3.62Å; E44-R54 IonicContact OE1-NE 3.85Å; E44-R54 IonicContact OE1-NH1 3.79Å; E44-R54 IonicContact OE1-NH2 3.02Å; E44-R54 PolarHBondContact OE1-NH2 3.13Å; E44-R54 IonicContact OE2-CZ 3.29Å; E44-R54 IonicContact OE2-NH1 2.71Å; E44-R54 PolarHBondContact OE2-NH1 3.32Å; E44-R54 VanDerWaalsContact OE2-NH1 3.16Å; E44-R54 IonicContact OE2-NH2 2.65Å; E44-R54 PolarHBondContact OE2-NH2 2.67Å; D50-R54 IonicContact OD1-CZ 3.4Å; D50-R54 IonicContact OD1-NH2 2.65Å; D50-R54 PolarHBondContact OD1-NH2 2.91Å
55G70.3Confident81.6Confident56 Ų5628.8 Ų28.858%0.57718%0.175SC*.  trans179.8172.1178.200000113.7V59G55-V59 WeakPolarHBondContact O-CG2 3.28Å
56S64.1Low81.8Confident118 Ų11828.5 Ų28.583%0.82517%0.174SC*.SBendtrans-79126.8171.957.80000110.7
57G69.3Low81.9Confident19 Ų1928.8 Ų28.820%0.19618%0.175CC..SBendtrans110.3-161.3-177.400000113Q35 V59Q35-G57 PolarHBondContact NE2-O 3.17Å; G57-V59 PolarHBondContact O-N 3.31Å; G57-V59 VanDerWaalsContact O-N 3.15Å
58I71.2Confident82Confident18 Ų1828.7 Ų28.79%0.09217%0.174CC..  trans-73.2104.7174.8-59176.8000107.9T60 R61 P133 T136 Q143 I147 I151I58-T60 WeakPolarHBondContact CG2-O 3.49Å; I58-R61 HydrophobicContact CB-CG 4.45Å; I58-R61 HydrophobicContact CG2-CG 4Å; I58-R61 WeakPolarHBondContact O-CG 3.34Å; I58-P133 HydrophobicContact CG2-CB 4.5Å; I58-T136 HydrophobicContact CD1-CG2 4.08Å; I58-T136 HydrophobicContact CG1-CG2 3.71Å; I58-Q143 VanDerWaalsContact CD1-NE2 3.3Å; I58-I147 HydrophobicContact CD1-CD1 4.47Å; I58-I147 HydrophobicContact CD1-CG1 3.99Å; I58-I151 HydrophobicContact CD1-CD1 3.72Å
59V77.4Confident82.1Confident44 Ų4429 Ų2927%0.26717%0.171SC..SBendtrans-75.9-54-178.9-179.80000110.5P53 G55 G57 R61P53-V59 VanDerWaalsContact C-CG1 3.44Å; P53-V59 HydrophobicContact CB-CG1 3.85Å; P53-V59 WeakPolarHBondContact O-CG1 3.47Å; G55-V59 WeakPolarHBondContact O-CG2 3.28Å; G57-V59 PolarHBondContact O-N 3.31Å; G57-V59 VanDerWaalsContact O-N 3.15Å; V59-R61 PolarHBondContact O-N 3.44Å
60T83.1Confident82.1Confident17 Ų1728.7 Ų28.710%0.10417%0.173CC..  trans-84.1101.1173.9-49.40000109.4I58 R62 D131 P133I58-T60 WeakPolarHBondContact CG2-O 3.49Å; T60-R62 WeakPolarHBondContact CG2-O 3.38Å; T60-D131 HydrophobicContact CG2-CB 4.47Å; T60-D131 WeakPolarHBondContact CG2-OD2 3.38Å; T60-D131 PolarHBondContact OG1-OD2 3Å; T60-P133 VanDerWaalsContact O-CA 3.3Å; T60-P133 WeakPolarHBondContact O-CA 3.39Å; T60-P133 WeakPolarHBondContact O-CB 3.47Å; T60-P133 WeakPolarHBondContact O-CG 3.27Å
61R86.8Confident82Confident34 Ų3427.7 Ų27.713%0.12817%0.172CC..  trans-96.6-12.5-179.8-69.6178.8-75161.1-6.6114.4I58 V59 T100 D101 T104 G105 G109 I110 S111I58-R61 HydrophobicContact CB-CG 4.45Å; I58-R61 HydrophobicContact CG2-CG 4Å; I58-R61 WeakPolarHBondContact O-CG 3.34Å; V59-R61 PolarHBondContact O-N 3.44Å; R61-T100 HydrophobicContact CB-CG2 3.81Å; R61-D101 IonicContact CZ-OD1 3.45Å; R61-D101 IonicContact NH1-OD1 2.66Å; R61-D101 PolarHBondContact NH1-OD1 3.18Å; R61-D101 IonicContact NH2-OD1 3.67Å; R61-D101 PolarHBondContact NH2-OD1 2.89Å; R61-D101 IonicContact NH2-OD2 3.72Å; R61-T104 PolarHBondContact NH1-OG1 2.91Å; R61-G105 PolarHBondContact NH1-O 3.31Å; R61-G109 WeakPolarHBondContact CD-O 3.28Å; R61-I110 HydrophobicContact CB-CG2 4.36Å; R61-I110 VanDerWaalsContact O-CA 3.27Å; R61-I110 WeakPolarHBondContact O-CA 3.45Å; R61-I110 WeakPolarHBondContact O-CB 3.48Å; R61-S111 PolarHBondContact O-N 3.37Å; R61-S111 VanDerWaalsContact O-N 3.11Å
62R88.9Confident81.7Confident10 Ų1034.4 Ų34.44%0.03821%0.213CC..SBendtrans-132.3145.8175.8-70.1175.865.6-169.5-5.9108.9T60 L64 E99 T100 V103 T104 I113 P114 I115T60-R62 WeakPolarHBondContact CG2-O 3.38Å; R62-L64 PolarHBondContact O-N 3.01Å; R62-E99 IonicContact CZ-OE1 2.7Å; R62-E99 PolarHBondContact NH1-O 2.96Å; R62-E99 IonicContact NH1-OE1 3.95Å; R62-E99 PolarHBondContact NH1-OE1 3.47Å; R62-E99 IonicContact NH2-OE1 3.57Å; R62-T100 HydrophobicContact CG-CG2 4.28Å; R62-V103 VanDerWaalsContact NH1-CG2 3.29Å; R62-T104 HydrophobicContact CG-CG2 4.06Å; R62-I113 PolarHBondContact NE-O 3.25Å; R62-I113 PolarHBondContact NH2-O 3.09Å; R62-P114 PolarHBondContact NH2-O 3.04Å; R62-I115 HydrophobicContact CB-CD1 4.36Å; R62-I115 HydrophobicContact CB-CG1 4.46Å
63P90.3Very high81.5Confident0 Ų038.5 Ų38.50%024%0.238CC..  trans-57.3130.3171.5-23.934.2000110.7S111 P114 I115 I130 D131 L132 M154 F158P63-S111 WeakPolarHBondContact CD-O 3.25Å; P63-P114 HydrophobicContact CB-CB 4.19Å; P63-P114 CarbonylContact O-C 3.54Å; P63-P114 WeakPolarHBondContact O-CA 3.5Å; P63-I115 PolarHBondContact O-N 3.12Å; P63-I130 HydrophobicContact CB-CG2 4.49Å; P63-D131 WeakPolarHBondContact CA-O 3.17Å; P63-L132 HydrophobicContact CB-CD2 4.04Å; P63-L132 HydrophobicContact CG-CD2 4.29Å; P63-M154 HydrophobicContact CG-CG 4Å; P63-M154 HydrophobicContact CG-SD 3.54Å; P63-M154 VanDerWaalsContact CG-SD 3.54Å; P63-F158 HydrophobicContact CB-CE2 4.04Å; P63-F158 HydrophobicContact CB-CZ 3.93Å; P63-F158 HydrophobicContact CG-CE2 3.87Å; P63-F158 HydrophobicContact CG-CZ 4.11Å
64L91.3Very high81.8Confident5 Ų541 Ų413%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-108.1112.4175.2-179.370.5000109L52 R62 L66 I96 I115 L117 I130 D131L52-L64 HydrophobicContact CD2-CD2 3.33Å; R62-L64 PolarHBondContact O-N 3.01Å; L64-L66 PolarHBondContact O-N 3.36Å; L64-I96 HydrophobicContact CD2-CD1 4.25Å; L64-I115 HydrophobicContact CD1-CB 3.8Å; L64-I115 HydrophobicContact CD1-CG2 3.78Å; L64-L117 HydrophobicContact CD1-CB 4.21Å; L64-I130 CarbonylContact O-C 3.48Å; L64-I130 WeakPolarHBondContact O-CA 3.44Å; L64-D131 HydrophobicContact CB-CB 4.13Å; L64-D131 PolarHBondContact N-O 3.41Å; L64-D131 PolarHBondContact O-N 3.26Å
65I88.6Confident82.5Confident19 Ų1938.9 Ų38.910%0.09724%0.24CC..EExtended strand (participates in β ladder)trans-87.4104.2172.4-59.4174.6000107.1P114 I115 N116 L117 T128 I130I65-P114 HydrophobicContact CD1-CB 3.72Å; I65-P114 HydrophobicContact CD1-CG 4Å; I65-P114 HydrophobicContact CG1-CB 4.01Å; I65-I115 PolarHBondContact N-O 3.34Å; I65-N116 WeakPolarHBondContact CB-OD1 3.28Å; I65-N116 WeakPolarHBondContact CD1-OD1 3.48Å; I65-L117 PolarHBondContact O-N 3.45Å; I65-T128 HydrophobicContact CG2-CG2 4.26Å; I65-I130 HydrophobicContact CG1-CG2 4.39Å
66L88.3Confident83.5Confident2 Ų236.2 Ų36.21%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-100.7113.8-178.9-17965.6000109.9V47 F51 L64 L68 L117 V119 T128 L129V47-L66 HydrophobicContact CG2-CD2 4.36Å; F51-L66 HydrophobicContact CE2-CD1 4.04Å; F51-L66 HydrophobicContact CE2-CD2 4.17Å; F51-L66 HydrophobicContact CZ-CD1 4.22Å; F51-L66 HydrophobicContact CZ-CD2 3.67Å; L64-L66 PolarHBondContact O-N 3.36Å; L66-L68 HydrophobicContact CD1-CD2 4Å; L66-L68 HydrophobicContact CD2-CD2 3.92Å; L66-L68 HydrophobicContact CD2-CG 4.4Å; L66-L68 HydrophobicContact CG-CD2 3.77Å; L66-L68 HydrophobicContact CG-CG 4.26Å; L66-L117 HydrophobicContact CD1-CB 4.41Å; L66-L117 HydrophobicContact CD1-CD2 3.88Å; L66-L117 HydrophobicContact CD1-CG 4.03Å; L66-V119 HydrophobicContact CD1-CG2 3.76Å; L66-T128 WeakPolarHBondContact O-CA 3.44Å; L66-L129 HydrophobicContact CB-CB 4.46Å; L66-L129 PolarHBondContact N-O 3.11Å; L66-L129 PolarHBondContact O-N 3.3Å
67Q85.7Confident84.7Confident10 Ų1032.7 Ų32.75%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-101.9103.8174.5-70.1176.6-2700109L117 R118 V119 T128Q67-L117 PolarHBondContact N-O 3.46Å; Q67-R118 HydrophobicContact CB-CG 4.03Å; Q67-R118 CarbonylContact O-C 3.57Å; Q67-R118 WeakPolarHBondContact O-CA 3.28Å; Q67-V119 PolarHBondContact O-N 3.23Å; Q67-T128 HydrophobicContact CG-CG2 4.06Å
68L84.1Confident85.6Confident1 Ų131.9 Ų31.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-83.6126.3171.6-55.9-175.2000108.6F46 V47 L66 V119 V124 L125 N126 L127 L129F46-L68 HydrophobicContact CB-CD1 4.21Å; V47-L68 HydrophobicContact CG2-CD1 4.15Å; V47-L68 HydrophobicContact CG2-CD2 3.54Å; L66-L68 HydrophobicContact CD1-CD2 4Å; L66-L68 HydrophobicContact CD2-CD2 3.92Å; L66-L68 HydrophobicContact CD2-CG 4.4Å; L66-L68 HydrophobicContact CG-CD2 3.77Å; L66-L68 HydrophobicContact CG-CG 4.26Å; L68-V119 HydrophobicContact CD2-CB 3.94Å; L68-V119 HydrophobicContact CD2-CG1 4.49Å; L68-V119 HydrophobicContact CD2-CG2 4.45Å; L68-V124 HydrophobicContact CB-CB 4.21Å; L68-V124 HydrophobicContact CB-CG2 4.05Å; L68-V124 HydrophobicContact CD1-CB 4.43Å; L68-L125 WeakPolarHBondContact CB-O 3.43Å; L68-N126 CarbonylContact O-C 3.54Å; L68-N126 VanDerWaalsContact O-CA 3.26Å; L68-N126 WeakPolarHBondContact O-CA 3.46Å; L68-L127 HydrophobicContact CB-CB 4.37Å; L68-L127 HydrophobicContact CD1-CB 4.49Å; L68-L127 PolarHBondContact N-O 3.37Å; L68-L127 PolarHBondContact O-N 3.03Å; L68-L129 HydrophobicContact CD1-CD1 3.96Å
69I82.7Confident86.2Confident30 Ų3034.1 Ų34.115%0.15419%0.186CC..EExtended strand (participates in β ladder)trans-126.5123.2-178.9-58.3171.9000107.9G71 R118 V119 Y120 S121 N126I69-G71 PolarHBondContact O-N 2.86Å; I69-R118 HydrophobicContact CD1-CG 4.43Å; I69-V119 PolarHBondContact N-O 2.82Å; I69-Y120 HydrophobicContact CB-CD1 3.82Å; I69-Y120 HydrophobicContact CB-CE1 3.96Å; I69-Y120 HydrophobicContact CB-CG 4.45Å; I69-Y120 HydrophobicContact CD1-CD1 4.31Å; I69-Y120 HydrophobicContact CD1-CE1 3.62Å; I69-Y120 HydrophobicContact CD1-CE2 4.38Å; I69-Y120 HydrophobicContact CG1-CE1 4.38Å; I69-Y120 HydrophobicContact CG2-CD1 3.73Å; I69-Y120 HydrophobicContact CG2-CE1 3.75Å; I69-Y120 VanDerWaalsContact O-CA 3.29Å; I69-Y120 WeakPolarHBondContact O-CA 3.34Å; I69-S121 PolarHBondContact O-N 3.3Å; I69-N126 WeakPolarHBondContact CA-OD1 3.32Å
70N81.8Confident86.4Confident84 Ų8435.6 Ų35.645%0.44919%0.19SC..EExtended strand (participates in β ladder)trans-67.9118.3173.1-168.8-31.9000108.8S121 V124 N126N70-S121 WeakPolarHBondContact CA-O 3.28Å; N70-V124 WeakPolarHBondContact CB-O 3.29Å; N70-V124 PolarHBondContact ND2-O 3.35Å; N70-N126 PolarHBondContact N-OD1 3.49Å
71G81Confident86.5Confident17 Ų1737.1 Ų37.118%0.17520%0.197CC..  trans-147.5159.2-176.800000111.9I69 T73 S121 P122I69-G71 PolarHBondContact O-N 2.86Å; G71-T73 VanDerWaalsContact C-N 3.31Å; G71-T73 PolarHBondContact O-N 3.32Å; G71-S121 PolarHBondContact N-O 3.32Å; G71-S121 CarbonylContact O-C 3.57Å; G71-P122 WeakPolarHBondContact O-CA 3.4Å; G71-P122 WeakPolarHBondContact O-CB 3.43Å; G71-P122 WeakPolarHBondContact O-CD 3.34Å
72V81.1Confident86.1Confident142 Ų14243 Ų4386%0.86122%0.224SC*.SBendtrans-70-30.7-176.7-1730000112
73T86.2Confident85.6Confident87 Ų8745.6 Ų45.653%0.53425%0.253SS..SBendtrans-113.5136.2-176.252.70000111.3G71 Y75G71-T73 VanDerWaalsContact C-N 3.31Å; G71-T73 PolarHBondContact O-N 3.32Å; T73-Y75 WeakPolarHBondContact OG1-CE1 3.37Å
74E88.6Confident85.6Confident69 Ų6950.3 Ų50.332%0.32227%0.274SS..  trans-81.8116.8175.9-62.4-157.8136.600112.2Y120 S121 P122 H123E74-Y120 VanDerWaalsContact CA-O 3.22Å; E74-Y120 WeakPolarHBondContact CA-O 3.25Å; E74-S121 WeakPolarHBondContact OE1-CB 3.35Å; E74-S121 PolarHBondContact OE1-OG 3.49Å; E74-P122 VanDerWaalsContact CG-CD 3.47Å; E74-P122 HydrophobicContact CG-CG 4.42Å; E74-H123 IonicContact OE1-CD2 2.84Å; E74-H123 PolarHBondContact OE1-CD2 3.09Å
75Y91.4Very high85.6Confident34 Ų3456.5 Ų56.513%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-162.5158.7170.968.3-84.8000112.2T73 K85 F86 Y120T73-Y75 WeakPolarHBondContact OG1-CE1 3.37Å; Y75-K85 HydrophobicContact CD2-CB 3.97Å; Y75-K85 HydrophobicContact CD2-CD 3.96Å; Y75-K85 HydrophobicContact CD2-CG 3.82Å; Y75-K85 HydrophobicContact CE2-CD 3.97Å; Y75-K85 HydrophobicContact CE2-CG 4Å; Y75-K85 HydrophobicContact CG-CB 4.41Å; Y75-K85 HydrophobicContact CG-CD 4.33Å; Y75-F86 CarbonylContact C-O 3.59Å; Y75-F86 VanDerWaalsContact CA-O 3.31Å; Y75-F86 WeakPolarHBondContact CA-O 3.47Å; Y75-Y120 HydrophobicContact CD1-CD2 4.33Å; Y75-Y120 HydrophobicContact CD1-CG 4.29Å; Y75-Y120 AromaticContact CD2-CD2 3.81Å; Y75-Y120 HydrophobicContact CD2-CD2 3.81Å; Y75-Y120 HydrophobicContact CD2-CE2 4.4Å; Y75-Y120 HydrophobicContact CE1-CD1 4.34Å; Y75-Y120 AromaticContact CE1-CD2 3.82Å; Y75-Y120 HydrophobicContact CE1-CD2 3.82Å; Y75-Y120 AromaticContact CE1-CG 3.67Å; Y75-Y120 HydrophobicContact CE1-CG 3.67Å; Y75-Y120 AromaticContact CE2-CD2 3.21Å; Y75-Y120 HydrophobicContact CE2-CD2 3.21Å; Y75-Y120 AromaticContact CE2-CE2 3.49Å; Y75-Y120 HydrophobicContact CE2-CE2 3.49Å; Y75-Y120 VanDerWaalsContact CE2-CE2 3.49Å; Y75-Y120 AromaticContact CE2-CG 3.97Å; Y75-Y120 HydrophobicContact CE2-CG 3.97Å; Y75-Y120 HydrophobicContact CG-CD2 4.33Å; Y75-Y120 AromaticContact CZ-CD2 3.21Å; Y75-Y120 AromaticContact CZ-CE2 3.6Å; Y75-Y120 AromaticContact CZ-CG 3.48Å; Y75-Y120 VanDerWaalsContact CZ-CG 3.48Å; Y75-Y120 PolarHBondContact N-O 3.3Å; Y75-Y120 PolarHBondContact O-N 3Å; Y75-Y120 WeakPolarHBondContact OH-CD2 3.23Å; Y75-Y120 WeakPolarHBondContact OH-CE2 3.4Å
76G91.1Very high85.8Confident0 Ų055.8 Ų55.80%030%0.297CS..EExtended strand (participates in β ladder)trans-106.2150.9169.800000113.1F86 R118G76-F86 PolarHBondContact N-O 3.06Å; G76-F86 PolarHBondContact O-N 2.91Å; G76-R118 CarbonylContact C-O 3.15Å; G76-R118 WeakPolarHBondContact CA-O 3.48Å
77E90.8Very high85.9Confident45 Ų4560.5 Ų60.521%0.2133%0.33CS..EExtended strand (participates in β ladder)trans-140133.5170.9-177.8174.8-168.600110.4G83 R118E77-G83 PolarHBondContact OE1-N 3.12Å; E77-R118 PolarHBondContact N-O 2.91Å; E77-R118 PolarHBondContact O-N 2.87Å
78F88.4Confident86Confident1 Ų162 Ų620%0.00434%0.341CS..EExtended strand (participates in β ladder)trans-99.9143.3177.1-73.6-84.6000111.7H80 I81 F86 I92 E95 I96 I115 L117F78-H80 VanDerWaalsContact C-N 3.27Å; F78-H80 VanDerWaalsContact CB-CE1 3.45Å; F78-H80 WeakPolarHBondContact CB-CE1 3.28Å; F78-H80 AromaticContact CD1-CE1 3.41Å; F78-H80 VanDerWaalsContact CD1-CE1 3.41Å; F78-H80 WeakPolarHBondContact CD1-CE1 3.4Å; F78-H80 AromaticContact CD1-ND1 3.94Å; F78-H80 AromaticContact CG-CE1 3.52Å; F78-H80 PolarHBondContact O-N 3.46Å; F78-I81 CarbonylContact O-C 3.58Å; F78-I81 PolarHBondContact O-N 3.38Å; F78-F86 AromaticContact CD2-CD2 3.98Å; F78-F86 HydrophobicContact CD2-CD2 3.98Å; F78-F86 AromaticContact CD2-CE2 3.58Å; F78-F86 HydrophobicContact CD2-CE2 3.58Å; F78-F86 AromaticContact CD2-CZ 3.97Å; F78-F86 HydrophobicContact CD2-CZ 3.97Å; F78-F86 HydrophobicContact CE2-CD2 4.3Å; F78-F86 HydrophobicContact CE2-CE2 4.13Å; F78-F86 HydrophobicContact CE2-CZ 4.26Å; F78-I92 HydrophobicContact CE2-CG1 4.48Å; F78-I92 HydrophobicContact CE2-CG2 4.21Å; F78-I92 HydrophobicContact CZ-CG2 3.88Å; F78-E95 HydrophobicContact CD2-CG 3.76Å; F78-E95 HydrophobicContact CE1-CG 4.34Å; F78-E95 HydrophobicContact CE2-CB 3.8Å; F78-E95 HydrophobicContact CE2-CG 3.41Å; F78-E95 VanDerWaalsContact CE2-CG 3.41Å; F78-E95 HydrophobicContact CG-CG 4.36Å; F78-E95 HydrophobicContact CZ-CB 4Å; F78-E95 HydrophobicContact CZ-CG 3.73Å; F78-I96 HydrophobicContact CE1-CG1 3.89Å; F78-I96 HydrophobicContact CZ-CG1 3.8Å; F78-I115 HydrophobicContact CD1-CG2 3.99Å; F78-I115 HydrophobicContact CE1-CG2 3.94Å; F78-L117 HydrophobicContact CD1-CB 4.16Å; F78-L117 HydrophobicContact CD1-CD1 4.09Å; F78-L117 HydrophobicContact CD2-CD1 4.23Å; F78-L117 HydrophobicContact CE1-CB 3.98Å; F78-L117 HydrophobicContact CE1-CD1 3.86Å; F78-L117 HydrophobicContact CE1-CD2 4.34Å; F78-L117 HydrophobicContact CE1-CG 4.27Å; F78-L117 HydrophobicContact CE2-CD1 3.99Å; F78-L117 HydrophobicContact CG-CD1 4.29Å; F78-L117 HydrophobicContact CZ-CD1 3.81Å; F78-L117 HydrophobicContact CZ-CD2 4.34Å; F78-L117 HydrophobicContact CZ-CG 4.49Å
79L82.9Confident86.2Confident65 Ų6562.9 Ų62.934%0.3435%0.345SS..THydrogen-bonded Turntrans-66.1-29.9178.3-172.464.2000113T16 K82 N116T16-L79 HydrophobicContact CG2-CD1 4.43Å; T16-L79 HydrophobicContact CG2-CD2 4.44Å; L79-K82 WeakPolarHBondContact O-CG 3.38Å; L79-N116 HydrophobicContact CB-CB 3.69Å; L79-N116 HydrophobicContact CD2-CB 4.03Å; L79-N116 PolarHBondContact N-O 3.46Å; L79-N116 VanDerWaalsContact N-O 3.14Å
80H81.6Confident86.5Confident75 Ų7566.1 Ų66.135%0.34736%0.363SS..THydrogen-bonded Turntrans-80.8-13.9178.664.1-77.6000113.5F78 E95 E99F78-H80 VanDerWaalsContact C-N 3.27Å; F78-H80 VanDerWaalsContact CB-CE1 3.45Å; F78-H80 WeakPolarHBondContact CB-CE1 3.28Å; F78-H80 AromaticContact CD1-CE1 3.41Å; F78-H80 VanDerWaalsContact CD1-CE1 3.41Å; F78-H80 WeakPolarHBondContact CD1-CE1 3.4Å; F78-H80 AromaticContact CD1-ND1 3.94Å; F78-H80 AromaticContact CG-CE1 3.52Å; F78-H80 PolarHBondContact O-N 3.46Å; H80-E95 IonicContact CD2-OE1 3.23Å; H80-E95 IonicContact CE1-OE1 3.96Å; H80-E95 IonicContact NE2-OE1 3.16Å; H80-E95 PolarHBondContact NE2-OE1 3.45Å; H80-E99 IonicContact CD2-OE2 3.18Å; H80-E99 IonicContact NE2-OE2 3.5Å
81I85.6Confident86.9Confident49 Ų4966.8 Ų66.825%0.25136%0.363SS..SBendtrans-126.669.5175.2-47.8178.8000109.3F78 G83 K84 F86 E95F78-I81 CarbonylContact O-C 3.58Å; F78-I81 PolarHBondContact O-N 3.38Å; I81-G83 PolarHBondContact O-N 3.43Å; I81-K84 HydrophobicContact CG2-CB 3.63Å; I81-K84 HydrophobicContact CG2-CD 4.01Å; I81-K84 HydrophobicContact CG2-CG 4.46Å; I81-K84 PolarHBondContact O-N 3.12Å; I81-F86 HydrophobicContact CD1-CZ 4.21Å; I81-E95 HydrophobicContact CD1-CG 4.44Å; I81-E95 WeakPolarHBondContact CD1-OE1 3.3Å
82K78.1Confident87.4Confident159 Ų15966 Ų6669%0.69136%0.355SS*.THydrogen-bonded Turntrans-59.6131.9-177.4-63.2-173.6179.1-179.70111.3L79 K84L79-K82 WeakPolarHBondContact O-CG 3.38Å; K82-K84 PolarHBondContact O-N 3.32Å
83G78.9Confident87.9Confident64 Ų6461.8 Ų61.866%0.6632%0.323SS*.THydrogen-bonded Turntrans87.1-9.5174.700000115.8E77 I81E77-G83 PolarHBondContact OE1-N 3.12Å; I81-G83 PolarHBondContact O-N 3.43Å
84K90.4Very high88.1Confident98 Ų9863.7 Ų63.743%0.42632%0.324SS..  trans-87.6118171.7-174.1180174.3-170.40109.8I81 K82 F86I81-K84 HydrophobicContact CG2-CB 3.63Å; I81-K84 HydrophobicContact CG2-CD 4.01Å; I81-K84 HydrophobicContact CG2-CG 4.46Å; I81-K84 PolarHBondContact O-N 3.12Å; K82-K84 PolarHBondContact O-N 3.32Å; K84-F86 HydrophobicContact CB-CE2 4.21Å; K84-F86 HydrophobicContact CD-CE1 4.21Å; K84-F86 HydrophobicContact CD-CE2 3.83Å; K84-F86 HydrophobicContact CD-CZ 3.63Å; K84-F86 HydrophobicContact CG-CD2 4.34Å; K84-F86 HydrophobicContact CG-CE2 3.9Å; K84-F86 HydrophobicContact CG-CZ 4.22Å
85K91.5Very high88.4Confident136 Ų13662 Ų6259%0.59132%0.316SS*.  trans-93.4123.2173.9-61.8-174.6-179.3-175.10110Y75Y75-K85 HydrophobicContact CD2-CB 3.97Å; Y75-K85 HydrophobicContact CD2-CD 3.96Å; Y75-K85 HydrophobicContact CD2-CG 3.82Å; Y75-K85 HydrophobicContact CE2-CD 3.97Å; Y75-K85 HydrophobicContact CE2-CG 4Å; Y75-K85 HydrophobicContact CG-CB 4.41Å; Y75-K85 HydrophobicContact CG-CD 4.33Å
86F92.1Very high88.4Confident4 Ų460.8 Ų60.82%0.01831%0.312CS..BIsolated β-bridgetrans-94.8112.4176.6-66.5-101.7000109.2Y75 G76 F78 I81 K84 E91 I92 E95Y75-F86 CarbonylContact C-O 3.59Å; Y75-F86 VanDerWaalsContact CA-O 3.31Å; Y75-F86 WeakPolarHBondContact CA-O 3.47Å; G76-F86 PolarHBondContact N-O 3.06Å; G76-F86 PolarHBondContact O-N 2.91Å; F78-F86 AromaticContact CD2-CD2 3.98Å; F78-F86 HydrophobicContact CD2-CD2 3.98Å; F78-F86 AromaticContact CD2-CE2 3.58Å; F78-F86 HydrophobicContact CD2-CE2 3.58Å; F78-F86 AromaticContact CD2-CZ 3.97Å; F78-F86 HydrophobicContact CD2-CZ 3.97Å; F78-F86 HydrophobicContact CE2-CD2 4.3Å; F78-F86 HydrophobicContact CE2-CE2 4.13Å; F78-F86 HydrophobicContact CE2-CZ 4.26Å; I81-F86 HydrophobicContact CD1-CZ 4.21Å; K84-F86 HydrophobicContact CB-CE2 4.21Å; K84-F86 HydrophobicContact CD-CE1 4.21Å; K84-F86 HydrophobicContact CD-CE2 3.83Å; K84-F86 HydrophobicContact CD-CZ 3.63Å; K84-F86 HydrophobicContact CG-CD2 4.34Å; K84-F86 HydrophobicContact CG-CE2 3.9Å; K84-F86 HydrophobicContact CG-CZ 4.22Å; F86-E91 HydrophobicContact CD1-CB 3.99Å; F86-I92 HydrophobicContact CB-CD1 4.04Å; F86-I92 HydrophobicContact CB-CG1 3.57Å; F86-I92 HydrophobicContact CD1-CG1 4.47Å; F86-I92 HydrophobicContact CG-CG1 4.15Å; F86-E95 HydrophobicContact CE1-CB 4.3Å; F86-E95 HydrophobicContact CE1-CG 4.4Å; F86-E95 HydrophobicContact CZ-CG 4.15Å
87S89.1Confident88.4Confident101 Ų10164 Ų6471%0.70633%0.327SS*.  trans-87.6-20.1176.151.50000113
88S89.4Confident88.3Confident40 Ų4065.8 Ų65.828%0.2834%0.338SS..  trans-101.1124.7178.3178.70000111.2D90 E91 I92S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 2.96Å; S88-D90 PolarHBondContact OG-N 3.09Å; S88-E91 WeakPolarHBondContact O-CB 3.46Å; S88-E91 PolarHBondContact O-N 3.48Å; S88-I92 PolarHBondContact O-N 2.82Å
89F87.4Confident88.4Confident21 Ų2166.3 Ų66.39%0.09234%0.341CS..Hα-helixtrans-72.5-20.8177-75.3-88.3000113.3V47 K49 F51 I92 R93 V119V47-F89 HydrophobicContact CG1-CE1 3.8Å; V47-F89 HydrophobicContact CG1-CZ 4.24Å; K49-F89 HydrophobicContact CB-CB 4.35Å; K49-F89 HydrophobicContact CB-CD1 4Å; K49-F89 HydrophobicContact CB-CD2 4.04Å; K49-F89 HydrophobicContact CB-CE1 4.25Å; K49-F89 HydrophobicContact CB-CE2 4.31Å; K49-F89 HydrophobicContact CB-CG 3.86Å; K49-F89 HydrophobicContact CB-CZ 4.4Å; K49-F89 HydrophobicContact CD-CD2 4.34Å; K49-F89 HydrophobicContact CG-CD1 4.49Å; K49-F89 HydrophobicContact CG-CD2 3.81Å; K49-F89 HydrophobicContact CG-CE1 4.44Å; K49-F89 HydrophobicContact CG-CE2 3.77Å; K49-F89 HydrophobicContact CG-CG 4.17Å; K49-F89 HydrophobicContact CG-CZ 4.09Å; F51-F89 HydrophobicContact CB-CB 4.07Å; F51-F89 HydrophobicContact CB-CD1 3.71Å; F51-F89 HydrophobicContact CB-CG 4.38Å; F51-F89 HydrophobicContact CD1-CD1 4.38Å; F51-F89 HydrophobicContact CG-CD1 4.19Å; F89-I92 HydrophobicContact CD1-CD1 3.87Å; F89-I92 HydrophobicContact CE1-CD1 4.18Å; F89-I92 HydrophobicContact CG-CD1 4.37Å; F89-I92 PolarHBondContact O-N 3.25Å; F89-R93 PolarHBondContact O-N 3.22Å; F89-V119 HydrophobicContact CE1-CG1 3.87Å; F89-V119 HydrophobicContact CZ-CG1 4.03Å
90D88.3Confident88.7Confident98 Ų9863.7 Ų63.752%0.52433%0.327SS..Hα-helixtrans-71.7-33.1170.6-72.1-46000111.3S88 R93 K94S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 2.96Å; S88-D90 PolarHBondContact OG-N 3.09Å; D90-R93 PolarHBondContact O-N 3.28Å; D90-R93 IonicContact OD1-CZ 3.33Å; D90-R93 IonicContact OD1-NH1 3.51Å; D90-R93 PolarHBondContact OD1-NH1 2.64Å; D90-R93 IonicContact OD1-NH2 3.54Å; D90-R93 PolarHBondContact OD1-NH2 3.14Å; D90-K94 WeakPolarHBondContact O-CB 3.46Å; D90-K94 PolarHBondContact O-N 3.2Å
91E91Very high89.1Confident97 Ų9763 Ų6345%0.45333%0.326SS..Hα-helixtrans-68.5-38.9171.2-67.9176.6-166.900111.5F86 S88 R93 K94 E95F86-E91 HydrophobicContact CD1-CB 3.99Å; S88-E91 WeakPolarHBondContact O-CB 3.46Å; S88-E91 PolarHBondContact O-N 3.48Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-K94 PolarHBondContact O-N 3.01Å; E91-E95 VanDerWaalsContact O-CB 3.29Å; E91-E95 WeakPolarHBondContact O-CB 3.45Å; E91-E95 PolarHBondContact O-N 2.79Å
92I92.2Very high89.2Confident0 Ų068.9 Ų68.90%035%0.345CS..Hα-helixtrans-60.6-44.6173.4-65.7173000110.2F51 F78 F86 S88 F89 E95 I96 L117F51-I92 HydrophobicContact CB-CG2 4.33Å; F51-I92 HydrophobicContact CD2-CG2 4.29Å; F78-I92 HydrophobicContact CE2-CG1 4.48Å; F78-I92 HydrophobicContact CE2-CG2 4.21Å; F78-I92 HydrophobicContact CZ-CG2 3.88Å; F86-I92 HydrophobicContact CB-CD1 4.04Å; F86-I92 HydrophobicContact CB-CG1 3.57Å; F86-I92 HydrophobicContact CD1-CG1 4.47Å; F86-I92 HydrophobicContact CG-CG1 4.15Å; S88-I92 PolarHBondContact O-N 2.82Å; F89-I92 HydrophobicContact CD1-CD1 3.87Å; F89-I92 HydrophobicContact CE1-CD1 4.18Å; F89-I92 HydrophobicContact CG-CD1 4.37Å; F89-I92 PolarHBondContact O-N 3.25Å; I92-E95 PolarHBondContact O-N 2.7Å; I92-I96 HydrophobicContact CG2-CD1 4.08Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.41Å; I92-I96 PolarHBondContact O-N 3.24Å; I92-L117 HydrophobicContact CG2-CD1 4.19Å; I92-L117 HydrophobicContact CG2-CD2 3.63Å
93R91.3Very high89.6Confident55 Ų5563.9 Ų63.921%0.20833%0.328CS..Hα-helixtrans-58.6-51.2176.2-173-172-59.3131.615.3111.2D50 F51 L52 F89 D90 E91 E95 I96 E97D50-R93 VanDerWaalsContact C-NH2 3.28Å; D50-R93 VanDerWaalsContact CB-NH2 3.28Å; D50-R93 PolarHBondContact O-NH2 2.76Å; F51-R93 WeakPolarHBondContact O-CA 3.45Å; F51-R93 WeakPolarHBondContact O-CB 3.3Å; L52-R93 WeakPolarHBondContact O-CD 3.26Å; L52-R93 PolarHBondContact O-NE 2.65Å; F89-R93 PolarHBondContact O-N 3.22Å; D90-R93 PolarHBondContact O-N 3.28Å; D90-R93 IonicContact OD1-CZ 3.33Å; D90-R93 IonicContact OD1-NH1 3.51Å; D90-R93 PolarHBondContact OD1-NH1 2.64Å; D90-R93 IonicContact OD1-NH2 3.54Å; D90-R93 PolarHBondContact OD1-NH2 3.14Å; E91-R93 VanDerWaalsContact C-N 3.33Å; R93-E95 VanDerWaalsContact C-N 3.31Å; R93-E95 PolarHBondContact O-N 2.76Å; R93-I96 WeakPolarHBondContact O-CB 3.26Å; R93-I96 PolarHBondContact O-N 2.81Å; R93-I96 VanDerWaalsContact O-N 3.17Å; R93-E97 PolarHBondContact O-N 3.04Å; R93-E97 VanDerWaalsContact O-N 3.1Å
94K90.9Very high89.9Confident127 Ų12762 Ų6255%0.55230%0.304SS*.Hα-helixtrans-60.4-42-179.8-171.3-178.4175.9-1770111.5D90 E91 I96 E97 D98D90-K94 WeakPolarHBondContact O-CB 3.46Å; D90-K94 PolarHBondContact O-N 3.2Å; E91-K94 PolarHBondContact O-N 3.01Å; K94-I96 VanDerWaalsContact C-N 3.34Å; K94-I96 PolarHBondContact O-N 2.95Å; K94-E97 WeakPolarHBondContact O-CB 3.44Å; K94-E97 PolarHBondContact O-N 3.1Å; K94-E97 VanDerWaalsContact O-N 3.17Å; K94-D98 WeakPolarHBondContact O-CB 3.27Å; K94-D98 VanDerWaalsContact O-CG 3.25Å; K94-D98 PolarHBondContact O-N 3.31Å
95E93.7Very high89.4Confident32 Ų3258.9 Ų58.915%0.1530%0.299CS..Hα-helixtrans-63-38.5176.3179.461.3-143.500112.3F78 H80 I81 F86 E91 I92 R93 E97 D98 E99F78-E95 HydrophobicContact CD2-CG 3.76Å; F78-E95 HydrophobicContact CE1-CG 4.34Å; F78-E95 HydrophobicContact CE2-CB 3.8Å; F78-E95 HydrophobicContact CE2-CG 3.41Å; F78-E95 VanDerWaalsContact CE2-CG 3.41Å; F78-E95 HydrophobicContact CG-CG 4.36Å; F78-E95 HydrophobicContact CZ-CB 4Å; F78-E95 HydrophobicContact CZ-CG 3.73Å; H80-E95 IonicContact CD2-OE1 3.23Å; H80-E95 IonicContact CE1-OE1 3.96Å; H80-E95 IonicContact NE2-OE1 3.16Å; H80-E95 PolarHBondContact NE2-OE1 3.45Å; I81-E95 HydrophobicContact CD1-CG 4.44Å; I81-E95 WeakPolarHBondContact CD1-OE1 3.3Å; F86-E95 HydrophobicContact CE1-CB 4.3Å; F86-E95 HydrophobicContact CE1-CG 4.4Å; F86-E95 HydrophobicContact CZ-CG 4.15Å; E91-E95 VanDerWaalsContact O-CB 3.29Å; E91-E95 WeakPolarHBondContact O-CB 3.45Å; E91-E95 PolarHBondContact O-N 2.79Å; I92-E95 PolarHBondContact O-N 2.7Å; R93-E95 VanDerWaalsContact C-N 3.31Å; R93-E95 PolarHBondContact O-N 2.76Å; E95-E97 VanDerWaalsContact C-N 3.31Å; E95-E97 PolarHBondContact O-N 3.25Å; E95-D98 PolarHBondContact O-N 3.46Å; E95-E99 WeakPolarHBondContact O-CB 3.47Å; E95-E99 PolarHBondContact O-N 3.39Å
96I91.8Very high88.5Confident9 Ų957.1 Ų57.15%0.04630%0.304CS..Hα-helixtrans-62.4-41.7174.1-66.9163.2000110.5F51 L52 P53 L64 F78 I92 R93 K94 T100 I115 L117F51-I96 HydrophobicContact CD2-CD1 4.35Å; L52-I96 HydrophobicContact CD2-CD1 4.42Å; P53-I96 HydrophobicContact CG-CB 4.31Å; P53-I96 HydrophobicContact CG-CG2 3.78Å; L64-I96 HydrophobicContact CD2-CD1 4.25Å; F78-I96 HydrophobicContact CE1-CG1 3.89Å; F78-I96 HydrophobicContact CZ-CG1 3.8Å; I92-I96 HydrophobicContact CG2-CD1 4.08Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.41Å; I92-I96 PolarHBondContact O-N 3.24Å; R93-I96 WeakPolarHBondContact O-CB 3.26Å; R93-I96 PolarHBondContact O-N 2.81Å; R93-I96 VanDerWaalsContact O-N 3.17Å; K94-I96 VanDerWaalsContact C-N 3.34Å; K94-I96 PolarHBondContact O-N 2.95Å; I96-T100 WeakPolarHBondContact O-CB 3.49Å; I96-T100 PolarHBondContact O-N 2.62Å; I96-T100 PolarHBondContact O-OG1 2.99Å; I96-I115 HydrophobicContact CG2-CD1 4.42Å; I96-L117 HydrophobicContact CD1-CD2 4.17Å
97E90.3Very high87.4Confident69 Ų6961.7 Ų61.732%0.32233%0.328SS..Hα-helixtrans-64.9-51.9177.2-66.7173.717800110.9P53 R93 K94 E95 E99 T100 D101P53-E97 HydrophobicContact CB-CG 3.82Å; P53-E97 WeakPolarHBondContact CB-OE1 3.39Å; P53-E97 HydrophobicContact CG-CG 3.67Å; R93-E97 PolarHBondContact O-N 3.04Å; R93-E97 VanDerWaalsContact O-N 3.1Å; K94-E97 WeakPolarHBondContact O-CB 3.44Å; K94-E97 PolarHBondContact O-N 3.1Å; K94-E97 VanDerWaalsContact O-N 3.17Å; E95-E97 VanDerWaalsContact C-N 3.31Å; E95-E97 PolarHBondContact O-N 3.25Å; E97-E99 PolarHBondContact O-N 3.37Å; E97-T100 WeakPolarHBondContact O-CB 3.49Å; E97-T100 PolarHBondContact O-N 3.13Å; E97-T100 VanDerWaalsContact O-N 3.15Å; E97-D101 PolarHBondContact O-N 3.12Å
98D90.1Very high86.6Confident81 Ų8161.1 Ų61.143%0.43331%0.313SS..Hα-helixtrans-59.4-46.9-179.5-70.2-18.3000111.3K94 E95 T100 D101 R102K94-D98 WeakPolarHBondContact O-CB 3.27Å; K94-D98 VanDerWaalsContact O-CG 3.25Å; K94-D98 PolarHBondContact O-N 3.31Å; E95-D98 PolarHBondContact O-N 3.46Å; D98-T100 VanDerWaalsContact C-N 3.32Å; D98-T100 PolarHBondContact O-N 2.93Å; D98-D101 PolarHBondContact O-N 3.5Å; D98-R102 WeakPolarHBondContact O-CB 3.45Å; D98-R102 PolarHBondContact O-N 3.46Å
99E90Very high86.1Confident13 Ų1360.2 Ų60.26%0.06131%0.31CS..Hα-helixtrans-69.4-30.5178.1175.852.9-153.100112.3R62 H80 E95 E97 R102 I115R62-E99 IonicContact CZ-OE1 2.7Å; R62-E99 PolarHBondContact NH1-O 2.96Å; R62-E99 IonicContact NH1-OE1 3.95Å; R62-E99 PolarHBondContact NH1-OE1 3.47Å; R62-E99 IonicContact NH2-OE1 3.57Å; H80-E99 IonicContact CD2-OE2 3.18Å; H80-E99 IonicContact NE2-OE2 3.5Å; E95-E99 WeakPolarHBondContact O-CB 3.47Å; E95-E99 PolarHBondContact O-N 3.39Å; E97-E99 PolarHBondContact O-N 3.37Å; E99-R102 VanDerWaalsContact CD-NH2 3.31Å; E99-R102 IonicContact OE1-CZ 3.08Å; E99-R102 IonicContact OE1-NE 2.93Å; E99-R102 IonicContact OE1-NH2 3.71Å; E99-R102 PolarHBondContact OE1-NH2 3.41Å; E99-R102 IonicContact OE2-CZ 2.71Å; E99-R102 VanDerWaalsContact OE2-CZ 3.3Å; E99-R102 IonicContact OE2-NE 2.66Å; E99-R102 PolarHBondContact OE2-NE 3.22Å; E99-R102 IonicContact OE2-NH2 2.63Å; E99-R102 PolarHBondContact OE2-NH2 2.67Å; E99-I115 HydrophobicContact CB-CD1 4.47Å; E99-I115 HydrophobicContact CG-CD1 4.07Å; E99-I115 HydrophobicContact CG-CG1 4.2Å
100T89.8Confident86.1Confident9 Ų960.6 Ų60.66%0.05531%0.313CS..Hα-helixtrans-67.2-52.4172.4-63.40000110.4R61 R62 I96 E97 D98 R102 V103 T104 I115R61-T100 HydrophobicContact CB-CG2 3.81Å; R62-T100 HydrophobicContact CG-CG2 4.28Å; I96-T100 WeakPolarHBondContact O-CB 3.49Å; I96-T100 PolarHBondContact O-N 2.62Å; I96-T100 PolarHBondContact O-OG1 2.99Å; E97-T100 WeakPolarHBondContact O-CB 3.49Å; E97-T100 PolarHBondContact O-N 3.13Å; E97-T100 VanDerWaalsContact O-N 3.15Å; D98-T100 VanDerWaalsContact C-N 3.32Å; D98-T100 PolarHBondContact O-N 2.93Å; T100-R102 VanDerWaalsContact C-N 3.29Å; T100-R102 PolarHBondContact O-N 3.1Å; T100-V103 PolarHBondContact O-N 3.19Å; T100-V103 VanDerWaalsContact O-N 3.12Å; T100-T104 HydrophobicContact CG2-CG2 4.46Å; T100-T104 PolarHBondContact O-N 3.35Å; T100-T104 PolarHBondContact O-OG1 3.48Å; T100-I115 WeakPolarHBondContact OG1-CD1 3.23Å
101D88.8Confident85.9Confident61 Ų6156.8 Ų56.833%0.32629%0.294SS..Hα-helixtrans-63.8-33.3-178.9-77-29.6000112.7R61 E97 D98 V103 G105R61-D101 IonicContact CZ-OD1 3.45Å; R61-D101 IonicContact NH1-OD1 2.66Å; R61-D101 PolarHBondContact NH1-OD1 3.18Å; R61-D101 IonicContact NH2-OD1 3.67Å; R61-D101 PolarHBondContact NH2-OD1 2.89Å; R61-D101 IonicContact NH2-OD2 3.72Å; E97-D101 PolarHBondContact O-N 3.12Å; D98-D101 PolarHBondContact O-N 3.5Å; D101-V103 PolarHBondContact O-N 3.07Å; D101-G105 WeakPolarHBondContact O-CA 3.2Å; D101-G105 PolarHBondContact O-N 3.39Å
102R89.2Confident85.5Confident173 Ų17356.4 Ų56.465%0.65330%0.295SS*.Hα-helixtrans-56.9-36.4173.9-170.1-17869.981.22.3112.9D98 E99 T100D98-R102 WeakPolarHBondContact O-CB 3.45Å; D98-R102 PolarHBondContact O-N 3.46Å; E99-R102 VanDerWaalsContact CD-NH2 3.31Å; E99-R102 IonicContact OE1-CZ 3.08Å; E99-R102 IonicContact OE1-NE 2.93Å; E99-R102 IonicContact OE1-NH2 3.71Å; E99-R102 PolarHBondContact OE1-NH2 3.41Å; E99-R102 IonicContact OE2-CZ 2.71Å; E99-R102 VanDerWaalsContact OE2-CZ 3.3Å; E99-R102 IonicContact OE2-NE 2.66Å; E99-R102 PolarHBondContact OE2-NE 3.22Å; E99-R102 IonicContact OE2-NH2 2.63Å; E99-R102 PolarHBondContact OE2-NH2 2.67Å; T100-R102 VanDerWaalsContact C-N 3.29Å; T100-R102 PolarHBondContact O-N 3.1Å
103V86.4Confident85Confident54 Ų5460.8 Ų60.833%0.32732%0.317SS..Hα-helixtrans-96.3-41.3-176175.80000112.2R62 T100 D101 I113R62-V103 VanDerWaalsContact NH1-CG2 3.29Å; T100-V103 PolarHBondContact O-N 3.19Å; T100-V103 VanDerWaalsContact O-N 3.12Å; D101-V103 PolarHBondContact O-N 3.07Å; V103-I113 HydrophobicContact CG1-CD1 4.49Å
104T83.6Confident84.7Confident25 Ų2560.3 Ų60.315%0.15332%0.321CS..Hα-helixtrans-92-10.8-175.5620000113.6R61 R62 T100 G109R61-T104 PolarHBondContact NH1-OG1 2.91Å; R62-T104 HydrophobicContact CG-CG2 4.06Å; T100-T104 HydrophobicContact CG2-CG2 4.46Å; T100-T104 PolarHBondContact O-N 3.35Å; T100-T104 PolarHBondContact O-OG1 3.48Å; T104-G109 WeakPolarHBondContact CB-O 3.4Å
105G80.2Confident84.6Confident32 Ų3254.5 Ų54.533%0.3330%0.296SS..THydrogen-bonded Turntrans67.6176.7-164.700000112.4R61 D101 N107R61-G105 PolarHBondContact NH1-O 3.31Å; D101-G105 WeakPolarHBondContact O-CA 3.2Å; D101-G105 PolarHBondContact O-N 3.39Å; G105-N107 VanDerWaalsContact C-N 3.26Å; G105-N107 PolarHBondContact O-N 3.38Å
106S73.8Confident84.3Confident98 Ų9855.1 Ų55.169%0.68530%0.301SS*.THydrogen-bonded Turntrans-75.1-9.4178.748.90000114.3K108S106-K108 PolarHBondContact O-N 3.2Å
107N68.8Low84.2Confident101 Ų10154.7 Ų54.754%0.5430%0.299SS..THydrogen-bonded Turntrans-83.631.1-170.7-65.40.8000114.1G105 G109 D142G105-N107 VanDerWaalsContact C-N 3.26Å; G105-N107 PolarHBondContact O-N 3.38Å; N107-G109 PolarHBondContact O-N 3.44Å; N107-D142 HydrophobicContact CB-CB 4.44Å
108K71.9Confident84.1Confident89 Ų8954 Ų5439%0.38729%0.293SS..THydrogen-bonded Turntrans54.121.3177.6-59.3-179.7178.9175.80115.6S106 Q143S106-K108 PolarHBondContact O-N 3.2Å; K108-Q143 HydrophobicContact CB-CG 4.15Å
109G79Confident84Confident21 Ų2150.1 Ų50.122%0.21627%0.272CS..  trans-67.9163.4174.600000112.7R61 T104 N107R61-G109 WeakPolarHBondContact CD-O 3.28Å; T104-G109 WeakPolarHBondContact CB-O 3.4Å; N107-G109 PolarHBondContact O-N 3.44Å
110I86.1Confident83.9Confident29 Ų2951.4 Ų51.415%0.14928%0.277CS..  trans-114.5156.6176.166173.1000110.8R61 I147 Q150 I151 M154R61-I110 HydrophobicContact CB-CG2 4.36Å; R61-I110 VanDerWaalsContact O-CA 3.27Å; R61-I110 WeakPolarHBondContact O-CA 3.45Å; R61-I110 WeakPolarHBondContact O-CB 3.48Å; I110-I147 HydrophobicContact CB-CD1 4.5Å; I110-I147 HydrophobicContact CD1-CD1 3.68Å; I110-I147 HydrophobicContact CG1-CD1 3.84Å; I110-I147 HydrophobicContact CG2-CD1 3.93Å; I110-Q150 HydrophobicContact CD1-CB 3.76Å; I110-I151 HydrophobicContact CD1-CG1 3.63Å; I110-M154 HydrophobicContact CB-CE 4.21Å; I110-M154 HydrophobicContact CD1-CE 3.81Å; I110-M154 HydrophobicContact CG1-CE 4.11Å
111S85.8Confident83.7Confident18 Ų1851 Ų5113%0.12627%0.274CS..  trans-139.8142.2174.3171.30000110.8R61 P63 I113 M154R61-S111 PolarHBondContact O-N 3.37Å; R61-S111 VanDerWaalsContact O-N 3.11Å; P63-S111 WeakPolarHBondContact CD-O 3.25Å; S111-I113 PolarHBondContact O-N 3.27Å; S111-I113 PolarHBondContact OG-N 3.15Å; S111-M154 VanDerWaalsContact C-CE 3.45Å; S111-M154 VanDerWaalsContact O-CE 3.31Å; S111-M154 WeakPolarHBondContact O-CE 3.41Å
112N82.1Confident83.3Confident88 Ų8850.7 Ų50.747%0.47128%0.276SS..SBendtrans-80.2-3.6177.764.2-15.4000113.3P114 M154N112-P114 WeakPolarHBondContact O-CD 3.48Å; N112-M154 HydrophobicContact CB-CE 4.24Å; N112-M154 HydrophobicContact CB-CG 4.47Å
113I82.4Confident82.6Confident92 Ų9248.5 Ų48.547%0.47227%0.272SS..  trans-78.3114.2178.3-56.8174.7000109R62 V103 S111R62-I113 PolarHBondContact NE-O 3.25Å; R62-I113 PolarHBondContact NH2-O 3.09Å; V103-I113 HydrophobicContact CG1-CD1 4.49Å; S111-I113 PolarHBondContact O-N 3.27Å; S111-I113 PolarHBondContact OG-N 3.15Å
114P84.8Confident82.2Confident45 Ų4546 Ų4629%0.29226%0.258SS..  trans-71.8155.4-175.129.6-35.1000112.8R62 P63 I65 N112R62-P114 PolarHBondContact NH2-O 3.04Å; P63-P114 HydrophobicContact CB-CB 4.19Å; P63-P114 CarbonylContact O-C 3.54Å; P63-P114 WeakPolarHBondContact O-CA 3.5Å; I65-P114 HydrophobicContact CD1-CB 3.72Å; I65-P114 HydrophobicContact CD1-CG 4Å; I65-P114 HydrophobicContact CG1-CB 4.01Å; N112-P114 WeakPolarHBondContact O-CD 3.48Å
115I88.3Confident81.7Confident5 Ų547.4 Ų47.43%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-99.6130.2165.4-59.1173.8000107.3R62 P63 L64 I65 F78 I96 E99 T100R62-I115 HydrophobicContact CB-CD1 4.36Å; R62-I115 HydrophobicContact CB-CG1 4.46Å; P63-I115 PolarHBondContact O-N 3.12Å; L64-I115 HydrophobicContact CD1-CB 3.8Å; L64-I115 HydrophobicContact CD1-CG2 3.78Å; I65-I115 PolarHBondContact N-O 3.34Å; F78-I115 HydrophobicContact CD1-CG2 3.99Å; F78-I115 HydrophobicContact CE1-CG2 3.94Å; I96-I115 HydrophobicContact CG2-CD1 4.42Å; E99-I115 HydrophobicContact CB-CD1 4.47Å; E99-I115 HydrophobicContact CG-CD1 4.07Å; E99-I115 HydrophobicContact CG-CG1 4.2Å; T100-I115 WeakPolarHBondContact OG1-CD1 3.23Å
116N87.4Confident81.3Confident46 Ų4646.5 Ų46.525%0.24625%0.251CS..EExtended strand (participates in β ladder)trans-105.7118.5178.5-71-73.7000109.9I65 L79I65-N116 WeakPolarHBondContact CB-OD1 3.28Å; I65-N116 WeakPolarHBondContact CD1-OD1 3.48Å; L79-N116 HydrophobicContact CB-CB 3.69Å; L79-N116 HydrophobicContact CD2-CB 4.03Å; L79-N116 PolarHBondContact N-O 3.46Å; L79-N116 VanDerWaalsContact N-O 3.14Å
117L89.1Confident81.5Confident0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-124.9126.3-18017260.8000110F51 L64 I65 L66 Q67 F78 I92 I96 V119F51-L117 HydrophobicContact CD2-CD2 4.18Å; F51-L117 HydrophobicContact CE2-CD2 4.18Å; L64-L117 HydrophobicContact CD1-CB 4.21Å; I65-L117 PolarHBondContact O-N 3.45Å; L66-L117 HydrophobicContact CD1-CB 4.41Å; L66-L117 HydrophobicContact CD1-CD2 3.88Å; L66-L117 HydrophobicContact CD1-CG 4.03Å; Q67-L117 PolarHBondContact N-O 3.46Å; F78-L117 HydrophobicContact CD1-CB 4.16Å; F78-L117 HydrophobicContact CD1-CD1 4.09Å; F78-L117 HydrophobicContact CD2-CD1 4.23Å; F78-L117 HydrophobicContact CE1-CB 3.98Å; F78-L117 HydrophobicContact CE1-CD1 3.86Å; F78-L117 HydrophobicContact CE1-CD2 4.34Å; F78-L117 HydrophobicContact CE1-CG 4.27Å; F78-L117 HydrophobicContact CE2-CD1 3.99Å; F78-L117 HydrophobicContact CG-CD1 4.29Å; F78-L117 HydrophobicContact CZ-CD1 3.81Å; F78-L117 HydrophobicContact CZ-CD2 4.34Å; F78-L117 HydrophobicContact CZ-CG 4.49Å; I92-L117 HydrophobicContact CG2-CD1 4.19Å; I92-L117 HydrophobicContact CG2-CD2 3.63Å; I96-L117 HydrophobicContact CD1-CD2 4.17Å; L117-V119 HydrophobicContact CD1-CG2 4.32Å; L117-V119 HydrophobicContact CD2-CG2 4.11Å; L117-V119 HydrophobicContact CG-CG2 3.97Å
118R88.1Confident82Confident53 Ų5337.3 Ų37.320%0.220%0.195CC..EExtended strand (participates in β ladder)trans-99.5130.1168.8-70.6173.7-176.6-175.52.3109.3D13 Q67 I69 G76 E77 Y120D13-R118 IonicContact OD1-CZ 3.55Å; D13-R118 VanDerWaalsContact OD1-CZ 3.3Å; D13-R118 IonicContact OD1-NH1 2.66Å; D13-R118 PolarHBondContact OD1-NH1 2.99Å; D13-R118 VanDerWaalsContact OD1-NH1 3.17Å; D13-R118 IonicContact OD1-NH2 3.63Å; D13-R118 PolarHBondContact OD1-NH2 3.29Å; D13-R118 IonicContact OD2-NH1 3.78Å; Q67-R118 HydrophobicContact CB-CG 4.03Å; Q67-R118 CarbonylContact O-C 3.57Å; Q67-R118 WeakPolarHBondContact O-CA 3.28Å; I69-R118 HydrophobicContact CD1-CG 4.43Å; G76-R118 CarbonylContact C-O 3.15Å; G76-R118 WeakPolarHBondContact CA-O 3.48Å; E77-R118 PolarHBondContact N-O 2.91Å; E77-R118 PolarHBondContact O-N 2.87Å; R118-Y120 HydrophobicContact CB-CE2 3.83Å
119V89.1Confident82.7Confident0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-120.3118172.8-1800000108.4V47 L66 Q67 L68 I69 F89 L117V47-V119 HydrophobicContact CG1-CG1 4.11Å; L66-V119 HydrophobicContact CD1-CG2 3.76Å; Q67-V119 PolarHBondContact O-N 3.23Å; L68-V119 HydrophobicContact CD2-CB 3.94Å; L68-V119 HydrophobicContact CD2-CG1 4.49Å; L68-V119 HydrophobicContact CD2-CG2 4.45Å; I69-V119 PolarHBondContact N-O 2.82Å; F89-V119 HydrophobicContact CE1-CG1 3.87Å; F89-V119 HydrophobicContact CZ-CG1 4.03Å; L117-V119 HydrophobicContact CD1-CG2 4.32Å; L117-V119 HydrophobicContact CD2-CG2 4.11Å; L117-V119 HydrophobicContact CG-CG2 3.97Å
120Y87.8Confident83.2Confident41 Ų4132 Ų3216%0.16117%0.166CC..EExtended strand (participates in β ladder)trans-94.6128.1172.8-61.9-96.1000108I69 E74 Y75 R118I69-Y120 HydrophobicContact CB-CD1 3.82Å; I69-Y120 HydrophobicContact CB-CE1 3.96Å; I69-Y120 HydrophobicContact CB-CG 4.45Å; I69-Y120 HydrophobicContact CD1-CD1 4.31Å; I69-Y120 HydrophobicContact CD1-CE1 3.62Å; I69-Y120 HydrophobicContact CD1-CE2 4.38Å; I69-Y120 HydrophobicContact CG1-CE1 4.38Å; I69-Y120 HydrophobicContact CG2-CD1 3.73Å; I69-Y120 HydrophobicContact CG2-CE1 3.75Å; I69-Y120 VanDerWaalsContact O-CA 3.29Å; I69-Y120 WeakPolarHBondContact O-CA 3.34Å; E74-Y120 VanDerWaalsContact CA-O 3.22Å; E74-Y120 WeakPolarHBondContact CA-O 3.25Å; Y75-Y120 HydrophobicContact CD1-CD2 4.33Å; Y75-Y120 HydrophobicContact CD1-CG 4.29Å; Y75-Y120 AromaticContact CD2-CD2 3.81Å; Y75-Y120 HydrophobicContact CD2-CD2 3.81Å; Y75-Y120 HydrophobicContact CD2-CE2 4.4Å; Y75-Y120 HydrophobicContact CE1-CD1 4.34Å; Y75-Y120 AromaticContact CE1-CD2 3.82Å; Y75-Y120 HydrophobicContact CE1-CD2 3.82Å; Y75-Y120 AromaticContact CE1-CG 3.67Å; Y75-Y120 HydrophobicContact CE1-CG 3.67Å; Y75-Y120 AromaticContact CE2-CD2 3.21Å; Y75-Y120 HydrophobicContact CE2-CD2 3.21Å; Y75-Y120 AromaticContact CE2-CE2 3.49Å; Y75-Y120 HydrophobicContact CE2-CE2 3.49Å; Y75-Y120 VanDerWaalsContact CE2-CE2 3.49Å; Y75-Y120 AromaticContact CE2-CG 3.97Å; Y75-Y120 HydrophobicContact CE2-CG 3.97Å; Y75-Y120 HydrophobicContact CG-CD2 4.33Å; Y75-Y120 AromaticContact CZ-CD2 3.21Å; Y75-Y120 AromaticContact CZ-CE2 3.6Å; Y75-Y120 AromaticContact CZ-CG 3.48Å; Y75-Y120 VanDerWaalsContact CZ-CG 3.48Å; Y75-Y120 PolarHBondContact N-O 3.3Å; Y75-Y120 PolarHBondContact O-N 3Å; Y75-Y120 WeakPolarHBondContact OH-CD2 3.23Å; Y75-Y120 WeakPolarHBondContact OH-CE2 3.4Å; R118-Y120 HydrophobicContact CB-CE2 3.83Å
121S84.6Confident83.5Confident0 Ų030.8 Ų30.80%016%0.159CC..EExtended strand (participates in β ladder)trans-159.5148.7174.9164.10000111.4I69 N70 G71 E74 H123 V124I69-S121 PolarHBondContact O-N 3.3Å; N70-S121 WeakPolarHBondContact CA-O 3.28Å; G71-S121 PolarHBondContact N-O 3.32Å; G71-S121 CarbonylContact O-C 3.57Å; E74-S121 WeakPolarHBondContact OE1-CB 3.35Å; E74-S121 PolarHBondContact OE1-OG 3.49Å; S121-H123 PolarHBondContact O-N 3.4Å; S121-H123 PolarHBondContact OG-N 2.88Å; S121-H123 VanDerWaalsContact OG-N 3.08Å; S121-V124 WeakPolarHBondContact O-CG2 3.28Å
122P81.1Confident83.8Confident55 Ų5529.9 Ų29.936%0.35715%0.153SC..THydrogen-bonded Turntrans-75.8-11.9175.330.9-34000112.3G71 E74G71-P122 WeakPolarHBondContact O-CA 3.4Å; G71-P122 WeakPolarHBondContact O-CB 3.43Å; G71-P122 WeakPolarHBondContact O-CD 3.34Å; E74-P122 VanDerWaalsContact CG-CD 3.47Å; E74-P122 HydrophobicContact CG-CG 4.42Å
123H74.6Confident84.1Confident126 Ų12625.8 Ų25.858%0.58313%0.131SC*.THydrogen-bonded Turntrans-96.7-2.8-175.6-59.1-53.3000113.5E74 S121E74-H123 IonicContact OE1-CD2 2.84Å; E74-H123 PolarHBondContact OE1-CD2 3.09Å; S121-H123 PolarHBondContact O-N 3.4Å; S121-H123 PolarHBondContact OG-N 2.88Å; S121-H123 VanDerWaalsContact OG-N 3.08Å
124V77Confident84.4Confident3 Ų321.7 Ų21.72%0.01811%0.112CC..SBendtrans-109.2149.3-178.4-55.40000111.9L68 N70 S121L68-V124 HydrophobicContact CB-CB 4.21Å; L68-V124 HydrophobicContact CB-CG2 4.05Å; L68-V124 HydrophobicContact CD1-CB 4.43Å; N70-V124 WeakPolarHBondContact CB-O 3.29Å; N70-V124 PolarHBondContact ND2-O 3.35Å; S121-V124 WeakPolarHBondContact O-CG2 3.28Å
125L73.4Confident84.5Confident53 Ų5320 Ų2028%0.27710%0.1SC..  trans-83.6151.8165.7-64.5176.8000109.4L68 L127 N277L68-L125 WeakPolarHBondContact CB-O 3.43Å; L125-L127 HydrophobicContact CB-CD1 4.32Å; L125-L127 HydrophobicContact CB-CG 4.23Å; L125-L127 PolarHBondContact O-N 2.81Å; L125-N277 HydrophobicContact CD1-CB 3.75Å
126N73Confident84.3Confident13 Ų1320.1 Ų20.17%0.0710%0.101CC..SBendtrans-59.6113.1170-68.5-33.5000108.4I5 L68 I69 N70 N277I5-N126 HydrophobicContact CB-CB 3.81Å; I5-N126 HydrophobicContact CD1-CB 4.27Å; I5-N126 WeakPolarHBondContact CD1-O 3.21Å; I5-N126 HydrophobicContact CG2-CB 3.6Å; L68-N126 CarbonylContact O-C 3.54Å; L68-N126 VanDerWaalsContact O-CA 3.26Å; L68-N126 WeakPolarHBondContact O-CA 3.46Å; I69-N126 WeakPolarHBondContact CA-OD1 3.32Å; N70-N126 PolarHBondContact N-OD1 3.49Å; N126-N277 PolarHBondContact O-ND2 3.2Å
127L76.9Confident83.8Confident3 Ų324 Ų242%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-153139.7-176.6-73.1176.8000110.1L68 L125 L129 N277 L280L68-L127 HydrophobicContact CB-CB 4.37Å; L68-L127 HydrophobicContact CD1-CB 4.49Å; L68-L127 PolarHBondContact N-O 3.37Å; L68-L127 PolarHBondContact O-N 3.03Å; L125-L127 HydrophobicContact CB-CD1 4.32Å; L125-L127 HydrophobicContact CB-CG 4.23Å; L125-L127 PolarHBondContact O-N 2.81Å; L127-L129 HydrophobicContact CB-CD1 4.46Å; L127-N277 HydrophobicContact CD2-CB 4.09Å; L127-L280 HydrophobicContact CD2-CD2 3.79Å
128T79.9Confident83.3Confident3 Ų329 Ų292%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-113.1115.2171.8-57.10000109.4Q28 I29 I65 L66 Q67Q28-T128 HydrophobicContact CG-CG2 4.32Å; I29-T128 PolarHBondContact N-O 3.46Å; I65-T128 HydrophobicContact CG2-CG2 4.26Å; L66-T128 WeakPolarHBondContact O-CA 3.44Å; Q67-T128 HydrophobicContact CG-CG2 4.06Å
129L87.2Confident82.8Confident0 Ų028.3 Ų28.30%015%0.151CC..EExtended strand (participates in β ladder)trans-118.7140.5-175.1-67153.1000109.1I29 V31 L43 F46 L66 L68 L127I29-L129 HydrophobicContact CB-CD2 3.94Å; I29-L129 HydrophobicContact CD1-CD2 4.19Å; I29-L129 HydrophobicContact CG2-CD2 3.87Å; I29-L129 CarbonylContact O-C 3.58Å; I29-L129 WeakPolarHBondContact O-CA 3.37Å; V31-L129 HydrophobicContact CG2-CD2 4.49Å; L43-L129 HydrophobicContact CD2-CB 3.93Å; L43-L129 HydrophobicContact CD2-CD1 3.78Å; L43-L129 HydrophobicContact CD2-CD2 4.2Å; L43-L129 HydrophobicContact CD2-CG 4.19Å; F46-L129 HydrophobicContact CD2-CD1 3.79Å; F46-L129 HydrophobicContact CE2-CD1 4.39Å; F46-L129 HydrophobicContact CE2-CD2 4.43Å; L66-L129 HydrophobicContact CB-CB 4.46Å; L66-L129 PolarHBondContact N-O 3.11Å; L66-L129 PolarHBondContact O-N 3.3Å; L68-L129 HydrophobicContact CD1-CD1 3.96Å; L127-L129 HydrophobicContact CB-CD1 4.46Å
130I89.5Confident82.1Confident0 Ų032.7 Ų32.70%017%0.174CC..EExtended strand (participates in β ladder)trans-113.4111.3174.1-45.4175.1000107.5Q28 I29 V31 P63 L64 I65 L132 F158Q28-I130 HydrophobicContact CB-CD1 4.04Å; Q28-I130 HydrophobicContact CB-CG1 4.47Å; I29-I130 PolarHBondContact O-N 3.01Å; V31-I130 PolarHBondContact N-O 3.24Å; P63-I130 HydrophobicContact CB-CG2 4.49Å; L64-I130 CarbonylContact O-C 3.48Å; L64-I130 WeakPolarHBondContact O-CA 3.44Å; I65-I130 HydrophobicContact CG1-CG2 4.39Å; I130-L132 HydrophobicContact CG2-CD2 3.8Å; I130-L132 HydrophobicContact CG2-CG 4.17Å; I130-F158 HydrophobicContact CD1-CD1 3.53Å; I130-F158 HydrophobicContact CD1-CE1 4.03Å; I130-F158 HydrophobicContact CD1-CG 4.35Å; I130-F158 HydrophobicContact CG2-CD1 4.29Å; I130-F158 HydrophobicContact CG2-CE1 4.22Å
131D91.7Very high81.5Confident2 Ų233.7 Ų33.71%0.01120%0.197CC..EExtended strand (participates in β ladder)trans-80.7123.5168.2-165.531000108.9L43 T60 P63 L64L43-D131 HydrophobicContact CD1-CB 3.52Å; T60-D131 HydrophobicContact CG2-CB 4.47Å; T60-D131 WeakPolarHBondContact CG2-OD2 3.38Å; T60-D131 PolarHBondContact OG1-OD2 3Å; P63-D131 WeakPolarHBondContact CA-O 3.17Å; L64-D131 HydrophobicContact CB-CB 4.13Å; L64-D131 PolarHBondContact N-O 3.41Å; L64-D131 PolarHBondContact O-N 3.26Å
132L91.3Very high80.9Confident0 Ų039.7 Ų39.70%023%0.229CC..  trans-109.5150179.5-63.6171.4000110.3A30 V32 K39 P63 I130 G134 I155 F158A30-L132 HydrophobicContact CB-CD1 3.98Å; V32-L132 HydrophobicContact CG2-CD1 4.09Å; K39-L132 VanDerWaalsContact CE-O 3.32Å; K39-L132 WeakPolarHBondContact CE-O 3.35Å; P63-L132 HydrophobicContact CB-CD2 4.04Å; P63-L132 HydrophobicContact CG-CD2 4.29Å; I130-L132 HydrophobicContact CG2-CD2 3.8Å; I130-L132 HydrophobicContact CG2-CG 4.17Å; L132-G134 PolarHBondContact O-N 3.05Å; L132-I155 HydrophobicContact CB-CG1 4.2Å; L132-I155 HydrophobicContact CD1-CB 4.4Å; L132-I155 HydrophobicContact CD1-CG1 4.17Å; L132-I155 HydrophobicContact CD1-CG2 4.19Å; L132-F158 HydrophobicContact CD1-CB 4.36Å; L132-F158 HydrophobicContact CD1-CD2 4.43Å; L132-F158 HydrophobicContact CD2-CD2 3.46Å; L132-F158 VanDerWaalsContact CD2-CD2 3.46Å; L132-F158 HydrophobicContact CD2-CE2 3.68Å; L132-F158 HydrophobicContact CD2-CG 4.11Å; L132-F158 HydrophobicContact CD2-CZ 4.47Å
133P89.8Confident80.7Confident2 Ų237.8 Ų37.81%0.01322%0.215CC..PPolyproline II helixtrans-51.2139.1174.5-27.835.8000112.4I58 T60 I151 M154I58-P133 HydrophobicContact CG2-CB 4.5Å; T60-P133 VanDerWaalsContact O-CA 3.3Å; T60-P133 WeakPolarHBondContact O-CA 3.39Å; T60-P133 WeakPolarHBondContact O-CB 3.47Å; T60-P133 WeakPolarHBondContact O-CG 3.27Å; P133-I151 HydrophobicContact CB-CG1 4.34Å; P133-I151 HydrophobicContact CB-CG2 4.1Å; P133-M154 HydrophobicContact CG-SD 3.65Å
134G88.6Confident80.9Confident6 Ų634.1 Ų34.16%0.06220%0.203CC..PPolyproline II helixtrans-73.1138.4177.800000112G33 L132 T136G33-G134 WeakPolarHBondContact O-CA 3.31Å; L132-G134 PolarHBondContact O-N 3.05Å; G134-T136 PolarHBondContact O-N 2.64Å
135L86.7Confident81.1Confident9 Ų941.1 Ų41.15%0.04725%0.245CC..BIsolated β-bridgetrans-64.6132.4176.1-67.9160.8000111.1G33 Q35 I151 K152 I155 D180 L184G33-L135 PolarHBondContact O-N 3.4Å; Q35-L135 PolarHBondContact N-O 2.91Å; L135-I151 HydrophobicContact CD2-CG2 3.87Å; L135-I151 HydrophobicContact CG-CG2 4.46Å; L135-K152 HydrophobicContact CD2-CG 3.59Å; L135-I155 HydrophobicContact CD1-CD1 4.44Å; L135-I155 HydrophobicContact CD2-CD1 3.88Å; L135-I155 HydrophobicContact CG-CD1 3.96Å; L135-D180 HydrophobicContact CD1-CB 3.56Å; L135-L184 HydrophobicContact CD1-CD1 3.51Å; L135-L184 HydrophobicContact CD1-CG 4.13Å; L135-L184 HydrophobicContact CD2-CD1 4.23Å; L135-L184 HydrophobicContact CG-CD1 4.32Å
136T83.8Confident81.7Confident7 Ų741.5 Ų41.54%0.04325%0.247CC..  trans-126130.9175.857.60000109Q35 I58 G134 E148Q35-T136 HydrophobicContact CB-CG2 4.02Å; Q35-T136 HydrophobicContact CG-CG2 4.3Å; Q35-T136 VanDerWaalsContact OE1-CG2 3.26Å; I58-T136 HydrophobicContact CD1-CG2 4.08Å; I58-T136 HydrophobicContact CG1-CG2 3.71Å; G134-T136 PolarHBondContact O-N 2.64Å; T136-E148 WeakPolarHBondContact O-CB 3.4Å; T136-E148 WeakPolarHBondContact O-CG 3.35Å
137K77.4Confident82.3Confident129 Ų12941 Ų4156%0.56124%0.244SC*.SBendtrans-86.4-18.3-178.5-65.7-178.9179.9174.10113.9D180K137-D180 WeakPolarHBondContact CE-OD1 3.38Å; K137-D180 VanDerWaalsContact CE-OD2 3.28Å; K137-D180 WeakPolarHBondContact CE-OD2 3.47Å; K137-D180 IonicContact NZ-OD1 3.73Å; K137-D180 PolarHBondContact NZ-OD1 2.85Å; K137-D180 IonicContact NZ-OD2 3.52Å
138V78.4Confident82.9Confident105 Ų10543.6 Ų43.664%0.63626%0.257SS*.SBendtrans-132.4130.8-177.1-175.40000107.9
139A76.4Confident83.3Confident37 Ų3749.5 Ų49.531%0.30628%0.284SS..  trans-68.2133.3173.300000109.9Q143 I147A139-Q143 HydrophobicContact CB-CB 4.11Å; A139-I147 HydrophobicContact CB-CG2 3.97Å
140I76.1Confident83.3Confident92 Ų9252.5 Ų52.547%0.47230%0.298SS..  trans-121.5127179.8-54.9173000109.5Q143I140-Q143 WeakPolarHBondContact O-CG 3.46Å
141G74.7Confident83.4Confident62 Ų6252.5 Ų52.564%0.63930%0.298SS*.SBendtrans73.8-137.1-179.300000112Q143G141-Q143 PolarHBondContact O-N 2.91Å; G141-Q143 VanDerWaalsContact O-N 3.14Å
142D72.3Confident83.4Confident126 Ų12655.7 Ų55.767%0.67431%0.312SS*.SBendtrans-8016.4-177.7-53.9-42.7000114.2N107N107-D142 HydrophobicContact CB-CB 4.44Å
143Q76.3Confident83.3Confident16 Ų1661.5 Ų61.58%0.07534%0.339CS..  trans-72.7141.7178.4-71.1177.4-10.600110.7I58 K108 A139 I140 G141I58-Q143 VanDerWaalsContact CD1-NE2 3.3Å; K108-Q143 HydrophobicContact CB-CG 4.15Å; A139-Q143 HydrophobicContact CB-CB 4.11Å; I140-Q143 WeakPolarHBondContact O-CG 3.46Å; G141-Q143 PolarHBondContact O-N 2.91Å; G141-Q143 VanDerWaalsContact O-N 3.14Å
144P79.1Confident83.3Confident49 Ų4961.8 Ų61.832%0.31834%0.34SS..  trans-68.7150.8179.133.3-38.2000110.8D146 I147P144-D146 VanDerWaalsContact CB-OD1 3.32Å; P144-D146 WeakPolarHBondContact CB-OD1 3.22Å; P144-D146 PolarHBondContact O-N 3.04Å; P144-D146 VanDerWaalsContact O-N 3.13Å; P144-I147 HydrophobicContact CG-CB 4.27Å; P144-I147 HydrophobicContact CG-CD1 4.27Å; P144-I147 VanDerWaalsContact O-CB 3.27Å; P144-I147 WeakPolarHBondContact O-CB 3.41Å; P144-I147 WeakPolarHBondContact O-CG2 3.2Å; P144-I147 PolarHBondContact O-N 3.42Å
145V81.4Confident83.5Confident149 Ų14961.6 Ų61.690%0.90334%0.338SS*.THydrogen-bonded Turntrans-61.7-22.3-176.4-71.90000113.6
146D86.2Confident83.8Confident61 Ų6162.3 Ų62.333%0.32634%0.341SS..THydrogen-bonded Turntrans-9613178.568.5-37.8000113.5P144 E148 Q149 Q150P144-D146 VanDerWaalsContact CB-OD1 3.32Å; P144-D146 WeakPolarHBondContact CB-OD1 3.22Å; P144-D146 PolarHBondContact O-N 3.04Å; P144-D146 VanDerWaalsContact O-N 3.13Å; D146-E148 PolarHBondContact O-N 3.45Å; D146-E148 VanDerWaalsContact O-N 3.12Å; D146-Q149 WeakPolarHBondContact O-CA 3.32Å; D146-Q149 WeakPolarHBondContact O-CB 3.48Å; D146-Q149 PolarHBondContact O-N 3.47Å; D146-Q150 PolarHBondContact O-N 3.41Å; D146-Q150 PolarHBondContact OD1-NE2 2.92Å; D146-Q150 PolarHBondContact OD2-NE2 3.08Å
147I85.4Confident84Confident2 Ų266.8 Ų66.81%0.0136%0.361CS..Hα-helixtrans-53.4-37.5-176.6-170.164000113.4I58 I110 A139 P144 Q149 Q150 I151I58-I147 HydrophobicContact CD1-CD1 4.47Å; I58-I147 HydrophobicContact CD1-CG1 3.99Å; I110-I147 HydrophobicContact CB-CD1 4.5Å; I110-I147 HydrophobicContact CD1-CD1 3.68Å; I110-I147 HydrophobicContact CG1-CD1 3.84Å; I110-I147 HydrophobicContact CG2-CD1 3.93Å; A139-I147 HydrophobicContact CB-CG2 3.97Å; P144-I147 HydrophobicContact CG-CB 4.27Å; P144-I147 HydrophobicContact CG-CD1 4.27Å; P144-I147 VanDerWaalsContact O-CB 3.27Å; P144-I147 WeakPolarHBondContact O-CB 3.41Å; P144-I147 WeakPolarHBondContact O-CG2 3.2Å; P144-I147 PolarHBondContact O-N 3.42Å; I147-Q149 VanDerWaalsContact C-N 3.34Å; I147-Q149 PolarHBondContact O-N 2.9Å; I147-Q150 PolarHBondContact O-N 3.4Å; I147-I151 HydrophobicContact CD1-CD1 4.43Å; I147-I151 HydrophobicContact CD1-CG1 4.46Å; I147-I151 HydrophobicContact CG1-CD1 3.96Å; I147-I151 HydrophobicContact CG1-CG1 4.41Å; I147-I151 VanDerWaalsContact O-CG1 3.27Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 3.18Å
148E88Confident84.5Confident59 Ų5962 Ų6228%0.27634%0.34SS..Hα-helixtrans-60-44.7176-172.8-173163.600111.3T136 D146 I151 K152T136-E148 WeakPolarHBondContact O-CB 3.4Å; T136-E148 WeakPolarHBondContact O-CG 3.35Å; D146-E148 PolarHBondContact O-N 3.45Å; D146-E148 VanDerWaalsContact O-N 3.12Å; E148-I151 PolarHBondContact O-N 2.8Å; E148-K152 WeakPolarHBondContact O-CB 3.4Å; E148-K152 WeakPolarHBondContact O-CG 3.37Å; E148-K152 PolarHBondContact O-N 3.08Å; E148-K152 WeakPolarHBondContact OE1-CE 3.48Å; E148-K152 IonicContact OE1-NZ 2.9Å; E148-K152 PolarHBondContact OE1-NZ 3.47Å
149Q88.8Confident85.1Confident126 Ų12657 Ų5759%0.58931%0.31SS*.Hα-helixtrans-67.3-41.7179.8-65.3-175.5-8.300111D146 I147 I151 K152 Q153D146-Q149 WeakPolarHBondContact O-CA 3.32Å; D146-Q149 WeakPolarHBondContact O-CB 3.48Å; D146-Q149 PolarHBondContact O-N 3.47Å; I147-Q149 VanDerWaalsContact C-N 3.34Å; I147-Q149 PolarHBondContact O-N 2.9Å; Q149-I151 PolarHBondContact O-N 2.89Å; Q149-K152 PolarHBondContact O-N 3.08Å; Q149-Q153 WeakPolarHBondContact O-CB 3.5Å; Q149-Q153 VanDerWaalsContact O-CG 3.3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.49Å; Q149-Q153 PolarHBondContact O-N 3.4Å
150Q88.6Confident85.9Confident63 Ų6363.5 Ų63.529%0.29433%0.326SS..Hα-helixtrans-62.9-43.2177.6-60.9-177.31600111.7I110 D146 I147 Q153 M154I110-Q150 HydrophobicContact CD1-CB 3.76Å; D146-Q150 PolarHBondContact O-N 3.41Å; D146-Q150 PolarHBondContact OD1-NE2 2.92Å; D146-Q150 PolarHBondContact OD2-NE2 3.08Å; I147-Q150 PolarHBondContact O-N 3.4Å; Q150-Q153 PolarHBondContact O-N 3.3Å; Q150-M154 WeakPolarHBondContact O-CB 3.48Å; Q150-M154 PolarHBondContact O-N 2.75Å
151I90Very high86.4Confident0 Ų062.5 Ų62.50%032%0.319CS..Hα-helixtrans-63.7-44.8175.5-65.6168.4000110.7I58 I110 P133 L135 I147 E148 Q149 Q153 M154 I155I58-I151 HydrophobicContact CD1-CD1 3.72Å; I110-I151 HydrophobicContact CD1-CG1 3.63Å; P133-I151 HydrophobicContact CB-CG1 4.34Å; P133-I151 HydrophobicContact CB-CG2 4.1Å; L135-I151 HydrophobicContact CD2-CG2 3.87Å; L135-I151 HydrophobicContact CG-CG2 4.46Å; I147-I151 HydrophobicContact CD1-CD1 4.43Å; I147-I151 HydrophobicContact CD1-CG1 4.46Å; I147-I151 HydrophobicContact CG1-CD1 3.96Å; I147-I151 HydrophobicContact CG1-CG1 4.41Å; I147-I151 VanDerWaalsContact O-CG1 3.27Å; I147-I151 WeakPolarHBondContact O-CG1 3.41Å; I147-I151 PolarHBondContact O-N 3.18Å; E148-I151 PolarHBondContact O-N 2.8Å; Q149-I151 PolarHBondContact O-N 2.89Å; I151-Q153 PolarHBondContact O-N 3.03Å; I151-M154 WeakPolarHBondContact O-CB 3.05Å; I151-M154 PolarHBondContact O-N 3.49Å; I151-I155 HydrophobicContact CG2-CD1 3.75Å; I151-I155 HydrophobicContact CG2-CG1 4.35Å; I151-I155 VanDerWaalsContact O-CG1 3.32Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 3.1Å
152K91.8Very high86.9Confident69 Ų6967.3 Ų67.330%0.333%0.325SS..Hα-helixtrans-58.9-46.7175.9-77.8-178.5-175.4169.90111.7L135 E148 Q149 M154 I155 F156 L184L135-K152 HydrophobicContact CD2-CG 3.59Å; E148-K152 WeakPolarHBondContact O-CB 3.4Å; E148-K152 WeakPolarHBondContact O-CG 3.37Å; E148-K152 PolarHBondContact O-N 3.08Å; E148-K152 WeakPolarHBondContact OE1-CE 3.48Å; E148-K152 IonicContact OE1-NZ 2.9Å; E148-K152 PolarHBondContact OE1-NZ 3.47Å; Q149-K152 PolarHBondContact O-N 3.08Å; K152-M154 VanDerWaalsContact C-N 3.31Å; K152-M154 PolarHBondContact O-N 3.26Å; K152-I155 PolarHBondContact O-N 3.12Å; K152-F156 HydrophobicContact CB-CD2 4.44Å; K152-F156 HydrophobicContact CB-CE2 4.28Å; K152-F156 WeakPolarHBondContact O-CD2 3.45Å; K152-F156 WeakPolarHBondContact O-CG 2.93Å; K152-F156 PolarHBondContact O-N 3.09Å; K152-L184 HydrophobicContact CD-CD2 4.41Å; K152-L184 HydrophobicContact CG-CD2 4.27Å
153Q90.4Very high87.4Confident123 Ų12362.5 Ų62.558%0.57530%0.299SS*.Hα-helixtrans-59.7-43177.1-74.1176.812.300111.5Q149 Q150 I151 F156 Q157Q149-Q153 WeakPolarHBondContact O-CB 3.5Å; Q149-Q153 VanDerWaalsContact O-CG 3.3Å; Q149-Q153 WeakPolarHBondContact O-CG 3.49Å; Q149-Q153 PolarHBondContact O-N 3.4Å; Q150-Q153 PolarHBondContact O-N 3.3Å; I151-Q153 PolarHBondContact O-N 3.03Å; Q153-F156 PolarHBondContact O-N 3.39Å; Q153-Q157 WeakPolarHBondContact O-CG 3.47Å; Q153-Q157 PolarHBondContact O-N 2.92Å; Q153-Q157 VanDerWaalsContact O-N 3.12Å
154M89.4Confident88Confident8 Ų861.9 Ų61.94%0.03930%0.297CS..Hα-helixtrans-61.6-45.8175.8-170.2-175.9-60.200111.7P63 I110 S111 N112 P133 Q150 I151 K152 F156 Q157 F158P63-M154 HydrophobicContact CG-CG 4Å; P63-M154 HydrophobicContact CG-SD 3.54Å; P63-M154 VanDerWaalsContact CG-SD 3.54Å; I110-M154 HydrophobicContact CB-CE 4.21Å; I110-M154 HydrophobicContact CD1-CE 3.81Å; I110-M154 HydrophobicContact CG1-CE 4.11Å; S111-M154 VanDerWaalsContact C-CE 3.45Å; S111-M154 VanDerWaalsContact O-CE 3.31Å; S111-M154 WeakPolarHBondContact O-CE 3.41Å; N112-M154 HydrophobicContact CB-CE 4.24Å; N112-M154 HydrophobicContact CB-CG 4.47Å; P133-M154 HydrophobicContact CG-SD 3.65Å; Q150-M154 WeakPolarHBondContact O-CB 3.48Å; Q150-M154 PolarHBondContact O-N 2.75Å; I151-M154 WeakPolarHBondContact O-CB 3.05Å; I151-M154 PolarHBondContact O-N 3.49Å; K152-M154 VanDerWaalsContact C-N 3.31Å; K152-M154 PolarHBondContact O-N 3.26Å; M154-F156 VanDerWaalsContact C-N 3.35Å; M154-F156 PolarHBondContact O-N 2.8Å; M154-Q157 WeakPolarHBondContact O-CB 3.33Å; M154-Q157 PolarHBondContact O-N 2.97Å; M154-F158 VanDerWaalsContact O-CD2 3.29Å; M154-F158 WeakPolarHBondContact O-CD2 3.31Å
155I92.2Very high88.6Confident1 Ų159.6 Ų59.61%0.00528%0.282CS..Hα-helixtrans-60.2-45.9176-67.6164.3000110.4V32 L132 L135 I151 K152 Q157 F158 I159 L184V32-I155 HydrophobicContact CG1-CD1 4.44Å; V32-I155 HydrophobicContact CG1-CG2 4.11Å; V32-I155 HydrophobicContact CG2-CG2 3.93Å; L132-I155 HydrophobicContact CB-CG1 4.2Å; L132-I155 HydrophobicContact CD1-CB 4.4Å; L132-I155 HydrophobicContact CD1-CG1 4.17Å; L132-I155 HydrophobicContact CD1-CG2 4.19Å; L135-I155 HydrophobicContact CD1-CD1 4.44Å; L135-I155 HydrophobicContact CD2-CD1 3.88Å; L135-I155 HydrophobicContact CG-CD1 3.96Å; I151-I155 HydrophobicContact CG2-CD1 3.75Å; I151-I155 HydrophobicContact CG2-CG1 4.35Å; I151-I155 VanDerWaalsContact O-CG1 3.32Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 3.1Å; K152-I155 PolarHBondContact O-N 3.12Å; I155-Q157 PolarHBondContact O-N 3.01Å; I155-F158 PolarHBondContact O-N 3.08Å; I155-I159 HydrophobicContact CG2-CD1 3.68Å; I155-I159 HydrophobicContact CG2-CG1 3.98Å; I155-I159 HydrophobicContact CG2-CG2 4.04Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 2.81Å; I155-L184 HydrophobicContact CB-CD1 4.44Å; I155-L184 HydrophobicContact CD1-CD1 3.87Å; I155-L184 HydrophobicContact CG2-CD1 3.95Å
156F92.6Very high89.2Confident25 Ų2552.5 Ų52.511%0.1124%0.239CC..Hα-helixtrans-61.8-27.5179.7-77.1-51.1000114K152 Q153 M154 F158 I159 R160 L184 E187 V188K152-F156 HydrophobicContact CB-CD2 4.44Å; K152-F156 HydrophobicContact CB-CE2 4.28Å; K152-F156 WeakPolarHBondContact O-CD2 3.45Å; K152-F156 WeakPolarHBondContact O-CG 2.93Å; K152-F156 PolarHBondContact O-N 3.09Å; Q153-F156 PolarHBondContact O-N 3.39Å; M154-F156 VanDerWaalsContact C-N 3.35Å; M154-F156 PolarHBondContact O-N 2.8Å; F156-F158 PolarHBondContact O-N 3.01Å; F156-I159 HydrophobicContact CD1-CD1 3.91Å; F156-I159 HydrophobicContact CD1-CG1 3.93Å; F156-I159 HydrophobicContact CE1-CD1 4.06Å; F156-R160 HydrophobicContact CB-CG 4.26Å; F156-R160 HydrophobicContact CD1-CG 4.24Å; F156-R160 WeakPolarHBondContact O-CB 3.48Å; F156-R160 VanDerWaalsContact O-CG 3.22Å; F156-R160 WeakPolarHBondContact O-CG 3.41Å; F156-R160 PolarHBondContact O-N 2.85Å; F156-R160 VanDerWaalsContact O-N 3.16Å; F156-L184 HydrophobicContact CE1-CD2 4.28Å; F156-L184 HydrophobicContact CE2-CD2 4.16Å; F156-L184 HydrophobicContact CZ-CD2 3.63Å; F156-E187 HydrophobicContact CE1-CB 4.49Å; F156-E187 VanDerWaalsContact CZ-OE2 3.25Å; F156-E187 WeakPolarHBondContact CZ-OE2 3.42Å; F156-V188 HydrophobicContact CD1-CG1 3.79Å; F156-V188 HydrophobicContact CE1-CG1 3.73Å
157Q88.4Confident89.6Confident100 Ų10049.6 Ų49.647%0.46722%0.224SC..Hα-helixtrans-60.7-30.6173.5-71.9174.80.400112.4Q153 M154 I155 K161Q153-Q157 WeakPolarHBondContact O-CG 3.47Å; Q153-Q157 PolarHBondContact O-N 2.92Å; Q153-Q157 VanDerWaalsContact O-N 3.12Å; M154-Q157 WeakPolarHBondContact O-CB 3.33Å; M154-Q157 PolarHBondContact O-N 2.97Å; I155-Q157 PolarHBondContact O-N 3.01Å; Q157-K161 WeakPolarHBondContact O-CE 3.37Å
158F88.4Confident90.1Very high29 Ų2949.5 Ų49.513%0.12722%0.223CC..Hα-helixtrans-92.5-52177.4-63.2-85.3000111.6A30 P63 I130 L132 M154 I155 F156 R160 K161 C164A30-F158 HydrophobicContact CB-CB 4.5Å; P63-F158 HydrophobicContact CB-CE2 4.04Å; P63-F158 HydrophobicContact CB-CZ 3.93Å; P63-F158 HydrophobicContact CG-CE2 3.87Å; P63-F158 HydrophobicContact CG-CZ 4.11Å; I130-F158 HydrophobicContact CD1-CD1 3.53Å; I130-F158 HydrophobicContact CD1-CE1 4.03Å; I130-F158 HydrophobicContact CD1-CG 4.35Å; I130-F158 HydrophobicContact CG2-CD1 4.29Å; I130-F158 HydrophobicContact CG2-CE1 4.22Å; L132-F158 HydrophobicContact CD1-CB 4.36Å; L132-F158 HydrophobicContact CD1-CD2 4.43Å; L132-F158 HydrophobicContact CD2-CD2 3.46Å; L132-F158 VanDerWaalsContact CD2-CD2 3.46Å; L132-F158 HydrophobicContact CD2-CE2 3.68Å; L132-F158 HydrophobicContact CD2-CG 4.11Å; L132-F158 HydrophobicContact CD2-CZ 4.47Å; M154-F158 VanDerWaalsContact O-CD2 3.29Å; M154-F158 WeakPolarHBondContact O-CD2 3.31Å; I155-F158 PolarHBondContact O-N 3.08Å; F156-F158 PolarHBondContact O-N 3.01Å; F158-R160 PolarHBondContact O-N 3.3Å; F158-K161 WeakPolarHBondContact O-CB 3.21Å; F158-K161 PolarHBondContact O-N 3.1Å; F158-C164 WeakPolarHBondContact O-CB 3.37Å
159I91.8Very high90.4Very high0 Ų046.8 Ų46.80%021%0.21CC..Hα-helixtrans-77.4-16.1-169.368.5169.3000114.9A30 V32 I155 F156 K161 I166 L184 V188 R194A30-I159 HydrophobicContact CB-CG2 4.04Å; V32-I159 HydrophobicContact CG2-CG2 3.77Å; I155-I159 HydrophobicContact CG2-CD1 3.68Å; I155-I159 HydrophobicContact CG2-CG1 3.98Å; I155-I159 HydrophobicContact CG2-CG2 4.04Å; I155-I159 WeakPolarHBondContact O-CG1 3.41Å; I155-I159 PolarHBondContact O-N 2.81Å; F156-I159 HydrophobicContact CD1-CD1 3.91Å; F156-I159 HydrophobicContact CD1-CG1 3.93Å; F156-I159 HydrophobicContact CE1-CD1 4.06Å; I159-K161 PolarHBondContact O-N 3.15Å; I159-I166 HydrophobicContact CB-CD1 4.01Å; I159-I166 HydrophobicContact CB-CG1 4.14Å; I159-I166 HydrophobicContact CG2-CD1 4.43Å; I159-I166 HydrophobicContact CG2-CG1 4.12Å; I159-L184 HydrophobicContact CD1-CB 4.18Å; I159-V188 HydrophobicContact CB-CG2 4.19Å; I159-V188 HydrophobicContact CD1-CG1 4.34Å; I159-V188 HydrophobicContact CD1-CG2 3.77Å; I159-V188 HydrophobicContact CG1-CG1 4.3Å; I159-V188 HydrophobicContact CG1-CG2 3.94Å; I159-R194 VanDerWaalsContact O-CZ 3.29Å; I159-R194 PolarHBondContact O-NH1 3.22Å; I159-R194 PolarHBondContact O-NH2 2.89Å
160R91.4Very high90.7Very high174 Ų17440.9 Ų40.966%0.65718%0.183SC*.THydrogen-bonded Turntrans-68.9-22172.9-77.4-179174.3179.9-0.6112.9F156 F158 E162 V188F156-R160 HydrophobicContact CB-CG 4.26Å; F156-R160 HydrophobicContact CD1-CG 4.24Å; F156-R160 WeakPolarHBondContact O-CB 3.48Å; F156-R160 VanDerWaalsContact O-CG 3.22Å; F156-R160 WeakPolarHBondContact O-CG 3.41Å; F156-R160 PolarHBondContact O-N 2.85Å; F156-R160 VanDerWaalsContact O-N 3.16Å; F158-R160 PolarHBondContact O-N 3.3Å; R160-E162 PolarHBondContact O-N 3.44Å; R160-V188 HydrophobicContact CG-CG1 3.91Å
161K87.2Confident90.9Very high70 Ų7038.8 Ų38.830%0.30418%0.175SC..SBendtrans-69.3124.4178.5-61.1178.2173.7-143.30109.5D25 Q157 F158 I159 T163 C164 R194D25-K161 VanDerWaalsContact OD1-CD 3.29Å; D25-K161 WeakPolarHBondContact OD1-CD 3.45Å; D25-K161 VanDerWaalsContact OD1-CE 3.27Å; D25-K161 WeakPolarHBondContact OD1-CE 3.44Å; D25-K161 IonicContact OD1-NZ 3.76Å; D25-K161 PolarHBondContact OD1-NZ 3.04Å; Q157-K161 WeakPolarHBondContact O-CE 3.37Å; F158-K161 WeakPolarHBondContact O-CB 3.21Å; F158-K161 PolarHBondContact O-N 3.1Å; I159-K161 PolarHBondContact O-N 3.15Å; K161-T163 PolarHBondContact O-N 3.29Å; K161-C164 HydrophobicContact CB-CB 4.23Å; K161-C164 WeakPolarHBondContact O-CB 3.42Å; K161-C164 PolarHBondContact O-N 2.84Å; K161-R194 PolarHBondContact O-NH1 2.94Å
162E85Confident90.9Very high164 Ų16439.3 Ų39.377%0.76618%0.179SC*.THydrogen-bonded Turntrans-62.2-26.2179.7-64.2-177.6167.800112.6R160 C164R160-E162 PolarHBondContact O-N 3.44Å; E162-C164 VanDerWaalsContact C-N 3.27Å; E162-C164 PolarHBondContact O-N 2.93Å
163T82.9Confident90.7Very high24 Ų2440.1 Ų40.115%0.14719%0.187CC..THydrogen-bonded Turntrans-79-6.517664.90000113.3D25 P27 K161 H283 T287D25-T163 VanDerWaalsContact C-OG1 3.3Å; D25-T163 HydrophobicContact CB-CG2 4.16Å; D25-T163 WeakPolarHBondContact CB-OG1 3.35Å; D25-T163 VanDerWaalsContact O-CB 3.23Å; D25-T163 WeakPolarHBondContact O-CB 3.05Å; D25-T163 VanDerWaalsContact O-CG2 3.24Å; D25-T163 WeakPolarHBondContact O-CG2 3.46Å; D25-T163 PolarHBondContact O-OG1 3Å; P27-T163 WeakPolarHBondContact CA-O 3.31Å; K161-T163 PolarHBondContact O-N 3.29Å; T163-H283 WeakPolarHBondContact CA-NE2 3.35Å; T163-H283 PolarHBondContact O-CD2 3.28Å; T163-H283 VanDerWaalsContact O-CD2 3.28Å; T163-H283 PolarHBondContact O-NE2 3.36Å; T163-T287 HydrophobicContact CG2-CG2 4.02Å
164C88.6Confident90.4Very high4 Ų437.4 Ų37.43%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-88.1123.9176.1-170.40000111.4A30 F158 K161 E162 R194A30-C164 WeakPolarHBondContact CB-SG 3.49Å; F158-C164 WeakPolarHBondContact O-CB 3.37Å; K161-C164 HydrophobicContact CB-CB 4.23Å; K161-C164 WeakPolarHBondContact O-CB 3.42Å; K161-C164 PolarHBondContact O-N 2.84Å; E162-C164 VanDerWaalsContact C-N 3.27Å; E162-C164 PolarHBondContact O-N 2.93Å; C164-R194 PolarHBondContact O-NH1 3.05Å
165L91.4Very high90Very high0 Ų041.5 Ų41.50%020%0.201CC..EExtended strand (participates in β ladder)trans-77.2138.6164.1-68.7174.5000109.4Q28 I29 A30 R194 Q279 L280 H283Q28-L165 PolarHBondContact O-N 2.97Å; I29-L165 WeakPolarHBondContact CA-O 3.31Å; I29-L165 HydrophobicContact CG1-CB 4.13Å; I29-L165 HydrophobicContact CG1-CD1 4.14Å; A30-L165 PolarHBondContact N-O 2.89Å; L165-R194 WeakPolarHBondContact CA-O 3.46Å; L165-R194 HydrophobicContact CD2-CB 4.01Å; L165-Q279 HydrophobicContact CD1-CB 4.43Å; L165-L280 HydrophobicContact CD1-CB 4.4Å; L165-L280 HydrophobicContact CD1-CD1 4.37Å; L165-H283 HydrophobicContact CD1-CB 4.05Å; L165-H283 HydrophobicContact CD2-CB 4.23Å; L165-H283 HydrophobicContact CG-CB 4.28Å
166I94.7Very high89.5Confident1 Ų141.8 Ų41.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-105.6118-178.9-54.6173.2000108.3V32 I159 A185 V188 D189 R194 T195 I196V32-I166 HydrophobicContact CB-CG2 4.5Å; V32-I166 HydrophobicContact CG2-CG2 4.19Å; I159-I166 HydrophobicContact CB-CD1 4.01Å; I159-I166 HydrophobicContact CB-CG1 4.14Å; I159-I166 HydrophobicContact CG2-CD1 4.43Å; I159-I166 HydrophobicContact CG2-CG1 4.12Å; I166-A185 HydrophobicContact CD1-CB 4.36Å; I166-A185 HydrophobicContact CG2-CB 4.08Å; I166-V188 HydrophobicContact CD1-CG2 3.57Å; I166-D189 HydrophobicContact CD1-CB 4.4Å; I166-R194 PolarHBondContact N-O 2.93Å; I166-T195 HydrophobicContact CB-CG2 4.42Å; I166-T195 HydrophobicContact CG2-CG2 4.45Å; I166-T195 CarbonylContact O-C 3.48Å; I166-T195 WeakPolarHBondContact O-CA 3.39Å; I166-I196 PolarHBondContact O-N 3.12Å
167L95Very high88.9Confident0 Ų043.9 Ų43.90%022%0.224CC..EExtended strand (participates in β ladder)trans-96.197.5170.8-167.665.2000108.9I29 A30 V31 V32 V169 I196 V198 L272 L276I29-L167 HydrophobicContact CG2-CB 3.9Å; A30-L167 PolarHBondContact O-N 3.49Å; V31-L167 HydrophobicContact CG1-CD2 4.45Å; V31-L167 HydrophobicContact CG2-CB 4.44Å; V31-L167 HydrophobicContact CG2-CD2 4.06Å; V32-L167 PolarHBondContact N-O 2.87Å; L167-V169 HydrophobicContact CG-CG2 4.39Å; L167-V169 PolarHBondContact O-N 3.44Å; L167-I196 HydrophobicContact CD1-CB 3.91Å; L167-I196 HydrophobicContact CD1-CG2 3.87Å; L167-V198 HydrophobicContact CD1-CG2 3.36Å; L167-V198 HydrophobicContact CD2-CG2 4.41Å; L167-V198 HydrophobicContact CG-CG2 3.89Å; L167-L272 HydrophobicContact CD1-CD1 4.5Å; L167-L276 HydrophobicContact CD1-CD2 3.77Å; L167-L276 HydrophobicContact CD2-CD1 4.16Å
168A95.2Very high88.7Confident0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-86.898.4-176.100000110.6A181 L182 T195 I196 V198A168-A181 HydrophobicContact CB-CB 4.08Å; A168-L182 HydrophobicContact CB-CD2 3.88Å; A168-L182 HydrophobicContact CB-CG 4.41Å; A168-T195 HydrophobicContact CB-CG2 4.05Å; A168-I196 PolarHBondContact N-O 2.93Å; A168-V198 PolarHBondContact O-N 3.37Å
169V94.9Very high88.6Confident1 Ų142.5 Ų42.51%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-89.3116.9-177.7-173.50000110.2V31 V32 A37 K39 L167 V198 T200V31-V169 HydrophobicContact CG1-CG2 3.64Å; V32-V169 PolarHBondContact O-N 3.44Å; A37-V169 HydrophobicContact CB-CG1 4.29Å; A37-V169 WeakPolarHBondContact O-CG1 3.35Å; K39-V169 HydrophobicContact CG-CB 4.19Å; K39-V169 HydrophobicContact CG-CG1 4.45Å; K39-V169 HydrophobicContact CG-CG2 4.33Å; L167-V169 HydrophobicContact CG-CG2 4.39Å; L167-V169 PolarHBondContact O-N 3.44Å; V169-V198 WeakPolarHBondContact CA-O 3.5Å; V169-V198 HydrophobicContact CG2-CB 4.36Å; V169-T200 HydrophobicContact CG1-CG2 3.55Å
170T93.8Very high88.5Confident2 Ų244.4 Ų44.41%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-128.3133-179-54.60000110L176 S179 V198 I199 T200T170-L176 HydrophobicContact CG2-CD1 4.23Å; T170-S179 WeakPolarHBondContact CG2-OG 3.36Å; T170-S179 PolarHBondContact OG1-OG 3.41Å; T170-V198 PolarHBondContact N-O 3.02Å; T170-I199 CarbonylContact O-C 3.54Å; T170-I199 VanDerWaalsContact O-CA 3.28Å; T170-I199 WeakPolarHBondContact O-CA 3.3Å; T170-T200 PolarHBondContact O-N 3.05Å
171P93.1Very high88.5Confident20 Ų2036.1 Ų36.113%0.1320%0.201CC..EExtended strand (participates in β ladder)trans-78.3142.4174.932.9-32.1000111.4N173 T174 T200 K201P171-N173 VanDerWaalsContact C-N 3.29Å; P171-N173 WeakPolarHBondContact CB-OD1 3.19Å; P171-N173 PolarHBondContact O-N 3.39Å; P171-T174 HydrophobicContact CG-CG2 3.92Å; P171-T174 WeakPolarHBondContact CG-OG1 3.25Å; P171-T174 PolarHBondContact O-N 3.19Å; P171-T174 PolarHBondContact O-OG1 3.01Å; P171-T200 CarbonylContact C-O 3.57Å; P171-T200 WeakPolarHBondContact CA-OG1 3.45Å; P171-K201 HydrophobicContact CB-CB 4.45Å; P171-K201 HydrophobicContact CB-CD 3.91Å; P171-K201 HydrophobicContact CB-CG 4.31Å
172A91.4Very high88.7Confident10 Ų1033.1 Ų33.18%0.08319%0.188CC..THydrogen-bonded Turntrans-69.7-25.1-174.400000113.8T174 I199 T200 L202 M205A172-T174 PolarHBondContact O-N 3.43Å; A172-I199 HydrophobicContact CB-CG2 3.67Å; A172-T200 VanDerWaalsContact CB-O 3.28Å; A172-T200 WeakPolarHBondContact CB-O 3.36Å; A172-T200 PolarHBondContact N-O 3.2Å; A172-L202 HydrophobicContact CB-CD2 3.58Å; A172-L202 HydrophobicContact CB-CG 4.01Å; A172-M205 HydrophobicContact CB-CG 3.8Å; A172-M205 HydrophobicContact CB-SD 3.71Å
173N87.1Confident89Confident87 Ų8729.5 Ų29.547%0.46517%0.17SC..THydrogen-bonded Turntrans-797.1177.972.2-26.8000113.5P171P171-N173 VanDerWaalsContact C-N 3.29Å; P171-N173 WeakPolarHBondContact CB-OD1 3.19Å; P171-N173 PolarHBondContact O-N 3.39Å
174T83.5Confident89.4Confident65 Ų6528.6 Ų28.640%0.39916%0.164SC..SBendtrans-120.3143.3173.862.10000109.9P171 A172 L176P171-T174 HydrophobicContact CG-CG2 3.92Å; P171-T174 WeakPolarHBondContact CG-OG1 3.25Å; P171-T174 PolarHBondContact O-N 3.19Å; P171-T174 PolarHBondContact O-OG1 3.01Å; A172-T174 PolarHBondContact O-N 3.43Å; T174-L176 PolarHBondContact O-N 3.04Å
175D81.9Confident89.7Confident95 Ų9528.5 Ų28.551%0.50816%0.164SC..  trans-60.1130.6175.317919.1000111.1A177 N178D175-A177 PolarHBondContact O-N 3.37Å; D175-A177 PolarHBondContact OD1-N 3.36Å; D175-N178 PolarHBondContact O-N 2.87Å
176L80.8Confident89.6Confident6 Ų632.8 Ų32.83%0.03118%0.182CC..G310 helixtrans-60.2-34.8-176.3-16671000111.9T170 T174 N178 S179 L182 I199 I214 L219 L220T170-L176 HydrophobicContact CG2-CD1 4.23Å; T174-L176 PolarHBondContact O-N 3.04Å; L176-N178 PolarHBondContact O-N 2.84Å; L176-S179 VanDerWaalsContact O-CB 3.28Å; L176-S179 WeakPolarHBondContact O-CB 3.32Å; L176-S179 PolarHBondContact O-N 3.44Å; L176-S179 VanDerWaalsContact O-N 3.07Å; L176-L182 HydrophobicContact CD1-CD1 3.33Å; L176-L182 HydrophobicContact CD2-CD1 4.46Å; L176-L182 HydrophobicContact CG-CD1 3.75Å; L176-I199 HydrophobicContact CD1-CD1 4.17Å; L176-I214 HydrophobicContact CB-CD1 4.07Å; L176-I214 HydrophobicContact CD1-CD1 4.39Å; L176-I214 HydrophobicContact CD1-CG2 4.1Å; L176-I214 HydrophobicContact CD2-CD1 4.26Å; L176-I214 HydrophobicContact CD2-CG1 4.08Å; L176-I214 HydrophobicContact CD2-CG2 3.86Å; L176-I214 HydrophobicContact CG-CD1 4.49Å; L176-L219 HydrophobicContact CB-CD2 4.14Å; L176-L219 HydrophobicContact CD2-CD2 3.92Å; L176-L219 HydrophobicContact CD2-CG 4.4Å; L176-L220 HydrophobicContact CD2-CB 3.74Å
177A79.5Confident89.5Confident69 Ų6939 Ų3957%0.5721%0.212SC*.G310 helixtrans-62.7-23.1178.400000112.6D175 K183D175-A177 PolarHBondContact O-N 3.37Å; D175-A177 PolarHBondContact OD1-N 3.36Å; A177-K183 WeakPolarHBondContact O-CE 3.37Å
178N84.1Confident89.4Confident93 Ų9340.6 Ų40.650%0.49722%0.221SC..G310 helixtrans-96.92.6178.6-70.5-48.4000113.9D175 L176 D180D175-N178 PolarHBondContact O-N 2.87Å; L176-N178 PolarHBondContact O-N 2.84Å; N178-D180 PolarHBondContact O-N 2.62Å
179S88.2Confident89.3Confident8 Ų841.1 Ų41.16%0.05622%0.224CC..  trans-64.7114178.2177.70000112T170 L176 A181 L182 K183T170-S179 WeakPolarHBondContact CG2-OG 3.36Å; T170-S179 PolarHBondContact OG1-OG 3.41Å; L176-S179 VanDerWaalsContact O-CB 3.28Å; L176-S179 WeakPolarHBondContact O-CB 3.32Å; L176-S179 PolarHBondContact O-N 3.44Å; L176-S179 VanDerWaalsContact O-N 3.07Å; S179-A181 PolarHBondContact O-N 3.23Å; S179-A181 PolarHBondContact OG-N 3.37Å; S179-L182 PolarHBondContact O-N 2.85Å; S179-L182 PolarHBondContact OG-N 3.01Å; S179-K183 WeakPolarHBondContact O-CG 3.35Å; S179-K183 PolarHBondContact O-N 3.39Å; S179-K183 VanDerWaalsContact O-N 3.12Å
180D88.4Confident89.1Confident39 Ų3945.4 Ų45.421%0.20925%0.251CS..Hα-helixtrans-64.7-29.4175.8-58.1-42.6000111.4L135 K137 N178 L184L135-D180 HydrophobicContact CD1-CB 3.56Å; K137-D180 WeakPolarHBondContact CE-OD1 3.38Å; K137-D180 VanDerWaalsContact CE-OD2 3.28Å; K137-D180 WeakPolarHBondContact CE-OD2 3.47Å; K137-D180 IonicContact NZ-OD1 3.73Å; K137-D180 PolarHBondContact NZ-OD1 2.85Å; K137-D180 IonicContact NZ-OD2 3.52Å; N178-D180 PolarHBondContact O-N 2.62Å; D180-L184 WeakPolarHBondContact O-CG 3.29Å; D180-L184 PolarHBondContact O-N 2.98Å; D180-L184 VanDerWaalsContact O-N 3.1Å
181A91.6Very high88.6Confident1 Ų152.5 Ų52.51%0.00829%0.285CS..Hα-helixtrans-63.4-46.6177.500000111.9A168 S179 A185A168-A181 HydrophobicContact CB-CB 4.08Å; S179-A181 PolarHBondContact O-N 3.23Å; S179-A181 PolarHBondContact OG-N 3.37Å; A181-A185 WeakPolarHBondContact O-CB 3.37Å; A181-A185 PolarHBondContact O-N 3.01Å
182L91.6Very high88.4Confident6 Ų651.7 Ų51.73%0.03128%0.28CS..Hα-helixtrans-75.7-31.5-178-69.1166.8000112A168 L176 S179 A185 K186 L220 L222 Y226A168-L182 HydrophobicContact CB-CD2 3.88Å; A168-L182 HydrophobicContact CB-CG 4.41Å; L176-L182 HydrophobicContact CD1-CD1 3.33Å; L176-L182 HydrophobicContact CD2-CD1 4.46Å; L176-L182 HydrophobicContact CG-CD1 3.75Å; S179-L182 PolarHBondContact O-N 2.85Å; S179-L182 PolarHBondContact OG-N 3.01Å; L182-A185 PolarHBondContact O-N 3.1Å; L182-K186 WeakPolarHBondContact O-CB 3.26Å; L182-K186 WeakPolarHBondContact O-CG 3.18Å; L182-K186 PolarHBondContact O-N 3.1Å; L182-L220 HydrophobicContact CB-CD2 4.32Å; L182-L220 HydrophobicContact CD1-CD2 3.97Å; L182-L220 HydrophobicContact CD2-CD2 4.43Å; L182-L220 HydrophobicContact CG-CD2 4.48Å; L182-L222 HydrophobicContact CD2-CD1 4.08Å; L182-Y226 HydrophobicContact CD1-CE1 4.4Å; L182-Y226 HydrophobicContact CD2-CE1 4.45Å
183K91Very high88.2Confident89 Ų8953 Ų5339%0.38729%0.287SS..Hα-helixtrans-60.7-52.6171.3-72.9174.1-176.5175.10110.9A177 S179 A185 K186 E187A177-K183 WeakPolarHBondContact O-CE 3.37Å; S179-K183 WeakPolarHBondContact O-CG 3.35Å; S179-K183 PolarHBondContact O-N 3.39Å; S179-K183 VanDerWaalsContact O-N 3.12Å; K183-A185 VanDerWaalsContact C-N 3.33Å; K183-A185 PolarHBondContact O-N 2.64Å; K183-K186 PolarHBondContact O-N 3.42Å; K183-E187 PolarHBondContact O-N 3.19Å; K183-E187 VanDerWaalsContact O-N 3.17Å
184L92.3Very high88.4Confident5 Ų550 Ų503%0.02627%0.269CS..Hα-helixtrans-61.1-40.9176.6-69.4-169.5000112.5V32 L135 K152 I155 F156 I159 D180 E187V32-L184 HydrophobicContact CG1-CD1 4.08Å; L135-L184 HydrophobicContact CD1-CD1 3.51Å; L135-L184 HydrophobicContact CD1-CG 4.13Å; L135-L184 HydrophobicContact CD2-CD1 4.23Å; L135-L184 HydrophobicContact CG-CD1 4.32Å; K152-L184 HydrophobicContact CD-CD2 4.41Å; K152-L184 HydrophobicContact CG-CD2 4.27Å; I155-L184 HydrophobicContact CB-CD1 4.44Å; I155-L184 HydrophobicContact CD1-CD1 3.87Å; I155-L184 HydrophobicContact CG2-CD1 3.95Å; F156-L184 HydrophobicContact CE1-CD2 4.28Å; F156-L184 HydrophobicContact CE2-CD2 4.16Å; F156-L184 HydrophobicContact CZ-CD2 3.63Å; I159-L184 HydrophobicContact CD1-CB 4.18Å; D180-L184 WeakPolarHBondContact O-CG 3.29Å; D180-L184 PolarHBondContact O-N 2.98Å; D180-L184 VanDerWaalsContact O-N 3.1Å; L184-E187 PolarHBondContact O-N 3.43Å
185A93.1Very high88.9Confident2 Ų246.9 Ų46.92%0.01725%0.25CS..Hα-helixtrans-62.6-44.3177.800000111.7I166 A181 L182 K183 E187 V188 D189 T195I166-A185 HydrophobicContact CD1-CB 4.36Å; I166-A185 HydrophobicContact CG2-CB 4.08Å; A181-A185 WeakPolarHBondContact O-CB 3.37Å; A181-A185 PolarHBondContact O-N 3.01Å; L182-A185 PolarHBondContact O-N 3.1Å; K183-A185 VanDerWaalsContact C-N 3.33Å; K183-A185 PolarHBondContact O-N 2.64Å; A185-E187 VanDerWaalsContact C-N 3.32Å; A185-E187 PolarHBondContact O-N 3.4Å; A185-V188 WeakPolarHBondContact O-CG2 3.27Å; A185-V188 PolarHBondContact O-N 3.04Å; A185-D189 WeakPolarHBondContact O-CA 3.38Å; A185-D189 WeakPolarHBondContact O-CB 3.33Å; A185-D189 PolarHBondContact O-N 3.34Å; A185-T195 HydrophobicContact CB-CG2 3.73Å
186K90.3Very high89.5Confident90 Ų9042.4 Ų42.439%0.39123%0.226SC..Hα-helixtrans-64.8-31.6178.6-83.2-174166.5-168.30114.1L182 K183 V188 P190L182-K186 WeakPolarHBondContact O-CB 3.26Å; L182-K186 WeakPolarHBondContact O-CG 3.18Å; L182-K186 PolarHBondContact O-N 3.1Å; K183-K186 PolarHBondContact O-N 3.42Å; K186-V188 PolarHBondContact O-N 2.74Å; K186-P190 WeakPolarHBondContact O-CA 3.41Å; K186-P190 WeakPolarHBondContact O-CG 3.35Å
187E92.4Very high90.2Very high132 Ų13242.1 Ų42.162%0.61723%0.225SC*.Hα-helixtrans-63.4-30.4176.3-74.1-179.3-147.100112.5F156 K183 L184 A185F156-E187 HydrophobicContact CE1-CB 4.49Å; F156-E187 VanDerWaalsContact CZ-OE2 3.25Å; F156-E187 WeakPolarHBondContact CZ-OE2 3.42Å; K183-E187 PolarHBondContact O-N 3.19Å; K183-E187 VanDerWaalsContact O-N 3.17Å; L184-E187 PolarHBondContact O-N 3.43Å; A185-E187 VanDerWaalsContact C-N 3.32Å; A185-E187 PolarHBondContact O-N 3.4Å
188V92.9Very high91Very high32 Ų3238.9 Ų38.919%0.19420%0.198CC..Hα-helixtrans-112.3-13.4-177.2-59.30000114.4F156 I159 R160 I166 A185 K186 R194F156-V188 HydrophobicContact CD1-CG1 3.79Å; F156-V188 HydrophobicContact CE1-CG1 3.73Å; I159-V188 HydrophobicContact CB-CG2 4.19Å; I159-V188 HydrophobicContact CD1-CG1 4.34Å; I159-V188 HydrophobicContact CD1-CG2 3.77Å; I159-V188 HydrophobicContact CG1-CG1 4.3Å; I159-V188 HydrophobicContact CG1-CG2 3.94Å; R160-V188 HydrophobicContact CG-CG1 3.91Å; I166-V188 HydrophobicContact CD1-CG2 3.57Å; A185-V188 WeakPolarHBondContact O-CG2 3.27Å; A185-V188 PolarHBondContact O-N 3.04Å; K186-V188 PolarHBondContact O-N 2.74Å; V188-R194 PolarHBondContact O-NH2 3.47Å
189D93.4Very high91.5Very high11 Ų1134.5 Ų34.56%0.05918%0.175CC..  trans-14269.8177.4-178.725000110.3I166 A185 Q191 G192 V193 R194 T195I166-D189 HydrophobicContact CD1-CB 4.4Å; A185-D189 WeakPolarHBondContact O-CA 3.38Å; A185-D189 WeakPolarHBondContact O-CB 3.33Å; A185-D189 PolarHBondContact O-N 3.34Å; D189-Q191 PolarHBondContact O-N 3.08Å; D189-Q191 VanDerWaalsContact O-N 3.16Å; D189-G192 PolarHBondContact O-N 2.97Å; D189-G192 PolarHBondContact OD1-N 3.27Å; D189-G192 VanDerWaalsContact OD2-CA 3.24Å; D189-G192 WeakPolarHBondContact OD2-CA 3.31Å; D189-V193 VanDerWaalsContact CG-N 3.34Å; D189-V193 PolarHBondContact OD1-N 3.11Å; D189-V193 PolarHBondContact OD2-N 3.31Å; D189-R194 HydrophobicContact CB-CG 4.07Å; D189-R194 VanDerWaalsContact OD2-CG 3.32Å; D189-R194 WeakPolarHBondContact OD2-CG 3.35Å; D189-R194 PolarHBondContact OD2-N 3.43Å; D189-T195 WeakPolarHBondContact OD2-CB 3.17Å; D189-T195 PolarHBondContact OD2-N 3.46Å; D189-T195 PolarHBondContact OD2-OG1 3.5Å
190P89.9Confident91.8Very high91 Ų9134.1 Ų34.159%0.59117%0.172SC*.THydrogen-bonded Turntrans-61.1-27-175.8-23.132.7000114.2K186K186-P190 WeakPolarHBondContact O-CA 3.41Å; K186-P190 WeakPolarHBondContact O-CG 3.35Å
191Q84.8Confident92Very high151 Ų15135 Ų3571%0.70617%0.174SC*.THydrogen-bonded Turntrans-88.6-3.9178.5-65.7-176.3-1.300113D189 V193D189-Q191 PolarHBondContact O-N 3.08Å; D189-Q191 VanDerWaalsContact O-N 3.16Å; Q191-V193 HydrophobicContact CB-CG2 3.68Å; Q191-V193 PolarHBondContact O-N 3.28Å
192G88.1Confident92Very high4 Ų435.1 Ų35.14%0.04117%0.174CC..  trans60.430.1-179.600000113.7D189 R223D189-G192 PolarHBondContact O-N 2.97Å; D189-G192 PolarHBondContact OD1-N 3.27Å; D189-G192 VanDerWaalsContact OD2-CA 3.24Å; D189-G192 WeakPolarHBondContact OD2-CA 3.31Å; G192-R223 WeakPolarHBondContact O-CB 3.45Å; G192-R223 PolarHBondContact O-N 2.83Å
193V87.6Confident91.9Very high38 Ų3837.9 Ų37.923%0.2319%0.189CC..SBendtrans-75.8-28.2-173.4176.10000111.9D189 Q191 R224D189-V193 VanDerWaalsContact CG-N 3.34Å; D189-V193 PolarHBondContact OD1-N 3.11Å; D189-V193 PolarHBondContact OD2-N 3.31Å; Q191-V193 HydrophobicContact CB-CG2 3.68Å; Q191-V193 PolarHBondContact O-N 3.28Å; V193-R224 VanDerWaalsContact O-CZ 3.26Å; V193-R224 PolarHBondContact O-NE 3.05Å; V193-R224 PolarHBondContact O-NH2 3.46Å
194R91.6Very high91.8Very high22 Ų2238.3 Ų38.38%0.08320%0.195CC..SBendtrans-123.512.1-177.160.1-174.5-177.9942.9112.6I159 K161 C164 L165 I166 V188 D189I159-R194 VanDerWaalsContact O-CZ 3.29Å; I159-R194 PolarHBondContact O-NH1 3.22Å; I159-R194 PolarHBondContact O-NH2 2.89Å; K161-R194 PolarHBondContact O-NH1 2.94Å; C164-R194 PolarHBondContact O-NH1 3.05Å; L165-R194 WeakPolarHBondContact CA-O 3.46Å; L165-R194 HydrophobicContact CD2-CB 4.01Å; I166-R194 PolarHBondContact N-O 2.93Å; V188-R194 PolarHBondContact O-NH2 3.47Å; D189-R194 HydrophobicContact CB-CG 4.07Å; D189-R194 VanDerWaalsContact OD2-CG 3.32Å; D189-R194 WeakPolarHBondContact OD2-CG 3.35Å; D189-R194 PolarHBondContact OD2-N 3.43Å
195T93.9Very high91.7Very high1 Ų139.9 Ų39.91%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-102.5129.8177.5-55.70000111.2I166 A168 A185 D189 L222I166-T195 HydrophobicContact CB-CG2 4.42Å; I166-T195 HydrophobicContact CG2-CG2 4.45Å; I166-T195 CarbonylContact O-C 3.48Å; I166-T195 WeakPolarHBondContact O-CA 3.39Å; A168-T195 HydrophobicContact CB-CG2 4.05Å; A185-T195 HydrophobicContact CB-CG2 3.73Å; D189-T195 WeakPolarHBondContact OD2-CB 3.17Å; D189-T195 PolarHBondContact OD2-N 3.46Å; D189-T195 PolarHBondContact OD2-OG1 3.5Å; T195-L222 HydrophobicContact CG2-CD1 4.15Å; T195-L222 HydrophobicContact CG2-CD2 4.14Å
196I94.6Very high91.4Very high1 Ų145.8 Ų45.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-114.6122175.4-56.6173.5000107.3I166 L167 A168 R224 L276 Q279I166-I196 PolarHBondContact O-N 3.12Å; L167-I196 HydrophobicContact CD1-CB 3.91Å; L167-I196 HydrophobicContact CD1-CG2 3.87Å; A168-I196 PolarHBondContact N-O 2.93Å; I196-R224 HydrophobicContact CG1-CB 3.83Å; I196-R224 HydrophobicContact CG1-CG 4.35Å; I196-L276 HydrophobicContact CD1-CD2 3.57Å; I196-L276 HydrophobicContact CG2-CD2 4.49Å; I196-Q279 HydrophobicContact CD1-CB 4.13Å; I196-Q279 HydrophobicContact CD1-CG 4.14Å
197G94.6Very high90.9Very high0 Ų051.2 Ų51.20%026%0.261CS..EExtended strand (participates in β ladder)trans-84131.3177.700000111.5G225 Y226 I227G197-G225 PolarHBondContact N-O 3.39Å; G197-G225 VanDerWaalsContact N-O 3.1Å; G197-Y226 CarbonylContact O-C 3.59Å; G197-Y226 VanDerWaalsContact O-CA 3.3Å; G197-Y226 WeakPolarHBondContact O-CA 3.46Å; G197-I227 PolarHBondContact O-N 2.86Å
198V95.8Very high90.3Very high0 Ų049.1 Ų49.10%028%0.275CS..EExtended strand (participates in β ladder)trans-121.2122.2171.8176.60000109V42 L167 A168 V169 T170 T200 I227 V229 L272V42-V198 HydrophobicContact CG2-CG1 4.36Å; L167-V198 HydrophobicContact CD1-CG2 3.36Å; L167-V198 HydrophobicContact CD2-CG2 4.41Å; L167-V198 HydrophobicContact CG-CG2 3.89Å; A168-V198 PolarHBondContact O-N 3.37Å; V169-V198 WeakPolarHBondContact CA-O 3.5Å; V169-V198 HydrophobicContact CG2-CB 4.36Å; T170-V198 PolarHBondContact N-O 3.02Å; V198-T200 HydrophobicContact CG1-CG2 4.13Å; V198-I227 WeakPolarHBondContact CA-O 3.43Å; V198-V229 HydrophobicContact CG1-CG1 4.43Å; V198-V229 HydrophobicContact CG1-CG2 3.78Å; V198-L272 HydrophobicContact CG1-CD2 4.16Å; V198-L272 HydrophobicContact CG2-CD1 3.83Å; V198-L272 HydrophobicContact CG2-CD2 3.93Å
199I95.2Very high90.1Very high2 Ų251.1 Ų51.11%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-103.8114.6179.2-52.7-57000108.9T170 A172 L176 L202 I214 L215 Y226 I227 G228 V229T170-I199 CarbonylContact O-C 3.54Å; T170-I199 VanDerWaalsContact O-CA 3.28Å; T170-I199 WeakPolarHBondContact O-CA 3.3Å; A172-I199 HydrophobicContact CB-CG2 3.67Å; L176-I199 HydrophobicContact CD1-CD1 4.17Å; I199-L202 HydrophobicContact CG2-CD2 3.82Å; I199-L202 HydrophobicContact CG2-CG 4.14Å; I199-I214 HydrophobicContact CD1-CG2 3.82Å; I199-I214 HydrophobicContact CG1-CG2 3.93Å; I199-L215 HydrophobicContact CB-CD2 4.16Å; I199-L215 HydrophobicContact CG1-CD2 4Å; I199-Y226 HydrophobicContact CD1-CD1 3.84Å; I199-Y226 HydrophobicContact CD1-CE1 4.32Å; I199-Y226 HydrophobicContact CG1-CD1 4.04Å; I199-I227 PolarHBondContact N-O 2.77Å; I199-G228 CarbonylContact O-C 3.54Å; I199-G228 WeakPolarHBondContact O-CA 3.5Å; I199-V229 PolarHBondContact O-N 3.14Å
200T94.4Very high89.9Confident0 Ų053.8 Ų53.80%030%0.301CS..EExtended strand (participates in β ladder)trans-102.8170.9-179.466.50000110.9A37 V42 V169 T170 P171 A172 V198 L202 V229A37-T200 WeakPolarHBondContact O-CG2 3.35Å; A37-T200 PolarHBondContact O-OG1 2.8Å; V42-T200 HydrophobicContact CG2-CG2 4.02Å; V169-T200 HydrophobicContact CG1-CG2 3.55Å; T170-T200 PolarHBondContact O-N 3.05Å; P171-T200 CarbonylContact C-O 3.57Å; P171-T200 WeakPolarHBondContact CA-OG1 3.45Å; A172-T200 VanDerWaalsContact CB-O 3.28Å; A172-T200 WeakPolarHBondContact CB-O 3.36Å; A172-T200 PolarHBondContact N-O 3.2Å; V198-T200 HydrophobicContact CG1-CG2 4.13Å; T200-L202 VanDerWaalsContact C-N 3.28Å; T200-L202 PolarHBondContact O-N 3.3Å; T200-V229 WeakPolarHBondContact CA-O 3.41Å; T200-V229 HydrophobicContact CG2-CG2 3.72Å
201K92.3Very high89.9Confident57 Ų5749.6 Ų49.625%0.24827%0.274CS..  trans58.633.1172.6-53.1-173.3-174.4-178.50114.9S36 P171 D203 L204S36-K201 WeakPolarHBondContact O-CE 3.33Å; S36-K201 PolarHBondContact O-NZ 3.3Å; P171-K201 HydrophobicContact CB-CB 4.45Å; P171-K201 HydrophobicContact CB-CD 3.91Å; P171-K201 HydrophobicContact CB-CG 4.31Å; K201-D203 WeakPolarHBondContact CA-OD1 3.24Å; K201-D203 PolarHBondContact O-N 2.97Å; K201-L204 HydrophobicContact CB-CB 4.41Å; K201-L204 HydrophobicContact CB-CD1 4.26Å; K201-L204 HydrophobicContact CD-CD1 4.22Å; K201-L204 HydrophobicContact CG-CD1 4.37Å; K201-L204 PolarHBondContact O-N 3.07Å; K201-L204 VanDerWaalsContact O-N 3.13Å
202L91.6Very high90.2Very high4 Ų447.2 Ų47.22%0.02126%0.259CS..G310 helixtrans-64.2-22.4177.1-72162.3000112.9A172 I199 T200 L204 M205 A211 L215 V230 F253 F254 Y260A172-L202 HydrophobicContact CB-CD2 3.58Å; A172-L202 HydrophobicContact CB-CG 4.01Å; I199-L202 HydrophobicContact CG2-CD2 3.82Å; I199-L202 HydrophobicContact CG2-CG 4.14Å; T200-L202 VanDerWaalsContact C-N 3.28Å; T200-L202 PolarHBondContact O-N 3.3Å; L202-L204 VanDerWaalsContact C-N 3.31Å; L202-M205 HydrophobicContact CD2-SD 4.08Å; L202-A211 HydrophobicContact CD2-CB 3.59Å; L202-L215 HydrophobicContact CD1-CD1 4.27Å; L202-L215 HydrophobicContact CD2-CD1 4.4Å; L202-V230 HydrophobicContact CB-CG2 4.29Å; L202-F253 HydrophobicContact CB-CE1 4.07Å; L202-F253 HydrophobicContact CB-CZ 4.21Å; L202-F254 HydrophobicContact CD1-CE1 3.83Å; L202-F254 HydrophobicContact CD1-CZ 3.98Å; L202-Y260 HydrophobicContact CD2-CE2 4.45Å
203D90Very high90.3Very high63 Ų6351.2 Ų51.234%0.33728%0.279SS..G310 helixtrans-76.1-14.8175.459.9-51.9000113.9K201 V230 F253K201-D203 WeakPolarHBondContact CA-OD1 3.24Å; K201-D203 PolarHBondContact O-N 2.97Å; D203-V230 HydrophobicContact CB-CG1 4.03Å; D203-F253 HydrophobicContact CB-CE2 4.14Å; D203-F253 HydrophobicContact CB-CZ 4.45Å
204L89.5Confident90.5Very high99 Ų9950.4 Ų50.452%0.51827%0.274SS..G310 helixtrans-107.619-178.3-58.8178.6000112.6K201 L202K201-L204 HydrophobicContact CB-CB 4.41Å; K201-L204 HydrophobicContact CB-CD1 4.26Å; K201-L204 HydrophobicContact CD-CD1 4.22Å; K201-L204 HydrophobicContact CG-CD1 4.37Å; K201-L204 PolarHBondContact O-N 3.07Å; K201-L204 VanDerWaalsContact O-N 3.13Å; L202-L204 VanDerWaalsContact C-N 3.31Å
205M89.9Confident90.4Very high38 Ų3850 Ų5019%0.18727%0.273CS..SBendtrans-76.7150.2173.2-65.9-169.370.300110.6A172 L202 D210 A211A172-M205 HydrophobicContact CB-CG 3.8Å; A172-M205 HydrophobicContact CB-SD 3.71Å; L202-M205 HydrophobicContact CD2-SD 4.08Å; M205-D210 VanDerWaalsContact CE-C 3.46Å; M205-A211 HydrophobicContact CE-CB 4.24Å; M205-A211 HydrophobicContact SD-CB 3.89Å
206D86.6Confident90.3Very high126 Ų12652.2 Ų52.267%0.67428%0.283SS*.PPolyproline II helixtrans-64.3139.9178.1-64.4-35.1000110.5G208 T209D206-G208 PolarHBondContact O-N 3Å; D206-T209 HydrophobicContact CB-CG2 4.34Å; D206-T209 PolarHBondContact N-OG1 2.82Å; D206-T209 PolarHBondContact O-N 3.31Å; D206-T209 PolarHBondContact O-OG1 2.84Å
207E80.3Confident90.1Very high203 Ų20354.2 Ų54.295%0.94929%0.294SS*.THydrogen-bonded Turntrans-56.4126.3178.9-70-168.7165.100110.9
208G80.3Confident89.8Confident89 Ų8959.5 Ų59.592%0.91832%0.317SS*.THydrogen-bonded Turntrans94.2-4.4-175.800000114.9D206D206-G208 PolarHBondContact O-N 3Å
209T87.2Confident89.2Confident73 Ų7363.6 Ų63.645%0.44834%0.339SS..  trans-106.8151.9170.868.60000111.6D206D206-T209 HydrophobicContact CB-CG2 4.34Å; D206-T209 PolarHBondContact N-OG1 2.82Å; D206-T209 PolarHBondContact O-N 3.31Å; D206-T209 PolarHBondContact O-OG1 2.84Å
210D89.1Confident88.7Confident67 Ų6765.3 Ų65.336%0.35835%0.347SS..  trans-147.4155171.871.254.3000112.4M205 R212 S259 Y260M205-D210 VanDerWaalsContact CE-C 3.46Å; D210-R212 VanDerWaalsContact C-N 3.31Å; D210-R212 WeakPolarHBondContact OD1-CB 3.41Å; D210-R212 PolarHBondContact OD1-N 3.35Å; D210-S259 VanDerWaalsContact OD2-CB 3.23Å; D210-S259 WeakPolarHBondContact OD2-CB 3.36Å; D210-S259 PolarHBondContact OD2-OG 3.01Å; D210-Y260 HydrophobicContact CB-CE1 4.4Å
211A91.3Very high88.4Confident3 Ų366.4 Ų66.43%0.02536%0.355CS..  trans-88.624.5173.900000114.2L202 M205 D213 I214 L215 Y260L202-A211 HydrophobicContact CD2-CB 3.59Å; M205-A211 HydrophobicContact CE-CB 4.24Å; M205-A211 HydrophobicContact SD-CB 3.89Å; A211-D213 PolarHBondContact O-N 3.3Å; A211-I214 HydrophobicContact CB-CB 4.49Å; A211-I214 HydrophobicContact CB-CD1 4.21Å; A211-I214 WeakPolarHBondContact O-CB 3.4Å; A211-I214 PolarHBondContact O-N 2.87Å; A211-L215 WeakPolarHBondContact O-CG 3.2Å; A211-L215 PolarHBondContact O-N 3.27Å; A211-Y260 PolarHBondContact N-OH 3.44Å
212R91.4Very high88.3Confident102 Ų10264.1 Ų64.139%0.38535%0.345SS..Hα-helixtrans-60.2-46.3-172.6-179.5-178.4174.1-178-0.6112.6D210 I214 L215 E216 Y260D210-R212 VanDerWaalsContact C-N 3.31Å; D210-R212 WeakPolarHBondContact OD1-CB 3.41Å; D210-R212 PolarHBondContact OD1-N 3.35Å; R212-I214 PolarHBondContact O-N 3.05Å; R212-L215 PolarHBondContact O-N 3.08Å; R212-E216 HydrophobicContact CG-CG 4.19Å; R212-E216 IonicContact CZ-OE1 3.29Å; R212-E216 IonicContact NE-OE1 2.98Å; R212-E216 PolarHBondContact NE-OE1 3.46Å; R212-E216 IonicContact NE-OE2 3.44Å; R212-E216 IonicContact NH2-OE1 3.95Å; R212-E216 PolarHBondContact NH2-OE1 2.66Å; R212-E216 WeakPolarHBondContact O-CB 3.28Å; R212-E216 WeakPolarHBondContact O-CG 3.4Å; R212-E216 PolarHBondContact O-N 2.91Å; R212-Y260 HydrophobicContact CB-CE1 4.43Å
213D89.4Confident88.1Confident87 Ų8766.8 Ų66.847%0.46536%0.355SS..Hα-helixtrans-66.3-24.8-178.6-72.2-33.2000113.1A211 K218 L219A211-D213 PolarHBondContact O-N 3.3Å; D213-K218 PolarHBondContact O-N 3.11Å; D213-K218 IonicContact OD1-NZ 2.66Å; D213-L219 PolarHBondContact O-N 2.95Å
214I90.8Very high88Confident22 Ų2265 Ų6511%0.11334%0.344CS..Hα-helixtrans-72.2-51.3172.5-54.9177.6000109.4L176 I199 A211 R212 E216 N217 L219 Y226L176-I214 HydrophobicContact CB-CD1 4.07Å; L176-I214 HydrophobicContact CD1-CD1 4.39Å; L176-I214 HydrophobicContact CD1-CG2 4.1Å; L176-I214 HydrophobicContact CD2-CD1 4.26Å; L176-I214 HydrophobicContact CD2-CG1 4.08Å; L176-I214 HydrophobicContact CD2-CG2 3.86Å; L176-I214 HydrophobicContact CG-CD1 4.49Å; I199-I214 HydrophobicContact CD1-CG2 3.82Å; I199-I214 HydrophobicContact CG1-CG2 3.93Å; A211-I214 HydrophobicContact CB-CB 4.49Å; A211-I214 HydrophobicContact CB-CD1 4.21Å; A211-I214 WeakPolarHBondContact O-CB 3.4Å; A211-I214 PolarHBondContact O-N 2.87Å; R212-I214 PolarHBondContact O-N 3.05Å; I214-E216 VanDerWaalsContact C-N 3.32Å; I214-E216 PolarHBondContact O-N 3.35Å; I214-N217 WeakPolarHBondContact O-CA 3.44Å; I214-N217 PolarHBondContact O-N 3.01Å; I214-L219 HydrophobicContact CD1-CD2 4.45Å; I214-L219 HydrophobicContact CG1-CD2 3.96Å; I214-Y226 HydrophobicContact CG2-CD1 4.05Å; I214-Y226 HydrophobicContact CG2-CD2 4.45Å; I214-Y226 HydrophobicContact CG2-CE1 4.25Å; I214-Y226 HydrophobicContact CG2-CG 4.16Å; I214-Y226 WeakPolarHBondContact O-CD2 3.25Å
215L91.3Very high88.2Confident12 Ų1261 Ų616%0.06333%0.326CS..Hα-helixtrans-68.4-28.9-178.5-64.6176.5000113.1I199 L202 A211 R212 N217 Y260 M263 L267I199-L215 HydrophobicContact CB-CD2 4.16Å; I199-L215 HydrophobicContact CG1-CD2 4Å; L202-L215 HydrophobicContact CD1-CD1 4.27Å; L202-L215 HydrophobicContact CD2-CD1 4.4Å; A211-L215 WeakPolarHBondContact O-CG 3.2Å; A211-L215 PolarHBondContact O-N 3.27Å; R212-L215 PolarHBondContact O-N 3.08Å; L215-N217 PolarHBondContact O-N 3.28Å; L215-Y260 HydrophobicContact CD1-CD1 3.95Å; L215-Y260 HydrophobicContact CD1-CE1 3.78Å; L215-M263 HydrophobicContact CB-CE 4.29Å; L215-M263 HydrophobicContact CB-SD 3.82Å; L215-M263 HydrophobicContact CD1-SD 4.35Å; L215-L267 HydrophobicContact CD1-CD1 4.19Å; L215-L267 HydrophobicContact CD1-CD2 4.04Å; L215-L267 HydrophobicContact CD2-CD2 4.02Å; L215-L267 HydrophobicContact CG-CD2 4.47Å
216E91.1Very high88.4Confident48 Ų4860 Ų6022%0.22432%0.32CS..THydrogen-bonded Turntrans-78.23.5170.7-69.8-175.5174.600112.9R212 I214 K218 H262 M263R212-E216 HydrophobicContact CG-CG 4.19Å; R212-E216 IonicContact CZ-OE1 3.29Å; R212-E216 IonicContact NE-OE1 2.98Å; R212-E216 PolarHBondContact NE-OE1 3.46Å; R212-E216 IonicContact NE-OE2 3.44Å; R212-E216 IonicContact NH2-OE1 3.95Å; R212-E216 PolarHBondContact NH2-OE1 2.66Å; R212-E216 WeakPolarHBondContact O-CB 3.28Å; R212-E216 WeakPolarHBondContact O-CG 3.4Å; R212-E216 PolarHBondContact O-N 2.91Å; I214-E216 VanDerWaalsContact C-N 3.32Å; I214-E216 PolarHBondContact O-N 3.35Å; E216-K218 VanDerWaalsContact C-N 3.26Å; E216-K218 HydrophobicContact CB-CD 4.28Å; E216-K218 HydrophobicContact CB-CG 4.15Å; E216-K218 PolarHBondContact O-N 2.74Å; E216-K218 WeakPolarHBondContact OE2-CE 3.43Å; E216-K218 IonicContact OE2-NZ 2.75Å; E216-K218 PolarHBondContact OE2-NZ 3.01Å; E216-H262 IonicContact OE1-CD2 2.65Å; E216-H262 IonicContact OE1-CE1 2.97Å; E216-H262 IonicContact OE1-NE2 3.61Å; E216-H262 PolarHBondContact OE1-NE2 2.97Å; E216-M263 HydrophobicContact CB-CE 4.41Å; E216-M263 HydrophobicContact CG-CE 3.35Å
217N90.7Very high88.8Confident43 Ų4354.2 Ų54.223%0.2329%0.289CS..THydrogen-bonded Turntrans61.329.9176.4-157.641.4000113.7I214 L215 P221 L222 Y226I214-N217 WeakPolarHBondContact O-CA 3.44Å; I214-N217 PolarHBondContact O-N 3.01Å; L215-N217 PolarHBondContact O-N 3.28Å; N217-P221 WeakPolarHBondContact OD1-CA 3.29Å; N217-L222 PolarHBondContact ND2-O 2.93Å; N217-L222 PolarHBondContact OD1-N 3.32Å; N217-Y226 HydrophobicContact CB-CD2 4.48Å; N217-Y226 WeakPolarHBondContact OD1-CD2 3.3Å; N217-Y226 VanDerWaalsContact OD1-CE2 3.26Å; N217-Y226 WeakPolarHBondContact OD1-CE2 3.23Å
218K87.4Confident89.5Confident111 Ų11144.5 Ų44.548%0.48324%0.244SC..  trans-92.5-40.6-177.3-64.6178-176.6163.60113D213 E216D213-K218 PolarHBondContact O-N 3.11Å; D213-K218 IonicContact OD1-NZ 2.66Å; E216-K218 VanDerWaalsContact C-N 3.26Å; E216-K218 HydrophobicContact CB-CD 4.28Å; E216-K218 HydrophobicContact CB-CG 4.15Å; E216-K218 PolarHBondContact O-N 2.74Å; E216-K218 WeakPolarHBondContact OE2-CE 3.43Å; E216-K218 IonicContact OE2-NZ 2.75Å; E216-K218 PolarHBondContact OE2-NZ 3.01Å
219L83.8Confident90.2Very high87 Ų8740.3 Ų40.346%0.45520%0.2SC..SBendtrans-71.4-56.5-172.8-175.865.8000112.4L176 D213 I214L176-L219 HydrophobicContact CB-CD2 4.14Å; L176-L219 HydrophobicContact CD2-CD2 3.92Å; L176-L219 HydrophobicContact CD2-CG 4.4Å; D213-L219 PolarHBondContact O-N 2.95Å; I214-L219 HydrophobicContact CD1-CD2 4.45Å; I214-L219 HydrophobicContact CG1-CD2 3.96Å
220L84.9Confident90.4Very high37 Ų3737.8 Ų37.819%0.19419%0.185CC..SBendtrans-129.891.3176-17971000109.6L176 L182 L222 Y226L176-L220 HydrophobicContact CD2-CB 3.74Å; L182-L220 HydrophobicContact CB-CD2 4.32Å; L182-L220 HydrophobicContact CD1-CD2 3.97Å; L182-L220 HydrophobicContact CD2-CD2 4.43Å; L182-L220 HydrophobicContact CG-CD2 4.48Å; L220-L222 PolarHBondContact O-N 3.5Å; L220-Y226 WeakPolarHBondContact O-CE2 3.38Å; L220-Y226 VanDerWaalsContact O-CZ 3.26Å; L220-Y226 PolarHBondContact O-OH 2.91Å
221P87Confident90.4Very high24 Ų2435.7 Ų35.716%0.15617%0.174CC..  trans-66.8129.9-170.521.8-30.8000113.5N217 V753N217-P221 WeakPolarHBondContact OD1-CA 3.29Å; P221-V753 HydrophobicContact CB-CB 3.84Å; P221-V753 HydrophobicContact CB-CG1 3.2Å; P221-V753 HydrophobicContact CB-CG2 4.25Å; P221-V753 HydrophobicContact CG-CB 4.36Å; P221-V753 HydrophobicContact CG-CG1 3.69Å
222L90.3Very high90.3Very high8 Ų836.6 Ų36.64%0.04218%0.176CC..  trans-110.9145.4166.7-64.2176000109.8L182 T195 N217 L220 R224 G225 Y226L182-L222 HydrophobicContact CD2-CD1 4.08Å; T195-L222 HydrophobicContact CG2-CD1 4.15Å; T195-L222 HydrophobicContact CG2-CD2 4.14Å; N217-L222 PolarHBondContact ND2-O 2.93Å; N217-L222 PolarHBondContact OD1-N 3.32Å; L220-L222 PolarHBondContact O-N 3.5Å; L222-R224 PolarHBondContact O-N 3.38Å; L222-G225 PolarHBondContact O-N 3.39Å; L222-G225 VanDerWaalsContact O-N 3.11Å; L222-Y226 HydrophobicContact CB-CE2 4.37Å; L222-Y226 HydrophobicContact CD1-CD1 4.33Å; L222-Y226 HydrophobicContact CD1-CE1 3.68Å; L222-Y226 HydrophobicContact CD1-CE2 4Å; L222-Y226 VanDerWaalsContact CD1-CZ 3.49Å; L222-Y226 HydrophobicContact CG-CE1 4.42Å; L222-Y226 HydrophobicContact CG-CE2 3.97Å
223R87.6Confident89.9Confident61 Ų6133.8 Ų33.823%0.2317%0.172CC..THydrogen-bonded Turntrans-65-29-179.9-165.4177-179.3-174.3-2.3112.5G192 P750G192-R223 WeakPolarHBondContact O-CB 3.45Å; G192-R223 PolarHBondContact O-N 2.83Å; R223-P750 PolarHBondContact NE-O 3.3Å; R223-P750 VanDerWaalsContact NE-O 3.16Å; R223-P750 PolarHBondContact NH2-O 3.46Å
224R89.4Confident89.4Confident26 Ų2634.9 Ų34.910%0.09818%0.175CC..THydrogen-bonded Turntrans-99.34.7176.9-55.3-174.2-170.7-117.93.8113.5V193 I196 L222V193-R224 VanDerWaalsContact O-CZ 3.26Å; V193-R224 PolarHBondContact O-NE 3.05Å; V193-R224 PolarHBondContact O-NH2 3.46Å; I196-R224 HydrophobicContact CG1-CB 3.83Å; I196-R224 HydrophobicContact CG1-CG 4.35Å; L222-R224 PolarHBondContact O-N 3.38Å
225G91.9Very high88.9Confident15 Ų1542.2 Ų42.216%0.15521%0.206CC..  trans68.5-169.3175.500000115G197 L222G197-G225 PolarHBondContact N-O 3.39Å; G197-G225 VanDerWaalsContact N-O 3.1Å; L222-G225 PolarHBondContact O-N 3.39Å; L222-G225 VanDerWaalsContact O-N 3.11Å
226Y93.9Very high88.5Confident15 Ų1543.7 Ų43.76%0.05921%0.214CC..EExtended strand (participates in β ladder)trans-117.7145.9178-66.4-91.1000111.1L182 G197 I199 I214 N217 L220 L222L182-Y226 HydrophobicContact CD1-CE1 4.4Å; L182-Y226 HydrophobicContact CD2-CE1 4.45Å; G197-Y226 CarbonylContact O-C 3.59Å; G197-Y226 VanDerWaalsContact O-CA 3.3Å; G197-Y226 WeakPolarHBondContact O-CA 3.46Å; I199-Y226 HydrophobicContact CD1-CD1 3.84Å; I199-Y226 HydrophobicContact CD1-CE1 4.32Å; I199-Y226 HydrophobicContact CG1-CD1 4.04Å; I214-Y226 HydrophobicContact CG2-CD1 4.05Å; I214-Y226 HydrophobicContact CG2-CD2 4.45Å; I214-Y226 HydrophobicContact CG2-CE1 4.25Å; I214-Y226 HydrophobicContact CG2-CG 4.16Å; I214-Y226 WeakPolarHBondContact O-CD2 3.25Å; N217-Y226 HydrophobicContact CB-CD2 4.48Å; N217-Y226 WeakPolarHBondContact OD1-CD2 3.3Å; N217-Y226 VanDerWaalsContact OD1-CE2 3.26Å; N217-Y226 WeakPolarHBondContact OD1-CE2 3.23Å; L220-Y226 WeakPolarHBondContact O-CE2 3.38Å; L220-Y226 VanDerWaalsContact O-CZ 3.26Å; L220-Y226 PolarHBondContact O-OH 2.91Å; L222-Y226 HydrophobicContact CB-CE2 4.37Å; L222-Y226 HydrophobicContact CD1-CD1 4.33Å; L222-Y226 HydrophobicContact CD1-CE1 3.68Å; L222-Y226 HydrophobicContact CD1-CE2 4Å; L222-Y226 VanDerWaalsContact CD1-CZ 3.49Å; L222-Y226 HydrophobicContact CG-CE1 4.42Å; L222-Y226 HydrophobicContact CG-CE2 3.97Å
227I95.7Very high87.9Confident5 Ų542.6 Ų42.63%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-127.7122175.2-57.4171.9000108.5G197 V198 I199 Y271 L272 V275G197-I227 PolarHBondContact O-N 2.86Å; V198-I227 WeakPolarHBondContact CA-O 3.43Å; I199-I227 PolarHBondContact N-O 2.77Å; I227-Y271 HydrophobicContact CD1-CD1 4.05Å; I227-Y271 HydrophobicContact CD1-CE1 4.02Å; I227-Y271 HydrophobicContact CG1-CD1 4.24Å; I227-Y271 HydrophobicContact CG1-CE1 4.14Å; I227-Y271 HydrophobicContact CG2-CD1 4.07Å; I227-L272 HydrophobicContact CB-CD1 4.21Å; I227-L272 HydrophobicContact CD1-CD1 3.64Å; I227-L272 HydrophobicContact CG1-CD1 4.48Å; I227-L272 HydrophobicContact CG2-CB 3.97Å; I227-L272 HydrophobicContact CG2-CD1 4.33Å; I227-V275 HydrophobicContact CD1-CB 3.84Å; I227-V275 HydrophobicContact CD1-CG1 3.89Å; I227-V275 HydrophobicContact CD1-CG2 3.95Å
228G94.9Very high87.3Confident0 Ų047.1 Ų47.10%023%0.229CC..EExtended strand (participates in β ladder)trans-83.1136.7175.300000111.4I199 F254 L267 G268I199-G228 CarbonylContact O-C 3.54Å; I199-G228 WeakPolarHBondContact O-CA 3.5Å; G228-F254 WeakPolarHBondContact O-CZ 3.17Å; G228-L267 VanDerWaalsContact N-CD2 3.29Å; G228-G268 WeakPolarHBondContact O-CA 3.18Å; G228-G268 PolarHBondContact O-N 3.49Å
229V94.8Very high86.9Confident0 Ų044.8 Ų44.80%024%0.236CC..  trans-134.2145.5175.7-60.70000110.8V42 V198 I199 T200 E250 L272V42-V229 HydrophobicContact CG2-CG2 4.1Å; V198-V229 HydrophobicContact CG1-CG1 4.43Å; V198-V229 HydrophobicContact CG1-CG2 3.78Å; I199-V229 PolarHBondContact O-N 3.14Å; T200-V229 WeakPolarHBondContact CA-O 3.41Å; T200-V229 HydrophobicContact CG2-CG2 3.72Å; V229-E250 WeakPolarHBondContact CA-OE1 3.18Å; V229-L272 HydrophobicContact CG1-CB 4.45Å; V229-L272 HydrophobicContact CG1-CD2 3.84Å
230V92.6Very high86.7Confident20 Ų2051.1 Ų51.112%0.12125%0.254CS..  trans-116.4117.3174.1-179.90000108L202 D203 E250 F253 F254L202-V230 HydrophobicContact CB-CG2 4.29Å; D203-V230 HydrophobicContact CB-CG1 4.03Å; V230-E250 HydrophobicContact CB-CB 4.37Å; V230-E250 HydrophobicContact CB-CG 4.09Å; V230-E250 PolarHBondContact N-OE1 3.39Å; V230-F253 HydrophobicContact CG2-CD1 3.56Å; V230-F253 HydrophobicContact CG2-CE1 3.71Å; V230-F253 HydrophobicContact CG2-CG 4.24Å; V230-F253 HydrophobicContact CG2-CZ 4.49Å; V230-F254 HydrophobicContact CG2-CE2 4.22Å; V230-F254 HydrophobicContact CG2-CZ 3.91Å
231N89.5Confident86.5Confident23 Ų2352.1 Ų52.112%0.12326%0.257CS..PPolyproline II helixtrans-97165.8-176.1-63.5-27.8000110.6S41 N45 S233S41-N231 WeakPolarHBondContact CB-ND2 3.41Å; N45-N231 PolarHBondContact ND2-OD1 3.37Å; N231-S233 PolarHBondContact O-N 3.29Å
232R87.3Confident86.3Confident22 Ų2254.5 Ų54.58%0.08327%0.268CS..PPolyproline II helixtrans-60.1133.4169.4-72.6-179.8-74.7157.410.2109.9D50 D236 I237 K241 A246D50-R232 VanDerWaalsContact CG-NH2 3.3Å; D50-R232 IonicContact OD1-CZ 2.92Å; D50-R232 IonicContact OD1-NH1 2.81Å; D50-R232 IonicContact OD1-NH2 2.71Å; D50-R232 PolarHBondContact OD1-NH2 3.3Å; D50-R232 IonicContact OD2-CZ 2.94Å; D50-R232 IonicContact OD2-NH1 3.8Å; D50-R232 PolarHBondContact OD2-NH1 3.42Å; D50-R232 IonicContact OD2-NH2 3.29Å; D50-R232 PolarHBondContact OD2-NH2 3.34Å; R232-D236 HydrophobicContact CB-CB 3.88Å; R232-D236 HydrophobicContact CG-CB 4.24Å; R232-I237 HydrophobicContact CB-CG1 3.97Å; R232-K241 WeakPolarHBondContact CD-O 3.47Å; R232-K241 PolarHBondContact NH1-O 2.93Å; R232-K241 VanDerWaalsContact NH1-O 3.15Å; R232-A246 HydrophobicContact CG-CB 3.47Å; R232-A246 VanDerWaalsContact CG-CB 3.47Å
233S83.2Confident85.8Confident43 Ų4354.7 Ų54.730%0.30127%0.269SS..PPolyproline II helixtrans-70.5165.8172.3700000110.9N231 K235 D236 I237N231-S233 PolarHBondContact O-N 3.29Å; S233-K235 PolarHBondContact O-N 3.05Å; S233-D236 WeakPolarHBondContact CB-OD2 3.38Å; S233-D236 PolarHBondContact N-OD2 2.93Å; S233-D236 WeakPolarHBondContact O-CB 3.18Å; S233-D236 PolarHBondContact O-N 2.75Å; S233-D236 PolarHBondContact OG-N 2.99Å; S233-D236 PolarHBondContact OG-OD2 3.06Å; S233-I237 WeakPolarHBondContact O-CG1 3.47Å; S233-I237 PolarHBondContact O-N 3.36Å
234Q79.4Confident85.5Confident110 Ų11057.5 Ų57.551%0.51429%0.285SS..Hα-helixtrans-57.1-37.5176-17359.131.500112I237 E238Q234-I237 PolarHBondContact O-N 3.43Å; Q234-E238 WeakPolarHBondContact CG-OE1 3.5Å; Q234-E238 PolarHBondContact NE2-OE1 3.43Å; Q234-E238 WeakPolarHBondContact O-CG 3.38Å; Q234-E238 PolarHBondContact O-N 3.04Å
235K81Confident85.4Confident176 Ų17662 Ų6277%0.76531%0.307SS*.Hα-helixtrans-65.7-39.8174.2-67.9-177.3178.4179.30112.5S233 I237 G239S233-K235 PolarHBondContact O-N 3.05Å; K235-I237 VanDerWaalsContact C-N 3.29Å; K235-I237 PolarHBondContact O-N 2.71Å; K235-G239 PolarHBondContact O-N 2.84Å
236D82Confident85.1Confident43 Ų4362 Ų6223%0.2331%0.305CS..Hα-helixtrans-65.5-34.9176.1-66.5-58.7000111.5R232 S233 G239 R240 K241R232-D236 HydrophobicContact CB-CB 3.88Å; R232-D236 HydrophobicContact CG-CB 4.24Å; S233-D236 WeakPolarHBondContact CB-OD2 3.38Å; S233-D236 PolarHBondContact N-OD2 2.93Å; S233-D236 WeakPolarHBondContact O-CB 3.18Å; S233-D236 PolarHBondContact O-N 2.75Å; S233-D236 PolarHBondContact OG-N 2.99Å; S233-D236 PolarHBondContact OG-OD2 3.06Å; D236-G239 CarbonylContact O-C 3.58Å; D236-R240 PolarHBondContact O-N 3.13Å; D236-K241 HydrophobicContact CB-CB 3.97Å; D236-K241 HydrophobicContact CB-CD 3.76Å; D236-K241 VanDerWaalsContact O-CB 3.27Å; D236-K241 WeakPolarHBondContact O-CB 3.25Å; D236-K241 PolarHBondContact O-N 3.21Å; D236-K241 WeakPolarHBondContact OD1-CD 3.48Å; D236-K241 IonicContact OD1-NZ 2.75Å; D236-K241 PolarHBondContact OD1-NZ 2.85Å; D236-K241 IonicContact OD2-NZ 3.77Å
237I78.9Confident84.8Confident25 Ų2563.3 Ų63.313%0.12831%0.313CS..Hα-helixtrans-70.8-47.5178.1-66.2162000110.5R232 S233 Q234 K235 G239 R240R232-I237 HydrophobicContact CB-CG1 3.97Å; S233-I237 WeakPolarHBondContact O-CG1 3.47Å; S233-I237 PolarHBondContact O-N 3.36Å; Q234-I237 PolarHBondContact O-N 3.43Å; K235-I237 VanDerWaalsContact C-N 3.29Å; K235-I237 PolarHBondContact O-N 2.71Å; I237-G239 VanDerWaalsContact C-N 3.28Å; I237-G239 PolarHBondContact O-N 3.32Å; I237-R240 WeakPolarHBondContact O-CA 3.36Å; I237-R240 PolarHBondContact O-N 2.95Å
238E77.9Confident84.4Confident139 Ų13966.1 Ų66.165%0.6534%0.336SS*.Hα-helixtrans-61.4-38.6175.1-74.2166.2-163.500111.7Q234 R240Q234-E238 WeakPolarHBondContact CG-OE1 3.5Å; Q234-E238 PolarHBondContact NE2-OE1 3.43Å; Q234-E238 WeakPolarHBondContact O-CG 3.38Å; Q234-E238 PolarHBondContact O-N 3.04Å; E238-R240 PolarHBondContact O-N 3.37Å
239G79.7Confident84.2Confident61 Ų6168 Ų6863%0.62935%0.353SS*.THydrogen-bonded Turntrans-74.33.9172.900000114.9K235 D236 I237 K241K235-G239 PolarHBondContact O-N 2.84Å; D236-G239 CarbonylContact O-C 3.58Å; I237-G239 VanDerWaalsContact C-N 3.28Å; I237-G239 PolarHBondContact O-N 3.32Å; G239-K241 PolarHBondContact O-N 3.5Å; G239-K241 VanDerWaalsContact O-N 3.16Å
240R79.5Confident84.1Confident221 Ų22168.2 Ų68.283%0.83435%0.354SS*.THydrogen-bonded Turntrans4840.3-177.5-62.9-176.1176.6176.5-2.3113.3D236 I237 E238 D242D236-R240 PolarHBondContact O-N 3.13Å; I237-R240 WeakPolarHBondContact O-CA 3.36Å; I237-R240 PolarHBondContact O-N 2.95Å; E238-R240 PolarHBondContact O-N 3.37Å; R240-D242 PolarHBondContact O-N 2.93Å
241K81.1Confident84.1Confident58 Ų5872.2 Ų72.225%0.25237%0.366SS..  trans-58128.1176.3-175.6176.4-174.1176.80109.7R232 D236 G239 Q245R232-K241 WeakPolarHBondContact CD-O 3.47Å; R232-K241 PolarHBondContact NH1-O 2.93Å; R232-K241 VanDerWaalsContact NH1-O 3.15Å; D236-K241 HydrophobicContact CB-CB 3.97Å; D236-K241 HydrophobicContact CB-CD 3.76Å; D236-K241 VanDerWaalsContact O-CB 3.27Å; D236-K241 WeakPolarHBondContact O-CB 3.25Å; D236-K241 PolarHBondContact O-N 3.21Å; D236-K241 WeakPolarHBondContact OD1-CD 3.48Å; D236-K241 IonicContact OD1-NZ 2.75Å; D236-K241 PolarHBondContact OD1-NZ 2.85Å; D236-K241 IonicContact OD2-NZ 3.77Å; G239-K241 PolarHBondContact O-N 3.5Å; G239-K241 VanDerWaalsContact O-N 3.16Å; K241-Q245 HydrophobicContact CG-CB 4.4Å
242D82.5Confident84.3Confident74 Ų7478.4 Ų78.440%0.39639%0.392SS..  trans-63.1144.9-179.3-179.168.1000111.5R240 H244 Q245 A246R240-D242 PolarHBondContact O-N 2.93Å; D242-H244 VanDerWaalsContact C-N 3.35Å; D242-H244 PolarHBondContact O-N 3.48Å; D242-H244 VanDerWaalsContact OD2-CB 3.25Å; D242-H244 WeakPolarHBondContact OD2-CB 3.44Å; D242-H244 IonicContact OD2-CD2 2.67Å; D242-H244 IonicContact OD2-CG 2.92Å; D242-H244 PolarHBondContact OD2-N 3.46Å; D242-Q245 HydrophobicContact CB-CB 4.4Å; D242-Q245 HydrophobicContact CB-CG 4.1Å; D242-Q245 WeakPolarHBondContact O-CB 3.44Å; D242-Q245 PolarHBondContact O-N 3.32Å; D242-A246 PolarHBondContact O-N 2.8Å
243I79.1Confident84.6Confident11 Ų1179.3 Ų79.36%0.05640%0.397CS..Hα-helixtrans-69.8-32.2-174.3-155.5138.6000112.1G48 Q245 A246 L247G48-I243 WeakPolarHBondContact O-CG2 3.47Å; I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.36Å; I243-A246 WeakPolarHBondContact O-CB 3.44Å; I243-A246 PolarHBondContact O-N 3.4Å; I243-L247 WeakPolarHBondContact O-CG 3.39Å; I243-L247 PolarHBondContact O-N 2.53Å
244H82.2Confident85.2Confident121 Ų12177.3 Ų77.356%0.5638%0.383SS*.Hα-helixtrans-67.8-37.4175.4-64.9-80.3000110.7D242 A246 L247 A248D242-H244 VanDerWaalsContact C-N 3.35Å; D242-H244 PolarHBondContact O-N 3.48Å; D242-H244 VanDerWaalsContact OD2-CB 3.25Å; D242-H244 WeakPolarHBondContact OD2-CB 3.44Å; D242-H244 IonicContact OD2-CD2 2.67Å; D242-H244 IonicContact OD2-CG 2.92Å; D242-H244 PolarHBondContact OD2-N 3.46Å; H244-A246 VanDerWaalsContact C-N 3.31Å; H244-L247 PolarHBondContact O-N 2.8Å; H244-A248 WeakPolarHBondContact O-CB 3.28Å; H244-A248 PolarHBondContact O-N 3.31Å
245Q86.1Confident85.9Confident121 Ų12175.6 Ų75.657%0.56538%0.377SS*.Hα-helixtrans-65.2-36.3172.2-64-179.2-300111.7K241 D242 I243 A248 A249K241-Q245 HydrophobicContact CG-CB 4.4Å; D242-Q245 HydrophobicContact CB-CB 4.4Å; D242-Q245 HydrophobicContact CB-CG 4.1Å; D242-Q245 WeakPolarHBondContact O-CB 3.44Å; D242-Q245 PolarHBondContact O-N 3.32Å; I243-Q245 VanDerWaalsContact C-N 3.32Å; I243-Q245 PolarHBondContact O-N 3.36Å; Q245-A248 PolarHBondContact O-N 2.85Å; Q245-A249 WeakPolarHBondContact O-CB 3.31Å; Q245-A249 PolarHBondContact O-N 3.42Å
246A86.1Confident86.4Confident13 Ų1371.1 Ų71.111%0.10737%0.367CS..Hα-helixtrans-65.7-44.4174.700000112.4R232 D242 I243 H244 A248 A249 E250R232-A246 HydrophobicContact CG-CB 3.47Å; R232-A246 VanDerWaalsContact CG-CB 3.47Å; D242-A246 PolarHBondContact O-N 2.8Å; I243-A246 WeakPolarHBondContact O-CB 3.44Å; I243-A246 PolarHBondContact O-N 3.4Å; H244-A246 VanDerWaalsContact C-N 3.31Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 3.5Å; A246-A249 PolarHBondContact O-N 2.84Å; A246-E250 WeakPolarHBondContact O-CB 3.42Å; A246-E250 PolarHBondContact O-N 3.26Å
247L86.6Confident86.9Confident44 Ų4471.4 Ų71.423%0.2337%0.367CS..Hα-helixtrans-63.8-38.2175.4-67.2174.3000112.1I243 H244 E250 R251 T269 P270I243-L247 WeakPolarHBondContact O-CG 3.39Å; I243-L247 PolarHBondContact O-N 2.53Å; H244-L247 PolarHBondContact O-N 2.8Å; L247-E250 PolarHBondContact O-N 3.28Å; L247-R251 WeakPolarHBondContact O-CB 3.4Å; L247-R251 PolarHBondContact O-N 3.28Å; L247-T269 HydrophobicContact CD2-CG2 4.11Å; L247-P270 HydrophobicContact CD2-CG 4.25Å
248A88.6Confident87.4Confident63 Ų6375.7 Ų75.752%0.52140%0.397SS..Hα-helixtrans-65.5-40.5173.800000111.8H244 Q245 A246 R251 K252H244-A248 WeakPolarHBondContact O-CB 3.28Å; H244-A248 PolarHBondContact O-N 3.31Å; Q245-A248 PolarHBondContact O-N 2.85Å; A246-A248 VanDerWaalsContact C-N 3.34Å; A246-A248 PolarHBondContact O-N 3.5Å; A248-R251 PolarHBondContact O-N 2.68Å; A248-K252 WeakPolarHBondContact O-CB 3.43Å; A248-K252 PolarHBondContact O-N 2.93Å
249A89.9Confident88.1Confident41 Ų4170.2 Ų70.234%0.33937%0.374SS..Hα-helixtrans-65.6-41.8175.100000112.1Q245 A246 K252 F253Q245-A249 WeakPolarHBondContact O-CB 3.31Å; Q245-A249 PolarHBondContact O-N 3.42Å; A246-A249 PolarHBondContact O-N 2.84Å; A249-K252 PolarHBondContact O-N 3.45Å; A249-F253 WeakPolarHBondContact O-CB 3.34Å; A249-F253 PolarHBondContact O-N 3.16Å
250E93.4Very high88.8Confident4 Ų467.4 Ų67.42%0.01934%0.344CS..Hα-helixtrans-58.1-49.1173.6175.9179.5-130.800110.8V229 V230 A246 L247 K252 F253 F254 G268 T269V229-E250 WeakPolarHBondContact CA-OE1 3.18Å; V230-E250 HydrophobicContact CB-CB 4.37Å; V230-E250 HydrophobicContact CB-CG 4.09Å; V230-E250 PolarHBondContact N-OE1 3.39Å; A246-E250 WeakPolarHBondContact O-CB 3.42Å; A246-E250 PolarHBondContact O-N 3.26Å; L247-E250 PolarHBondContact O-N 3.28Å; E250-K252 VanDerWaalsContact C-N 3.33Å; E250-K252 PolarHBondContact O-N 3.39Å; E250-F253 WeakPolarHBondContact O-CB 3.19Å; E250-F253 PolarHBondContact O-N 3.39Å; E250-F254 HydrophobicContact CG-CD2 3.88Å; E250-F254 HydrophobicContact CG-CE2 3.52Å; E250-F254 WeakPolarHBondContact O-CD2 3.34Å; E250-F254 PolarHBondContact O-N 2.91Å; E250-F254 VanDerWaalsContact O-N 3.13Å; E250-G268 VanDerWaalsContact CD-CA 3.49Å; E250-G268 WeakPolarHBondContact OE1-CA 3.3Å; E250-T269 VanDerWaalsContact CD-N 3.32Å; E250-T269 PolarHBondContact OE1-N 2.78Å; E250-T269 VanDerWaalsContact OE1-N 3.13Å; E250-T269 PolarHBondContact OE1-OG1 3.42Å; E250-T269 WeakPolarHBondContact OE2-CB 3.3Å; E250-T269 PolarHBondContact OE2-N 2.66Å; E250-T269 PolarHBondContact OE2-OG1 3.16Å
251R91.8Very high89.4Confident103 Ų10365.2 Ų65.239%0.38934%0.336SS..Hα-helixtrans-62.2-41.6177.7-176.959.7175-176.71.5111.8L247 A248 F254 L255 A264 D265L247-R251 WeakPolarHBondContact O-CB 3.4Å; L247-R251 PolarHBondContact O-N 3.28Å; A248-R251 PolarHBondContact O-N 2.68Å; R251-F254 PolarHBondContact O-N 2.92Å; R251-L255 HydrophobicContact CG-CD1 4.04Å; R251-L255 WeakPolarHBondContact O-CG 3.48Å; R251-L255 PolarHBondContact O-N 3.44Å; R251-L255 VanDerWaalsContact O-N 3.14Å; R251-A264 PolarHBondContact NH1-O 2.95Å; R251-D265 IonicContact CZ-OD1 2.64Å; R251-D265 VanDerWaalsContact CZ-OD1 3.29Å; R251-D265 IonicContact NH1-OD1 3.52Å; R251-D265 PolarHBondContact NH1-OD1 3.04Å; R251-D265 IonicContact NH2-OD1 3.76Å; R251-D265 PolarHBondContact NH2-OD1 3.37Å
252K93.7Very high89.9Confident154 Ų15467.3 Ų67.367%0.6735%0.346SS*.Hα-helixtrans-60.5-46.6176.1-174.4179.7178.6-177.40110.9A248 A249 E250 F254 L255 S256A248-K252 WeakPolarHBondContact O-CB 3.43Å; A248-K252 PolarHBondContact O-N 2.93Å; A249-K252 PolarHBondContact O-N 3.45Å; E250-K252 VanDerWaalsContact C-N 3.33Å; E250-K252 PolarHBondContact O-N 3.39Å; K252-F254 PolarHBondContact O-N 3.46Å; K252-L255 PolarHBondContact O-N 2.87Å; K252-S256 WeakPolarHBondContact O-CB 3.43Å; K252-S256 PolarHBondContact O-N 3.23Å; K252-S256 PolarHBondContact O-OG 3.01Å
253F94Very high90.3Very high41 Ų4164 Ų6418%0.1833%0.329CS..Hα-helixtrans-53.9-53.7177.6171.3-95.1000111.5L202 D203 V230 A249 E250 L255 S256 H257 Y260L202-F253 HydrophobicContact CB-CE1 4.07Å; L202-F253 HydrophobicContact CB-CZ 4.21Å; D203-F253 HydrophobicContact CB-CE2 4.14Å; D203-F253 HydrophobicContact CB-CZ 4.45Å; V230-F253 HydrophobicContact CG2-CD1 3.56Å; V230-F253 HydrophobicContact CG2-CE1 3.71Å; V230-F253 HydrophobicContact CG2-CG 4.24Å; V230-F253 HydrophobicContact CG2-CZ 4.49Å; A249-F253 WeakPolarHBondContact O-CB 3.34Å; A249-F253 PolarHBondContact O-N 3.16Å; E250-F253 WeakPolarHBondContact O-CB 3.19Å; E250-F253 PolarHBondContact O-N 3.39Å; F253-L255 VanDerWaalsContact C-N 3.31Å; F253-L255 PolarHBondContact O-N 2.93Å; F253-S256 PolarHBondContact O-N 3.4Å; F253-S256 PolarHBondContact O-OG 3.31Å; F253-S256 VanDerWaalsContact O-OG 3.09Å; F253-H257 AromaticContact CE2-CD2 3.95Å; F253-H257 AromaticContact CZ-CD2 3.89Å; F253-H257 VanDerWaalsContact O-CB 3.3Å; F253-H257 WeakPolarHBondContact O-CB 3.17Å; F253-H257 PolarHBondContact O-N 3.32Å; F253-Y260 HydrophobicContact CE1-CD2 4.11Å; F253-Y260 HydrophobicContact CE1-CE2 4.25Å; F253-Y260 HydrophobicContact CZ-CD2 4.45Å; F253-Y260 HydrophobicContact CZ-CE2 4.3Å
254F95Very high90.8Very high1 Ų163.6 Ų63.60%0.00433%0.327CS..Hα-helixtrans-65.1-32.1-178.4-71-58.7000113.8L202 G228 V230 E250 R251 K252 Y260 R261 A264 L267L202-F254 HydrophobicContact CD1-CE1 3.83Å; L202-F254 HydrophobicContact CD1-CZ 3.98Å; G228-F254 WeakPolarHBondContact O-CZ 3.17Å; V230-F254 HydrophobicContact CG2-CE2 4.22Å; V230-F254 HydrophobicContact CG2-CZ 3.91Å; E250-F254 HydrophobicContact CG-CD2 3.88Å; E250-F254 HydrophobicContact CG-CE2 3.52Å; E250-F254 WeakPolarHBondContact O-CD2 3.34Å; E250-F254 PolarHBondContact O-N 2.91Å; E250-F254 VanDerWaalsContact O-N 3.13Å; R251-F254 PolarHBondContact O-N 2.92Å; K252-F254 PolarHBondContact O-N 3.46Å; F254-Y260 HydrophobicContact CD1-CD2 4.28Å; F254-Y260 HydrophobicContact CD1-CG 4.46Å; F254-Y260 HydrophobicContact CE1-CD2 4.48Å; F254-R261 WeakPolarHBondContact O-CA 3.33Å; F254-A264 HydrophobicContact CB-CB 3.87Å; F254-L267 HydrophobicContact CD1-CB 4.06Å; F254-L267 HydrophobicContact CD1-CD1 3.62Å; F254-L267 HydrophobicContact CD1-CG 4.49Å; F254-L267 HydrophobicContact CD2-CB 4.13Å; F254-L267 HydrophobicContact CE1-CB 4.02Å; F254-L267 HydrophobicContact CE1-CD1 3.74Å; F254-L267 HydrophobicContact CE1-CG 4.42Å; F254-L267 HydrophobicContact CE2-CB 4.08Å; F254-L267 HydrophobicContact CG-CB 4.13Å; F254-L267 HydrophobicContact CG-CD1 4.35Å; F254-L267 HydrophobicContact CZ-CB 4.03Å
255L93.8Very high91.2Very high74 Ų7463.4 Ų63.439%0.38733%0.33SS..Hα-helixtrans-76.2-32.8176.3-70.6173.6000112.9R251 K252 F253 A264R251-L255 HydrophobicContact CG-CD1 4.04Å; R251-L255 WeakPolarHBondContact O-CG 3.48Å; R251-L255 PolarHBondContact O-N 3.44Å; R251-L255 VanDerWaalsContact O-N 3.14Å; K252-L255 PolarHBondContact O-N 2.87Å; F253-L255 VanDerWaalsContact C-N 3.31Å; F253-L255 PolarHBondContact O-N 2.93Å; L255-A264 HydrophobicContact CD2-CB 3.87Å; L255-A264 HydrophobicContact CG-CB 4.43Å
256S92.9Very high91.4Very high81 Ų8164.2 Ų64.257%0.56633%0.328SS*.Hα-helixtrans-83.9-24.6179.758.30000113.8K252 F253 P258K252-S256 WeakPolarHBondContact O-CB 3.43Å; K252-S256 PolarHBondContact O-N 3.23Å; K252-S256 PolarHBondContact O-OG 3.01Å; F253-S256 PolarHBondContact O-N 3.4Å; F253-S256 PolarHBondContact O-OG 3.31Å; F253-S256 VanDerWaalsContact O-OG 3.09Å; S256-P258 WeakPolarHBondContact O-CD 3.4Å
257H91.9Very high91.6Very high49 Ų4964.1 Ų64.123%0.22733%0.326CS..  trans-76.8121.3-174.5-162-77.5000111.9F253 S259 Y260 R261F253-H257 AromaticContact CE2-CD2 3.95Å; F253-H257 AromaticContact CZ-CD2 3.89Å; F253-H257 VanDerWaalsContact O-CB 3.3Å; F253-H257 WeakPolarHBondContact O-CB 3.17Å; F253-H257 PolarHBondContact O-N 3.32Å; H257-S259 VanDerWaalsContact C-N 3.34Å; H257-S259 PolarHBondContact ND1-N 2.78Å; H257-S259 PolarHBondContact O-N 3.32Å; H257-Y260 HydrophobicContact CB-CD2 3.88Å; H257-Y260 AromaticContact CE1-CD2 3.97Å; H257-Y260 AromaticContact CE1-CE2 3.74Å; H257-Y260 AromaticContact CG-CD2 3.54Å; H257-Y260 AromaticContact CG-CE2 3.96Å; H257-Y260 AromaticContact ND1-CD2 3.39Å; H257-Y260 WeakPolarHBondContact ND1-CD2 3.34Å; H257-Y260 AromaticContact ND1-CE2 3.65Å; H257-Y260 AromaticContact ND1-CG 3.95Å; H257-Y260 PolarHBondContact O-N 3.05Å; H257-R261 WeakPolarHBondContact O-CB 3.47Å; H257-R261 PolarHBondContact O-N 2.82Å
258P90.6Very high91.9Very high115 Ų11562.1 Ų62.175%0.74732%0.316SS*.THydrogen-bonded Turntrans-55.5-42.2-175.2-26.834.7000114.2S256 Y260S256-P258 WeakPolarHBondContact O-CD 3.4Å; P258-Y260 PolarHBondContact O-N 2.96Å
259S91.6Very high92Very high25 Ų2559.2 Ų59.218%0.17529%0.291CS..THydrogen-bonded Turntrans-76.2-16-177.2-51.50000115.2D210 H257 H262D210-S259 VanDerWaalsContact OD2-CB 3.23Å; D210-S259 WeakPolarHBondContact OD2-CB 3.36Å; D210-S259 PolarHBondContact OD2-OG 3.01Å; H257-S259 VanDerWaalsContact C-N 3.34Å; H257-S259 PolarHBondContact ND1-N 2.78Å; H257-S259 PolarHBondContact O-N 3.32Å; S259-H262 PolarHBondContact O-CE1 3.39Å; S259-H262 VanDerWaalsContact O-CE1 3.23Å
260Y93.9Very high91.9Very high1 Ų159.9 Ų59.90%0.00429%0.293CS..THydrogen-bonded Turntrans-116.4-13.4-173.6-54.6-40.7000114L202 D210 A211 R212 L215 F253 F254 H257 P258 H262 M263 A264L202-Y260 HydrophobicContact CD2-CE2 4.45Å; D210-Y260 HydrophobicContact CB-CE1 4.4Å; A211-Y260 PolarHBondContact N-OH 3.44Å; R212-Y260 HydrophobicContact CB-CE1 4.43Å; L215-Y260 HydrophobicContact CD1-CD1 3.95Å; L215-Y260 HydrophobicContact CD1-CE1 3.78Å; F253-Y260 HydrophobicContact CE1-CD2 4.11Å; F253-Y260 HydrophobicContact CE1-CE2 4.25Å; F253-Y260 HydrophobicContact CZ-CD2 4.45Å; F253-Y260 HydrophobicContact CZ-CE2 4.3Å; F254-Y260 HydrophobicContact CD1-CD2 4.28Å; F254-Y260 HydrophobicContact CD1-CG 4.46Å; F254-Y260 HydrophobicContact CE1-CD2 4.48Å; H257-Y260 HydrophobicContact CB-CD2 3.88Å; H257-Y260 AromaticContact CE1-CD2 3.97Å; H257-Y260 AromaticContact CE1-CE2 3.74Å; H257-Y260 AromaticContact CG-CD2 3.54Å; H257-Y260 AromaticContact CG-CE2 3.96Å; H257-Y260 AromaticContact ND1-CD2 3.39Å; H257-Y260 WeakPolarHBondContact ND1-CD2 3.34Å; H257-Y260 AromaticContact ND1-CE2 3.65Å; H257-Y260 AromaticContact ND1-CG 3.95Å; H257-Y260 PolarHBondContact O-N 3.05Å; P258-Y260 PolarHBondContact O-N 2.96Å; Y260-H262 VanDerWaalsContact C-N 3.27Å; Y260-H262 PolarHBondContact O-N 2.85Å; Y260-H262 VanDerWaalsContact O-N 3.17Å; Y260-M263 CarbonylContact O-C 3.48Å; Y260-M263 WeakPolarHBondContact O-CG 3.45Å; Y260-M263 PolarHBondContact O-N 3.33Å; Y260-A264 PolarHBondContact O-N 3.19Å
261R92.3Very high91.7Very high175 Ų17563.4 Ų63.466%0.6631%0.306SS*.G310 helixtrans-53.9-39.3-174-179.1174.5176.2155.1-0.7113.8F254 H257 M263F254-R261 WeakPolarHBondContact O-CA 3.33Å; H257-R261 WeakPolarHBondContact O-CB 3.47Å; H257-R261 PolarHBondContact O-N 2.82Å; R261-M263 PolarHBondContact O-N 2.93Å
262H91.4Very high91.6Very high102 Ų10258.5 Ų58.547%0.47229%0.288SS..G310 helixtrans-69.9-14.718068-64.4000113.8E216 S259 Y260E216-H262 IonicContact OE1-CD2 2.65Å; E216-H262 IonicContact OE1-CE1 2.97Å; E216-H262 IonicContact OE1-NE2 3.61Å; E216-H262 PolarHBondContact OE1-NE2 2.97Å; S259-H262 PolarHBondContact O-CE1 3.39Å; S259-H262 VanDerWaalsContact O-CE1 3.23Å; Y260-H262 VanDerWaalsContact C-N 3.27Å; Y260-H262 PolarHBondContact O-N 2.85Å; Y260-H262 VanDerWaalsContact O-N 3.17Å
263M91.3Very high91.2Very high6 Ų653 Ų533%0.0326%0.264CS..G310 helixtrans-122.18.8-179.455.6168.235.800113.7L215 E216 Y260 R261 D265 R266 L267L215-M263 HydrophobicContact CB-CE 4.29Å; L215-M263 HydrophobicContact CB-SD 3.82Å; L215-M263 HydrophobicContact CD1-SD 4.35Å; E216-M263 HydrophobicContact CB-CE 4.41Å; E216-M263 HydrophobicContact CG-CE 3.35Å; Y260-M263 CarbonylContact O-C 3.48Å; Y260-M263 WeakPolarHBondContact O-CG 3.45Å; Y260-M263 PolarHBondContact O-N 3.33Å; R261-M263 PolarHBondContact O-N 2.93Å; M263-D265 PolarHBondContact O-N 3.4Å; M263-R266 PolarHBondContact O-N 3.33Å; M263-L267 HydrophobicContact CG-CD1 3.77Å; M263-L267 HydrophobicContact CG-CG 4.45Å; M263-L267 WeakPolarHBondContact O-CG 3.28Å; M263-L267 HydrophobicContact SD-CD1 3.91Å
264A90.2Very high90.7Very high2 Ų259.6 Ų59.62%0.01729%0.288CS..G310 helixtrans-55-26-177.500000114.1R251 F254 L255 Y260 R266R251-A264 PolarHBondContact NH1-O 2.95Å; F254-A264 HydrophobicContact CB-CB 3.87Å; L255-A264 HydrophobicContact CD2-CB 3.87Å; L255-A264 HydrophobicContact CG-CB 4.43Å; Y260-A264 PolarHBondContact O-N 3.19Å; A264-R266 VanDerWaalsContact C-N 3.32Å
265D89.8Confident90.3Very high117 Ų11760.1 Ų60.163%0.62629%0.291SS*.G310 helixtrans-76.2-16176.4-65.8-25.4000114.4R251 M263 Y271R251-D265 IonicContact CZ-OD1 2.64Å; R251-D265 VanDerWaalsContact CZ-OD1 3.29Å; R251-D265 IonicContact NH1-OD1 3.52Å; R251-D265 PolarHBondContact NH1-OD1 3.04Å; R251-D265 IonicContact NH2-OD1 3.76Å; R251-D265 PolarHBondContact NH2-OD1 3.37Å; M263-D265 PolarHBondContact O-N 3.4Å; D265-Y271 WeakPolarHBondContact O-CD2 3.42Å
266R89.8Confident90Very high137 Ų13756.6 Ų56.652%0.51727%0.273SS..G310 helixtrans-10715.9175-60.3-168-62.4-96.7-0.5112.6M263 A264 Y271M263-R266 PolarHBondContact O-N 3.33Å; A264-R266 VanDerWaalsContact C-N 3.32Å; R266-Y271 HydrophobicContact CB-CD1 4.47Å; R266-Y271 HydrophobicContact CB-CE1 3.95Å; R266-Y271 HydrophobicContact CB-CE2 4.41Å; R266-Y271 HydrophobicContact CG-CE2 4.4Å; R266-Y271 WeakPolarHBondContact O-CD1 3.39Å; R266-Y271 WeakPolarHBondContact O-CE1 3.18Å
267L91.9Very high89.4Confident11 Ų1153.4 Ų53.46%0.05825%0.25CC..  trans-127165.1-179.4-62.7175.2000110.2L215 G228 F254 M263L215-L267 HydrophobicContact CD1-CD1 4.19Å; L215-L267 HydrophobicContact CD1-CD2 4.04Å; L215-L267 HydrophobicContact CD2-CD2 4.02Å; L215-L267 HydrophobicContact CG-CD2 4.47Å; G228-L267 VanDerWaalsContact N-CD2 3.29Å; F254-L267 HydrophobicContact CD1-CB 4.06Å; F254-L267 HydrophobicContact CD1-CD1 3.62Å; F254-L267 HydrophobicContact CD1-CG 4.49Å; F254-L267 HydrophobicContact CD2-CB 4.13Å; F254-L267 HydrophobicContact CE1-CB 4.02Å; F254-L267 HydrophobicContact CE1-CD1 3.74Å; F254-L267 HydrophobicContact CE1-CG 4.42Å; F254-L267 HydrophobicContact CE2-CB 4.08Å; F254-L267 HydrophobicContact CG-CB 4.13Å; F254-L267 HydrophobicContact CG-CD1 4.35Å; F254-L267 HydrophobicContact CZ-CB 4.03Å; M263-L267 HydrophobicContact CG-CD1 3.77Å; M263-L267 HydrophobicContact CG-CG 4.45Å; M263-L267 WeakPolarHBondContact O-CG 3.28Å; M263-L267 HydrophobicContact SD-CD1 3.91Å
268G92.9Very high88.9Confident2 Ų255 Ų552%0.02126%0.257CS..SBendtrans92.3162.7178.100000114.6G228 E250 Y271 L272G228-G268 WeakPolarHBondContact O-CA 3.18Å; G228-G268 PolarHBondContact O-N 3.49Å; E250-G268 VanDerWaalsContact CD-CA 3.49Å; E250-G268 WeakPolarHBondContact OE1-CA 3.3Å; G268-Y271 PolarHBondContact O-N 3.26Å; G268-L272 PolarHBondContact O-N 2.91Å
269T89.8Confident88.6Confident2 Ų250.7 Ų50.71%0.01223%0.227CC..Hα-helixtrans-56.3-44-178.1-570000112.8N45 F46 L247 E250 Y271 L272 Q273N45-T269 HydrophobicContact CB-CG2 3.65Å; F46-T269 HydrophobicContact CD1-CG2 4.04Å; F46-T269 HydrophobicContact CE1-CG2 4.12Å; L247-T269 HydrophobicContact CD2-CG2 4.11Å; E250-T269 VanDerWaalsContact CD-N 3.32Å; E250-T269 PolarHBondContact OE1-N 2.78Å; E250-T269 VanDerWaalsContact OE1-N 3.13Å; E250-T269 PolarHBondContact OE1-OG1 3.42Å; E250-T269 WeakPolarHBondContact OE2-CB 3.3Å; E250-T269 PolarHBondContact OE2-N 2.66Å; E250-T269 PolarHBondContact OE2-OG1 3.16Å; T269-Y271 VanDerWaalsContact C-N 3.3Å; T269-Y271 PolarHBondContact O-N 3.33Å; T269-L272 WeakPolarHBondContact O-CB 3.16Å; T269-L272 PolarHBondContact O-N 2.9Å; T269-Q273 WeakPolarHBondContact O-CG 3.06Å; T269-Q273 PolarHBondContact O-N 3.45Å
270P87.3Confident88Confident56 Ų5649.6 Ų49.636%0.36422%0.219SC..Hα-helixtrans-64.4-34-179.4-23.135.7000113.1L247 R274L247-P270 HydrophobicContact CD2-CG 4.25Å; P270-R274 WeakPolarHBondContact O-CG 3.33Å; P270-R274 PolarHBondContact O-N 3.1Å
271Y90.1Very high87.2Confident78 Ų7849.8 Ų49.831%0.30622%0.22SC..Hα-helixtrans-70-44.2174.6-178.1-103.8000110.8I227 D265 R266 G268 T269 Q273 R274 V275I227-Y271 HydrophobicContact CD1-CD1 4.05Å; I227-Y271 HydrophobicContact CD1-CE1 4.02Å; I227-Y271 HydrophobicContact CG1-CD1 4.24Å; I227-Y271 HydrophobicContact CG1-CE1 4.14Å; I227-Y271 HydrophobicContact CG2-CD1 4.07Å; D265-Y271 WeakPolarHBondContact O-CD2 3.42Å; R266-Y271 HydrophobicContact CB-CD1 4.47Å; R266-Y271 HydrophobicContact CB-CE1 3.95Å; R266-Y271 HydrophobicContact CB-CE2 4.41Å; R266-Y271 HydrophobicContact CG-CE2 4.4Å; R266-Y271 WeakPolarHBondContact O-CD1 3.39Å; R266-Y271 WeakPolarHBondContact O-CE1 3.18Å; G268-Y271 PolarHBondContact O-N 3.26Å; T269-Y271 VanDerWaalsContact C-N 3.3Å; T269-Y271 PolarHBondContact O-N 3.33Å; Y271-Q273 PolarHBondContact O-N 3.06Å; Y271-R274 PolarHBondContact O-N 3.12Å; Y271-V275 HydrophobicContact CD1-CG2 3.93Å; Y271-V275 HydrophobicContact CD2-CG2 4.41Å; Y271-V275 HydrophobicContact CE1-CG2 3.51Å; Y271-V275 HydrophobicContact CE2-CG2 4.02Å; Y271-V275 HydrophobicContact CG-CG2 4.37Å; Y271-V275 WeakPolarHBondContact O-CG2 3.38Å; Y271-V275 PolarHBondContact O-N 3.39Å
272L90.3Very high86.7Confident0 Ų042.5 Ų42.50%020%0.195CC..Hα-helixtrans-55.4-48176.1-179.257.8000112V42 F46 L167 V198 I227 V229 G268 T269 R274 V275 L276V42-L272 HydrophobicContact CG1-CD2 3.99Å; F46-L272 HydrophobicContact CE1-CB 4.43Å; F46-L272 HydrophobicContact CE1-CD2 3.86Å; F46-L272 HydrophobicContact CE1-CG 3.98Å; F46-L272 HydrophobicContact CZ-CD2 3.58Å; F46-L272 HydrophobicContact CZ-CG 3.76Å; L167-L272 HydrophobicContact CD1-CD1 4.5Å; V198-L272 HydrophobicContact CG1-CD2 4.16Å; V198-L272 HydrophobicContact CG2-CD1 3.83Å; V198-L272 HydrophobicContact CG2-CD2 3.93Å; I227-L272 HydrophobicContact CB-CD1 4.21Å; I227-L272 HydrophobicContact CD1-CD1 3.64Å; I227-L272 HydrophobicContact CG1-CD1 4.48Å; I227-L272 HydrophobicContact CG2-CB 3.97Å; I227-L272 HydrophobicContact CG2-CD1 4.33Å; V229-L272 HydrophobicContact CG1-CB 4.45Å; V229-L272 HydrophobicContact CG1-CD2 3.84Å; G268-L272 PolarHBondContact O-N 2.91Å; T269-L272 WeakPolarHBondContact O-CB 3.16Å; T269-L272 PolarHBondContact O-N 2.9Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.2Å; L272-V275 PolarHBondContact O-N 2.95Å; L272-L276 HydrophobicContact CD1-CD1 4.07Å; L272-L276 HydrophobicContact CD1-CD2 4.24Å; L272-L276 HydrophobicContact CD1-CG 3.91Å; L272-L276 HydrophobicContact CG-CD1 4.06Å; L272-L276 HydrophobicContact CG-CG 4.28Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.32Å; L272-L276 PolarHBondContact O-N 2.98Å
273Q84.1Confident86.1Confident38 Ų3838.3 Ų38.318%0.17818%0.175CC..Hα-helixtrans-56.9-45.6177.8-72176.76.400112.6N45 F46 T269 Y271 L276 N277N45-Q273 PolarHBondContact O-NE2 3.3Å; F46-Q273 HydrophobicContact CD1-CG 3.29Å; F46-Q273 HydrophobicContact CE1-CG 3.61Å; F46-Q273 HydrophobicContact CG-CG 4.15Å; T269-Q273 WeakPolarHBondContact O-CG 3.06Å; T269-Q273 PolarHBondContact O-N 3.45Å; Y271-Q273 PolarHBondContact O-N 3.06Å; Q273-L276 PolarHBondContact O-N 2.86Å; Q273-N277 WeakPolarHBondContact O-CB 3.37Å; Q273-N277 PolarHBondContact O-N 3.23Å
274R83.8Confident85.4Confident179 Ų17938.2 Ų38.268%0.67518%0.175SC*.Hα-helixtrans-64.1-44.3178.1-69.2177.2-170.6172.93.2111.6P270 Y271 L272 N277 Q278P270-R274 WeakPolarHBondContact O-CG 3.33Å; P270-R274 PolarHBondContact O-N 3.1Å; Y271-R274 PolarHBondContact O-N 3.12Å; L272-R274 VanDerWaalsContact C-N 3.34Å; L272-R274 PolarHBondContact O-N 3.2Å; R274-N277 PolarHBondContact O-N 3.31Å; R274-Q278 WeakPolarHBondContact O-CB 3.49Å; R274-Q278 PolarHBondContact O-N 2.97Å
275V87.6Confident84.7Confident12 Ų1241.7 Ų41.77%0.07319%0.187CC..Hα-helixtrans-63.1-47.1177.3174.60000110.3I227 Y271 L272 N277 Q278 Q279I227-V275 HydrophobicContact CD1-CB 3.84Å; I227-V275 HydrophobicContact CD1-CG1 3.89Å; I227-V275 HydrophobicContact CD1-CG2 3.95Å; Y271-V275 HydrophobicContact CD1-CG2 3.93Å; Y271-V275 HydrophobicContact CD2-CG2 4.41Å; Y271-V275 HydrophobicContact CE1-CG2 3.51Å; Y271-V275 HydrophobicContact CE2-CG2 4.02Å; Y271-V275 HydrophobicContact CG-CG2 4.37Å; Y271-V275 WeakPolarHBondContact O-CG2 3.38Å; Y271-V275 PolarHBondContact O-N 3.39Å; L272-V275 PolarHBondContact O-N 2.95Å; V275-N277 VanDerWaalsContact C-N 3.34Å; V275-N277 PolarHBondContact O-N 3.16Å; V275-Q278 PolarHBondContact O-N 3.45Å; V275-Q279 HydrophobicContact CG1-CG 3.77Å; V275-Q279 WeakPolarHBondContact O-CB 3.4Å; V275-Q279 WeakPolarHBondContact O-CG 3.28Å; V275-Q279 PolarHBondContact O-N 3.44Å
276L86.1Confident84.1Confident0 Ų040.6 Ų40.60%018%0.181CC..Hα-helixtrans-60-43.1178.7-68.8-179000112.2I29 F46 L167 I196 L272 Q273 Q279 L280I29-L276 HydrophobicContact CD1-CB 4.14Å; I29-L276 HydrophobicContact CD1-CD2 4.33Å; F46-L276 HydrophobicContact CE1-CD1 4.49Å; F46-L276 HydrophobicContact CE2-CD1 3.58Å; F46-L276 HydrophobicContact CZ-CD1 3.46Å; F46-L276 VanDerWaalsContact CZ-CD1 3.46Å; L167-L276 HydrophobicContact CD1-CD2 3.77Å; L167-L276 HydrophobicContact CD2-CD1 4.16Å; I196-L276 HydrophobicContact CD1-CD2 3.57Å; I196-L276 HydrophobicContact CG2-CD2 4.49Å; L272-L276 HydrophobicContact CD1-CD1 4.07Å; L272-L276 HydrophobicContact CD1-CD2 4.24Å; L272-L276 HydrophobicContact CD1-CG 3.91Å; L272-L276 HydrophobicContact CG-CD1 4.06Å; L272-L276 HydrophobicContact CG-CG 4.28Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.32Å; L272-L276 PolarHBondContact O-N 2.98Å; Q273-L276 PolarHBondContact O-N 2.86Å; L276-Q279 PolarHBondContact O-N 3.05Å; L276-L280 WeakPolarHBondContact O-CB 3.41Å; L276-L280 PolarHBondContact O-N 3.4Å
277N80.4Confident83.5Confident15 Ų1535.4 Ų35.48%0.0817%0.165CC..Hα-helixtrans-63.7-45176.5-175.6-78.8000112.1I5 L125 N126 L127 Q273 R274 V275 T281I5-N277 WeakPolarHBondContact CD1-ND2 3.47Å; L125-N277 HydrophobicContact CD1-CB 3.75Å; N126-N277 PolarHBondContact O-ND2 3.2Å; L127-N277 HydrophobicContact CD2-CB 4.09Å; Q273-N277 WeakPolarHBondContact O-CB 3.37Å; Q273-N277 PolarHBondContact O-N 3.23Å; R274-N277 PolarHBondContact O-N 3.31Å; V275-N277 VanDerWaalsContact C-N 3.34Å; V275-N277 PolarHBondContact O-N 3.16Å; N277-T281 VanDerWaalsContact O-CB 3.31Å; N277-T281 WeakPolarHBondContact O-CB 3.43Å; N277-T281 PolarHBondContact O-N 3.37Å; N277-T281 PolarHBondContact O-OG1 3.49Å
278Q82.9Confident82.8Confident81 Ų8136 Ų3638%0.37917%0.168SC..Hα-helixtrans-63-46.9176.7-173.9-177.721.800111.6R274 V275 T281 N282R274-Q278 WeakPolarHBondContact O-CB 3.49Å; R274-Q278 PolarHBondContact O-N 2.97Å; V275-Q278 PolarHBondContact O-N 3.45Å; Q278-T281 PolarHBondContact O-N 3.44Å; Q278-N282 WeakPolarHBondContact O-CB 3.48Å; Q278-N282 VanDerWaalsContact O-CG 3.3Å; Q278-N282 PolarHBondContact O-N 2.78Å
279Q83.8Confident82.3Confident25 Ų2539.3 Ų39.312%0.11719%0.189CC..Hα-helixtrans-66.6-40.2-179-65-61.8-4.900111.4L165 I196 V275 L276 H283L165-Q279 HydrophobicContact CD1-CB 4.43Å; I196-Q279 HydrophobicContact CD1-CB 4.13Å; I196-Q279 HydrophobicContact CD1-CG 4.14Å; V275-Q279 HydrophobicContact CG1-CG 3.77Å; V275-Q279 WeakPolarHBondContact O-CB 3.4Å; V275-Q279 WeakPolarHBondContact O-CG 3.28Å; V275-Q279 PolarHBondContact O-N 3.44Å; L276-Q279 PolarHBondContact O-N 3.05Å; Q279-H283 WeakPolarHBondContact O-CB 3.42Å; Q279-H283 PolarHBondContact O-N 2.93Å
280L78.9Confident81.9Confident3 Ų341 Ų412%0.01621%0.207CC..Hα-helixtrans-63.5-45174-178.260.1000110.9I5 P27 I29 L127 L165 L276 N282 H283 I284I5-L280 HydrophobicContact CD1-CD2 4.32Å; P27-L280 HydrophobicContact CB-CD1 4.26Å; I29-L280 HydrophobicContact CD1-CB 4.28Å; I29-L280 HydrophobicContact CD1-CD2 4.27Å; I29-L280 HydrophobicContact CG1-CD1 4.33Å; L127-L280 HydrophobicContact CD2-CD2 3.79Å; L165-L280 HydrophobicContact CD1-CB 4.4Å; L165-L280 HydrophobicContact CD1-CD1 4.37Å; L276-L280 WeakPolarHBondContact O-CB 3.41Å; L276-L280 PolarHBondContact O-N 3.4Å; L280-N282 PolarHBondContact O-N 3.04Å; L280-H283 PolarHBondContact O-N 3.3Å; L280-I284 HydrophobicContact CD1-CD1 4.08Å; L280-I284 HydrophobicContact CD1-CG1 4.19Å; L280-I284 HydrophobicContact CG-CD1 3.82Å; L280-I284 HydrophobicContact CG-CG1 4.38Å; L280-I284 WeakPolarHBondContact O-CB 3.17Å; L280-I284 WeakPolarHBondContact O-CG1 3.31Å; L280-I284 PolarHBondContact O-N 2.73Å
281T76.6Confident81.5Confident5 Ų539.4 Ų39.43%0.03120%0.195CC..Hα-helixtrans-60.8-46.1178.5-59.60000111.8M1 L4 N277 Q278 I284 R285M1-T281 HydrophobicContact CB-CG2 4.19Å; M1-T281 HydrophobicContact CG-CG2 4.15Å; L4-T281 HydrophobicContact CB-CG2 4.44Å; L4-T281 HydrophobicContact CD1-CG2 3.53Å; N277-T281 VanDerWaalsContact O-CB 3.31Å; N277-T281 WeakPolarHBondContact O-CB 3.43Å; N277-T281 PolarHBondContact O-N 3.37Å; N277-T281 PolarHBondContact O-OG1 3.49Å; Q278-T281 PolarHBondContact O-N 3.44Å; T281-I284 PolarHBondContact O-N 3.29Å; T281-R285 PolarHBondContact O-N 2.83Å; T281-R285 VanDerWaalsContact O-N 3.08Å
282N81.6Confident81.2Confident22 Ų2240.8 Ų40.812%0.11820%0.2CC..Hα-helixtrans-64.1-44.3176.5-70.8-15.4000111.4Q278 L280 I284 R285 D286Q278-N282 WeakPolarHBondContact O-CB 3.48Å; Q278-N282 VanDerWaalsContact O-CG 3.3Å; Q278-N282 PolarHBondContact O-N 2.78Å; L280-N282 PolarHBondContact O-N 3.04Å; N282-I284 PolarHBondContact O-N 2.72Å; N282-R285 WeakPolarHBondContact O-CB 3.31Å; N282-R285 PolarHBondContact O-N 2.83Å; N282-R285 VanDerWaalsContact O-N 3.17Å; N282-D286 PolarHBondContact O-N 2.85Å
283H78.1Confident80.9Confident14 Ų1445 Ų457%0.06522%0.222CC..Hα-helixtrans-65.7-38179.6-169.366.5000112.5T163 L165 Q279 L280 R285 D286 T287T163-H283 WeakPolarHBondContact CA-NE2 3.35Å; T163-H283 PolarHBondContact O-CD2 3.28Å; T163-H283 VanDerWaalsContact O-CD2 3.28Å; T163-H283 PolarHBondContact O-NE2 3.36Å; L165-H283 HydrophobicContact CD1-CB 4.05Å; L165-H283 HydrophobicContact CD2-CB 4.23Å; L165-H283 HydrophobicContact CG-CB 4.28Å; Q279-H283 WeakPolarHBondContact O-CB 3.42Å; Q279-H283 PolarHBondContact O-N 2.93Å; L280-H283 PolarHBondContact O-N 3.3Å; H283-R285 VanDerWaalsContact C-N 3.34Å; H283-D286 PolarHBondContact O-N 2.86Å; H283-T287 WeakPolarHBondContact O-CB 3.46Å; H283-T287 VanDerWaalsContact O-CG2 3.32Å; H283-T287 WeakPolarHBondContact O-CG2 3.45Å; H283-T287 PolarHBondContact O-N 2.96Å; H283-T287 VanDerWaalsContact O-N 3.09Å; H283-T287 PolarHBondContact O-OG1 2.86Å
284I76.5Confident80.8Confident3 Ų349.1 Ų49.12%0.01524%0.24CC..Hα-helixtrans-58-49.8170.8-70.3163000109.7L4 I5 V8 P27 L280 T281 N282 D286 T287 L288L4-I284 HydrophobicContact CB-CG2 4.44Å; L4-I284 HydrophobicContact CD2-CG2 4.44Å; I5-I284 HydrophobicContact CG1-CD1 4.15Å; V8-I284 HydrophobicContact CG2-CD1 3.75Å; V8-I284 HydrophobicContact CG2-CG1 3.94Å; V8-I284 HydrophobicContact CG2-CG2 3.85Å; P27-I284 HydrophobicContact CB-CB 4.46Å; P27-I284 HydrophobicContact CB-CG1 3.53Å; P27-I284 HydrophobicContact CG-CB 4.32Å; P27-I284 HydrophobicContact CG-CG1 3.78Å; L280-I284 HydrophobicContact CD1-CD1 4.08Å; L280-I284 HydrophobicContact CD1-CG1 4.19Å; L280-I284 HydrophobicContact CG-CD1 3.82Å; L280-I284 HydrophobicContact CG-CG1 4.38Å; L280-I284 WeakPolarHBondContact O-CB 3.17Å; L280-I284 WeakPolarHBondContact O-CG1 3.31Å; L280-I284 PolarHBondContact O-N 2.73Å; T281-I284 PolarHBondContact O-N 3.29Å; N282-I284 PolarHBondContact O-N 2.72Å; I284-D286 VanDerWaalsContact C-N 3.33Å; I284-D286 PolarHBondContact O-N 3.01Å; I284-T287 PolarHBondContact O-N 2.86Å; I284-T287 PolarHBondContact O-OG1 3.09Å; I284-L288 HydrophobicContact CG2-CD1 4.09Å; I284-L288 WeakPolarHBondContact O-CB 3.21Å; I284-L288 PolarHBondContact O-N 2.93Å
285R76.4Confident80.8Confident75 Ų7540.6 Ų40.628%0.28321%0.208SC..Hα-helixtrans-58.6-42.8179.9-177.4-173.3-178.6145.99.8112.8T281 N282 H283 T287 P289 T744 V745 S746T281-R285 PolarHBondContact O-N 2.83Å; T281-R285 VanDerWaalsContact O-N 3.08Å; N282-R285 WeakPolarHBondContact O-CB 3.31Å; N282-R285 PolarHBondContact O-N 2.83Å; N282-R285 VanDerWaalsContact O-N 3.17Å; H283-R285 VanDerWaalsContact C-N 3.34Å; R285-T287 VanDerWaalsContact C-N 3.34Å; R285-P289 WeakPolarHBondContact O-CD 3.41Å; R285-T744 VanDerWaalsContact CZ-OG1 3.31Å; R285-T744 PolarHBondContact NH1-O 2.93Å; R285-T744 PolarHBondContact NH1-OG1 3.28Å; R285-T744 PolarHBondContact NH2-O 3.42Å; R285-V745 PolarHBondContact NH1-O 2.93Å; R285-S746 VanDerWaalsContact NH1-CA 3.35Å; R285-S746 VanDerWaalsContact NH1-N 3.12Å
286D78.1Confident80.8Confident94 Ų9444.7 Ų44.750%0.50323%0.226SC..Hα-helixtrans-71.3-30.5-177.1-67.3-17.7000112.3N282 H283 I284N282-D286 PolarHBondContact O-N 2.85Å; H283-D286 PolarHBondContact O-N 2.86Å; I284-D286 VanDerWaalsContact C-N 3.33Å; I284-D286 PolarHBondContact O-N 3.01Å
287T76.5Confident80.9Confident29 Ų2952.3 Ų52.318%0.17826%0.259CS..Hα-helixtrans-93.6-23.5-175.854.10000114.1P27 T163 H283 I284 R285 G290 L291P27-T287 WeakPolarHBondContact CG-OG1 3.1Å; T163-T287 HydrophobicContact CG2-CG2 4.02Å; H283-T287 WeakPolarHBondContact O-CB 3.46Å; H283-T287 VanDerWaalsContact O-CG2 3.32Å; H283-T287 WeakPolarHBondContact O-CG2 3.45Å; H283-T287 PolarHBondContact O-N 2.96Å; H283-T287 VanDerWaalsContact O-N 3.09Å; H283-T287 PolarHBondContact O-OG1 2.86Å; I284-T287 PolarHBondContact O-N 2.86Å; I284-T287 PolarHBondContact O-OG1 3.09Å; R285-T287 VanDerWaalsContact C-N 3.34Å; T287-G290 PolarHBondContact O-N 2.92Å; T287-L291 PolarHBondContact O-N 3.25Å; T287-L291 VanDerWaalsContact O-N 3.09Å
288L77.4Confident81Confident23 Ų2355.5 Ų55.512%0.1227%0.274CS..Hα-helixtrans-61.9-37.2-176.1-164.9154.7000114.2I284 G290 L291 R292 I737I284-L288 HydrophobicContact CG2-CD1 4.09Å; I284-L288 WeakPolarHBondContact O-CB 3.21Å; I284-L288 PolarHBondContact O-N 2.93Å; L288-G290 PolarHBondContact O-N 2.74Å; L288-L291 WeakPolarHBondContact O-CB 3.11Å; L288-L291 PolarHBondContact O-N 3.19Å; L288-R292 PolarHBondContact O-N 2.86Å; L288-I737 HydrophobicContact CD2-CB 4.42Å; L288-I737 HydrophobicContact CD2-CG1 4.33Å; L288-I737 HydrophobicContact CD2-CG2 3.59Å
289P81.6Confident81.2Confident71 Ų7153.4 Ų53.446%0.46126%0.264SS..Hα-helixtrans-59.1-45.2171.7-25.334.8000112.9R285 L291 R292 D293R285-P289 WeakPolarHBondContact O-CD 3.41Å; P289-L291 VanDerWaalsContact C-N 3.31Å; P289-L291 PolarHBondContact O-N 3.16Å; P289-R292 WeakPolarHBondContact O-CB 3.35Å; P289-R292 PolarHBondContact O-N 2.82Å; P289-D293 PolarHBondContact O-N 2.99Å
290G81.4Confident81.4Confident38 Ų3857.8 Ų57.839%0.39229%0.288SS..Hα-helixtrans-64.8-35.1177.500000112.7T287 L288 K294T287-G290 PolarHBondContact O-N 2.92Å; L288-G290 PolarHBondContact O-N 2.74Å; G290-K294 WeakPolarHBondContact O-CG 3.43Å; G290-K294 PolarHBondContact O-N 3.47Å; G290-K294 VanDerWaalsContact O-N 3.17Å
291L79.2Confident81.7Confident22 Ų2261.6 Ų61.612%0.11531%0.312CS..Hα-helixtrans-65.1-43.8172.8-172.663.6000111.9L24 L26 T287 L288 P289 D293 K294 L295 I737L24-L291 HydrophobicContact CD2-CD1 3.49Å; L24-L291 VanDerWaalsContact CD2-CD1 3.49Å; L24-L291 HydrophobicContact CD2-CG 4.41Å; L26-L291 HydrophobicContact CD2-CD2 3.7Å; T287-L291 PolarHBondContact O-N 3.25Å; T287-L291 VanDerWaalsContact O-N 3.09Å; L288-L291 WeakPolarHBondContact O-CB 3.11Å; L288-L291 PolarHBondContact O-N 3.19Å; P289-L291 VanDerWaalsContact C-N 3.31Å; P289-L291 PolarHBondContact O-N 3.16Å; L291-D293 PolarHBondContact O-N 3.27Å; L291-K294 PolarHBondContact O-N 3.49Å; L291-L295 HydrophobicContact CG-CD1 4.15Å; L291-L295 WeakPolarHBondContact O-CB 3.16Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.4Å; L291-I737 HydrophobicContact CD2-CD1 4.4Å; L291-I737 HydrophobicContact CG-CD1 4.48Å
292R83.3Confident82.1Confident107 Ų10762.7 Ų62.740%0.40432%0.317SS..Hα-helixtrans-58.2-48.1176.8-167-171.879175.55.3111.2L288 P289 K294 L295 Q296 L734 I737L288-R292 PolarHBondContact O-N 2.86Å; P289-R292 WeakPolarHBondContact O-CB 3.35Å; P289-R292 PolarHBondContact O-N 2.82Å; R292-K294 VanDerWaalsContact C-N 3.34Å; R292-K294 PolarHBondContact O-N 3.48Å; R292-L295 PolarHBondContact O-N 3.32Å; R292-Q296 VanDerWaalsContact O-CB 3.32Å; R292-Q296 WeakPolarHBondContact O-CB 3.33Å; R292-Q296 PolarHBondContact O-N 3.45Å; R292-L734 HydrophobicContact CG-CD2 3.79Å; R292-I737 HydrophobicContact CB-CG2 3.96Å; R292-I737 HydrophobicContact CG-CG2 3.73Å
293D84.1Confident82.3Confident88 Ų8864.1 Ų64.147%0.47132%0.323SS..Hα-helixtrans-64.9-39-178.1-68.2-11.6000111.6P289 L291 Q296 K297P289-D293 PolarHBondContact O-N 2.99Å; L291-D293 PolarHBondContact O-N 3.27Å; D293-Q296 PolarHBondContact O-N 3.31Å; D293-K297 WeakPolarHBondContact O-CB 3.5Å; D293-K297 PolarHBondContact O-N 2.98Å
294K83.5Confident82.4Confident126 Ų12671 Ų7155%0.54835%0.353SS..Hα-helixtrans-61.4-48.6172.8-75.5179.4-177.8-179.50111.8G290 L291 R292 K297 Q298G290-K294 WeakPolarHBondContact O-CG 3.43Å; G290-K294 PolarHBondContact O-N 3.47Å; G290-K294 VanDerWaalsContact O-N 3.17Å; L291-K294 PolarHBondContact O-N 3.49Å; R292-K294 VanDerWaalsContact C-N 3.34Å; R292-K294 PolarHBondContact O-N 3.48Å; K294-K297 PolarHBondContact O-N 3.43Å; K294-Q298 PolarHBondContact O-N 3.01Å
295L83.4Confident82.4Confident0 Ų074.9 Ų74.90%037%0.371CS..Hα-helixtrans-62.3-41.9178.1-80168.2000111.9F15 M22 L24 L291 R292 Q298 M299 A733 L734 I737F15-L295 HydrophobicContact CE1-CD2 4.46Å; F15-L295 HydrophobicContact CZ-CD2 3.81Å; M22-L295 HydrophobicContact CE-CD2 3.68Å; M22-L295 HydrophobicContact CE-CG 4.45Å; M22-L295 HydrophobicContact SD-CD2 3.77Å; L24-L295 HydrophobicContact CD2-CD1 4.39Å; L24-L295 HydrophobicContact CD2-CD2 4.03Å; L24-L295 HydrophobicContact CD2-CG 4.23Å; L291-L295 HydrophobicContact CG-CD1 4.15Å; L291-L295 WeakPolarHBondContact O-CB 3.16Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 3.4Å; R292-L295 PolarHBondContact O-N 3.32Å; L295-Q298 PolarHBondContact O-N 2.98Å; L295-M299 WeakPolarHBondContact O-CB 3.37Å; L295-M299 PolarHBondContact O-N 3.38Å; L295-A733 HydrophobicContact CD1-CB 4.07Å; L295-A733 HydrophobicContact CD2-CB 4.48Å; L295-L734 HydrophobicContact CB-CD2 3.81Å; L295-L734 HydrophobicContact CB-CG 4.05Å; L295-I737 HydrophobicContact CD1-CD1 3.56Å
296Q86.9Confident82.5Confident97 Ų9771.4 Ų71.445%0.45336%0.358SS..Hα-helixtrans-65.5-42.2178.4-171.7172.6-8.400111.7R292 D293 M299 L300 L734R292-Q296 VanDerWaalsContact O-CB 3.32Å; R292-Q296 WeakPolarHBondContact O-CB 3.33Å; R292-Q296 PolarHBondContact O-N 3.45Å; D293-Q296 PolarHBondContact O-N 3.31Å; Q296-M299 PolarHBondContact O-N 2.9Å; Q296-L300 WeakPolarHBondContact O-CB 3.49Å; Q296-L300 PolarHBondContact O-N 3.27Å; Q296-L734 HydrophobicContact CB-CD1 4.49Å; Q296-L734 HydrophobicContact CB-CD2 4.28Å
297K87.6Confident82.3Confident160 Ų16072.3 Ų72.370%0.69636%0.359SS*.Hα-helixtrans-61.9-45.8175-174.2177.1-180179.70111.7D293 K294 L300 T301D293-K297 WeakPolarHBondContact O-CB 3.5Å; D293-K297 PolarHBondContact O-N 2.98Å; K294-K297 PolarHBondContact O-N 3.43Å; K297-L300 PolarHBondContact O-N 3.13Å; K297-T301 PolarHBondContact O-N 3.03Å; K297-T301 VanDerWaalsContact O-N 3.15Å; K297-T301 PolarHBondContact O-OG1 3.29Å
298Q84Confident81.9Confident83 Ų8377.8 Ų77.839%0.38838%0.383SS..Hα-helixtrans-65-42176.9-75.5-171.1-1100112.4M22 K294 L295 L300 T301 L302M22-Q298 PolarHBondContact SD-OE1 3.37Å; K294-Q298 PolarHBondContact O-N 3.01Å; L295-Q298 PolarHBondContact O-N 2.98Å; Q298-L300 VanDerWaalsContact C-N 3.31Å; Q298-L300 PolarHBondContact O-N 3.49Å; Q298-T301 PolarHBondContact O-N 3.08Å; Q298-L302 WeakPolarHBondContact O-CG 3.41Å; Q298-L302 PolarHBondContact O-N 3.07Å
299M86.6Confident81.2Confident36 Ų3678.3 Ų78.318%0.17738%0.384CS..Hα-helixtrans-58.8-43175.3-173.5-170.47200111.2L295 Q296 T301 L302 E303 Y727 C730 L734L295-M299 WeakPolarHBondContact O-CB 3.37Å; L295-M299 PolarHBondContact O-N 3.38Å; Q296-M299 PolarHBondContact O-N 2.9Å; M299-T301 PolarHBondContact O-N 3.28Å; M299-L302 PolarHBondContact O-N 2.95Å; M299-E303 VanDerWaalsContact O-CB 3.27Å; M299-E303 WeakPolarHBondContact O-CB 3.47Å; M299-E303 PolarHBondContact O-N 3.07Å; M299-Y727 HydrophobicContact CG-CD2 4.14Å; M299-Y727 HydrophobicContact CG-CE2 3.88Å; M299-C730 HydrophobicContact CB-CB 4.17Å; M299-C730 HydrophobicContact CG-CB 4.5Å; M299-L734 HydrophobicContact CB-CD1 4.12Å; M299-L734 HydrophobicContact CE-CD1 3.98Å; M299-L734 HydrophobicContact CG-CD1 4.41Å; M299-L734 HydrophobicContact SD-CD1 3.5Å; M299-L734 WeakPolarHBondContact SD-CD1 3.3Å
300L87.4Confident80.1Confident117 Ų11779.7 Ų79.761%0.61338%0.383SS*.Hα-helixtrans-64-40178.6-172.473.1000112.5Q296 K297 Q298 E303 K304Q296-L300 WeakPolarHBondContact O-CB 3.49Å; Q296-L300 PolarHBondContact O-N 3.27Å; K297-L300 PolarHBondContact O-N 3.13Å; Q298-L300 VanDerWaalsContact C-N 3.31Å; Q298-L300 PolarHBondContact O-N 3.49Å; L300-E303 PolarHBondContact O-N 3.38Å; L300-K304 PolarHBondContact O-N 3.02Å
301T86.2Confident78.7Confident84 Ų8485 Ų8552%0.51540%0.397SS..Hα-helixtrans-62.9-47.9174.4-57.80000111.1K297 Q298 M299 E303 K304K297-T301 PolarHBondContact O-N 3.03Å; K297-T301 VanDerWaalsContact O-N 3.15Å; K297-T301 PolarHBondContact O-OG1 3.29Å; Q298-T301 PolarHBondContact O-N 3.08Å; M299-T301 PolarHBondContact O-N 3.28Å; T301-E303 VanDerWaalsContact C-N 3.29Å; T301-E303 PolarHBondContact O-N 3.3Å; T301-K304 PolarHBondContact O-N 3.19Å
302L84.9Confident77.6Confident27 Ų2786 Ų8614%0.14140%0.4CS..Hα-helixtrans-64.4-34.7176.9-69.3166.6000111.9Q298 M299 K304 E305 V306 M723 M726 Y727Q298-L302 WeakPolarHBondContact O-CG 3.41Å; Q298-L302 PolarHBondContact O-N 3.07Å; M299-L302 PolarHBondContact O-N 2.95Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.32Å; L302-E305 PolarHBondContact O-N 2.65Å; L302-V306 VanDerWaalsContact O-CB 3.26Å; L302-V306 WeakPolarHBondContact O-CB 3.29Å; L302-V306 WeakPolarHBondContact O-CG2 3.39Å; L302-V306 PolarHBondContact O-N 2.98Å; L302-M723 HydrophobicContact CD2-CG 3.83Å; L302-M726 HydrophobicContact CD1-CB 4.16Å; L302-M726 HydrophobicContact CD1-CG 3.39Å; L302-M726 HydrophobicContact CD2-CG 4.36Å; L302-Y727 HydrophobicContact CB-CD2 4.1Å
303E84.7Confident76.4Confident53 Ų5387.1 Ų87.125%0.24841%0.41CS..Hα-helixtrans-61.3-40.7-179.2-174.2149.2-130.700111.7M299 L300 T301 E305 V306 E307 K310 Y727M299-E303 VanDerWaalsContact O-CB 3.27Å; M299-E303 WeakPolarHBondContact O-CB 3.47Å; M299-E303 PolarHBondContact O-N 3.07Å; L300-E303 PolarHBondContact O-N 3.38Å; T301-E303 VanDerWaalsContact C-N 3.29Å; T301-E303 PolarHBondContact O-N 3.3Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 3.44Å; E303-V306 PolarHBondContact O-N 3.42Å; E303-E307 VanDerWaalsContact O-CB 3.23Å; E303-E307 WeakPolarHBondContact O-CB 3.46Å; E303-E307 PolarHBondContact O-N 3.3Å; E303-K310 IonicContact OE1-NZ 3.39Å; E303-K310 PolarHBondContact OE1-NZ 2.7Å; E303-Y727 HydrophobicContact CB-CE2 3.86Å; E303-Y727 HydrophobicContact CG-CE2 4.21Å; E303-Y727 PolarHBondContact OE1-OH 3.46Å
304K80.6Confident75.1Confident157 Ų15786.6 Ų86.668%0.68341%0.412SS*.Hα-helixtrans-59.7-43.5176.2-173.4-178.5177-173.60112L300 T301 L302L300-K304 PolarHBondContact O-N 3.02Å; T301-K304 PolarHBondContact O-N 3.19Å; L302-K304 VanDerWaalsContact C-N 3.31Å; L302-K304 PolarHBondContact O-N 3.32Å
305E76.4Confident74Confident85 Ų8584.1 Ų84.140%0.39742%0.422SS..Hα-helixtrans-74.6-40.1179.1-61.9178.4-172.200111.2L302 E303 E307 E308 F309 M723L302-E305 PolarHBondContact O-N 2.65Å; E303-E305 VanDerWaalsContact C-N 3.33Å; E303-E305 PolarHBondContact O-N 3.44Å; E305-E307 VanDerWaalsContact C-N 3.32Å; E305-E307 PolarHBondContact O-N 3.28Å; E305-E308 WeakPolarHBondContact O-CB 3.34Å; E305-E308 PolarHBondContact O-N 2.94Å; E305-F309 WeakPolarHBondContact O-CD2 3.12Å; E305-F309 WeakPolarHBondContact O-CE2 3.22Å; E305-M723 HydrophobicContact CB-CE 4.07Å; E305-M723 HydrophobicContact CB-SD 3.47Å; E305-M723 WeakPolarHBondContact CB-SD 3.33Å; E305-M723 WeakPolarHBondContact OE2-CE 3.13Å
306V79.3Confident73.4Confident3 Ų386.7 Ų86.72%0.01844%0.436CS..Hα-helixtrans-67-30.9177.1170.30000112.2L302 E303 E308 F309 K310 M723 L724 Y727L302-V306 VanDerWaalsContact O-CB 3.26Å; L302-V306 WeakPolarHBondContact O-CB 3.29Å; L302-V306 WeakPolarHBondContact O-CG2 3.39Å; L302-V306 PolarHBondContact O-N 2.98Å; E303-V306 PolarHBondContact O-N 3.42Å; V306-E308 PolarHBondContact O-N 2.93Å; V306-F309 CarbonylContact O-C 3.57Å; V306-F309 WeakPolarHBondContact O-CA 3.46Å; V306-F309 WeakPolarHBondContact O-CB 3.19Å; V306-F309 PolarHBondContact O-N 3.48Å; V306-K310 HydrophobicContact CG1-CG 4.13Å; V306-K310 WeakPolarHBondContact O-CG 3.48Å; V306-K310 PolarHBondContact O-N 2.89Å; V306-M723 HydrophobicContact CG2-CG 3.96Å; V306-M723 HydrophobicContact CG2-SD 4.05Å; V306-L724 HydrophobicContact CG1-CD2 3.85Å; V306-L724 HydrophobicContact CG2-CD2 4.25Å; V306-Y727 HydrophobicContact CG1-CD1 4.14Å; V306-Y727 HydrophobicContact CG1-CE1 4.33Å; V306-Y727 HydrophobicContact CG1-CG 4.39Å; V306-Y727 HydrophobicContact CG2-CD2 4.44Å; V306-Y727 HydrophobicContact CG2-CG 4.08Å
307E74Confident72.7Confident112 Ų11285.3 Ų85.352%0.52344%0.441SS..Hα-helixtrans-62.1-32.3176.2-165.4139.3-120.900112.3E303 E305 F309 K310E303-E307 VanDerWaalsContact O-CB 3.23Å; E303-E307 WeakPolarHBondContact O-CB 3.46Å; E303-E307 PolarHBondContact O-N 3.3Å; E305-E307 VanDerWaalsContact C-N 3.32Å; E305-E307 PolarHBondContact O-N 3.28Å; E307-F309 PolarHBondContact O-N 3.42Å; E307-K310 PolarHBondContact O-N 3.39Å; E307-K310 IonicContact OE1-NZ 2.78Å
308E66.7Low72.1Confident144 Ų14481.3 Ų81.367%0.67343%0.433SS*.Hα-helixtrans-65.8-27170-57.9-177.9178.400112.2E305 V306E305-E308 WeakPolarHBondContact O-CB 3.34Å; E305-E308 PolarHBondContact O-N 2.94Å; V306-E308 PolarHBondContact O-N 2.93Å
309F63.9Low71.7Confident35 Ų3579.6 Ų79.615%0.15443%0.426CS..Hα-helixtrans-96.8-16179.5-57.3-61.9000114.4E305 V306 E307 H311 F312 R720 M723E305-F309 WeakPolarHBondContact O-CD2 3.12Å; E305-F309 WeakPolarHBondContact O-CE2 3.22Å; V306-F309 CarbonylContact O-C 3.57Å; V306-F309 WeakPolarHBondContact O-CA 3.46Å; V306-F309 WeakPolarHBondContact O-CB 3.19Å; V306-F309 PolarHBondContact O-N 3.48Å; E307-F309 PolarHBondContact O-N 3.42Å; F309-H311 PolarHBondContact O-N 3.11Å; F309-F312 VanDerWaalsContact O-CB 3.24Å; F309-F312 WeakPolarHBondContact O-CB 3.44Å; F309-F312 PolarHBondContact O-N 2.91Å; F309-R720 VanDerWaalsContact CD1-CD 3.46Å; F309-R720 HydrophobicContact CD1-CG 3.86Å; F309-R720 HydrophobicContact CD2-CG 4.36Å; F309-R720 HydrophobicContact CE1-CB 4.5Å; F309-R720 HydrophobicContact CE1-CG 4.12Å; F309-R720 HydrophobicContact CG-CG 4Å; F309-M723 HydrophobicContact CD2-SD 3.91Å; F309-M723 HydrophobicContact CE2-CE 3.91Å; F309-M723 HydrophobicContact CE2-SD 3.56Å; F309-M723 VanDerWaalsContact CE2-SD 3.56Å
310K57.2Low71.2Confident100 Ų10080.2 Ų80.244%0.43543%0.428SS..Hα-helixtrans-60.7-28.6-177.3-84.8178.4-173.1166.60112.8E303 V306 E307E303-K310 IonicContact OE1-NZ 3.39Å; E303-K310 PolarHBondContact OE1-NZ 2.7Å; V306-K310 HydrophobicContact CG1-CG 4.13Å; V306-K310 WeakPolarHBondContact O-CG 3.48Å; V306-K310 PolarHBondContact O-N 2.89Å; E307-K310 PolarHBondContact O-N 3.39Å; E307-K310 IonicContact OE1-NZ 2.78Å
311H53.9Low71Confident149 Ų14977 Ų7769%0.6941%0.414SS*.THydrogen-bonded Turntrans-95.41.6175.8-59.3-58.3000113.3F309 Q313 I319F309-H311 PolarHBondContact O-N 3.11Å; H311-Q313 PolarHBondContact O-N 3.4Å; H311-I319 WeakPolarHBondContact O-CD1 3.48Å
312F55.1Low70.8Confident42 Ų4279.3 Ų79.318%0.18442%0.416CS..  trans-82.2100.5-177.4-166.1-100.8000110.6F309 P314F309-F312 VanDerWaalsContact O-CB 3.24Å; F309-F312 WeakPolarHBondContact O-CB 3.44Å; F309-F312 PolarHBondContact O-N 2.91Å; F312-P314 HydrophobicContact CD1-CG 4.15Å; F312-P314 HydrophobicContact CE1-CB 4.35Å; F312-P314 HydrophobicContact CE1-CG 3.98Å
313Q58.6Low70.7Confident131 Ų13179 Ų7961%0.61242%0.417SS*.  trans-99.3113163.3-68.7-170.211.700108.7H311 G315 D316H311-Q313 PolarHBondContact O-N 3.4Å; Q313-G315 PolarHBondContact O-N 3.43Å; Q313-D316 HydrophobicContact CB-CB 4.11Å; Q313-D316 PolarHBondContact O-N 2.93Å; Q313-D316 VanDerWaalsContact O-N 3.12Å
314P55.9Low70.8Confident78 Ų7876.5 Ų76.551%0.50641%0.406SS..THydrogen-bonded Turntrans-58-15.5-175.8-24.832.6000115.3F312 K320F312-P314 HydrophobicContact CD1-CG 4.15Å; F312-P314 HydrophobicContact CE1-CB 4.35Å; F312-P314 HydrophobicContact CE1-CG 3.98Å; P314-K320 WeakPolarHBondContact O-CE 3.43Å; P314-K320 PolarHBondContact O-NZ 3.21Å; P314-K320 VanDerWaalsContact O-NZ 3.12Å
315G60.2Low71.1Confident74 Ų7472.1 Ų72.176%0.76339%0.389SS*.THydrogen-bonded Turntrans-104.7-5.6-179.100000115.9Q313 A317Q313-G315 PolarHBondContact O-N 3.43Å; G315-A317 PolarHBondContact O-N 2.97Å
316D71.8Confident71.6Confident54 Ų5473.1 Ų73.129%0.28939%0.394SS..  trans-84.1110.4-177.3-169.3-21.2000111Q313 S318 I319 K320Q313-D316 HydrophobicContact CB-CB 4.11Å; Q313-D316 PolarHBondContact O-N 2.93Å; Q313-D316 VanDerWaalsContact O-N 3.12Å; D316-S318 VanDerWaalsContact CG-OG 3.27Å; D316-S318 PolarHBondContact O-N 2.99Å; D316-S318 WeakPolarHBondContact OD1-CB 3.36Å; D316-S318 PolarHBondContact OD1-N 3.44Å; D316-S318 PolarHBondContact OD1-OG 2.84Å; D316-S318 PolarHBondContact OD2-OG 3.47Å; D316-I319 HydrophobicContact CB-CB 4.28Å; D316-I319 HydrophobicContact CB-CD1 3.83Å; D316-I319 HydrophobicContact CB-CG1 3.9Å; D316-I319 PolarHBondContact O-N 3.45Å; D316-K320 PolarHBondContact O-N 3.3Å
317A71.1Confident72Confident68 Ų6875.1 Ų75.156%0.56240%0.404SS*.Hα-helixtrans-59.7-33179.500000112.6G315 I319 K320 T321G315-A317 PolarHBondContact O-N 2.97Å; A317-I319 VanDerWaalsContact C-N 3.33Å; A317-I319 PolarHBondContact O-N 2.82Å; A317-K320 PolarHBondContact O-N 3.22Å; A317-T321 WeakPolarHBondContact O-CB 3.49Å; A317-T321 PolarHBondContact O-N 3.39Å; A317-T321 PolarHBondContact O-OG1 3.04Å
318S76.4Confident72.9Confident75 Ų7569.9 Ų69.952%0.52438%0.379SS..Hα-helixtrans-67.2-35.6-179.472.80000112.1D316 K322D316-S318 VanDerWaalsContact CG-OG 3.27Å; D316-S318 PolarHBondContact O-N 2.99Å; D316-S318 WeakPolarHBondContact OD1-CB 3.36Å; D316-S318 PolarHBondContact OD1-N 3.44Å; D316-S318 PolarHBondContact OD1-OG 2.84Å; D316-S318 PolarHBondContact OD2-OG 3.47Å; S318-K322 PolarHBondContact O-N 3.41Å
319I74.8Confident74Confident48 Ų4867.7 Ų67.725%0.24637%0.369CS..Hα-helixtrans-75.3-41.4-179.3-57.8-176.9000110.5H311 D316 A317 T321 K322 A323H311-I319 WeakPolarHBondContact O-CD1 3.48Å; D316-I319 HydrophobicContact CB-CB 4.28Å; D316-I319 HydrophobicContact CB-CD1 3.83Å; D316-I319 HydrophobicContact CB-CG1 3.9Å; D316-I319 PolarHBondContact O-N 3.45Å; A317-I319 VanDerWaalsContact C-N 3.33Å; A317-I319 PolarHBondContact O-N 2.82Å; I319-T321 VanDerWaalsContact C-N 3.32Å; I319-T321 PolarHBondContact O-N 3.01Å; I319-K322 PolarHBondContact O-N 3.19Å; I319-A323 WeakPolarHBondContact O-CB 3.44Å; I319-A323 PolarHBondContact O-N 3.35Å
320K77.2Confident75.3Confident48 Ų4870.4 Ų70.421%0.20938%0.382CS..Hα-helixtrans-59.7-44.3173.7-71-176.5177-1760111.4P314 D316 A317 K322 A323 M324 M710P314-K320 WeakPolarHBondContact O-CE 3.43Å; P314-K320 PolarHBondContact O-NZ 3.21Å; P314-K320 VanDerWaalsContact O-NZ 3.12Å; D316-K320 PolarHBondContact O-N 3.3Å; A317-K320 PolarHBondContact O-N 3.22Å; K320-K322 PolarHBondContact O-N 3.2Å; K320-A323 PolarHBondContact O-N 3.24Å; K320-M324 WeakPolarHBondContact O-CB 3.26Å; K320-M324 PolarHBondContact O-N 3.36Å; K320-M710 HydrophobicContact CB-CB 4.17Å; K320-M710 HydrophobicContact CB-CG 4.27Å; K320-M710 HydrophobicContact CD-CB 4.05Å; K320-M710 HydrophobicContact CG-CB 4.19Å; K320-M710 WeakPolarHBondContact O-CE 3.34Å
321T81.6Confident77Confident51 Ų5165.8 Ų65.831%0.31336%0.362SS..Hα-helixtrans-59.7-47.1176.4-550000111.4A317 I319 M324 L325 Y701A317-T321 WeakPolarHBondContact O-CB 3.49Å; A317-T321 PolarHBondContact O-N 3.39Å; A317-T321 PolarHBondContact O-OG1 3.04Å; I319-T321 VanDerWaalsContact C-N 3.32Å; I319-T321 PolarHBondContact O-N 3.01Å; T321-M324 PolarHBondContact O-N 3.42Å; T321-L325 PolarHBondContact O-N 3.25Å; T321-Y701 WeakPolarHBondContact CG2-OH 3.43Å
322K83.1Confident78.9Confident132 Ų13260.5 Ų60.557%0.57434%0.338SS*.Hα-helixtrans-63.6-43.6176.8-177.2177.5178.1-177.80112.5S318 I319 K320 L325 Q326S318-K322 PolarHBondContact O-N 3.41Å; I319-K322 PolarHBondContact O-N 3.19Å; K320-K322 PolarHBondContact O-N 3.2Å; K322-L325 PolarHBondContact O-N 3.43Å; K322-Q326 WeakPolarHBondContact O-CG 3.35Å; K322-Q326 PolarHBondContact O-N 3.35Å
323A81.8Confident80.6Confident19 Ų1961.2 Ų61.216%0.15735%0.348CS..Hα-helixtrans-63-45.1178.300000111I319 K320 L325 Q326 M327 M710I319-A323 WeakPolarHBondContact O-CB 3.44Å; I319-A323 PolarHBondContact O-N 3.35Å; K320-A323 PolarHBondContact O-N 3.24Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 2.88Å; A323-Q326 PolarHBondContact O-N 2.95Å; A323-M327 VanDerWaalsContact O-CG 3.23Å; A323-M327 WeakPolarHBondContact O-CG 3.3Å; A323-M327 PolarHBondContact O-N 2.86Å; A323-M710 HydrophobicContact CB-CE 3.81Å
324M86.4Confident82.1Confident2 Ų255.4 Ų55.41%0.0132%0.321CS..Hα-helixtrans-56.7-47.3175.2-174.4179.8172.100111.6K320 T321 Q326 M327 I328 L448 L700 M709 M710K320-M324 WeakPolarHBondContact O-CB 3.26Å; K320-M324 PolarHBondContact O-N 3.36Å; T321-M324 PolarHBondContact O-N 3.42Å; M324-Q326 PolarHBondContact O-N 3.46Å; M324-M327 PolarHBondContact O-N 2.71Å; M324-I328 HydrophobicContact CE-CD1 4.03Å; M324-I328 HydrophobicContact CG-CD1 3.85Å; M324-I328 WeakPolarHBondContact O-CD1 3.3Å; M324-I328 WeakPolarHBondContact O-CG1 3.23Å; M324-I328 PolarHBondContact O-N 3.29Å; M324-L448 HydrophobicContact CE-CD1 4Å; M324-L448 HydrophobicContact CG-CD1 4.06Å; M324-L448 HydrophobicContact CG-CD2 4.45Å; M324-L448 HydrophobicContact SD-CD1 4.48Å; M324-L700 HydrophobicContact CE-CB 3.32Å; M324-L700 HydrophobicContact CE-CD1 3.98Å; M324-L700 HydrophobicContact CE-CG 4.17Å; M324-M709 HydrophobicContact CE-CE 4.45Å; M324-M710 HydrophobicContact CB-CE 4.13Å; M324-M710 HydrophobicContact CB-CG 4.47Å; M324-M710 HydrophobicContact CB-SD 3.74Å; M324-M710 HydrophobicContact CG-SD 4.13Å
325L87.1Confident83.8Confident64 Ų6452 Ų5234%0.33530%0.298SS..Hα-helixtrans-58.7-46.4176.8-178.369.1000112T321 K322 A323 M327 I328 Q329 L697T321-L325 PolarHBondContact O-N 3.25Å; K322-L325 PolarHBondContact O-N 3.43Å; A323-L325 VanDerWaalsContact C-N 3.34Å; A323-L325 PolarHBondContact O-N 2.88Å; L325-M327 VanDerWaalsContact C-N 3.35Å; L325-M327 PolarHBondContact O-N 3.38Å; L325-I328 PolarHBondContact O-N 3Å; L325-Q329 WeakPolarHBondContact O-CB 3.41Å; L325-Q329 WeakPolarHBondContact O-CG 3.39Å; L325-Q329 PolarHBondContact O-N 2.65Å; L325-L697 HydrophobicContact CD1-CD1 4.42Å; L325-L697 HydrophobicContact CD1-CD2 3.69Å
326Q87.9Confident85.2Confident107 Ų10751.5 Ų51.550%0.528%0.276SS..Hα-helixtrans-62.4-40.9178.5-74.1178.7-31.800112.1K322 A323 M324 I328 Q329 Q330K322-Q326 WeakPolarHBondContact O-CG 3.35Å; K322-Q326 PolarHBondContact O-N 3.35Å; A323-Q326 PolarHBondContact O-N 2.95Å; M324-Q326 PolarHBondContact O-N 3.46Å; Q326-I328 VanDerWaalsContact C-N 3.34Å; Q326-Q329 PolarHBondContact O-N 3.25Å; Q326-Q330 WeakPolarHBondContact O-CB 3.29Å; Q326-Q330 PolarHBondContact O-N 3.02Å
327M88.4Confident86Confident45 Ų4553 Ų5322%0.22228%0.278CS..Hα-helixtrans-65.7-38.8177.7-64.3-61.8-73.500111.5A323 M324 L325 Q330 L331 K441 M442 L448A323-M327 VanDerWaalsContact O-CG 3.23Å; A323-M327 WeakPolarHBondContact O-CG 3.3Å; A323-M327 PolarHBondContact O-N 2.86Å; M324-M327 PolarHBondContact O-N 2.71Å; L325-M327 VanDerWaalsContact C-N 3.35Å; L325-M327 PolarHBondContact O-N 3.38Å; M327-Q330 PolarHBondContact O-N 3.04Å; M327-L331 WeakPolarHBondContact O-CB 3.45Å; M327-L331 PolarHBondContact O-N 3.07Å; M327-K441 VanDerWaalsContact CE-O 3.29Å; M327-K441 WeakPolarHBondContact CE-O 3.43Å; M327-M442 VanDerWaalsContact C-CE 3.49Å; M327-M442 HydrophobicContact CB-CE 3.93Å; M327-M442 HydrophobicContact CB-CG 4.43Å; M327-M442 VanDerWaalsContact CE-CA 3.49Å; M327-M442 HydrophobicContact CE-CB 4Å; M327-M442 HydrophobicContact CE-CG 3.71Å; M327-M442 WeakPolarHBondContact O-CE 3.39Å; M327-L448 HydrophobicContact CB-CD2 4.41Å
328I91.6Very high86.9Confident1 Ų151.8 Ų51.81%0.00526%0.264CS..Hα-helixtrans-69.8-41.8177.3-67.1162.9000110.9M324 L325 Q326 Q330 L331 Q332 M442 L696 L697 L700M324-I328 HydrophobicContact CE-CD1 4.03Å; M324-I328 HydrophobicContact CG-CD1 3.85Å; M324-I328 WeakPolarHBondContact O-CD1 3.3Å; M324-I328 WeakPolarHBondContact O-CG1 3.23Å; M324-I328 PolarHBondContact O-N 3.29Å; L325-I328 PolarHBondContact O-N 3Å; Q326-I328 VanDerWaalsContact C-N 3.34Å; I328-Q330 VanDerWaalsContact C-N 3.3Å; I328-Q330 PolarHBondContact O-N 3.49Å; I328-L331 WeakPolarHBondContact O-CB 3.43Å; I328-L331 PolarHBondContact O-N 3.14Å; I328-Q332 VanDerWaalsContact O-CG 3.27Å; I328-Q332 WeakPolarHBondContact O-CG 3.2Å; I328-Q332 PolarHBondContact O-N 2.95Å; I328-M442 HydrophobicContact CG1-CE 4.42Å; I328-L696 HydrophobicContact CG2-CD2 4.35Å; I328-L697 HydrophobicContact CD1-CD1 3.27Å; I328-L700 HydrophobicContact CD1-CD1 3.46Å; I328-L700 VanDerWaalsContact CD1-CD1 3.46Å; I328-L700 HydrophobicContact CG1-CD1 4.07Å
329Q91.1Very high87.6Confident99 Ų9949.6 Ų49.646%0.46325%0.246SC..Hα-helixtrans-61.3-39.4173.3-73.7174.7-13.500112.1L325 Q326 Q332 S333L325-Q329 WeakPolarHBondContact O-CB 3.41Å; L325-Q329 WeakPolarHBondContact O-CG 3.39Å; L325-Q329 PolarHBondContact O-N 2.65Å; Q326-Q329 PolarHBondContact O-N 3.25Å; Q329-Q332 WeakPolarHBondContact O-CB 3.32Å; Q329-Q332 PolarHBondContact O-N 3.41Å; Q329-S333 PolarHBondContact O-N 2.9Å; Q329-S333 VanDerWaalsContact O-N 3.08Å
330Q90.2Very high88.2Confident91 Ų9152.6 Ų52.643%0.42526%0.259SS..Hα-helixtrans-64.2-42.6174.4-175.758.452.800111.3Q326 M327 I328 S333 D334Q326-Q330 WeakPolarHBondContact O-CB 3.29Å; Q326-Q330 PolarHBondContact O-N 3.02Å; M327-Q330 PolarHBondContact O-N 3.04Å; I328-Q330 VanDerWaalsContact C-N 3.3Å; I328-Q330 PolarHBondContact O-N 3.49Å; Q330-S333 PolarHBondContact O-N 3.31Å; Q330-D334 PolarHBondContact NE2-OD1 3.42Å; Q330-D334 VanDerWaalsContact NE2-OD1 3.13Å; Q330-D334 PolarHBondContact NE2-OD2 3.45Å; Q330-D334 VanDerWaalsContact O-CB 3.32Å; Q330-D334 WeakPolarHBondContact O-CB 3.46Å; Q330-D334 VanDerWaalsContact O-CG 3.28Å; Q330-D334 PolarHBondContact O-N 3.35Å
331L93.6Very high88.3Confident4 Ų453.4 Ų53.42%0.02128%0.281CS..Hα-helixtrans-59.7-45.4174.5-177.280.7000111.9M327 I328 D334 F335 C438 T439 M442 T452 I456 L696M327-L331 WeakPolarHBondContact O-CB 3.45Å; M327-L331 PolarHBondContact O-N 3.07Å; I328-L331 WeakPolarHBondContact O-CB 3.43Å; I328-L331 PolarHBondContact O-N 3.14Å; L331-D334 PolarHBondContact O-N 2.67Å; L331-F335 VanDerWaalsContact O-CB 3.3Å; L331-F335 WeakPolarHBondContact O-CB 3.44Å; L331-F335 PolarHBondContact O-N 2.85Å; L331-C438 HydrophobicContact CD1-CB 3.49Å; L331-C438 VanDerWaalsContact CD1-CB 3.49Å; L331-T439 HydrophobicContact CD1-CG2 3.7Å; L331-M442 HydrophobicContact CB-CE 3.68Å; L331-M442 HydrophobicContact CD1-CE 4.3Å; L331-M442 HydrophobicContact CD2-CE 4.08Å; L331-M442 HydrophobicContact CG-CE 4.25Å; L331-T452 HydrophobicContact CD2-CG2 3.58Å; L331-I456 HydrophobicContact CD2-CD1 3.77Å; L331-L696 HydrophobicContact CD2-CD2 3.8Å
332Q92.4Very high87.7Confident38 Ų3854.4 Ų54.418%0.17829%0.29CS..Hα-helixtrans-55.5-53.5177.2-73167.5-7.200110.7I328 Q329 D334 F335 E336 I692 N693I328-Q332 VanDerWaalsContact O-CG 3.27Å; I328-Q332 WeakPolarHBondContact O-CG 3.2Å; I328-Q332 PolarHBondContact O-N 2.95Å; Q329-Q332 WeakPolarHBondContact O-CB 3.32Å; Q329-Q332 PolarHBondContact O-N 3.41Å; Q332-D334 PolarHBondContact O-N 2.91Å; Q332-F335 PolarHBondContact O-N 3.09Å; Q332-E336 WeakPolarHBondContact O-CB 3.21Å; Q332-E336 PolarHBondContact O-N 3.2Å; Q332-I692 HydrophobicContact CB-CG2 4.5Å; Q332-I692 HydrophobicContact CG-CG2 3.78Å; Q332-I692 PolarHBondContact NE2-O 3.25Å; Q332-N693 WeakPolarHBondContact CB-OD1 3.42Å; Q332-N693 WeakPolarHBondContact CG-OD1 3.25Å; Q332-N693 PolarHBondContact NE2-O 3.02Å
333S90.8Very high86.4Confident57 Ų5749.5 Ų49.540%0.39928%0.277SS..Hα-helixtrans-63.3-40.3179.1-179.10000112.7Q329 Q330 R337Q329-S333 PolarHBondContact O-N 2.9Å; Q329-S333 VanDerWaalsContact O-N 3.08Å; Q330-S333 PolarHBondContact O-N 3.31Å; S333-R337 WeakPolarHBondContact O-CB 3.39Å; S333-R337 PolarHBondContact O-N 3.42Å
334D90.2Very high84.7Confident9 Ų954.3 Ų54.35%0.04831%0.309CS..Hα-helixtrans-68.5-39.5179.5-78.1-35.8000112.5Q330 L331 Q332 T338 C438 K441Q330-D334 PolarHBondContact NE2-OD1 3.42Å; Q330-D334 VanDerWaalsContact NE2-OD1 3.13Å; Q330-D334 PolarHBondContact NE2-OD2 3.45Å; Q330-D334 VanDerWaalsContact O-CB 3.32Å; Q330-D334 WeakPolarHBondContact O-CB 3.46Å; Q330-D334 VanDerWaalsContact O-CG 3.28Å; Q330-D334 PolarHBondContact O-N 3.35Å; L331-D334 PolarHBondContact O-N 2.67Å; Q332-D334 PolarHBondContact O-N 2.91Å; D334-T338 VanDerWaalsContact O-CB 3.31Å; D334-T338 WeakPolarHBondContact O-CB 3.35Å; D334-T338 PolarHBondContact O-N 2.92Å; D334-T338 PolarHBondContact O-OG1 2.8Å; D334-C438 HydrophobicContact CB-CB 4.42Å; D334-K441 IonicContact OD1-NZ 2.74Å; D334-K441 PolarHBondContact OD1-NZ 2.77Å; D334-K441 VanDerWaalsContact OD2-CD 3.27Å; D334-K441 WeakPolarHBondContact OD2-CD 3.38Å; D334-K441 WeakPolarHBondContact OD2-CE 3.34Å; D334-K441 IonicContact OD2-NZ 3.17Å; D334-K441 PolarHBondContact OD2-NZ 2.84Å
335F92.4Very high83.2Confident5 Ų557.2 Ų57.22%0.02233%0.334CS..Hα-helixtrans-64.1-50.1176.6-178.1-93.5000110.7L331 Q332 R337 T338 I339 L431 V434 V435 A688 K689 I692L331-F335 VanDerWaalsContact O-CB 3.3Å; L331-F335 WeakPolarHBondContact O-CB 3.44Å; L331-F335 PolarHBondContact O-N 2.85Å; Q332-F335 PolarHBondContact O-N 3.09Å; F335-R337 PolarHBondContact O-N 3.04Å; F335-T338 PolarHBondContact O-N 3.09Å; F335-I339 HydrophobicContact CD1-CG1 4.39Å; F335-I339 HydrophobicContact CE1-CG1 4.12Å; F335-I339 HydrophobicContact CE2-CG1 4.42Å; F335-I339 HydrophobicContact CZ-CG1 4.16Å; F335-I339 WeakPolarHBondContact O-CG1 3.36Å; F335-I339 PolarHBondContact O-N 2.92Å; F335-L431 HydrophobicContact CE2-CD1 3.79Å; F335-L431 HydrophobicContact CZ-CD1 3.66Å; F335-V434 HydrophobicContact CD2-CG1 3.87Å; F335-V434 HydrophobicContact CE2-CG1 4.1Å; F335-V435 HydrophobicContact CD2-CG2 4.41Å; F335-V435 HydrophobicContact CE2-CG2 3.95Å; F335-A688 HydrophobicContact CZ-CB 4.5Å; F335-K689 HydrophobicContact CE1-CB 4.24Å; F335-I692 HydrophobicContact CD1-CD1 3.86Å; F335-I692 HydrophobicContact CD2-CD1 3.9Å; F335-I692 HydrophobicContact CE1-CD1 3.82Å; F335-I692 HydrophobicContact CE2-CD1 3.86Å; F335-I692 HydrophobicContact CG-CD1 3.89Å; F335-I692 HydrophobicContact CZ-CD1 3.8Å
336E90.3Very high81.7Confident65 Ų6562.9 Ų62.930%0.30436%0.364SS..Hα-helixtrans-58.5-48.2177.4-176.5168-152.200111.4Q332 T338 I339 E340 K689Q332-E336 WeakPolarHBondContact O-CB 3.21Å; Q332-E336 PolarHBondContact O-N 3.2Å; E336-T338 VanDerWaalsContact C-N 3.31Å; E336-T338 PolarHBondContact O-N 3.46Å; E336-I339 PolarHBondContact O-N 2.85Å; E336-E340 HydrophobicContact CG-CG 4.38Å; E336-E340 WeakPolarHBondContact O-CB 3.44Å; E336-E340 WeakPolarHBondContact O-CG 3.47Å; E336-E340 PolarHBondContact O-N 2.9Å; E336-K689 WeakPolarHBondContact OE1-CE 3.34Å; E336-K689 IonicContact OE1-NZ 3.37Å; E336-K689 PolarHBondContact OE1-NZ 3.26Å
337R88.3Confident80.5Confident85 Ų8563.3 Ų63.332%0.32137%0.373SS..Hα-helixtrans-59.1-39.6177.2174.7176.1-85.1172.1-10.5112.9S333 F335 G341 S342 G343S333-R337 WeakPolarHBondContact O-CB 3.39Å; S333-R337 PolarHBondContact O-N 3.42Å; F335-R337 PolarHBondContact O-N 3.04Å; R337-G341 WeakPolarHBondContact O-CA 3.49Å; R337-G341 PolarHBondContact O-N 2.81Å; R337-S342 PolarHBondContact NE-O 3.29Å; R337-S342 PolarHBondContact O-N 2.86Å; R337-G343 VanDerWaalsContact CD-CA 3.49Å
338T89Confident79.4Confident43 Ų4365.1 Ų65.126%0.26438%0.384SS..Hα-helixtrans-74.1-32.2-177.7-56.30000112.1D334 F335 E336 G355 V434D334-T338 VanDerWaalsContact O-CB 3.31Å; D334-T338 WeakPolarHBondContact O-CB 3.35Å; D334-T338 PolarHBondContact O-N 2.92Å; D334-T338 PolarHBondContact O-OG1 2.8Å; F335-T338 PolarHBondContact O-N 3.09Å; E336-T338 VanDerWaalsContact C-N 3.31Å; E336-T338 PolarHBondContact O-N 3.46Å; T338-G355 PolarHBondContact O-N 3.42Å; T338-V434 HydrophobicContact CG2-CG1 3.77Å; T338-V434 HydrophobicContact CG2-CG2 4.06Å
339I90.8Very high78.5Confident28 Ų2871.1 Ų71.114%0.14442%0.421CS..Hα-helixtrans-81.5-40.2177.7-64.7-63.5000111.8F335 E336 G355 I358 L431 V434 I685F335-I339 HydrophobicContact CD1-CG1 4.39Å; F335-I339 HydrophobicContact CE1-CG1 4.12Å; F335-I339 HydrophobicContact CE2-CG1 4.42Å; F335-I339 HydrophobicContact CZ-CG1 4.16Å; F335-I339 WeakPolarHBondContact O-CG1 3.36Å; F335-I339 PolarHBondContact O-N 2.92Å; E336-I339 PolarHBondContact O-N 2.85Å; I339-G355 WeakPolarHBondContact O-CA 3.33Å; I339-I358 HydrophobicContact CD1-CD1 3.87Å; I339-L431 HydrophobicContact CD1-CD1 3.76Å; I339-V434 HydrophobicContact CD1-CG1 4.16Å; I339-V434 HydrophobicContact CD1-CG2 4.2Å; I339-V434 HydrophobicContact CG1-CG1 4.42Å; I339-I685 HydrophobicContact CG2-CG2 3.82Å
340E87.9Confident77.6Confident111 Ų11173.2 Ų73.252%0.51944%0.435SS..Hα-helixtrans-89.1-17.9-176.9-63.9-177.9178.200113.5E336 K689E336-E340 HydrophobicContact CG-CG 4.38Å; E336-E340 WeakPolarHBondContact O-CB 3.44Å; E336-E340 WeakPolarHBondContact O-CG 3.47Å; E336-E340 PolarHBondContact O-N 2.9Å; E340-K689 IonicContact OE1-NZ 2.64Å; E340-K689 PolarHBondContact OE1-NZ 3.28Å
341G80Confident76.9Confident66 Ų6675.9 Ų75.968%0.6845%0.447SS*.  trans80.414.4-179.300000114.6R337 G343R337-G341 WeakPolarHBondContact O-CA 3.49Å; R337-G341 PolarHBondContact O-N 2.81Å; G341-G343 VanDerWaalsContact C-N 3.28Å; G341-G343 PolarHBondContact O-N 3.38Å; G341-G343 VanDerWaalsContact O-N 3.08Å
342S68.9Low76.4Confident71 Ų7180.2 Ų80.250%0.49747%0.47SS..  trans-84.746.2-174.944.20000114R337R337-S342 PolarHBondContact NE-O 3.29Å; R337-S342 PolarHBondContact O-N 2.86Å
343G55.2Low75.9Confident29 Ų2980.6 Ų80.630%0.29948%0.477SS..  trans-108.3115.3-167.400000118.7R337 G341 A345R337-G343 VanDerWaalsContact CD-CA 3.49Å; G341-G343 VanDerWaalsContact C-N 3.28Å; G341-G343 PolarHBondContact O-N 3.38Å; G341-G343 VanDerWaalsContact O-N 3.08Å; G343-A345 PolarHBondContact O-N 2.98Å
344S46.8Very low75.7Confident120 Ų12078 Ų7884%0.83946%0.459SS*.  trans-76.11.1165.9177.70000114.3
345A54.9Low75.7Confident64 Ų6478.3 Ų78.353%0.52946%0.464SS..SBendtrans-86.6151.817300000109.6G343 V347G343-A345 PolarHBondContact O-N 2.98Å; A345-V347 PolarHBondContact O-N 3.47Å
346L55.5Low75.6Confident183 Ų18380.5 Ų80.596%0.95848%0.483SS*.  trans-37.499.7178.9-74.4156.1000111.4N348L346-N348 PolarHBondContact O-N 3.15Å
347V63.3Low75.7Confident115 Ų11581.5 Ų81.570%0.69749%0.486SS*.  trans-60.8124.1178.3177.10000106.9A345 T349A345-V347 PolarHBondContact O-N 3.47Å; V347-T349 PolarHBondContact O-N 3.37Å
348N63.7Low75.9Confident84 Ų8477.8 Ų77.845%0.44947%0.473SS..  trans-64.4110.6176.6-174.6-13.3000108.5L346 N350 E351L346-N348 PolarHBondContact O-N 3.15Å; N348-N350 PolarHBondContact OD1-N 3.46Å; N348-E351 PolarHBondContact OD1-N 3.28Å
349T73.9Confident76.2Confident127 Ų12780.1 Ų80.178%0.77948%0.484SS*.SBendtrans-85.5-10.7-178.653.10000113.4V347V347-T349 PolarHBondContact O-N 3.37Å
350N71.5Confident76.3Confident142 Ų14284.9 Ų84.976%0.75950%0.5SS*.SBendtrans-94.2-34.2-171.1-62.9-17.8000112.1N348N348-N350 PolarHBondContact OD1-N 3.46Å
351E76.5Confident76.6Confident147 Ų14780.3 Ų80.369%0.68748%0.479SS*.SBendtrans-140.2142.1-174-64.6-175.4179.500112.9N348 S353N348-E351 PolarHBondContact OD1-N 3.28Å; E351-S353 PolarHBondContact O-N 3.16Å
352L81.8Confident77.3Confident96 Ų9677.8 Ų77.850%0.50345%0.449SS..  trans-67127.6169-71.2165.8000109.6A356 K357L352-A356 HydrophobicContact CD2-CB 3.92Å; L352-K357 HydrophobicContact CB-CB 4.49Å
353S82.7Confident78.2Confident46 Ų4679.1 Ų79.132%0.32245%0.448SS..  trans-137.5154.9-178.553.40000112.1E351 G355 A356E351-S353 PolarHBondContact O-N 3.16Å; S353-G355 PolarHBondContact O-N 2.92Å; S353-A356 PolarHBondContact O-N 3.39Å
354G86.9Confident79.9Confident1 Ų183 Ų831%0.0146%0.458CS..THydrogen-bonded Turntrans57.7-125.3171.100000113A356 K357 I358 E430G354-A356 VanDerWaalsContact C-N 3.29Å; G354-A356 PolarHBondContact O-N 3.35Å; G354-K357 PolarHBondContact O-N 3.28Å; G354-K357 VanDerWaalsContact O-N 3.13Å; G354-I358 WeakPolarHBondContact O-CG1 3.39Å; G354-I358 PolarHBondContact O-N 3Å; G354-E430 PolarHBondContact N-OE1 2.89Å
355G89.7Confident81.9Confident16 Ų1682 Ų8217%0.16544%0.436CS..Hα-helixtrans-55.1-39.7-17800000114.5T338 I339 S353 K357 I358 N359T338-G355 PolarHBondContact O-N 3.42Å; I339-G355 WeakPolarHBondContact O-CA 3.33Å; S353-G355 PolarHBondContact O-N 2.92Å; G355-K357 VanDerWaalsContact C-N 3.33Å; G355-K357 PolarHBondContact O-N 2.82Å; G355-I358 PolarHBondContact O-N 3.02Å; G355-N359 WeakPolarHBondContact O-CB 3.48Å; G355-N359 PolarHBondContact O-N 3.3Å
356A89.9Confident83.6Confident51 Ų5179.1 Ų79.142%0.42141%0.411SS..Hα-helixtrans-66.8-35.6-179.600000112.2L352 S353 G354 R360L352-A356 HydrophobicContact CD2-CB 3.92Å; S353-A356 PolarHBondContact O-N 3.39Å; G354-A356 VanDerWaalsContact C-N 3.29Å; G354-A356 PolarHBondContact O-N 3.35Å; A356-R360 PolarHBondContact O-N 2.87Å; A356-R360 VanDerWaalsContact O-N 3.11Å
357K91.8Very high85.1Confident86 Ų8676 Ų7637%0.37439%0.387SS..Hα-helixtrans-75-37177.4-171.8161.1164-150.60111.8L352 G354 G355 N359 R360 I361 E430L352-K357 HydrophobicContact CB-CB 4.49Å; G354-K357 PolarHBondContact O-N 3.28Å; G354-K357 VanDerWaalsContact O-N 3.13Å; G355-K357 VanDerWaalsContact C-N 3.33Å; G355-K357 PolarHBondContact O-N 2.82Å; K357-N359 VanDerWaalsContact C-N 3.34Å; K357-R360 WeakPolarHBondContact O-CB 3.2Å; K357-R360 PolarHBondContact O-N 2.99Å; K357-I361 WeakPolarHBondContact O-CG1 3.29Å; K357-I361 PolarHBondContact O-N 2.93Å; K357-E430 HydrophobicContact CB-CG 4.22Å; K357-E430 HydrophobicContact CD-CG 4.45Å; K357-E430 VanDerWaalsContact CD-OE2 3.22Å; K357-E430 WeakPolarHBondContact CD-OE2 3.43Å; K357-E430 WeakPolarHBondContact CE-OE2 3.16Å; K357-E430 HydrophobicContact CG-CG 4.28Å; K357-E430 IonicContact NZ-OE2 2.76Å; K357-E430 PolarHBondContact NZ-OE2 3.5Å
358I94.2Very high86.2Confident7 Ų775.8 Ų75.84%0.03638%0.377CS..Hα-helixtrans-59.4-45.9170.2-67.5170.8000110.7I339 G354 G355 R360 I361 F362 V427 E430 I685I339-I358 HydrophobicContact CD1-CD1 3.87Å; G354-I358 WeakPolarHBondContact O-CG1 3.39Å; G354-I358 PolarHBondContact O-N 3Å; G355-I358 PolarHBondContact O-N 3.02Å; I358-R360 VanDerWaalsContact C-N 3.32Å; I358-R360 PolarHBondContact O-N 2.69Å; I358-I361 WeakPolarHBondContact O-CB 3.25Å; I358-I361 PolarHBondContact O-N 2.94Å; I358-F362 HydrophobicContact CG2-CD2 3.99Å; I358-F362 HydrophobicContact CG2-CE1 4.44Å; I358-F362 HydrophobicContact CG2-CE2 3.43Å; I358-F362 VanDerWaalsContact CG2-CE2 3.43Å; I358-F362 HydrophobicContact CG2-CZ 3.69Å; I358-F362 PolarHBondContact O-N 3.01Å; I358-V427 HydrophobicContact CG2-CG1 4.41Å; I358-E430 HydrophobicContact CD1-CG 4.49Å; I358-E430 HydrophobicContact CG1-CB 4.28Å; I358-E430 HydrophobicContact CG1-CG 3.9Å; I358-I685 HydrophobicContact CD1-CD1 4.2Å; I358-I685 HydrophobicContact CG2-CD1 3.91Å
359N93.4Very high87.2Confident92 Ų9272.5 Ų72.549%0.49236%0.359SS..Hα-helixtrans-56.9-45.2176.3-175.5-42.9000111.5G355 K357 I361 F362 H363G355-N359 WeakPolarHBondContact O-CB 3.48Å; G355-N359 PolarHBondContact O-N 3.3Å; K357-N359 VanDerWaalsContact C-N 3.34Å; N359-I361 VanDerWaalsContact C-N 3.34Å; N359-I361 PolarHBondContact O-N 2.88Å; N359-F362 PolarHBondContact O-N 2.8Å; N359-H363 PolarHBondContact O-CD2 3.22Å; N359-H363 PolarHBondContact O-N 2.95Å; N359-H363 PolarHBondContact OD1-CD2 3.39Å; N359-H363 VanDerWaalsContact OD1-CD2 3.26Å
360R93.6Very high87.8Confident129 Ų12967 Ų6749%0.48732%0.324SS..Hα-helixtrans-59.7-41.4174-172.5176.2-178.9-162.6-3.3112.8A356 K357 I358 F362 E364 R365A356-R360 PolarHBondContact O-N 2.87Å; A356-R360 VanDerWaalsContact O-N 3.11Å; K357-R360 WeakPolarHBondContact O-CB 3.2Å; K357-R360 PolarHBondContact O-N 2.99Å; I358-R360 VanDerWaalsContact C-N 3.32Å; I358-R360 PolarHBondContact O-N 2.69Å; R360-F362 VanDerWaalsContact C-N 3.35Å; R360-F362 PolarHBondContact O-N 3.19Å; R360-E364 HydrophobicContact CG-CB 4.17Å; R360-E364 HydrophobicContact CG-CG 4.24Å; R360-E364 WeakPolarHBondContact CG-OE2 3.41Å; R360-E364 IonicContact CZ-OE2 2.62Å; R360-E364 IonicContact NE-OE2 3.54Å; R360-E364 PolarHBondContact NE-OE2 3.05Å; R360-E364 IonicContact NH2-OE2 3.95Å; R360-E364 WeakPolarHBondContact O-CA 3.48Å; R360-E364 WeakPolarHBondContact O-CB 3.44Å; R360-E364 PolarHBondContact O-N 3.4Å; R360-R365 PolarHBondContact O-N 3.44Å; R360-R365 VanDerWaalsContact O-N 3.14Å
361I94.8Very high88.3Confident14 Ų1465 Ų657%0.07232%0.317CS..Iπ-helixtrans-60.2-46.9177.1-67.1161.2000110.3K357 I358 N359 R365 L366 L426 V427 E430K357-I361 WeakPolarHBondContact O-CG1 3.29Å; K357-I361 PolarHBondContact O-N 2.93Å; I358-I361 WeakPolarHBondContact O-CB 3.25Å; I358-I361 PolarHBondContact O-N 2.94Å; N359-I361 VanDerWaalsContact C-N 3.34Å; N359-I361 PolarHBondContact O-N 2.88Å; I361-R365 WeakPolarHBondContact O-CB 3.46Å; I361-R365 PolarHBondContact O-N 3.16Å; I361-L366 PolarHBondContact O-N 2.97Å; I361-L426 HydrophobicContact CD1-CB 4Å; I361-L426 HydrophobicContact CG1-CB 4.4Å; I361-L426 HydrophobicContact CG2-CB 4.06Å; I361-L426 HydrophobicContact CG2-CD1 4.46Å; I361-V427 HydrophobicContact CB-CG2 4.48Å; I361-V427 HydrophobicContact CD1-CG2 4.48Å; I361-V427 HydrophobicContact CG2-CG2 3.93Å; I361-E430 HydrophobicContact CD1-CB 4.46Å
362F93.7Very high88.3Confident14 Ų1465 Ų656%0.06131%0.314CS..Iπ-helixtrans-64.7-44.8-179.6-66.4-28.4000113.7I358 N359 R360 V427 P677 I680 M681 I685I358-F362 HydrophobicContact CG2-CD2 3.99Å; I358-F362 HydrophobicContact CG2-CE1 4.44Å; I358-F362 HydrophobicContact CG2-CE2 3.43Å; I358-F362 VanDerWaalsContact CG2-CE2 3.43Å; I358-F362 HydrophobicContact CG2-CZ 3.69Å; I358-F362 PolarHBondContact O-N 3.01Å; N359-F362 PolarHBondContact O-N 2.8Å; R360-F362 VanDerWaalsContact C-N 3.35Å; R360-F362 PolarHBondContact O-N 3.19Å; F362-V427 HydrophobicContact CD1-CG2 4.27Å; F362-V427 HydrophobicContact CE1-CG2 3.56Å; F362-V427 HydrophobicContact CZ-CG2 4.11Å; F362-P677 HydrophobicContact CB-CB 4.1Å; F362-P677 HydrophobicContact CB-CG 3.99Å; F362-P677 HydrophobicContact CD1-CB 3.89Å; F362-P677 HydrophobicContact CD1-CG 4.07Å; F362-P677 HydrophobicContact CD2-CB 3.98Å; F362-P677 HydrophobicContact CE1-CB 4.25Å; F362-P677 HydrophobicContact CE2-CB 4.33Å; F362-P677 HydrophobicContact CG-CB 3.75Å; F362-P677 HydrophobicContact CG-CG 4.05Å; F362-P677 HydrophobicContact CZ-CB 4.46Å; F362-I680 HydrophobicContact CE1-CB 4.04Å; F362-I680 HydrophobicContact CE1-CD1 3.85Å; F362-I680 HydrophobicContact CE1-CG2 3.9Å; F362-I680 HydrophobicContact CZ-CB 4.05Å; F362-I680 HydrophobicContact CZ-CG2 3.75Å; F362-M681 HydrophobicContact CE2-CG 3.94Å; F362-M681 HydrophobicContact CE2-SD 3.95Å; F362-M681 HydrophobicContact CZ-CG 4.31Å; F362-M681 HydrophobicContact CZ-SD 4.47Å; F362-I685 HydrophobicContact CZ-CD1 4.25Å
363H89.1Confident87.8Confident99 Ų9962.8 Ų62.846%0.45830%0.302SS..Iπ-helixtrans-98.5-29-168.1-67.2-62.3000114.9N359 R367N359-H363 PolarHBondContact O-CD2 3.22Å; N359-H363 PolarHBondContact O-N 2.95Å; N359-H363 PolarHBondContact OD1-CD2 3.39Å; N359-H363 VanDerWaalsContact OD1-CD2 3.26Å; H363-R367 PolarHBondContact O-NE 2.95Å
364E89.6Confident86.9Confident109 Ų10964.1 Ų64.151%0.50932%0.316SS..Iπ-helixtrans-102.3-55.4178.2-63.4175.7-154.200111.3R360 R367 F368R360-E364 HydrophobicContact CG-CB 4.17Å; R360-E364 HydrophobicContact CG-CG 4.24Å; R360-E364 WeakPolarHBondContact CG-OE2 3.41Å; R360-E364 IonicContact CZ-OE2 2.62Å; R360-E364 IonicContact NE-OE2 3.54Å; R360-E364 PolarHBondContact NE-OE2 3.05Å; R360-E364 IonicContact NH2-OE2 3.95Å; R360-E364 WeakPolarHBondContact O-CA 3.48Å; R360-E364 WeakPolarHBondContact O-CB 3.44Å; R360-E364 PolarHBondContact O-N 3.4Å; E364-R367 PolarHBondContact O-N 3.13Å; E364-F368 WeakPolarHBondContact O-CB 3.46Å; E364-F368 PolarHBondContact O-N 3.45Å
365R89.1Confident85.7Confident101 Ų10165.5 Ų65.538%0.38133%0.325SS..Iπ-helixtrans-70.4-47.7-169.4-173.258-179.4-166.90112.7R360 I361 R367 F368 E369 L426R360-R365 PolarHBondContact O-N 3.44Å; R360-R365 VanDerWaalsContact O-N 3.14Å; I361-R365 WeakPolarHBondContact O-CB 3.46Å; I361-R365 PolarHBondContact O-N 3.16Å; R365-R367 VanDerWaalsContact C-N 3.27Å; R365-R367 PolarHBondContact O-N 3.48Å; R365-F368 WeakPolarHBondContact O-CB 3.45Å; R365-F368 PolarHBondContact O-N 3.23Å; R365-F368 VanDerWaalsContact O-N 3.16Å; R365-E369 HydrophobicContact CG-CG 4.36Å; R365-E369 IonicContact CZ-OE1 3.03Å; R365-E369 IonicContact NE-OE1 3.3Å; R365-E369 PolarHBondContact NE-OE1 3.13Å; R365-E369 IonicContact NH2-OE1 2.81Å; R365-E369 PolarHBondContact NH2-OE1 2.93Å; R365-E369 WeakPolarHBondContact O-CG 3.39Å; R365-E369 PolarHBondContact O-N 3.37Å; R365-L426 HydrophobicContact CG-CD1 3.86Å
366L90.1Very high85Confident2 Ų269.5 Ų69.51%0.0134%0.343CS..Hα-helixtrans-58.1-43177.4175.761.4000111.2I361 F368 E369 I370 V420 C423 V676 P677I361-L366 PolarHBondContact O-N 2.97Å; L366-F368 PolarHBondContact O-N 2.92Å; L366-E369 PolarHBondContact O-N 3.27Å; L366-I370 HydrophobicContact CD1-CD1 3.93Å; L366-I370 HydrophobicContact CD1-CG1 4.3Å; L366-I370 HydrophobicContact CG-CD1 4.01Å; L366-I370 WeakPolarHBondContact O-CG1 3.03Å; L366-I370 PolarHBondContact O-N 2.93Å; L366-V420 HydrophobicContact CD1-CG1 4.47Å; L366-C423 HydrophobicContact CD1-CB 3.98Å; L366-V676 HydrophobicContact CD2-CB 4.24Å; L366-V676 HydrophobicContact CD2-CG1 4.11Å; L366-P677 HydrophobicContact CD2-CG 4.29Å
367R87.3Confident84.5Confident119 Ų11972 Ų7245%0.44935%0.346SS..Hα-helixtrans-60.1-47.7176-174.8-168.2-53.1-158.8-1111.2H363 E364 R365 I370 V371H363-R367 PolarHBondContact O-NE 2.95Å; E364-R367 PolarHBondContact O-N 3.13Å; R365-R367 VanDerWaalsContact C-N 3.27Å; R365-R367 PolarHBondContact O-N 3.48Å; R367-I370 PolarHBondContact O-N 3.43Å; R367-V371 WeakPolarHBondContact O-CG2 3.3Å; R367-V371 PolarHBondContact O-N 2.75Å
368F87.2Confident84.1Confident110 Ų11075 Ų7548%0.48236%0.359SS..Hα-helixtrans-60.3-45.5178.7172.9-95.2000111.9E364 R365 L366 I370 V371 K372E364-F368 WeakPolarHBondContact O-CB 3.46Å; E364-F368 PolarHBondContact O-N 3.45Å; R365-F368 WeakPolarHBondContact O-CB 3.45Å; R365-F368 PolarHBondContact O-N 3.23Å; R365-F368 VanDerWaalsContact O-N 3.16Å; L366-F368 PolarHBondContact O-N 2.92Å; F368-I370 VanDerWaalsContact C-N 3.35Å; F368-I370 PolarHBondContact O-N 3.47Å; F368-V371 PolarHBondContact O-N 3.16Å; F368-K372 HydrophobicContact CE1-CD 4.21Å; F368-K372 HydrophobicContact CZ-CD 4.47Å; F368-K372 VanDerWaalsContact O-CB 3.29Å; F368-K372 WeakPolarHBondContact O-CB 3.38Å; F368-K372 PolarHBondContact O-N 3.05Å
369E84.3Confident83.7Confident15 Ų1578.4 Ų78.47%0.0738%0.375CS..Hα-helixtrans-63.3-40.2179.2-65.8-76-175.200111.6R365 L366 K372 M373 P419 K422R365-E369 HydrophobicContact CG-CG 4.36Å; R365-E369 IonicContact CZ-OE1 3.03Å; R365-E369 IonicContact NE-OE1 3.3Å; R365-E369 PolarHBondContact NE-OE1 3.13Å; R365-E369 IonicContact NH2-OE1 2.81Å; R365-E369 PolarHBondContact NH2-OE1 2.93Å; R365-E369 WeakPolarHBondContact O-CG 3.39Å; R365-E369 PolarHBondContact O-N 3.37Å; L366-E369 PolarHBondContact O-N 3.27Å; E369-K372 PolarHBondContact O-N 3.3Å; E369-M373 WeakPolarHBondContact O-CG 3.2Å; E369-M373 PolarHBondContact O-N 3.32Å; E369-P419 HydrophobicContact CB-CB 3.81Å; E369-K422 WeakPolarHBondContact OE1-CE 3.4Å; E369-K422 IonicContact OE1-NZ 2.76Å; E369-K422 PolarHBondContact OE1-NZ 3.28Å; E369-K422 IonicContact OE2-NZ 3.16Å; E369-K422 PolarHBondContact OE2-NZ 3.01Å
370I86Confident83.4Confident12 Ų1274.6 Ų74.66%0.06235%0.354CS..Hα-helixtrans-65.6-44176.1-64.8165.4000111.5L366 R367 F368 K372 M373 L416 P419 T669 R673L366-I370 HydrophobicContact CD1-CD1 3.93Å; L366-I370 HydrophobicContact CD1-CG1 4.3Å; L366-I370 HydrophobicContact CG-CD1 4.01Å; L366-I370 WeakPolarHBondContact O-CG1 3.03Å; L366-I370 PolarHBondContact O-N 2.93Å; R367-I370 PolarHBondContact O-N 3.43Å; F368-I370 VanDerWaalsContact C-N 3.35Å; F368-I370 PolarHBondContact O-N 3.47Å; I370-K372 VanDerWaalsContact C-N 3.34Å; I370-K372 PolarHBondContact O-N 3.11Å; I370-M373 PolarHBondContact O-N 3.26Å; I370-L416 HydrophobicContact CG1-CD2 4.31Å; I370-L416 HydrophobicContact CG2-CD2 3.92Å; I370-P419 HydrophobicContact CG1-CB 4.38Å; I370-P419 HydrophobicContact CG1-CG 4.31Å; I370-T669 HydrophobicContact CG2-CG2 3.69Å; I370-R673 HydrophobicContact CD1-CG 3.61Å
371V82.1Confident83.1Confident100 Ų10072.3 Ų72.361%0.60635%0.345SS*.Hα-helixtrans-66.9-36.9179.1172.50000111.5R367 F368 M373 A374R367-V371 WeakPolarHBondContact O-CG2 3.3Å; R367-V371 PolarHBondContact O-N 2.75Å; F368-V371 PolarHBondContact O-N 3.16Å; V371-M373 PolarHBondContact O-N 3.35Å; V371-A374 WeakPolarHBondContact O-CB 3.38Å; V371-A374 PolarHBondContact O-N 3.38Å
372K77Confident82.9Confident145 Ų14577.4 Ų77.463%0.6336%0.364SS*.Hα-helixtrans-60-29.6177.4-178.5-176.6173-165.80112.4F368 E369 I370 A374F368-K372 HydrophobicContact CE1-CD 4.21Å; F368-K372 HydrophobicContact CZ-CD 4.47Å; F368-K372 VanDerWaalsContact O-CB 3.29Å; F368-K372 WeakPolarHBondContact O-CB 3.38Å; F368-K372 PolarHBondContact O-N 3.05Å; E369-K372 PolarHBondContact O-N 3.3Å; I370-K372 VanDerWaalsContact C-N 3.34Å; I370-K372 PolarHBondContact O-N 3.11Å; K372-A374 VanDerWaalsContact C-N 3.32Å
373M70.8Confident82.7Confident51 Ų5178.4 Ų78.425%0.25137%0.369SS..THydrogen-bonded Turntrans-80.2-10176.3-63.7-168.4-38.100114.2E369 I370 V371 C375 L415 L416 P419E369-M373 WeakPolarHBondContact O-CG 3.2Å; E369-M373 PolarHBondContact O-N 3.32Å; I370-M373 PolarHBondContact O-N 3.26Å; V371-M373 PolarHBondContact O-N 3.35Å; M373-C375 PolarHBondContact O-N 3.24Å; M373-L415 HydrophobicContact CE-CB 4.24Å; M373-L415 WeakPolarHBondContact CE-O 3.36Å; M373-L415 HydrophobicContact SD-CB 4.46Å; M373-L416 HydrophobicContact CE-CD2 3.84Å; M373-P419 HydrophobicContact CE-CG 3.54Å; M373-P419 HydrophobicContact SD-CB 4.43Å; M373-P419 WeakPolarHBondContact SD-CD 3.15Å; M373-P419 HydrophobicContact SD-CG 3.69Å
374A64.8Low82.8Confident73 Ų7373.7 Ų73.760%0.60335%0.347SS*.PPolyproline II helixtrans-56.9117.1179.900000109.1V371 K372V371-A374 WeakPolarHBondContact O-CB 3.38Å; V371-A374 PolarHBondContact O-N 3.38Å; K372-A374 VanDerWaalsContact C-N 3.32Å
375C61.4Low82.8Confident31 Ų3169.6 Ų69.621%0.20933%0.33CS..PPolyproline II helixtrans-52.1149.3-177.2-81.80000111.8M373 E377 L380 Q412M373-C375 PolarHBondContact O-N 3.24Å; C375-E377 PolarHBondContact O-N 2.83Å; C375-L380 HydrophobicContact CB-CB 4.29Å; C375-Q412 PolarHBondContact SG-NE2 3.23Å
376D74.4Confident82.8Confident99 Ų9969.8 Ų69.853%0.52933%0.334SS..PPolyproline II helixtrans-52.5126.3162176.93.9000108.4K378 E379 L380D376-K378 PolarHBondContact O-N 3.37Å; D376-K378 VanDerWaalsContact O-N 3.09Å; D376-K378 PolarHBondContact OD1-N 3.46Å; D376-E379 HydrophobicContact CB-CB 4.03Å; D376-E379 WeakPolarHBondContact O-CA 3.41Å; D376-E379 WeakPolarHBondContact O-CB 3.35Å; D376-E379 PolarHBondContact O-N 2.88Å; D376-L380 PolarHBondContact O-N 3.21Å
377E80.3Confident82.8Confident104 Ų10470.4 Ų70.449%0.48634%0.34SS..Hα-helixtrans-56-29.9-177.9-145-166.9140.900111.6C375 R381C375-E377 PolarHBondContact O-N 2.83Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-N 3.3Å; E377-R381 IonicContact OE1-CZ 3.2Å; E377-R381 IonicContact OE1-NH1 2.67Å; E377-R381 PolarHBondContact OE1-NH1 3.04Å; E377-R381 IonicContact OE1-NH2 3.77Å; E377-R381 PolarHBondContact OE1-NH2 3.33Å
378K82.3Confident82.8Confident148 Ų14864.8 Ų64.864%0.64332%0.318SS*.Hα-helixtrans-73.2-37.3175.9-168.6176.7-177.6179.20112.2D376 R382D376-K378 PolarHBondContact O-N 3.37Å; D376-K378 VanDerWaalsContact O-N 3.09Å; D376-K378 PolarHBondContact OD1-N 3.46Å; K378-R382 PolarHBondContact O-N 2.97Å
379E85.7Confident82.7Confident80 Ų8064.7 Ų64.737%0.37432%0.315SS..Hα-helixtrans-71-44.2177.6-172.2173.6-153.900111.1D376 R381 R382 E383D376-E379 HydrophobicContact CB-CB 4.03Å; D376-E379 WeakPolarHBondContact O-CA 3.41Å; D376-E379 WeakPolarHBondContact O-CB 3.35Å; D376-E379 PolarHBondContact O-N 2.88Å; E379-R381 VanDerWaalsContact C-N 3.34Å; E379-R381 PolarHBondContact O-N 2.89Å; E379-R382 WeakPolarHBondContact O-CA 3.38Å; E379-R382 WeakPolarHBondContact O-CB 3.36Å; E379-R382 PolarHBondContact O-N 3.49Å; E379-R382 VanDerWaalsContact O-N 3.08Å; E379-E383 WeakPolarHBondContact O-CG 3.46Å; E379-E383 PolarHBondContact O-N 3.46Å
380L87.1Confident82.8Confident12 Ų1270 Ų706%0.06334%0.344CS..Hα-helixtrans-58.9-43.9176.3-179.459.5000111.9C375 D376 R382 E383 I384 I408 R658C375-L380 HydrophobicContact CB-CB 4.29Å; D376-L380 PolarHBondContact O-N 3.21Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 3.04Å; L380-E383 PolarHBondContact O-N 2.9Å; L380-I384 HydrophobicContact CD1-CD1 4.15Å; L380-I384 HydrophobicContact CD1-CG1 4.34Å; L380-I384 HydrophobicContact CG-CD1 3.93Å; L380-I384 WeakPolarHBondContact O-CD1 3.47Å; L380-I384 VanDerWaalsContact O-CG1 3.22Å; L380-I384 WeakPolarHBondContact O-CG1 3.5Å; L380-I384 PolarHBondContact O-N 3.49Å; L380-I408 HydrophobicContact CD1-CG2 3.67Å; L380-R658 HydrophobicContact CD2-CG 4.33Å
381R89.2Confident82.7Confident80 Ų8072.2 Ų72.230%0.30236%0.355SS..Hα-helixtrans-62-39.5175.2-76.6-170.2178.487.61.9112.4E377 E379 I384 S385 V654 E655E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-N 3.3Å; E377-R381 IonicContact OE1-CZ 3.2Å; E377-R381 IonicContact OE1-NH1 2.67Å; E377-R381 PolarHBondContact OE1-NH1 3.04Å; E377-R381 IonicContact OE1-NH2 3.77Å; E377-R381 PolarHBondContact OE1-NH2 3.33Å; E379-R381 VanDerWaalsContact C-N 3.34Å; E379-R381 PolarHBondContact O-N 2.89Å; R381-I384 PolarHBondContact O-N 3.03Å; R381-S385 WeakPolarHBondContact O-CB 3.31Å; R381-S385 PolarHBondContact O-N 2.99Å; R381-V654 HydrophobicContact CB-CG1 4.03Å; R381-V654 HydrophobicContact CG-CG1 3.98Å; R381-E655 IonicContact CZ-OE2 3.47Å; R381-E655 IonicContact NE-OE2 3.82Å; R381-E655 IonicContact NH2-OE2 2.68Å; R381-E655 PolarHBondContact NH2-OE2 2.87Å; R381-E655 VanDerWaalsContact NH2-OE2 3.14Å
382R90.1Very high82.7Confident121 Ų12169.1 Ų69.146%0.45733%0.334SS..Hα-helixtrans-63.5-44.6176-166.5-167.6-56.6132.24.2111.2K378 E379 L380 S385 F386K378-R382 PolarHBondContact O-N 2.97Å; E379-R382 WeakPolarHBondContact O-CA 3.38Å; E379-R382 WeakPolarHBondContact O-CB 3.36Å; E379-R382 PolarHBondContact O-N 3.49Å; E379-R382 VanDerWaalsContact O-N 3.08Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 3.04Å; R382-S385 WeakPolarHBondContact O-CB 3.19Å; R382-S385 PolarHBondContact O-N 2.97Å; R382-F386 HydrophobicContact CG-CD2 3.93Å; R382-F386 HydrophobicContact CG-CE2 3.56Å; R382-F386 HydrophobicContact CG-CZ 4.4Å; R382-F386 VanDerWaalsContact O-CD2 3.32Å; R382-F386 WeakPolarHBondContact O-CD2 3.42Å; R382-F386 PolarHBondContact O-N 3.35Å
383E90.1Very high82.9Confident35 Ų3564.9 Ų64.916%0.16433%0.331CS..Hα-helixtrans-63.2-43.4177.3-72.6178-177.400112.4E379 L380 S385 F386 A387 I408 R411E379-E383 WeakPolarHBondContact O-CG 3.46Å; E379-E383 PolarHBondContact O-N 3.46Å; L380-E383 PolarHBondContact O-N 2.9Å; E383-S385 VanDerWaalsContact C-N 3.33Å; E383-S385 PolarHBondContact O-N 3.3Å; E383-F386 PolarHBondContact O-N 3.48Å; E383-A387 VanDerWaalsContact O-CB 3.31Å; E383-A387 WeakPolarHBondContact O-CB 3.11Å; E383-A387 PolarHBondContact O-N 2.96Å; E383-I408 HydrophobicContact CB-CD1 3.81Å; E383-R411 VanDerWaalsContact CD-CZ 3.44Å; E383-R411 IonicContact OE1-CZ 3.12Å; E383-R411 IonicContact OE1-NE 2.82Å; E383-R411 IonicContact OE1-NH1 2.64Å; E383-R411 IonicContact OE1-NH2 2.8Å; E383-R411 PolarHBondContact OE1-NH2 2.9Å; E383-R411 IonicContact OE2-CZ 2.63Å; E383-R411 IonicContact OE2-NE 3.76Å; E383-R411 PolarHBondContact OE2-NE 3.43Å; E383-R411 IonicContact OE2-NH2 3.1Å; E383-R411 PolarHBondContact OE2-NH2 3.41Å
384I90.9Very high83.2Confident0 Ų070.8 Ų70.80%036%0.362CS..Hα-helixtrans-61-45.3175.1-66.2163.1000109.9L380 R381 F386 A387 I388 I408 V654 I657 R658L380-I384 HydrophobicContact CD1-CD1 4.15Å; L380-I384 HydrophobicContact CD1-CG1 4.34Å; L380-I384 HydrophobicContact CG-CD1 3.93Å; L380-I384 WeakPolarHBondContact O-CD1 3.47Å; L380-I384 VanDerWaalsContact O-CG1 3.22Å; L380-I384 WeakPolarHBondContact O-CG1 3.5Å; L380-I384 PolarHBondContact O-N 3.49Å; R381-I384 PolarHBondContact O-N 3.03Å; I384-F386 PolarHBondContact O-N 2.93Å; I384-A387 PolarHBondContact O-N 2.7Å; I384-I388 HydrophobicContact CG2-CD1 3.78Å; I384-I388 HydrophobicContact CG2-CG1 4.31Å; I384-I388 WeakPolarHBondContact O-CB 3.44Å; I384-I388 WeakPolarHBondContact O-CG1 3.32Å; I384-I388 PolarHBondContact O-N 3.04Å; I384-I408 HydrophobicContact CG1-CD1 4.21Å; I384-I408 HydrophobicContact CG1-CG1 3.96Å; I384-I408 HydrophobicContact CG1-CG2 4.23Å; I384-V654 HydrophobicContact CB-CG1 4.25Å; I384-V654 HydrophobicContact CG2-CB 4.17Å; I384-V654 HydrophobicContact CG2-CG1 4.1Å; I384-V654 HydrophobicContact CG2-CG2 4.06Å; I384-I657 HydrophobicContact CD1-CG2 4.17Å; I384-I657 HydrophobicContact CG1-CG2 4.07Å; I384-I657 HydrophobicContact CG2-CB 3.83Å; I384-I657 HydrophobicContact CG2-CD1 4.06Å; I384-I657 HydrophobicContact CG2-CG2 3.75Å; I384-R658 HydrophobicContact CD1-CB 3.89Å; I384-R658 HydrophobicContact CD1-CG 4.38Å
385S88.6Confident83.6Confident23 Ų2377 Ų7716%0.16137%0.369CS..Hα-helixtrans-58.4-47.1176.8-177.30000112R381 R382 E383 I388 R389R381-S385 WeakPolarHBondContact O-CB 3.31Å; R381-S385 PolarHBondContact O-N 2.99Å; R382-S385 WeakPolarHBondContact O-CB 3.19Å; R382-S385 PolarHBondContact O-N 2.97Å; E383-S385 VanDerWaalsContact C-N 3.33Å; E383-S385 PolarHBondContact O-N 3.3Å; S385-I388 PolarHBondContact O-N 3.48Å; S385-R389 WeakPolarHBondContact O-CG 3.41Å; S385-R389 PolarHBondContact O-N 3.47Å
386F89.8Confident83.7Confident106 Ų10682.4 Ų82.447%0.46540%0.402SS..Hα-helixtrans-64.2-41.7175.3-75.4-49.8000112.7R382 E383 I384 I388 R389 N390R382-F386 HydrophobicContact CG-CD2 3.93Å; R382-F386 HydrophobicContact CG-CE2 3.56Å; R382-F386 HydrophobicContact CG-CZ 4.4Å; R382-F386 VanDerWaalsContact O-CD2 3.32Å; R382-F386 WeakPolarHBondContact O-CD2 3.42Å; R382-F386 PolarHBondContact O-N 3.35Å; E383-F386 PolarHBondContact O-N 3.48Å; I384-F386 PolarHBondContact O-N 2.93Å; F386-I388 VanDerWaalsContact C-N 3.35Å; F386-I388 PolarHBondContact O-N 3.12Å; F386-R389 PolarHBondContact O-N 3.33Å; F386-N390 VanDerWaalsContact O-CB 3.24Å; F386-N390 WeakPolarHBondContact O-CB 3.48Å; F386-N390 PolarHBondContact O-N 2.89Å; F386-N390 PolarHBondContact O-ND2 3.42Å
387A89.9Confident83.1Confident15 Ų1578.8 Ų78.812%0.12439%0.387CS..Hα-helixtrans-60-47.2177.400000110.7E383 I384 N390 I391 A404 I408E383-A387 VanDerWaalsContact O-CB 3.31Å; E383-A387 WeakPolarHBondContact O-CB 3.11Å; E383-A387 PolarHBondContact O-N 2.96Å; I384-A387 PolarHBondContact O-N 2.7Å; A387-N390 PolarHBondContact O-N 3.44Å; A387-I391 WeakPolarHBondContact O-CB 3.01Å; A387-I391 VanDerWaalsContact O-CD1 3.27Å; A387-I391 WeakPolarHBondContact O-CD1 3.39Å; A387-I391 WeakPolarHBondContact O-CG1 3.47Å; A387-I391 PolarHBondContact O-N 3.45Å; A387-A404 HydrophobicContact CB-CB 4.37Å; A387-I408 HydrophobicContact CB-CD1 4.13Å; A387-I408 HydrophobicContact CB-CG1 4.26Å
388I86.8Confident82.3Confident1 Ų180.9 Ų80.91%0.00540%0.401CS..Hα-helixtrans-57.1-56.6175.1-65.9165.5000109.7I384 S385 F386 N390 I391 H392 T400 A404 L650 Q653 V654 I657I384-I388 HydrophobicContact CG2-CD1 3.78Å; I384-I388 HydrophobicContact CG2-CG1 4.31Å; I384-I388 WeakPolarHBondContact O-CB 3.44Å; I384-I388 WeakPolarHBondContact O-CG1 3.32Å; I384-I388 PolarHBondContact O-N 3.04Å; S385-I388 PolarHBondContact O-N 3.48Å; F386-I388 VanDerWaalsContact C-N 3.35Å; F386-I388 PolarHBondContact O-N 3.12Å; I388-N390 VanDerWaalsContact C-N 3.3Å; I388-N390 PolarHBondContact O-N 3.06Å; I388-I391 PolarHBondContact O-N 2.97Å; I388-H392 WeakPolarHBondContact CG2-CE1 3.33Å; I388-H392 VanDerWaalsContact CG2-ND1 3.31Å; I388-H392 WeakPolarHBondContact CG2-ND1 3.23Å; I388-H392 PolarHBondContact O-N 2.98Å; I388-H392 VanDerWaalsContact O-N 3.1Å; I388-H392 PolarHBondContact O-ND1 3.28Å; I388-T400 HydrophobicContact CG2-CG2 4.47Å; I388-A404 HydrophobicContact CG1-CB 3.94Å; I388-L650 HydrophobicContact CB-CD1 4.11Å; I388-L650 HydrophobicContact CD1-CD1 3.97Å; I388-L650 HydrophobicContact CG2-CD1 3.65Å; I388-Q653 HydrophobicContact CD1-CB 3.98Å; I388-V654 HydrophobicContact CD1-CG2 3.76Å; I388-I657 HydrophobicContact CD1-CD1 3.74Å; I388-I657 HydrophobicContact CG1-CD1 3.78Å
389R85.5Confident81.3Confident108 Ų10882.6 Ų82.641%0.40841%0.409SS..Hα-helixtrans-57.1-40.8-178.7-72.2177.6177.3-179.6-1.7112.4S385 F386 H392 G393 E643S385-R389 WeakPolarHBondContact O-CG 3.41Å; S385-R389 PolarHBondContact O-N 3.47Å; F386-R389 PolarHBondContact O-N 3.33Å; R389-H392 WeakPolarHBondContact O-CB 3.36Å; R389-H392 PolarHBondContact O-N 3.24Å; R389-G393 PolarHBondContact O-N 3.36Å; R389-E643 IonicContact CZ-OE1 3.63Å; R389-E643 IonicContact NH1-OE1 2.85Å; R389-E643 PolarHBondContact NH1-OE1 3.5Å; R389-E643 IonicContact NH2-OE1 2.76Å; R389-E643 PolarHBondContact NH2-OE1 3.31Å
390N86Confident80.2Confident126 Ų12679 Ų7967%0.67439%0.393SS*.Hα-helixtrans-70.6-37.4-179.3-72.6-18.1000113.2F386 A387 I388 H392 G393F386-N390 VanDerWaalsContact O-CB 3.24Å; F386-N390 WeakPolarHBondContact O-CB 3.48Å; F386-N390 PolarHBondContact O-N 2.89Å; F386-N390 PolarHBondContact O-ND2 3.42Å; A387-N390 PolarHBondContact O-N 3.44Å; I388-N390 VanDerWaalsContact C-N 3.3Å; I388-N390 PolarHBondContact O-N 3.06Å; N390-H392 VanDerWaalsContact C-N 3.34Å; N390-G393 PolarHBondContact O-N 3.36Å
391I85.1Confident79.2Confident58 Ų5880.8 Ų80.830%0.29741%0.405SS..Hα-helixtrans-68.4-38.1177-68.9159.5000110.7A387 I388 G393 T400 M403 A404A387-I391 WeakPolarHBondContact O-CB 3.01Å; A387-I391 VanDerWaalsContact O-CD1 3.27Å; A387-I391 WeakPolarHBondContact O-CD1 3.39Å; A387-I391 WeakPolarHBondContact O-CG1 3.47Å; A387-I391 PolarHBondContact O-N 3.45Å; I388-I391 PolarHBondContact O-N 2.97Å; I391-G393 VanDerWaalsContact C-N 3.34Å; I391-T400 HydrophobicContact CB-CG2 3.89Å; I391-T400 HydrophobicContact CG2-CG2 3.55Å; I391-M403 VanDerWaalsContact CD1-C 3.48Å; I391-M403 HydrophobicContact CD1-CB 3.66Å; I391-M403 HydrophobicContact CG1-CB 4.28Å; I391-M403 HydrophobicContact CG2-CB 4.13Å; I391-M403 HydrophobicContact CG2-CE 4.42Å; I391-M403 HydrophobicContact CG2-SD 4.07Å; I391-A404 VanDerWaalsContact CD1-CA 3.42Å; I391-A404 HydrophobicContact CD1-CB 3.69Å
392H81.8Confident78.7Confident36 Ų3681.6 Ų81.617%0.16742%0.415CS..Hα-helixtrans-62.6-40.6172.8-77106.2000112.7I388 R389 N390 I394 R395 G397 T400I388-H392 WeakPolarHBondContact CG2-CE1 3.33Å; I388-H392 VanDerWaalsContact CG2-ND1 3.31Å; I388-H392 WeakPolarHBondContact CG2-ND1 3.23Å; I388-H392 PolarHBondContact O-N 2.98Å; I388-H392 VanDerWaalsContact O-N 3.1Å; I388-H392 PolarHBondContact O-ND1 3.28Å; R389-H392 WeakPolarHBondContact O-CB 3.36Å; R389-H392 PolarHBondContact O-N 3.24Å; N390-H392 VanDerWaalsContact C-N 3.34Å; H392-I394 PolarHBondContact O-N 2.95Å; H392-R395 PolarHBondContact O-N 3.3Å; H392-G397 WeakPolarHBondContact CD2-CA 3.44Å; H392-G397 PolarHBondContact CD2-N 3.01Å; H392-G397 VanDerWaalsContact NE2-CA 3.34Å; H392-G397 WeakPolarHBondContact NE2-CA 3.5Å; H392-T400 PolarHBondContact CD2-OG1 3.47Å; H392-T400 WeakPolarHBondContact CE1-CB 3.41Å; H392-T400 VanDerWaalsContact CE1-CG2 3.43Å; H392-T400 WeakPolarHBondContact CE1-CG2 3.47Å; H392-T400 PolarHBondContact CE1-OG1 2.91Å; H392-T400 WeakPolarHBondContact ND1-CG2 3.21Å; H392-T400 PolarHBondContact NE2-OG1 3.45Å
393G81.1Confident78.4Confident55 Ų5581 Ų8157%0.56742%0.419SS*.THydrogen-bonded Turntrans55-128.7-177.600000111.4R389 N390 I391 R395R389-G393 PolarHBondContact O-N 3.36Å; N390-G393 PolarHBondContact O-N 3.36Å; I391-G393 VanDerWaalsContact C-N 3.34Å; G393-R395 VanDerWaalsContact C-N 3.26Å; G393-R395 PolarHBondContact O-N 3.43Å
394I76.8Confident78.3Confident176 Ų17679.4 Ų79.490%0.90341%0.411SS*.THydrogen-bonded Turntrans-78.6-1.8179.663.2170.4000114.3H392H392-I394 PolarHBondContact O-N 2.95Å
395R72.6Confident78.3Confident202 Ų20279.6 Ų79.676%0.76241%0.412SS*.SBendtrans-104.7141.5-174.6-60.6-178.1-178.3-176.81111H392 G393 G397H392-R395 PolarHBondContact O-N 3.3Å; G393-R395 VanDerWaalsContact C-N 3.26Å; G393-R395 PolarHBondContact O-N 3.43Å; R395-G397 PolarHBondContact O-N 3.06Å
396V64.1Low78.4Confident146 Ų14681.9 Ų81.989%0.88542%0.42SS*.  trans-75.1108.9166.3-171.50000107.3
397G62Low78.5Confident22 Ų2279.3 Ų79.323%0.22742%0.418CS..  trans-90.7131.8-170.600000112H392 R395H392-G397 WeakPolarHBondContact CD2-CA 3.44Å; H392-G397 PolarHBondContact CD2-N 3.01Å; H392-G397 VanDerWaalsContact NE2-CA 3.34Å; H392-G397 WeakPolarHBondContact NE2-CA 3.5Å; R395-G397 PolarHBondContact O-N 3.06Å
398L62.6Low78.6Confident148 Ų14878.9 Ų78.978%0.77541%0.414SS*.SBendtrans-86.6-23.3176.1-72.8148.2000111.5
399F62.6Low78.9Confident185 Ų18578.9 Ų78.981%0.81141%0.414SS*.  trans-146.6109.2-176.3-57-79.7000110.6
400T61.6Low79.3Confident5 Ų577.1 Ų77.13%0.03141%0.409CS..  trans-142.425.8-178.6-32.70000116.1I388 I391 H392I388-T400 HydrophobicContact CG2-CG2 4.47Å; I391-T400 HydrophobicContact CB-CG2 3.89Å; I391-T400 HydrophobicContact CG2-CG2 3.55Å; H392-T400 PolarHBondContact CD2-OG1 3.47Å; H392-T400 WeakPolarHBondContact CE1-CB 3.41Å; H392-T400 VanDerWaalsContact CE1-CG2 3.43Å; H392-T400 WeakPolarHBondContact CE1-CG2 3.47Å; H392-T400 PolarHBondContact CE1-OG1 2.91Å; H392-T400 WeakPolarHBondContact ND1-CG2 3.21Å; H392-T400 PolarHBondContact NE2-OG1 3.45Å
401P65.4Low79.6Confident49 Ų4975.8 Ų75.832%0.31840%0.395SS..SBendtrans-79.3-31.4178.1-15.132.6000116.1F405 F492P401-F405 WeakPolarHBondContact O-CB 3.29Å; P401-F405 PolarHBondContact O-N 3.31Å; P401-F492 HydrophobicContact CB-CD1 4.13Å; P401-F492 HydrophobicContact CB-CE1 3.71Å
402D79Confident79.9Confident96 Ų9674 Ų7451%0.51339%0.385SS..Hα-helixtrans-81.6-52-163.758.7-18.2000113.4A404 F405 E406D402-A404 VanDerWaalsContact C-N 3.3Å; D402-A404 PolarHBondContact O-N 2.92Å; D402-F405 PolarHBondContact O-N 3.44Å; D402-E406 WeakPolarHBondContact O-CB 3.13Å; D402-E406 PolarHBondContact O-N 2.92Å
403M84.3Confident80.5Confident110 Ų11072.2 Ų72.254%0.54238%0.377SS..Hα-helixtrans-65.4-34.5178.3-71.2-173.164.300112.3I391 A407I391-M403 VanDerWaalsContact CD1-C 3.48Å; I391-M403 HydrophobicContact CD1-CB 3.66Å; I391-M403 HydrophobicContact CG1-CB 4.28Å; I391-M403 HydrophobicContact CG2-CB 4.13Å; I391-M403 HydrophobicContact CG2-CE 4.42Å; I391-M403 HydrophobicContact CG2-SD 4.07Å; M403-A407 WeakPolarHBondContact O-CB 3.36Å; M403-A407 PolarHBondContact O-N 3.08Å
404A88.7Confident81.1Confident0 Ų071.5 Ų71.50%037%0.365CS..Hα-helixtrans-71.1-43.9177.900000110.7A387 I388 I391 D402 I408 I657A387-A404 HydrophobicContact CB-CB 4.37Å; I388-A404 HydrophobicContact CG1-CB 3.94Å; I391-A404 VanDerWaalsContact CD1-CA 3.42Å; I391-A404 HydrophobicContact CD1-CB 3.69Å; D402-A404 VanDerWaalsContact C-N 3.3Å; D402-A404 PolarHBondContact O-N 2.92Å; A404-I408 WeakPolarHBondContact O-CB 3.34Å; A404-I408 WeakPolarHBondContact O-CG1 3.47Å; A404-I408 PolarHBondContact O-N 3.42Å; A404-I408 VanDerWaalsContact O-N 3.16Å; A404-I657 HydrophobicContact CB-CD1 3.66Å
405F90.5Very high81.9Confident4 Ų466.4 Ų66.42%0.01834%0.34CS..Hα-helixtrans-57.3-48.5170.9167.6-104.5000111.3P401 D402 A407 I408 V409 M482 T484 F489 F492 I657 L660 V661 Y664P401-F405 WeakPolarHBondContact O-CB 3.29Å; P401-F405 PolarHBondContact O-N 3.31Å; D402-F405 PolarHBondContact O-N 3.44Å; F405-A407 PolarHBondContact O-N 3.27Å; F405-I408 PolarHBondContact O-N 2.93Å; F405-V409 HydrophobicContact CD2-CG2 3.77Å; F405-V409 HydrophobicContact CE1-CG2 4.36Å; F405-V409 HydrophobicContact CE2-CG2 3.38Å; F405-V409 HydrophobicContact CG-CG2 4.41Å; F405-V409 HydrophobicContact CZ-CG2 3.72Å; F405-V409 WeakPolarHBondContact O-CB 3.43Å; F405-V409 WeakPolarHBondContact O-CG2 3.33Å; F405-V409 PolarHBondContact O-N 3.42Å; F405-M482 HydrophobicContact CE1-CE 4.5Å; F405-M482 HydrophobicContact CE1-SD 4.2Å; F405-T484 HydrophobicContact CE1-CG2 4.25Å; F405-F489 HydrophobicContact CE2-CE2 4.37Å; F405-F489 HydrophobicContact CE2-CZ 4.36Å; F405-F489 HydrophobicContact CZ-CE2 4.08Å; F405-F489 AromaticContact CZ-CZ 3.92Å; F405-F489 HydrophobicContact CZ-CZ 3.92Å; F405-F492 HydrophobicContact CD1-CZ 4.4Å; F405-I657 HydrophobicContact CB-CG2 4.32Å; F405-L660 HydrophobicContact CD2-CB 3.61Å; F405-L660 HydrophobicContact CE2-CB 3.65Å; F405-V661 HydrophobicContact CD2-CG2 3.94Å; F405-V661 HydrophobicContact CE2-CG2 4.39Å; F405-Y664 HydrophobicContact CZ-CD2 4.26Å; F405-Y664 HydrophobicContact CZ-CG 4Å
406E90.8Very high82.9Confident72 Ų7256.9 Ų56.934%0.33630%0.304SS..Hα-helixtrans-56.9-51.4178.7179.8158-179.500112.9D402 I408 V409 K410 M482D402-E406 WeakPolarHBondContact O-CB 3.13Å; D402-E406 PolarHBondContact O-N 2.92Å; E406-I408 VanDerWaalsContact C-N 3.32Å; E406-I408 PolarHBondContact O-N 3.48Å; E406-V409 PolarHBondContact O-N 2.83Å; E406-K410 HydrophobicContact CG-CD 3.9Å; E406-K410 HydrophobicContact CG-CG 4.43Å; E406-K410 WeakPolarHBondContact O-CB 3.33Å; E406-K410 WeakPolarHBondContact O-CG 3.5Å; E406-K410 PolarHBondContact O-N 3.29Å; E406-K410 VanDerWaalsContact OE1-CE 3.22Å; E406-K410 WeakPolarHBondContact OE1-CE 3.27Å; E406-K410 IonicContact OE1-NZ 3.42Å; E406-K410 PolarHBondContact OE1-NZ 3.39Å; E406-M482 HydrophobicContact CB-CE 3.42Å; E406-M482 VanDerWaalsContact CB-CE 3.42Å; E406-M482 HydrophobicContact CB-SD 4.31Å; E406-M482 HydrophobicContact CG-CE 3.25Å; E406-M482 HydrophobicContact CG-SD 4.15Å
407A91.3Very high84.3Confident51 Ų5153.2 Ų53.242%0.42128%0.276SS..Hα-helixtrans-60.3-43.5-177.800000111.6M403 F405 R411M403-A407 WeakPolarHBondContact O-CB 3.36Å; M403-A407 PolarHBondContact O-N 3.08Å; F405-A407 PolarHBondContact O-N 3.27Å; A407-R411 WeakPolarHBondContact O-CB 3.27Å; A407-R411 PolarHBondContact O-N 3.33Å; A407-R411 VanDerWaalsContact O-N 3.07Å
408I92.8Very high85.8Confident7 Ų759 Ų594%0.03630%0.297CS..Hα-helixtrans-71.3-44.6-178.5-62.2-68000111.1L380 E383 I384 A387 A404 F405 E406 R411 Q412 V661L380-I408 HydrophobicContact CD1-CG2 3.67Å; E383-I408 HydrophobicContact CB-CD1 3.81Å; I384-I408 HydrophobicContact CG1-CD1 4.21Å; I384-I408 HydrophobicContact CG1-CG1 3.96Å; I384-I408 HydrophobicContact CG1-CG2 4.23Å; A387-I408 HydrophobicContact CB-CD1 4.13Å; A387-I408 HydrophobicContact CB-CG1 4.26Å; A404-I408 WeakPolarHBondContact O-CB 3.34Å; A404-I408 WeakPolarHBondContact O-CG1 3.47Å; A404-I408 PolarHBondContact O-N 3.42Å; A404-I408 VanDerWaalsContact O-N 3.16Å; F405-I408 PolarHBondContact O-N 2.93Å; E406-I408 VanDerWaalsContact C-N 3.32Å; E406-I408 PolarHBondContact O-N 3.48Å; I408-R411 PolarHBondContact O-N 3.19Å; I408-Q412 WeakPolarHBondContact O-CG 3.31Å; I408-Q412 PolarHBondContact O-N 3.16Å; I408-V661 HydrophobicContact CB-CG2 4.13Å; I408-V661 HydrophobicContact CG2-CG1 4.01Å; I408-V661 HydrophobicContact CG2-CG2 3.7Å
409V93.1Very high87.3Confident0 Ų052.2 Ų52.20%026%0.262CS..Hα-helixtrans-61.3-48.7176.5167.60000110.9F405 E406 R411 Q412 I413 M482 V661 Y664F405-V409 HydrophobicContact CD2-CG2 3.77Å; F405-V409 HydrophobicContact CE1-CG2 4.36Å; F405-V409 HydrophobicContact CE2-CG2 3.38Å; F405-V409 HydrophobicContact CG-CG2 4.41Å; F405-V409 HydrophobicContact CZ-CG2 3.72Å; F405-V409 WeakPolarHBondContact O-CB 3.43Å; F405-V409 WeakPolarHBondContact O-CG2 3.33Å; F405-V409 PolarHBondContact O-N 3.42Å; E406-V409 PolarHBondContact O-N 2.83Å; V409-R411 VanDerWaalsContact C-N 3.28Å; V409-R411 PolarHBondContact O-N 2.89Å; V409-Q412 PolarHBondContact O-N 3.08Å; V409-Q412 VanDerWaalsContact O-N 3.09Å; V409-I413 HydrophobicContact CG1-CD1 3.54Å; V409-I413 HydrophobicContact CG1-CG1 4.09Å; V409-I413 VanDerWaalsContact O-CG1 3.32Å; V409-I413 WeakPolarHBondContact O-CG1 3.32Å; V409-I413 PolarHBondContact O-N 3.49Å; V409-M482 HydrophobicContact CB-SD 3.99Å; V409-M482 HydrophobicContact CG1-CG 4.4Å; V409-M482 HydrophobicContact CG1-SD 3.8Å; V409-V661 HydrophobicContact CG2-CB 4.4Å; V409-V661 HydrophobicContact CG2-CG1 4.41Å; V409-V661 HydrophobicContact CG2-CG2 4Å; V409-Y664 HydrophobicContact CG1-CD1 3.42Å; V409-Y664 VanDerWaalsContact CG1-CD1 3.42Å; V409-Y664 HydrophobicContact CG1-CE1 3.75Å; V409-Y664 HydrophobicContact CG1-CG 4.43Å; V409-Y664 HydrophobicContact CG2-CD1 4.31Å
410K94.3Very high88.9Confident71 Ų7143.4 Ų43.431%0.30922%0.223SC..Hα-helixtrans-58.2-41.3177.9-77.1-179.5170.3179.20111.9E406 Q412 I413 A414 L479E406-K410 HydrophobicContact CG-CD 3.9Å; E406-K410 HydrophobicContact CG-CG 4.43Å; E406-K410 WeakPolarHBondContact O-CB 3.33Å; E406-K410 WeakPolarHBondContact O-CG 3.5Å; E406-K410 PolarHBondContact O-N 3.29Å; E406-K410 VanDerWaalsContact OE1-CE 3.22Å; E406-K410 WeakPolarHBondContact OE1-CE 3.27Å; E406-K410 IonicContact OE1-NZ 3.42Å; E406-K410 PolarHBondContact OE1-NZ 3.39Å; K410-Q412 PolarHBondContact O-N 2.9Å; K410-I413 PolarHBondContact O-N 2.75Å; K410-A414 WeakPolarHBondContact O-CB 3.5Å; K410-A414 PolarHBondContact O-N 2.91Å; K410-L479 HydrophobicContact CB-CD2 4.06Å; K410-L479 WeakPolarHBondContact CE-O 3.43Å; K410-L479 HydrophobicContact CG-CD2 4.24Å; K410-L479 WeakPolarHBondContact O-CD2 3.48Å
411R91.9Very high90.5Very high99 Ų9944.9 Ų44.937%0.37423%0.231SC..Hα-helixtrans-59.4-47.2174.8-166.5-177103.781.96.7111.4E383 A407 I408 V409 A414 L415E383-R411 VanDerWaalsContact CD-CZ 3.44Å; E383-R411 IonicContact OE1-CZ 3.12Å; E383-R411 IonicContact OE1-NE 2.82Å; E383-R411 IonicContact OE1-NH1 2.64Å; E383-R411 IonicContact OE1-NH2 2.8Å; E383-R411 PolarHBondContact OE1-NH2 2.9Å; E383-R411 IonicContact OE2-CZ 2.63Å; E383-R411 IonicContact OE2-NE 3.76Å; E383-R411 PolarHBondContact OE2-NE 3.43Å; E383-R411 IonicContact OE2-NH2 3.1Å; E383-R411 PolarHBondContact OE2-NH2 3.41Å; A407-R411 WeakPolarHBondContact O-CB 3.27Å; A407-R411 PolarHBondContact O-N 3.33Å; A407-R411 VanDerWaalsContact O-N 3.07Å; I408-R411 PolarHBondContact O-N 3.19Å; V409-R411 VanDerWaalsContact C-N 3.28Å; V409-R411 PolarHBondContact O-N 2.89Å; R411-A414 PolarHBondContact O-N 2.86Å; R411-L415 PolarHBondContact O-N 2.68Å
412Q91.3Very high92Very high19 Ų1946 Ų469%0.08923%0.23CC..Hα-helixtrans-67.9-39.2-179.1-68.4-69.216.200113.2C375 I408 V409 K410 A414 L415 M665C375-Q412 PolarHBondContact SG-NE2 3.23Å; I408-Q412 WeakPolarHBondContact O-CG 3.31Å; I408-Q412 PolarHBondContact O-N 3.16Å; V409-Q412 PolarHBondContact O-N 3.08Å; V409-Q412 VanDerWaalsContact O-N 3.09Å; K410-Q412 PolarHBondContact O-N 2.9Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; Q412-L415 PolarHBondContact O-N 2.99Å; Q412-M665 HydrophobicContact CB-CE 3.81Å; Q412-M665 HydrophobicContact CB-CG 4.19Å; Q412-M665 HydrophobicContact CB-SD 3.63Å
413I94.5Very high92.8Very high0 Ų041.6 Ų41.60%021%0.207CC..Hα-helixtrans-64.3-40.3175.4-64.9174.7000110.5V409 K410 L415 L416 I475 E478 L479 Y664 M665 V668V409-I413 HydrophobicContact CG1-CD1 3.54Å; V409-I413 HydrophobicContact CG1-CG1 4.09Å; V409-I413 VanDerWaalsContact O-CG1 3.32Å; V409-I413 WeakPolarHBondContact O-CG1 3.32Å; V409-I413 PolarHBondContact O-N 3.49Å; K410-I413 PolarHBondContact O-N 2.75Å; I413-L415 PolarHBondContact O-N 3.33Å; I413-L416 VanDerWaalsContact O-CB 3.23Å; I413-L416 WeakPolarHBondContact O-CB 3.09Å; I413-L416 PolarHBondContact O-N 3.45Å; I413-I475 HydrophobicContact CG2-CG2 3.91Å; I413-E478 HydrophobicContact CD1-CB 4.4Å; I413-E478 HydrophobicContact CG2-CB 3.86Å; I413-L479 HydrophobicContact CB-CD2 3.72Å; I413-L479 HydrophobicContact CB-CG 4.37Å; I413-L479 HydrophobicContact CG2-CD2 3.69Å; I413-L479 HydrophobicContact CG2-CG 3.77Å; I413-Y664 HydrophobicContact CD1-CE1 4.1Å; I413-M665 HydrophobicContact CG1-CE 4.33Å; I413-M665 HydrophobicContact CG1-SD 3.73Å; I413-V668 HydrophobicContact CD1-CG1 4.38Å; I413-V668 HydrophobicContact CD1-CG2 4Å; I413-V668 HydrophobicContact CG1-CG1 4.12Å; I413-V668 HydrophobicContact CG1-CG2 4.38Å; I413-V668 HydrophobicContact CG2-CG1 4.5Å
414A93.9Very high93.5Very high39 Ų3936.4 Ų36.432%0.32218%0.182SC..Hα-helixtrans-61.3-32.2179.600000112.9K410 R411 Q412 L416 K417 L479K410-A414 WeakPolarHBondContact O-CB 3.5Å; K410-A414 PolarHBondContact O-N 2.91Å; R411-A414 PolarHBondContact O-N 2.86Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; A414-L416 PolarHBondContact O-N 3.4Å; A414-K417 WeakPolarHBondContact O-CB 3.34Å; A414-K417 WeakPolarHBondContact O-CG 3.36Å; A414-K417 PolarHBondContact O-N 2.97Å; A414-L479 HydrophobicContact CB-CD1 4.39Å; A414-L479 HydrophobicContact CB-CD2 4.41Å
415L92.3Very high93.9Very high69 Ų6939.4 Ų39.436%0.36120%0.198SC..Hα-helixtrans-65.1-22.8175.2-64.9174.6000112.7M373 R411 Q412 I413 K417 P419M373-L415 HydrophobicContact CE-CB 4.24Å; M373-L415 WeakPolarHBondContact CE-O 3.36Å; M373-L415 HydrophobicContact SD-CB 4.46Å; R411-L415 PolarHBondContact O-N 2.68Å; Q412-L415 PolarHBondContact O-N 2.99Å; I413-L415 PolarHBondContact O-N 3.33Å; L415-K417 PolarHBondContact O-N 3.06Å; L415-K417 VanDerWaalsContact O-N 3.15Å; L415-P419 VanDerWaalsContact O-CD 3.28Å; L415-P419 WeakPolarHBondContact O-CD 3.33Å
416L93.3Very high94.2Very high3 Ų341.5 Ų41.52%0.01621%0.209CC..THydrogen-bonded Turntrans-64.4-15.3175.7-61.8173.1000113.7I370 M373 I413 A414 E418 P419 V420 I475 M665 V668I370-L416 HydrophobicContact CG1-CD2 4.31Å; I370-L416 HydrophobicContact CG2-CD2 3.92Å; M373-L416 HydrophobicContact CE-CD2 3.84Å; I413-L416 VanDerWaalsContact O-CB 3.23Å; I413-L416 WeakPolarHBondContact O-CB 3.09Å; I413-L416 PolarHBondContact O-N 3.45Å; A414-L416 PolarHBondContact O-N 3.4Å; L416-E418 PolarHBondContact O-N 3.21Å; L416-P419 VanDerWaalsContact O-CD 3.23Å; L416-P419 WeakPolarHBondContact O-CD 3.37Å; L416-P419 VanDerWaalsContact O-CG 3.28Å; L416-P419 WeakPolarHBondContact O-CG 3.35Å; L416-V420 WeakPolarHBondContact O-CG1 3.33Å; L416-V420 VanDerWaalsContact O-CG2 3.3Å; L416-V420 WeakPolarHBondContact O-CG2 3.37Å; L416-V420 PolarHBondContact O-N 3.45Å; L416-I475 HydrophobicContact CB-CD1 4.18Å; L416-M665 HydrophobicContact CD1-CE 4.27Å; L416-V668 HydrophobicContact CD1-CG1 3.81Å
417K95.1Very high94.5Very high68 Ų6838.1 Ų38.130%0.29619%0.193SC..Hα-helixtrans-61.5-41.1178.8-68.8-175.6174.6-169.10112.9A414 L415 V420 I421 L472 I475 D476A414-K417 WeakPolarHBondContact O-CB 3.34Å; A414-K417 WeakPolarHBondContact O-CG 3.36Å; A414-K417 PolarHBondContact O-N 2.97Å; L415-K417 PolarHBondContact O-N 3.06Å; L415-K417 VanDerWaalsContact O-N 3.15Å; K417-V420 VanDerWaalsContact O-CG2 3.28Å; K417-V420 WeakPolarHBondContact O-CG2 3.46Å; K417-I421 WeakPolarHBondContact O-CG1 3.36Å; K417-I421 PolarHBondContact O-N 3.03Å; K417-L472 HydrophobicContact CB-CD2 3.8Å; K417-L472 HydrophobicContact CD-CD2 4.01Å; K417-L472 HydrophobicContact CG-CD2 3.76Å; K417-I475 HydrophobicContact CG-CB 4.29Å; K417-I475 HydrophobicContact CG-CG2 3.84Å; K417-D476 VanDerWaalsContact CE-OD1 3.27Å; K417-D476 WeakPolarHBondContact CE-OD1 3.36Å; K417-D476 IonicContact NZ-OD1 2.61Å; K417-D476 PolarHBondContact NZ-OD1 2.79Å; K417-D476 IonicContact NZ-OD2 3.26Å
418E93.7Very high94.8Very high144 Ų14436.1 Ų36.167%0.67318%0.176SC*.Hα-helixtrans-65.4-52.7-178.7-169.3-177.5164.800113.8L416 V420 I421 K422L416-E418 PolarHBondContact O-N 3.21Å; E418-V420 VanDerWaalsContact C-N 3.31Å; E418-V420 PolarHBondContact O-N 2.66Å; E418-I421 PolarHBondContact O-N 2.65Å; E418-K422 WeakPolarHBondContact O-CB 3.21Å; E418-K422 PolarHBondContact O-N 2.76Å
419P93.4Very high95Very high5 Ų541.8 Ų41.83%0.03220%0.202CC..Hα-helixtrans-67.1-30.7-176.327.3-38.4000113E369 I370 M373 L415 L416 C423E369-P419 HydrophobicContact CB-CB 3.81Å; I370-P419 HydrophobicContact CG1-CB 4.38Å; I370-P419 HydrophobicContact CG1-CG 4.31Å; M373-P419 HydrophobicContact CE-CG 3.54Å; M373-P419 HydrophobicContact SD-CB 4.43Å; M373-P419 WeakPolarHBondContact SD-CD 3.15Å; M373-P419 HydrophobicContact SD-CG 3.69Å; L415-P419 VanDerWaalsContact O-CD 3.28Å; L415-P419 WeakPolarHBondContact O-CD 3.33Å; L416-P419 VanDerWaalsContact O-CD 3.23Å; L416-P419 WeakPolarHBondContact O-CD 3.37Å; L416-P419 VanDerWaalsContact O-CG 3.28Å; L416-P419 WeakPolarHBondContact O-CG 3.35Å; P419-C423 WeakPolarHBondContact O-CB 3.34Å; P419-C423 PolarHBondContact O-N 3.33Å
420V95.6Very high95.1Very high0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-72.7-38.3178-57.80000111.4L366 L416 K417 E418 C423 V424 I471 I475 T672 V676L366-V420 HydrophobicContact CD1-CG1 4.47Å; L416-V420 WeakPolarHBondContact O-CG1 3.33Å; L416-V420 VanDerWaalsContact O-CG2 3.3Å; L416-V420 WeakPolarHBondContact O-CG2 3.37Å; L416-V420 PolarHBondContact O-N 3.45Å; K417-V420 VanDerWaalsContact O-CG2 3.28Å; K417-V420 WeakPolarHBondContact O-CG2 3.46Å; E418-V420 VanDerWaalsContact C-N 3.31Å; E418-V420 PolarHBondContact O-N 2.66Å; V420-C423 WeakPolarHBondContact O-CB 3.25Å; V420-C423 PolarHBondContact O-N 3.39Å; V420-V424 WeakPolarHBondContact O-CG2 3.29Å; V420-V424 PolarHBondContact O-N 2.87Å; V420-I471 HydrophobicContact CB-CG2 3.73Å; V420-I471 HydrophobicContact CG2-CG2 3.44Å; V420-I471 VanDerWaalsContact CG2-CG2 3.44Å; V420-I475 HydrophobicContact CG2-CG1 4.44Å; V420-T672 HydrophobicContact CG1-CG2 3.61Å; V420-V676 HydrophobicContact CB-CG1 4.39Å; V420-V676 HydrophobicContact CB-CG2 4.04Å; V420-V676 HydrophobicContact CG1-CG2 3.7Å
421I96.5Very high95.1Very high37 Ų3738.8 Ų38.819%0.1919%0.189CC..Hα-helixtrans-63.7-45.4172.9-68.7-65.5000110.6K417 E418 C423 V424 D425 K468 L472K417-I421 WeakPolarHBondContact O-CG1 3.36Å; K417-I421 PolarHBondContact O-N 3.03Å; E418-I421 PolarHBondContact O-N 2.65Å; I421-C423 VanDerWaalsContact C-N 3.25Å; I421-C423 PolarHBondContact O-N 2.86Å; I421-V424 WeakPolarHBondContact O-CB 3.46Å; I421-V424 PolarHBondContact O-N 3.39Å; I421-D425 PolarHBondContact O-N 3.39Å; I421-K468 HydrophobicContact CD1-CB 3.62Å; I421-K468 HydrophobicContact CD1-CD 4.1Å; I421-K468 HydrophobicContact CD1-CG 3.59Å; I421-K468 HydrophobicContact CG2-CD 4.39Å; I421-L472 HydrophobicContact CD1-CD1 4.04Å; I421-L472 HydrophobicContact CD1-CD2 4.08Å; I421-L472 HydrophobicContact CD1-CG 3.91Å; I421-L472 HydrophobicContact CG1-CD2 4.03Å; I421-L472 HydrophobicContact CG1-CG 4.42Å
422K95.7Very high95.3Very high71 Ų7135.2 Ų35.231%0.30918%0.179SC..Hα-helixtrans-60.4-35.2176.4-170.1178.1-172.1179.50112.7E369 E418 D425 L426E369-K422 WeakPolarHBondContact OE1-CE 3.4Å; E369-K422 IonicContact OE1-NZ 2.76Å; E369-K422 PolarHBondContact OE1-NZ 3.28Å; E369-K422 IonicContact OE2-NZ 3.16Å; E369-K422 PolarHBondContact OE2-NZ 3.01Å; E418-K422 WeakPolarHBondContact O-CB 3.21Å; E418-K422 PolarHBondContact O-N 2.76Å; K422-D425 PolarHBondContact O-N 3.29Å; K422-L426 HydrophobicContact CG-CD1 4.49Å; K422-L426 VanDerWaalsContact O-CG 3.31Å; K422-L426 WeakPolarHBondContact O-CG 3.35Å; K422-L426 PolarHBondContact O-N 2.93Å
423C96.7Very high95.4Very high5 Ų536.5 Ų36.53%0.03419%0.188CC..Hα-helixtrans-61.8-44173.8-172.90000111.4L366 P419 V420 I421 L426 V427L366-C423 HydrophobicContact CD1-CB 3.98Å; P419-C423 WeakPolarHBondContact O-CB 3.34Å; P419-C423 PolarHBondContact O-N 3.33Å; V420-C423 WeakPolarHBondContact O-CB 3.25Å; V420-C423 PolarHBondContact O-N 3.39Å; I421-C423 VanDerWaalsContact C-N 3.25Å; I421-C423 PolarHBondContact O-N 2.86Å; C423-L426 PolarHBondContact O-N 2.94Å; C423-V427 VanDerWaalsContact O-CG2 3.28Å; C423-V427 WeakPolarHBondContact O-CG2 3.4Å; C423-V427 PolarHBondContact O-N 2.61Å; C423-V427 VanDerWaalsContact O-N 3.16Å
424V97.9Very high95.3Very high0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-59.2-47.6174.6-1790000110.7V420 I421 L426 V427 V428 E464 K468 I471 I680 I684V420-V424 WeakPolarHBondContact O-CG2 3.29Å; V420-V424 PolarHBondContact O-N 2.87Å; I421-V424 WeakPolarHBondContact O-CB 3.46Å; I421-V424 PolarHBondContact O-N 3.39Å; V424-L426 PolarHBondContact O-N 2.99Å; V424-V427 PolarHBondContact O-N 3.03Å; V424-V428 HydrophobicContact CG1-CG2 4.35Å; V424-V428 WeakPolarHBondContact O-CG2 3.36Å; V424-V428 PolarHBondContact O-N 3.37Å; V424-E464 HydrophobicContact CG1-CG 4.11Å; V424-K468 HydrophobicContact CB-CG 4.33Å; V424-K468 HydrophobicContact CG1-CG 4.03Å; V424-K468 HydrophobicContact CG2-CG 4.48Å; V424-I471 HydrophobicContact CG2-CD1 3.53Å; V424-I680 HydrophobicContact CB-CD1 4.47Å; V424-I680 HydrophobicContact CG2-CD1 3.8Å; V424-I680 HydrophobicContact CG2-CG1 3.97Å; V424-I684 HydrophobicContact CG1-CD1 3.75Å
425D97.5Very high95.3Very high63 Ų6334.8 Ų34.834%0.33717%0.174SC..Hα-helixtrans-57.3-47.3-179.5-65.9-27.7000112.2I421 K422 V427 V428 Q429 K468I421-D425 PolarHBondContact O-N 3.39Å; K422-D425 PolarHBondContact O-N 3.29Å; D425-V427 VanDerWaalsContact C-N 3.31Å; D425-V427 PolarHBondContact O-N 3.07Å; D425-V428 PolarHBondContact O-N 2.78Å; D425-Q429 WeakPolarHBondContact O-CB 3.17Å; D425-Q429 PolarHBondContact O-N 3.41Å; D425-K468 WeakPolarHBondContact OD1-CE 3.31Å; D425-K468 IonicContact OD1-NZ 3.52Å; D425-K468 PolarHBondContact OD1-NZ 3.42Å
426L97Very high95.3Very high49 Ų4937.2 Ų37.226%0.25718%0.178SC..Hα-helixtrans-63.6-37.4179.9-70.2173.2000112.1I361 R365 K422 C423 V424 E430I361-L426 HydrophobicContact CD1-CB 4Å; I361-L426 HydrophobicContact CG1-CB 4.4Å; I361-L426 HydrophobicContact CG2-CB 4.06Å; I361-L426 HydrophobicContact CG2-CD1 4.46Å; R365-L426 HydrophobicContact CG-CD1 3.86Å; K422-L426 HydrophobicContact CG-CD1 4.49Å; K422-L426 VanDerWaalsContact O-CG 3.31Å; K422-L426 WeakPolarHBondContact O-CG 3.35Å; K422-L426 PolarHBondContact O-N 2.93Å; C423-L426 PolarHBondContact O-N 2.94Å; V424-L426 PolarHBondContact O-N 2.99Å; L426-E430 PolarHBondContact O-N 3.26Å; L426-E430 VanDerWaalsContact O-N 3.1Å
427V97.4Very high95.2Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-69.2-43.7177.2174.60000110.9I358 I361 F362 C423 V424 D425 Q429 E430 L431 I680 I685I358-V427 HydrophobicContact CG2-CG1 4.41Å; I361-V427 HydrophobicContact CB-CG2 4.48Å; I361-V427 HydrophobicContact CD1-CG2 4.48Å; I361-V427 HydrophobicContact CG2-CG2 3.93Å; F362-V427 HydrophobicContact CD1-CG2 4.27Å; F362-V427 HydrophobicContact CE1-CG2 3.56Å; F362-V427 HydrophobicContact CZ-CG2 4.11Å; C423-V427 VanDerWaalsContact O-CG2 3.28Å; C423-V427 WeakPolarHBondContact O-CG2 3.4Å; C423-V427 PolarHBondContact O-N 2.61Å; C423-V427 VanDerWaalsContact O-N 3.16Å; V424-V427 PolarHBondContact O-N 3.03Å; D425-V427 VanDerWaalsContact C-N 3.31Å; D425-V427 PolarHBondContact O-N 3.07Å; V427-Q429 VanDerWaalsContact C-N 3.31Å; V427-Q429 PolarHBondContact O-N 3.42Å; V427-E430 PolarHBondContact O-N 3.31Å; V427-L431 WeakPolarHBondContact O-CB 3.44Å; V427-L431 PolarHBondContact O-N 2.88Å; V427-I680 HydrophobicContact CB-CG2 4.13Å; V427-I680 HydrophobicContact CG1-CG2 3.65Å; V427-I680 HydrophobicContact CG2-CG2 4.23Å; V427-I685 HydrophobicContact CG1-CD1 4.04Å; V427-I685 HydrophobicContact CG1-CG1 4.43Å
428V97.5Very high95Very high10 Ų1039 Ų396%0.06119%0.189CC..Hα-helixtrans-64.1-38.3177.51690000111.5V424 D425 L431 S432 V460 E464 I684V424-V428 HydrophobicContact CG1-CG2 4.35Å; V424-V428 WeakPolarHBondContact O-CG2 3.36Å; V424-V428 PolarHBondContact O-N 3.37Å; D425-V428 PolarHBondContact O-N 2.78Å; V428-L431 PolarHBondContact O-N 2.98Å; V428-S432 WeakPolarHBondContact O-CB 3.36Å; V428-S432 PolarHBondContact O-N 3.49Å; V428-S432 PolarHBondContact O-OG 3.31Å; V428-V460 HydrophobicContact CG1-CG1 3.89Å; V428-V460 HydrophobicContact CG2-CG1 4.39Å; V428-E464 HydrophobicContact CG2-CB 3.91Å; V428-E464 HydrophobicContact CG2-CG 3.89Å; V428-I684 HydrophobicContact CG2-CD1 3.99Å; V428-I684 HydrophobicContact CG2-CG2 4.46Å
429Q96.3Very high95Very high126 Ų12632.1 Ų32.159%0.58916%0.157SC*.Hα-helixtrans-60.8-46.8173.9-175-179.45.700111.4D425 V427 S432 V433D425-Q429 WeakPolarHBondContact O-CB 3.17Å; D425-Q429 PolarHBondContact O-N 3.41Å; V427-Q429 VanDerWaalsContact C-N 3.31Å; V427-Q429 PolarHBondContact O-N 3.42Å; Q429-S432 WeakPolarHBondContact O-CB 3.41Å; Q429-S432 PolarHBondContact O-N 3.12Å; Q429-V433 PolarHBondContact O-N 3.33Å
430E94.8Very high94.8Very high8 Ų833.9 Ų33.94%0.03717%0.172CC..Hα-helixtrans-65.2-41.3177.2-175.358.9-162.700111.7G354 K357 I358 I361 L426 V427 S432 V433 V434G354-E430 PolarHBondContact N-OE1 2.89Å; K357-E430 HydrophobicContact CB-CG 4.22Å; K357-E430 HydrophobicContact CD-CG 4.45Å; K357-E430 VanDerWaalsContact CD-OE2 3.22Å; K357-E430 WeakPolarHBondContact CD-OE2 3.43Å; K357-E430 WeakPolarHBondContact CE-OE2 3.16Å; K357-E430 HydrophobicContact CG-CG 4.28Å; K357-E430 IonicContact NZ-OE2 2.76Å; K357-E430 PolarHBondContact NZ-OE2 3.5Å; I358-E430 HydrophobicContact CD1-CG 4.49Å; I358-E430 HydrophobicContact CG1-CB 4.28Å; I358-E430 HydrophobicContact CG1-CG 3.9Å; I361-E430 HydrophobicContact CD1-CB 4.46Å; L426-E430 PolarHBondContact O-N 3.26Å; L426-E430 VanDerWaalsContact O-N 3.1Å; V427-E430 PolarHBondContact O-N 3.31Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 2.92Å; E430-V433 WeakPolarHBondContact O-CA 3.43Å; E430-V433 WeakPolarHBondContact O-CB 3.41Å; E430-V433 PolarHBondContact O-N 2.66Å; E430-V434 PolarHBondContact O-N 3.05Å
431L95.4Very high94.3Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-61-39176.7-163.861.2000111.8F335 I339 V427 V428 V433 V434 V435 V460 I684 A688F335-L431 HydrophobicContact CE2-CD1 3.79Å; F335-L431 HydrophobicContact CZ-CD1 3.66Å; I339-L431 HydrophobicContact CD1-CD1 3.76Å; V427-L431 WeakPolarHBondContact O-CB 3.44Å; V427-L431 PolarHBondContact O-N 2.88Å; V428-L431 PolarHBondContact O-N 2.98Å; L431-V433 VanDerWaalsContact C-N 3.29Å; L431-V433 PolarHBondContact O-N 3.25Å; L431-V434 PolarHBondContact O-N 3.2Å; L431-V435 WeakPolarHBondContact O-CG2 3.27Å; L431-V435 PolarHBondContact O-N 2.97Å; L431-V460 HydrophobicContact CD2-CG1 3.94Å; L431-V460 HydrophobicContact CD2-CG2 3.83Å; L431-V460 HydrophobicContact CG-CG2 4.49Å; L431-I684 HydrophobicContact CD2-CG2 3.83Å; L431-A688 HydrophobicContact CD2-CB 4.36Å
432S94.8Very high93.9Very high23 Ų2338 Ų3816%0.16119%0.189CC..Hα-helixtrans-63.7-33.9174.7-57.40000112.4V428 Q429 E430 R436V428-S432 WeakPolarHBondContact O-CB 3.36Å; V428-S432 PolarHBondContact O-N 3.49Å; V428-S432 PolarHBondContact O-OG 3.31Å; Q429-S432 WeakPolarHBondContact O-CB 3.41Å; Q429-S432 PolarHBondContact O-N 3.12Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 2.92Å; S432-R436 WeakPolarHBondContact O-CG 3.32Å; S432-R436 PolarHBondContact O-N 3.01Å; S432-R436 PolarHBondContact O-NE 2.83Å
433V93.3Very high93.4Very high46 Ų4637.9 Ų37.928%0.27920%0.197SC..Hα-helixtrans-66.5-45.9172.61740000110.5Q429 E430 L431 V435 R436 M437Q429-V433 PolarHBondContact O-N 3.33Å; E430-V433 WeakPolarHBondContact O-CA 3.43Å; E430-V433 WeakPolarHBondContact O-CB 3.41Å; E430-V433 PolarHBondContact O-N 2.66Å; L431-V433 VanDerWaalsContact C-N 3.29Å; L431-V433 PolarHBondContact O-N 3.25Å; V433-V435 PolarHBondContact O-N 3.26Å; V433-R436 PolarHBondContact O-N 3.47Å; V433-M437 HydrophobicContact CG1-CG 4.43Å; V433-M437 HydrophobicContact CG1-SD 4.1Å; V433-M437 WeakPolarHBondContact O-CG 3.18Å; V433-M437 PolarHBondContact O-N 2.91Å
434V92.7Very high92.8Very high0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-58.2-47.6177.2174.50000111.3F335 T338 I339 E430 L431 R436 M437 C438F335-V434 HydrophobicContact CD2-CG1 3.87Å; F335-V434 HydrophobicContact CE2-CG1 4.1Å; T338-V434 HydrophobicContact CG2-CG1 3.77Å; T338-V434 HydrophobicContact CG2-CG2 4.06Å; I339-V434 HydrophobicContact CD1-CG1 4.16Å; I339-V434 HydrophobicContact CD1-CG2 4.2Å; I339-V434 HydrophobicContact CG1-CG1 4.42Å; E430-V434 PolarHBondContact O-N 3.05Å; L431-V434 PolarHBondContact O-N 3.2Å; V434-R436 VanDerWaalsContact C-N 3.32Å; V434-R436 PolarHBondContact O-N 2.68Å; V434-M437 PolarHBondContact O-N 3.11Å; V434-M437 VanDerWaalsContact O-N 3.13Å; V434-C438 PolarHBondContact O-N 2.96Å; V434-C438 PolarHBondContact O-SG 3.37Å
435V94.5Very high92.4Very high4 Ų440.9 Ų40.92%0.02421%0.208CC..Hα-helixtrans-58-44.4178.1172.90000111.4F335 L431 V433 M437 C438 T439 E453 I456F335-V435 HydrophobicContact CD2-CG2 4.41Å; F335-V435 HydrophobicContact CE2-CG2 3.95Å; L431-V435 WeakPolarHBondContact O-CG2 3.27Å; L431-V435 PolarHBondContact O-N 2.97Å; V433-V435 PolarHBondContact O-N 3.26Å; V435-M437 PolarHBondContact O-N 2.85Å; V435-C438 PolarHBondContact O-N 3.31Å; V435-T439 HydrophobicContact CG1-CG2 4.31Å; V435-T439 WeakPolarHBondContact O-CB 3.28Å; V435-T439 VanDerWaalsContact O-CG2 3.29Å; V435-T439 WeakPolarHBondContact O-CG2 3.47Å; V435-T439 PolarHBondContact O-N 3.42Å; V435-T439 PolarHBondContact O-OG1 2.83Å; V435-E453 HydrophobicContact CG1-CG 4.4Å; V435-I456 HydrophobicContact CB-CG2 4.44Å; V435-I456 HydrophobicContact CG1-CB 4.09Å; V435-I456 HydrophobicContact CG1-CD1 4.31Å; V435-I456 HydrophobicContact CG1-CG2 3.9Å; V435-I456 HydrophobicContact CG2-CG2 3.6Å
436R93.1Very high92Very high120 Ų12040.2 Ų40.245%0.45321%0.207SC..Hα-helixtrans-62.1-41.1175.7-80-174.5-66.7-136.51.2113S432 V433 V434 T439 A440 E453S432-R436 WeakPolarHBondContact O-CG 3.32Å; S432-R436 PolarHBondContact O-N 3.01Å; S432-R436 PolarHBondContact O-NE 2.83Å; V433-R436 PolarHBondContact O-N 3.47Å; V434-R436 VanDerWaalsContact C-N 3.32Å; V434-R436 PolarHBondContact O-N 2.68Å; R436-T439 WeakPolarHBondContact CA-OG1 3.24Å; R436-T439 PolarHBondContact O-OG1 2.9Å; R436-A440 WeakPolarHBondContact O-CB 3.49Å; R436-A440 PolarHBondContact O-N 3.13Å; R436-E453 WeakPolarHBondContact CD-OE1 3.45Å; R436-E453 HydrophobicContact CG-CG 4.42Å; R436-E453 WeakPolarHBondContact CG-OE1 3.5Å
437M90.4Very high91.7Very high102 Ų10242.7 Ų42.750%0.50221%0.213SC..Hα-helixtrans-64.8-44.6177.3-71.4179.36800111.8V433 V434 V435 A440V433-M437 HydrophobicContact CG1-CG 4.43Å; V433-M437 HydrophobicContact CG1-SD 4.1Å; V433-M437 WeakPolarHBondContact O-CG 3.18Å; V433-M437 PolarHBondContact O-N 2.91Å; V434-M437 PolarHBondContact O-N 3.11Å; V434-M437 VanDerWaalsContact O-N 3.13Å; V435-M437 PolarHBondContact O-N 2.85Å; M437-A440 WeakPolarHBondContact O-CB 3.33Å; M437-A440 PolarHBondContact O-N 2.72Å
438C91.4Very high91.5Very high6 Ų642.7 Ų42.74%0.04121%0.213CC..Hα-helixtrans-67.8-42.8-179.8-60.60000111.5L331 D334 V434 V435 A440 K441L331-C438 HydrophobicContact CD1-CB 3.49Å; L331-C438 VanDerWaalsContact CD1-CB 3.49Å; D334-C438 HydrophobicContact CB-CB 4.42Å; V434-C438 PolarHBondContact O-N 2.96Å; V434-C438 PolarHBondContact O-SG 3.37Å; V435-C438 PolarHBondContact O-N 3.31Å; C438-A440 VanDerWaalsContact C-N 3.3Å; C438-A440 PolarHBondContact O-N 3.03Å; C438-K441 PolarHBondContact O-N 2.73Å
439T92.9Very high91.3Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-71.8-19.8178.655.70000113.3L331 V435 R436 K441 M442 R449 T452 E453L331-T439 HydrophobicContact CD1-CG2 3.7Å; V435-T439 HydrophobicContact CG1-CG2 4.31Å; V435-T439 WeakPolarHBondContact O-CB 3.28Å; V435-T439 VanDerWaalsContact O-CG2 3.29Å; V435-T439 WeakPolarHBondContact O-CG2 3.47Å; V435-T439 PolarHBondContact O-N 3.42Å; V435-T439 PolarHBondContact O-OG1 2.83Å; R436-T439 WeakPolarHBondContact CA-OG1 3.24Å; R436-T439 PolarHBondContact O-OG1 2.9Å; T439-K441 PolarHBondContact O-N 2.94Å; T439-K441 VanDerWaalsContact O-N 3.16Å; T439-M442 WeakPolarHBondContact O-CA 3.49Å; T439-M442 VanDerWaalsContact O-CB 3.25Å; T439-M442 WeakPolarHBondContact O-CB 3.33Å; T439-M442 PolarHBondContact O-N 2.86Å; T439-R449 WeakPolarHBondContact O-CD 3.29Å; T439-R449 WeakPolarHBondContact O-CG 3.1Å; T439-T452 HydrophobicContact CG2-CG2 4.07Å; T439-E453 HydrophobicContact CG2-CB 4.37Å
440A89.3Confident91.1Very high42 Ų4246.6 Ų46.635%0.34723%0.226SC..G310 helixtrans-59-28.1176.100000113.2R436 M437 C438 M442 S443R436-A440 WeakPolarHBondContact O-CB 3.49Å; R436-A440 PolarHBondContact O-N 3.13Å; M437-A440 WeakPolarHBondContact O-CB 3.33Å; M437-A440 PolarHBondContact O-N 2.72Å; C438-A440 VanDerWaalsContact C-N 3.3Å; C438-A440 PolarHBondContact O-N 3.03Å; A440-M442 PolarHBondContact O-N 3.08Å; A440-S443 WeakPolarHBondContact O-CB 3.3Å; A440-S443 PolarHBondContact O-N 2.83Å; A440-S443 VanDerWaalsContact O-N 3.16Å; A440-S443 PolarHBondContact O-OG 2.86Å
441K85.1Confident91.1Very high120 Ų12048 Ų4852%0.52223%0.233SC..G310 helixtrans-67.8-13174-62.8-175.1-173.4177.10113.2M327 D334 C438 T439 S443M327-K441 VanDerWaalsContact CE-O 3.29Å; M327-K441 WeakPolarHBondContact CE-O 3.43Å; D334-K441 IonicContact OD1-NZ 2.74Å; D334-K441 PolarHBondContact OD1-NZ 2.77Å; D334-K441 VanDerWaalsContact OD2-CD 3.27Å; D334-K441 WeakPolarHBondContact OD2-CD 3.38Å; D334-K441 WeakPolarHBondContact OD2-CE 3.34Å; D334-K441 IonicContact OD2-NZ 3.17Å; D334-K441 PolarHBondContact OD2-NZ 2.84Å; C438-K441 PolarHBondContact O-N 2.73Å; T439-K441 PolarHBondContact O-N 2.94Å; T439-K441 VanDerWaalsContact O-N 3.16Å; K441-S443 VanDerWaalsContact C-N 3.3Å
442M87.4Confident91Very high3 Ų348 Ų482%0.01523%0.233CC..G310 helixtrans-88.112.2173.1-58.1171.4161.300113.5M327 I328 L331 T439 A440 R444 Y445 R449 T452M327-M442 VanDerWaalsContact C-CE 3.49Å; M327-M442 HydrophobicContact CB-CE 3.93Å; M327-M442 HydrophobicContact CB-CG 4.43Å; M327-M442 VanDerWaalsContact CE-CA 3.49Å; M327-M442 HydrophobicContact CE-CB 4Å; M327-M442 HydrophobicContact CE-CG 3.71Å; M327-M442 WeakPolarHBondContact O-CE 3.39Å; I328-M442 HydrophobicContact CG1-CE 4.42Å; L331-M442 HydrophobicContact CB-CE 3.68Å; L331-M442 HydrophobicContact CD1-CE 4.3Å; L331-M442 HydrophobicContact CD2-CE 4.08Å; L331-M442 HydrophobicContact CG-CE 4.25Å; T439-M442 WeakPolarHBondContact O-CA 3.49Å; T439-M442 VanDerWaalsContact O-CB 3.25Å; T439-M442 WeakPolarHBondContact O-CB 3.33Å; T439-M442 PolarHBondContact O-N 2.86Å; A440-M442 PolarHBondContact O-N 3.08Å; M442-R444 PolarHBondContact O-N 3.26Å; M442-Y445 CarbonylContact O-C 3.56Å; M442-Y445 PolarHBondContact O-N 3.5Å; M442-R449 HydrophobicContact CB-CB 3.96Å; M442-R449 HydrophobicContact CB-CG 4.45Å; M442-T452 HydrophobicContact SD-CG2 4.23Å
443S85.8Confident91Very high69 Ų6949 Ų4948%0.48324%0.235SC..THydrogen-bonded Turntrans-54.9-24.2-177.857.10000115A440 K441 Y445A440-S443 WeakPolarHBondContact O-CB 3.3Å; A440-S443 PolarHBondContact O-N 2.83Å; A440-S443 VanDerWaalsContact O-N 3.16Å; A440-S443 PolarHBondContact O-OG 2.86Å; K441-S443 VanDerWaalsContact C-N 3.3Å; S443-Y445 PolarHBondContact O-N 3.45Å
444R83.9Confident91.1Very high62 Ų6253.1 Ų53.123%0.23425%0.246CC..THydrogen-bonded Turntrans-57.8-35.2173.2-173.4175.6-176.8-167.8-4.9112.8M442 P446 E712 S713M442-R444 PolarHBondContact O-N 3.26Å; R444-P446 WeakPolarHBondContact O-CD 3.33Å; R444-E712 HydrophobicContact CG-CG 4.35Å; R444-E712 IonicContact CZ-OE1 3.12Å; R444-E712 VanDerWaalsContact CZ-OE1 3.27Å; R444-E712 IonicContact NE-OE1 3.79Å; R444-E712 PolarHBondContact NE-OE1 2.74Å; R444-E712 IonicContact NH2-OE1 2.62Å; R444-E712 PolarHBondContact NH2-OE1 3.15Å; R444-E712 WeakPolarHBondContact O-CA 3.45Å; R444-S713 PolarHBondContact O-N 3.08Å
445Y89.4Confident91.3Very high6 Ų654 Ų542%0.02425%0.25CS..SBendtrans-119.985-179.1-57.4-68.1000109.5M442 S443 R447 L448 R449 M710M442-Y445 CarbonylContact O-C 3.56Å; M442-Y445 PolarHBondContact O-N 3.5Å; S443-Y445 PolarHBondContact O-N 3.45Å; Y445-R447 VanDerWaalsContact C-N 3.32Å; Y445-R447 PolarHBondContact O-N 3.36Å; Y445-L448 PolarHBondContact O-N 2.88Å; Y445-R449 PolarHBondContact O-N 3.12Å; Y445-M710 HydrophobicContact CD1-CE 4.14Å; Y445-M710 WeakPolarHBondContact CD1-O 3.41Å; Y445-M710 HydrophobicContact CD1-SD 4.47Å; Y445-M710 HydrophobicContact CD2-CE 3.86Å; Y445-M710 HydrophobicContact CD2-SD 4.37Å; Y445-M710 HydrophobicContact CE1-CE 3.88Å; Y445-M710 WeakPolarHBondContact CE1-O 3.38Å; Y445-M710 HydrophobicContact CE2-CE 3.58Å; Y445-M710 HydrophobicContact CG-CE 4.13Å; Y445-M710 HydrophobicContact CG-SD 4.28Å
446P90.4Very high91.4Very high48 Ų4853.9 Ų53.931%0.31225%0.249SC..Hα-helixtrans-59.4-41.2-170.8-23.633.1000113.2R444 R449 E450R444-P446 WeakPolarHBondContact O-CD 3.33Å; P446-R449 WeakPolarHBondContact O-CB 3.47Å; P446-R449 PolarHBondContact O-N 3.27Å; P446-E450 WeakPolarHBondContact O-CG 3.46Å; P446-E450 PolarHBondContact O-N 2.9Å
447R90.8Very high91.6Very high102 Ų10249.5 Ų49.539%0.38524%0.236SC..Hα-helixtrans-68.2-42.6-179.8-72-177.1175.9146.61.6112.4Y445 R449 E450 E451 Q708 E711Y445-R447 VanDerWaalsContact C-N 3.32Å; Y445-R447 PolarHBondContact O-N 3.36Å; R447-R449 VanDerWaalsContact C-N 3.29Å; R447-R449 PolarHBondContact O-N 3.47Å; R447-E450 PolarHBondContact O-N 3Å; R447-E451 WeakPolarHBondContact O-CB 3.46Å; R447-E451 PolarHBondContact O-N 2.82Å; R447-Q708 WeakPolarHBondContact CD-O 3.02Å; R447-E711 IonicContact CZ-OE2 3.16Å; R447-E711 IonicContact NH1-OE1 2.65Å; R447-E711 PolarHBondContact NH1-OE1 3.33Å; R447-E711 IonicContact NH1-OE2 2.8Å; R447-E711 PolarHBondContact NH1-OE2 3.15Å
448L91.8Very high91.8Very high0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-57.7-45171.8177.668.8000111M324 M327 Y445 T452 L700 M709 M710M324-L448 HydrophobicContact CE-CD1 4Å; M324-L448 HydrophobicContact CG-CD1 4.06Å; M324-L448 HydrophobicContact CG-CD2 4.45Å; M324-L448 HydrophobicContact SD-CD1 4.48Å; M327-L448 HydrophobicContact CB-CD2 4.41Å; Y445-L448 PolarHBondContact O-N 2.88Å; L448-T452 WeakPolarHBondContact O-CB 3.41Å; L448-T452 PolarHBondContact O-N 2.91Å; L448-T452 PolarHBondContact O-OG1 3.4Å; L448-L700 HydrophobicContact CD1-CD1 4.39Å; L448-L700 HydrophobicContact CD1-CD2 4.4Å; L448-M709 HydrophobicContact CB-CB 4.45Å; L448-M709 WeakPolarHBondContact CB-O 3.41Å; L448-M709 PolarHBondContact N-O 3.19Å; L448-M709 VanDerWaalsContact N-O 3.16Å; L448-M710 HydrophobicContact CD2-SD 3.8Å
449R93.8Very high92.1Very high86 Ų8648.4 Ų48.433%0.32523%0.233SC..Hα-helixtrans-59-52.6178.6175.5-176.7167.9-158.5-5.4111.4T439 M442 Y445 P446 R447 E451 T452 E453T439-R449 WeakPolarHBondContact O-CD 3.29Å; T439-R449 WeakPolarHBondContact O-CG 3.1Å; M442-R449 HydrophobicContact CB-CB 3.96Å; M442-R449 HydrophobicContact CB-CG 4.45Å; Y445-R449 PolarHBondContact O-N 3.12Å; P446-R449 WeakPolarHBondContact O-CB 3.47Å; P446-R449 PolarHBondContact O-N 3.27Å; R447-R449 VanDerWaalsContact C-N 3.29Å; R447-R449 PolarHBondContact O-N 3.47Å; R449-E451 PolarHBondContact O-N 2.65Å; R449-T452 PolarHBondContact O-N 2.92Å; R449-E453 WeakPolarHBondContact O-CB 3.45Å; R449-E453 PolarHBondContact O-N 2.82Å
450E92.9Very high92.3Very high131 Ų13148.6 Ų48.661%0.61223%0.234SC*.Hα-helixtrans-58.9-46.5-179.7-75.4174.4-174.100111.6P446 R447 E453 R454P446-E450 WeakPolarHBondContact O-CG 3.46Å; P446-E450 PolarHBondContact O-N 2.9Å; R447-E450 PolarHBondContact O-N 3Å; E450-E453 PolarHBondContact O-N 3.23Å; E450-R454 VanDerWaalsContact O-CB 3.23Å; E450-R454 WeakPolarHBondContact O-CB 3.19Å; E450-R454 PolarHBondContact O-N 2.97Å
451E93.1Very high92.7Very high39 Ų3954.7 Ų54.718%0.18225%0.248CC..Hα-helixtrans-68.4-39.6-178.2-171.962.8-177.600111.9R447 R449 R454 I455 L700 M709R447-E451 WeakPolarHBondContact O-CB 3.46Å; R447-E451 PolarHBondContact O-N 2.82Å; R449-E451 PolarHBondContact O-N 2.65Å; E451-R454 PolarHBondContact O-N 2.84Å; E451-R454 IonicContact OE1-CZ 2.77Å; E451-R454 IonicContact OE1-NE 3.84Å; E451-R454 IonicContact OE1-NH2 2.92Å; E451-R454 PolarHBondContact OE1-NH2 2.8Å; E451-R454 IonicContact OE2-CZ 2.73Å; E451-R454 IonicContact OE2-NE 3.69Å; E451-R454 PolarHBondContact OE2-NE 2.95Å; E451-R454 IonicContact OE2-NH2 3.67Å; E451-R454 PolarHBondContact OE2-NH2 3.41Å; E451-I455 HydrophobicContact CG-CD1 3.98Å; E451-I455 WeakPolarHBondContact O-CB 3.16Å; E451-I455 WeakPolarHBondContact O-CD1 3.19Å; E451-I455 VanDerWaalsContact O-CG1 3.25Å; E451-I455 WeakPolarHBondContact O-CG1 3.36Å; E451-I455 PolarHBondContact O-N 3.05Å; E451-L700 HydrophobicContact CB-CD2 4.28Å; E451-L700 HydrophobicContact CG-CD2 3.85Å; E451-M709 HydrophobicContact CB-SD 4.12Å; E451-M709 HydrophobicContact CG-SD 3.9Å
452T94.6Very high93.2Very high0 Ų054.9 Ų54.90%025%0.251CS..Hα-helixtrans-62.9-48.2174.6-59.20000111.3L331 T439 M442 L448 R449 R454 I455 I456 L696L331-T452 HydrophobicContact CD2-CG2 3.58Å; T439-T452 HydrophobicContact CG2-CG2 4.07Å; M442-T452 HydrophobicContact SD-CG2 4.23Å; L448-T452 WeakPolarHBondContact O-CB 3.41Å; L448-T452 PolarHBondContact O-N 2.91Å; L448-T452 PolarHBondContact O-OG1 3.4Å; R449-T452 PolarHBondContact O-N 2.92Å; T452-R454 VanDerWaalsContact C-N 3.32Å; T452-R454 PolarHBondContact O-N 3.02Å; T452-I455 PolarHBondContact O-N 3.13Å; T452-I456 HydrophobicContact CG2-CD1 3.83Å; T452-I456 VanDerWaalsContact O-CG1 3.31Å; T452-I456 WeakPolarHBondContact O-CG1 3.41Å; T452-I456 PolarHBondContact O-N 3.27Å; T452-I456 VanDerWaalsContact O-N 3.11Å; T452-L696 HydrophobicContact CG2-CD1 4.4Å; T452-L696 HydrophobicContact CG2-CD2 4.15Å
453E95.4Very high93.7Very high44 Ų4457.3 Ų57.321%0.20626%0.26CS..Hα-helixtrans-60.4-43.1177-175.6177.915800111.1V435 R436 T439 R449 E450 T457V435-E453 HydrophobicContact CG1-CG 4.4Å; R436-E453 WeakPolarHBondContact CD-OE1 3.45Å; R436-E453 HydrophobicContact CG-CG 4.42Å; R436-E453 WeakPolarHBondContact CG-OE1 3.5Å; T439-E453 HydrophobicContact CG2-CB 4.37Å; R449-E453 WeakPolarHBondContact O-CB 3.45Å; R449-E453 PolarHBondContact O-N 2.82Å; E450-E453 PolarHBondContact O-N 3.23Å; E453-T457 WeakPolarHBondContact O-CB 3.48Å; E453-T457 PolarHBondContact O-N 3.48Å; E453-T457 PolarHBondContact O-OG1 3.03Å
454R95.2Very high94.2Very high132 Ų13255.9 Ų55.950%0.49825%0.246SC..Hα-helixtrans-61.9-48.5178.9-171.9-170.972.176-1.7111.8E450 E451 T452 T458E450-R454 VanDerWaalsContact O-CB 3.23Å; E450-R454 WeakPolarHBondContact O-CB 3.19Å; E450-R454 PolarHBondContact O-N 2.97Å; E451-R454 PolarHBondContact O-N 2.84Å; E451-R454 IonicContact OE1-CZ 2.77Å; E451-R454 IonicContact OE1-NE 3.84Å; E451-R454 IonicContact OE1-NH2 2.92Å; E451-R454 PolarHBondContact OE1-NH2 2.8Å; E451-R454 IonicContact OE2-CZ 2.73Å; E451-R454 IonicContact OE2-NE 3.69Å; E451-R454 PolarHBondContact OE2-NE 2.95Å; E451-R454 IonicContact OE2-NH2 3.67Å; E451-R454 PolarHBondContact OE2-NH2 3.41Å; T452-R454 VanDerWaalsContact C-N 3.32Å; T452-R454 PolarHBondContact O-N 3.02Å; R454-T458 VanDerWaalsContact O-CB 3.3Å; R454-T458 WeakPolarHBondContact O-CB 3.35Å; R454-T458 PolarHBondContact O-N 3.14Å; R454-T458 PolarHBondContact O-OG1 2.88Å
455I95.9Very high94.8Very high17 Ų1758.5 Ų58.59%0.08726%0.261CS..Hα-helixtrans-62.2-50.3-178.9-70.7165.2000110.4E451 T452 T458 H459 F691 L696 H699 L700E451-I455 HydrophobicContact CG-CD1 3.98Å; E451-I455 WeakPolarHBondContact O-CB 3.16Å; E451-I455 WeakPolarHBondContact O-CD1 3.19Å; E451-I455 VanDerWaalsContact O-CG1 3.25Å; E451-I455 WeakPolarHBondContact O-CG1 3.36Å; E451-I455 PolarHBondContact O-N 3.05Å; T452-I455 PolarHBondContact O-N 3.13Å; I455-T458 PolarHBondContact O-N 3.47Å; I455-H459 PolarHBondContact O-N 3.37Å; I455-F691 HydrophobicContact CG2-CE1 3.83Å; I455-F691 HydrophobicContact CG2-CZ 3.62Å; I455-L696 HydrophobicContact CB-CD1 4.22Å; I455-L696 HydrophobicContact CG2-CD1 3.77Å; I455-H699 HydrophobicContact CD1-CB 4.17Å; I455-H699 HydrophobicContact CG2-CB 4.11Å; I455-L700 HydrophobicContact CD1-CD2 3.62Å; I455-L700 HydrophobicContact CD1-CG 4Å
456I96.9Very high95.1Very high2 Ų259.9 Ų59.91%0.0127%0.271CS..Hα-helixtrans-64.1-45.3-179.3-61.5168.8000110.8L331 V435 T452 T458 H459 V460 I692 L696L331-I456 HydrophobicContact CD2-CD1 3.77Å; V435-I456 HydrophobicContact CB-CG2 4.44Å; V435-I456 HydrophobicContact CG1-CB 4.09Å; V435-I456 HydrophobicContact CG1-CD1 4.31Å; V435-I456 HydrophobicContact CG1-CG2 3.9Å; V435-I456 HydrophobicContact CG2-CG2 3.6Å; T452-I456 HydrophobicContact CG2-CD1 3.83Å; T452-I456 VanDerWaalsContact O-CG1 3.31Å; T452-I456 WeakPolarHBondContact O-CG1 3.41Å; T452-I456 PolarHBondContact O-N 3.27Å; T452-I456 VanDerWaalsContact O-N 3.11Å; I456-T458 VanDerWaalsContact C-N 3.3Å; I456-T458 PolarHBondContact O-N 2.89Å; I456-H459 WeakPolarHBondContact O-CB 3.31Å; I456-H459 PolarHBondContact O-N 3.49Å; I456-V460 HydrophobicContact CG2-CG2 4.39Å; I456-V460 WeakPolarHBondContact O-CG2 3.5Å; I456-V460 PolarHBondContact O-N 2.76Å; I456-I692 HydrophobicContact CD1-CD1 4.23Å; I456-I692 HydrophobicContact CD1-CG1 4.02Å; I456-I692 HydrophobicContact CG1-CG1 4.07Å; I456-I692 HydrophobicContact CG2-CD1 3.96Å; I456-I692 HydrophobicContact CG2-CG1 4.25Å; I456-L696 HydrophobicContact CD1-CD1 4.34Å; I456-L696 HydrophobicContact CD1-CD2 3.86Å; I456-L696 HydrophobicContact CG1-CD1 3.87Å; I456-L696 HydrophobicContact CG1-CD2 4.18Å
457T96.2Very high95.5Very high29 Ų2957.6 Ų57.618%0.17826%0.256CS..Hα-helixtrans-63-38.3179.4-57.80000111.7E453 V460 R461E453-T457 WeakPolarHBondContact O-CB 3.48Å; E453-T457 PolarHBondContact O-N 3.48Å; E453-T457 PolarHBondContact O-OG1 3.03Å; T457-V460 PolarHBondContact O-N 3.45Å; T457-R461 WeakPolarHBondContact O-CG 3.27Å; T457-R461 PolarHBondContact O-N 3.27Å
458T96.6Very high95.8Very high59 Ų5954.7 Ų54.736%0.36225%0.246SC..Hα-helixtrans-63.9-45.1175.9-57.60000111R454 I455 I456 R461 Q462R454-T458 VanDerWaalsContact O-CB 3.3Å; R454-T458 WeakPolarHBondContact O-CB 3.35Å; R454-T458 PolarHBondContact O-N 3.14Å; R454-T458 PolarHBondContact O-OG1 2.88Å; I455-T458 PolarHBondContact O-N 3.47Å; I456-T458 VanDerWaalsContact C-N 3.3Å; I456-T458 PolarHBondContact O-N 2.89Å; T458-R461 PolarHBondContact O-N 2.91Å; T458-Q462 WeakPolarHBondContact O-CG 3.2Å; T458-Q462 PolarHBondContact O-N 3.19Å; T458-Q462 VanDerWaalsContact O-N 3.08Å
459H97.1Very high96.1Very high26 Ų2659.7 Ų59.712%0.1227%0.269CS..Hα-helixtrans-59.5-49175.8-175.471.6000111.6I455 I456 R461 Q462 R463 N687 F691I455-H459 PolarHBondContact O-N 3.37Å; I456-H459 WeakPolarHBondContact O-CB 3.31Å; I456-H459 PolarHBondContact O-N 3.49Å; H459-R461 VanDerWaalsContact C-N 3.31Å; H459-R461 PolarHBondContact O-N 3.42Å; H459-Q462 WeakPolarHBondContact O-CB 3.43Å; H459-Q462 PolarHBondContact O-N 3.28Å; H459-Q462 VanDerWaalsContact O-N 3.11Å; H459-R463 WeakPolarHBondContact O-CG 3.36Å; H459-R463 PolarHBondContact O-N 2.85Å; H459-N687 PolarHBondContact CE1-OD1 3.05Å; H459-N687 PolarHBondContact NE2-OD1 3.4Å; H459-F691 HydrophobicContact CB-CD1 4.02Å; H459-F691 HydrophobicContact CB-CE1 3.86Å; H459-F691 HydrophobicContact CB-CG 4.42Å; H459-F691 HydrophobicContact CB-CZ 4.14Å; H459-F691 AromaticContact CD2-CD1 3.74Å; H459-F691 AromaticContact CD2-CG 3.58Å; H459-F691 AromaticContact CE1-CD2 3.7Å; H459-F691 AromaticContact CE1-CG 3.82Å; H459-F691 AromaticContact CG-CD1 3.77Å; H459-F691 AromaticContact CG-CD2 3.94Å; H459-F691 AromaticContact CG-CG 3.72Å; H459-F691 AromaticContact ND1-CD2 3.68Å; H459-F691 AromaticContact ND1-CE2 3.95Å; H459-F691 AromaticContact ND1-CG 3.91Å; H459-F691 WeakPolarHBondContact NE2-CB 3.27Å; H459-F691 AromaticContact NE2-CG 3.64Å
460V97.3Very high96.2Very high3 Ų359.8 Ų59.82%0.01827%0.274CS..Hα-helixtrans-57.8-42.1178.4170.30000111.7V428 L431 I456 T457 R463 E464 A688V428-V460 HydrophobicContact CG1-CG1 3.89Å; V428-V460 HydrophobicContact CG2-CG1 4.39Å; L431-V460 HydrophobicContact CD2-CG1 3.94Å; L431-V460 HydrophobicContact CD2-CG2 3.83Å; L431-V460 HydrophobicContact CG-CG2 4.49Å; I456-V460 HydrophobicContact CG2-CG2 4.39Å; I456-V460 WeakPolarHBondContact O-CG2 3.5Å; I456-V460 PolarHBondContact O-N 2.76Å; T457-V460 PolarHBondContact O-N 3.45Å; V460-R463 PolarHBondContact O-N 3.48Å; V460-E464 WeakPolarHBondContact O-CB 3.5Å; V460-E464 PolarHBondContact O-N 2.98Å; V460-A688 HydrophobicContact CG2-CB 4.14Å
461R96.7Very high96.4Very high170 Ų17053.5 Ų53.564%0.64224%0.244SC*.Hα-helixtrans-65.6-36.5176.4-74.6-177.6-179.3-171.11.1113.4T457 T458 H459 R463 E464 H465T457-R461 WeakPolarHBondContact O-CG 3.27Å; T457-R461 PolarHBondContact O-N 3.27Å; T458-R461 PolarHBondContact O-N 2.91Å; H459-R461 VanDerWaalsContact C-N 3.31Å; H459-R461 PolarHBondContact O-N 3.42Å; R461-R463 VanDerWaalsContact C-N 3.34Å; R461-E464 WeakPolarHBondContact O-CB 3.32Å; R461-E464 PolarHBondContact O-N 3.45Å; R461-H465 PolarHBondContact O-N 3.44Å
462Q96.4Very high96.6Very high125 Ų12554.1 Ų54.158%0.58425%0.249SC*.Hα-helixtrans-65.3-41.9173.8-70.3173.9-3.100111T458 H459 H465 S466T458-Q462 WeakPolarHBondContact O-CG 3.2Å; T458-Q462 PolarHBondContact O-N 3.19Å; T458-Q462 VanDerWaalsContact O-N 3.08Å; H459-Q462 WeakPolarHBondContact O-CB 3.43Å; H459-Q462 PolarHBondContact O-N 3.28Å; H459-Q462 VanDerWaalsContact O-N 3.11Å; Q462-H465 PolarHBondContact O-N 3.26Å; Q462-S466 PolarHBondContact O-N 2.91Å
463R97.4Very high96.7Very high54 Ų5457.3 Ų57.320%0.20427%0.265CS..Hα-helixtrans-67.3-35.2176.4-63.9-48.9-57.4170.11.4112.9H459 V460 R461 S466 C467 L683 I684 N687H459-R463 WeakPolarHBondContact O-CG 3.36Å; H459-R463 PolarHBondContact O-N 2.85Å; V460-R463 PolarHBondContact O-N 3.48Å; R461-R463 VanDerWaalsContact C-N 3.34Å; R463-S466 PolarHBondContact O-N 3.45Å; R463-C467 WeakPolarHBondContact O-CB 3.21Å; R463-C467 PolarHBondContact O-N 2.85Å; R463-L683 PolarHBondContact NE-O 3.32Å; R463-L683 PolarHBondContact NH2-O 3.49Å; R463-I684 HydrophobicContact CB-CG1 4.29Å; R463-N687 WeakPolarHBondContact CD-OD1 3.11Å; R463-N687 WeakPolarHBondContact CG-OD1 3.43Å; R463-N687 PolarHBondContact NE-OD1 3.25Å
464E97.3Very high96.7Very high38 Ų3857.8 Ų57.818%0.17827%0.269CS..Hα-helixtrans-55.6-52.2172.7177.6-168.3163.200111.3V424 V428 V460 R461 S466 C467 K468V424-E464 HydrophobicContact CG1-CG 4.11Å; V428-E464 HydrophobicContact CG2-CB 3.91Å; V428-E464 HydrophobicContact CG2-CG 3.89Å; V460-E464 WeakPolarHBondContact O-CB 3.5Å; V460-E464 PolarHBondContact O-N 2.98Å; R461-E464 WeakPolarHBondContact O-CB 3.32Å; R461-E464 PolarHBondContact O-N 3.45Å; E464-S466 PolarHBondContact O-N 3.37Å; E464-C467 PolarHBondContact O-N 2.99Å; E464-K468 HydrophobicContact CG-CD 4.25Å; E464-K468 WeakPolarHBondContact O-CG 3.48Å; E464-K468 PolarHBondContact O-N 3.42Å; E464-K468 WeakPolarHBondContact OE1-CE 3.23Å; E464-K468 IonicContact OE1-NZ 3.14Å; E464-K468 PolarHBondContact OE1-NZ 3.43Å
465H96.5Very high96.7Very high118 Ų11851.6 Ų51.655%0.54625%0.246SC..Hα-helixtrans-59.7-49.3-178.9-173.960.5000111.7R461 Q462 C467 K468 E469R461-H465 PolarHBondContact O-N 3.44Å; Q462-H465 PolarHBondContact O-N 3.26Å; H465-C467 VanDerWaalsContact C-N 3.32Å; H465-C467 PolarHBondContact O-N 2.97Å; H465-K468 PolarHBondContact O-N 3.23Å; H465-E469 IonicContact NE2-OE1 2.83Å; H465-E469 PolarHBondContact O-N 3.34Å; H465-E469 VanDerWaalsContact O-N 3.13Å
466S96Very high96.8Very high34 Ų3453.8 Ų53.824%0.23826%0.257CS..Hα-helixtrans-60.9-39.2177.1-177.50000112.4Q462 R463 E464 E469 Q470Q462-S466 PolarHBondContact O-N 2.91Å; R463-S466 PolarHBondContact O-N 3.45Å; E464-S466 PolarHBondContact O-N 3.37Å; S466-E469 PolarHBondContact O-N 3.48Å; S466-Q470 VanDerWaalsContact O-CG 3.31Å; S466-Q470 WeakPolarHBondContact O-CG 3.44Å; S466-Q470 PolarHBondContact O-N 3.17Å; S466-Q470 VanDerWaalsContact O-N 3.12Å
467C97.8Very high96.7Very high0 Ų059.7 Ų59.70%028%0.284CS..Hα-helixtrans-67-40.4178-175.20000112.3R463 E464 H465 Q470 I471 L683 I684R463-C467 WeakPolarHBondContact O-CB 3.21Å; R463-C467 PolarHBondContact O-N 2.85Å; E464-C467 PolarHBondContact O-N 2.99Å; H465-C467 VanDerWaalsContact C-N 3.32Å; H465-C467 PolarHBondContact O-N 2.97Å; C467-Q470 PolarHBondContact O-N 2.65Å; C467-I471 WeakPolarHBondContact O-CB 3.46Å; C467-I471 WeakPolarHBondContact O-CG1 3.39Å; C467-I471 PolarHBondContact O-N 3.02Å; C467-I471 VanDerWaalsContact SG-CD1 3.6Å; C467-L683 HydrophobicContact CB-CB 4.1Å; C467-L683 HydrophobicContact CB-CD1 4.27Å; C467-I684 HydrophobicContact CB-CD1 3.67Å; C467-I684 HydrophobicContact CB-CG1 3.75Å
468K98Very high96.7Very high42 Ų4260.4 Ų60.418%0.18329%0.285CS..Hα-helixtrans-59.6-46.6175-73.6177.6173.41740111.4I421 V424 D425 E464 H465 Q470 I471 L472I421-K468 HydrophobicContact CD1-CB 3.62Å; I421-K468 HydrophobicContact CD1-CD 4.1Å; I421-K468 HydrophobicContact CD1-CG 3.59Å; I421-K468 HydrophobicContact CG2-CD 4.39Å; V424-K468 HydrophobicContact CB-CG 4.33Å; V424-K468 HydrophobicContact CG1-CG 4.03Å; V424-K468 HydrophobicContact CG2-CG 4.48Å; D425-K468 WeakPolarHBondContact OD1-CE 3.31Å; D425-K468 IonicContact OD1-NZ 3.52Å; D425-K468 PolarHBondContact OD1-NZ 3.42Å; E464-K468 HydrophobicContact CG-CD 4.25Å; E464-K468 WeakPolarHBondContact O-CG 3.48Å; E464-K468 PolarHBondContact O-N 3.42Å; E464-K468 WeakPolarHBondContact OE1-CE 3.23Å; E464-K468 IonicContact OE1-NZ 3.14Å; E464-K468 PolarHBondContact OE1-NZ 3.43Å; H465-K468 PolarHBondContact O-N 3.23Å; K468-Q470 PolarHBondContact O-N 3.35Å; K468-I471 PolarHBondContact O-N 3.38Å; K468-L472 WeakPolarHBondContact O-CB 3.21Å; K468-L472 VanDerWaalsContact O-CG 3.27Å; K468-L472 WeakPolarHBondContact O-CG 3.26Å; K468-L472 PolarHBondContact O-N 2.87Å
469E97.1Very high96.6Very high104 Ų10459 Ų5949%0.48628%0.275SS..Hα-helixtrans-58.8-45.9176.2-68.5-178.2147.600112.1H465 S466 I471 L472 L473H465-E469 IonicContact NE2-OE1 2.83Å; H465-E469 PolarHBondContact O-N 3.34Å; H465-E469 VanDerWaalsContact O-N 3.13Å; S466-E469 PolarHBondContact O-N 3.48Å; E469-I471 PolarHBondContact O-N 3.17Å; E469-L472 PolarHBondContact O-N 3.1Å; E469-L473 WeakPolarHBondContact O-CB 3.2Å; E469-L473 PolarHBondContact O-N 3.45Å
470Q96.8Very high96.5Very high88 Ų8861.5 Ų61.541%0.41130%0.3SS..Hα-helixtrans-65.4-39.7179.4-67.3-59.6-44.800112.7S466 C467 K468 L473 L474 L683S466-Q470 VanDerWaalsContact O-CG 3.31Å; S466-Q470 WeakPolarHBondContact O-CG 3.44Å; S466-Q470 PolarHBondContact O-N 3.17Å; S466-Q470 VanDerWaalsContact O-N 3.12Å; C467-Q470 PolarHBondContact O-N 2.65Å; K468-Q470 PolarHBondContact O-N 3.35Å; Q470-L473 WeakPolarHBondContact O-CB 3.31Å; Q470-L473 PolarHBondContact O-N 3.47Å; Q470-L474 WeakPolarHBondContact O-CG 3.3Å; Q470-L474 PolarHBondContact O-N 3.44Å; Q470-L683 HydrophobicContact CB-CD1 3.83Å; Q470-L683 HydrophobicContact CG-CD1 3.91Å
471I96.9Very high96.3Very high0 Ų068.6 Ų68.60%033%0.327CS..Hα-helixtrans-69.3-39.5177.5-73.5168.1000111.2V420 V424 C467 K468 E469 L473 L474 I475 V676 A679 I680V420-I471 HydrophobicContact CB-CG2 3.73Å; V420-I471 HydrophobicContact CG2-CG2 3.44Å; V420-I471 VanDerWaalsContact CG2-CG2 3.44Å; V424-I471 HydrophobicContact CG2-CD1 3.53Å; C467-I471 WeakPolarHBondContact O-CB 3.46Å; C467-I471 WeakPolarHBondContact O-CG1 3.39Å; C467-I471 PolarHBondContact O-N 3.02Å; C467-I471 VanDerWaalsContact SG-CD1 3.6Å; K468-I471 PolarHBondContact O-N 3.38Å; E469-I471 PolarHBondContact O-N 3.17Å; I471-L473 VanDerWaalsContact C-N 3.3Å; I471-L473 PolarHBondContact O-N 3.34Å; I471-L474 WeakPolarHBondContact O-CB 3.43Å; I471-L474 PolarHBondContact O-N 2.96Å; I471-I475 PolarHBondContact O-N 3.5Å; I471-V676 HydrophobicContact CD1-CG1 4.25Å; I471-V676 HydrophobicContact CG2-CG2 4.09Å; I471-A679 HydrophobicContact CD1-CB 4.23Å; I471-A679 HydrophobicContact CG1-CB 3.93Å; I471-I680 HydrophobicContact CD1-CD1 4.37Å; I471-I680 HydrophobicContact CD1-CG1 3.88Å
472L97.1Very high96Very high52 Ų5261.7 Ų61.727%0.27230%0.303SS..Hα-helixtrans-63.2-39.4174.4-70.5173.6000111.3K417 I421 K468 E469 L474 I475 D476K417-L472 HydrophobicContact CB-CD2 3.8Å; K417-L472 HydrophobicContact CD-CD2 4.01Å; K417-L472 HydrophobicContact CG-CD2 3.76Å; I421-L472 HydrophobicContact CD1-CD1 4.04Å; I421-L472 HydrophobicContact CD1-CD2 4.08Å; I421-L472 HydrophobicContact CD1-CG 3.91Å; I421-L472 HydrophobicContact CG1-CD2 4.03Å; I421-L472 HydrophobicContact CG1-CG 4.42Å; K468-L472 WeakPolarHBondContact O-CB 3.21Å; K468-L472 VanDerWaalsContact O-CG 3.27Å; K468-L472 WeakPolarHBondContact O-CG 3.26Å; K468-L472 PolarHBondContact O-N 2.87Å; E469-L472 PolarHBondContact O-N 3.1Å; L472-L474 VanDerWaalsContact C-N 3.3Å; L472-L474 PolarHBondContact O-N 3.34Å; L472-I475 PolarHBondContact O-N 3.48Å; L472-I475 VanDerWaalsContact O-N 3.1Å; L472-D476 PolarHBondContact O-N 3.06Å
473L96.4Very high95.8Very high67 Ų6758.7 Ų58.735%0.35129%0.291SS..Hα-helixtrans-61.1-37.3173.7-178.562.7000112.3E469 Q470 I471 I475 D476 F477E469-L473 WeakPolarHBondContact O-CB 3.2Å; E469-L473 PolarHBondContact O-N 3.45Å; Q470-L473 WeakPolarHBondContact O-CB 3.31Å; Q470-L473 PolarHBondContact O-N 3.47Å; I471-L473 VanDerWaalsContact C-N 3.3Å; I471-L473 PolarHBondContact O-N 3.34Å; L473-I475 VanDerWaalsContact C-N 3.31Å; L473-I475 PolarHBondContact O-N 3.38Å; L473-D476 PolarHBondContact O-N 3.12Å; L473-F477 HydrophobicContact CD1-CE1 4.09Å; L473-F477 HydrophobicContact CD1-CE2 4.42Å; L473-F477 HydrophobicContact CD1-CZ 3.95Å; L473-F477 HydrophobicContact CD2-CE2 4.21Å; L473-F477 HydrophobicContact CD2-CZ 3.99Å; L473-F477 HydrophobicContact CG-CD2 4.44Å; L473-F477 HydrophobicContact CG-CE1 4.35Å; L473-F477 HydrophobicContact CG-CE2 3.81Å; L473-F477 HydrophobicContact CG-CZ 3.75Å; L473-F477 WeakPolarHBondContact O-CD2 3.3Å; L473-F477 WeakPolarHBondContact O-CG 3.19Å; L473-F477 PolarHBondContact O-N 3.11Å
474L95.4Very high95.4Very high53 Ų5358.8 Ų58.828%0.27730%0.298SS..Hα-helixtrans-60.7-41173.2-69.2173.3000111.9Q470 I471 L472 D476 F477 E478 M675Q470-L474 WeakPolarHBondContact O-CG 3.3Å; Q470-L474 PolarHBondContact O-N 3.44Å; I471-L474 WeakPolarHBondContact O-CB 3.43Å; I471-L474 PolarHBondContact O-N 2.96Å; L472-L474 VanDerWaalsContact C-N 3.3Å; L472-L474 PolarHBondContact O-N 3.34Å; L474-D476 VanDerWaalsContact C-N 3.34Å; L474-F477 HydrophobicContact CD2-CD2 4.31Å; L474-F477 PolarHBondContact O-N 3.47Å; L474-E478 PolarHBondContact O-N 3.35Å; L474-M675 HydrophobicContact CD1-CB 4.31Å
475I96Very high95.1Very high3 Ų363.3 Ų63.32%0.01532%0.323CS..Hα-helixtrans-68.5-36.6174.9-56-57.5000110.9I413 L416 K417 V420 I471 L472 L473 F477 E478 L479 T672I413-I475 HydrophobicContact CG2-CG2 3.91Å; L416-I475 HydrophobicContact CB-CD1 4.18Å; K417-I475 HydrophobicContact CG-CB 4.29Å; K417-I475 HydrophobicContact CG-CG2 3.84Å; V420-I475 HydrophobicContact CG2-CG1 4.44Å; I471-I475 PolarHBondContact O-N 3.5Å; L472-I475 PolarHBondContact O-N 3.48Å; L472-I475 VanDerWaalsContact O-N 3.1Å; L473-I475 VanDerWaalsContact C-N 3.31Å; L473-I475 PolarHBondContact O-N 3.38Å; I475-F477 VanDerWaalsContact C-N 3.3Å; I475-F477 PolarHBondContact O-N 3.43Å; I475-E478 WeakPolarHBondContact O-CB 3.44Å; I475-E478 PolarHBondContact O-N 3.28Å; I475-L479 HydrophobicContact CG2-CD1 4.44Å; I475-L479 WeakPolarHBondContact O-CG 3.37Å; I475-L479 PolarHBondContact O-N 3.33Å; I475-T672 HydrophobicContact CD1-CG2 4.21Å
476D96.4Very high94.9Very high62 Ų6260.8 Ų60.833%0.33231%0.311SS..Hα-helixtrans-65.9-31.5176-67.7-28.4000112.3K417 L472 L473 L474 L479 A480K417-D476 VanDerWaalsContact CE-OD1 3.27Å; K417-D476 WeakPolarHBondContact CE-OD1 3.36Å; K417-D476 IonicContact NZ-OD1 2.61Å; K417-D476 PolarHBondContact NZ-OD1 2.79Å; K417-D476 IonicContact NZ-OD2 3.26Å; L472-D476 PolarHBondContact O-N 3.06Å; L473-D476 PolarHBondContact O-N 3.12Å; L474-D476 VanDerWaalsContact C-N 3.34Å; D476-L479 PolarHBondContact O-N 2.91Å; D476-A480 WeakPolarHBondContact O-CB 3.21Å; D476-A480 PolarHBondContact O-N 3.14Å
477F96.1Very high94.6Very high127 Ų12768.2 Ų68.256%0.55734%0.342SS*.Hα-helixtrans-64-43.2170-67.6-41000112.4L473 L474 I475 L479 A480 Y481L473-F477 HydrophobicContact CD1-CE1 4.09Å; L473-F477 HydrophobicContact CD1-CE2 4.42Å; L473-F477 HydrophobicContact CD1-CZ 3.95Å; L473-F477 HydrophobicContact CD2-CE2 4.21Å; L473-F477 HydrophobicContact CD2-CZ 3.99Å; L473-F477 HydrophobicContact CG-CD2 4.44Å; L473-F477 HydrophobicContact CG-CE1 4.35Å; L473-F477 HydrophobicContact CG-CE2 3.81Å; L473-F477 HydrophobicContact CG-CZ 3.75Å; L473-F477 WeakPolarHBondContact O-CD2 3.3Å; L473-F477 WeakPolarHBondContact O-CG 3.19Å; L473-F477 PolarHBondContact O-N 3.11Å; L474-F477 HydrophobicContact CD2-CD2 4.31Å; L474-F477 PolarHBondContact O-N 3.47Å; I475-F477 VanDerWaalsContact C-N 3.3Å; I475-F477 PolarHBondContact O-N 3.43Å; F477-L479 PolarHBondContact O-N 2.8Å; F477-A480 PolarHBondContact O-N 2.73Å; F477-Y481 PolarHBondContact O-N 2.83Å
478E95.1Very high94.1Very high44 Ų4472.6 Ų72.621%0.20637%0.365CS..Hα-helixtrans-63.8-30.4175.4-64.3-69.8171.300112I413 L474 I475 V668I413-E478 HydrophobicContact CD1-CB 4.4Å; I413-E478 HydrophobicContact CG2-CB 3.86Å; L474-E478 PolarHBondContact O-N 3.35Å; I475-E478 WeakPolarHBondContact O-CB 3.44Å; I475-E478 PolarHBondContact O-N 3.28Å; E478-V668 HydrophobicContact CB-CG1 4.34Å; E478-V668 HydrophobicContact CG-CG1 4.15Å
479L94.7Very high93.8Very high30 Ų3071.4 Ų71.416%0.15736%0.36CS..Hα-helixtrans-77.2-30.1173.7-71171.3000113.3K410 I413 A414 I475 D476 F477K410-L479 HydrophobicContact CB-CD2 4.06Å; K410-L479 WeakPolarHBondContact CE-O 3.43Å; K410-L479 HydrophobicContact CG-CD2 4.24Å; K410-L479 WeakPolarHBondContact O-CD2 3.48Å; I413-L479 HydrophobicContact CB-CD2 3.72Å; I413-L479 HydrophobicContact CB-CG 4.37Å; I413-L479 HydrophobicContact CG2-CD2 3.69Å; I413-L479 HydrophobicContact CG2-CG 3.77Å; A414-L479 HydrophobicContact CB-CD1 4.39Å; A414-L479 HydrophobicContact CB-CD2 4.41Å; I475-L479 HydrophobicContact CG2-CD1 4.44Å; I475-L479 WeakPolarHBondContact O-CG 3.37Å; I475-L479 PolarHBondContact O-N 3.33Å; D476-L479 PolarHBondContact O-N 2.91Å; F477-L479 PolarHBondContact O-N 2.8Å
480A94.8Very high93.1Very high78 Ų7868.6 Ų68.665%0.64535%0.348SS*.Hα-helixtrans-71.9-35-174.900000112.5D476 F477D476-A480 WeakPolarHBondContact O-CB 3.21Å; D476-A480 PolarHBondContact O-N 3.14Å; F477-A480 PolarHBondContact O-N 2.73Å
481Y93.2Very high92.1Very high151 Ų15165.4 Ų65.459%0.59234%0.339SS*.  trans-145.8127.7-177-179.9-108.5000112.4F477 N483F477-Y481 PolarHBondContact O-N 2.83Å; Y481-N483 HydrophobicContact CD1-CB 4.28Å; Y481-N483 HydrophobicContact CE1-CB 3.78Å
482M90.9Very high90.9Very high26 Ų2668.8 Ų68.813%0.12835%0.354CS..  trans-98.9111.6174.1-62.1177.9-59.200111F405 E406 V409 T484 Y664F405-M482 HydrophobicContact CE1-CE 4.5Å; F405-M482 HydrophobicContact CE1-SD 4.2Å; E406-M482 HydrophobicContact CB-CE 3.42Å; E406-M482 VanDerWaalsContact CB-CE 3.42Å; E406-M482 HydrophobicContact CB-SD 4.31Å; E406-M482 HydrophobicContact CG-CE 3.25Å; E406-M482 HydrophobicContact CG-SD 4.15Å; V409-M482 HydrophobicContact CB-SD 3.99Å; V409-M482 HydrophobicContact CG1-CG 4.4Å; V409-M482 HydrophobicContact CG1-SD 3.8Å; M482-T484 PolarHBondContact O-N 3.4Å; M482-T484 VanDerWaalsContact O-N 3.12Å; M482-Y664 VanDerWaalsContact CA-OH 3.25Å; M482-Y664 WeakPolarHBondContact CA-OH 3.43Å; M482-Y664 HydrophobicContact CB-CE1 4.43Å; M482-Y664 HydrophobicContact CB-CE2 4.39Å; M482-Y664 HydrophobicContact CG-CE1 4.27Å
483N91.6Very high89.3Confident61 Ų6169.4 Ų69.433%0.32637%0.366SS..  trans-84.187.9-179.3-175.35.7000111.6Y481 N485 H486 Y664Y481-N483 HydrophobicContact CD1-CB 4.28Å; Y481-N483 HydrophobicContact CE1-CB 3.78Å; N483-N485 PolarHBondContact O-N 3.33Å; N483-N485 WeakPolarHBondContact OD1-CA 3.2Å; N483-N485 WeakPolarHBondContact OD1-CB 2.97Å; N483-N485 PolarHBondContact OD1-N 2.91Å; N483-H486 WeakPolarHBondContact O-CB 3.32Å; N483-H486 PolarHBondContact O-N 3.23Å; N483-Y664 PolarHBondContact N-OH 3.37Å; N483-Y664 VanDerWaalsContact N-OH 3.09Å
484T89.9Confident87.9Confident57 Ų5770.7 Ų70.735%0.3537%0.374SS..THydrogen-bonded Turntrans-72.8-3175.859.10000113.9F405 M482 F489F405-T484 HydrophobicContact CE1-CG2 4.25Å; M482-T484 PolarHBondContact O-N 3.4Å; M482-T484 VanDerWaalsContact O-N 3.12Å; T484-F489 HydrophobicContact CG2-CE1 4.09Å; T484-F489 VanDerWaalsContact O-CD1 3.28Å; T484-F489 WeakPolarHBondContact O-CD1 3.42Å
485N90.6Very high86.4Confident133 Ų13368.2 Ų68.271%0.71136%0.361SS*.THydrogen-bonded Turntrans-934.5173.7-64.1-30.8000112.7N483N483-N485 PolarHBondContact O-N 3.33Å; N483-N485 WeakPolarHBondContact OD1-CA 3.2Å; N483-N485 WeakPolarHBondContact OD1-CB 2.97Å; N483-N485 PolarHBondContact OD1-N 2.91Å
486H91.7Very high84.7Confident65 Ų6572.4 Ų72.430%0.30138%0.38SS..  trans-61.3135.6178.7-171.8-72.5000111.4N483 D488 F489 I667N483-H486 WeakPolarHBondContact O-CB 3.32Å; N483-H486 PolarHBondContact O-N 3.23Å; H486-D488 VanDerWaalsContact C-N 3.33Å; H486-D488 IonicContact CE1-OD2 3.8Å; H486-D488 PolarHBondContact ND1-N 3.08Å; H486-D488 PolarHBondContact O-N 3.44Å; H486-F489 HydrophobicContact CB-CB 4.24Å; H486-F489 VanDerWaalsContact O-CB 3.26Å; H486-F489 WeakPolarHBondContact O-CB 3.21Å; H486-F489 PolarHBondContact O-N 3.36Å; H486-I667 HydrophobicContact CB-CD1 4.23Å; H486-I667 WeakPolarHBondContact NE2-CG2 3.2Å
487E89.7Confident82.9Confident190 Ų19073.2 Ų73.289%0.88839%0.385SS*.THydrogen-bonded Turntrans-58.8-40.2-173.8-62.8-178.9174.500113.4F489E487-F489 PolarHBondContact O-N 2.89Å
488D87.8Confident81.1Confident91 Ų9173.4 Ų73.449%0.48739%0.385SS..THydrogen-bonded Turntrans-75.1-3176.7-66.7-21.8000113.8H486 I667 K670H486-D488 VanDerWaalsContact C-N 3.33Å; H486-D488 IonicContact CE1-OD2 3.8Å; H486-D488 PolarHBondContact ND1-N 3.08Å; H486-D488 PolarHBondContact O-N 3.44Å; D488-I667 HydrophobicContact CB-CD1 4.12Å; D488-I667 HydrophobicContact CB-CG1 3.99Å; D488-K670 IonicContact OD2-NZ 3.72Å; D488-K670 PolarHBondContact OD2-NZ 2.91Å
489F91.3Very high79.2Confident17 Ų1771.6 Ų71.68%0.07538%0.377CS..  trans-87.3123.4179.6-175.4-116.7000110.6F405 T484 H486 E487 G491 L660 Y664 I667F405-F489 HydrophobicContact CE2-CE2 4.37Å; F405-F489 HydrophobicContact CE2-CZ 4.36Å; F405-F489 HydrophobicContact CZ-CE2 4.08Å; F405-F489 AromaticContact CZ-CZ 3.92Å; F405-F489 HydrophobicContact CZ-CZ 3.92Å; T484-F489 HydrophobicContact CG2-CE1 4.09Å; T484-F489 VanDerWaalsContact O-CD1 3.28Å; T484-F489 WeakPolarHBondContact O-CD1 3.42Å; H486-F489 HydrophobicContact CB-CB 4.24Å; H486-F489 VanDerWaalsContact O-CB 3.26Å; H486-F489 WeakPolarHBondContact O-CB 3.21Å; H486-F489 PolarHBondContact O-N 3.36Å; E487-F489 PolarHBondContact O-N 2.89Å; F489-G491 PolarHBondContact O-N 3.39Å; F489-G491 VanDerWaalsContact O-N 3.11Å; F489-L660 HydrophobicContact CE1-CD2 4.3Å; F489-L660 HydrophobicContact CE2-CB 4.44Å; F489-L660 HydrophobicContact CE2-CD2 4.12Å; F489-L660 HydrophobicContact CZ-CB 4.34Å; F489-L660 HydrophobicContact CZ-CD2 3.62Å; F489-Y664 HydrophobicContact CD2-CD2 4.02Å; F489-Y664 HydrophobicContact CE2-CD2 4.13Å; F489-I667 HydrophobicContact CB-CD1 3.86Å
490I82Confident76.9Confident45 Ų4572.2 Ų72.223%0.23138%0.379CS..  trans-61.4-24.9-174.461.8177.2000114.1N494 A495 N659 L660 S663I490-N494 WeakPolarHBondContact O-CB 3.36Å; I490-N494 PolarHBondContact O-ND2 3.38Å; I490-A495 HydrophobicContact CD1-CB 3.88Å; I490-A495 HydrophobicContact CG1-CB 4.46Å; I490-N659 HydrophobicContact CD1-CB 4.33Å; I490-L660 HydrophobicContact CD1-CD2 4.42Å; I490-L660 HydrophobicContact CG1-CD2 4.16Å; I490-S663 PolarHBondContact N-OG 3.46Å
491G76.9Confident74.4Confident22 Ų2273.8 Ų73.823%0.22738%0.377CS..Hα-helixtrans74.9160.4-176.200000114.4F489 A493 N494 A495F489-G491 PolarHBondContact O-N 3.39Å; F489-G491 VanDerWaalsContact O-N 3.11Å; G491-A493 PolarHBondContact O-N 3.37Å; G491-N494 PolarHBondContact O-N 2.77Å; G491-A495 PolarHBondContact O-N 2.82Å
492F70.6Confident72Confident71 Ų7170 Ų7031%0.31138%0.377SS..Hα-helixtrans-61.4-40.1-176.3-76.4-90.8000113.2P401 F405 N494 A495 Q496 L660P401-F492 HydrophobicContact CB-CD1 4.13Å; P401-F492 HydrophobicContact CB-CE1 3.71Å; F405-F492 HydrophobicContact CD1-CZ 4.4Å; F492-N494 PolarHBondContact O-N 3.43Å; F492-A495 PolarHBondContact O-N 2.83Å; F492-Q496 VanDerWaalsContact O-CB 3.28Å; F492-Q496 WeakPolarHBondContact O-CB 3.36Å; F492-Q496 PolarHBondContact O-N 2.86Å; F492-L660 HydrophobicContact CD1-CD1 3.4Å; F492-L660 HydrophobicContact CE1-CD1 3.33Å; F492-L660 HydrophobicContact CG-CD1 4.1Å; F492-L660 HydrophobicContact CZ-CD1 3.99Å
493A63.9Low69.6Low64 Ų6474 Ų7453%0.52940%0.399SS..Hα-helixtrans-63.3-42-178.100000112.8G491 N497G491-A493 PolarHBondContact O-N 3.37Å; A493-N497 WeakPolarHBondContact O-CB 3.45Å; A493-N497 PolarHBondContact O-N 3.22Å; A493-N497 PolarHBondContact O-ND2 3.4Å
494N67.4Low67Low95 Ų9578.2 Ų78.251%0.50841%0.414SS..Hα-helixtrans-78-31.7179.8-64.1-38.5000112.5I490 G491 F492 K498I490-N494 WeakPolarHBondContact O-CB 3.36Å; I490-N494 PolarHBondContact O-ND2 3.38Å; G491-N494 PolarHBondContact O-N 2.77Å; F492-N494 PolarHBondContact O-N 3.43Å; N494-K498 WeakPolarHBondContact O-CG 3.2Å; N494-K498 PolarHBondContact O-N 2.99Å
495A64Low64.3Low0 Ų078.4 Ų78.40%042%0.415CS..Hα-helixtrans-65.6-41.417200000111.2I490 G491 F492 K498 S499 T656 N659 L660I490-A495 HydrophobicContact CD1-CB 3.88Å; I490-A495 HydrophobicContact CG1-CB 4.46Å; G491-A495 PolarHBondContact O-N 2.82Å; F492-A495 PolarHBondContact O-N 2.83Å; A495-K498 PolarHBondContact O-N 2.82Å; A495-S499 PolarHBondContact O-N 3.43Å; A495-S499 VanDerWaalsContact O-N 3.08Å; A495-T656 HydrophobicContact CB-CG2 4.04Å; A495-N659 HydrophobicContact CB-CB 4.43Å; A495-L660 HydrophobicContact CB-CD1 4.33Å; A495-L660 HydrophobicContact CB-CD2 3.53Å; A495-L660 HydrophobicContact CB-CG 3.67Å
496Q59.7Low61.9Low91 Ų9176.2 Ų76.243%0.42543%0.425SS..Hα-helixtrans-71.1-37.7177.3-161.3167.86.200111.7F492 K498 S499 E500 T656F492-Q496 VanDerWaalsContact O-CB 3.28Å; F492-Q496 WeakPolarHBondContact O-CB 3.36Å; F492-Q496 PolarHBondContact O-N 2.86Å; Q496-K498 VanDerWaalsContact C-N 3.35Å; Q496-K498 PolarHBondContact O-N 3.47Å; Q496-S499 WeakPolarHBondContact CA-OG 3.44Å; Q496-S499 CarbonylContact O-C 3.57Å; Q496-S499 WeakPolarHBondContact O-CA 3.3Å; Q496-S499 WeakPolarHBondContact O-CB 3.43Å; Q496-S499 PolarHBondContact O-N 3.18Å; Q496-S499 VanDerWaalsContact O-N 3.08Å; Q496-S499 PolarHBondContact O-OG 3.45Å; Q496-E500 WeakPolarHBondContact O-CG 3.45Å; Q496-E500 PolarHBondContact O-N 2.85Å; Q496-T656 HydrophobicContact CB-CG2 4.36Å
497N58.7Low59.1Low80 Ų8078.3 Ų78.343%0.42844%0.442SS..Hα-helixtrans-63.3-37172.3-73.7-17.4000112.8A493 S499 E500 N501A493-N497 WeakPolarHBondContact O-CB 3.45Å; A493-N497 PolarHBondContact O-N 3.22Å; A493-N497 PolarHBondContact O-ND2 3.4Å; N497-S499 VanDerWaalsContact C-N 3.31Å; N497-E500 PolarHBondContact O-N 3.14Å; N497-N501 VanDerWaalsContact O-CB 3.31Å; N497-N501 WeakPolarHBondContact O-CB 3.18Å; N497-N501 PolarHBondContact O-N 2.69Å
498K58.7Low56.7Low130 Ų13073.9 Ų73.957%0.56542%0.417SS*.Hα-helixtrans-63.6-36.6170.3-79.2-179.4178.1179.70112.1N494 A495 Q496 A502N494-K498 WeakPolarHBondContact O-CG 3.2Å; N494-K498 PolarHBondContact O-N 2.99Å; A495-K498 PolarHBondContact O-N 2.82Å; Q496-K498 VanDerWaalsContact C-N 3.35Å; Q496-K498 PolarHBondContact O-N 3.47Å; K498-A502 PolarHBondContact O-N 2.81Å
499S55.3Low54.3Low6 Ų678.6 Ų78.64%0.04244%0.436CS..Hα-helixtrans-74.6-32.8174.583.30000113.7A495 Q496 N497 A502 R652 T656A495-S499 PolarHBondContact O-N 3.43Å; A495-S499 VanDerWaalsContact O-N 3.08Å; Q496-S499 WeakPolarHBondContact CA-OG 3.44Å; Q496-S499 CarbonylContact O-C 3.57Å; Q496-S499 WeakPolarHBondContact O-CA 3.3Å; Q496-S499 WeakPolarHBondContact O-CB 3.43Å; Q496-S499 PolarHBondContact O-N 3.18Å; Q496-S499 VanDerWaalsContact O-N 3.08Å; Q496-S499 PolarHBondContact O-OG 3.45Å; N497-S499 VanDerWaalsContact C-N 3.31Å; S499-A502 WeakPolarHBondContact O-CB 3.47Å; S499-A502 PolarHBondContact O-N 3.23Å; S499-R652 PolarHBondContact OG-NE 2.97Å; S499-T656 WeakPolarHBondContact CB-OG1 3.49Å; S499-T656 PolarHBondContact OG-OG1 3.2Å
500E45.6Very low51.8Low43 Ų4379.8 Ų79.820%0.20144%0.443CS..Hα-helixtrans-76.5-40.1179.2-78.1-160.5178.500112.2Q496 N497 A502 N503 K504 R652Q496-E500 WeakPolarHBondContact O-CG 3.45Å; Q496-E500 PolarHBondContact O-N 2.85Å; N497-E500 PolarHBondContact O-N 3.14Å; E500-A502 PolarHBondContact O-N 3.06Å; E500-N503 CarbonylContact O-C 3.48Å; E500-N503 PolarHBondContact O-N 2.96Å; E500-K504 PolarHBondContact O-N 3Å; E500-K504 IonicContact OE2-NZ 2.83Å; E500-K504 PolarHBondContact OE2-NZ 2.94Å; E500-R652 IonicContact OE1-CZ 3.56Å; E500-R652 IonicContact OE1-NH1 3.57Å; E500-R652 IonicContact OE1-NH2 3.96Å; E500-R652 PolarHBondContact OE1-NH2 3.3Å
501N42.1Very low49.7Very low112 Ų11280.9 Ų80.960%0.59947%0.466SS*.THydrogen-bonded Turntrans-67-16.4173-73.5-9000112.3N497 N503 T505N497-N501 VanDerWaalsContact O-CB 3.31Å; N497-N501 WeakPolarHBondContact O-CB 3.18Å; N497-N501 PolarHBondContact O-N 2.69Å; N501-N503 VanDerWaalsContact C-N 3.34Å; N501-T505 PolarHBondContact O-OG1 3.45Å; N501-T505 VanDerWaalsContact O-OG1 3.12Å
502A42.4Very low48.4Very low71 Ų7186 Ų8659%0.58749%0.488SS*.THydrogen-bonded Turntrans-73.5-24.1168.900000112.8K498 S499 E500K498-A502 PolarHBondContact O-N 2.81Å; S499-A502 WeakPolarHBondContact O-CB 3.47Å; S499-A502 PolarHBondContact O-N 3.23Å; E500-A502 PolarHBondContact O-N 3.06Å
503N41.7Very low47.8Very low110 Ų11089.1 Ų89.159%0.58850%0.503SS*.THydrogen-bonded Turntrans-117.3-25.6-174.2-81-1.3000115.7E500 N501E500-N503 CarbonylContact O-C 3.48Å; E500-N503 PolarHBondContact O-N 2.96Å; N501-N503 VanDerWaalsContact C-N 3.34Å
504K37Very low48.3Very low150 Ų15089.1 Ų89.165%0.65250%0.496SS*.SBendtrans-86.3-6.5-177.4-83.6178.8179.3164.80114.6E500E500-K504 PolarHBondContact O-N 3Å; E500-K504 IonicContact OE2-NZ 2.83Å; E500-K504 PolarHBondContact OE2-NZ 2.94Å
505T32.8Very low49.1Very low60 Ų6086.6 Ų86.637%0.36848%0.483SS..  trans-125.591.9172.147.20000109N501 T507N501-T505 PolarHBondContact O-OG1 3.45Å; N501-T505 VanDerWaalsContact O-OG1 3.12Å; T505-T507 VanDerWaalsContact CB-O 3.22Å; T505-T507 WeakPolarHBondContact CB-O 3.09Å; T505-T507 CarbonylContact O-C 3.6Å; T505-T507 PolarHBondContact O-N 3.25Å; T505-T507 VanDerWaalsContact O-N 3.1Å
506G39.8Very low50.3Low88 Ų8888.9 Ų88.991%0.90749%0.491SS*.SBendtrans-56.9-9.9154.400000112.4
507T33.4Very low51.8Low108 Ų10888.7 Ų88.766%0.66349%0.489SS*.SBendtrans-91.882.6160.634.60000110.3T505 Q509T505-T507 VanDerWaalsContact CB-O 3.22Å; T505-T507 WeakPolarHBondContact CB-O 3.09Å; T505-T507 CarbonylContact O-C 3.6Å; T505-T507 PolarHBondContact O-N 3.25Å; T505-T507 VanDerWaalsContact O-N 3.1Å; T507-Q509 PolarHBondContact O-N 2.78Å
508R39.4Very low53.4Low97 Ų9785.4 Ų85.437%0.36647%0.474SS..  trans-39.999.3160.1-75.5177.5143.2166.40.8110.4L510 S541 R618R508-L510 HydrophobicContact CB-CB 4.38Å; R508-L510 HydrophobicContact CB-CD1 3.38Å; R508-L510 VanDerWaalsContact CD-CD1 3.41Å; R508-L510 HydrophobicContact CG-CD1 3.2Å; R508-L510 PolarHBondContact O-N 2.81Å; R508-S541 VanDerWaalsContact CD-CB 3.46Å; R508-S541 VanDerWaalsContact NH1-CB 3.26Å; R508-R618 PolarHBondContact NH1-O 3.48Å; R508-R618 PolarHBondContact NH2-O 2.83Å; R508-R618 VanDerWaalsContact NH2-O 3.08Å
509Q36.6Very low54.9Low190 Ų19083.3 Ų83.389%0.88847%0.466SS*.  trans-78.360.6144.6-84.6-171.20.800106.5T507 G511T507-Q509 PolarHBondContact O-N 2.78Å; Q509-G511 PolarHBondContact O-N 3.17Å
510L40.4Very low56.6Low43 Ų4383.1 Ų83.123%0.22547%0.465CS..  trans-71.792.3151.9-88.287.6000103.8R508 N512 Q513 S541R508-L510 HydrophobicContact CB-CB 4.38Å; R508-L510 HydrophobicContact CB-CD1 3.38Å; R508-L510 VanDerWaalsContact CD-CD1 3.41Å; R508-L510 HydrophobicContact CG-CD1 3.2Å; R508-L510 PolarHBondContact O-N 2.81Å; L510-N512 VanDerWaalsContact C-N 3.27Å; L510-N512 PolarHBondContact O-N 3.34Å; L510-Q513 HydrophobicContact CB-CB 4.46Å; L510-Q513 HydrophobicContact CD2-CB 3.73Å; L510-Q513 HydrophobicContact CG-CB 4.39Å; L510-S541 VanDerWaalsContact CB-OG 3.31Å; L510-S541 WeakPolarHBondContact CB-OG 3.28Å
511G37.2Very low58.6Low68 Ų6881.6 Ų81.670%0.70146%0.458SS*.  trans-54.4101161.500000108.1Q509 Q513Q509-G511 PolarHBondContact O-N 3.17Å; G511-Q513 PolarHBondContact O-N 2.87Å
512N49.1Very low60.8Low129 Ų12976.3 Ų76.369%0.6943%0.43SS*.SBendtrans46.529.8166.9-74.4-11.5000117.6L510 V514L510-N512 VanDerWaalsContact C-N 3.27Å; L510-N512 PolarHBondContact O-N 3.34Å; N512-V514 PolarHBondContact O-N 2.93Å
513Q58.4Low62.5Low136 Ų13675.7 Ų75.764%0.63642%0.415SS*.  trans-73.3121.3172.1-103-173.122.900109.8L510 G511 I515L510-Q513 HydrophobicContact CB-CB 4.46Å; L510-Q513 HydrophobicContact CD2-CB 3.73Å; L510-Q513 HydrophobicContact CG-CB 4.39Å; G511-Q513 PolarHBondContact O-N 2.87Å; Q513-I515 PolarHBondContact O-N 3.07Å
514V75.4Confident64Low64 Ų6471.5 Ų71.539%0.38839%0.392SS..EExtended strand (participates in β ladder)trans-77.7118.3-177.7177.80000109.2N512 K517 V538 L539 T540N512-V514 PolarHBondContact O-N 2.93Å; V514-K517 HydrophobicContact CG1-CD 4.2Å; V514-K517 HydrophobicContact CG1-CG 3.46Å; V514-K517 VanDerWaalsContact CG1-CG 3.46Å; V514-V538 HydrophobicContact CB-CG1 4.29Å; V514-V538 HydrophobicContact CG1-CG1 3.67Å; V514-V538 HydrophobicContact CG2-CG1 3.64Å; V514-L539 CarbonylContact C-O 3.33Å; V514-T540 HydrophobicContact CG2-CG2 4.41Å
515I83.9Confident65.5Low42 Ų4265.7 Ų65.722%0.21537%0.368CS..EExtended strand (participates in β ladder)trans-73.9-42.7176.7-63.3178.6000110.4Q513 L539 A619Q513-I515 PolarHBondContact O-N 3.07Å; I515-L539 HydrophobicContact CB-CD2 4.41Å; I515-L539 HydrophobicContact CB-CG 4.26Å; I515-L539 HydrophobicContact CG2-CD2 4.23Å; I515-L539 PolarHBondContact N-O 3.15Å; I515-A619 HydrophobicContact CD1-CB 3.62Å
516R88.2Confident66.6Low49 Ų4964.6 Ų64.619%0.18537%0.369CS..EExtended strand (participates in β ladder)trans-156.9146.2178.5-171.8169.6-179.1-168.5-2.4111L539 D608 S611 W612 S615R516-L539 PolarHBondContact N-O 3.43Å; R516-L539 PolarHBondContact O-N 3.25Å; R516-D608 IonicContact NH2-OD1 2.95Å; R516-S611 VanDerWaalsContact NH1-CB 3.3Å; R516-S611 PolarHBondContact NH1-O 3.5Å; R516-S611 VanDerWaalsContact NH1-O 3.15Å; R516-S611 PolarHBondContact NH1-OG 3.5Å; R516-W612 HydrophobicContact CB-CH2 4.2Å; R516-W612 HydrophobicContact CB-CZ3 3.93Å; R516-W612 HydrophobicContact CG-CE3 4.31Å; R516-W612 HydrophobicContact CG-CH2 3.79Å; R516-W612 HydrophobicContact CG-CZ2 4.13Å; R516-W612 HydrophobicContact CG-CZ3 3.88Å; R516-W612 VanDerWaalsContact NH1-CD1 3.29Å; R516-S615 WeakPolarHBondContact CD-OG 3.43Å
517K92.6Very high67.1Low86 Ų8668.3 Ų68.337%0.37437%0.366SS..EExtended strand (participates in β ladder)trans-120.1150.4164.1-52.5-171.1173.3-171.90110.2V514 W536 F537 V538 E552V514-K517 HydrophobicContact CG1-CD 4.2Å; V514-K517 HydrophobicContact CG1-CG 3.46Å; V514-K517 VanDerWaalsContact CG1-CG 3.46Å; K517-W536 HydrophobicContact CB-CH2 4.15Å; K517-W536 HydrophobicContact CB-CZ2 3.44Å; K517-W536 VanDerWaalsContact CB-CZ2 3.44Å; K517-W536 HydrophobicContact CD-CZ2 4.15Å; K517-W536 HydrophobicContact CG-CZ2 4.41Å; K517-F537 CarbonylContact C-O 3.49Å; K517-F537 WeakPolarHBondContact CA-O 3.47Å; K517-V538 HydrophobicContact CD-CG2 4.07Å; K517-V538 HydrophobicContact CG-CB 4.5Å; K517-V538 HydrophobicContact CG-CG1 4.26Å; K517-V538 HydrophobicContact CG-CG2 4.06Å; K517-E552 VanDerWaalsContact CD-OE1 3.26Å; K517-E552 WeakPolarHBondContact CD-OE1 3.5Å; K517-E552 VanDerWaalsContact CE-OE1 3.3Å; K517-E552 WeakPolarHBondContact CE-OE1 3.37Å; K517-E552 IonicContact NZ-OE1 3.06Å; K517-E552 PolarHBondContact NZ-OE1 3.06Å; K517-E552 IonicContact NZ-OE2 3.82Å; K517-E552 PolarHBondContact NZ-OE2 2.89Å
518G90.9Very high68Low11 Ų1172.4 Ų72.411%0.11338%0.381CS..EExtended strand (participates in β ladder)trans166.8168.617400000113.2W536 F537G518-W536 VanDerWaalsContact C-CE3 3.49Å; G518-W536 VanDerWaalsContact CA-CZ3 3.42Å; G518-F537 PolarHBondContact N-O 3.26Å; G518-F537 PolarHBondContact O-N 2.88Å
519H90.5Very high68.6Low87 Ų8776.4 Ų76.440%0.40340%0.401SS..EExtended strand (participates in β ladder)trans-78.3134.2177.9-69.7-77000111.4Y535 W536 E550H519-Y535 WeakPolarHBondContact CA-O 3.49Å; H519-W536 AromaticContact CD2-CE3 3.59Å; H519-W536 AromaticContact CD2-CZ3 3.6Å; H519-W536 AromaticContact CE1-CE3 3.66Å; H519-W536 AromaticContact CG-CE3 3.91Å; H519-W536 AromaticContact ND1-CE3 3.96Å; H519-W536 AromaticContact NE2-CE3 3.41Å; H519-W536 AromaticContact NE2-CZ3 3.61Å; H519-E550 IonicContact CD2-OE1 3.44Å; H519-E550 IonicContact CE1-OE1 3.25Å; H519-E550 IonicContact NE2-OE1 3.46Å; H519-E550 PolarHBondContact NE2-OE1 3.39Å
520M90.4Very high69.4Low2 Ų269.1 Ų69.11%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-138.9158.3166-51.3175.674.700109.5P534 Y535 F537 F582 L601 W612M520-P534 WeakPolarHBondContact O-CA 3.49Å; M520-Y535 PolarHBondContact N-O 3.46Å; M520-Y535 VanDerWaalsContact N-O 3.09Å; M520-Y535 PolarHBondContact O-N 2.86Å; M520-F537 HydrophobicContact CB-CD2 3.55Å; M520-F537 HydrophobicContact CB-CE2 3.64Å; M520-F537 HydrophobicContact CB-CG 4.32Å; M520-F537 HydrophobicContact CB-CZ 4.45Å; M520-F537 HydrophobicContact CG-CD2 3.95Å; M520-F537 HydrophobicContact CG-CE2 4.48Å; M520-F537 HydrophobicContact CG-CG 4.32Å; M520-F537 WeakPolarHBondContact O-CE2 3.3Å; M520-F537 HydrophobicContact SD-CB 4.38Å; M520-F537 HydrophobicContact SD-CD2 4.3Å; M520-F537 HydrophobicContact SD-CG 4.15Å; M520-F582 HydrophobicContact CE-CE1 3.49Å; M520-F582 VanDerWaalsContact CE-CE1 3.49Å; M520-F582 HydrophobicContact CE-CE2 4.43Å; M520-F582 HydrophobicContact CE-CZ 3.3Å; M520-L601 HydrophobicContact CE-CB 3.57Å; M520-L601 HydrophobicContact CE-CD1 3.86Å; M520-L601 HydrophobicContact CE-CG 4.28Å; M520-L601 HydrophobicContact SD-CD1 4.27Å; M520-W612 HydrophobicContact CE-CB 4.36Å; M520-W612 HydrophobicContact CE-CD2 4.27Å; M520-W612 HydrophobicContact CE-CG 4.07Å; M520-W612 HydrophobicContact CG-CD2 4.33Å; M520-W612 HydrophobicContact CG-CZ2 3.96Å; M520-W612 HydrophobicContact SD-CD2 3.68Å; M520-W612 HydrophobicContact SD-CE3 3.94Å; M520-W612 HydrophobicContact SD-CG 4.11Å; M520-W612 HydrophobicContact SD-CH2 4.27Å; M520-W612 HydrophobicContact SD-CZ2 4.02Å; M520-W612 HydrophobicContact SD-CZ3 4.23Å
521V88.3Confident70.2Confident11 Ų1168.5 Ų68.57%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-111.8127.3179-176.50000109.8P534 S602V521-P534 HydrophobicContact CG2-CB 4.02Å; V521-S602 PolarHBondContact N-O 3.01Å; V521-S602 PolarHBondContact O-N 2.97Å; V521-S602 PolarHBondContact O-OG 3.43Å
522I87.7Confident71.4Confident0 Ų068.5 Ų68.50%037%0.37CS..EExtended strand (participates in β ladder)trans-82.6120.2173.3-55.5171.4000108.5N524 L525 Y535 F537 W546 L599 E600 L601I522-N524 WeakPolarHBondContact CG2-OD1 3.46Å; I522-L525 HydrophobicContact CB-CD1 3.8Å; I522-L525 HydrophobicContact CB-CG 4.34Å; I522-L525 HydrophobicContact CD1-CD1 4.02Å; I522-L525 HydrophobicContact CG1-CD1 4.49Å; I522-L525 HydrophobicContact CG2-CD1 3.76Å; I522-L525 HydrophobicContact CG2-CG 3.78Å; I522-Y535 HydrophobicContact CD1-CD2 3.84Å; I522-Y535 HydrophobicContact CD1-CE2 4.08Å; I522-Y535 HydrophobicContact CG1-CD2 4.19Å; I522-F537 HydrophobicContact CD1-CZ 3.91Å; I522-F537 HydrophobicContact CG1-CE2 4.35Å; I522-F537 HydrophobicContact CG1-CZ 3.7Å; I522-W546 HydrophobicContact CD1-CD2 4.28Å; I522-W546 HydrophobicContact CD1-CZ2 3.9Å; I522-L599 HydrophobicContact CD1-CD1 4.4Å; I522-L599 HydrophobicContact CG1-CD1 4.42Å; I522-L599 HydrophobicContact CG2-CD1 3.71Å; I522-E600 WeakPolarHBondContact CA-O 3.29Å; I522-L601 HydrophobicContact CG1-CD2 3.81Å
523Q78.2Confident72.5Confident58 Ų5870 Ų7027%0.27137%0.366SS..SBendtrans-86.9-34.2-173.2-72.5-69.1-1200113.6L525 T581 E600 S602Q523-L525 VanDerWaalsContact C-N 3.3Å; Q523-L525 PolarHBondContact O-N 3.24Å; Q523-T581 HydrophobicContact CG-CG2 4.21Å; Q523-E600 HydrophobicContact CB-CB 4.06Å; Q523-E600 PolarHBondContact N-O 3.25Å; Q523-S602 PolarHBondContact NE2-OG 3.25Å
524N74.6Confident73.6Confident22 Ų2267.1 Ų67.112%0.11836%0.359CS..  trans-86.111.9-172.263.3-10.2000115.2I522 G526 Y596 Q598 E600I522-N524 WeakPolarHBondContact CG2-OD1 3.46Å; N524-G526 PolarHBondContact O-N 2.94Å; N524-Y596 HydrophobicContact CB-CD1 4.36Å; N524-Y596 HydrophobicContact CB-CE1 4.38Å; N524-Y596 WeakPolarHBondContact O-CE1 3.22Å; N524-Y596 PolarHBondContact O-OH 2.79Å; N524-Y596 VanDerWaalsContact O-OH 3.04Å; N524-Q598 PolarHBondContact ND2-O 3.31Å; N524-E600 HydrophobicContact CB-CB 4.34Å; N524-E600 HydrophobicContact CB-CG 4.19Å
525L67.6Low74.3Confident28 Ų2866 Ų6615%0.14735%0.348CS..SBendtrans-81.8107.4173.3-77.9169000110.7I522 Q523 Y535 Y593I522-L525 HydrophobicContact CB-CD1 3.8Å; I522-L525 HydrophobicContact CB-CG 4.34Å; I522-L525 HydrophobicContact CD1-CD1 4.02Å; I522-L525 HydrophobicContact CG1-CD1 4.49Å; I522-L525 HydrophobicContact CG2-CD1 3.76Å; I522-L525 HydrophobicContact CG2-CG 3.78Å; Q523-L525 VanDerWaalsContact C-N 3.3Å; Q523-L525 PolarHBondContact O-N 3.24Å; L525-Y535 HydrophobicContact CD1-CE2 4.06Å; L525-Y593 HydrophobicContact CD2-CE1 3.76Å
526G55.6Low74.8Confident38 Ų3865.9 Ų65.939%0.39234%0.344SS..  trans-55.5150.9-175.300000115.7N524 M528 K529N524-G526 PolarHBondContact O-N 2.94Å; G526-M528 PolarHBondContact O-N 3.12Å; G526-K529 PolarHBondContact O-N 3.31Å
527I50Low75Confident165 Ų16563.5 Ų63.585%0.84634%0.336SS*.G310 helixtrans-54-29.8-173.9-61170.3000113.1K529I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 2.84Å
528M52.1Low75Confident195 Ų19559.8 Ų59.896%0.96132%0.32SS*.G310 helixtrans-75.3-5.1180-76.3-175.7154.900115.4G526G526-M528 PolarHBondContact O-N 3.12Å
529K53.1Low75.1Confident181 Ų18159.3 Ų59.379%0.78732%0.315SS*.G310 helixtrans-126.826.7178.6-76.6-174.3178.4173.30114.4G526 I527G526-K529 PolarHBondContact O-N 3.31Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 2.84Å
530G52.6Low75Confident36 Ų3655.7 Ų55.737%0.37130%0.299SS..THydrogen-bonded Turntrans116.512.9161.400000118.2R533G530-R533 WeakPolarHBondContact O-CD 3.36Å; G530-R533 WeakPolarHBondContact O-CG 3.38Å; G530-R533 PolarHBondContact O-NE 3.45Å
531G57.2Low74.4Confident30 Ų3056.1 Ų56.131%0.30930%0.302SS..  trans67.6170.9172.700000115.2R533G531-R533 PolarHBondContact O-N 3.47Å
532S63.4Low74Confident69 Ų6960.3 Ų60.348%0.48332%0.321SS..SBendtrans-69.184.6179.768.10000111
533R71.1Confident74.1Confident161 Ų16161 Ų6161%0.60833%0.325SS*.  trans-96.7142.5178.4-66.2-175.7-174.6-152.2-3.5110.9G530 G531 Y535G530-R533 WeakPolarHBondContact O-CD 3.36Å; G530-R533 WeakPolarHBondContact O-CG 3.38Å; G530-R533 PolarHBondContact O-NE 3.45Å; G531-R533 PolarHBondContact O-N 3.47Å; R533-Y535 WeakPolarHBondContact O-CD2 3.48Å
534P82.5Confident74.9Confident75 Ų7558.2 Ų58.249%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-66.4135.5168.429.3-32.4000109.5M520 V521M520-P534 WeakPolarHBondContact O-CA 3.49Å; V521-P534 HydrophobicContact CG2-CB 4.02Å
535Y90.3Very high75.7Confident41 Ų4157.3 Ų57.316%0.16131%0.308CS..EExtended strand (participates in β ladder)trans-116.1153169.5-67.8-77.2000108.9H519 M520 I522 L525 R533 F537 W546 Y547 K556H519-Y535 WeakPolarHBondContact CA-O 3.49Å; M520-Y535 PolarHBondContact N-O 3.46Å; M520-Y535 VanDerWaalsContact N-O 3.09Å; M520-Y535 PolarHBondContact O-N 2.86Å; I522-Y535 HydrophobicContact CD1-CD2 3.84Å; I522-Y535 HydrophobicContact CD1-CE2 4.08Å; I522-Y535 HydrophobicContact CG1-CD2 4.19Å; L525-Y535 HydrophobicContact CD1-CE2 4.06Å; R533-Y535 WeakPolarHBondContact O-CD2 3.48Å; Y535-F537 VanDerWaalsContact O-CD2 3.29Å; Y535-F537 WeakPolarHBondContact O-CD2 3.41Å; Y535-F537 PolarHBondContact O-N 3.44Å; Y535-W546 AromaticContact CG-CD1 3.82Å; Y535-Y547 WeakPolarHBondContact CD1-O 3.37Å; Y535-K556 HydrophobicContact CD1-CG 4.39Å; Y535-K556 HydrophobicContact CE1-CG 4.16Å
536W93Very high76.9Confident38 Ų3856.1 Ų56.114%0.14430%0.302CS..EExtended strand (participates in β ladder)trans-83.8110.9172.8-177.3-112.9000109.5K517 G518 H519 W546 Y547 E550 E552K517-W536 HydrophobicContact CB-CH2 4.15Å; K517-W536 HydrophobicContact CB-CZ2 3.44Å; K517-W536 VanDerWaalsContact CB-CZ2 3.44Å; K517-W536 HydrophobicContact CD-CZ2 4.15Å; K517-W536 HydrophobicContact CG-CZ2 4.41Å; G518-W536 VanDerWaalsContact C-CE3 3.49Å; G518-W536 VanDerWaalsContact CA-CZ3 3.42Å; H519-W536 AromaticContact CD2-CE3 3.59Å; H519-W536 AromaticContact CD2-CZ3 3.6Å; H519-W536 AromaticContact CE1-CE3 3.66Å; H519-W536 AromaticContact CG-CE3 3.91Å; H519-W536 AromaticContact ND1-CE3 3.96Å; H519-W536 AromaticContact NE2-CE3 3.41Å; H519-W536 AromaticContact NE2-CZ3 3.61Å; W536-W546 CarbonylContact O-C 3.56Å; W536-W546 VanDerWaalsContact O-CA 3.23Å; W536-W546 WeakPolarHBondContact O-CA 3.43Å; W536-Y547 PolarHBondContact N-O 3.3Å; W536-Y547 VanDerWaalsContact N-O 3.09Å; W536-Y547 PolarHBondContact O-N 2.96Å; W536-E550 HydrophobicContact CD2-CB 4.33Å; W536-E550 HydrophobicContact CD2-CG 3.77Å; W536-E550 HydrophobicContact CE3-CG 3.6Å; W536-E550 HydrophobicContact CG-CG 4.3Å; W536-E550 HydrophobicContact CH2-CG 4.17Å; W536-E550 HydrophobicContact CZ2-CG 4.36Å; W536-E550 HydrophobicContact CZ3-CG 3.79Å; W536-E552 PolarHBondContact NE1-OE1 2.85Å
537F94.3Very high78.6Confident0 Ų055.4 Ų55.40%029%0.287CS..EExtended strand (participates in β ladder)trans-92.8139.6-179.7-77.4-99.2000111K517 G518 M520 I522 Y535 I544 S545 W546 L601 W612K517-F537 CarbonylContact C-O 3.49Å; K517-F537 WeakPolarHBondContact CA-O 3.47Å; G518-F537 PolarHBondContact N-O 3.26Å; G518-F537 PolarHBondContact O-N 2.88Å; M520-F537 HydrophobicContact CB-CD2 3.55Å; M520-F537 HydrophobicContact CB-CE2 3.64Å; M520-F537 HydrophobicContact CB-CG 4.32Å; M520-F537 HydrophobicContact CB-CZ 4.45Å; M520-F537 HydrophobicContact CG-CD2 3.95Å; M520-F537 HydrophobicContact CG-CE2 4.48Å; M520-F537 HydrophobicContact CG-CG 4.32Å; M520-F537 WeakPolarHBondContact O-CE2 3.3Å; M520-F537 HydrophobicContact SD-CB 4.38Å; M520-F537 HydrophobicContact SD-CD2 4.3Å; M520-F537 HydrophobicContact SD-CG 4.15Å; I522-F537 HydrophobicContact CD1-CZ 3.91Å; I522-F537 HydrophobicContact CG1-CE2 4.35Å; I522-F537 HydrophobicContact CG1-CZ 3.7Å; Y535-F537 VanDerWaalsContact O-CD2 3.29Å; Y535-F537 WeakPolarHBondContact O-CD2 3.41Å; Y535-F537 PolarHBondContact O-N 3.44Å; F537-I544 HydrophobicContact CB-CD1 4.5Å; F537-I544 HydrophobicContact CD1-CD1 3.57Å; F537-I544 HydrophobicContact CD1-CG1 3.76Å; F537-I544 HydrophobicContact CE1-CD1 4.25Å; F537-I544 HydrophobicContact CE1-CG1 4.49Å; F537-I544 HydrophobicContact CG-CD1 4.43Å; F537-S545 CarbonylContact C-O 3.58Å; F537-S545 WeakPolarHBondContact CA-O 3.45Å; F537-W546 HydrophobicContact CD1-CB 3.7Å; F537-W546 HydrophobicContact CD1-CE3 4.17Å; F537-W546 HydrophobicContact CD1-CG 4.41Å; F537-W546 HydrophobicContact CD2-CB 4.1Å; F537-W546 HydrophobicContact CE1-CB 3.7Å; F537-W546 AromaticContact CE1-CD2 3.82Å; F537-W546 HydrophobicContact CE1-CD2 3.82Å; F537-W546 AromaticContact CE1-CE3 3.55Å; F537-W546 HydrophobicContact CE1-CE3 3.55Å; F537-W546 AromaticContact CE1-CG 3.94Å; F537-W546 HydrophobicContact CE1-CG 3.94Å; F537-W546 HydrophobicContact CE1-CZ3 4.33Å; F537-W546 HydrophobicContact CE2-CB 4.07Å; F537-W546 HydrophobicContact CG-CB 3.94Å; F537-W546 HydrophobicContact CZ-CB 3.88Å; F537-W546 HydrophobicContact CZ-CD2 4.14Å; F537-W546 HydrophobicContact CZ-CE3 4.29Å; F537-W546 AromaticContact CZ-CG 4Å; F537-W546 HydrophobicContact CZ-CG 4Å; F537-L601 HydrophobicContact CE1-CD2 4.04Å; F537-L601 HydrophobicContact CZ-CD2 3.71Å; F537-W612 HydrophobicContact CB-CH2 4.04Å
538V92.5Very high80.3Confident8 Ų853.2 Ų53.25%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-125.2104.6173.7-178.80000106.9V514 K517 S545 Y547 E552V514-V538 HydrophobicContact CB-CG1 4.29Å; V514-V538 HydrophobicContact CG1-CG1 3.67Å; V514-V538 HydrophobicContact CG2-CG1 3.64Å; K517-V538 HydrophobicContact CD-CG2 4.07Å; K517-V538 HydrophobicContact CG-CB 4.5Å; K517-V538 HydrophobicContact CG-CG1 4.26Å; K517-V538 HydrophobicContact CG-CG2 4.06Å; V538-S545 PolarHBondContact N-O 2.9Å; V538-S545 PolarHBondContact O-N 3.23Å; V538-Y547 HydrophobicContact CB-CE2 4.04Å; V538-Y547 HydrophobicContact CG2-CD2 3.93Å; V538-Y547 HydrophobicContact CG2-CE2 3.58Å; V538-E552 HydrophobicContact CG2-CG 4.45Å
539L92.6Very high81.9Confident0 Ų047 Ų470%024%0.242CC..EExtended strand (participates in β ladder)trans-89.4123.1176.4178.165.6000109V514 I515 R516 I544 L561 W612 F616 A619V514-L539 CarbonylContact C-O 3.33Å; I515-L539 HydrophobicContact CB-CD2 4.41Å; I515-L539 HydrophobicContact CB-CG 4.26Å; I515-L539 HydrophobicContact CG2-CD2 4.23Å; I515-L539 PolarHBondContact N-O 3.15Å; R516-L539 PolarHBondContact N-O 3.43Å; R516-L539 PolarHBondContact O-N 3.25Å; L539-I544 HydrophobicContact CD1-CB 3.93Å; L539-I544 HydrophobicContact CD1-CD1 4.25Å; L539-I544 HydrophobicContact CD1-CG1 4.28Å; L539-L561 HydrophobicContact CD1-CD1 3.61Å; L539-L561 HydrophobicContact CD1-CD2 4.38Å; L539-W612 HydrophobicContact CB-CZ3 4.03Å; L539-W612 HydrophobicContact CD2-CZ3 4.46Å; L539-F616 HydrophobicContact CD1-CD1 3.89Å; L539-F616 HydrophobicContact CD1-CE1 3.65Å; L539-F616 HydrophobicContact CD1-CZ 4.41Å; L539-F616 HydrophobicContact CD2-CD1 4.16Å; L539-F616 HydrophobicContact CD2-CE1 4.36Å; L539-F616 HydrophobicContact CD2-CG 4.35Å; L539-A619 HydrophobicContact CD1-CB 4.2Å; L539-A619 HydrophobicContact CD2-CB 4.34Å; L539-A619 HydrophobicContact CG-CB 4.43Å
540T87.4Confident83.6Confident11 Ų1143.7 Ų43.77%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-110.1177169.367.10000108.9V514 E542 S543 L561V514-T540 HydrophobicContact CG2-CG2 4.41Å; T540-E542 PolarHBondContact O-N 3.47Å; T540-E542 PolarHBondContact OG1-N 2.9Å; T540-S543 PolarHBondContact N-O 3.42Å; T540-S543 PolarHBondContact OG1-N 3.17Å; T540-S543 PolarHBondContact OG1-O 3.04Å; T540-S543 PolarHBondContact OG1-OG 3.43Å; T540-L561 WeakPolarHBondContact O-CD1 3.43Å
541S77.8Confident85.1Confident11 Ų1146.9 Ų46.98%0.07724%0.238CC..SBendtrans-68.3-18.5174.850.40000115.2R508 L510R508-S541 VanDerWaalsContact CD-CB 3.46Å; R508-S541 VanDerWaalsContact NH1-CB 3.26Å; L510-S541 VanDerWaalsContact CB-OG 3.31Å; L510-S541 WeakPolarHBondContact CB-OG 3.28Å
542E81.2Confident86.5Confident100 Ų10048.1 Ų48.147%0.46724%0.236SC..SBendtrans-113.8-28.8-174.2-62.6-174.9166.800112.6T540 L561T540-E542 PolarHBondContact O-N 3.47Å; T540-E542 PolarHBondContact OG1-N 2.9Å; E542-L561 PolarHBondContact O-N 3.46Å
543S90.1Very high87.5Confident13 Ų1352.8 Ų52.89%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-146.6154.4-176.368.40000112.1T540 L559T540-S543 PolarHBondContact N-O 3.42Å; T540-S543 PolarHBondContact OG1-N 3.17Å; T540-S543 PolarHBondContact OG1-O 3.04Å; T540-S543 PolarHBondContact OG1-OG 3.43Å; S543-L559 CarbonylContact C-O 3.53Å; S543-L559 WeakPolarHBondContact CA-O 3.27Å; S543-L559 WeakPolarHBondContact CB-O 3.39Å
544I93.3Very high88.2Confident0 Ų049.4 Ų49.40%024%0.239CC..EExtended strand (participates in β ladder)trans-107.5121.5161.9-172165.4000109.7F537 L539 L559 L561 L584 F616F537-I544 HydrophobicContact CB-CD1 4.5Å; F537-I544 HydrophobicContact CD1-CD1 3.57Å; F537-I544 HydrophobicContact CD1-CG1 3.76Å; F537-I544 HydrophobicContact CE1-CD1 4.25Å; F537-I544 HydrophobicContact CE1-CG1 4.49Å; F537-I544 HydrophobicContact CG-CD1 4.43Å; L539-I544 HydrophobicContact CD1-CB 3.93Å; L539-I544 HydrophobicContact CD1-CD1 4.25Å; L539-I544 HydrophobicContact CD1-CG1 4.28Å; I544-L559 HydrophobicContact CG2-CB 3.9Å; I544-L559 HydrophobicContact CG2-CD2 4.1Å; I544-L559 HydrophobicContact CG2-CG 4.27Å; I544-L559 PolarHBondContact N-O 3.18Å; I544-L559 PolarHBondContact O-N 3.47Å; I544-L561 HydrophobicContact CB-CD2 4.04Å; I544-L561 HydrophobicContact CG2-CD2 3.76Å; I544-L584 HydrophobicContact CG2-CD1 4.39Å; I544-F616 HydrophobicContact CB-CE1 4.48Å; I544-F616 HydrophobicContact CD1-CE1 3.77Å; I544-F616 HydrophobicContact CD1-CE2 4.4Å; I544-F616 HydrophobicContact CD1-CZ 3.33Å
545S93.1Very high88.4Confident4 Ų450.7 Ų50.73%0.02824%0.236CC..EExtended strand (participates in β ladder)trans-110.2151.1175.9-61.20000110.2F537 V538 F557 M558F537-S545 CarbonylContact C-O 3.58Å; F537-S545 WeakPolarHBondContact CA-O 3.45Å; V538-S545 PolarHBondContact N-O 2.9Å; V538-S545 PolarHBondContact O-N 3.23Å; S545-F557 VanDerWaalsContact CA-O 3.3Å; S545-F557 WeakPolarHBondContact CA-O 3.46Å; S545-M558 WeakPolarHBondContact OG-CG 3.15Å
546W92.3Very high88.3Confident2 Ų252.7 Ų52.71%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-134.3147.8170.462.295.2000113I522 Y535 W536 F537 K556 F557 L559 Y593 L599I522-W546 HydrophobicContact CD1-CD2 4.28Å; I522-W546 HydrophobicContact CD1-CZ2 3.9Å; Y535-W546 AromaticContact CG-CD1 3.82Å; W536-W546 CarbonylContact O-C 3.56Å; W536-W546 VanDerWaalsContact O-CA 3.23Å; W536-W546 WeakPolarHBondContact O-CA 3.43Å; F537-W546 HydrophobicContact CD1-CB 3.7Å; F537-W546 HydrophobicContact CD1-CE3 4.17Å; F537-W546 HydrophobicContact CD1-CG 4.41Å; F537-W546 HydrophobicContact CD2-CB 4.1Å; F537-W546 HydrophobicContact CE1-CB 3.7Å; F537-W546 AromaticContact CE1-CD2 3.82Å; F537-W546 HydrophobicContact CE1-CD2 3.82Å; F537-W546 AromaticContact CE1-CE3 3.55Å; F537-W546 HydrophobicContact CE1-CE3 3.55Å; F537-W546 AromaticContact CE1-CG 3.94Å; F537-W546 HydrophobicContact CE1-CG 3.94Å; F537-W546 HydrophobicContact CE1-CZ3 4.33Å; F537-W546 HydrophobicContact CE2-CB 4.07Å; F537-W546 HydrophobicContact CG-CB 3.94Å; F537-W546 HydrophobicContact CZ-CB 3.88Å; F537-W546 HydrophobicContact CZ-CD2 4.14Å; F537-W546 HydrophobicContact CZ-CE3 4.29Å; F537-W546 AromaticContact CZ-CG 4Å; F537-W546 HydrophobicContact CZ-CG 4Å; W546-K556 WeakPolarHBondContact O-CB 3.34Å; W546-K556 PolarHBondContact O-N 3.41Å; W546-F557 HydrophobicContact CD2-CB 4Å; W546-F557 VanDerWaalsContact CE2-CB 3.5Å; W546-F557 HydrophobicContact CE3-CB 4.26Å; W546-F557 HydrophobicContact CH2-CB 3.67Å; W546-F557 AromaticContact CH2-CD1 3.35Å; W546-F557 HydrophobicContact CH2-CD1 3.35Å; W546-F557 HydrophobicContact CH2-CE1 4.28Å; W546-F557 AromaticContact CH2-CG 3.81Å; W546-F557 HydrophobicContact CH2-CG 3.81Å; W546-F557 HydrophobicContact CZ2-CB 3.34Å; W546-F557 AromaticContact CZ2-CD1 3.89Å; W546-F557 HydrophobicContact CZ2-CD1 3.89Å; W546-F557 AromaticContact CZ2-CG 3.84Å; W546-F557 HydrophobicContact CZ2-CG 3.84Å; W546-F557 HydrophobicContact CZ3-CB 4.11Å; W546-F557 AromaticContact CZ3-CD1 3.82Å; W546-F557 HydrophobicContact CZ3-CD1 3.82Å; W546-F557 HydrophobicContact CZ3-CG 4.43Å; W546-F557 PolarHBondContact N-O 2.96Å; W546-F557 VanDerWaalsContact N-O 3.09Å; W546-F557 PolarHBondContact O-N 3.37Å; W546-L559 HydrophobicContact CZ3-CB 4.14Å; W546-Y593 AromaticContact CH2-CD2 3.7Å; W546-Y593 HydrophobicContact CH2-CD2 3.7Å; W546-Y593 AromaticContact CH2-CE2 3.85Å; W546-Y593 HydrophobicContact CH2-CE2 3.85Å; W546-Y593 HydrophobicContact CH2-CG 4.31Å; W546-Y593 AromaticContact CZ2-CD2 3.78Å; W546-Y593 HydrophobicContact CZ2-CD2 3.78Å; W546-Y593 AromaticContact CZ2-CE2 3.44Å; W546-Y593 HydrophobicContact CZ2-CE2 3.44Å; W546-Y593 VanDerWaalsContact CZ2-CE2 3.44Å; W546-Y593 HydrophobicContact CZ2-CG 4.45Å; W546-Y593 AromaticContact CZ2-CZ 3.85Å; W546-L599 HydrophobicContact CH2-CD2 3.97Å; W546-L599 HydrophobicContact CZ3-CD2 3.95Å
547Y91.1Very high88.1Confident23 Ų2354.1 Ų54.19%0.0925%0.253CS..EExtended strand (participates in β ladder)trans-122.1159.8-172.5-60-101.6000109.9Y535 W536 V538 D549 E552 E554 K555Y535-Y547 WeakPolarHBondContact CD1-O 3.37Å; W536-Y547 PolarHBondContact N-O 3.3Å; W536-Y547 VanDerWaalsContact N-O 3.09Å; W536-Y547 PolarHBondContact O-N 2.96Å; V538-Y547 HydrophobicContact CB-CE2 4.04Å; V538-Y547 HydrophobicContact CG2-CD2 3.93Å; V538-Y547 HydrophobicContact CG2-CE2 3.58Å; Y547-D549 PolarHBondContact O-N 2.75Å; Y547-E552 VanDerWaalsContact CD1-CA 3.46Å; Y547-E552 HydrophobicContact CD1-CB 3.95Å; Y547-E552 HydrophobicContact CD1-CG 4.21Å; Y547-E552 WeakPolarHBondContact CD1-O 3.34Å; Y547-E552 HydrophobicContact CD2-CG 4.05Å; Y547-E552 HydrophobicContact CE1-CB 3.87Å; Y547-E552 HydrophobicContact CE1-CG 4.26Å; Y547-E552 WeakPolarHBondContact CE1-O 3.27Å; Y547-E552 HydrophobicContact CE2-CG 4.17Å; Y547-E552 HydrophobicContact CG-CB 4.31Å; Y547-E552 HydrophobicContact CG-CG 4.08Å; Y547-E554 WeakPolarHBondContact CA-O 3.48Å; Y547-K555 VanDerWaalsContact CD1-CA 3.49Å; Y547-K555 HydrophobicContact CD1-CB 3.85Å; Y547-K555 HydrophobicContact CD1-CG 4.42Å; Y547-K555 HydrophobicContact CE1-CB 3.61Å; Y547-K555 HydrophobicContact CE1-CG 4.05Å; Y547-K555 VanDerWaalsContact CZ-CE 3.47Å; Y547-K555 WeakPolarHBondContact OH-CE 3.29Å
548K86.4Confident87.9Confident120 Ų12058.5 Ų58.552%0.52228%0.275SS..SBendtrans-59.2-37.8176.7-171.2-179.3171.6-168.80112.4E554K548-E554 HydrophobicContact CB-CB 4.41Å; K548-E554 WeakPolarHBondContact CD-OE2 3.29Å; K548-E554 PolarHBondContact N-O 3.43Å
549D85.4Confident87.8Confident63 Ų6358.6 Ų58.634%0.33728%0.275SS..SBendtrans-154.8174.5-17342.439.7000110.9Y547 D551 E552Y547-D549 PolarHBondContact O-N 2.75Å; D549-D551 PolarHBondContact O-N 3.43Å; D549-E552 PolarHBondContact O-N 3.5Å
550E87.1Confident87.6Confident112 Ų11262.5 Ų62.552%0.52330%0.3SS..THydrogen-bonded Turntrans-65.2-18-177.3-62-175.2-179.600114H519 W536 E552H519-E550 IonicContact CD2-OE1 3.44Å; H519-E550 IonicContact CE1-OE1 3.25Å; H519-E550 IonicContact NE2-OE1 3.46Å; H519-E550 PolarHBondContact NE2-OE1 3.39Å; W536-E550 HydrophobicContact CD2-CB 4.33Å; W536-E550 HydrophobicContact CD2-CG 3.77Å; W536-E550 HydrophobicContact CE3-CG 3.6Å; W536-E550 HydrophobicContact CG-CG 4.3Å; W536-E550 HydrophobicContact CH2-CG 4.17Å; W536-E550 HydrophobicContact CZ2-CG 4.36Å; W536-E550 HydrophobicContact CZ3-CG 3.79Å; E550-E552 PolarHBondContact O-N 2.83Å; E550-E552 VanDerWaalsContact O-N 3.16Å
551D85.6Confident87.7Confident103 Ų10362.4 Ų62.455%0.55130%0.299SS*.THydrogen-bonded Turntrans-65.7-14.7178.5-87.17.5000112.6D549 K553D549-D551 PolarHBondContact O-N 3.43Å; D551-K553 HydrophobicContact CB-CD 4.08Å; D551-K553 HydrophobicContact CB-CG 4.18Å; D551-K553 PolarHBondContact O-N 3.33Å; D551-K553 IonicContact OD2-NZ 3.91Å; D551-K553 PolarHBondContact OD2-NZ 3.17Å
552E85.1Confident88Confident56 Ų5669.3 Ų69.326%0.26234%0.336SS..  trans55.219177.7-70.2173.9-152.600114.5K517 W536 V538 Y547 D549 E550K517-E552 VanDerWaalsContact CD-OE1 3.26Å; K517-E552 WeakPolarHBondContact CD-OE1 3.5Å; K517-E552 VanDerWaalsContact CE-OE1 3.3Å; K517-E552 WeakPolarHBondContact CE-OE1 3.37Å; K517-E552 IonicContact NZ-OE1 3.06Å; K517-E552 PolarHBondContact NZ-OE1 3.06Å; K517-E552 IonicContact NZ-OE2 3.82Å; K517-E552 PolarHBondContact NZ-OE2 2.89Å; W536-E552 PolarHBondContact NE1-OE1 2.85Å; V538-E552 HydrophobicContact CG2-CG 4.45Å; Y547-E552 VanDerWaalsContact CD1-CA 3.46Å; Y547-E552 HydrophobicContact CD1-CB 3.95Å; Y547-E552 HydrophobicContact CD1-CG 4.21Å; Y547-E552 WeakPolarHBondContact CD1-O 3.34Å; Y547-E552 HydrophobicContact CD2-CG 4.05Å; Y547-E552 HydrophobicContact CE1-CB 3.87Å; Y547-E552 HydrophobicContact CE1-CG 4.26Å; Y547-E552 WeakPolarHBondContact CE1-O 3.27Å; Y547-E552 HydrophobicContact CE2-CG 4.17Å; Y547-E552 HydrophobicContact CG-CB 4.31Å; Y547-E552 HydrophobicContact CG-CG 4.08Å; D549-E552 PolarHBondContact O-N 3.5Å; E550-E552 PolarHBondContact O-N 2.83Å; E550-E552 VanDerWaalsContact O-N 3.16Å
553K84.6Confident88Confident167 Ų16766.8 Ų66.873%0.72634%0.337SS*.  trans-76.1-36.7-179.4-71.1169.8-172.1151.30112.6D551D551-K553 HydrophobicContact CB-CD 4.08Å; D551-K553 HydrophobicContact CB-CG 4.18Å; D551-K553 PolarHBondContact O-N 3.33Å; D551-K553 IonicContact OD2-NZ 3.91Å; D551-K553 PolarHBondContact OD2-NZ 3.17Å
554E85.8Confident88Confident90 Ų9067 Ų6742%0.42134%0.336SS..SBendtrans-11792.6-176.5-163-171169.700111.4Y547 K548 K556Y547-E554 WeakPolarHBondContact CA-O 3.48Å; K548-E554 HydrophobicContact CB-CB 4.41Å; K548-E554 WeakPolarHBondContact CD-OE2 3.29Å; K548-E554 PolarHBondContact N-O 3.43Å; E554-K556 PolarHBondContact O-N 2.88Å; E554-K556 IonicContact OE1-NZ 3.08Å; E554-K556 PolarHBondContact OE1-NZ 3.18Å; E554-K556 IonicContact OE2-NZ 3.5Å; E554-K556 PolarHBondContact OE2-NZ 2.63Å
555K87.8Confident87.8Confident102 Ų10271 Ų7144%0.44335%0.354SS..EExtended strand (participates in β ladder)trans-72.2116.8174.8-173177.4-69.2-179.10109.9Y547 M558Y547-K555 VanDerWaalsContact CD1-CA 3.49Å; Y547-K555 HydrophobicContact CD1-CB 3.85Å; Y547-K555 HydrophobicContact CD1-CG 4.42Å; Y547-K555 HydrophobicContact CE1-CB 3.61Å; Y547-K555 HydrophobicContact CE1-CG 4.05Å; Y547-K555 VanDerWaalsContact CZ-CE 3.47Å; Y547-K555 WeakPolarHBondContact OH-CE 3.29Å; K555-M558 HydrophobicContact CD-CB 4.45Å; K555-M558 HydrophobicContact CD-CE 4.16Å
556K88.4Confident87.6Confident84 Ų8471.2 Ų71.237%0.36535%0.354SS..EExtended strand (participates in β ladder)trans-81.9-39.3-179.5-66.8-63.7-178.4-174.80112.3Y535 W546 E554Y535-K556 HydrophobicContact CD1-CG 4.39Å; Y535-K556 HydrophobicContact CE1-CG 4.16Å; W546-K556 WeakPolarHBondContact O-CB 3.34Å; W546-K556 PolarHBondContact O-N 3.41Å; E554-K556 PolarHBondContact O-N 2.88Å; E554-K556 IonicContact OE1-NZ 3.08Å; E554-K556 PolarHBondContact OE1-NZ 3.18Å; E554-K556 IonicContact OE2-NZ 3.5Å; E554-K556 PolarHBondContact OE2-NZ 2.63Å
557F88Confident87.4Confident67 Ų6774.9 Ų74.929%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-160.7159.4178.7-156.8-104.3000111.2S545 W546 L559 Y593S545-F557 VanDerWaalsContact CA-O 3.3Å; S545-F557 WeakPolarHBondContact CA-O 3.46Å; W546-F557 HydrophobicContact CD2-CB 4Å; W546-F557 VanDerWaalsContact CE2-CB 3.5Å; W546-F557 HydrophobicContact CE3-CB 4.26Å; W546-F557 HydrophobicContact CH2-CB 3.67Å; W546-F557 AromaticContact CH2-CD1 3.35Å; W546-F557 HydrophobicContact CH2-CD1 3.35Å; W546-F557 HydrophobicContact CH2-CE1 4.28Å; W546-F557 AromaticContact CH2-CG 3.81Å; W546-F557 HydrophobicContact CH2-CG 3.81Å; W546-F557 HydrophobicContact CZ2-CB 3.34Å; W546-F557 AromaticContact CZ2-CD1 3.89Å; W546-F557 HydrophobicContact CZ2-CD1 3.89Å; W546-F557 AromaticContact CZ2-CG 3.84Å; W546-F557 HydrophobicContact CZ2-CG 3.84Å; W546-F557 HydrophobicContact CZ3-CB 4.11Å; W546-F557 AromaticContact CZ3-CD1 3.82Å; W546-F557 HydrophobicContact CZ3-CD1 3.82Å; W546-F557 HydrophobicContact CZ3-CG 4.43Å; W546-F557 PolarHBondContact N-O 2.96Å; W546-F557 VanDerWaalsContact N-O 3.09Å; W546-F557 PolarHBondContact O-N 3.37Å; F557-L559 HydrophobicContact CD1-CB 4.19Å; F557-L559 HydrophobicContact CE1-CB 4.14Å; F557-L559 HydrophobicContact CE1-CD1 4.48Å; F557-Y593 HydrophobicContact CB-CE2 4.19Å; F557-Y593 AromaticContact CD1-CD2 3.78Å; F557-Y593 HydrophobicContact CD1-CD2 3.78Å; F557-Y593 AromaticContact CD1-CE2 3.93Å; F557-Y593 HydrophobicContact CD1-CE2 3.93Å; F557-Y593 HydrophobicContact CD2-CD2 4.18Å; F557-Y593 AromaticContact CD2-CE2 3.69Å; F557-Y593 HydrophobicContact CD2-CE2 3.69Å; F557-Y593 AromaticContact CE1-CD2 3.71Å; F557-Y593 HydrophobicContact CE1-CD2 3.71Å; F557-Y593 HydrophobicContact CE1-CE2 4.2Å; F557-Y593 HydrophobicContact CE2-CD2 4.11Å; F557-Y593 AromaticContact CE2-CE2 3.97Å; F557-Y593 HydrophobicContact CE2-CE2 3.97Å; F557-Y593 HydrophobicContact CG-CD2 4.01Å; F557-Y593 AromaticContact CG-CE2 3.66Å; F557-Y593 HydrophobicContact CG-CE2 3.66Å; F557-Y593 AromaticContact CZ-CD2 3.88Å; F557-Y593 HydrophobicContact CZ-CD2 3.88Å; F557-Y593 HydrophobicContact CZ-CE2 4.21Å
558M89.9Confident87.1Confident92 Ų9278.3 Ų78.345%0.45339%0.388SS..EExtended strand (participates in β ladder)trans-133.2119.9170.1176-175.6-67.200107.7S545 K555S545-M558 WeakPolarHBondContact OG-CG 3.15Å; K555-M558 HydrophobicContact CD-CB 4.45Å; K555-M558 HydrophobicContact CD-CE 4.16Å
559L90.4Very high86.7Confident11 Ų1175.1 Ų75.16%0.05838%0.376CS..EExtended strand (participates in β ladder)trans-109114.6-179.8175.260000109.4S543 I544 W546 F557 L564 V592 L599S543-L559 CarbonylContact C-O 3.53Å; S543-L559 WeakPolarHBondContact CA-O 3.27Å; S543-L559 WeakPolarHBondContact CB-O 3.39Å; I544-L559 HydrophobicContact CG2-CB 3.9Å; I544-L559 HydrophobicContact CG2-CD2 4.1Å; I544-L559 HydrophobicContact CG2-CG 4.27Å; I544-L559 PolarHBondContact N-O 3.18Å; I544-L559 PolarHBondContact O-N 3.47Å; W546-L559 HydrophobicContact CZ3-CB 4.14Å; F557-L559 HydrophobicContact CD1-CB 4.19Å; F557-L559 HydrophobicContact CE1-CB 4.14Å; F557-L559 HydrophobicContact CE1-CD1 4.48Å; L559-L564 HydrophobicContact CD1-CD1 4.28Å; L559-L564 HydrophobicContact CD2-CD1 3.84Å; L559-L564 HydrophobicContact CG-CD1 3.95Å; L559-V592 HydrophobicContact CD1-CG1 4.04Å; L559-V592 WeakPolarHBondContact CD1-O 3.29Å; L559-V592 HydrophobicContact CD2-CG1 3.6Å; L559-V592 HydrophobicContact CG-CG1 4.44Å; L559-L599 HydrophobicContact CD2-CD2 3.93Å
560P89.3Confident85.6Confident81 Ų8180.4 Ų80.453%0.52640%0.399SS..EExtended strand (participates in β ladder)trans-59.4139.3169.6-21.833.5000110.9L564P560-L564 WeakPolarHBondContact O-CD1 3.48Å
561L88.9Confident84.2Confident9 Ų980.7 Ų80.75%0.04740%0.4CS..  trans-86.6-10.9-178.9-62.5176.9000113.4L539 T540 E542 I544 G563 L564 F616 A619 V621L539-L561 HydrophobicContact CD1-CD1 3.61Å; L539-L561 HydrophobicContact CD1-CD2 4.38Å; T540-L561 WeakPolarHBondContact O-CD1 3.43Å; E542-L561 PolarHBondContact O-N 3.46Å; I544-L561 HydrophobicContact CB-CD2 4.04Å; I544-L561 HydrophobicContact CG2-CD2 3.76Å; L561-G563 PolarHBondContact O-N 2.89Å; L561-L564 HydrophobicContact CD2-CD1 4.46Å; L561-L564 WeakPolarHBondContact O-CB 3.45Å; L561-L564 PolarHBondContact O-N 3.31Å; L561-L564 VanDerWaalsContact O-N 3.13Å; L561-F616 HydrophobicContact CD2-CD1 4.44Å; L561-F616 HydrophobicContact CD2-CE1 4.11Å; L561-A619 HydrophobicContact CD1-CB 3.7Å; L561-V621 HydrophobicContact CB-CG2 3.94Å; L561-V621 HydrophobicContact CD1-CG2 4.36Å; L561-V621 HydrophobicContact CD2-CG2 4.15Å; L561-V621 HydrophobicContact CG-CG2 4.36Å
562D84.4Confident82.5Confident157 Ų15778.2 Ų78.284%0.8440%0.4SS*.THydrogen-bonded Turntrans-60.7130.2-176.1-16923.6000111.7L564D562-L564 PolarHBondContact O-N 3.4Å
563G80.8Confident80.8Confident47 Ų4785.9 Ų85.949%0.48543%0.432SS..THydrogen-bonded Turntrans71.6-1.5-17700000116.4L561 P587L561-G563 PolarHBondContact O-N 2.89Å; G563-P587 WeakPolarHBondContact O-CD 3.45Å
564L89.8Confident79.1Confident16 Ų1687.1 Ų87.18%0.08444%0.443CS..  trans-79.2144.6177.7-62.5-175000112.1L559 P560 L561 D562 F585 V592L559-L564 HydrophobicContact CD1-CD1 4.28Å; L559-L564 HydrophobicContact CD2-CD1 3.84Å; L559-L564 HydrophobicContact CG-CD1 3.95Å; P560-L564 WeakPolarHBondContact O-CD1 3.48Å; L561-L564 HydrophobicContact CD2-CD1 4.46Å; L561-L564 WeakPolarHBondContact O-CB 3.45Å; L561-L564 PolarHBondContact O-N 3.31Å; L561-L564 VanDerWaalsContact O-N 3.13Å; D562-L564 PolarHBondContact O-N 3.4Å; L564-F585 WeakPolarHBondContact CA-O 3.44Å; L564-V592 HydrophobicContact CD1-CG1 4.28Å; L564-V592 HydrophobicContact CD2-CG1 4.05Å; L564-V592 HydrophobicContact CD2-CG2 3.82Å
565K89.7Confident77.4Confident86 Ų8686.6 Ų86.637%0.37445%0.449SS..EExtended strand (participates in β ladder)trans-119.8159.1168.9-71.4-166-175178.30111.1L584 F585 P587K565-L584 WeakPolarHBondContact O-CA 3.32Å; K565-F585 HydrophobicContact CB-CD1 4.49Å; K565-F585 HydrophobicContact CB-CE1 3.93Å; K565-F585 HydrophobicContact CB-CZ 4.09Å; K565-F585 PolarHBondContact N-O 2.85Å; K565-F585 WeakPolarHBondContact O-CD1 3.32Å; K565-F585 PolarHBondContact O-N 2.97Å; K565-P587 HydrophobicContact CB-CG 4.11Å; K565-P587 HydrophobicContact CD-CG 3.61Å; K565-P587 HydrophobicContact CG-CG 3.59Å
566L89.6Confident75.5Confident7 Ų791.4 Ų91.44%0.03748%0.476CS..EExtended strand (participates in β ladder)trans-102.8139.8176.6-164.8149.3000109.6F582 A583 L584 K613 F616 V621 Y622 P623 E624L566-F582 HydrophobicContact CD1-CD2 3.72Å; L566-F582 HydrophobicContact CD1-CE2 3.89Å; L566-F582 HydrophobicContact CD2-CB 4.33Å; L566-F582 HydrophobicContact CD2-CD2 4.3Å; L566-F582 HydrophobicContact CG-CD2 3.9Å; L566-A583 WeakPolarHBondContact CA-O 3.47Å; L566-L584 HydrophobicContact CB-CD2 4.5Å; L566-L584 HydrophobicContact CD1-CD2 4.35Å; L566-L584 HydrophobicContact CG-CD2 4.48Å; L566-K613 HydrophobicContact CD1-CB 4.32Å; L566-K613 HydrophobicContact CD1-CG 3.9Å; L566-K613 HydrophobicContact CD2-CD 4.2Å; L566-K613 HydrophobicContact CD2-CG 4.02Å; L566-F616 HydrophobicContact CD1-CB 4.11Å; L566-F616 HydrophobicContact CD1-CD2 4.22Å; L566-F616 HydrophobicContact CD1-CG 4.36Å; L566-V621 HydrophobicContact CB-CG1 4.16Å; L566-Y622 PolarHBondContact N-O 2.97Å; L566-P623 CarbonylContact O-C 3.54Å; L566-P623 VanDerWaalsContact O-CA 3.26Å; L566-P623 WeakPolarHBondContact O-CA 3.24Å; L566-E624 PolarHBondContact O-N 3.49Å
567R88.1Confident73.9Confident79 Ų7989.4 Ų89.430%0.29847%0.472SS..EExtended strand (participates in β ladder)trans-139.9152.9164.962.8-178156-148.3-3.6111.2A583 F585R567-A583 HydrophobicContact CG-CB 4.1Å; R567-A583 PolarHBondContact N-O 3.43Å; R567-A583 PolarHBondContact O-N 3.28Å; R567-F585 HydrophobicContact CB-CD1 4.35Å; R567-F585 HydrophobicContact CB-CE1 3.76Å; R567-F585 HydrophobicContact CG-CD1 3.7Å; R567-F585 HydrophobicContact CG-CE1 3.56Å; R567-F585 VanDerWaalsContact CZ-CD2 3.49Å; R567-F585 VanDerWaalsContact CZ-CG 3.41Å; R567-F585 VanDerWaalsContact NH1-CE2 3.34Å; R567-F585 VanDerWaalsContact NH2-CG 3.33Å
568D83.4Confident72.4Confident95 Ų9598 Ų9851%0.50850%0.503SS..EExtended strand (participates in β ladder)trans-77.4140.9170.3-74.8-43.1000110.7K613D568-K613 WeakPolarHBondContact OD1-CE 3.4Å; D568-K613 IonicContact OD1-NZ 2.7Å; D568-K613 PolarHBondContact OD1-NZ 3.33Å; D568-K613 IonicContact OD2-NZ 3.58Å; D568-K613 PolarHBondContact OD2-NZ 3.42Å
569I79.3Confident71.2Confident53 Ų5397.7 Ų97.727%0.27250%0.497SS..  trans-99.1111.2173.7-53.5-179.1000106.8Q571 T581 A583 E600I569-Q571 PolarHBondContact O-N 3.37Å; I569-T581 HydrophobicContact CD1-CG2 3.79Å; I569-T581 PolarHBondContact N-O 2.79Å; I569-A583 HydrophobicContact CD1-CB 3.75Å; I569-A583 HydrophobicContact CG1-CB 3.84Å; I569-E600 HydrophobicContact CD1-CB 3.89Å; I569-E600 HydrophobicContact CD1-CG 3.46Å; I569-E600 VanDerWaalsContact CD1-CG 3.46Å
570E61.5Low70.2Confident174 Ų17499.3 Ų99.381%0.81351%0.507SS*.  trans-64.1129.4174.3-69.7-176.3170.100110.3G572E570-G572 PolarHBondContact O-N 3.15Å; E570-G572 VanDerWaalsContact O-N 3.1Å
571Q57.5Low69.8Low118 Ų11896.5 Ų96.555%0.55149%0.488SS*.  trans-67.9108.5176.8-80.5-179.5-11.200109.7I569 S577 R579I569-Q571 PolarHBondContact O-N 3.37Å; Q571-S577 PolarHBondContact NE2-O 3.48Å; Q571-R579 PolarHBondContact NE2-O 2.88Å
572G50.5Low69.9Low52 Ų5296.1 Ų96.154%0.53649%0.486SS..  trans-59.8139165.600000110.7E570 M574 S575E570-G572 PolarHBondContact O-N 3.15Å; E570-G572 VanDerWaalsContact O-N 3.1Å; G572-M574 PolarHBondContact O-N 2.97Å; G572-S575 PolarHBondContact O-N 3.24Å
573F48.1Very low70.2Confident217 Ų21788.6 Ų88.695%0.95245%0.446SS*.THydrogen-bonded Turntrans-55.4-1-171.6-155.3-99.5000116.1
574M49.1Very low70.7Confident193 Ų19386.4 Ų86.495%0.95142%0.423SS*.THydrogen-bonded Turntrans-123.815.1178.9-72.1-171.3172.100114.9G572G572-M574 PolarHBondContact O-N 2.97Å
575S50.2Low70.7Confident78 Ų7886 Ų8655%0.54542%0.421SS..  trans-88114.9172.7-173.10000111.9G572 S577G572-S575 PolarHBondContact O-N 3.24Å; S575-S577 PolarHBondContact O-N 2.85Å; S575-S577 VanDerWaalsContact O-N 3.16Å
576M49.3Very low70.7Confident204 Ų20482.7 Ų82.7100%1.00541%0.409SS*.  trans-79.314-174.2-144.3177.8-162.900114.4
577S53.6Low70.4Confident42 Ų4285.7 Ų85.729%0.29443%0.428SS..  trans-111.8114.2-179-177.80000110.9Q571 S575 R579Q571-S577 PolarHBondContact NE2-O 3.48Å; S575-S577 PolarHBondContact O-N 2.85Å; S575-S577 VanDerWaalsContact O-N 3.16Å; S577-R579 PolarHBondContact O-N 3.03Å
578R57Low70.1Confident248 Ų24886.1 Ų86.194%0.93644%0.436SS*.  trans-63.67.1175.2-93.6-176.3179.1173.5-0.4114.8
579R64.1Low69.7Low84 Ų8483.6 Ų83.632%0.31743%0.433SS..  trans-87.1123.7-174.5-63.5-175.9177.5-178.1-5110.6Q571 S577 T581Q571-R579 PolarHBondContact NE2-O 2.88Å; S577-R579 PolarHBondContact O-N 3.03Å; R579-T581 PolarHBondContact O-N 3.23Å; R579-T581 PolarHBondContact O-OG1 3.44Å
580V70.5Confident69.9Low45 Ų4589.3 Ų89.327%0.27345%0.451SS..  trans-68.8130.1173.3-179.20000108.4S602 V606 V609V580-S602 WeakPolarHBondContact O-CA 3.22Å; V580-V606 HydrophobicContact CG2-CB 4.47Å; V580-V606 HydrophobicContact CG2-CG1 4.5Å; V580-V606 HydrophobicContact CG2-CG2 3.73Å; V580-V609 HydrophobicContact CB-CG2 4.04Å; V580-V609 HydrophobicContact CG1-CB 4.34Å; V580-V609 HydrophobicContact CG1-CG1 4.09Å; V580-V609 HydrophobicContact CG1-CG2 4.16Å; V580-V609 WeakPolarHBondContact O-CG2 3.5Å
581T81.4Confident71Confident23 Ų2385.1 Ų85.114%0.14143%0.434CS..EExtended strand (participates in β ladder)trans-127.5138.8-169.9-54.30000109.7Q523 I569 R579 E600 L601 S602Q523-T581 HydrophobicContact CG-CG2 4.21Å; I569-T581 HydrophobicContact CD1-CG2 3.79Å; I569-T581 PolarHBondContact N-O 2.79Å; R579-T581 PolarHBondContact O-N 3.23Å; R579-T581 PolarHBondContact O-OG1 3.44Å; T581-E600 HydrophobicContact CG2-CB 4.19Å; T581-L601 WeakPolarHBondContact CA-O 3.45Å; T581-L601 WeakPolarHBondContact CG2-O 3.46Å; T581-S602 WeakPolarHBondContact OG1-CB 3.22Å
582F89.8Confident72.3Confident0 Ų080 Ų800%041%0.411CS..EExtended strand (participates in β ladder)trans-129.2157.517266.5-83.7000110M520 L566 L601 V609 W612 F616M520-F582 HydrophobicContact CE-CE1 3.49Å; M520-F582 VanDerWaalsContact CE-CE1 3.49Å; M520-F582 HydrophobicContact CE-CE2 4.43Å; M520-F582 HydrophobicContact CE-CZ 3.3Å; L566-F582 HydrophobicContact CD1-CD2 3.72Å; L566-F582 HydrophobicContact CD1-CE2 3.89Å; L566-F582 HydrophobicContact CD2-CB 4.33Å; L566-F582 HydrophobicContact CD2-CD2 4.3Å; L566-F582 HydrophobicContact CG-CD2 3.9Å; F582-L601 HydrophobicContact CE1-CB 4.25Å; F582-L601 HydrophobicContact CE2-CB 4.4Å; F582-L601 HydrophobicContact CE2-CD1 4.27Å; F582-L601 HydrophobicContact CZ-CB 4.15Å; F582-L601 HydrophobicContact CZ-CD1 4.33Å; F582-L601 PolarHBondContact N-O 2.97Å; F582-L601 PolarHBondContact O-N 2.77Å; F582-V609 HydrophobicContact CD1-CG1 3.67Å; F582-V609 HydrophobicContact CE1-CG1 4.12Å; F582-W612 HydrophobicContact CE1-CB 4.36Å; F582-W612 HydrophobicContact CZ-CB 4.15Å; F582-F616 AromaticContact CE2-CD2 3.92Å; F582-F616 HydrophobicContact CE2-CD2 3.92Å; F582-F616 AromaticContact CE2-CE2 3.63Å; F582-F616 HydrophobicContact CE2-CE2 3.63Å; F582-F616 HydrophobicContact CE2-CZ 4.48Å; F582-F616 HydrophobicContact CZ-CD2 4.16Å; F582-F616 AromaticContact CZ-CE2 3.72Å; F582-F616 HydrophobicContact CZ-CE2 3.72Å
583A90.6Very high73.9Confident0 Ų078.2 Ų78.20%039%0.388CS..EExtended strand (participates in β ladder)trans-115.3138.7-179.700000111.8L566 R567 I569 Q598 L599L566-A583 WeakPolarHBondContact CA-O 3.47Å; R567-A583 HydrophobicContact CG-CB 4.1Å; R567-A583 PolarHBondContact N-O 3.43Å; R567-A583 PolarHBondContact O-N 3.28Å; I569-A583 HydrophobicContact CD1-CB 3.75Å; I569-A583 HydrophobicContact CG1-CB 3.84Å; A583-Q598 HydrophobicContact CB-CB 4.31Å; A583-Q598 HydrophobicContact CB-CG 4.46Å; A583-L599 WeakPolarHBondContact CA-O 3.5Å
584L91.9Very high75.5Confident0 Ų073.3 Ų73.30%037%0.367CS..EExtended strand (participates in β ladder)trans-93.5127.9159.3-60.5177.6000108.8I544 K565 L566 Q598 L599 L601 F616 V621I544-L584 HydrophobicContact CG2-CD1 4.39Å; K565-L584 WeakPolarHBondContact O-CA 3.32Å; L566-L584 HydrophobicContact CB-CD2 4.5Å; L566-L584 HydrophobicContact CD1-CD2 4.35Å; L566-L584 HydrophobicContact CG-CD2 4.48Å; L584-Q598 CarbonylContact O-C 3.49Å; L584-Q598 VanDerWaalsContact O-CA 3.24Å; L584-Q598 WeakPolarHBondContact O-CA 3.37Å; L584-L599 HydrophobicContact CB-CB 4.45Å; L584-L599 PolarHBondContact N-O 3.37Å; L584-L599 PolarHBondContact O-N 2.86Å; L584-L601 HydrophobicContact CD1-CD1 4.18Å; L584-F616 HydrophobicContact CD1-CE1 3.72Å; L584-F616 HydrophobicContact CD1-CZ 3.78Å; L584-F616 HydrophobicContact CD2-CD1 4.25Å; L584-F616 HydrophobicContact CD2-CE1 4.13Å; L584-F616 HydrophobicContact CD2-CZ 4.34Å; L584-F616 HydrophobicContact CG-CZ 4.49Å; L584-V621 HydrophobicContact CD2-CG1 3.99Å
585F90.5Very high77.1Confident8 Ų870.9 Ų70.94%0.03536%0.357CS..EExtended strand (participates in β ladder)trans-143.5159.2-179.975.1-76.3000111.7L564 K565 R567 Q598 E624L564-F585 WeakPolarHBondContact CA-O 3.44Å; K565-F585 HydrophobicContact CB-CD1 4.49Å; K565-F585 HydrophobicContact CB-CE1 3.93Å; K565-F585 HydrophobicContact CB-CZ 4.09Å; K565-F585 PolarHBondContact N-O 2.85Å; K565-F585 WeakPolarHBondContact O-CD1 3.32Å; K565-F585 PolarHBondContact O-N 2.97Å; R567-F585 HydrophobicContact CB-CD1 4.35Å; R567-F585 HydrophobicContact CB-CE1 3.76Å; R567-F585 HydrophobicContact CG-CD1 3.7Å; R567-F585 HydrophobicContact CG-CE1 3.56Å; R567-F585 VanDerWaalsContact CZ-CD2 3.49Å; R567-F585 VanDerWaalsContact CZ-CG 3.41Å; R567-F585 VanDerWaalsContact NH1-CE2 3.34Å; R567-F585 VanDerWaalsContact NH2-CG 3.33Å; F585-Q598 HydrophobicContact CB-CB 3.78Å; F585-E624 WeakPolarHBondContact CZ-OE2 3.27Å
586S88.9Confident78.6Confident17 Ų1771.3 Ų71.312%0.11935%0.348CS..  trans-92.8123.3173-157.50000109.5D588 G589S586-D588 VanDerWaalsContact CB-OD1 3.28Å; S586-D588 WeakPolarHBondContact CB-OD1 3.3Å; S586-D588 PolarHBondContact O-N 2.82Å; S586-D588 PolarHBondContact OG-OD1 2.98Å; S586-G589 PolarHBondContact O-N 2.77Å
587P83.3Confident80.3Confident69 Ų6968.2 Ų68.245%0.44833%0.329SS..THydrogen-bonded Turntrans-60.5-25.9-178.8-24.434.5000114G563 K565 G589G563-P587 WeakPolarHBondContact O-CD 3.45Å; K565-P587 HydrophobicContact CB-CG 4.11Å; K565-P587 HydrophobicContact CD-CG 3.61Å; K565-P587 HydrophobicContact CG-CG 3.59Å; P587-G589 PolarHBondContact O-N 3.49Å
588D81.4Confident81.9Confident88 Ų8868.3 Ų68.347%0.47133%0.325SS..THydrogen-bonded Turntrans-84.88.2177.467.6-11.1000113.6S586 R590S586-D588 VanDerWaalsContact CB-OD1 3.28Å; S586-D588 WeakPolarHBondContact CB-OD1 3.3Å; S586-D588 PolarHBondContact O-N 2.82Å; S586-D588 PolarHBondContact OG-OD1 2.98Å; D588-R590 VanDerWaalsContact C-N 3.33Å; D588-R590 PolarHBondContact O-N 3.24Å; D588-R590 WeakPolarHBondContact OD1-CG 3.43Å; D588-R590 PolarHBondContact OD1-N 3.23Å; D588-R590 IonicContact OD1-NE 3.72Å; D588-R590 WeakPolarHBondContact OD2-CD 3.25Å; D588-R590 IonicContact OD2-CZ 3.8Å; D588-R590 IonicContact OD2-NE 3.9Å; D588-R590 PolarHBondContact OD2-NE 3.43Å; D588-R590 IonicContact OD2-NH2 3.73Å; D588-R590 PolarHBondContact OD2-NH2 2.89Å; D588-R590 VanDerWaalsContact OD2-NH2 3.1Å
589G74.9Confident83.5Confident42 Ų4256.5 Ų56.543%0.43328%0.28SS..  trans77.511.9172.600000115.2S586 P587S586-G589 PolarHBondContact O-N 2.77Å; P587-G589 PolarHBondContact O-N 3.49Å
590R84.2Confident84.7Confident173 Ų17354.8 Ų54.865%0.65328%0.276SS*.  trans-66.5152.3174.2-68-178.2-161.8-178.112.4112.1D588 V592D588-R590 VanDerWaalsContact C-N 3.33Å; D588-R590 PolarHBondContact O-N 3.24Å; D588-R590 WeakPolarHBondContact OD1-CG 3.43Å; D588-R590 PolarHBondContact OD1-N 3.23Å; D588-R590 IonicContact OD1-NE 3.72Å; D588-R590 WeakPolarHBondContact OD2-CD 3.25Å; D588-R590 IonicContact OD2-CZ 3.8Å; D588-R590 IonicContact OD2-NE 3.9Å; D588-R590 PolarHBondContact OD2-NE 3.43Å; D588-R590 IonicContact OD2-NH2 3.73Å; D588-R590 PolarHBondContact OD2-NH2 2.89Å; D588-R590 VanDerWaalsContact OD2-NH2 3.1Å; R590-V592 PolarHBondContact O-N 2.98Å
591N85.1Confident85.6Confident86 Ų8652.7 Ų52.746%0.4626%0.263SS..  trans-68.1126.7171.4-67.3-11.9000110.1K594 Y596 K597N591-K594 VanDerWaalsContact CB-O 3.28Å; N591-K594 WeakPolarHBondContact CB-O 3.43Å; N591-K594 PolarHBondContact ND2-O 2.71Å; N591-Y596 CarbonylContact C-O 3.46Å; N591-Y596 WeakPolarHBondContact CA-O 3.28Å; N591-K597 WeakPolarHBondContact OD1-CG 3.3Å
592V84.6Confident85.9Confident11 Ų1151.6 Ų51.67%0.06726%0.256CS..SBendtrans-91.2-38-177.9174.40000110.4L559 L564 R590 Y596 K597 L599L559-V592 HydrophobicContact CD1-CG1 4.04Å; L559-V592 WeakPolarHBondContact CD1-O 3.29Å; L559-V592 HydrophobicContact CD2-CG1 3.6Å; L559-V592 HydrophobicContact CG-CG1 4.44Å; L564-V592 HydrophobicContact CD1-CG1 4.28Å; L564-V592 HydrophobicContact CD2-CG1 4.05Å; L564-V592 HydrophobicContact CD2-CG2 3.82Å; R590-V592 PolarHBondContact O-N 2.98Å; V592-Y596 PolarHBondContact N-O 2.63Å; V592-K597 WeakPolarHBondContact CG2-O 3.37Å; V592-L599 HydrophobicContact CG1-CB 4.14Å
593Y83.6Confident85.7Confident14 Ų1451.9 Ų51.96%0.05526%0.258CS..BIsolated β-bridgetrans-140.9113178.2176.6-113.4000110.8L525 W546 F557 D595 Y596 L599L525-Y593 HydrophobicContact CD2-CE1 3.76Å; W546-Y593 AromaticContact CH2-CD2 3.7Å; W546-Y593 HydrophobicContact CH2-CD2 3.7Å; W546-Y593 AromaticContact CH2-CE2 3.85Å; W546-Y593 HydrophobicContact CH2-CE2 3.85Å; W546-Y593 HydrophobicContact CH2-CG 4.31Å; W546-Y593 AromaticContact CZ2-CD2 3.78Å; W546-Y593 HydrophobicContact CZ2-CD2 3.78Å; W546-Y593 AromaticContact CZ2-CE2 3.44Å; W546-Y593 HydrophobicContact CZ2-CE2 3.44Å; W546-Y593 VanDerWaalsContact CZ2-CE2 3.44Å; W546-Y593 HydrophobicContact CZ2-CG 4.45Å; W546-Y593 AromaticContact CZ2-CZ 3.85Å; F557-Y593 HydrophobicContact CB-CE2 4.19Å; F557-Y593 AromaticContact CD1-CD2 3.78Å; F557-Y593 HydrophobicContact CD1-CD2 3.78Å; F557-Y593 AromaticContact CD1-CE2 3.93Å; F557-Y593 HydrophobicContact CD1-CE2 3.93Å; F557-Y593 HydrophobicContact CD2-CD2 4.18Å; F557-Y593 AromaticContact CD2-CE2 3.69Å; F557-Y593 HydrophobicContact CD2-CE2 3.69Å; F557-Y593 AromaticContact CE1-CD2 3.71Å; F557-Y593 HydrophobicContact CE1-CD2 3.71Å; F557-Y593 HydrophobicContact CE1-CE2 4.2Å; F557-Y593 HydrophobicContact CE2-CD2 4.11Å; F557-Y593 AromaticContact CE2-CE2 3.97Å; F557-Y593 HydrophobicContact CE2-CE2 3.97Å; F557-Y593 HydrophobicContact CG-CD2 4.01Å; F557-Y593 AromaticContact CG-CE2 3.66Å; F557-Y593 HydrophobicContact CG-CE2 3.66Å; F557-Y593 AromaticContact CZ-CD2 3.88Å; F557-Y593 HydrophobicContact CZ-CD2 3.88Å; F557-Y593 HydrophobicContact CZ-CE2 4.21Å; Y593-D595 PolarHBondContact O-N 3.16Å; Y593-Y596 HydrophobicContact CD1-CD2 4.31Å; Y593-Y596 PolarHBondContact N-O 3.23Å; Y593-Y596 WeakPolarHBondContact O-CB 3.16Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.47Å; Y593-Y596 PolarHBondContact O-N 2.7Å; Y593-L599 HydrophobicContact CD1-CD1 4.15Å; Y593-L599 HydrophobicContact CG-CD1 4.23Å
594K82.1Confident85.2Confident114 Ų11459.4 Ų59.450%0.49629%0.293SS..THydrogen-bonded Turntrans52.5-119.3-174.5-62.4173.6172.91600110.6N591N591-K594 VanDerWaalsContact CB-O 3.28Å; N591-K594 WeakPolarHBondContact CB-O 3.43Å; N591-K594 PolarHBondContact ND2-O 2.71Å
595D81.4Confident84.7Confident142 Ų14262.3 Ų62.376%0.75931%0.311SS*.THydrogen-bonded Turntrans-92.22179.6-52.1-49.3000112.7Y593Y593-D595 PolarHBondContact O-N 3.16Å
596Y82.3Confident84.1Confident88 Ų8866.1 Ų66.135%0.34534%0.335SS..BIsolated β-bridgetrans-91.2127-178.3-61.2-86.2000111.5N524 N591 V592 Y593 Q598N524-Y596 HydrophobicContact CB-CD1 4.36Å; N524-Y596 HydrophobicContact CB-CE1 4.38Å; N524-Y596 WeakPolarHBondContact O-CE1 3.22Å; N524-Y596 PolarHBondContact O-OH 2.79Å; N524-Y596 VanDerWaalsContact O-OH 3.04Å; N591-Y596 CarbonylContact C-O 3.46Å; N591-Y596 WeakPolarHBondContact CA-O 3.28Å; V592-Y596 PolarHBondContact N-O 2.63Å; Y593-Y596 HydrophobicContact CD1-CD2 4.31Å; Y593-Y596 PolarHBondContact N-O 3.23Å; Y593-Y596 WeakPolarHBondContact O-CB 3.16Å; Y593-Y596 WeakPolarHBondContact O-CD2 3.47Å; Y593-Y596 PolarHBondContact O-N 2.7Å; Y596-Q598 WeakPolarHBondContact CB-O 3.39Å; Y596-Q598 PolarHBondContact O-N 2.85Å
597K85.7Confident83.8Confident139 Ų13973.2 Ų73.260%0.60437%0.366SS*.SBendtrans-69.9-12.3175.8-66.9-173.1177.1-173.70114.6N591 V592N591-K597 WeakPolarHBondContact OD1-CG 3.3Å; V592-K597 WeakPolarHBondContact CG2-O 3.37Å
598Q87.5Confident83.9Confident44 Ų4472.8 Ų72.821%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-148.1155.8175.566.4-172.122.800110.1N524 A583 L584 F585 Y596 E600N524-Q598 PolarHBondContact ND2-O 3.31Å; A583-Q598 HydrophobicContact CB-CB 4.31Å; A583-Q598 HydrophobicContact CB-CG 4.46Å; L584-Q598 CarbonylContact O-C 3.49Å; L584-Q598 VanDerWaalsContact O-CA 3.24Å; L584-Q598 WeakPolarHBondContact O-CA 3.37Å; F585-Q598 HydrophobicContact CB-CB 3.78Å; Y596-Q598 WeakPolarHBondContact CB-O 3.39Å; Y596-Q598 PolarHBondContact O-N 2.85Å; Q598-E600 HydrophobicContact CG-CG 4.2Å; Q598-E600 PolarHBondContact NE2-OE1 2.88Å
599L89.5Confident84Confident0 Ų068.6 Ų68.60%034%0.337CS..EExtended strand (participates in β ladder)trans-110.7114.1173.7-179.267000108.6I522 W546 L559 A583 L584 V592 Y593 L601I522-L599 HydrophobicContact CD1-CD1 4.4Å; I522-L599 HydrophobicContact CG1-CD1 4.42Å; I522-L599 HydrophobicContact CG2-CD1 3.71Å; W546-L599 HydrophobicContact CH2-CD2 3.97Å; W546-L599 HydrophobicContact CZ3-CD2 3.95Å; L559-L599 HydrophobicContact CD2-CD2 3.93Å; A583-L599 WeakPolarHBondContact CA-O 3.5Å; L584-L599 HydrophobicContact CB-CB 4.45Å; L584-L599 PolarHBondContact N-O 3.37Å; L584-L599 PolarHBondContact O-N 2.86Å; V592-L599 HydrophobicContact CG1-CB 4.14Å; Y593-L599 HydrophobicContact CD1-CD1 4.15Å; Y593-L599 HydrophobicContact CG-CD1 4.23Å; L599-L601 HydrophobicContact CD1-CD2 4.48Å; L599-L601 HydrophobicContact CD2-CD1 4.44Å; L599-L601 HydrophobicContact CD2-CD2 4.13Å; L599-L601 HydrophobicContact CD2-CG 4.45Å; L599-L601 HydrophobicContact CG-CD2 3.95Å; L599-L601 HydrophobicContact CG-CG 4.22Å
600E89.8Confident84.5Confident48 Ų4871.2 Ų71.222%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-95119.8-176.2-57.2-174.8-175.800110.4I522 Q523 N524 I569 T581 Q598I522-E600 WeakPolarHBondContact CA-O 3.29Å; Q523-E600 HydrophobicContact CB-CB 4.06Å; Q523-E600 PolarHBondContact N-O 3.25Å; N524-E600 HydrophobicContact CB-CB 4.34Å; N524-E600 HydrophobicContact CB-CG 4.19Å; I569-E600 HydrophobicContact CD1-CB 3.89Å; I569-E600 HydrophobicContact CD1-CG 3.46Å; I569-E600 VanDerWaalsContact CD1-CG 3.46Å; T581-E600 HydrophobicContact CG2-CB 4.19Å; Q598-E600 HydrophobicContact CG-CG 4.2Å; Q598-E600 PolarHBondContact NE2-OE1 2.88Å
601L89.9Confident84.6Confident0 Ų065.5 Ų65.50%033%0.325CS..EExtended strand (participates in β ladder)trans-121.2135.7-174.2-58177.4000110.4M520 I522 F537 T581 F582 L584 L599 F616M520-L601 HydrophobicContact CE-CB 3.57Å; M520-L601 HydrophobicContact CE-CD1 3.86Å; M520-L601 HydrophobicContact CE-CG 4.28Å; M520-L601 HydrophobicContact SD-CD1 4.27Å; I522-L601 HydrophobicContact CG1-CD2 3.81Å; F537-L601 HydrophobicContact CE1-CD2 4.04Å; F537-L601 HydrophobicContact CZ-CD2 3.71Å; T581-L601 WeakPolarHBondContact CA-O 3.45Å; T581-L601 WeakPolarHBondContact CG2-O 3.46Å; F582-L601 HydrophobicContact CE1-CB 4.25Å; F582-L601 HydrophobicContact CE2-CB 4.4Å; F582-L601 HydrophobicContact CE2-CD1 4.27Å; F582-L601 HydrophobicContact CZ-CB 4.15Å; F582-L601 HydrophobicContact CZ-CD1 4.33Å; F582-L601 PolarHBondContact N-O 2.97Å; F582-L601 PolarHBondContact O-N 2.77Å; L584-L601 HydrophobicContact CD1-CD1 4.18Å; L599-L601 HydrophobicContact CD1-CD2 4.48Å; L599-L601 HydrophobicContact CD2-CD1 4.44Å; L599-L601 HydrophobicContact CD2-CD2 4.13Å; L599-L601 HydrophobicContact CD2-CG 4.45Å; L599-L601 HydrophobicContact CG-CD2 3.95Å; L599-L601 HydrophobicContact CG-CG 4.22Å; L601-F616 HydrophobicContact CD1-CZ 4.39Å
602S87.3Confident84.9Confident0 Ų061.6 Ų61.60%030%0.304CS..EExtended strand (participates in β ladder)trans-131.2147178.863.30000111.2V521 Q523 V580 T581V521-S602 PolarHBondContact N-O 3.01Å; V521-S602 PolarHBondContact O-N 2.97Å; V521-S602 PolarHBondContact O-OG 3.43Å; Q523-S602 PolarHBondContact NE2-OG 3.25Å; V580-S602 WeakPolarHBondContact O-CA 3.22Å; T581-S602 WeakPolarHBondContact OG1-CB 3.22Å
603C85.3Confident85Confident6 Ų662.1 Ų62.14%0.04131%0.305CS..  trans-117.9173174.4-54.30000110.1D608 V609C603-D608 HydrophobicContact CB-CB 3.72Å; C603-V609 HydrophobicContact CB-CG2 3.77Å
604E80.3Confident85Confident158 Ų15863.6 Ų63.674%0.73832%0.32SS*.SBendtrans-74.6-35.8-178.9-63.9-170.2163.700112.7
605T80.3Confident85.3Confident62 Ų6258.1 Ų58.138%0.3830%0.297SS..SBendtrans-120.4157.6-177.9740000112.1E607 D608 V609T605-E607 VanDerWaalsContact C-N 3.33Å; T605-D608 PolarHBondContact O-N 3.46Å; T605-D608 WeakPolarHBondContact OG1-CB 3.29Å; T605-D608 PolarHBondContact OG1-N 2.99Å; T605-D608 PolarHBondContact OG1-OD2 3.42Å; T605-V609 PolarHBondContact O-N 3.45Å
606V79.5Confident85.6Confident88 Ų8851.4 Ų51.453%0.53326%0.261SS..Hα-helixtrans-65.5-39.7175-170.40000110.8V580 D608 V609 E610V580-V606 HydrophobicContact CG2-CB 4.47Å; V580-V606 HydrophobicContact CG2-CG1 4.5Å; V580-V606 HydrophobicContact CG2-CG2 3.73Å; V606-D608 VanDerWaalsContact C-N 3.31Å; V606-D608 PolarHBondContact O-N 3.16Å; V606-V609 WeakPolarHBondContact O-CB 3.46Å; V606-V609 PolarHBondContact O-N 3.3Å; V606-E610 PolarHBondContact O-N 2.89Å
607E81.2Confident85.6Confident165 Ų16550.6 Ų50.677%0.77126%0.262SS*.Hα-helixtrans-61.6-38.6177.4-65.5179.4-176.400111.9T605 E610 S611T605-E607 VanDerWaalsContact C-N 3.33Å; E607-E610 PolarHBondContact O-N 3.03Å; E607-S611 WeakPolarHBondContact O-CB 3.49Å; E607-S611 PolarHBondContact O-N 3.3Å
608D86.4Confident85Confident60 Ų6051 Ų5132%0.32126%0.26SS..Hα-helixtrans-63.9-42.8175.2-76.5-46.5000112R516 C603 T605 V606 S611 W612R516-D608 IonicContact NH2-OD1 2.95Å; C603-D608 HydrophobicContact CB-CB 3.72Å; T605-D608 PolarHBondContact O-N 3.46Å; T605-D608 WeakPolarHBondContact OG1-CB 3.29Å; T605-D608 PolarHBondContact OG1-N 2.99Å; T605-D608 PolarHBondContact OG1-OD2 3.42Å; V606-D608 VanDerWaalsContact C-N 3.31Å; V606-D608 PolarHBondContact O-N 3.16Å; D608-S611 PolarHBondContact O-N 2.99Å; D608-W612 WeakPolarHBondContact O-CB 3.37Å; D608-W612 PolarHBondContact O-N 3.04Å
609V84.3Confident84.5Confident0 Ų049.3 Ų49.30%025%0.254CS..Hα-helixtrans-59.8-50.5176.3170.40000110.4V580 F582 C603 T605 V606 S611 W612 K613V580-V609 HydrophobicContact CB-CG2 4.04Å; V580-V609 HydrophobicContact CG1-CB 4.34Å; V580-V609 HydrophobicContact CG1-CG1 4.09Å; V580-V609 HydrophobicContact CG1-CG2 4.16Å; V580-V609 WeakPolarHBondContact O-CG2 3.5Å; F582-V609 HydrophobicContact CD1-CG1 3.67Å; F582-V609 HydrophobicContact CE1-CG1 4.12Å; C603-V609 HydrophobicContact CB-CG2 3.77Å; T605-V609 PolarHBondContact O-N 3.45Å; V606-V609 WeakPolarHBondContact O-CB 3.46Å; V606-V609 PolarHBondContact O-N 3.3Å; V609-S611 VanDerWaalsContact C-N 3.33Å; V609-S611 PolarHBondContact O-N 3.48Å; V609-W612 CarbonylContact O-C 3.38Å; V609-W612 WeakPolarHBondContact O-CA 3.43Å; V609-W612 WeakPolarHBondContact O-CB 3.4Å; V609-W612 PolarHBondContact O-N 2.66Å; V609-K613 HydrophobicContact CG1-CD 4.3Å; V609-K613 HydrophobicContact CG1-CG 4.4Å; V609-K613 WeakPolarHBondContact O-CG 3.49Å; V609-K613 PolarHBondContact O-N 3.45Å
610E83.4Confident84Confident97 Ų9751.2 Ų51.245%0.45327%0.273SS..Hα-helixtrans-63-40.2179.3-70.2-54.7135.100112V606 E607 W612 K613 A614V606-E610 PolarHBondContact O-N 2.89Å; E607-E610 PolarHBondContact O-N 3.03Å; E610-W612 VanDerWaalsContact C-N 3.28Å; E610-W612 PolarHBondContact O-N 2.92Å; E610-K613 PolarHBondContact O-N 3.45Å; E610-K613 IonicContact OE1-NZ 3.27Å; E610-K613 PolarHBondContact OE1-NZ 2.95Å; E610-A614 WeakPolarHBondContact O-CB 3.44Å; E610-A614 PolarHBondContact O-N 3.37Å
611S87.4Confident83.8Confident54 Ų5449 Ų4938%0.37826%0.263SS..Hα-helixtrans-63.5-33.5173.1-177.70000112.2R516 E607 D608 V609 S615R516-S611 VanDerWaalsContact NH1-CB 3.3Å; R516-S611 PolarHBondContact NH1-O 3.5Å; R516-S611 VanDerWaalsContact NH1-O 3.15Å; R516-S611 PolarHBondContact NH1-OG 3.5Å; E607-S611 WeakPolarHBondContact O-CB 3.49Å; E607-S611 PolarHBondContact O-N 3.3Å; D608-S611 PolarHBondContact O-N 2.99Å; V609-S611 VanDerWaalsContact C-N 3.33Å; V609-S611 PolarHBondContact O-N 3.48Å; S611-S615 PolarHBondContact O-N 2.65Å; S611-S615 VanDerWaalsContact O-N 3.09Å; S611-S615 PolarHBondContact O-OG 3.26Å
612W90.9Very high83.4Confident4 Ų456 Ų562%0.01529%0.291CS..Hα-helixtrans-74-43.7177.1-87.7111.9000110.4R516 M520 F537 L539 F582 D608 V609 E610 A614 S615 F616R516-W612 HydrophobicContact CB-CH2 4.2Å; R516-W612 HydrophobicContact CB-CZ3 3.93Å; R516-W612 HydrophobicContact CG-CE3 4.31Å; R516-W612 HydrophobicContact CG-CH2 3.79Å; R516-W612 HydrophobicContact CG-CZ2 4.13Å; R516-W612 HydrophobicContact CG-CZ3 3.88Å; R516-W612 VanDerWaalsContact NH1-CD1 3.29Å; M520-W612 HydrophobicContact CE-CB 4.36Å; M520-W612 HydrophobicContact CE-CD2 4.27Å; M520-W612 HydrophobicContact CE-CG 4.07Å; M520-W612 HydrophobicContact CG-CD2 4.33Å; M520-W612 HydrophobicContact CG-CZ2 3.96Å; M520-W612 HydrophobicContact SD-CD2 3.68Å; M520-W612 HydrophobicContact SD-CE3 3.94Å; M520-W612 HydrophobicContact SD-CG 4.11Å; M520-W612 HydrophobicContact SD-CH2 4.27Å; M520-W612 HydrophobicContact SD-CZ2 4.02Å; M520-W612 HydrophobicContact SD-CZ3 4.23Å; F537-W612 HydrophobicContact CB-CH2 4.04Å; L539-W612 HydrophobicContact CB-CZ3 4.03Å; L539-W612 HydrophobicContact CD2-CZ3 4.46Å; F582-W612 HydrophobicContact CE1-CB 4.36Å; F582-W612 HydrophobicContact CZ-CB 4.15Å; D608-W612 WeakPolarHBondContact O-CB 3.37Å; D608-W612 PolarHBondContact O-N 3.04Å; V609-W612 CarbonylContact O-C 3.38Å; V609-W612 WeakPolarHBondContact O-CA 3.43Å; V609-W612 WeakPolarHBondContact O-CB 3.4Å; V609-W612 PolarHBondContact O-N 2.66Å; E610-W612 VanDerWaalsContact C-N 3.28Å; E610-W612 PolarHBondContact O-N 2.92Å; W612-A614 VanDerWaalsContact C-N 3.34Å; W612-A614 PolarHBondContact O-N 2.99Å; W612-S615 CarbonylContact O-C 3.35Å; W612-S615 WeakPolarHBondContact O-CA 3.43Å; W612-S615 WeakPolarHBondContact O-CB 3.39Å; W612-S615 PolarHBondContact O-N 3.08Å; W612-F616 HydrophobicContact CE3-CE2 4.36Å; W612-F616 WeakPolarHBondContact O-CD2 3.32Å; W612-F616 PolarHBondContact O-N 2.84Å
613K87.8Confident83.2Confident21 Ų2159.4 Ų59.49%0.09131%0.312CS..Hα-helixtrans-56.3-45.7171.2-69.3178.2-178.2174.10111.8L566 D568 V609 E610 S615 F616 L617L566-K613 HydrophobicContact CD1-CB 4.32Å; L566-K613 HydrophobicContact CD1-CG 3.9Å; L566-K613 HydrophobicContact CD2-CD 4.2Å; L566-K613 HydrophobicContact CD2-CG 4.02Å; D568-K613 WeakPolarHBondContact OD1-CE 3.4Å; D568-K613 IonicContact OD1-NZ 2.7Å; D568-K613 PolarHBondContact OD1-NZ 3.33Å; D568-K613 IonicContact OD2-NZ 3.58Å; D568-K613 PolarHBondContact OD2-NZ 3.42Å; V609-K613 HydrophobicContact CG1-CD 4.3Å; V609-K613 HydrophobicContact CG1-CG 4.4Å; V609-K613 WeakPolarHBondContact O-CG 3.49Å; V609-K613 PolarHBondContact O-N 3.45Å; E610-K613 PolarHBondContact O-N 3.45Å; E610-K613 IonicContact OE1-NZ 3.27Å; E610-K613 PolarHBondContact OE1-NZ 2.95Å; K613-S615 PolarHBondContact O-N 3.04Å; K613-F616 PolarHBondContact O-N 3.13Å; K613-F616 VanDerWaalsContact O-N 3.12Å; K613-L617 WeakPolarHBondContact O-CG 3.37Å; K613-L617 PolarHBondContact O-N 3.32Å
614A83.1Confident83Confident45 Ų4563.6 Ų63.637%0.37233%0.331SS..Hα-helixtrans-59.9-35174.300000112.3E610 W612 R618E610-A614 WeakPolarHBondContact O-CB 3.44Å; E610-A614 PolarHBondContact O-N 3.37Å; W612-A614 VanDerWaalsContact C-N 3.34Å; W612-A614 PolarHBondContact O-N 2.99Å; A614-R618 WeakPolarHBondContact O-CG 3.36Å; A614-R618 PolarHBondContact O-N 3.33Å; A614-R618 VanDerWaalsContact O-N 3.1Å
615S87.6Confident82.4Confident0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-71.4-37.2175.1-58.40000112.6R516 S611 W612 K613 R618 A619R516-S615 WeakPolarHBondContact CD-OG 3.43Å; S611-S615 PolarHBondContact O-N 2.65Å; S611-S615 VanDerWaalsContact O-N 3.09Å; S611-S615 PolarHBondContact O-OG 3.26Å; W612-S615 CarbonylContact O-C 3.35Å; W612-S615 WeakPolarHBondContact O-CA 3.43Å; W612-S615 WeakPolarHBondContact O-CB 3.39Å; W612-S615 PolarHBondContact O-N 3.08Å; K613-S615 PolarHBondContact O-N 3.04Å; S615-R618 PolarHBondContact O-N 3.39Å; S615-R618 PolarHBondContact OG-NH2 3.39Å; S615-A619 PolarHBondContact O-N 2.79Å
616F88Confident80.9Confident0 Ų070.5 Ų70.50%036%0.356CS..Hα-helixtrans-67-38.6172-80.8-68.6000112.8L539 I544 L561 L566 F582 L584 L601 W612 K613 R618 A619 G620 V621L539-F616 HydrophobicContact CD1-CD1 3.89Å; L539-F616 HydrophobicContact CD1-CE1 3.65Å; L539-F616 HydrophobicContact CD1-CZ 4.41Å; L539-F616 HydrophobicContact CD2-CD1 4.16Å; L539-F616 HydrophobicContact CD2-CE1 4.36Å; L539-F616 HydrophobicContact CD2-CG 4.35Å; I544-F616 HydrophobicContact CB-CE1 4.48Å; I544-F616 HydrophobicContact CD1-CE1 3.77Å; I544-F616 HydrophobicContact CD1-CE2 4.4Å; I544-F616 HydrophobicContact CD1-CZ 3.33Å; L561-F616 HydrophobicContact CD2-CD1 4.44Å; L561-F616 HydrophobicContact CD2-CE1 4.11Å; L566-F616 HydrophobicContact CD1-CB 4.11Å; L566-F616 HydrophobicContact CD1-CD2 4.22Å; L566-F616 HydrophobicContact CD1-CG 4.36Å; F582-F616 AromaticContact CE2-CD2 3.92Å; F582-F616 HydrophobicContact CE2-CD2 3.92Å; F582-F616 AromaticContact CE2-CE2 3.63Å; F582-F616 HydrophobicContact CE2-CE2 3.63Å; F582-F616 HydrophobicContact CE2-CZ 4.48Å; F582-F616 HydrophobicContact CZ-CD2 4.16Å; F582-F616 AromaticContact CZ-CE2 3.72Å; F582-F616 HydrophobicContact CZ-CE2 3.72Å; L584-F616 HydrophobicContact CD1-CE1 3.72Å; L584-F616 HydrophobicContact CD1-CZ 3.78Å; L584-F616 HydrophobicContact CD2-CD1 4.25Å; L584-F616 HydrophobicContact CD2-CE1 4.13Å; L584-F616 HydrophobicContact CD2-CZ 4.34Å; L584-F616 HydrophobicContact CG-CZ 4.49Å; L601-F616 HydrophobicContact CD1-CZ 4.39Å; W612-F616 HydrophobicContact CE3-CE2 4.36Å; W612-F616 WeakPolarHBondContact O-CD2 3.32Å; W612-F616 PolarHBondContact O-N 2.84Å; K613-F616 PolarHBondContact O-N 3.13Å; K613-F616 VanDerWaalsContact O-N 3.12Å; F616-R618 VanDerWaalsContact C-N 3.32Å; F616-R618 PolarHBondContact O-N 2.96Å; F616-A619 CarbonylContact O-C 3.49Å; F616-A619 WeakPolarHBondContact O-CA 3.37Å; F616-A619 WeakPolarHBondContact O-CB 3.44Å; F616-A619 PolarHBondContact O-N 2.99Å; F616-G620 PolarHBondContact O-N 3.07Å; F616-V621 CarbonylContact C-O 3.46Å; F616-V621 HydrophobicContact CB-CB 4.16Å; F616-V621 HydrophobicContact CD1-CB 4.38Å; F616-V621 HydrophobicContact CD1-CG2 4.34Å; F616-V621 PolarHBondContact O-N 3.32Å
617L83.1Confident78.9Confident72 Ų7275.7 Ų75.738%0.37738%0.375SS..Hα-helixtrans-57.1-46.1170.7-77.6172.2000111.1K613 A619 G620 Y622 P623K613-L617 WeakPolarHBondContact O-CG 3.37Å; K613-L617 PolarHBondContact O-N 3.32Å; L617-A619 PolarHBondContact O-N 2.86Å; L617-G620 PolarHBondContact O-N 2.82Å; L617-Y622 HydrophobicContact CD2-CD1 3.64Å; L617-Y622 HydrophobicContact CD2-CE1 4.25Å; L617-Y622 HydrophobicContact CD2-CG 4.42Å; L617-P623 VanDerWaalsContact CD2-CD 3.41Å; L617-P623 HydrophobicContact CD2-CG 4.43Å
618R73.3Confident76.6Confident147 Ų14773.9 Ų73.956%0.55538%0.375SS*.Hα-helixtrans-65.1-22.3173.1-70.5-173.5-60.9-151.1-0.2113.6R508 A614 S615 F616 G620R508-R618 PolarHBondContact NH1-O 3.48Å; R508-R618 PolarHBondContact NH2-O 2.83Å; R508-R618 VanDerWaalsContact NH2-O 3.08Å; A614-R618 WeakPolarHBondContact O-CG 3.36Å; A614-R618 PolarHBondContact O-N 3.33Å; A614-R618 VanDerWaalsContact O-N 3.1Å; S615-R618 PolarHBondContact O-N 3.39Å; S615-R618 PolarHBondContact OG-NH2 3.39Å; F616-R618 VanDerWaalsContact C-N 3.32Å; F616-R618 PolarHBondContact O-N 2.96Å; R618-G620 VanDerWaalsContact C-N 3.33Å
619A77.1Confident74.1Confident9 Ų980.3 Ų80.37%0.07440%0.403CS..THydrogen-bonded Turntrans-85.6-4.9173.500000112.9I515 L539 L561 S615 F616 L617I515-A619 HydrophobicContact CD1-CB 3.62Å; L539-A619 HydrophobicContact CD1-CB 4.2Å; L539-A619 HydrophobicContact CD2-CB 4.34Å; L539-A619 HydrophobicContact CG-CB 4.43Å; L561-A619 HydrophobicContact CD1-CB 3.7Å; S615-A619 PolarHBondContact O-N 2.79Å; F616-A619 CarbonylContact O-C 3.49Å; F616-A619 WeakPolarHBondContact O-CA 3.37Å; F616-A619 WeakPolarHBondContact O-CB 3.44Å; F616-A619 PolarHBondContact O-N 2.99Å; L617-A619 PolarHBondContact O-N 2.86Å
620G78.6Confident71.8Confident40 Ų4089.1 Ų89.141%0.41244%0.444SS..THydrogen-bonded Turntrans91.410.1179.600000114.9F616 L617 R618 Y622F616-G620 PolarHBondContact O-N 3.07Å; L617-G620 PolarHBondContact O-N 2.82Å; R618-G620 VanDerWaalsContact C-N 3.33Å; G620-Y622 VanDerWaalsContact O-CD2 3.26Å; G620-Y622 WeakPolarHBondContact O-CD2 3.23Å; G620-Y622 VanDerWaalsContact O-CE2 3.3Å; G620-Y622 WeakPolarHBondContact O-CE2 3.33Å
621V85.1Confident69.3Low2 Ų292.7 Ų92.71%0.01247%0.467CS..  trans-96109.3175.8179.40000108.7L561 L566 L584 F616L561-V621 HydrophobicContact CB-CG2 3.94Å; L561-V621 HydrophobicContact CD1-CG2 4.36Å; L561-V621 HydrophobicContact CD2-CG2 4.15Å; L561-V621 HydrophobicContact CG-CG2 4.36Å; L566-V621 HydrophobicContact CB-CG1 4.16Å; L584-V621 HydrophobicContact CD2-CG1 3.99Å; F616-V621 CarbonylContact C-O 3.46Å; F616-V621 HydrophobicContact CB-CB 4.16Å; F616-V621 HydrophobicContact CD1-CB 4.38Å; F616-V621 HydrophobicContact CD1-CG2 4.34Å; F616-V621 PolarHBondContact O-N 3.32Å
622Y82Confident66.8Low147 Ų14793.2 Ų93.258%0.57648%0.48SS*.PPolyproline II helixtrans-97.2148.4-174.3-61.4-83.1000112.7L566 L617 G620L566-Y622 PolarHBondContact N-O 2.97Å; L617-Y622 HydrophobicContact CD2-CD1 3.64Å; L617-Y622 HydrophobicContact CD2-CE1 4.25Å; L617-Y622 HydrophobicContact CD2-CG 4.42Å; G620-Y622 VanDerWaalsContact O-CD2 3.26Å; G620-Y622 WeakPolarHBondContact O-CD2 3.23Å; G620-Y622 VanDerWaalsContact O-CE2 3.3Å; G620-Y622 WeakPolarHBondContact O-CE2 3.33Å
623P83.3Confident63.9Low70 Ų70101.1 Ų101.146%0.45552%0.523SS..BIsolated β-bridgetrans-64.2147.4170.627.1-33.2000110.7L566 L617 K625L566-P623 CarbonylContact O-C 3.54Å; L566-P623 VanDerWaalsContact O-CA 3.26Å; L566-P623 WeakPolarHBondContact O-CA 3.24Å; L617-P623 VanDerWaalsContact CD2-CD 3.41Å; L617-P623 HydrophobicContact CD2-CG 4.43Å; P623-K625 PolarHBondContact O-N 3.17Å
624E81.5Confident61.5Low95 Ų95108.7 Ų108.744%0.44456%0.558SS.*PPolyproline II helixtrans-63.8121.8170.9-173164.5-135.600110L566 F585 Q626L566-E624 PolarHBondContact O-N 3.49Å; F585-E624 WeakPolarHBondContact CZ-OE2 3.27Å; E624-Q626 PolarHBondContact O-N 3.36Å
625K65.9Low59.1Low196 Ų196115.5 Ų115.585%0.85258%0.583SS**PPolyproline II helixtrans-70.7117.5175.7-71.4-176.7176.5-176.50108.7P623 E627P623-K625 PolarHBondContact O-N 3.17Å; K625-E627 PolarHBondContact O-N 3.27Å
626Q49.7Very low56.5Low169 Ų169119.1 Ų119.179%0.7962%0.62SS**  trans-75.6111.5165.8-76.5178.7-12.600108.5E624 T628E624-Q626 PolarHBondContact O-N 3.36Å; Q626-T628 PolarHBondContact O-N 3.15Å
627E37.1Very low53.7Low197 Ų197128.5 Ų128.592%0.92166%0.664SS**  trans-71.9109.7168.5-72.7179.4174.900108.5K625K625-E627 PolarHBondContact O-N 3.27Å
628T34Very low51.5Low127 Ų127134.6 Ų134.678%0.77969%0.69SS**  trans-112125.3169.7-21.70000107.8Q626Q626-T628 PolarHBondContact O-N 3.15Å
629Q33.3Very low49.3Very low194 Ų194132.7 Ų132.791%0.90770%0.699SS**  trans-63.6142.3-174.3-76.5169.8-9.400112.6
630E36.5Very low47.3Very low185 Ų185137.5 Ų137.586%0.86474%0.739SS**  trans-56.6145.7178.6-65.5171.9149.500113.5
631N30.8Very low45.1Very low173 Ų173141.2 Ų141.293%0.92576%0.758SS**  trans-152.4114.8144.5-97.6-22.5000110.6
632G33.3Very low42.9Very low64 Ų64150 Ų15066%0.6680%0.8SS**  trans44.9119.513400000122
633D31.4Very low40.8Very low170 Ų170150.3 Ų150.391%0.90981%0.806SS**  118.2134.2128.6-61.1-16.7000118.6
634E36.2Very low38.5Very low180 Ų180152.5 Ų152.584%0.84182%0.823SS**  trans-71.1145.7-169.5-59.5173142.500113.6
635E33Very low36.5Very low189 Ų189153.3 Ų153.388%0.88384%0.84SS**  169.9128.2113.3-91.6-173.8168.600112.9
636G33.6Very low36Very low75 Ų75147.4 Ų147.477%0.77382%0.823SS**  trans1.9128.6165.700000123.5
637Q28.1Very low36.9Very low198 Ų198143.3 Ų143.393%0.92581%0.806SS**  -155.3118.3121.3-119.416912.900112.1S639Q637-S639 PolarHBondContact O-N 3.49Å
638E37Very low38.8Very low200 Ų200138.2 Ų138.294%0.93579%0.79SS**  trans-63125.4173.9-73.1174.6140.800111.7
639S28.4Very low40.8Very low107 Ų107138 Ų13875%0.74878%0.78SS**  trans-148.395.6149.263.50000110.3Q637 S641Q637-S639 PolarHBondContact O-N 3.49Å; S639-S641 PolarHBondContact O-N 2.81Å
640A34.3Very low43.1Very low110 Ų110129.7 Ų129.791%0.90974%0.742SS**  trans41.461.6148.600000117.6
641S32.9Very low45.3Very low117 Ų117126.2 Ų126.282%0.81873%0.726SS**  trans-108.771.6162.962.10000110.6S639S639-S641 PolarHBondContact O-N 2.81Å
642E39.6Very low47.6Very low188 Ų188121.2 Ų121.288%0.87969%0.694SS**  trans-131.390.7162.4-79.9-167.3165.400109.4
643E37.6Very low50Low152 Ų152120.1 Ų120.171%0.7167%0.671SS**  trans-178.165.5137.3-99.5-165.7154.500108.1R389R389-E643 IonicContact CZ-OE1 3.63Å; R389-E643 IonicContact NH1-OE1 2.85Å; R389-E643 PolarHBondContact NH1-OE1 3.5Å; R389-E643 IonicContact NH2-OE1 2.76Å; R389-E643 PolarHBondContact NH2-OE1 3.31Å
644S34.8Very low52.7Low117 Ų117112.6 Ų112.682%0.81863%0.632SS**  trans-134.139.9162.874.10000111.6
645S39.5Very low55.1Low112 Ų112106.5 Ų106.578%0.78360%0.603SS**  trans-102.980.1153.966.40000107.4D647S645-D647 PolarHBondContact O-N 3.25Å
646S54.4Low57.6Low71 Ų7198.1 Ų98.150%0.49757%0.565SS.*  trans-63.3112175.4-40.80000108.7P648 E651S646-P648 WeakPolarHBondContact O-CD 3.47Å; S646-P648 VanDerWaalsContact O-N 3.14Å; S646-E651 WeakPolarHBondContact CB-OE1 3.48Å; S646-E651 PolarHBondContact OG-OE1 3.18Å
647D69.7Low60.3Low84 Ų8494.6 Ų94.645%0.44953%0.528SS..  trans-62.1110.2166.6173.24.9000107.9S645 Q649 L650 E651S645-D647 PolarHBondContact O-N 3.25Å; D647-Q649 PolarHBondContact O-N 3.47Å; D647-Q649 VanDerWaalsContact O-N 3.13Å; D647-Q649 VanDerWaalsContact OD1-CB 3.31Å; D647-Q649 WeakPolarHBondContact OD1-CB 3.31Å; D647-Q649 PolarHBondContact OD1-N 2.99Å; D647-L650 HydrophobicContact CB-CB 3.84Å; D647-L650 PolarHBondContact O-N 3.29Å; D647-E651 PolarHBondContact O-N 3.47Å
648P75.9Confident63.2Low89 Ų8986.6 Ų86.658%0.57849%0.49SS*.Hα-helixtrans-62.2-24.1-175.9-21.234.2000112.5S646 R652S646-P648 WeakPolarHBondContact O-CD 3.47Å; S646-P648 VanDerWaalsContact O-N 3.14Å; P648-R652 WeakPolarHBondContact O-CB 3.46Å; P648-R652 PolarHBondContact O-N 3.16Å
649Q75.8Confident65.6Low122 Ų12278.3 Ų78.357%0.5745%0.452SS*.Hα-helixtrans-74.9-41.7176.6-172171.8-14.500111D647 R652 Q653D647-Q649 PolarHBondContact O-N 3.47Å; D647-Q649 VanDerWaalsContact O-N 3.13Å; D647-Q649 VanDerWaalsContact OD1-CB 3.31Å; D647-Q649 WeakPolarHBondContact OD1-CB 3.31Å; D647-Q649 PolarHBondContact OD1-N 2.99Å; Q649-R652 PolarHBondContact O-N 3.05Å; Q649-Q653 WeakPolarHBondContact O-CG 3.46Å; Q649-Q653 PolarHBondContact O-N 3.48Å
650L81.7Confident68.6Low20 Ų2073.2 Ų73.211%0.10542%0.416CS..Hα-helixtrans-64-46.1175.3-178.261.7000111.6I388 D647 R652 Q653 V654I388-L650 HydrophobicContact CB-CD1 4.11Å; I388-L650 HydrophobicContact CD1-CD1 3.97Å; I388-L650 HydrophobicContact CG2-CD1 3.65Å; D647-L650 HydrophobicContact CB-CB 3.84Å; D647-L650 PolarHBondContact O-N 3.29Å; L650-R652 VanDerWaalsContact C-N 3.26Å; L650-R652 PolarHBondContact O-N 3.24Å; L650-Q653 PolarHBondContact O-N 2.86Å; L650-Q653 VanDerWaalsContact O-N 3.15Å; L650-V654 HydrophobicContact CD1-CG2 4.35Å; L650-V654 HydrophobicContact CG-CG2 4.41Å; L650-V654 VanDerWaalsContact O-CG2 3.28Å; L650-V654 WeakPolarHBondContact O-CG2 3.34Å; L650-V654 PolarHBondContact O-N 3.12Å
651E82.7Confident71.3Confident112 Ų11268.1 Ų68.152%0.52337%0.374SS..Hα-helixtrans-57.9-40.5177.7-74.4-169.4159.200112.1S646 D647 V654 E655S646-E651 WeakPolarHBondContact CB-OE1 3.48Å; S646-E651 PolarHBondContact OG-OE1 3.18Å; D647-E651 PolarHBondContact O-N 3.47Å; E651-V654 PolarHBondContact O-N 3.01Å; E651-E655 PolarHBondContact O-N 2.81Å
652R80.7Confident74Confident69 Ų6965 Ų6526%0.2635%0.348SS..Hα-helixtrans-67.5-39.7177.2-175.6175165.5-150.3-23.5112.7S499 E500 P648 Q649 L650 T656S499-R652 PolarHBondContact OG-NE 2.97Å; E500-R652 IonicContact OE1-CZ 3.56Å; E500-R652 IonicContact OE1-NH1 3.57Å; E500-R652 IonicContact OE1-NH2 3.96Å; E500-R652 PolarHBondContact OE1-NH2 3.3Å; P648-R652 WeakPolarHBondContact O-CB 3.46Å; P648-R652 PolarHBondContact O-N 3.16Å; Q649-R652 PolarHBondContact O-N 3.05Å; L650-R652 VanDerWaalsContact C-N 3.26Å; L650-R652 PolarHBondContact O-N 3.24Å; R652-T656 WeakPolarHBondContact O-CB 3.42Å; R652-T656 PolarHBondContact O-N 2.97Å; R652-T656 PolarHBondContact O-OG1 2.85Å
653Q82.8Confident76.4Confident40 Ų4056.6 Ų56.619%0.18731%0.31CS..Hα-helixtrans-64.3-43174.2-73.6-180-6.300111.1I388 Q649 L650 E655 T656 I657I388-Q653 HydrophobicContact CD1-CB 3.98Å; Q649-Q653 WeakPolarHBondContact O-CG 3.46Å; Q649-Q653 PolarHBondContact O-N 3.48Å; L650-Q653 PolarHBondContact O-N 2.86Å; L650-Q653 VanDerWaalsContact O-N 3.15Å; Q653-E655 PolarHBondContact O-N 3.19Å; Q653-T656 PolarHBondContact O-N 3.11Å; Q653-I657 PolarHBondContact O-N 3.43Å
654V88.1Confident79.1Confident12 Ų1249.7 Ų49.77%0.07328%0.278CS..Hα-helixtrans-58.2-48.2176.2170.50000110.8R381 I384 I388 L650 E651 T656 I657 R658R381-V654 HydrophobicContact CB-CG1 4.03Å; R381-V654 HydrophobicContact CG-CG1 3.98Å; I384-V654 HydrophobicContact CB-CG1 4.25Å; I384-V654 HydrophobicContact CG2-CB 4.17Å; I384-V654 HydrophobicContact CG2-CG1 4.1Å; I384-V654 HydrophobicContact CG2-CG2 4.06Å; I388-V654 HydrophobicContact CD1-CG2 3.76Å; L650-V654 HydrophobicContact CD1-CG2 4.35Å; L650-V654 HydrophobicContact CG-CG2 4.41Å; L650-V654 VanDerWaalsContact O-CG2 3.28Å; L650-V654 WeakPolarHBondContact O-CG2 3.34Å; L650-V654 PolarHBondContact O-N 3.12Å; E651-V654 PolarHBondContact O-N 3.01Å; V654-T656 PolarHBondContact O-N 3.48Å; V654-I657 PolarHBondContact O-N 3.38Å; V654-R658 VanDerWaalsContact O-CB 3.3Å; V654-R658 WeakPolarHBondContact O-CB 3.38Å; V654-R658 PolarHBondContact O-N 2.68Å
655E86.6Confident81.8Confident52 Ų5245.4 Ų45.424%0.24325%0.245CC..Hα-helixtrans-68.5-34.9-179.6-172.653.9-138.800112.3R381 E651 Q653 R658 N659R381-E655 IonicContact CZ-OE2 3.47Å; R381-E655 IonicContact NE-OE2 3.82Å; R381-E655 IonicContact NH2-OE2 2.68Å; R381-E655 PolarHBondContact NH2-OE2 2.87Å; R381-E655 VanDerWaalsContact NH2-OE2 3.14Å; E651-E655 PolarHBondContact O-N 2.81Å; Q653-E655 PolarHBondContact O-N 3.19Å; E655-R658 VanDerWaalsContact CD-NE 3.34Å; E655-R658 PolarHBondContact O-N 2.95Å; E655-R658 IonicContact OE1-CZ 3.44Å; E655-R658 IonicContact OE1-NE 2.76Å; E655-R658 PolarHBondContact OE1-NE 3.35Å; E655-R658 IonicContact OE1-NH2 2.64Å; E655-R658 PolarHBondContact OE1-NH2 2.83Å; E655-R658 VanDerWaalsContact OE1-NH2 3.08Å; E655-R658 IonicContact OE2-NE 3.47Å; E655-R658 PolarHBondContact OE2-NE 2.81Å; E655-N659 PolarHBondContact O-N 2.83Å; E655-N659 PolarHBondContact O-ND2 3.36Å; E655-N659 PolarHBondContact OE1-ND2 3.3Å
656T86.1Confident84.3Confident13 Ų1347.2 Ų47.28%0.0824%0.238CC..Hα-helixtrans-63.1-50.5174.7-56.70000110.9A495 Q496 S499 R652 Q653 V654 R658 N659 L660A495-T656 HydrophobicContact CB-CG2 4.04Å; Q496-T656 HydrophobicContact CB-CG2 4.36Å; S499-T656 WeakPolarHBondContact CB-OG1 3.49Å; S499-T656 PolarHBondContact OG-OG1 3.2Å; R652-T656 WeakPolarHBondContact O-CB 3.42Å; R652-T656 PolarHBondContact O-N 2.97Å; R652-T656 PolarHBondContact O-OG1 2.85Å; Q653-T656 PolarHBondContact O-N 3.11Å; V654-T656 PolarHBondContact O-N 3.48Å; T656-R658 VanDerWaalsContact C-N 3.34Å; T656-R658 PolarHBondContact O-N 3.45Å; T656-N659 PolarHBondContact O-N 3.45Å; T656-L660 HydrophobicContact CG2-CD1 4.26Å; T656-L660 WeakPolarHBondContact O-CG 3.38Å; T656-L660 PolarHBondContact O-N 3.18Å; T656-L660 VanDerWaalsContact O-N 3.12Å
657I88.8Confident86.2Confident1 Ų144.5 Ų44.51%0.00522%0.218CC..Hα-helixtrans-62.6-41.9177.8-70.4160.3000110.4I384 I388 A404 F405 Q653 V654 N659 L660 V661I384-I657 HydrophobicContact CD1-CG2 4.17Å; I384-I657 HydrophobicContact CG1-CG2 4.07Å; I384-I657 HydrophobicContact CG2-CB 3.83Å; I384-I657 HydrophobicContact CG2-CD1 4.06Å; I384-I657 HydrophobicContact CG2-CG2 3.75Å; I388-I657 HydrophobicContact CD1-CD1 3.74Å; I388-I657 HydrophobicContact CG1-CD1 3.78Å; A404-I657 HydrophobicContact CB-CD1 3.66Å; F405-I657 HydrophobicContact CB-CG2 4.32Å; Q653-I657 PolarHBondContact O-N 3.43Å; V654-I657 PolarHBondContact O-N 3.38Å; I657-N659 VanDerWaalsContact C-N 3.34Å; I657-N659 PolarHBondContact O-N 3.19Å; I657-L660 PolarHBondContact O-N 3.02Å; I657-L660 VanDerWaalsContact O-N 3.12Å; I657-V661 HydrophobicContact CG2-CG2 3.92Å; I657-V661 VanDerWaalsContact O-CG2 3.25Å; I657-V661 WeakPolarHBondContact O-CG2 3.43Å; I657-V661 PolarHBondContact O-N 3.42Å
658R90.3Very high87.4Confident31 Ų3140.5 Ų40.512%0.11720%0.197CC..Hα-helixtrans-55.7-47.9176.6-169.3-1547475.68.2111.9L380 I384 V654 E655 T656 L660 V661 D662L380-R658 HydrophobicContact CD2-CG 4.33Å; I384-R658 HydrophobicContact CD1-CB 3.89Å; I384-R658 HydrophobicContact CD1-CG 4.38Å; V654-R658 VanDerWaalsContact O-CB 3.3Å; V654-R658 WeakPolarHBondContact O-CB 3.38Å; V654-R658 PolarHBondContact O-N 2.68Å; E655-R658 VanDerWaalsContact CD-NE 3.34Å; E655-R658 PolarHBondContact O-N 2.95Å; E655-R658 IonicContact OE1-CZ 3.44Å; E655-R658 IonicContact OE1-NE 2.76Å; E655-R658 PolarHBondContact OE1-NE 3.35Å; E655-R658 IonicContact OE1-NH2 2.64Å; E655-R658 PolarHBondContact OE1-NH2 2.83Å; E655-R658 VanDerWaalsContact OE1-NH2 3.08Å; E655-R658 IonicContact OE2-NE 3.47Å; E655-R658 PolarHBondContact OE2-NE 2.81Å; T656-R658 VanDerWaalsContact C-N 3.34Å; T656-R658 PolarHBondContact O-N 3.45Å; R658-L660 VanDerWaalsContact C-N 3.31Å; R658-L660 PolarHBondContact O-N 2.92Å; R658-V661 PolarHBondContact O-N 2.77Å; R658-D662 IonicContact CZ-OD2 3.64Å; R658-D662 IonicContact NH1-OD1 3.55Å; R658-D662 IonicContact NH1-OD2 2.72Å; R658-D662 PolarHBondContact NH1-OD2 2.85Å; R658-D662 IonicContact NH2-OD2 2.9Å; R658-D662 WeakPolarHBondContact O-CB 3.15Å; R658-D662 PolarHBondContact O-N 2.66Å
659N87.9Confident88.1Confident26 Ų2637.8 Ų37.814%0.13918%0.179CC..Hα-helixtrans-62.6-37.4177.8-77.5-62.4000112.7I490 A495 E655 T656 I657 S663I490-N659 HydrophobicContact CD1-CB 4.33Å; A495-N659 HydrophobicContact CB-CB 4.43Å; E655-N659 PolarHBondContact O-N 2.83Å; E655-N659 PolarHBondContact O-ND2 3.36Å; E655-N659 PolarHBondContact OE1-ND2 3.3Å; T656-N659 PolarHBondContact O-N 3.45Å; I657-N659 VanDerWaalsContact C-N 3.34Å; I657-N659 PolarHBondContact O-N 3.19Å; N659-S663 WeakPolarHBondContact O-CB 3.37Å; N659-S663 PolarHBondContact O-N 3.01Å
660L90.4Very high88.9Confident0 Ų038.3 Ų38.30%018%0.179CC..Hα-helixtrans-68.6-46.8175.8-66.4167.7000111.3F405 F489 I490 F492 A495 T656 I657 R658 D662 S663 Y664F405-L660 HydrophobicContact CD2-CB 3.61Å; F405-L660 HydrophobicContact CE2-CB 3.65Å; F489-L660 HydrophobicContact CE1-CD2 4.3Å; F489-L660 HydrophobicContact CE2-CB 4.44Å; F489-L660 HydrophobicContact CE2-CD2 4.12Å; F489-L660 HydrophobicContact CZ-CB 4.34Å; F489-L660 HydrophobicContact CZ-CD2 3.62Å; I490-L660 HydrophobicContact CD1-CD2 4.42Å; I490-L660 HydrophobicContact CG1-CD2 4.16Å; F492-L660 HydrophobicContact CD1-CD1 3.4Å; F492-L660 HydrophobicContact CE1-CD1 3.33Å; F492-L660 HydrophobicContact CG-CD1 4.1Å; F492-L660 HydrophobicContact CZ-CD1 3.99Å; A495-L660 HydrophobicContact CB-CD1 4.33Å; A495-L660 HydrophobicContact CB-CD2 3.53Å; A495-L660 HydrophobicContact CB-CG 3.67Å; T656-L660 HydrophobicContact CG2-CD1 4.26Å; T656-L660 WeakPolarHBondContact O-CG 3.38Å; T656-L660 PolarHBondContact O-N 3.18Å; T656-L660 VanDerWaalsContact O-N 3.12Å; I657-L660 PolarHBondContact O-N 3.02Å; I657-L660 VanDerWaalsContact O-N 3.12Å; R658-L660 VanDerWaalsContact C-N 3.31Å; R658-L660 PolarHBondContact O-N 2.92Å; L660-D662 VanDerWaalsContact C-N 3.34Å; L660-D662 PolarHBondContact O-N 2.84Å; L660-S663 PolarHBondContact O-N 2.83Å; L660-Y664 WeakPolarHBondContact O-CB 3.46Å; L660-Y664 PolarHBondContact O-N 3.4Å
661V91.4Very high89.5Confident2 Ų239.9 Ų39.91%0.01219%0.19CC..Hα-helixtrans-56.2-49.9176.3171.60000109.7F405 I408 V409 I657 R658 S663 Y664 M665F405-V661 HydrophobicContact CD2-CG2 3.94Å; F405-V661 HydrophobicContact CE2-CG2 4.39Å; I408-V661 HydrophobicContact CB-CG2 4.13Å; I408-V661 HydrophobicContact CG2-CG1 4.01Å; I408-V661 HydrophobicContact CG2-CG2 3.7Å; V409-V661 HydrophobicContact CG2-CB 4.4Å; V409-V661 HydrophobicContact CG2-CG1 4.41Å; V409-V661 HydrophobicContact CG2-CG2 4Å; I657-V661 HydrophobicContact CG2-CG2 3.92Å; I657-V661 VanDerWaalsContact O-CG2 3.25Å; I657-V661 WeakPolarHBondContact O-CG2 3.43Å; I657-V661 PolarHBondContact O-N 3.42Å; R658-V661 PolarHBondContact O-N 2.77Å; V661-S663 VanDerWaalsContact C-N 3.34Å; V661-S663 PolarHBondContact O-N 3.2Å; V661-Y664 PolarHBondContact O-N 3.21Å; V661-M665 HydrophobicContact CG1-CG 4.13Å; V661-M665 VanDerWaalsContact O-CB 3.28Å; V661-M665 WeakPolarHBondContact O-CB 3.47Å; V661-M665 VanDerWaalsContact O-CG 3.29Å; V661-M665 WeakPolarHBondContact O-CG 3.37Å; V661-M665 PolarHBondContact O-N 3.42Å
662D88.7Confident90.1Very high52 Ų5234.8 Ų34.828%0.27817%0.166SC..Hα-helixtrans-58.3-44.8177.1-85.56.9000112.6R658 L660 K666R658-D662 IonicContact CZ-OD2 3.64Å; R658-D662 IonicContact NH1-OD1 3.55Å; R658-D662 IonicContact NH1-OD2 2.72Å; R658-D662 PolarHBondContact NH1-OD2 2.85Å; R658-D662 IonicContact NH2-OD2 2.9Å; R658-D662 WeakPolarHBondContact O-CB 3.15Å; R658-D662 PolarHBondContact O-N 2.66Å; L660-D662 VanDerWaalsContact C-N 3.34Å; L660-D662 PolarHBondContact O-N 2.84Å; D662-K666 VanDerWaalsContact O-CG 3.27Å; D662-K666 WeakPolarHBondContact O-CG 3.18Å; D662-K666 PolarHBondContact O-N 3.43Å; D662-K666 VanDerWaalsContact O-N 3.14Å
663S90.9Very high90.7Very high12 Ų1235.6 Ų35.68%0.08417%0.169CC..Hα-helixtrans-63.8-45179.5-171.10000111.2I490 N659 L660 V661I490-S663 PolarHBondContact N-OG 3.46Å; N659-S663 WeakPolarHBondContact O-CB 3.37Å; N659-S663 PolarHBondContact O-N 3.01Å; L660-S663 PolarHBondContact O-N 2.83Å; V661-S663 VanDerWaalsContact C-N 3.34Å; V661-S663 PolarHBondContact O-N 3.2Å
664Y94.1Very high91.2Very high7 Ų737.3 Ų37.33%0.02718%0.18CC..Hα-helixtrans-70.7-44.3-178.6-163.6-95.2000111.6F405 V409 I413 M482 N483 F489 L660 V661 K666 I667 V668F405-Y664 HydrophobicContact CZ-CD2 4.26Å; F405-Y664 HydrophobicContact CZ-CG 4Å; V409-Y664 HydrophobicContact CG1-CD1 3.42Å; V409-Y664 VanDerWaalsContact CG1-CD1 3.42Å; V409-Y664 HydrophobicContact CG1-CE1 3.75Å; V409-Y664 HydrophobicContact CG1-CG 4.43Å; V409-Y664 HydrophobicContact CG2-CD1 4.31Å; I413-Y664 HydrophobicContact CD1-CE1 4.1Å; M482-Y664 VanDerWaalsContact CA-OH 3.25Å; M482-Y664 WeakPolarHBondContact CA-OH 3.43Å; M482-Y664 HydrophobicContact CB-CE1 4.43Å; M482-Y664 HydrophobicContact CB-CE2 4.39Å; M482-Y664 HydrophobicContact CG-CE1 4.27Å; N483-Y664 PolarHBondContact N-OH 3.37Å; N483-Y664 VanDerWaalsContact N-OH 3.09Å; F489-Y664 HydrophobicContact CD2-CD2 4.02Å; F489-Y664 HydrophobicContact CE2-CD2 4.13Å; L660-Y664 WeakPolarHBondContact O-CB 3.46Å; L660-Y664 PolarHBondContact O-N 3.4Å; V661-Y664 PolarHBondContact O-N 3.21Å; Y664-K666 VanDerWaalsContact C-N 3.26Å; Y664-K666 PolarHBondContact O-N 3.38Å; Y664-I667 WeakPolarHBondContact O-CB 3.44Å; Y664-I667 PolarHBondContact O-N 3.41Å; Y664-V668 HydrophobicContact CD1-CG2 3.82Å; Y664-V668 HydrophobicContact CE1-CG2 3.5Å; Y664-V668 VanDerWaalsContact CE1-CG2 3.5Å; Y664-V668 PolarHBondContact O-N 3.12Å; Y664-V668 VanDerWaalsContact O-N 3.11Å
665M92Very high91.6Very high27 Ų2740.3 Ų40.313%0.13319%0.194CC..Hα-helixtrans-63-30.4178.7-74.4-55.3-58.700113Q412 I413 L416 V661 I667 T669Q412-M665 HydrophobicContact CB-CE 3.81Å; Q412-M665 HydrophobicContact CB-CG 4.19Å; Q412-M665 HydrophobicContact CB-SD 3.63Å; I413-M665 HydrophobicContact CG1-CE 4.33Å; I413-M665 HydrophobicContact CG1-SD 3.73Å; L416-M665 HydrophobicContact CD1-CE 4.27Å; V661-M665 HydrophobicContact CG1-CG 4.13Å; V661-M665 VanDerWaalsContact O-CB 3.28Å; V661-M665 WeakPolarHBondContact O-CB 3.47Å; V661-M665 VanDerWaalsContact O-CG 3.29Å; V661-M665 WeakPolarHBondContact O-CG 3.37Å; V661-M665 PolarHBondContact O-N 3.42Å; M665-I667 VanDerWaalsContact C-N 3.32Å; M665-I667 PolarHBondContact O-N 3.34Å; M665-T669 WeakPolarHBondContact O-CB 3.46Å; M665-T669 PolarHBondContact O-N 3.23Å; M665-T669 PolarHBondContact O-OG1 3.11Å
666K91.1Very high92.1Very high149 Ų14938 Ų3865%0.64818%0.183SC*.Hα-helixtrans-61.6-39.8171.9-80.1170.3-175.2171.80112.2D662 Y664 K670D662-K666 VanDerWaalsContact O-CG 3.27Å; D662-K666 WeakPolarHBondContact O-CG 3.18Å; D662-K666 PolarHBondContact O-N 3.43Å; D662-K666 VanDerWaalsContact O-N 3.14Å; Y664-K666 VanDerWaalsContact C-N 3.26Å; Y664-K666 PolarHBondContact O-N 3.38Å; K666-K670 VanDerWaalsContact O-CB 3.3Å; K666-K670 WeakPolarHBondContact O-CB 3.49Å; K666-K670 PolarHBondContact O-N 3.37Å
667I94.1Very high92.6Very high14 Ų1438 Ų387%0.07218%0.183CC..Hα-helixtrans-66.3-54.6177.7-60.4163.1000109.2H486 D488 F489 Y664 M665 T669 K670 T671H486-I667 HydrophobicContact CB-CD1 4.23Å; H486-I667 WeakPolarHBondContact NE2-CG2 3.2Å; D488-I667 HydrophobicContact CB-CD1 4.12Å; D488-I667 HydrophobicContact CB-CG1 3.99Å; F489-I667 HydrophobicContact CB-CD1 3.86Å; Y664-I667 WeakPolarHBondContact O-CB 3.44Å; Y664-I667 PolarHBondContact O-N 3.41Å; M665-I667 VanDerWaalsContact C-N 3.32Å; M665-I667 PolarHBondContact O-N 3.34Å; I667-T669 VanDerWaalsContact C-N 3.3Å; I667-T669 PolarHBondContact O-N 3.07Å; I667-K670 WeakPolarHBondContact O-CB 3.37Å; I667-K670 PolarHBondContact O-N 3.1Å; I667-T671 PolarHBondContact O-N 3.17Å; I667-T671 PolarHBondContact O-OG1 3.08Å
668V94.6Very high93Very high1 Ų143.2 Ų43.21%0.00621%0.206CC..Hα-helixtrans-59.1-42-179.2-179.40000111.7I413 L416 E478 Y664 K670 T671 T672I413-V668 HydrophobicContact CD1-CG1 4.38Å; I413-V668 HydrophobicContact CD1-CG2 4Å; I413-V668 HydrophobicContact CG1-CG1 4.12Å; I413-V668 HydrophobicContact CG1-CG2 4.38Å; I413-V668 HydrophobicContact CG2-CG1 4.5Å; L416-V668 HydrophobicContact CD1-CG1 3.81Å; E478-V668 HydrophobicContact CB-CG1 4.34Å; E478-V668 HydrophobicContact CG-CG1 4.15Å; Y664-V668 HydrophobicContact CD1-CG2 3.82Å; Y664-V668 HydrophobicContact CE1-CG2 3.5Å; Y664-V668 VanDerWaalsContact CE1-CG2 3.5Å; Y664-V668 PolarHBondContact O-N 3.12Å; Y664-V668 VanDerWaalsContact O-N 3.11Å; V668-K670 VanDerWaalsContact C-N 3.34Å; V668-K670 PolarHBondContact O-N 3.17Å; V668-T671 PolarHBondContact O-N 3.07Å; V668-T672 WeakPolarHBondContact O-CB 3.25Å; V668-T672 PolarHBondContact O-N 2.91Å; V668-T672 PolarHBondContact O-OG1 3.28Å
669T92.3Very high93.3Very high31 Ų3142.4 Ų42.419%0.1921%0.206CC..Hα-helixtrans-64.2-39.2177.2-62.30000111.8I370 M665 I667 R673I370-T669 HydrophobicContact CG2-CG2 3.69Å; M665-T669 WeakPolarHBondContact O-CB 3.46Å; M665-T669 PolarHBondContact O-N 3.23Å; M665-T669 PolarHBondContact O-OG1 3.11Å; I667-T669 VanDerWaalsContact C-N 3.3Å; I667-T669 PolarHBondContact O-N 3.07Å; T669-R673 HydrophobicContact CG2-CG 4.32Å; T669-R673 VanDerWaalsContact O-CB 3.3Å; T669-R673 WeakPolarHBondContact O-CB 3.26Å; T669-R673 WeakPolarHBondContact O-CG 3.31Å; T669-R673 PolarHBondContact O-N 3.28Å
670K92.8Very high93.8Very high133 Ų13341.2 Ų41.258%0.57820%0.2SC*.Hα-helixtrans-64.2-46.5176.1-177.9-177.4174-170.70110.6D488 K666 I667 V668 R673 D674D488-K670 IonicContact OD2-NZ 3.72Å; D488-K670 PolarHBondContact OD2-NZ 2.91Å; K666-K670 VanDerWaalsContact O-CB 3.3Å; K666-K670 WeakPolarHBondContact O-CB 3.49Å; K666-K670 PolarHBondContact O-N 3.37Å; I667-K670 WeakPolarHBondContact O-CB 3.37Å; I667-K670 PolarHBondContact O-N 3.1Å; V668-K670 VanDerWaalsContact C-N 3.34Å; V668-K670 PolarHBondContact O-N 3.17Å; K670-R673 PolarHBondContact O-N 3.39Å; K670-D674 PolarHBondContact O-N 3.4Å
671T94.4Very high94.1Very high53 Ų5344.4 Ų44.433%0.32522%0.216SC..Hα-helixtrans-60.1-49175.5-55.70000111.4I667 V668 R673 D674 M675I667-T671 PolarHBondContact O-N 3.17Å; I667-T671 PolarHBondContact O-OG1 3.08Å; V668-T671 PolarHBondContact O-N 3.07Å; T671-R673 PolarHBondContact O-N 3.33Å; T671-D674 PolarHBondContact O-N 3.34Å; T671-D674 VanDerWaalsContact O-N 3.12Å; T671-M675 HydrophobicContact CG2-CG 4.02Å; T671-M675 WeakPolarHBondContact O-CB 3.45Å; T671-M675 WeakPolarHBondContact O-CG 3.33Å; T671-M675 PolarHBondContact O-N 3.3Å
672T94Very high94.4Very high6 Ų650 Ų504%0.03724%0.243CC..Hα-helixtrans-59.4-44.9179.9-58.90000111.7V420 I475 V668 D674 V676V420-T672 HydrophobicContact CG1-CG2 3.61Å; I475-T672 HydrophobicContact CD1-CG2 4.21Å; V668-T672 WeakPolarHBondContact O-CB 3.25Å; V668-T672 PolarHBondContact O-N 2.91Å; V668-T672 PolarHBondContact O-OG1 3.28Å; T672-D674 PolarHBondContact O-N 2.79Å; T672-V676 HydrophobicContact CG2-CG2 3.86Å; T672-V676 VanDerWaalsContact O-CB 3.31Å; T672-V676 WeakPolarHBondContact O-CB 3.34Å; T672-V676 VanDerWaalsContact O-CG2 3.25Å; T672-V676 WeakPolarHBondContact O-CG2 3.26Å; T672-V676 PolarHBondContact O-N 3.07Å
673R92.8Very high94.8Very high85 Ų8548.7 Ų48.732%0.32124%0.236SC..Hα-helixtrans-66-19.3179.6-75.7176.358.5-155.9-16.6114I370 T669 K670 T671 P677I370-R673 HydrophobicContact CD1-CG 3.61Å; T669-R673 HydrophobicContact CG2-CG 4.32Å; T669-R673 VanDerWaalsContact O-CB 3.3Å; T669-R673 WeakPolarHBondContact O-CB 3.26Å; T669-R673 WeakPolarHBondContact O-CG 3.31Å; T669-R673 PolarHBondContact O-N 3.28Å; K670-R673 PolarHBondContact O-N 3.39Å; T671-R673 PolarHBondContact O-N 3.33Å; R673-P677 WeakPolarHBondContact O-CD 3.39Å; R673-P677 WeakPolarHBondContact O-CG 3.47Å
674D93.7Very high95.2Very high77 Ų7748.1 Ų48.141%0.41223%0.232SC..Hα-helixtrans-95.3-45.6176.7-179.462.3000111.7K670 T671 T672 K678K670-D674 PolarHBondContact O-N 3.4Å; T671-D674 PolarHBondContact O-N 3.34Å; T671-D674 VanDerWaalsContact O-N 3.12Å; T672-D674 PolarHBondContact O-N 2.79Å; D674-K678 WeakPolarHBondContact O-CD 2.95Å; D674-K678 WeakPolarHBondContact O-CG 3.25Å; D674-K678 WeakPolarHBondContact OD1-CE 3.39Å; D674-K678 IonicContact OD1-NZ 2.67Å; D674-K678 PolarHBondContact OD1-NZ 3.35Å; D674-K678 WeakPolarHBondContact OD2-CE 3.19Å; D674-K678 IonicContact OD2-NZ 3.59Å; D674-K678 PolarHBondContact OD2-NZ 3.18Å
675M96.1Very high95.3Very high75 Ų7548 Ų4837%0.36923%0.231SC..Hα-helixtrans-73.3-36-175.2-68.8-58.4-66.500113.4L474 T671 K678 A679L474-M675 HydrophobicContact CD1-CB 4.31Å; T671-M675 HydrophobicContact CG2-CG 4.02Å; T671-M675 WeakPolarHBondContact O-CB 3.45Å; T671-M675 WeakPolarHBondContact O-CG 3.33Å; T671-M675 PolarHBondContact O-N 3.3Å; M675-K678 PolarHBondContact O-N 3.39Å; M675-A679 WeakPolarHBondContact O-CB 3.43Å; M675-A679 PolarHBondContact O-N 3.26Å
676V96.9Very high95.5Very high3 Ų350 Ų502%0.01824%0.243CC..Hα-helixtrans-63.7-51.9-178.2168.80000112.1L366 V420 I471 T672 K678 A679 I680L366-V676 HydrophobicContact CD2-CB 4.24Å; L366-V676 HydrophobicContact CD2-CG1 4.11Å; V420-V676 HydrophobicContact CB-CG1 4.39Å; V420-V676 HydrophobicContact CB-CG2 4.04Å; V420-V676 HydrophobicContact CG1-CG2 3.7Å; I471-V676 HydrophobicContact CD1-CG1 4.25Å; I471-V676 HydrophobicContact CG2-CG2 4.09Å; T672-V676 HydrophobicContact CG2-CG2 3.86Å; T672-V676 VanDerWaalsContact O-CB 3.31Å; T672-V676 WeakPolarHBondContact O-CB 3.34Å; T672-V676 VanDerWaalsContact O-CG2 3.25Å; T672-V676 WeakPolarHBondContact O-CG2 3.26Å; T672-V676 PolarHBondContact O-N 3.07Å; V676-K678 VanDerWaalsContact C-N 3.29Å; V676-K678 PolarHBondContact O-N 3.28Å; V676-A679 PolarHBondContact O-N 3.27Å; V676-I680 HydrophobicContact CG1-CD1 3.88Å; V676-I680 WeakPolarHBondContact O-CG1 3.48Å; V676-I680 PolarHBondContact O-N 3.03Å
677P97.1Very high95.8Very high12 Ų1245.2 Ų45.28%0.07822%0.224CC..Hα-helixtrans-56.5-40.8174.2-27.936.9000113.3F362 L366 R673 I680 M681F362-P677 HydrophobicContact CB-CB 4.1Å; F362-P677 HydrophobicContact CB-CG 3.99Å; F362-P677 HydrophobicContact CD1-CB 3.89Å; F362-P677 HydrophobicContact CD1-CG 4.07Å; F362-P677 HydrophobicContact CD2-CB 3.98Å; F362-P677 HydrophobicContact CE1-CB 4.25Å; F362-P677 HydrophobicContact CE2-CB 4.33Å; F362-P677 HydrophobicContact CG-CB 3.75Å; F362-P677 HydrophobicContact CG-CG 4.05Å; F362-P677 HydrophobicContact CZ-CB 4.46Å; L366-P677 HydrophobicContact CD2-CG 4.29Å; R673-P677 WeakPolarHBondContact O-CD 3.39Å; R673-P677 WeakPolarHBondContact O-CG 3.47Å; P677-I680 PolarHBondContact O-N 3.44Å; P677-M681 WeakPolarHBondContact O-CB 3.15Å; P677-M681 VanDerWaalsContact O-CG 3.29Å; P677-M681 WeakPolarHBondContact O-CG 3.44Å; P677-M681 PolarHBondContact O-N 2.94Å
678K97.4Very high95.9Very high112 Ų11244.5 Ų44.549%0.48722%0.221SC..Hα-helixtrans-63-44.1178.3-71.7172.7-179.2173.70112D674 M675 V676 M681 M682D674-K678 WeakPolarHBondContact O-CD 2.95Å; D674-K678 WeakPolarHBondContact O-CG 3.25Å; D674-K678 WeakPolarHBondContact OD1-CE 3.39Å; D674-K678 IonicContact OD1-NZ 2.67Å; D674-K678 PolarHBondContact OD1-NZ 3.35Å; D674-K678 WeakPolarHBondContact OD2-CE 3.19Å; D674-K678 IonicContact OD2-NZ 3.59Å; D674-K678 PolarHBondContact OD2-NZ 3.18Å; M675-K678 PolarHBondContact O-N 3.39Å; V676-K678 VanDerWaalsContact C-N 3.29Å; V676-K678 PolarHBondContact O-N 3.28Å; K678-M681 PolarHBondContact O-N 3.28Å; K678-M682 WeakPolarHBondContact O-CB 3.41Å; K678-M682 PolarHBondContact O-N 3.49Å
679A97.6Very high95.9Very high14 Ų1446.5 Ų46.512%0.11623%0.229CC..Hα-helixtrans-61.9-44.7176.700000111.6I471 M675 V676 M682 L683I471-A679 HydrophobicContact CD1-CB 4.23Å; I471-A679 HydrophobicContact CG1-CB 3.93Å; M675-A679 WeakPolarHBondContact O-CB 3.43Å; M675-A679 PolarHBondContact O-N 3.26Å; V676-A679 PolarHBondContact O-N 3.27Å; A679-M682 PolarHBondContact O-N 3.45Å; A679-L683 VanDerWaalsContact O-CB 3.25Å; A679-L683 WeakPolarHBondContact O-CB 3.37Å; A679-L683 WeakPolarHBondContact O-CG 3.44Å; A679-L683 PolarHBondContact O-N 3.09Å
680I98.1Very high96.1Very high0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-64.2-45.9177.6-66169.9000111.1F362 V424 V427 I471 V676 P677 M682 I684 I685F362-I680 HydrophobicContact CE1-CB 4.04Å; F362-I680 HydrophobicContact CE1-CD1 3.85Å; F362-I680 HydrophobicContact CE1-CG2 3.9Å; F362-I680 HydrophobicContact CZ-CB 4.05Å; F362-I680 HydrophobicContact CZ-CG2 3.75Å; V424-I680 HydrophobicContact CB-CD1 4.47Å; V424-I680 HydrophobicContact CG2-CD1 3.8Å; V424-I680 HydrophobicContact CG2-CG1 3.97Å; V427-I680 HydrophobicContact CB-CG2 4.13Å; V427-I680 HydrophobicContact CG1-CG2 3.65Å; V427-I680 HydrophobicContact CG2-CG2 4.23Å; I471-I680 HydrophobicContact CD1-CD1 4.37Å; I471-I680 HydrophobicContact CD1-CG1 3.88Å; V676-I680 HydrophobicContact CG1-CD1 3.88Å; V676-I680 WeakPolarHBondContact O-CG1 3.48Å; V676-I680 PolarHBondContact O-N 3.03Å; P677-I680 PolarHBondContact O-N 3.44Å; I680-M682 VanDerWaalsContact C-N 3.35Å; I680-M682 PolarHBondContact O-N 2.94Å; I680-I684 HydrophobicContact CG2-CD1 4.33Å; I680-I684 WeakPolarHBondContact O-CA 3.35Å; I680-I684 WeakPolarHBondContact O-CB 3.16Å; I680-I684 PolarHBondContact O-N 3.19Å; I680-I685 HydrophobicContact CG2-CD1 4.39Å; I680-I685 PolarHBondContact O-N 3.02Å
681M97.1Very high96.3Very high68 Ų6844 Ų4434%0.33522%0.22SC..Iπ-helixtrans-56.6-48.7176.8-78.8-64.2-59.500111.5F362 P677 K678 I685 N686F362-M681 HydrophobicContact CE2-CG 3.94Å; F362-M681 HydrophobicContact CE2-SD 3.95Å; F362-M681 HydrophobicContact CZ-CG 4.31Å; F362-M681 HydrophobicContact CZ-SD 4.47Å; P677-M681 WeakPolarHBondContact O-CB 3.15Å; P677-M681 VanDerWaalsContact O-CG 3.29Å; P677-M681 WeakPolarHBondContact O-CG 3.44Å; P677-M681 PolarHBondContact O-N 2.94Å; K678-M681 PolarHBondContact O-N 3.28Å; M681-I685 HydrophobicContact CE-CG2 4.35Å; M681-I685 PolarHBondContact O-N 3.19Å; M681-I685 HydrophobicContact SD-CB 4.29Å; M681-I685 HydrophobicContact SD-CD1 3.47Å; M681-I685 WeakPolarHBondContact SD-CD1 3.17Å; M681-I685 HydrophobicContact SD-CG1 4.45Å; M681-I685 HydrophobicContact SD-CG2 4.36Å; M681-N686 WeakPolarHBondContact O-CB 3.39Å; M681-N686 VanDerWaalsContact O-CG 3.26Å; M681-N686 PolarHBondContact O-N 3.4Å
682M97.3Very high96.4Very high119 Ų11941.5 Ų41.559%0.58621%0.205SC*.Iπ-helixtrans-70.7-51-178-177.1-177.177.600112.4K678 A679 I680K678-M682 WeakPolarHBondContact O-CB 3.41Å; K678-M682 PolarHBondContact O-N 3.49Å; A679-M682 PolarHBondContact O-N 3.45Å; I680-M682 VanDerWaalsContact C-N 3.35Å; I680-M682 PolarHBondContact O-N 2.94Å
683L97.5Very high96.3Very high25 Ų2544.4 Ų44.413%0.13122%0.22CC..Iπ-helixtrans-83.1-26.3-168.3-63.8174.8000113.3R463 C467 Q470 A679 N687R463-L683 PolarHBondContact NE-O 3.32Å; R463-L683 PolarHBondContact NH2-O 3.49Å; C467-L683 HydrophobicContact CB-CB 4.1Å; C467-L683 HydrophobicContact CB-CD1 4.27Å; Q470-L683 HydrophobicContact CB-CD1 3.83Å; Q470-L683 HydrophobicContact CG-CD1 3.91Å; A679-L683 VanDerWaalsContact O-CB 3.25Å; A679-L683 WeakPolarHBondContact O-CB 3.37Å; A679-L683 WeakPolarHBondContact O-CG 3.44Å; A679-L683 PolarHBondContact O-N 3.09Å; L683-N687 WeakPolarHBondContact O-CB 3.32Å
684I97.8Very high96.2Very high0 Ų043.2 Ų43.20%024%0.235CC..Iπ-helixtrans-111.7-62.7-177.8-59.5176.5000110.6V424 V428 L431 R463 C467 I680 A688V424-I684 HydrophobicContact CG1-CD1 3.75Å; V428-I684 HydrophobicContact CG2-CD1 3.99Å; V428-I684 HydrophobicContact CG2-CG2 4.46Å; L431-I684 HydrophobicContact CD2-CG2 3.83Å; R463-I684 HydrophobicContact CB-CG1 4.29Å; C467-I684 HydrophobicContact CB-CD1 3.67Å; C467-I684 HydrophobicContact CB-CG1 3.75Å; I680-I684 HydrophobicContact CG2-CD1 4.33Å; I680-I684 WeakPolarHBondContact O-CA 3.35Å; I680-I684 WeakPolarHBondContact O-CB 3.16Å; I680-I684 PolarHBondContact O-N 3.19Å; I684-A688 WeakPolarHBondContact O-CB 3.3Å; I684-A688 PolarHBondContact O-N 2.92Å
685I96.3Very high96.3Very high3 Ų344 Ų442%0.01524%0.236CC..Iπ-helixtrans-70.1-55-167-64.9167.6000111.5I339 I358 F362 V427 I680 M681 N687 A688 K689I339-I685 HydrophobicContact CG2-CG2 3.82Å; I358-I685 HydrophobicContact CD1-CD1 4.2Å; I358-I685 HydrophobicContact CG2-CD1 3.91Å; F362-I685 HydrophobicContact CZ-CD1 4.25Å; V427-I685 HydrophobicContact CG1-CD1 4.04Å; V427-I685 HydrophobicContact CG1-CG1 4.43Å; I680-I685 HydrophobicContact CG2-CD1 4.39Å; I680-I685 PolarHBondContact O-N 3.02Å; M681-I685 HydrophobicContact CE-CG2 4.35Å; M681-I685 PolarHBondContact O-N 3.19Å; M681-I685 HydrophobicContact SD-CB 4.29Å; M681-I685 HydrophobicContact SD-CD1 3.47Å; M681-I685 WeakPolarHBondContact SD-CD1 3.17Å; M681-I685 HydrophobicContact SD-CG1 4.45Å; M681-I685 HydrophobicContact SD-CG2 4.36Å; I685-N687 VanDerWaalsContact C-N 3.32Å; I685-N687 PolarHBondContact O-N 3.5Å; I685-A688 PolarHBondContact O-N 3.45Å; I685-K689 PolarHBondContact O-N 2.98Å
686N96.1Very high96.3Very high70 Ų7040.4 Ų40.437%0.37422%0.218SC..Iπ-helixtrans-64.5-40.6179.1-67.7-7000110.7M681 A688 K689 D690M681-N686 WeakPolarHBondContact O-CB 3.39Å; M681-N686 VanDerWaalsContact O-CG 3.26Å; M681-N686 PolarHBondContact O-N 3.4Å; N686-A688 PolarHBondContact O-N 2.91Å; N686-K689 WeakPolarHBondContact O-CB 3.48Å; N686-K689 PolarHBondContact O-N 3.23Å; N686-D690 VanDerWaalsContact O-CG 3.23Å; N686-D690 PolarHBondContact O-N 2.81Å
687N97.4Very high96Very high48 Ų4842.5 Ų42.526%0.25723%0.229SC..Hα-helixtrans-65-37.7177.2-168.6-94.1000113H459 R463 L683 I685 F691H459-N687 PolarHBondContact CE1-OD1 3.05Å; H459-N687 PolarHBondContact NE2-OD1 3.4Å; R463-N687 WeakPolarHBondContact CD-OD1 3.11Å; R463-N687 WeakPolarHBondContact CG-OD1 3.43Å; R463-N687 PolarHBondContact NE-OD1 3.25Å; L683-N687 WeakPolarHBondContact O-CB 3.32Å; I685-N687 VanDerWaalsContact C-N 3.32Å; I685-N687 PolarHBondContact O-N 3.5Å; N687-F691 VanDerWaalsContact O-CB 3.31Å; N687-F691 WeakPolarHBondContact O-CB 3.48Å; N687-F691 PolarHBondContact O-N 2.71Å
688A96.9Very high95.7Very high0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-67-39.9173.400000111.5F335 L431 V460 I684 I685 N686 F691 I692F335-A688 HydrophobicContact CZ-CB 4.5Å; L431-A688 HydrophobicContact CD2-CB 4.36Å; V460-A688 HydrophobicContact CG2-CB 4.14Å; I684-A688 WeakPolarHBondContact O-CB 3.3Å; I684-A688 PolarHBondContact O-N 2.92Å; I685-A688 PolarHBondContact O-N 3.45Å; N686-A688 PolarHBondContact O-N 2.91Å; A688-F691 PolarHBondContact O-N 2.94Å; A688-I692 WeakPolarHBondContact O-CB 3.46Å; A688-I692 WeakPolarHBondContact O-CD1 3.5Å; A688-I692 WeakPolarHBondContact O-CG1 3.46Å; A688-I692 PolarHBondContact O-N 3.18Å
689K94.9Very high95.4Very high42 Ų4243.7 Ų43.718%0.18325%0.246CC..Hα-helixtrans-58.6-50.1173.3-178.3-176.7177.1178.60111.1F335 E336 E340 I685 N686 F691 I692 N693F335-K689 HydrophobicContact CE1-CB 4.24Å; E336-K689 WeakPolarHBondContact OE1-CE 3.34Å; E336-K689 IonicContact OE1-NZ 3.37Å; E336-K689 PolarHBondContact OE1-NZ 3.26Å; E340-K689 IonicContact OE1-NZ 2.64Å; E340-K689 PolarHBondContact OE1-NZ 3.28Å; I685-K689 PolarHBondContact O-N 2.98Å; N686-K689 WeakPolarHBondContact O-CB 3.48Å; N686-K689 PolarHBondContact O-N 3.23Å; K689-F691 VanDerWaalsContact C-N 3.33Å; K689-F691 PolarHBondContact O-N 2.91Å; K689-I692 PolarHBondContact O-N 3.19Å; K689-N693 WeakPolarHBondContact O-CB 3.4Å; K689-N693 VanDerWaalsContact O-CG 3.31Å; K689-N693 PolarHBondContact O-N 2.89Å
690D96.1Very high95.1Very high100 Ų10043 Ų4354%0.53524%0.241SC..Hα-helixtrans-62.7-40.4179.5-66-22.8000111.6N686 N693 G694N686-D690 VanDerWaalsContact O-CG 3.23Å; N686-D690 PolarHBondContact O-N 2.81Å; D690-N693 PolarHBondContact O-N 2.89Å; D690-G694 PolarHBondContact O-N 2.71Å
691F97.3Very high94.5Very high11 Ų1146.8 Ų46.85%0.04826%0.256CS..Hα-helixtrans-62.9-46.1175.2175.3-97.1000112.6I455 H459 N687 A688 K689 N693 E695 L696 H699I455-F691 HydrophobicContact CG2-CE1 3.83Å; I455-F691 HydrophobicContact CG2-CZ 3.62Å; H459-F691 HydrophobicContact CB-CD1 4.02Å; H459-F691 HydrophobicContact CB-CE1 3.86Å; H459-F691 HydrophobicContact CB-CG 4.42Å; H459-F691 HydrophobicContact CB-CZ 4.14Å; H459-F691 AromaticContact CD2-CD1 3.74Å; H459-F691 AromaticContact CD2-CG 3.58Å; H459-F691 AromaticContact CE1-CD2 3.7Å; H459-F691 AromaticContact CE1-CG 3.82Å; H459-F691 AromaticContact CG-CD1 3.77Å; H459-F691 AromaticContact CG-CD2 3.94Å; H459-F691 AromaticContact CG-CG 3.72Å; H459-F691 AromaticContact ND1-CD2 3.68Å; H459-F691 AromaticContact ND1-CE2 3.95Å; H459-F691 AromaticContact ND1-CG 3.91Å; H459-F691 WeakPolarHBondContact NE2-CB 3.27Å; H459-F691 AromaticContact NE2-CG 3.64Å; N687-F691 VanDerWaalsContact O-CB 3.31Å; N687-F691 WeakPolarHBondContact O-CB 3.48Å; N687-F691 PolarHBondContact O-N 2.71Å; A688-F691 PolarHBondContact O-N 2.94Å; K689-F691 VanDerWaalsContact C-N 3.33Å; K689-F691 PolarHBondContact O-N 2.91Å; F691-N693 VanDerWaalsContact C-N 3.27Å; F691-N693 PolarHBondContact O-N 2.87Å; F691-E695 HydrophobicContact CD2-CB 3.73Å; F691-E695 HydrophobicContact CE2-CB 3.91Å; F691-E695 PolarHBondContact O-N 2.86Å; F691-L696 HydrophobicContact CE1-CB 4.49Å; F691-L696 HydrophobicContact CE1-CD1 4.42Å; F691-L696 PolarHBondContact O-N 3.01Å; F691-H699 AromaticContact CE2-CD2 3.54Å; F691-H699 AromaticContact CE2-NE2 3.64Å; F691-H699 AromaticContact CZ-CD2 3.73Å
692I95.8Very high94Very high1 Ų147.6 Ų47.61%0.00527%0.273CS..Hα-helixtrans-62.6-36.7177.7-69.4165.2000110.9Q332 F335 I456 A688 K689 L696Q332-I692 HydrophobicContact CB-CG2 4.5Å; Q332-I692 HydrophobicContact CG-CG2 3.78Å; Q332-I692 PolarHBondContact NE2-O 3.25Å; F335-I692 HydrophobicContact CD1-CD1 3.86Å; F335-I692 HydrophobicContact CD2-CD1 3.9Å; F335-I692 HydrophobicContact CE1-CD1 3.82Å; F335-I692 HydrophobicContact CE2-CD1 3.86Å; F335-I692 HydrophobicContact CG-CD1 3.89Å; F335-I692 HydrophobicContact CZ-CD1 3.8Å; I456-I692 HydrophobicContact CD1-CD1 4.23Å; I456-I692 HydrophobicContact CD1-CG1 4.02Å; I456-I692 HydrophobicContact CG1-CG1 4.07Å; I456-I692 HydrophobicContact CG2-CD1 3.96Å; I456-I692 HydrophobicContact CG2-CG1 4.25Å; A688-I692 WeakPolarHBondContact O-CB 3.46Å; A688-I692 WeakPolarHBondContact O-CD1 3.5Å; A688-I692 WeakPolarHBondContact O-CG1 3.46Å; A688-I692 PolarHBondContact O-N 3.18Å; K689-I692 PolarHBondContact O-N 3.19Å; I692-L696 HydrophobicContact CG2-CD2 4.12Å
693N92.3Very high93.2Very high67 Ų6744.4 Ų44.436%0.35826%0.262SS..Hα-helixtrans-78.1-40.8-179.4-73.1-13.4000113.5Q332 K689 D690 F691Q332-N693 WeakPolarHBondContact CB-OD1 3.42Å; Q332-N693 WeakPolarHBondContact CG-OD1 3.25Å; Q332-N693 PolarHBondContact NE2-O 3.02Å; K689-N693 WeakPolarHBondContact O-CB 3.4Å; K689-N693 VanDerWaalsContact O-CG 3.31Å; K689-N693 PolarHBondContact O-N 2.89Å; D690-N693 PolarHBondContact O-N 2.89Å; F691-N693 VanDerWaalsContact C-N 3.27Å; F691-N693 PolarHBondContact O-N 2.87Å
694G91.6Very high91.7Very high61 Ų6146.4 Ų46.463%0.62929%0.289SS*.Hα-helixtrans-104.9-32.3-169.100000115.9D690D690-G694 PolarHBondContact O-N 2.71Å
695E95.1Very high90.7Very high92 Ų9249.6 Ų49.643%0.4331%0.306SS..THydrogen-bonded Turntrans-120.5-28.8-165.5-64.6-171.3-144.100113.9F691 L697 A698 H699F691-E695 HydrophobicContact CD2-CB 3.73Å; F691-E695 HydrophobicContact CE2-CB 3.91Å; F691-E695 PolarHBondContact O-N 2.86Å; E695-L697 VanDerWaalsContact C-N 3.28Å; E695-L697 PolarHBondContact O-N 2.81Å; E695-A698 WeakPolarHBondContact O-CB 3.32Å; E695-A698 PolarHBondContact O-N 2.86Å; E695-H699 PolarHBondContact O-CD2 2.76Å; E695-H699 PolarHBondContact O-N 2.91Å; E695-H699 VanDerWaalsContact O-N 3.07Å
696L94.9Very high89.9Confident0 Ų052.6 Ų52.60%032%0.32CS..Hα-helixtrans-52.8-44-176174.963.1000113.1I328 L331 T452 I455 I456 F691 I692 A698 H699 L700I328-L696 HydrophobicContact CG2-CD2 4.35Å; L331-L696 HydrophobicContact CD2-CD2 3.8Å; T452-L696 HydrophobicContact CG2-CD1 4.4Å; T452-L696 HydrophobicContact CG2-CD2 4.15Å; I455-L696 HydrophobicContact CB-CD1 4.22Å; I455-L696 HydrophobicContact CG2-CD1 3.77Å; I456-L696 HydrophobicContact CD1-CD1 4.34Å; I456-L696 HydrophobicContact CD1-CD2 3.86Å; I456-L696 HydrophobicContact CG1-CD1 3.87Å; I456-L696 HydrophobicContact CG1-CD2 4.18Å; F691-L696 HydrophobicContact CE1-CB 4.49Å; F691-L696 HydrophobicContact CE1-CD1 4.42Å; F691-L696 PolarHBondContact O-N 3.01Å; I692-L696 HydrophobicContact CG2-CD2 4.12Å; L696-A698 PolarHBondContact O-N 3.04Å; L696-H699 PolarHBondContact O-N 3.21Å; L696-L700 HydrophobicContact CD1-CD1 4.18Å; L696-L700 HydrophobicContact CD1-CG 4.37Å; L696-L700 HydrophobicContact CG-CD1 4.09Å; L696-L700 WeakPolarHBondContact O-CG 3.24Å; L696-L700 PolarHBondContact O-N 2.94Å
697L91.3Very high89Confident48 Ų4852.1 Ų52.125%0.25133%0.326SS..Hα-helixtrans-59.6-48.2178.9-174.165.9000110.7L325 I328 E695 H699 L700 Y701L325-L697 HydrophobicContact CD1-CD1 4.42Å; L325-L697 HydrophobicContact CD1-CD2 3.69Å; I328-L697 HydrophobicContact CD1-CD1 3.27Å; E695-L697 VanDerWaalsContact C-N 3.28Å; E695-L697 PolarHBondContact O-N 2.81Å; L697-H699 VanDerWaalsContact C-N 3.31Å; L697-H699 PolarHBondContact O-N 3.25Å; L697-L700 PolarHBondContact O-N 2.86Å; L697-L700 VanDerWaalsContact O-N 3.13Å; L697-Y701 HydrophobicContact CD1-CD2 4.07Å; L697-Y701 HydrophobicContact CD1-CE2 3.55Å; L697-Y701 HydrophobicContact CD2-CE2 4.22Å; L697-Y701 HydrophobicContact CG-CD2 3.89Å; L697-Y701 HydrophobicContact CG-CE2 3.63Å; L697-Y701 WeakPolarHBondContact O-CD2 3.35Å; L697-Y701 PolarHBondContact O-N 2.74Å
698A91Very high88.3Confident64 Ų6453.6 Ų53.653%0.52933%0.331SS..Hα-helixtrans-61.5-38.9179.700000112.1E695 L696 Y701 A702E695-A698 WeakPolarHBondContact O-CB 3.32Å; E695-A698 PolarHBondContact O-N 2.86Å; L696-A698 PolarHBondContact O-N 3.04Å; A698-Y701 PolarHBondContact O-N 2.92Å; A698-A702 WeakPolarHBondContact O-CB 3.28Å; A698-A702 PolarHBondContact O-N 2.98Å
699H92Very high87.8Confident84 Ų8454.2 Ų54.239%0.38933%0.334SS..Hα-helixtrans-63.3-39.7174.3-80.6-74.6000112.9I455 F691 E695 L696 L697 A702 S703I455-H699 HydrophobicContact CD1-CB 4.17Å; I455-H699 HydrophobicContact CG2-CB 4.11Å; F691-H699 AromaticContact CE2-CD2 3.54Å; F691-H699 AromaticContact CE2-NE2 3.64Å; F691-H699 AromaticContact CZ-CD2 3.73Å; E695-H699 PolarHBondContact O-CD2 2.76Å; E695-H699 PolarHBondContact O-N 2.91Å; E695-H699 VanDerWaalsContact O-N 3.07Å; L696-H699 PolarHBondContact O-N 3.21Å; L697-H699 VanDerWaalsContact C-N 3.31Å; L697-H699 PolarHBondContact O-N 3.25Å; H699-A702 PolarHBondContact O-N 3.16Å; H699-S703 PolarHBondContact O-N 3.39Å
700L90.4Very high87.3Confident0 Ų052.5 Ų52.50%033%0.327CS..Hα-helixtrans-69.3-33.4175-68.5165000112.1M324 I328 L448 E451 I455 L696 L697 A702 S703 M709M324-L700 HydrophobicContact CE-CB 3.32Å; M324-L700 HydrophobicContact CE-CD1 3.98Å; M324-L700 HydrophobicContact CE-CG 4.17Å; I328-L700 HydrophobicContact CD1-CD1 3.46Å; I328-L700 VanDerWaalsContact CD1-CD1 3.46Å; I328-L700 HydrophobicContact CG1-CD1 4.07Å; L448-L700 HydrophobicContact CD1-CD1 4.39Å; L448-L700 HydrophobicContact CD1-CD2 4.4Å; E451-L700 HydrophobicContact CB-CD2 4.28Å; E451-L700 HydrophobicContact CG-CD2 3.85Å; I455-L700 HydrophobicContact CD1-CD2 3.62Å; I455-L700 HydrophobicContact CD1-CG 4Å; L696-L700 HydrophobicContact CD1-CD1 4.18Å; L696-L700 HydrophobicContact CD1-CG 4.37Å; L696-L700 HydrophobicContact CG-CD1 4.09Å; L696-L700 WeakPolarHBondContact O-CG 3.24Å; L696-L700 PolarHBondContact O-N 2.94Å; L697-L700 PolarHBondContact O-N 2.86Å; L697-L700 VanDerWaalsContact O-N 3.13Å; L700-A702 VanDerWaalsContact C-N 3.33Å; L700-S703 PolarHBondContact O-OG 3.13Å; L700-M709 HydrophobicContact CD2-SD 4.31Å; L700-M709 WeakPolarHBondContact O-CE 3.41Å
701Y85.6Confident86.8Confident80 Ų8052.2 Ų52.231%0.31432%0.322SS..Hα-helixtrans-67.2-36171.9-84.6-84.4000112.2T321 L697 A698 S703 Q706T321-Y701 WeakPolarHBondContact CG2-OH 3.43Å; L697-Y701 HydrophobicContact CD1-CD2 4.07Å; L697-Y701 HydrophobicContact CD1-CE2 3.55Å; L697-Y701 HydrophobicContact CD2-CE2 4.22Å; L697-Y701 HydrophobicContact CG-CD2 3.89Å; L697-Y701 HydrophobicContact CG-CE2 3.63Å; L697-Y701 WeakPolarHBondContact O-CD2 3.35Å; L697-Y701 PolarHBondContact O-N 2.74Å; A698-Y701 PolarHBondContact O-N 2.92Å; Y701-S703 VanDerWaalsContact C-N 3.31Å; Y701-S703 PolarHBondContact O-N 3.28Å; Y701-Q706 HydrophobicContact CD1-CG 4.46Å
702A87.1Confident86.1Confident84 Ų8453.5 Ų53.569%0.69433%0.328SS*.Hα-helixtrans-74-15.6-17800000114.3A698 H699 L700 G704A698-A702 WeakPolarHBondContact O-CB 3.28Å; A698-A702 PolarHBondContact O-N 2.98Å; H699-A702 PolarHBondContact O-N 3.16Å; L700-A702 VanDerWaalsContact C-N 3.33Å; A702-G704 PolarHBondContact O-N 2.75Å
703S80.8Confident85.6Confident52 Ų5254.6 Ų54.636%0.36434%0.336SS..THydrogen-bonded Turntrans-71.3-11179.365.90000113.8H699 L700 Y701 D705 M709H699-S703 PolarHBondContact O-N 3.39Å; L700-S703 PolarHBondContact O-OG 3.13Å; Y701-S703 VanDerWaalsContact C-N 3.31Å; Y701-S703 PolarHBondContact O-N 3.28Å; S703-D705 PolarHBondContact O-N 3.38Å; S703-M709 VanDerWaalsContact OG-CE 3.28Å; S703-M709 WeakPolarHBondContact OG-CE 3.49Å
704G65.5Low85.2Confident67 Ų6755.3 Ų55.369%0.69135%0.351SS*.SBendtrans88.1-6.816200000116.9A702A702-G704 PolarHBondContact O-N 2.75Å
705D77.1Confident84.7Confident68 Ų6858.4 Ų58.436%0.36435%0.349SS..  trans-136.165.2-179.4-156.3-14.9000114.2S703 A707 Q708 M709S703-D705 PolarHBondContact O-N 3.38Å; D705-A707 VanDerWaalsContact C-N 3.27Å; D705-A707 PolarHBondContact O-N 3.27Å; D705-Q708 HydrophobicContact CB-CB 4.08Å; D705-Q708 PolarHBondContact O-N 3.3Å; D705-Q708 WeakPolarHBondContact OD1-CB 3.41Å; D705-Q708 PolarHBondContact OD1-N 2.89Å; D705-Q708 WeakPolarHBondContact OD2-CB 3.45Å; D705-Q708 PolarHBondContact OD2-OE1 3.36Å; D705-Q708 VanDerWaalsContact OD2-OE1 3.08Å; D705-M709 WeakPolarHBondContact O-CG 3.46Å; D705-M709 PolarHBondContact O-N 3.01Å
706Q78.2Confident83.9Confident66 Ų6655.2 Ų55.231%0.30834%0.337SS..Hα-helixtrans-62.5-34.4178.9-66.8158.235.200112.8Y701 Q708 M709 M710Y701-Q706 HydrophobicContact CD1-CG 4.46Å; Q706-Q708 VanDerWaalsContact C-N 3.35Å; Q706-M709 HydrophobicContact CB-CE 4.46Å; Q706-M709 HydrophobicContact CG-CE 4.14Å; Q706-M709 PolarHBondContact O-N 3.27Å; Q706-M710 WeakPolarHBondContact O-CB 3.28Å; Q706-M710 WeakPolarHBondContact O-CG 3.28Å; Q706-M710 PolarHBondContact O-N 3.37Å; Q706-M710 VanDerWaalsContact O-N 3.15Å
707A77.4Confident83.2Confident59 Ų5956.6 Ų56.649%0.48835%0.349SS..Hα-helixtrans-65.4-42.7-179.400000110.9D705D705-A707 VanDerWaalsContact C-N 3.27Å; D705-A707 PolarHBondContact O-N 3.27Å
708Q83.6Confident82.8Confident80 Ų8057.6 Ų57.637%0.37436%0.357SS..Hα-helixtrans-73.1-37.4178.1-166.4-17849.300112.5R447 D705 Q706 M710 E711R447-Q708 WeakPolarHBondContact CD-O 3.02Å; D705-Q708 HydrophobicContact CB-CB 4.08Å; D705-Q708 PolarHBondContact O-N 3.3Å; D705-Q708 WeakPolarHBondContact OD1-CB 3.41Å; D705-Q708 PolarHBondContact OD1-N 2.89Å; D705-Q708 WeakPolarHBondContact OD2-CB 3.45Å; D705-Q708 PolarHBondContact OD2-OE1 3.36Å; D705-Q708 VanDerWaalsContact OD2-OE1 3.08Å; Q706-Q708 VanDerWaalsContact C-N 3.35Å; Q708-M710 PolarHBondContact O-N 2.9Å; Q708-E711 WeakPolarHBondContact O-CB 3.31Å; Q708-E711 PolarHBondContact O-N 3.35Å
709M85.4Confident82.3Confident12 Ų1261 Ų616%0.05936%0.356CS..Hα-helixtrans-62.3-33.5175.6-77-171-67.400112.8M324 L448 E451 L700 S703 D705 Q706 E711M324-M709 HydrophobicContact CE-CE 4.45Å; L448-M709 HydrophobicContact CB-CB 4.45Å; L448-M709 WeakPolarHBondContact CB-O 3.41Å; L448-M709 PolarHBondContact N-O 3.19Å; L448-M709 VanDerWaalsContact N-O 3.16Å; E451-M709 HydrophobicContact CB-SD 4.12Å; E451-M709 HydrophobicContact CG-SD 3.9Å; L700-M709 HydrophobicContact CD2-SD 4.31Å; L700-M709 WeakPolarHBondContact O-CE 3.41Å; S703-M709 VanDerWaalsContact OG-CE 3.28Å; S703-M709 WeakPolarHBondContact OG-CE 3.49Å; D705-M709 WeakPolarHBondContact O-CG 3.46Å; D705-M709 PolarHBondContact O-N 3.01Å; Q706-M709 HydrophobicContact CB-CE 4.46Å; Q706-M709 HydrophobicContact CG-CE 4.14Å; Q706-M709 PolarHBondContact O-N 3.27Å; M709-E711 VanDerWaalsContact C-N 3.3Å; M709-E711 PolarHBondContact O-N 3.05Å
710M85.7Confident81.8Confident6 Ų659.3 Ų59.33%0.0335%0.346CS..THydrogen-bonded Turntrans-92.222.3-179.9-64.4-60.4-64.700113.3K320 A323 M324 Y445 L448 Q706 Q708K320-M710 HydrophobicContact CB-CB 4.17Å; K320-M710 HydrophobicContact CB-CG 4.27Å; K320-M710 HydrophobicContact CD-CB 4.05Å; K320-M710 HydrophobicContact CG-CB 4.19Å; K320-M710 WeakPolarHBondContact O-CE 3.34Å; A323-M710 HydrophobicContact CB-CE 3.81Å; M324-M710 HydrophobicContact CB-CE 4.13Å; M324-M710 HydrophobicContact CB-CG 4.47Å; M324-M710 HydrophobicContact CB-SD 3.74Å; M324-M710 HydrophobicContact CG-SD 4.13Å; Y445-M710 HydrophobicContact CD1-CE 4.14Å; Y445-M710 WeakPolarHBondContact CD1-O 3.41Å; Y445-M710 HydrophobicContact CD1-SD 4.47Å; Y445-M710 HydrophobicContact CD2-CE 3.86Å; Y445-M710 HydrophobicContact CD2-SD 4.37Å; Y445-M710 HydrophobicContact CE1-CE 3.88Å; Y445-M710 WeakPolarHBondContact CE1-O 3.38Å; Y445-M710 HydrophobicContact CE2-CE 3.58Å; Y445-M710 HydrophobicContact CG-CE 4.13Å; Y445-M710 HydrophobicContact CG-SD 4.28Å; L448-M710 HydrophobicContact CD2-SD 3.8Å; Q706-M710 WeakPolarHBondContact O-CB 3.28Å; Q706-M710 WeakPolarHBondContact O-CG 3.28Å; Q706-M710 PolarHBondContact O-N 3.37Å; Q706-M710 VanDerWaalsContact O-N 3.15Å; Q708-M710 PolarHBondContact O-N 2.9Å
711E84.3Confident81.4Confident94 Ų9463.8 Ų63.844%0.43937%0.367SS..PPolyproline II helixtrans-72.7128.5168.6-76.9178.3-15700111R447 Q708 M709R447-E711 IonicContact CZ-OE2 3.16Å; R447-E711 IonicContact NH1-OE1 2.65Å; R447-E711 PolarHBondContact NH1-OE1 3.33Å; R447-E711 IonicContact NH1-OE2 2.8Å; R447-E711 PolarHBondContact NH1-OE2 3.15Å; Q708-E711 WeakPolarHBondContact O-CB 3.31Å; Q708-E711 PolarHBondContact O-N 3.35Å; M709-E711 VanDerWaalsContact C-N 3.3Å; M709-E711 PolarHBondContact O-N 3.05Å
712E82.4Confident81.2Confident38 Ų3865.5 Ų65.518%0.17838%0.378CS..PPolyproline II helixtrans-72.9139.9178.5-176.4166.7-120.400110.2R444 A717 R720R444-E712 HydrophobicContact CG-CG 4.35Å; R444-E712 IonicContact CZ-OE1 3.12Å; R444-E712 VanDerWaalsContact CZ-OE1 3.27Å; R444-E712 IonicContact NE-OE1 3.79Å; R444-E712 PolarHBondContact NE-OE1 2.74Å; R444-E712 IonicContact NH2-OE1 2.62Å; R444-E712 PolarHBondContact NH2-OE1 3.15Å; R444-E712 WeakPolarHBondContact O-CA 3.45Å; E712-A717 HydrophobicContact CG-CB 4.34Å; E712-R720 IonicContact OE1-NE 2.8Å; E712-R720 IonicContact OE2-CZ 3.78Å; E712-R720 IonicContact OE2-NE 3.88Å; E712-R720 PolarHBondContact OE2-NE 2.92Å; E712-R720 IonicContact OE2-NH2 3.3Å; E712-R720 PolarHBondContact OE2-NH2 3.33Å
713S85.9Confident81Confident25 Ų2562.6 Ų62.618%0.17535%0.35CS..PPolyproline II helixtrans-60.8146.7173.1670000111.7R444 E715 S716 A717R444-S713 PolarHBondContact O-N 3.08Å; S713-E715 VanDerWaalsContact C-N 3.27Å; S713-E715 PolarHBondContact O-N 3.17Å; S713-S716 PolarHBondContact O-N 3.48Å; S713-S716 VanDerWaalsContact O-N 3.08Å; S713-S716 WeakPolarHBondContact OG-CB 3.19Å; S713-S716 PolarHBondContact OG-N 2.97Å; S713-S716 PolarHBondContact OG-OG 3.42Å; S713-A717 PolarHBondContact O-N 3.4Å
714A84Confident81Confident81 Ų8162.1 Ų62.167%0.66934%0.343SS*.Hα-helixtrans-55.8-41.9179.400000112.3S716 A717 T718A714-S716 PolarHBondContact O-N 3.29Å; A714-A717 PolarHBondContact O-N 2.94Å; A714-T718 PolarHBondContact O-N 3.25Å; A714-T718 PolarHBondContact O-OG1 3.01Å; A714-T718 VanDerWaalsContact O-OG1 3.06Å
715E80.8Confident81.8Confident126 Ų12664 Ų6459%0.58933%0.33SS*.Hα-helixtrans-61.9-43.5176.7-169.5-167.7154.500112.1S713 A717 T718 R719S713-E715 VanDerWaalsContact C-N 3.27Å; S713-E715 PolarHBondContact O-N 3.17Å; E715-A717 VanDerWaalsContact C-N 3.35Å; E715-T718 PolarHBondContact O-N 3.21Å; E715-R719 WeakPolarHBondContact O-CB 3.39Å; E715-R719 PolarHBondContact O-N 3.36Å; E715-R719 IonicContact OE1-CZ 2.64Å; E715-R719 IonicContact OE1-NH1 3.35Å; E715-R719 IonicContact OE1-NH2 2.63Å; E715-R719 PolarHBondContact OE1-NH2 3.2Å
716S79.1Confident82Confident26 Ų2663.2 Ų63.218%0.18232%0.324CS..Hα-helixtrans-67.6-37.5178.3-64.40000111.5S713 A714 R720S713-S716 PolarHBondContact O-N 3.48Å; S713-S716 VanDerWaalsContact O-N 3.08Å; S713-S716 WeakPolarHBondContact OG-CB 3.19Å; S713-S716 PolarHBondContact OG-N 2.97Å; S713-S716 PolarHBondContact OG-OG 3.42Å; A714-S716 PolarHBondContact O-N 3.29Å; S716-R720 VanDerWaalsContact O-CB 3.29Å; S716-R720 WeakPolarHBondContact O-CB 3.47Å; S716-R720 PolarHBondContact O-N 3.44Å
717A80.1Confident82.4Confident29 Ų2961.2 Ų61.224%0.2431%0.314CS..Hα-helixtrans-64.1-46.4175.200000111.6E712 S713 A714 E715 R720 E721E712-A717 HydrophobicContact CG-CB 4.34Å; S713-A717 PolarHBondContact O-N 3.4Å; A714-A717 PolarHBondContact O-N 2.94Å; E715-A717 VanDerWaalsContact C-N 3.35Å; A717-R720 PolarHBondContact O-N 3.4Å; A717-E721 WeakPolarHBondContact O-CB 3.43Å; A717-E721 PolarHBondContact O-N 3.25Å
718T82Confident82.6Confident69 Ų6965.8 Ų65.842%0.42332%0.319SS..Hα-helixtrans-62.3-47.7175.7-570000111.3A714 E715 R720 E721 E722A714-T718 PolarHBondContact O-N 3.25Å; A714-T718 PolarHBondContact O-OG1 3.01Å; A714-T718 VanDerWaalsContact O-OG1 3.06Å; E715-T718 PolarHBondContact O-N 3.21Å; T718-R720 VanDerWaalsContact C-N 3.32Å; T718-R720 PolarHBondContact O-N 2.97Å; T718-E721 PolarHBondContact O-N 2.96Å; T718-E721 VanDerWaalsContact O-N 3.11Å; T718-E722 HydrophobicContact CG2-CG 4.38Å; T718-E722 WeakPolarHBondContact O-CG 3.43Å; T718-E722 PolarHBondContact O-N 3.38Å
719R81.6Confident82.5Confident135 Ų13562 Ų6251%0.50930%0.301SS..Hα-helixtrans-59-42.9178.2-176.6177.8-72.8137.57.2111.8E715 M723E715-R719 WeakPolarHBondContact O-CB 3.39Å; E715-R719 PolarHBondContact O-N 3.36Å; E715-R719 IonicContact OE1-CZ 2.64Å; E715-R719 IonicContact OE1-NH1 3.35Å; E715-R719 IonicContact OE1-NH2 2.63Å; E715-R719 PolarHBondContact OE1-NH2 3.2Å; R719-M723 VanDerWaalsContact O-CB 3.3Å; R719-M723 WeakPolarHBondContact O-CB 3.15Å; R719-M723 PolarHBondContact O-N 3.48Å
720R81.3Confident82.4Confident49 Ų4961.4 Ų61.419%0.18530%0.298CS..Hα-helixtrans-62.5-43.7175.1178.9176.25668.83.4111.4F309 E712 S716 A717 T718 M723 L724F309-R720 VanDerWaalsContact CD1-CD 3.46Å; F309-R720 HydrophobicContact CD1-CG 3.86Å; F309-R720 HydrophobicContact CD2-CG 4.36Å; F309-R720 HydrophobicContact CE1-CB 4.5Å; F309-R720 HydrophobicContact CE1-CG 4.12Å; F309-R720 HydrophobicContact CG-CG 4Å; E712-R720 IonicContact OE1-NE 2.8Å; E712-R720 IonicContact OE2-CZ 3.78Å; E712-R720 IonicContact OE2-NE 3.88Å; E712-R720 PolarHBondContact OE2-NE 2.92Å; E712-R720 IonicContact OE2-NH2 3.3Å; E712-R720 PolarHBondContact OE2-NH2 3.33Å; S716-R720 VanDerWaalsContact O-CB 3.29Å; S716-R720 WeakPolarHBondContact O-CB 3.47Å; S716-R720 PolarHBondContact O-N 3.44Å; A717-R720 PolarHBondContact O-N 3.4Å; T718-R720 VanDerWaalsContact C-N 3.32Å; T718-R720 PolarHBondContact O-N 2.97Å; R720-M723 PolarHBondContact O-N 2.94Å; R720-L724 HydrophobicContact CG-CD1 4.12Å; R720-L724 WeakPolarHBondContact O-CB 3.49Å; R720-L724 VanDerWaalsContact O-CG 3.28Å; R720-L724 WeakPolarHBondContact O-CG 3.36Å; R720-L724 PolarHBondContact O-N 2.79Å
721E81.2Confident82.4Confident94 Ų9466.5 Ų66.544%0.43932%0.32SS..Hα-helixtrans-64.9-44.6179.1-164.3-178.4172.100112A717 T718 M723 L724 R725A717-E721 WeakPolarHBondContact O-CB 3.43Å; A717-E721 PolarHBondContact O-N 3.25Å; T718-E721 PolarHBondContact O-N 2.96Å; T718-E721 VanDerWaalsContact O-N 3.11Å; E721-M723 PolarHBondContact O-N 3.39Å; E721-L724 PolarHBondContact O-N 3.44Å; E721-R725 WeakPolarHBondContact O-CG 3.49Å; E721-R725 PolarHBondContact O-N 3.29Å; E721-R725 IonicContact OE1-CZ 3.23Å; E721-R725 IonicContact OE1-NE 2.88Å; E721-R725 PolarHBondContact OE1-NE 2.84Å; E721-R725 IonicContact OE1-NH2 2.77Å; E721-R725 PolarHBondContact OE1-NH2 3.47Å; E721-R725 IonicContact OE2-NH2 3.1Å
722E81.5Confident82.3Confident115 Ų11565.5 Ų65.554%0.53732%0.318SS..Hα-helixtrans-59.6-45.2174.7-73.7178.2172.800112T718 L724 R725 M726T718-E722 HydrophobicContact CG2-CG 4.38Å; T718-E722 WeakPolarHBondContact O-CG 3.43Å; T718-E722 PolarHBondContact O-N 3.38Å; E722-L724 PolarHBondContact O-N 2.84Å; E722-R725 PolarHBondContact O-N 2.89Å; E722-M726 WeakPolarHBondContact O-CB 3.5Å; E722-M726 PolarHBondContact O-N 2.8Å
723M82.2Confident82.2Confident24 Ų2463.7 Ų63.712%0.11831%0.309CS..Hα-helixtrans-62-43.2177.7-171.7-169.5-60.700111.9L302 E305 V306 F309 R719 R720 E721 M726 Y727L302-M723 HydrophobicContact CD2-CG 3.83Å; E305-M723 HydrophobicContact CB-CE 4.07Å; E305-M723 HydrophobicContact CB-SD 3.47Å; E305-M723 WeakPolarHBondContact CB-SD 3.33Å; E305-M723 WeakPolarHBondContact OE2-CE 3.13Å; V306-M723 HydrophobicContact CG2-CG 3.96Å; V306-M723 HydrophobicContact CG2-SD 4.05Å; F309-M723 HydrophobicContact CD2-SD 3.91Å; F309-M723 HydrophobicContact CE2-CE 3.91Å; F309-M723 HydrophobicContact CE2-SD 3.56Å; F309-M723 VanDerWaalsContact CE2-SD 3.56Å; R719-M723 VanDerWaalsContact O-CB 3.3Å; R719-M723 WeakPolarHBondContact O-CB 3.15Å; R719-M723 PolarHBondContact O-N 3.48Å; R720-M723 PolarHBondContact O-N 2.94Å; E721-M723 PolarHBondContact O-N 3.39Å; M723-M726 PolarHBondContact O-N 3.48Å; M723-Y727 WeakPolarHBondContact O-CB 3.39Å; M723-Y727 PolarHBondContact O-N 2.98Å
724L82.5Confident82.2Confident41 Ų4163.8 Ų63.822%0.21531%0.308CS..Hα-helixtrans-64.9-40.3175.6-73.1170.9000112V306 R720 E721 E722 R728V306-L724 HydrophobicContact CG1-CD2 3.85Å; V306-L724 HydrophobicContact CG2-CD2 4.25Å; R720-L724 HydrophobicContact CG-CD1 4.12Å; R720-L724 WeakPolarHBondContact O-CB 3.49Å; R720-L724 VanDerWaalsContact O-CG 3.28Å; R720-L724 WeakPolarHBondContact O-CG 3.36Å; R720-L724 PolarHBondContact O-N 2.79Å; E721-L724 PolarHBondContact O-N 3.44Å; E722-L724 PolarHBondContact O-N 2.84Å; L724-R728 WeakPolarHBondContact O-CG 3.34Å; L724-R728 PolarHBondContact O-N 2.83Å; L724-R728 VanDerWaalsContact O-N 3.08Å
725R81.6Confident82.2Confident107 Ų10766 Ų6640%0.40430%0.304SS..Hα-helixtrans-63.2-45.9174.5-72-179.8-158.7171.25.8111.2V20 E721 E722 R728 A729V20-R725 HydrophobicContact CG2-CB 4.44Å; E721-R725 WeakPolarHBondContact O-CG 3.49Å; E721-R725 PolarHBondContact O-N 3.29Å; E721-R725 IonicContact OE1-CZ 3.23Å; E721-R725 IonicContact OE1-NE 2.88Å; E721-R725 PolarHBondContact OE1-NE 2.84Å; E721-R725 IonicContact OE1-NH2 2.77Å; E721-R725 PolarHBondContact OE1-NH2 3.47Å; E721-R725 IonicContact OE2-NH2 3.1Å; E722-R725 PolarHBondContact O-N 2.89Å; R725-R728 PolarHBondContact O-N 3.22Å; R725-A729 WeakPolarHBondContact O-CB 3.32Å; R725-A729 PolarHBondContact O-N 3.47Å
726M81.9Confident82.1Confident51 Ų5161.8 Ų61.825%0.25129%0.286SS..Hα-helixtrans-61.4-45.5177.3-178.473.274.500111.6V20 L302 E722 M723 R728 A729 C730V20-M726 HydrophobicContact CG1-CE 3.2Å; V20-M726 HydrophobicContact CG1-CG 4.5Å; V20-M726 HydrophobicContact CG1-SD 3.21Å; V20-M726 WeakPolarHBondContact CG1-SD 3.46Å; L302-M726 HydrophobicContact CD1-CB 4.16Å; L302-M726 HydrophobicContact CD1-CG 3.39Å; L302-M726 HydrophobicContact CD2-CG 4.36Å; E722-M726 WeakPolarHBondContact O-CB 3.5Å; E722-M726 PolarHBondContact O-N 2.8Å; M723-M726 PolarHBondContact O-N 3.48Å; M726-R728 PolarHBondContact O-N 2.94Å; M726-A729 WeakPolarHBondContact O-CB 3.47Å; M726-A729 PolarHBondContact O-N 3.49Å; M726-C730 PolarHBondContact O-N 3.09Å; M726-C730 PolarHBondContact O-SG 3.39Å; M726-C730 VanDerWaalsContact O-SG 3.38Å
727Y85.2Confident82.1Confident24 Ų2460.8 Ų60.89%0.09428%0.278CS..Hα-helixtrans-60.7-43.9177.9176-102.4000111.9M299 L302 E303 V306 M723 C730 K731M299-Y727 HydrophobicContact CG-CD2 4.14Å; M299-Y727 HydrophobicContact CG-CE2 3.88Å; L302-Y727 HydrophobicContact CB-CD2 4.1Å; E303-Y727 HydrophobicContact CB-CE2 3.86Å; E303-Y727 HydrophobicContact CG-CE2 4.21Å; E303-Y727 PolarHBondContact OE1-OH 3.46Å; V306-Y727 HydrophobicContact CG1-CD1 4.14Å; V306-Y727 HydrophobicContact CG1-CE1 4.33Å; V306-Y727 HydrophobicContact CG1-CG 4.39Å; V306-Y727 HydrophobicContact CG2-CD2 4.44Å; V306-Y727 HydrophobicContact CG2-CG 4.08Å; M723-Y727 WeakPolarHBondContact O-CB 3.39Å; M723-Y727 PolarHBondContact O-N 2.98Å; Y727-C730 PolarHBondContact O-N 2.85Å; Y727-K731 WeakPolarHBondContact O-CB 3.48Å; Y727-K731 PolarHBondContact O-N 3.13Å
728R82.9Confident81.8Confident155 Ų15561.5 Ų61.559%0.58529%0.288SS*.Hα-helixtrans-61.9-45.7174.1-71.1173.7-173.91712.5111.5L724 R725 M726 C730 K731 D732L724-R728 WeakPolarHBondContact O-CG 3.34Å; L724-R728 PolarHBondContact O-N 2.83Å; L724-R728 VanDerWaalsContact O-N 3.08Å; R725-R728 PolarHBondContact O-N 3.22Å; M726-R728 PolarHBondContact O-N 2.94Å; R728-C730 PolarHBondContact O-N 2.9Å; R728-K731 PolarHBondContact O-N 3.34Å; R728-K731 VanDerWaalsContact O-N 3.17Å; R728-D732 PolarHBondContact O-N 3.22Å
729A80.8Confident81.2Confident0 Ų064.3 Ų64.30%030%0.301CS..Hα-helixtrans-57.7-47.1177.600000112.5F15 L18 V20 R725 M726 K731 D732 A733F15-A729 HydrophobicContact CD1-CB 4.19Å; F15-A729 HydrophobicContact CE1-CB 4.01Å; L18-A729 HydrophobicContact CB-CB 4.37Å; L18-A729 HydrophobicContact CD1-CB 3.36Å; L18-A729 HydrophobicContact CG-CB 4.48Å; V20-A729 HydrophobicContact CG2-CB 4.16Å; R725-A729 WeakPolarHBondContact O-CB 3.32Å; R725-A729 PolarHBondContact O-N 3.47Å; M726-A729 WeakPolarHBondContact O-CB 3.47Å; M726-A729 PolarHBondContact O-N 3.49Å; A729-K731 VanDerWaalsContact C-N 3.32Å; A729-K731 PolarHBondContact O-N 3.2Å; A729-D732 PolarHBondContact O-N 3.04Å; A729-A733 VanDerWaalsContact O-CB 3.28Å; A729-A733 WeakPolarHBondContact O-CB 3.48Å; A729-A733 PolarHBondContact O-N 2.97Å
730C82.9Confident80.1Confident0 Ų058.5 Ų58.50%028%0.28CS..Hα-helixtrans-62.3-40.6177.1-710000111.9M299 M726 Y727 R728 A733 L734M299-C730 HydrophobicContact CB-CB 4.17Å; M299-C730 HydrophobicContact CG-CB 4.5Å; M726-C730 PolarHBondContact O-N 3.09Å; M726-C730 PolarHBondContact O-SG 3.39Å; M726-C730 VanDerWaalsContact O-SG 3.38Å; Y727-C730 PolarHBondContact O-N 2.85Å; R728-C730 PolarHBondContact O-N 2.9Å; C730-A733 PolarHBondContact O-N 2.87Å; C730-L734 WeakPolarHBondContact O-CB 3.48Å; C730-L734 VanDerWaalsContact O-CG 3.29Å; C730-L734 WeakPolarHBondContact O-CG 3.34Å; C730-L734 PolarHBondContact O-N 2.9Å
731K85.4Confident78.8Confident114 Ų11460.8 Ų60.850%0.49630%0.304SS..Hα-helixtrans-65.3-47178.7-170.3176.7-179.4177.60111.9Y727 R728 A729 A733 L734 Q735Y727-K731 WeakPolarHBondContact O-CB 3.48Å; Y727-K731 PolarHBondContact O-N 3.13Å; R728-K731 PolarHBondContact O-N 3.34Å; R728-K731 VanDerWaalsContact O-N 3.17Å; A729-K731 VanDerWaalsContact C-N 3.32Å; A729-K731 PolarHBondContact O-N 3.2Å; K731-A733 VanDerWaalsContact C-N 3.34Å; K731-A733 PolarHBondContact O-N 2.84Å; K731-L734 PolarHBondContact O-N 2.88Å; K731-Q735 PolarHBondContact O-N 3.1Å
732D83.1Confident77.4Confident72 Ų7265 Ų6539%0.38533%0.325SS..Hα-helixtrans-63.1-41.8177.9-67.5-9.1000110.8R728 A729 L734 Q735 I736R728-D732 PolarHBondContact O-N 3.22Å; A729-D732 PolarHBondContact O-N 3.04Å; D732-L734 PolarHBondContact O-N 2.75Å; D732-Q735 WeakPolarHBondContact O-CB 3.2Å; D732-Q735 PolarHBondContact O-N 2.94Å; D732-I736 VanDerWaalsContact O-CG1 3.3Å; D732-I736 WeakPolarHBondContact O-CG1 3.26Å; D732-I736 PolarHBondContact O-N 3.2Å
733A81.4Confident75.7Confident0 Ų063.1 Ų63.10%033%0.33CS..Hα-helixtrans-64.1-40.4176.800000113.3L11 F15 L295 A729 C730 K731 Q735 I736 I737L11-A733 HydrophobicContact CD2-CB 3.86Å; F15-A733 HydrophobicContact CE1-CB 4.41Å; F15-A733 HydrophobicContact CE2-CB 3.36Å; F15-A733 HydrophobicContact CZ-CB 3.24Å; L295-A733 HydrophobicContact CD1-CB 4.07Å; L295-A733 HydrophobicContact CD2-CB 4.48Å; A729-A733 VanDerWaalsContact O-CB 3.28Å; A729-A733 WeakPolarHBondContact O-CB 3.48Å; A729-A733 PolarHBondContact O-N 2.97Å; C730-A733 PolarHBondContact O-N 2.87Å; K731-A733 VanDerWaalsContact C-N 3.34Å; K731-A733 PolarHBondContact O-N 2.84Å; A733-Q735 VanDerWaalsContact C-N 3.32Å; A733-I736 PolarHBondContact O-N 3.26Å; A733-I737 WeakPolarHBondContact O-CG1 3.44Å; A733-I737 PolarHBondContact O-N 2.82Å
734L84.8Confident74.2Confident28 Ų2864.5 Ų64.515%0.14734%0.34CS..Hα-helixtrans-65.3-36.7175-76.4167.3000111.9R292 L295 Q296 M299 C730 K731 D732 I737 G738R292-L734 HydrophobicContact CG-CD2 3.79Å; L295-L734 HydrophobicContact CB-CD2 3.81Å; L295-L734 HydrophobicContact CB-CG 4.05Å; Q296-L734 HydrophobicContact CB-CD1 4.49Å; Q296-L734 HydrophobicContact CB-CD2 4.28Å; M299-L734 HydrophobicContact CB-CD1 4.12Å; M299-L734 HydrophobicContact CE-CD1 3.98Å; M299-L734 HydrophobicContact CG-CD1 4.41Å; M299-L734 HydrophobicContact SD-CD1 3.5Å; M299-L734 WeakPolarHBondContact SD-CD1 3.3Å; C730-L734 WeakPolarHBondContact O-CB 3.48Å; C730-L734 VanDerWaalsContact O-CG 3.29Å; C730-L734 WeakPolarHBondContact O-CG 3.34Å; C730-L734 PolarHBondContact O-N 2.9Å; K731-L734 PolarHBondContact O-N 2.88Å; D732-L734 PolarHBondContact O-N 2.75Å; L734-I737 PolarHBondContact O-N 3.28Å; L734-G738 PolarHBondContact O-N 3.42Å
735Q84.4Confident72.5Confident127 Ų12769.5 Ų69.559%0.59337%0.372SS*.Hα-helixtrans-63.8-47.5173.4-173.3174.8-6.300111.1K731 D732 A733 I737 G738 D739K731-Q735 PolarHBondContact O-N 3.1Å; D732-Q735 WeakPolarHBondContact O-CB 3.2Å; D732-Q735 PolarHBondContact O-N 2.94Å; A733-Q735 VanDerWaalsContact C-N 3.32Å; Q735-I737 VanDerWaalsContact C-N 3.25Å; Q735-I737 PolarHBondContact O-N 2.63Å; Q735-G738 PolarHBondContact O-N 2.95Å; Q735-G738 VanDerWaalsContact O-N 3.08Å; Q735-D739 PolarHBondContact O-N 3.23Å
736I79.3Confident70.8Confident38 Ų3867.5 Ų67.520%0.19537%0.374CS..Hα-helixtrans-57.7-38.4176.2-67.7164.5000111.5I7 K10 L11 A14 D732 A733 V740I7-I736 HydrophobicContact CG2-CG2 3.94Å; K10-I736 HydrophobicContact CB-CG2 4.46Å; L11-I736 HydrophobicContact CD2-CB 3.86Å; L11-I736 HydrophobicContact CD2-CD1 4.26Å; L11-I736 HydrophobicContact CD2-CG2 3.69Å; L11-I736 HydrophobicContact CG-CG2 3.8Å; A14-I736 HydrophobicContact CB-CD1 4.07Å; D732-I736 VanDerWaalsContact O-CG1 3.3Å; D732-I736 WeakPolarHBondContact O-CG1 3.26Å; D732-I736 PolarHBondContact O-N 3.2Å; A733-I736 PolarHBondContact O-N 3.26Å; I736-V740 VanDerWaalsContact O-CG2 3.25Å; I736-V740 WeakPolarHBondContact O-CG2 3.39Å
737I78.4Confident69.4Low4 Ų468.2 Ų68.22%0.02138%0.384CS..Hα-helixtrans-70.6-38.7176.3-76.5167.2000112L11 L288 L291 R292 L295 A733 L734 Q735 D739 V740L11-I737 HydrophobicContact CD1-CD1 4.37Å; L11-I737 HydrophobicContact CD1-CG1 3.99Å; L11-I737 HydrophobicContact CD2-CG1 4.26Å; L288-I737 HydrophobicContact CD2-CB 4.42Å; L288-I737 HydrophobicContact CD2-CG1 4.33Å; L288-I737 HydrophobicContact CD2-CG2 3.59Å; L291-I737 HydrophobicContact CD2-CD1 4.4Å; L291-I737 HydrophobicContact CG-CD1 4.48Å; R292-I737 HydrophobicContact CB-CG2 3.96Å; R292-I737 HydrophobicContact CG-CG2 3.73Å; L295-I737 HydrophobicContact CD1-CD1 3.56Å; A733-I737 WeakPolarHBondContact O-CG1 3.44Å; A733-I737 PolarHBondContact O-N 2.82Å; L734-I737 PolarHBondContact O-N 3.28Å; Q735-I737 VanDerWaalsContact C-N 3.25Å; Q735-I737 PolarHBondContact O-N 2.63Å; I737-D739 VanDerWaalsContact C-N 3.3Å; I737-D739 PolarHBondContact O-N 2.89Å; I737-V740 WeakPolarHBondContact O-CB 3.06Å; I737-V740 WeakPolarHBondContact O-CG2 3.15Å; I737-V740 PolarHBondContact O-N 2.74Å
738G73.7Confident67.7Low44 Ų4473 Ų7345%0.45442%0.418SS..Hα-helixtrans-59.5-37.7-178.500000113.5L734 Q735 V740L734-G738 PolarHBondContact O-N 3.42Å; Q735-G738 PolarHBondContact O-N 2.95Å; Q735-G738 VanDerWaalsContact O-N 3.08Å; G738-V740 PolarHBondContact O-N 3.2Å
739D68.6Low66.3Low128 Ų12868.3 Ų68.368%0.68441%0.405SS*.THydrogen-bonded Turntrans-65.8-10-178.2-66.4-18.5000114.1Q735 I737Q735-D739 PolarHBondContact O-N 3.23Å; I737-D739 VanDerWaalsContact C-N 3.3Å; I737-D739 PolarHBondContact O-N 2.89Å
740V59.9Low65Low13 Ų1371.7 Ų71.78%0.07943%0.427CS..THydrogen-bonded Turntrans-104.5-30.8-165.8-170.80000113.5L4 I7 I736 I737 G738 M742 A743L4-V740 HydrophobicContact CD2-CG1 3.29Å; I7-V740 HydrophobicContact CD1-CB 4.06Å; I7-V740 HydrophobicContact CD1-CG1 3.65Å; I7-V740 HydrophobicContact CD1-CG2 3.27Å; I7-V740 HydrophobicContact CG1-CG2 3.97Å; I7-V740 HydrophobicContact CG2-CG2 3.98Å; I736-V740 VanDerWaalsContact O-CG2 3.25Å; I736-V740 WeakPolarHBondContact O-CG2 3.39Å; I737-V740 WeakPolarHBondContact O-CB 3.06Å; I737-V740 WeakPolarHBondContact O-CG2 3.15Å; I737-V740 PolarHBondContact O-N 2.74Å; G738-V740 PolarHBondContact O-N 3.2Å; V740-M742 PolarHBondContact O-N 3.32Å; V740-A743 PolarHBondContact O-N 3.07Å
741S53.9Low63.4Low98 Ų9876.7 Ų76.769%0.68546%0.459SS*.THydrogen-bonded Turntrans-65.1-4.6-171.6-164.70000113.8
742M50.3Low62.1Low181 Ų18176.4 Ų76.489%0.89247%0.468SS*.THydrogen-bonded Turntrans-99.1-4.9-175.2-67.4-82.3-96.200114.7V740V740-M742 PolarHBondContact O-N 3.32Å
743A45.9Very low61.1Low77 Ų7776 Ų7664%0.63647%0.469SS*.SBendtrans-131.123.7-161.200000119V740V740-A743 PolarHBondContact O-N 3.07Å
744T52Low59.5Low52 Ų5283.5 Ų83.532%0.31950%0.501SS..  trans-137135-175.262.90000117.7L4 R285L4-T744 HydrophobicContact CD1-CG2 4.01Å; L4-T744 HydrophobicContact CG-CG2 4.39Å; R285-T744 VanDerWaalsContact CZ-OG1 3.31Å; R285-T744 PolarHBondContact NH1-O 2.93Å; R285-T744 PolarHBondContact NH1-OG1 3.28Å; R285-T744 PolarHBondContact NH2-O 3.42Å
745V46.9Very low57.8Low147 Ų14786.5 Ų86.589%0.89152%0.518SS*.  trans-97.2139.4171.2-179.80000110R285R285-V745 PolarHBondContact NH1-O 2.93Å
746S45.8Very low55.9Low64 Ų6486.7 Ų86.745%0.44852%0.522SS..  trans-103.4152.2-172.5-173.80000112.3R285R285-S746 VanDerWaalsContact NH1-CA 3.35Å; R285-S746 VanDerWaalsContact NH1-N 3.12Å
747S52.2Low54.5Low67 Ų6794.6 Ų94.647%0.46955%0.55SS.*  trans-115.1127.4163.6-59.20000109.3
748P49.3Very low52.9Low124 Ų124100 Ų10081%0.80558%0.578SS**PPolyproline II helixtrans-67.8142.4-176.125.5-31.9000112.3
749L53.4Low51.3Low57 Ų57103.8 Ų103.830%0.29860%0.595SS.*PPolyproline II helixtrans-67145.8173.1-72.2166.9000110.9
750P54.2Low49.9Very low71 Ų71103.8 Ų103.846%0.46161%0.605SS.*PPolyproline II helixtrans-62.3156.8173.124.9-31.7000112R223R223-P750 PolarHBondContact NE-O 3.3Å; R223-P750 VanDerWaalsContact NE-O 3.16Å; R223-P750 PolarHBondContact NH2-O 3.46Å
751P49.5Very low48.9Very low105 Ų105106.3 Ų106.368%0.68263%0.634SS**PPolyproline II helixtrans-62.1158.9-176.624.4-33.3000112.9
752P56.5Low48Very low107 Ų107110 Ų11070%0.69565%0.645SS**PPolyproline II helixtrans-59.4140.2179.2-18.630.4000111.9
753V62.9Low47.3Very low64 Ų64109.3 Ų109.339%0.38865%0.645SS.*PPolyproline II helixtrans-87.7139.1177.3-157.80000110.5P221P221-V753 HydrophobicContact CB-CB 3.84Å; P221-V753 HydrophobicContact CB-CG1 3.2Å; P221-V753 HydrophobicContact CB-CG2 4.25Å; P221-V753 HydrophobicContact CG-CB 4.36Å; P221-V753 HydrophobicContact CG-CG1 3.69Å
754K47.7Very low46.7Very low157 Ų157113.2 Ų113.268%0.68366%0.655SS**PPolyproline II helixtrans-78.1137.7-178-64.4-176.9177.5-177.40111.1D756K754-D756 PolarHBondContact O-N 3.45Å
755N48.7Very low46Very low92 Ų92115.7 Ų115.749%0.49267%0.672SS.*  trans-96.336.2-175.3-75.4-21.4000113.3W757N755-W757 PolarHBondContact O-N 3.47Å
756D45.9Very low45.3Very low130 Ų130119.8 Ų119.870%0.69567%0.671SS**THydrogen-bonded Turntrans-72.28.2-168.7-61-23.5000114.9K754K754-D756 PolarHBondContact O-N 3.45Å
757W49.7Very low44.7Very low205 Ų205124.8 Ų124.878%0.77769%0.692SS**THydrogen-bonded Turntrans-110.55.3-172.4-60.679.5000114.4N755N755-W757 PolarHBondContact O-N 3.47Å
758L44Very low43.8Very low117 Ų117127.3 Ų127.361%0.61371%0.71SS**SBendtrans-86.8132.6173.1-72.3163.1000109.8S760L758-S760 PolarHBondContact O-N 3.13Å
759P40.9Very low43.2Very low123 Ų123126.8 Ų126.880%0.79971%0.706SS**  trans-63.4119.6162.57.50.3000108.4G761P759-G761 PolarHBondContact O-N 3.49Å
760S38.1Very low42.5Very low129 Ų129130.1 Ų130.190%0.90273%0.731SS**  trans-63.791.7177.8-49.50000110.5L758L758-S760 PolarHBondContact O-N 3.13Å
761G38.3Very low41.4Very low66 Ų66132.3 Ų132.368%0.6875%0.749SS**  trans-88.9118.7165.600000109.9P759P759-G761 PolarHBondContact O-N 3.49Å
762L35Very low41.2Very low176 Ų176133.6 Ų133.692%0.92176%0.757SS**SBendtrans90.7108.2168.3-58.4160.7000116.5
763D36.8Very low40Very low166 Ų166132.4 Ų132.489%0.88876%0.764SS**  trans-45.6128.7165-74.8-56000112.7
764N32.1Very low38.5Very low158 Ų158132.7 Ų132.785%0.84578%0.78SS**  trans-150.1120.6147.1-132.20.8000109.3
765P37.8Very low37.7Very low105 Ų105131.8 Ų131.868%0.68279%0.787SS**  trans-84.4137.4-174.732.2-31.3000111.4
766R33.1Very low37Very low232 Ų232139.3 Ų139.388%0.87581%0.809SS**  trans91.6114.4161.6-54.3173.9179.8-161.4-1.3116.7
767L32.4Very low36.2Very low169 Ų169137 Ų13789%0.88582%0.816SS**  178.8109.4103.5-88.6163.7000108.5
768S33.2Very low35.3Very low120 Ų120137.3 Ų137.384%0.83982%0.822SS**PPolyproline II helixtrans-83133.5171.9-47.10000110
769P36.4Very low35.8Very low113 Ų113137.6 Ų137.673%0.73483%0.831SS**PPolyproline II helixtrans-87.8140.516932.9-28.8000110.4
770P38.4Very low35.2Very low127 Ų127135.2 Ų135.283%0.82583%0.829SS**PPolyproline II helixtrans-85.6147.4168.233.1-28.1000110.5
771S31.6Very low35.3Very low118 Ų118135 Ų13583%0.82582%0.824SS**  trans-122.1165.4174.2-96.10000110.3
772P45.2Very low35.8Very low131 Ų131137.6 Ų137.685%0.85183%0.829SS**  -115.1167.3-120.641-36.7000116.8
773G32.7Very low35.5Very low83 Ų83133 Ų13386%0.85682%0.817SS**  trans133.9138.2165.800000110.9
774G29.8Very low35.2Very low69 Ų69134.1 Ų134.171%0.71182%0.817SS**  cis162.2152.73.100000107.7
775V32.5Very low35Very low139 Ų139131.2 Ų131.284%0.84281%0.809SS**  trans94111.2156.6-165.50000120.7
776R32.8Very low34.7Very low250 Ų250131.1 Ų131.194%0.94381%0.811SS**  trans33.5130.4139.2-64.3175.2165.1176.3-5121.9
777G29.6Very low34.6Very low81 Ų81128.2 Ų128.284%0.83581%0.812SS**  trans177.4121149.500000112.7
778K31.5Very low34.4Very low211 Ų211124 Ų12492%0.91781%0.81SS**  trans-104.1-179.4-179.4-130.2-168.9-168.9-174.10109.3
779P53.3Low34.2Very low124 Ų124121.9 Ų121.981%0.80581%0.806SS**  -115.3169.4-115.137.2-20.5000115.9
780G28.6Very low33.9Very low73 Ų73128.4 Ų128.475%0.75382%0.816SS**  trans178.5142.5164.700000115.4
781P39.7Very low33.5Very low123 Ų123130.3 Ų130.380%0.79982%0.82SS**  trans-110.3-161.3-172.643.9-31.8000112.2
782P49.1Very low33.7Very low121 Ų121130 Ų13079%0.78682%0.815SS**  cis-128.6-170.1-30.926.7-3.1000113.8
783A29.2Very low33.4Very low81 Ų81129.9 Ų129.967%0.66981%0.814SS**  trans100112.6153.700000118.7
784Q29.8Very low33.6Very low188 Ų188133.8 Ų133.888%0.87981%0.814SS**  79.8135111.4-73.5-179.5-1.600113.8
785S29.4Very low34.2Very low97 Ų97136.1 Ų136.168%0.67882%0.817SS**  cis-173.4147.23.942.30000108.4
786S29.6Very low34.6Very low104 Ų104135 Ų13573%0.72781%0.812SS**  trans65.9134.6141.688.20000118.2
787L31.9Very low34.7Very low170 Ų170129 Ų12989%0.8981%0.809SS**  cis-165.7149.935.7-97.8144.3000111.8
788G28.6Very low35.3Very low82 Ų82131.5 Ų131.585%0.84581%0.809SS**  trans85.8128.3147.400000117.6
789G28.8Very low35.3Very low74 Ų74125 Ų12576%0.76380%0.801SS**  cis173.8153.2-0.200000111
790R30Very low34.3Very low250 Ų250131 Ų13194%0.94381%0.808SS**  trans75.6111.1157.2-68.2-176.7168.7178.6-3121.5
791N29.1Very low34.7Very low167 Ų167133.4 Ų133.489%0.89381%0.81SS**  trans-143.8159.7136.2-113.71.4000110.5
792P37.3Very low34.4Very low112 Ų112132 Ų13273%0.72781%0.808SS**PPolyproline II helixtrans-89.6169.3-155.635.2-36.1000116.4
793P37.8Very low33.6Very low128 Ų128132.4 Ų132.483%0.83181%0.811SS**PPolyproline II helixtrans-98.6159-159.337.1-32.1000116.5
794L36.5Very low33.7Very low165 Ų165133.4 Ų133.486%0.86482%0.819SS**PPolyproline II helixtrans-77.1152.6173.4-75.7149.6000112.6
795P42.6Very low33.9Very low118 Ų118132 Ų13277%0.76682%0.816SS**PPolyproline II helixtrans-80.3155.5-179.631.7-32.6000113.7
796P40.7Very low34.1Very low115 Ų115133.3 Ų133.375%0.74782%0.822SS**PPolyproline II helixtrans-94.2151.4-16235.8-33.7000114.8
797S36.6Very low34.1Very low124 Ų124136.3 Ų136.387%0.86783%0.83SS**PPolyproline II helixtrans-79.4122.8165.557.50000110.9
798T40.8Very low34Very low135 Ų135139.3 Ų139.383%0.82883%0.83SS**  trans-108.9133.9169.549.70000110.2
799G31.5Very low34.3Very low73 Ų73141.3 Ų141.375%0.75383%0.828SS**  trans-107.9133167.900000110.9
800R33.1Very low34.3Very low252 Ų252141.9 Ų141.995%0.95183%0.834SS**  trans168.3160.4138.6-97.3-169.5178.7-154.21.5110.9
801P36.6Very low34.3Very low123 Ų123133.7 Ų133.780%0.79983%0.827SS**  -113.9168-123.341.3-33.7000115.6
802A33.1Very low34.4Very low92 Ų92129.5 Ų129.576%0.7682%0.823SS**PPolyproline II helixtrans-89.7160167.400000111.9
803P33.1Very low34.4Very low130 Ų130129.1 Ų129.184%0.84483%0.83SS**PPolyproline II helixtrans-81.1159.7-1641.914.9000115
804A30.2Very low34.2Very low103 Ų103128.7 Ų128.785%0.85183%0.827SS**PPolyproline II helixtrans-71.1142.3-171.400000115.5
805I35.1Very low34.4Very low158 Ų158126.7 Ų126.781%0.8182%0.824SS**  trans-106.6139.6158.6-62.9171.2000107
806P32.2Very low34.2Very low124 Ų124129.2 Ų129.281%0.80583%0.83SS**  trans-72.7136.5-169.8-14.329.8000113.8
807N31.1Very low34.1Very low167 Ų167129.8 Ų129.889%0.89383%0.833SS**  trans-70.4137.9178.7-133.42.9000111.9
808R30Very low33.9Very low233 Ų233127.9 Ų127.988%0.87983%0.834SS**  trans-118.7131.5161.4-146.1178.8-170.8-178.92.5107.7
809P33.8Very low33.3Very low125 Ų125125.5 Ų125.581%0.81284%0.836SS**  trans-83138.7-165.810.83.9000112.5
810G29.2Very low33.5Very low86 Ų86133.8 Ų133.889%0.88784%0.844SS**  trans-79.7138.4164.900000111.5
811G30.2Very low33.8Very low78 Ų78127.6 Ų127.680%0.80484%0.837SS**  trans-123.3133.6169.800000109.6
812G30.3Very low33.6Very low79 Ų79125.9 Ų125.981%0.81484%0.841SS**  trans-71.4170.2-172.600000115.9
813A38.3Very low33.5Very low104 Ų104125.3 Ų125.386%0.8684%0.844SS**  trans-77.8147.3176.800000113.1
814P33.1Very low33.5Very low119 Ų119124.4 Ų124.477%0.77384%0.841SS**  trans-130173.9153.239.8-24.4000111.4
815P40.3Very low33.7Very low122 Ų122127.5 Ų127.579%0.79284%0.842SS**  -111.2-179.8-127.924.6-2.5000116
816L39.9Very low33.8Very low172 Ų172125 Ų12590%0.90184%0.837SS**  trans-57.3152.5173.6-80.4145.4000114.4
817P37.7Very low34Very low126 Ų126124.8 Ų124.882%0.81884%0.835SS**  -137.6147.9129.929.2-12000114.2
818G31.9Very low34.2Very low85 Ų85123.1 Ų123.188%0.87683%0.833SS**  trans-103.4156.2171.500000113.4
819G29.1Very low34.3Very low84 Ų84121 Ų12187%0.86684%0.836SS**  trans164.8114.2168.400000113.4
820R35.1Very low34.3Very low247 Ų247122.8 Ų122.893%0.93284%0.838SS**  trans-68.6171175.9-95.2177.5171.3-176.8-2.4112.8
821P38.6Very low34.4Very low122 Ų122124.6 Ų124.679%0.79283%0.834SS**  cis-148.8166.433.938.4-15.4000119.8
822G33.4Very low34.4Very low87 Ų87126.4 Ų126.490%0.89783%0.834SS**  trans40125.4143.500000123.7
823G30.9Very low34.3Very low80 Ų80134.5 Ų134.583%0.82584%0.84SS**  trans160.3108.915800000114.4
824S34Very low33.9Very low111 Ų111136.4 Ų136.478%0.77684%0.841SS**  trans-63.6148.4172.548.10000114.3
825L33.4Very low33.7Very low168 Ų168136.6 Ų136.688%0.8885%0.845SS**  trans169.6161.9134.3-87.3168.4000111.6
826P36.6Very low33.1Very low107 Ų107134.4 Ų134.470%0.69585%0.845SS**PPolyproline II helixtrans-100170.2-140.339.5-37000116.3
827P37.7Very low32.6Very low119 Ų119131.1 Ų131.177%0.77384%0.842SS**PPolyproline II helixtrans-81.5153.3-178.731.5-33.7000114.4
828P33.9Very low32.3Very low131 Ų131132.3 Ų132.385%0.85185%0.847SS**PPolyproline II helixtrans-86.4154.6-170.734.4-33.6000114.6
829M32.8Very low32.1Very low188 Ų188131.8 Ų131.893%0.92684%0.842SS**PPolyproline II helixtrans-79.4147.3-173.1-70.6-101.5158.300114.4
830L33.3Very low32.1Very low163 Ų163131.7 Ų131.785%0.85384%0.84SS**PPolyproline II helixtrans-99.2155162.4-76.3166.9000110.5
831P31.4Very low31.7Very low125 Ų125124.2 Ų124.281%0.81283%0.831SS**PPolyproline II helixtrans-87.1139.1-159.279.2000115.2
832S31Very low31.3Very low116 Ų116126.1 Ų126.181%0.81183%0.833SS**PPolyproline II helixtrans-77.7132.1176.7-37.40000112.6
833R28.9Very low31Very low249 Ų249128.9 Ų128.994%0.9483%0.832SS**PPolyproline II helixtrans-80.8134.3170.4-94.3-179.8171.4167.4-2.7111.4
834V28.4Very low30.9Very low143 Ų143133.1 Ų133.187%0.86783%0.831SS**PPolyproline II helixtrans-73.8135.4177.2174.90000110.8
835S28.7Very low30.6Very low123 Ų123135.9 Ų135.986%0.8683%0.831SS**PPolyproline II helixtrans-85.2129.2169.1-68.60000110.4
836G28.8Very low30.4Very low77 Ų77133.6 Ų133.679%0.79483%0.829SS**  trans-138.3118.9169.100000109.3
837A29.2Very low30Very low102 Ų102131.9 Ų131.984%0.84383%0.832SS**  trans-85.6135.3-178.800000111.6
838V30.4Very low30Very low152 Ų152131.7 Ų131.792%0.92184%0.84SS**  trans-144133.3154.9-173.40000107.6
839G29Very low29.9Very low74 Ų74132 Ų13276%0.76384%0.835SS**  trans-92.8165.1-164.100000117.5
840G28Very low30.2Very low81 Ų81134.9 Ų134.984%0.83584%0.835SS**  trans66.8111.1136.900000120.8
841A27.8Very low30.3Very low90 Ų90137.1 Ų137.174%0.74483%0.833SS**  166.4120.5101.800000114.1
842I29.2Very low30.7Very low163 Ų163135.1 Ų135.184%0.83682%0.819SS**  trans52.6118.6133.6-49.7168.4000120.1
843V28.4Very low31.5Very low145 Ų145132.7 Ų132.788%0.87980%0.8SS**  -164143.7110.9172.60000110.2
844Q27.6Very low32.2Very low169 Ų169129 Ų12979%0.7979%0.794SS**  trans-74140.7-172.9-124.3166.55.300115.5
845Q27.8Very low33Very low168 Ų168126.4 Ų126.479%0.78578%0.782SS**  151.8124.5115.1-97.9176.313.500116.4
846S29.9Very low33.7Very low120 Ų120125 Ų12584%0.83976%0.763SS**  trans54.7115.7145.957.40000122.8
847G27.7Very low34.7Very low72 Ų72128.7 Ų128.774%0.74275%0.753SS**  trans162.895.2156.400000111.9N849G847-N849 PolarHBondContact O-N 3.26Å; G847-N849 VanDerWaalsContact O-N 3.13Å
848A37.9Very low35.8Very low114 Ų114125.8 Ų125.894%0.94273%0.733SS**  trans-63.7110.6-176.300000111.9
849N32.4Very low36.6Very low139 Ų139124.9 Ų124.974%0.74372%0.719SS**  trans-130.2112.3170.7-135.92.3000108.3G847 Y851G847-N849 PolarHBondContact O-N 3.26Å; G847-N849 VanDerWaalsContact O-N 3.13Å; N849-Y851 PolarHBondContact O-N 2.9Å; N849-Y851 VanDerWaalsContact O-N 3.1Å
850R37.7Very low37.5Very low248 Ų248125.1 Ų125.194%0.93671%0.705SS**  trans-78.191174.7-84.2-176.5175.7172.5-0.9108.7
851Y36.1Very low38.3Very low209 Ų209126.9 Ų126.982%0.8270%0.695SS**PPolyproline II helixtrans-75.4118.9162.7-118.8-99.4000108.5N849 P853N849-Y851 PolarHBondContact O-N 2.9Å; N849-Y851 VanDerWaalsContact O-N 3.1Å; Y851-P853 WeakPolarHBondContact O-CD 3.44Å
852V40.4Very low39.4Very low83 Ų83129 Ų12950%0.50369%0.69SS.*PPolyproline II helixtrans-75.6121.5170.1177.50000107.6M856V852-M856 HydrophobicContact CG1-CB 3.69Å; V852-M856 HydrophobicContact CG1-CG 4.34Å; V852-M856 HydrophobicContact CG1-SD 4.02Å
853P46.5Very low40.4Very low65 Ų65124.1 Ų124.142%0.42267%0.674SS.*PPolyproline II helixtrans-61.7148.1-179.4-22.533.2000112.4Y851 S855 M856 R857Y851-P853 WeakPolarHBondContact O-CD 3.44Å; P853-S855 PolarHBondContact O-N 2.91Å; P853-S855 VanDerWaalsContact O-N 3.16Å; P853-M856 WeakPolarHBondContact O-CA 3.4Å; P853-M856 VanDerWaalsContact O-CB 3.29Å; P853-M856 WeakPolarHBondContact O-CB 3.4Å; P853-M856 PolarHBondContact O-N 3.11Å; P853-R857 PolarHBondContact O-N 3.09Å
854E44.9Very low41.7Very low173 Ų173121.5 Ų121.581%0.80866%0.658SS**Hα-helixtrans-59.2-28.2-179.1-155.2165.2-165.300113M856 R857 G858E854-M856 VanDerWaalsContact C-N 3.29Å; E854-M856 PolarHBondContact O-N 3.28Å; E854-R857 PolarHBondContact O-N 2.91Å; E854-G858 PolarHBondContact O-N 3.26Å
855S44.5Very low43.2Very low87 Ų87115 Ų11561%0.60864%0.636SS**Hα-helixtrans-65.1-29.9171.256.40000113.4P853 Q859P853-S855 PolarHBondContact O-N 2.91Å; P853-S855 VanDerWaalsContact O-N 3.16Å; S855-Q859 PolarHBondContact O-N 3.14Å
856M43.1Very low44.2Very low95 Ų95112.6 Ų112.647%0.46863%0.625SS.*Hα-helixtrans-81.5-31.8178-137.5-173.7-83.100111.2V852 P853 E854 G858 Q859 V860V852-M856 HydrophobicContact CG1-CB 3.69Å; V852-M856 HydrophobicContact CG1-CG 4.34Å; V852-M856 HydrophobicContact CG1-SD 4.02Å; P853-M856 WeakPolarHBondContact O-CA 3.4Å; P853-M856 VanDerWaalsContact O-CB 3.29Å; P853-M856 WeakPolarHBondContact O-CB 3.4Å; P853-M856 PolarHBondContact O-N 3.11Å; E854-M856 VanDerWaalsContact C-N 3.29Å; E854-M856 PolarHBondContact O-N 3.28Å; M856-G858 VanDerWaalsContact C-N 3.34Å; M856-G858 PolarHBondContact O-N 3.32Å; M856-Q859 PolarHBondContact O-N 2.82Å; M856-V860 WeakPolarHBondContact O-CB 3.4Å; M856-V860 WeakPolarHBondContact O-CG2 3.41Å; M856-V860 PolarHBondContact O-N 3.16Å
857R49.8Very low45.3Very low153 Ų153109.5 Ų109.558%0.57761%0.606SS**Hα-helixtrans-61.4-40.9170.3-87.5-178.7163.3-172.6-8112.1P853 E854 N861P853-R857 PolarHBondContact O-N 3.09Å; E854-R857 PolarHBondContact O-N 2.91Å; R857-N861 WeakPolarHBondContact O-CB 3.16Å; R857-N861 PolarHBondContact O-N 2.96Å
858G51.8Low46.6Very low41 Ų41108.2 Ų108.242%0.42359%0.588SS.*Hα-helixtrans-61.9-46.6173.800000112.4E854 M856 N861 Q862E854-G858 PolarHBondContact O-N 3.26Å; M856-G858 VanDerWaalsContact C-N 3.34Å; M856-G858 PolarHBondContact O-N 3.32Å; G858-N861 PolarHBondContact O-N 2.88Å; G858-Q862 WeakPolarHBondContact O-CB 3.33Å; G858-Q862 PolarHBondContact O-N 3.42Å
859Q47.6Very low47.7Very low134 Ų134108.1 Ų108.163%0.62657%0.571SS**Hα-helixtrans-68.8-35.3178.9-74.7179.2-2.300113.3S855 M856 Q862 A863S855-Q859 PolarHBondContact O-N 3.14Å; M856-Q859 PolarHBondContact O-N 2.82Å; Q859-Q862 PolarHBondContact O-N 3.35Å; Q859-A863 WeakPolarHBondContact O-CB 3.21Å; Q859-A863 PolarHBondContact O-N 3.18Å
860V47.6Very low48.8Very low78 Ų78106 Ų10647%0.47356%0.56SS.*Hα-helixtrans-69.8-43.3175.8172.10000110.6M856 Q862 A863 V864M856-V860 WeakPolarHBondContact O-CB 3.4Å; M856-V860 WeakPolarHBondContact O-CG2 3.41Å; M856-V860 PolarHBondContact O-N 3.16Å; V860-Q862 VanDerWaalsContact C-N 3.29Å; V860-Q862 PolarHBondContact O-N 3.05Å; V860-A863 PolarHBondContact O-N 3.36Å; V860-V864 HydrophobicContact CG1-CG2 4.16Å; V860-V864 WeakPolarHBondContact O-CB 3.44Å; V860-V864 WeakPolarHBondContact O-CG2 3.05Å; V860-V864 PolarHBondContact O-N 2.85Å
861N45.3Very low49.7Very low119 Ų119101.3 Ų101.364%0.63655%0.549SS*.Hα-helixtrans-65.2-35175.8-75.4-14.9000112.2R857 G858 G865R857-N861 WeakPolarHBondContact O-CB 3.16Å; R857-N861 PolarHBondContact O-N 2.96Å; G858-N861 PolarHBondContact O-N 2.88Å; N861-G865 PolarHBondContact O-N 3.37Å
862Q51.6Low50.5Low135 Ų13596.5 Ų96.563%0.63154%0.536SS*.Hα-helixtrans-70.7-42.1174.7-145171.519.300111.4G858 Q859 V860 G865 Q866G858-Q862 WeakPolarHBondContact O-CB 3.33Å; G858-Q862 PolarHBondContact O-N 3.42Å; Q859-Q862 PolarHBondContact O-N 3.35Å; V860-Q862 VanDerWaalsContact C-N 3.29Å; V860-Q862 PolarHBondContact O-N 3.05Å; Q862-G865 PolarHBondContact O-N 2.91Å; Q862-Q866 WeakPolarHBondContact O-CB 3.39Å; Q862-Q866 PolarHBondContact O-N 2.91Å
863A49.8Very low51.2Low60 Ų6095.5 Ų95.550%0.49653%0.533SS..Hα-helixtrans-66.8-38.3176.700000112.8Q859 V860 Q866 A867Q859-A863 WeakPolarHBondContact O-CB 3.21Å; Q859-A863 PolarHBondContact O-N 3.18Å; V860-A863 PolarHBondContact O-N 3.36Å; A863-Q866 PolarHBondContact O-N 3.21Å; A863-A867 VanDerWaalsContact O-CB 3.25Å; A863-A867 WeakPolarHBondContact O-CB 3.46Å; A863-A867 PolarHBondContact O-N 3.42Å
864V55.6Low51.6Low90 Ų9097.9 Ų97.955%0.54554%0.542SS..Hα-helixtrans-68.5-41174.71720000110.6V860 A867 A868V860-V864 HydrophobicContact CG1-CG2 4.16Å; V860-V864 WeakPolarHBondContact O-CB 3.44Å; V860-V864 WeakPolarHBondContact O-CG2 3.05Å; V860-V864 PolarHBondContact O-N 2.85Å; V864-A867 PolarHBondContact O-N 3.27Å; V864-A868 WeakPolarHBondContact O-CB 3.48Å; V864-A868 PolarHBondContact O-N 3.44Å
865G58.7Low51.9Low32 Ų3292 Ų9233%0.3352%0.524SS..Hα-helixtrans-61.6-43.6171.900000112.6N861 Q862 I869N861-G865 PolarHBondContact O-N 3.37Å; Q862-G865 PolarHBondContact O-N 2.91Å; G865-I869 WeakPolarHBondContact O-CB 3.4Å; G865-I869 WeakPolarHBondContact O-CD1 3.3Å; G865-I869 WeakPolarHBondContact O-CG1 3.41Å; G865-I869 PolarHBondContact O-N 3.17Å
866Q49.6Very low52Low118 Ų11894.6 Ų94.655%0.55152%0.524SS*.Hα-helixtrans-68.2-38.6178.6-137.6106.41500112.2Q862 A863 I869 N870Q862-Q866 WeakPolarHBondContact O-CB 3.39Å; Q862-Q866 PolarHBondContact O-N 2.91Å; A863-Q866 PolarHBondContact O-N 3.21Å; Q866-I869 PolarHBondContact O-N 2.87Å; Q866-N870 WeakPolarHBondContact O-CB 3.48Å; Q866-N870 VanDerWaalsContact O-CG 3.27Å; Q866-N870 PolarHBondContact O-N 2.71Å; Q866-N870 PolarHBondContact O-ND2 2.86Å
867A53.5Low52.3Low54 Ų5493.6 Ų93.645%0.44653%0.526SS..Hα-helixtrans-67-43.2176.800000111.6A863 V864 I869 N870 E871A863-A867 VanDerWaalsContact O-CB 3.25Å; A863-A867 WeakPolarHBondContact O-CB 3.46Å; A863-A867 PolarHBondContact O-N 3.42Å; V864-A867 PolarHBondContact O-N 3.27Å; A867-I869 PolarHBondContact O-N 3.3Å; A867-N870 PolarHBondContact O-N 2.96Å; A867-E871 PolarHBondContact O-N 3.01Å
868A53.6Low52.2Low45 Ų4590.7 Ų90.737%0.37253%0.529SS..Hα-helixtrans-64.4-38.2175.900000112.4V864 L872V864-A868 WeakPolarHBondContact O-CB 3.48Å; V864-A868 PolarHBondContact O-N 3.44Å; A868-L872 WeakPolarHBondContact O-CB 3.43Å; A868-L872 WeakPolarHBondContact O-CD1 2.97Å; A868-L872 VanDerWaalsContact O-CG 3.31Å; A868-L872 WeakPolarHBondContact O-CG 3.36Å; A868-L872 PolarHBondContact O-N 2.94Å
869I61.4Low51.9Low113 Ų11398.7 Ų98.758%0.57955%0.547SS*.Hα-helixtrans-68.6-40.2175.6-69.1166.5000111G865 Q866 A867 S873G865-I869 WeakPolarHBondContact O-CB 3.4Å; G865-I869 WeakPolarHBondContact O-CD1 3.3Å; G865-I869 WeakPolarHBondContact O-CG1 3.41Å; G865-I869 PolarHBondContact O-N 3.17Å; Q866-I869 PolarHBondContact O-N 2.87Å; A867-I869 PolarHBondContact O-N 3.3Å; I869-S873 VanDerWaalsContact O-CB 3.25Å; I869-S873 WeakPolarHBondContact O-CB 3.43Å; I869-S873 PolarHBondContact O-N 3.34Å
870N55.9Low51.8Low95 Ų95100.9 Ų100.951%0.50856%0.555SS.*Hα-helixtrans-69.3-38177.9-76.7-15.2000112.5Q866 A867 S873 N874Q866-N870 WeakPolarHBondContact O-CB 3.48Å; Q866-N870 VanDerWaalsContact O-CG 3.27Å; Q866-N870 PolarHBondContact O-N 2.71Å; Q866-N870 PolarHBondContact O-ND2 2.86Å; A867-N870 PolarHBondContact O-N 2.96Å; N870-S873 PolarHBondContact O-N 2.92Å; N870-N874 WeakPolarHBondContact O-CB 3.47Å; N870-N874 VanDerWaalsContact O-CG 3.29Å; N870-N874 PolarHBondContact O-N 2.9Å; N870-N874 PolarHBondContact O-ND2 2.81Å
871E57.2Low51.4Low149 Ų149109.5 Ų109.570%0.69659%0.586SS**Hα-helixtrans-68.5-41.3173.6-85.6-168149.600112.4A867 S873 N874 A875A867-E871 PolarHBondContact O-N 3.01Å; E871-S873 VanDerWaalsContact C-N 3.34Å; E871-S873 PolarHBondContact O-N 3.28Å; E871-N874 PolarHBondContact O-N 3.17Å; E871-A875 WeakPolarHBondContact O-CB 3.08Å; E871-A875 PolarHBondContact O-N 3.23Å
872L52.1Low51.7Low107 Ų107109.1 Ų109.156%0.5658%0.583SS**Hα-helixtrans-63.9-40.1174.3-78.9164.5000111.6A868 A875 F876A868-L872 WeakPolarHBondContact O-CB 3.43Å; A868-L872 WeakPolarHBondContact O-CD1 2.97Å; A868-L872 VanDerWaalsContact O-CG 3.31Å; A868-L872 WeakPolarHBondContact O-CG 3.36Å; A868-L872 PolarHBondContact O-N 2.94Å; L872-A875 PolarHBondContact O-N 3.34Å; L872-F876 WeakPolarHBondContact O-CD2 3.19Å; L872-F876 PolarHBondContact O-N 3.23Å
873S55Low51.7Low63 Ų63107.7 Ų107.744%0.44158%0.581SS.*Hα-helixtrans-65.7-39.8176.4-171.10000112.4I869 N870 E871 F876 S877I869-S873 VanDerWaalsContact O-CB 3.25Å; I869-S873 WeakPolarHBondContact O-CB 3.43Å; I869-S873 PolarHBondContact O-N 3.34Å; N870-S873 PolarHBondContact O-N 2.92Å; E871-S873 VanDerWaalsContact C-N 3.34Å; E871-S873 PolarHBondContact O-N 3.28Å; S873-F876 PolarHBondContact O-N 3.04Å; S873-S877 WeakPolarHBondContact O-CB 3.23Å; S873-S877 PolarHBondContact O-N 2.93Å; S873-S877 PolarHBondContact O-OG 3.06Å
874N55.3Low51.8Low114 Ų114110.3 Ų110.361%0.6159%0.586SS**Hα-helixtrans-68.4-39175-76.6-23000112.3N870 E871 S877 S878N870-N874 WeakPolarHBondContact O-CB 3.47Å; N870-N874 VanDerWaalsContact O-CG 3.29Å; N870-N874 PolarHBondContact O-N 2.9Å; N870-N874 PolarHBondContact O-ND2 2.81Å; E871-N874 PolarHBondContact O-N 3.17Å; N874-S877 PolarHBondContact O-N 3.18Å; N874-S878 PolarHBondContact O-N 3.46Å; N874-S878 PolarHBondContact O-OG 3.25Å
875A50.8Low51.6Low51 Ų51111.5 Ų111.542%0.42159%0.588SS.*Hα-helixtrans-67-36.5175.900000112.7E871 L872 S878E871-A875 WeakPolarHBondContact O-CB 3.08Å; E871-A875 PolarHBondContact O-N 3.23Å; L872-A875 PolarHBondContact O-N 3.34Å; A875-S878 PolarHBondContact O-OG 2.84Å
876F47.6Very low51.2Low141 Ų141116.5 Ų116.562%0.61860%0.604SS**Hα-helixtrans-70.5-36.1173-95.3-86000112.4L872 S873 S878 R879L872-F876 WeakPolarHBondContact O-CD2 3.19Å; L872-F876 PolarHBondContact O-N 3.23Å; S873-F876 PolarHBondContact O-N 3.04Å; F876-S878 VanDerWaalsContact C-N 3.33Å; F876-S878 PolarHBondContact O-N 2.69Å; F876-R879 PolarHBondContact O-N 2.64Å
877S49.8Very low51.3Low73 Ų73116.4 Ų116.451%0.5161%0.608SS.*Hα-helixtrans-69.5-28.9178-59.50000112.9S873 N874 R879S873-S877 WeakPolarHBondContact O-CB 3.23Å; S873-S877 PolarHBondContact O-N 2.93Å; S873-S877 PolarHBondContact O-OG 3.06Å; N874-S877 PolarHBondContact O-N 3.18Å; S877-R879 VanDerWaalsContact C-N 3.3Å; S877-R879 PolarHBondContact O-N 3.29Å
878S47.6Very low51.1Low92 Ų92120.9 Ų120.964%0.64362%0.619SS**THydrogen-bonded Turntrans-76.9-9.7174.660.40000115N874 A875 F876N874-S878 PolarHBondContact O-N 3.46Å; N874-S878 PolarHBondContact O-OG 3.25Å; A875-S878 PolarHBondContact O-OG 2.84Å; F876-S878 VanDerWaalsContact C-N 3.33Å; F876-S878 PolarHBondContact O-N 2.69Å
879R43.8Very low50.9Low210 Ų210126.7 Ų126.779%0.79264%0.638SS**THydrogen-bonded Turntrans-96.9-4.8-180-109-176.1-177.1-177.22.1114.4F876 S877F876-R879 PolarHBondContact O-N 2.64Å; S877-R879 VanDerWaalsContact C-N 3.3Å; S877-R879 PolarHBondContact O-N 3.29Å
880F45.9Very low50.1Low179 Ų179127.8 Ų127.879%0.78564%0.643SS**  trans-128.131.8-179.9-75.2-79.1000113.3
881K39.9Very low49.5Very low260 Ų260130.8 Ų130.8100%1.1366%0.655SS**  trans-120.90161.4-84.1-170.3177.4179.80110.6

Retrieved 881 of 881 residues in 490.7 ms (Link to these results)

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