A0A096NYR0_PAPAN Loading...

Dynamin-1-like protein

AlphaFold DB (A0A2K5E1J8), UniProt , Accession A0A096NYR0, Species PAPAN (Papio anubis, Olive baboon), Gene DNM1L, Length 749 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
1M42.5Very low63.6Low170 Ų17052.1 Ų52.184%0.83727%0.272SS*.  0-46.90-99.3-177.7-84.200113.5A3 L4 M307M1-A3 PolarHBondContact O-N 3.22Å; M1-L4 PolarHBondContact O-N 3.34Å; M1-M307 HydrophobicContact CB-CE 3.94Å; M1-M307 HydrophobicContact CG-CE 3.88Å; M1-M307 WeakPolarHBondContact O-CE 3.35Å
2E52.8Low64.1Low160 Ų16049.3 Ų49.375%0.74826%0.257SS*.THydrogen-bonded Turntrans-56.8-20.2-175-65.4170.3171.500115.7L4 P6E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.49Å; E2-P6 VanDerWaalsContact O-CD 3.25Å; E2-P6 WeakPolarHBondContact O-CD 3.5Å
3A58.6Low64.5Low50 Ų5049.9 Ų49.941%0.41326%0.26SS..THydrogen-bonded Turntrans-66.5-21.7178.600000115.8M1 I5 P6 V7M1-A3 PolarHBondContact O-N 3.22Å; A3-I5 PolarHBondContact O-N 3.21Å; A3-P6 WeakPolarHBondContact O-CD 3.36Å; A3-V7 WeakPolarHBondContact O-CG2 3.49Å; A3-V7 PolarHBondContact O-N 3.41Å
4L63.6Low64.9Low5 Ų548.8 Ų48.83%0.02626%0.257CS..Hα-helixtrans-66.5-34.7-173.2-87.3-179.9000114.1M1 E2 V7 I8 M307 I310 L314 I743 H747M1-L4 PolarHBondContact O-N 3.34Å; E2-L4 VanDerWaalsContact C-N 3.34Å; E2-L4 PolarHBondContact O-N 3.49Å; L4-V7 PolarHBondContact O-N 2.58Å; L4-I8 PolarHBondContact O-N 3.39Å; L4-I8 VanDerWaalsContact O-N 3.13Å; L4-M307 HydrophobicContact CB-CE 3.83Å; L4-M307 HydrophobicContact CB-SD 3.83Å; L4-M307 HydrophobicContact CD1-CE 3.52Å; L4-M307 HydrophobicContact CD1-SD 4.37Å; L4-M307 HydrophobicContact CG-CE 4.12Å; L4-I310 HydrophobicContact CB-CG2 4.26Å; L4-I310 HydrophobicContact CD1-CG2 3.99Å; L4-I310 HydrophobicContact CD2-CG2 4.1Å; L4-I310 HydrophobicContact CG-CG2 4.36Å; L4-L314 HydrophobicContact CD2-CD1 3.64Å; L4-I743 HydrophobicContact CD2-CD1 4.35Å; L4-I743 HydrophobicContact CD2-CG1 4.45Å; L4-I743 HydrophobicContact CD2-CG2 3.58Å; L4-H747 WeakPolarHBondContact CD1-NE2 3.48Å
5I65.8Low65Low3 Ų345.8 Ų45.82%0.01524%0.241CC..Hα-helixtrans-75.9-46.1-176.7-60175.7000111.5A3 V7 I8 N9 N154 N303 L306 M307 I310A3-I5 PolarHBondContact O-N 3.21Å; I5-V7 PolarHBondContact O-N 2.82Å; I5-I8 PolarHBondContact O-N 2.86Å; I5-I8 VanDerWaalsContact O-N 3.17Å; I5-N9 WeakPolarHBondContact O-CB 3.5Å; I5-N9 PolarHBondContact O-N 2.98Å; I5-N9 PolarHBondContact O-ND2 3.1Å; I5-N9 PolarHBondContact O-OD1 3Å; I5-N154 HydrophobicContact CB-CB 3.9Å; I5-N154 HydrophobicContact CD1-CB 3.85Å; I5-N154 WeakPolarHBondContact CD1-O 3.39Å; I5-N154 HydrophobicContact CG1-CB 4.44Å; I5-N154 HydrophobicContact CG2-CB 3.84Å; I5-N303 WeakPolarHBondContact CD1-OD1 3.17Å; I5-L306 HydrophobicContact CD1-CD2 4.22Å; I5-M307 HydrophobicContact CD1-CG 4.23Å; I5-M307 HydrophobicContact CD1-SD 3.94Å; I5-M307 HydrophobicContact CG1-SD 3.82Å; I5-I310 HydrophobicContact CG1-CD1 4.01Å
6P68.7Low65Low50 Ų5047.3 Ų47.333%0.32525%0.249SC..Hα-helixtrans-51.1-35167.2-29.435.6000114E2 A3 N9 K10E2-P6 VanDerWaalsContact O-CD 3.25Å; E2-P6 WeakPolarHBondContact O-CD 3.5Å; A3-P6 WeakPolarHBondContact O-CD 3.36Å; P6-N9 WeakPolarHBondContact O-CB 3.32Å; P6-N9 PolarHBondContact O-N 3.42Å; P6-K10 WeakPolarHBondContact O-CG 3.21Å; P6-K10 PolarHBondContact O-N 3.28Å
7V67.9Low64.8Low16 Ų1651.6 Ų51.610%0.09728%0.278CS..Hα-helixtrans-70.6-44.4177.6172.60000112.4A3 L4 I5 N9 K10 L11 I739 I743A3-V7 WeakPolarHBondContact O-CG2 3.49Å; A3-V7 PolarHBondContact O-N 3.41Å; L4-V7 PolarHBondContact O-N 2.58Å; I5-V7 PolarHBondContact O-N 2.82Å; V7-N9 PolarHBondContact O-N 2.98Å; V7-K10 WeakPolarHBondContact O-CB 3.08Å; V7-K10 PolarHBondContact O-N 2.94Å; V7-K10 VanDerWaalsContact O-N 3.15Å; V7-L11 HydrophobicContact CG1-CD1 4.48Å; V7-L11 WeakPolarHBondContact O-CG 3.23Å; V7-L11 PolarHBondContact O-N 3.45Å; V7-I739 HydrophobicContact CG1-CG2 3.49Å; V7-I739 VanDerWaalsContact CG1-CG2 3.49Å; V7-I743 HydrophobicContact CB-CD1 4.37Å; V7-I743 HydrophobicContact CB-CG1 4.26Å; V7-I743 HydrophobicContact CG1-CD1 3.44Å; V7-I743 VanDerWaalsContact CG1-CD1 3.44Å; V7-I743 HydrophobicContact CG1-CG1 3.56Å; V7-I743 HydrophobicContact CG2-CG1 4.27Å
8I69.6Low64.5Low5 Ų551.3 Ų51.33%0.02628%0.278CS..Hα-helixtrans-63.5-33.8173-82.9153.3000112.2L4 I5 L11 Q12 P26 I310L4-I8 PolarHBondContact O-N 3.39Å; L4-I8 VanDerWaalsContact O-N 3.13Å; I5-I8 PolarHBondContact O-N 2.86Å; I5-I8 VanDerWaalsContact O-N 3.17Å; I8-L11 HydrophobicContact CG1-CD1 4.42Å; I8-L11 CarbonylContact O-C 3.47Å; I8-L11 WeakPolarHBondContact O-CB 3.36Å; I8-L11 PolarHBondContact O-N 3.47Å; I8-L11 VanDerWaalsContact O-N 3.17Å; I8-Q12 HydrophobicContact CG2-CG 4.33Å; I8-Q12 WeakPolarHBondContact O-CB 3.48Å; I8-Q12 WeakPolarHBondContact O-CG 3.07Å; I8-Q12 PolarHBondContact O-N 3.33Å; I8-P26 HydrophobicContact CD1-CG 3.63Å; I8-P26 HydrophobicContact CG1-CG 4.34Å; I8-I310 HydrophobicContact CD1-CB 3.9Å; I8-I310 HydrophobicContact CD1-CD1 3.39Å; I8-I310 HydrophobicContact CD1-CG1 3.29Å; I8-I310 HydrophobicContact CD1-CG2 3.36Å
9N69.3Low63.9Low9 Ų952.1 Ų52.15%0.04830%0.299CS..Hα-helixtrans-63.4-41.7173.7-64-21.4000111.4I5 P6 V7 Q12 D13 Q66 T156I5-N9 WeakPolarHBondContact O-CB 3.5Å; I5-N9 PolarHBondContact O-N 2.98Å; I5-N9 PolarHBondContact O-ND2 3.1Å; I5-N9 PolarHBondContact O-OD1 3Å; P6-N9 WeakPolarHBondContact O-CB 3.32Å; P6-N9 PolarHBondContact O-N 3.42Å; V7-N9 PolarHBondContact O-N 2.98Å; N9-Q12 PolarHBondContact O-N 3.48Å; N9-D13 PolarHBondContact O-N 3.01Å; N9-Q66 VanDerWaalsContact CB-NE2 3.3Å; N9-Q66 PolarHBondContact ND2-NE2 3.39Å; N9-Q66 PolarHBondContact OD1-NE2 2.62Å; N9-T156 PolarHBondContact OD1-OG1 3.3Å
10K71.6Confident63.2Low105 Ų10550.3 Ų50.346%0.45729%0.291SS..Hα-helixtrans-60.4-42.1170.1-71.7179.7177.5-1750111.9P6 V7 D13 V14 I739P6-K10 WeakPolarHBondContact O-CG 3.21Å; P6-K10 PolarHBondContact O-N 3.28Å; V7-K10 WeakPolarHBondContact O-CB 3.08Å; V7-K10 PolarHBondContact O-N 2.94Å; V7-K10 VanDerWaalsContact O-N 3.15Å; K10-D13 PolarHBondContact O-N 3.4Å; K10-V14 WeakPolarHBondContact O-CG2 3.45Å; K10-V14 PolarHBondContact O-N 2.69Å; K10-I739 HydrophobicContact CB-CD1 4.32Å; K10-I739 HydrophobicContact CB-CG2 4.43Å
11L69.6Low62.8Low0 Ų054.2 Ų54.20%031%0.311CS..Hα-helixtrans-64.4-44.1177-67.1173.2000111.8V7 I8 D13 V14 F15 L25 A736 I739 I740V7-L11 HydrophobicContact CG1-CD1 4.48Å; V7-L11 WeakPolarHBondContact O-CG 3.23Å; V7-L11 PolarHBondContact O-N 3.45Å; I8-L11 HydrophobicContact CG1-CD1 4.42Å; I8-L11 CarbonylContact O-C 3.47Å; I8-L11 WeakPolarHBondContact O-CB 3.36Å; I8-L11 PolarHBondContact O-N 3.47Å; I8-L11 VanDerWaalsContact O-N 3.17Å; L11-D13 PolarHBondContact O-N 3.1Å; L11-V14 PolarHBondContact O-N 2.96Å; L11-F15 HydrophobicContact CB-CD2 4.42Å; L11-F15 HydrophobicContact CB-CE2 4.24Å; L11-F15 HydrophobicContact CD2-CE2 4.36Å; L11-F15 WeakPolarHBondContact O-CD2 3.45Å; L11-F15 PolarHBondContact O-N 2.94Å; L11-L25 HydrophobicContact CB-CD2 4.41Å; L11-A736 HydrophobicContact CD2-CB 3.7Å; L11-I739 HydrophobicContact CD2-CB 3.99Å; L11-I739 HydrophobicContact CD2-CD1 4.39Å; L11-I739 HydrophobicContact CD2-CG2 3.67Å; L11-I739 HydrophobicContact CG-CG2 3.87Å; L11-I740 HydrophobicContact CD1-CD1 4.07Å; L11-I740 HydrophobicContact CD1-CG1 3.87Å; L11-I740 HydrophobicContact CD2-CD1 4.33Å; L11-I740 HydrophobicContact CD2-CG1 4.21Å
12Q69.1Low63.4Low19 Ų1949.2 Ų49.29%0.08929%0.287CS..Hα-helixtrans-57.4-47.3173.8-76.8177.6-16.800111.1I8 N9 V14 F15 N16 L25I8-Q12 HydrophobicContact CG2-CG 4.33Å; I8-Q12 WeakPolarHBondContact O-CB 3.48Å; I8-Q12 WeakPolarHBondContact O-CG 3.07Å; I8-Q12 PolarHBondContact O-N 3.33Å; N9-Q12 PolarHBondContact O-N 3.48Å; Q12-V14 PolarHBondContact O-N 3.23Å; Q12-F15 PolarHBondContact O-N 2.99Å; Q12-N16 VanDerWaalsContact O-CB 3.24Å; Q12-N16 WeakPolarHBondContact O-CB 3.35Å; Q12-N16 PolarHBondContact O-N 2.66Å; Q12-N16 PolarHBondContact O-ND2 3.41Å; Q12-L25 HydrophobicContact CB-CD1 4.21Å; Q12-L25 HydrophobicContact CG-CD1 3.43Å; Q12-L25 VanDerWaalsContact CG-CD1 3.43Å
13D69.9Low63.8Low57 Ų5742.2 Ų42.231%0.30525%0.254SS..Hα-helixtrans-60.7-44.5177.4-73.9-28.5000112.1N9 K10 L11 N16 T17 K146N9-D13 PolarHBondContact O-N 3.01Å; K10-D13 PolarHBondContact O-N 3.4Å; L11-D13 PolarHBondContact O-N 3.1Å; D13-N16 PolarHBondContact O-N 3.19Å; D13-T17 WeakPolarHBondContact O-CG2 3.5Å; D13-T17 PolarHBondContact O-N 3.39Å; D13-T17 VanDerWaalsContact O-N 3.15Å; D13-K146 IonicContact OD1-NZ 3.25Å; D13-K146 PolarHBondContact OD1-NZ 2.86Å; D13-K146 IonicContact OD2-NZ 2.68Å; D13-K146 PolarHBondContact OD2-NZ 3.27Å
14V69.7Low64.1Low34 Ų3443.3 Ų43.321%0.20625%0.251CS..Hα-helixtrans-59.7-52175.21700000110.9K10 L11 Q12 N16 T17 V18 A732 I739K10-V14 WeakPolarHBondContact O-CG2 3.45Å; K10-V14 PolarHBondContact O-N 2.69Å; L11-V14 PolarHBondContact O-N 2.96Å; Q12-V14 PolarHBondContact O-N 3.23Å; V14-N16 VanDerWaalsContact C-N 3.34Å; V14-N16 PolarHBondContact O-N 2.89Å; V14-T17 PolarHBondContact O-N 3.07Å; V14-T17 PolarHBondContact O-OG1 3.35Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.46Å; V14-A732 HydrophobicContact CG1-CB 3.96Å; V14-I739 HydrophobicContact CG2-CD1 4.02Å
15F66.1Low64.2Low4 Ų444 Ų442%0.01825%0.254CS..Hα-helixtrans-68.4-30.5-177.7-67-56000113.9L11 Q12 V18 G19 A20 I23 L25 I321 L733 A736L11-F15 HydrophobicContact CB-CD2 4.42Å; L11-F15 HydrophobicContact CB-CE2 4.24Å; L11-F15 HydrophobicContact CD2-CE2 4.36Å; L11-F15 WeakPolarHBondContact O-CD2 3.45Å; L11-F15 PolarHBondContact O-N 2.94Å; Q12-F15 PolarHBondContact O-N 2.99Å; F15-V18 PolarHBondContact O-N 3.14Å; F15-G19 PolarHBondContact O-N 2.77Å; F15-A20 PolarHBondContact O-N 2.95Å; F15-I23 HydrophobicContact CD1-CD1 4.01Å; F15-I23 HydrophobicContact CD2-CG2 4.2Å; F15-I23 HydrophobicContact CE1-CD1 3.36Å; F15-I23 HydrophobicContact CE2-CD1 4.16Å; F15-I23 HydrophobicContact CE2-CG2 3.95Å; F15-I23 HydrophobicContact CZ-CD1 3.44Å; F15-I23 VanDerWaalsContact CZ-CD1 3.44Å; F15-I23 HydrophobicContact CZ-CG2 4.31Å; F15-L25 HydrophobicContact CD2-CD1 4.02Å; F15-L25 HydrophobicContact CD2-CD2 4.32Å; F15-L25 HydrophobicContact CE2-CD2 4.38Å; F15-I321 HydrophobicContact CE2-CD1 4.47Å; F15-I321 HydrophobicContact CZ-CD1 4.06Å; F15-I321 HydrophobicContact CZ-CG1 4.36Å; F15-L733 HydrophobicContact CE1-CD2 4.02Å; F15-L733 HydrophobicContact CZ-CD2 4.47Å; F15-A736 HydrophobicContact CE1-CB 4.2Å; F15-A736 HydrophobicContact CE2-CB 4.09Å; F15-A736 HydrophobicContact CZ-CB 3.47Å; F15-A736 VanDerWaalsContact CZ-CB 3.47Å
16N65.3Low64.5Low70 Ų7044 Ų4437%0.37426%0.255SS..Hα-helixtrans-65.6-35172.6-76.8-14.1000112.4Q12 D13 V14 V18 G19 H144Q12-N16 VanDerWaalsContact O-CB 3.24Å; Q12-N16 WeakPolarHBondContact O-CB 3.35Å; Q12-N16 PolarHBondContact O-N 2.66Å; Q12-N16 PolarHBondContact O-ND2 3.41Å; D13-N16 PolarHBondContact O-N 3.19Å; V14-N16 VanDerWaalsContact C-N 3.34Å; V14-N16 PolarHBondContact O-N 2.89Å; N16-V18 VanDerWaalsContact C-N 3.3Å; N16-V18 PolarHBondContact O-N 3.32Å; N16-G19 PolarHBondContact O-N 3.1Å; N16-H144 PolarHBondContact ND2-NE2 3.47Å
17T62.4Low65.1Low121 Ų12143 Ų4374%0.74225%0.246SC*.Hα-helixtrans-68.9-23.8177.355.40000114.6D13 V14D13-T17 WeakPolarHBondContact O-CG2 3.5Å; D13-T17 PolarHBondContact O-N 3.39Å; D13-T17 VanDerWaalsContact O-N 3.15Å; V14-T17 PolarHBondContact O-N 3.07Å; V14-T17 PolarHBondContact O-OG1 3.35Å
18V59.3Low66.1Low45 Ų4542.2 Ų42.227%0.27324%0.241SC..THydrogen-bonded Turntrans-99.51.7174.7-98.30000113.8V14 F15 N16 A20 M729 A732V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.46Å; F15-V18 PolarHBondContact O-N 3.14Å; N16-V18 VanDerWaalsContact C-N 3.3Å; N16-V18 PolarHBondContact O-N 3.32Å; V18-A20 VanDerWaalsContact C-N 3.33Å; V18-A20 PolarHBondContact O-N 2.71Å; V18-M729 HydrophobicContact CB-SD 3.69Å; V18-M729 HydrophobicContact CG1-SD 3.95Å; V18-M729 HydrophobicContact CG2-SD 4.18Å; V18-A732 HydrophobicContact CB-CB 4.47Å; V18-A732 HydrophobicContact CG1-CB 4.06Å; V18-A732 HydrophobicContact CG2-CB 3.57Å
19G53Low67.2Low66 Ų6642 Ų4268%0.6824%0.24SC*.THydrogen-bonded Turntrans66.928.3177.300000114.7F15 N16 D21F15-G19 PolarHBondContact O-N 2.77Å; N16-G19 PolarHBondContact O-N 3.1Å; G19-D21 PolarHBondContact O-N 2.79Å
20A50Low68.3Low16 Ų1641.6 Ų41.613%0.13224%0.238CC..  trans-93.794.5-166.600000114.3F15 V18 I22 M729F15-A20 PolarHBondContact O-N 2.95Å; V18-A20 VanDerWaalsContact C-N 3.33Å; V18-A20 PolarHBondContact O-N 2.71Å; A20-I22 PolarHBondContact O-N 2.91Å; A20-M729 HydrophobicContact CB-CE 4.05Å; A20-M729 HydrophobicContact CB-SD 4.25Å
21D53.4Low69.4Low133 Ų13336.6 Ų36.671%0.71122%0.216SC*.THydrogen-bonded Turntrans-61.2-4.2164.8-95.413.5000113.3G19 I23 R185G19-D21 PolarHBondContact O-N 2.79Å; D21-I23 PolarHBondContact O-N 3.1Å; D21-R185 IonicContact OD2-CZ 3.14Å; D21-R185 IonicContact OD2-NH2 3.47Å; D21-R185 PolarHBondContact OD2-NH2 3.43Å
22I54.8Low70.5Confident65 Ų6536.7 Ų36.733%0.33322%0.217SC..THydrogen-bonded Turntrans-73.1-22.7-168-54.9174.4000113A20 R320 L324 Y328 M729A20-I22 PolarHBondContact O-N 2.91Å; I22-R320 PolarHBondContact O-NE 3.31Å; I22-R320 PolarHBondContact O-NH2 2.7Å; I22-L324 HydrophobicContact CG2-CD1 3.93Å; I22-L324 HydrophobicContact CG2-CD2 4.12Å; I22-Y328 WeakPolarHBondContact CD1-OH 3.3Å; I22-M729 HydrophobicContact CD1-CE 4.17Å
23I62.5Low71.5Confident14 Ų1438.1 Ų38.17%0.07223%0.227CC..SBendtrans-117.7116.9-171.2-74.5170.2000111.8F15 D21 L25 L317 I321 L324 L733F15-I23 HydrophobicContact CD1-CD1 4.01Å; F15-I23 HydrophobicContact CD2-CG2 4.2Å; F15-I23 HydrophobicContact CE1-CD1 3.36Å; F15-I23 HydrophobicContact CE2-CD1 4.16Å; F15-I23 HydrophobicContact CE2-CG2 3.95Å; F15-I23 HydrophobicContact CZ-CD1 3.44Å; F15-I23 VanDerWaalsContact CZ-CD1 3.44Å; F15-I23 HydrophobicContact CZ-CG2 4.31Å; D21-I23 PolarHBondContact O-N 3.1Å; I23-L25 HydrophobicContact CG2-CD2 3.87Å; I23-L25 HydrophobicContact CG2-CG 4.13Å; I23-L25 PolarHBondContact O-N 3.48Å; I23-L317 HydrophobicContact CG2-CD1 3.54Å; I23-I321 HydrophobicContact CD1-CG1 3.9Å; I23-L324 HydrophobicContact CD1-CD1 3.88Å; I23-L324 HydrophobicContact CG1-CD1 3.86Å; I23-L733 HydrophobicContact CD1-CD2 3.68Å
24Q64.8Low72.2Confident72 Ų7238.7 Ų38.734%0.33623%0.228SC..  trans-82.893.9-178.3-76.5176.7-2400111.5N189 N191Q24-N189 WeakPolarHBondContact CB-OD1 3.31Å; Q24-N191 PolarHBondContact O-ND2 3.49Å
25L66.6Low72.8Confident19 Ų1941.3 Ų41.310%0.09925%0.248CC..  trans-80.8148.8177.4-60.5168.9000111.2L11 Q12 F15 I23 N189 L317L11-L25 HydrophobicContact CB-CD2 4.41Å; Q12-L25 HydrophobicContact CB-CD1 4.21Å; Q12-L25 HydrophobicContact CG-CD1 3.43Å; Q12-L25 VanDerWaalsContact CG-CD1 3.43Å; F15-L25 HydrophobicContact CD2-CD1 4.02Å; F15-L25 HydrophobicContact CD2-CD2 4.32Å; F15-L25 HydrophobicContact CE2-CD2 4.38Å; I23-L25 HydrophobicContact CG2-CD2 3.87Å; I23-L25 HydrophobicContact CG2-CG 4.13Å; I23-L25 PolarHBondContact O-N 3.48Å; L25-N189 PolarHBondContact O-ND2 3.46Å; L25-L317 HydrophobicContact CD2-CD2 4Å
26P71.2Confident73.8Confident5 Ų541.2 Ų41.23%0.03225%0.248CC..  trans-71.8129.2179.328.3-33.8000111.7I8 N191 I310I8-P26 HydrophobicContact CD1-CG 3.63Å; I8-P26 HydrophobicContact CG1-CG 4.34Å; P26-N191 WeakPolarHBondContact CA-O 3.49Å; P26-I310 HydrophobicContact CB-CG1 4.12Å; P26-I310 HydrophobicContact CG-CG1 3.73Å
27Q80.9Confident74.8Confident27 Ų2738.6 Ų38.613%0.12624%0.237CC..EExtended strand (participates in β ladder)trans-149152.2-174.661.8-177.17.500111.9V29 V158 S192 I193Q27-V29 HydrophobicContact CG-CG2 3.98Å; Q27-V158 HydrophobicContact CB-CG2 4.42Å; Q27-S192 CarbonylContact O-C 3.07Å; Q27-S192 WeakPolarHBondContact O-CA 3.39Å; Q27-I193 PolarHBondContact O-N 2.67Å
28I89.1Confident76Confident0 Ų033.4 Ų33.40%020%0.204CC..EExtended strand (participates in β ladder)trans-95.7122.5171.1-60.4162.3000108.5L155 T156 L157 V158 I193 L195 L302 L306I28-L155 HydrophobicContact CD1-CD1 3.54Å; I28-L155 HydrophobicContact CD1-CG 4.08Å; I28-T156 PolarHBondContact N-O 2.71Å; I28-L157 CarbonylContact O-C 3.58Å; I28-L157 WeakPolarHBondContact O-CA 2.92Å; I28-V158 PolarHBondContact O-N 3.32Å; I28-I193 CarbonylContact C-O 3.56Å; I28-I193 WeakPolarHBondContact CA-O 3.34Å; I28-I193 HydrophobicContact CG1-CB 4.19Å; I28-I193 HydrophobicContact CG1-CD1 4.43Å; I28-I193 HydrophobicContact CG1-CG2 4.48Å; I28-L195 HydrophobicContact CG2-CB 4.11Å; I28-L302 HydrophobicContact CD1-CB 4.22Å; I28-L302 HydrophobicContact CD1-CD2 4.24Å; I28-L306 HydrophobicContact CD1-CB 4.25Å; I28-L306 HydrophobicContact CD1-CD2 4.2Å; I28-L306 HydrophobicContact CG1-CD1 4.44Å
29V92.2Very high77.3Confident0 Ų032.5 Ų32.50%020%0.2CC..EExtended strand (participates in β ladder)trans-109.9121.8-178.5-175.70000109.6Q27 V31 V158 L160 F186 I187 I193 L195Q27-V29 HydrophobicContact CG-CG2 3.98Å; V29-V31 HydrophobicContact CG1-CG1 4.27Å; V29-V158 HydrophobicContact CG2-CB 4.47Å; V29-V158 HydrophobicContact CG2-CG2 4.48Å; V29-L160 HydrophobicContact CG1-CD1 3.35Å; V29-L160 HydrophobicContact CG1-CG 4Å; V29-F186 HydrophobicContact CG1-CB 3.87Å; V29-F186 HydrophobicContact CG2-CB 4.16Å; V29-I187 HydrophobicContact CB-CG2 4.01Å; V29-I187 HydrophobicContact CG1-CG2 3.62Å; V29-I193 PolarHBondContact N-O 3.3Å; V29-L195 PolarHBondContact O-N 3.03Å
30V93.6Very high79Confident1 Ų130.8 Ų30.81%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-91.1119.5-177.3-169.90000110.5K38 L42 V158 L195 V197V30-K38 HydrophobicContact CG1-CB 4.08Å; V30-K38 HydrophobicContact CG1-CD 3.95Å; V30-K38 HydrophobicContact CG1-CG 3.87Å; V30-L42 HydrophobicContact CG2-CD2 4.06Å; V30-V158 PolarHBondContact N-O 3.18Å; V30-L195 HydrophobicContact CG1-CD2 4.38Å; V30-L195 HydrophobicContact CG2-CB 4.37Å; V30-L195 HydrophobicContact CG2-CD2 4.03Å; V30-V197 HydrophobicContact CG1-CG2 3.67Å
31V94.1Very high80.9Confident1 Ų130.1 Ų30.11%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-122.8144.5-179.7-58.60000111.3V29 L160 I183 I187 I194 L195 A196 V197V29-V31 HydrophobicContact CG1-CG1 4.27Å; V31-L160 HydrophobicContact CG1-CD1 4.4Å; V31-I183 HydrophobicContact CB-CG2 4.47Å; V31-I183 HydrophobicContact CG1-CG2 3.57Å; V31-I187 HydrophobicContact CG1-CG2 3.8Å; V31-I194 HydrophobicContact CG1-CG2 4.34Å; V31-I194 HydrophobicContact CG2-CG2 3.56Å; V31-L195 PolarHBondContact N-O 3Å; V31-A196 HydrophobicContact CG2-CB 4.31Å; V31-V197 PolarHBondContact O-N 3.48Å
32G91.9Very high82.6Confident1 Ų123.8 Ų23.81%0.0114%0.138CC..  trans164.2160.3178.700000113.6K38 G162 M163G32-K38 PolarHBondContact O-NZ 2.78Å; G32-G162 WeakPolarHBondContact O-CA 3.27Å; G32-M163 PolarHBondContact O-N 2.8Å
33T90Very high84.2Confident49 Ų4920.7 Ų20.730%0.30112%0.122SC..BIsolated β-bridgetrans-60.4161.1178.7520000112.2S35 S36 K38 E208T33-S35 PolarHBondContact O-N 2.75Å; T33-S36 WeakPolarHBondContact O-CB 3.28Å; T33-S36 PolarHBondContact O-N 3.46Å; T33-S36 PolarHBondContact O-OG 3.45Å; T33-K38 PolarHBondContact O-NZ 3.17Å; T33-E208 HydrophobicContact CG2-CB 3.91Å; T33-E208 HydrophobicContact CG2-CG 4Å
34Q84.7Confident85.3Confident69 Ų6920.4 Ų20.432%0.32212%0.121SC..THydrogen-bonded Turntrans-52.5140.7165.4-166.5-166.4-2.200109.8S36 G56 M163 T164Q34-S36 PolarHBondContact O-N 3.19Å; Q34-S36 VanDerWaalsContact O-N 3.1Å; Q34-G56 VanDerWaalsContact NE2-CA 3.3Å; Q34-G56 PolarHBondContact NE2-O 3.45Å; Q34-M163 PolarHBondContact N-O 3.19Å; Q34-T164 HydrophobicContact CB-CG2 3.91Å; Q34-T164 HydrophobicContact CG-CG2 4.34Å; Q34-T164 VanDerWaalsContact OE1-CG2 3.31Å
35S83.6Confident86.3Confident90 Ų9017.7 Ų17.763%0.62911%0.109SC*.THydrogen-bonded Turntrans61.911.9-179.7-52.70000116.5T33 G37 K229T33-S35 PolarHBondContact O-N 2.75Å; S35-G37 PolarHBondContact O-N 2.92Å; S35-K229 VanDerWaalsContact O-CE 3.29Å; S35-K229 WeakPolarHBondContact O-CE 3.23Å; S35-K229 PolarHBondContact O-NZ 3.12Å
36S86.7Confident87.1Confident2 Ų217.2 Ų17.21%0.01411%0.107CC..SBendtrans-71.1-6.5171.477.20000114.3T33 Q34 V197 T228T33-S36 WeakPolarHBondContact O-CB 3.28Å; T33-S36 PolarHBondContact O-N 3.46Å; T33-S36 PolarHBondContact O-OG 3.45Å; Q34-S36 PolarHBondContact O-N 3.19Å; Q34-S36 VanDerWaalsContact O-N 3.1Å; S36-V197 WeakPolarHBondContact CB-O 3.41Å; S36-V197 PolarHBondContact OG-O 3.4Å; S36-V197 VanDerWaalsContact OG-O 3.05Å; S36-T228 WeakPolarHBondContact O-CG2 3.41Å; S36-T228 PolarHBondContact O-OG1 3.35Å
37G86Confident87.6Confident15 Ų1518.7 Ų18.716%0.15512%0.123CC..SBendtrans92.313.717800000115.5S35 S39 S40 V41S35-G37 PolarHBondContact O-N 2.92Å; G37-S39 PolarHBondContact O-N 2.89Å; G37-S40 WeakPolarHBondContact O-CB 3.35Å; G37-S40 PolarHBondContact O-N 2.54Å; G37-S40 VanDerWaalsContact O-N 3.12Å; G37-V41 WeakPolarHBondContact O-CG2 3.34Å; G37-V41 PolarHBondContact O-N 2.91Å
38K88.4Confident87.7Confident12 Ų1222.7 Ų22.75%0.05214%0.137CC..Hα-helixtrans-44.1-59.2175.9-67.6-170.4-63.1-67.40113.1V30 G32 T33 S40 V41 L42 L160 V197V30-K38 HydrophobicContact CG1-CB 4.08Å; V30-K38 HydrophobicContact CG1-CD 3.95Å; V30-K38 HydrophobicContact CG1-CG 3.87Å; G32-K38 PolarHBondContact O-NZ 2.78Å; T33-K38 PolarHBondContact O-NZ 3.17Å; K38-S40 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 2.83Å; K38-V41 WeakPolarHBondContact O-CB 3.47Å; K38-V41 PolarHBondContact O-N 3.12Å; K38-V41 VanDerWaalsContact O-N 3.08Å; K38-L42 PolarHBondContact O-N 3.05Å; K38-L160 VanDerWaalsContact CE-O 3.32Å; K38-L160 WeakPolarHBondContact CE-O 3.35Å; K38-V197 HydrophobicContact CG-CB 4.06Å; K38-V197 HydrophobicContact CG-CG1 4.34Å; K38-V197 HydrophobicContact CG-CG2 4.28Å
39S86.7Confident87.4Confident26 Ų2624.8 Ų24.818%0.18215%0.148CC..Hα-helixtrans-60.4-38.9-178.1-40.80000111.6G37 V41 L42 E43G37-S39 PolarHBondContact O-N 2.89Å; S39-V41 PolarHBondContact O-N 3.06Å; S39-L42 WeakPolarHBondContact O-CB 3.26Å; S39-L42 PolarHBondContact O-N 2.68Å; S39-E43 WeakPolarHBondContact O-CB 3.37Å; S39-E43 VanDerWaalsContact O-CG 3.29Å; S39-E43 WeakPolarHBondContact O-CG 3.46Å; S39-E43 PolarHBondContact O-N 2.68Å
40S88.4Confident87.2Confident30 Ų3024.8 Ų24.821%0.2115%0.148CC..Hα-helixtrans-66-35.2175.9-45.30000113.2G37 K38 S44 N259G37-S40 WeakPolarHBondContact O-CB 3.35Å; G37-S40 PolarHBondContact O-N 2.54Å; G37-S40 VanDerWaalsContact O-N 3.12Å; K38-S40 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 2.83Å; S40-S44 WeakPolarHBondContact O-CB 3.47Å; S40-S44 PolarHBondContact O-N 3.21Å; S40-S44 PolarHBondContact O-OG 3.26Å; S40-N259 VanDerWaalsContact C-ND2 3.26Å; S40-N259 PolarHBondContact O-ND2 3.41Å; S40-N259 PolarHBondContact O-OD1 3.25Å
41V89.8Confident86.8Confident1 Ų124.8 Ų24.81%0.00615%0.148CC..Hα-helixtrans-67.8-40.5172.6172.40000110.5G37 K38 S39 S44 L45 V197 V226 T228 V257 N259 L298G37-V41 WeakPolarHBondContact O-CG2 3.34Å; G37-V41 PolarHBondContact O-N 2.91Å; K38-V41 WeakPolarHBondContact O-CB 3.47Å; K38-V41 PolarHBondContact O-N 3.12Å; K38-V41 VanDerWaalsContact O-N 3.08Å; S39-V41 PolarHBondContact O-N 3.06Å; V41-S44 PolarHBondContact O-N 3.25Å; V41-S44 PolarHBondContact O-OG 2.97Å; V41-S44 VanDerWaalsContact O-OG 3.11Å; V41-L45 HydrophobicContact CG1-CD1 4.39Å; V41-L45 VanDerWaalsContact O-CG 3.27Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 3.35Å; V41-V197 HydrophobicContact CG2-CG1 4.44Å; V41-V226 HydrophobicContact CG2-CG1 4.3Å; V41-T228 HydrophobicContact CG2-CG2 3.66Å; V41-V257 HydrophobicContact CG2-CG1 4.48Å; V41-N259 PolarHBondContact N-ND2 3.22Å; V41-L298 HydrophobicContact CG1-CD2 3.72Å
42L88.6Confident86.2Confident1 Ų125.4 Ų25.41%0.00515%0.152CC..Hα-helixtrans-64.6-48.4175.7-70.4169.4000111.6V30 K38 S39 S44 L45 V46 L51 L157 D159V30-L42 HydrophobicContact CG2-CD2 4.06Å; K38-L42 PolarHBondContact O-N 3.05Å; S39-L42 WeakPolarHBondContact O-CB 3.26Å; S39-L42 PolarHBondContact O-N 2.68Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.12Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 3.02Å; L42-L45 VanDerWaalsContact O-N 3.11Å; L42-V46 WeakPolarHBondContact O-CG2 3.21Å; L42-V46 PolarHBondContact O-N 3.22Å; L42-L51 HydrophobicContact CB-CD1 3.65Å; L42-L51 HydrophobicContact CD1-CD1 3.85Å; L42-L51 HydrophobicContact CG-CD1 4.41Å; L42-L157 HydrophobicContact CD2-CB 3.98Å; L42-L157 HydrophobicContact CD2-CD2 3.72Å; L42-L157 HydrophobicContact CD2-CG 4.31Å; L42-D159 HydrophobicContact CD1-CB 3.49Å; L42-D159 VanDerWaalsContact CD1-CB 3.49Å; L42-D159 VanDerWaalsContact CD1-CG 3.46Å; L42-D159 WeakPolarHBondContact CD1-OD1 3.32Å
43E87.8Confident85.3Confident0 Ų029.2 Ų29.20%017%0.166CC..Hα-helixtrans-63.7-31.9177.2-68.5168.8123.900112.6S39 V46 G47 R48 L50 L51 R53S39-E43 WeakPolarHBondContact O-CB 3.37Å; S39-E43 VanDerWaalsContact O-CG 3.29Å; S39-E43 WeakPolarHBondContact O-CG 3.46Å; S39-E43 PolarHBondContact O-N 2.68Å; E43-V46 PolarHBondContact O-N 3.26Å; E43-G47 PolarHBondContact O-N 2.58Å; E43-R48 WeakPolarHBondContact CB-O 3.31Å; E43-R48 PolarHBondContact O-N 3.18Å; E43-L50 PolarHBondContact OE1-N 3.28Å; E43-L51 HydrophobicContact CG-CB 4.18Å; E43-L51 HydrophobicContact CG-CD1 4.11Å; E43-L51 HydrophobicContact CG-CG 4.04Å; E43-L51 PolarHBondContact OE1-N 3.49Å; E43-R53 IonicContact OE1-CZ 2.67Å; E43-R53 IonicContact OE1-NE 2.75Å; E43-R53 PolarHBondContact OE1-NE 3.23Å; E43-R53 IonicContact OE1-NH2 2.67Å; E43-R53 PolarHBondContact OE1-NH2 3.12Å; E43-R53 IonicContact OE2-CZ 3.62Å; E43-R53 VanDerWaalsContact OE2-CZ 3.3Å; E43-R53 IonicContact OE2-NE 3.64Å; E43-R53 PolarHBondContact OE2-NE 3.44Å; E43-R53 VanDerWaalsContact OE2-NE 3.14Å; E43-R53 IonicContact OE2-NH2 3.1Å; E43-R53 PolarHBondContact OE2-NH2 3.14Å
44S86.2Confident84.1Confident7 Ų729.6 Ų29.65%0.04918%0.179CC..Hα-helixtrans-73.4-28.7174.179.40000113S40 V41 L42 N259 T295S40-S44 WeakPolarHBondContact O-CB 3.47Å; S40-S44 PolarHBondContact O-N 3.21Å; S40-S44 PolarHBondContact O-OG 3.26Å; V41-S44 PolarHBondContact O-N 3.25Å; V41-S44 PolarHBondContact O-OG 2.97Å; V41-S44 VanDerWaalsContact O-OG 3.11Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.12Å; S44-N259 WeakPolarHBondContact CB-OD1 3.28Å; S44-T295 VanDerWaalsContact O-CG2 3.27Å; S44-T295 WeakPolarHBondContact O-CG2 3.38Å; S44-T295 VanDerWaalsContact OG-CG2 3.25Å; S44-T295 WeakPolarHBondContact OG-CG2 3.45Å; S44-T295 PolarHBondContact OG-OG1 3.25Å
45L85.1Confident82.9Confident16 Ų1633.8 Ų33.88%0.08421%0.21CC..Hα-helixtrans-71.5-32.4169.5-68.8171.6000112.9V41 L42 L157 L298 A299 L302V41-L45 HydrophobicContact CG1-CD1 4.39Å; V41-L45 VanDerWaalsContact O-CG 3.27Å; V41-L45 WeakPolarHBondContact O-CG 3.49Å; V41-L45 PolarHBondContact O-N 3.35Å; L42-L45 WeakPolarHBondContact O-CB 3.24Å; L42-L45 PolarHBondContact O-N 3.02Å; L42-L45 VanDerWaalsContact O-N 3.11Å; L45-L157 HydrophobicContact CD1-CD2 3.81Å; L45-L298 HydrophobicContact CD2-CG 4.39Å; L45-A299 HydrophobicContact CD2-CB 3.57Å; L45-L302 HydrophobicContact CD1-CD1 3.79Å; L45-L302 HydrophobicContact CD2-CD1 4.33Å
46V83.8Confident82.1Confident9 Ų930.6 Ų30.66%0.05519%0.192CC..Hα-helixtrans-83.2-29.2177-174.20000112.5L42 E43 R48 L50 L65 L67 I147 V152L42-V46 WeakPolarHBondContact O-CG2 3.21Å; L42-V46 PolarHBondContact O-N 3.22Å; E43-V46 PolarHBondContact O-N 3.26Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-L50 HydrophobicContact CB-CD2 4.01Å; V46-L50 HydrophobicContact CG1-CD2 3.52Å; V46-L50 HydrophobicContact CG2-CD2 3.96Å; V46-L65 HydrophobicContact CG2-CD2 3.86Å; V46-L67 HydrophobicContact CB-CD2 4.19Å; V46-L67 HydrophobicContact CG1-CD2 3.86Å; V46-L67 HydrophobicContact CG2-CD1 4.02Å; V46-L67 HydrophobicContact CG2-CD2 3.64Å; V46-L67 HydrophobicContact CG2-CG 4.3Å; V46-I147 HydrophobicContact CG1-CG2 4.13Å; V46-V152 HydrophobicContact CG1-CG1 4.32Å; V46-V152 VanDerWaalsContact O-CG1 3.28Å; V46-V152 WeakPolarHBondContact O-CG1 3.39Å
47G82.1Confident81.1Confident36 Ų3631.4 Ų31.437%0.37120%0.196SC..THydrogen-bonded Turntrans860-173.400000114.7E43 V271E43-G47 PolarHBondContact O-N 2.58Å; G47-V271 WeakPolarHBondContact O-CB 3.49Å; G47-V271 WeakPolarHBondContact O-CG2 3.01Å
48R83.1Confident80.5Confident110 Ų11032.6 Ų32.642%0.41520%0.2SC..SBendtrans-139.9153.8-177.4-69-166-176-92-1.6113.5E43 V46 L50 E102 F117E43-R48 WeakPolarHBondContact CB-O 3.31Å; E43-R48 PolarHBondContact O-N 3.18Å; V46-R48 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 3.09Å; R48-E102 IonicContact CZ-OE2 2.71Å; R48-E102 IonicContact NE-OE2 3.86Å; R48-E102 PolarHBondContact NE-OE2 3.38Å; R48-E102 IonicContact NH2-OE2 3.61Å; R48-E102 PolarHBondContact NH2-OE2 2.58Å; R48-F117 HydrophobicContact CB-CD1 4.08Å; R48-F117 HydrophobicContact CB-CE1 4.4Å; R48-F117 HydrophobicContact CB-CG 4.4Å; R48-F117 VanDerWaalsContact CD-CD2 3.44Å; R48-F117 VanDerWaalsContact CD-CE2 3.45Å
49D83.3Confident80Confident44 Ų4433 Ų3324%0.23520%0.203CC..  trans-80104173-67.6-47000109.9R53 R121 R260D49-R53 IonicContact OD1-CZ 3.55Å; D49-R53 IonicContact OD1-NH1 3.87Å; D49-R53 PolarHBondContact OD1-NH1 3.38Å; D49-R53 VanDerWaalsContact OD1-NH1 3.13Å; D49-R53 IonicContact OD1-NH2 3.15Å; D49-R53 PolarHBondContact OD1-NH2 2.86Å; D49-R121 PolarHBondContact O-NH2 3.39Å; D49-R260 IonicContact OD1-CZ 2.68Å; D49-R260 IonicContact OD1-NH1 2.71Å; D49-R260 PolarHBondContact OD1-NH1 3.23Å; D49-R260 IonicContact OD1-NH2 3.47Å; D49-R260 PolarHBondContact OD1-NH2 3.46Å; D49-R260 IonicContact OD2-CZ 3.5Å; D49-R260 IonicContact OD2-NH1 3.09Å; D49-R260 PolarHBondContact OD2-NH1 2.82Å; D49-R260 IonicContact OD2-NH2 3.46Å
50L86.5Confident79.7Confident0 Ų033.2 Ų33.20%020%0.2CC..  trans-135.6-13.7-178.272.294.7000113.6E43 V46 R48 L65 F117 I120 R121 I124 L145 I147E43-L50 PolarHBondContact OE1-N 3.28Å; V46-L50 HydrophobicContact CB-CD2 4.01Å; V46-L50 HydrophobicContact CG1-CD2 3.52Å; V46-L50 HydrophobicContact CG2-CD2 3.96Å; R48-L50 PolarHBondContact O-N 3.09Å; L50-L65 HydrophobicContact CD1-CD1 4.37Å; L50-F117 HydrophobicContact CB-CD1 4.09Å; L50-F117 HydrophobicContact CD2-CD1 4.24Å; L50-F117 HydrophobicContact CD2-CE1 4.44Å; L50-I120 HydrophobicContact CB-CG2 4.41Å; L50-R121 WeakPolarHBondContact O-CA 3.39Å; L50-I124 HydrophobicContact CD1-CD1 4.39Å; L50-I124 WeakPolarHBondContact O-CD1 2.98Å; L50-L145 HydrophobicContact CD1-CD2 4Å; L50-I147 HydrophobicContact CD2-CG1 4.39Å
51L86.9Confident79.6Confident2 Ų232.2 Ų32.21%0.0119%0.192CC..SBendtrans-86.2146177.7-63.2179.8000109.6L42 E43 L63 R121L42-L51 HydrophobicContact CB-CD1 3.65Å; L42-L51 HydrophobicContact CD1-CD1 3.85Å; L42-L51 HydrophobicContact CG-CD1 4.41Å; E43-L51 HydrophobicContact CG-CB 4.18Å; E43-L51 HydrophobicContact CG-CD1 4.11Å; E43-L51 HydrophobicContact CG-CG 4.04Å; E43-L51 PolarHBondContact OE1-N 3.49Å; L51-L63 HydrophobicContact CD2-CD2 3.26Å; L51-R121 VanDerWaalsContact O-CD 3.24Å; L51-R121 WeakPolarHBondContact O-CD 3.42Å; L51-R121 PolarHBondContact O-NE 3.08Å
52P80.5Confident79.6Confident14 Ų1432.1 Ų32.19%0.09119%0.191CC..  trans-54.3151.9170.8-26.236.8000110.8V58 R121 I124 E125P52-V58 HydrophobicContact CB-CG1 3.68Å; P52-V58 WeakPolarHBondContact O-CG1 3.37Å; P52-R121 HydrophobicContact CG-CG 4.48Å; P52-I124 HydrophobicContact CG-CB 4.09Å; P52-I124 HydrophobicContact CG-CG2 3.64Å; P52-E125 WeakPolarHBondContact CA-OE1 3.27Å; P52-E125 HydrophobicContact CB-CG 3.76Å; P52-E125 WeakPolarHBondContact CB-OE1 3.27Å; P52-E125 HydrophobicContact CG-CG 3.68Å
53R72.5Confident79.7Confident81 Ų8132.3 Ų32.331%0.30619%0.192SC..  trans-143.1128.4179.4-70.5-179.3173.9172.2-5110.8E43 D49E43-R53 IonicContact OE1-CZ 2.67Å; E43-R53 IonicContact OE1-NE 2.75Å; E43-R53 PolarHBondContact OE1-NE 3.23Å; E43-R53 IonicContact OE1-NH2 2.67Å; E43-R53 PolarHBondContact OE1-NH2 3.12Å; E43-R53 IonicContact OE2-CZ 3.62Å; E43-R53 VanDerWaalsContact OE2-CZ 3.3Å; E43-R53 IonicContact OE2-NE 3.64Å; E43-R53 PolarHBondContact OE2-NE 3.44Å; E43-R53 VanDerWaalsContact OE2-NE 3.14Å; E43-R53 IonicContact OE2-NH2 3.1Å; E43-R53 PolarHBondContact OE2-NH2 3.14Å; D49-R53 IonicContact OD1-CZ 3.55Å; D49-R53 IonicContact OD1-NH1 3.87Å; D49-R53 PolarHBondContact OD1-NH1 3.38Å; D49-R53 VanDerWaalsContact OD1-NH1 3.13Å; D49-R53 IonicContact OD1-NH2 3.15Å; D49-R53 PolarHBondContact OD1-NH2 2.86Å
54G65.3Low79.7Confident56 Ų5633.2 Ų33.258%0.57720%0.197SC*.  trans-173.7175.2179.400000113.7G56 V58G54-G56 PolarHBondContact O-N 3.27Å; G54-V58 WeakPolarHBondContact O-CG2 3.31Å
55T60.4Low79.8Confident157 Ų15733 Ų3396%0.96320%0.195SC*.SBendtrans-84.3105.7174.844.20000110.5
56G65.4Low79.8Confident24 Ų2432.9 Ų32.925%0.24719%0.194CC..SBendtrans139.9-161.4-179.300000112.6Q34 G54 V58Q34-G56 VanDerWaalsContact NE2-CA 3.3Å; Q34-G56 PolarHBondContact NE2-O 3.45Å; G54-G56 PolarHBondContact O-N 3.27Å; G56-V58 PolarHBondContact O-N 3.13Å
57I67.3Low79.9Confident18 Ų1832.6 Ų32.69%0.09219%0.192CC..  trans-77.3105.8168.2-56.3-170.1000107.3T59 R60 T164 I175 I179I57-T59 WeakPolarHBondContact CG2-O 3.41Å; I57-R60 HydrophobicContact CG2-CG 4.14Å; I57-T164 HydrophobicContact CD1-CG2 3.76Å; I57-T164 HydrophobicContact CG1-CG2 3.8Å; I57-I175 HydrophobicContact CD1-CG1 4.37Å; I57-I179 HydrophobicContact CD1-CD1 3.64Å
58V71.9Confident79.9Confident41 Ų4132 Ų3225%0.24818%0.182CC..  trans-83.5-62-175-179.30000110.1P52 G54 G56 R60P52-V58 HydrophobicContact CB-CG1 3.68Å; P52-V58 WeakPolarHBondContact O-CG1 3.37Å; G54-V58 WeakPolarHBondContact O-CG2 3.31Å; G56-V58 PolarHBondContact O-N 3.13Å; V58-R60 PolarHBondContact O-N 2.92Å; V58-R60 VanDerWaalsContact O-N 3.1Å
59T77.5Confident79.8Confident20 Ų2030.6 Ų30.612%0.12318%0.179CC..  trans-70.4100.8169.1-45.80000109.1I57 R61 D159 P161I57-T59 WeakPolarHBondContact CG2-O 3.41Å; T59-R61 WeakPolarHBondContact CG2-O 3.38Å; T59-D159 WeakPolarHBondContact CG2-OD2 3.37Å; T59-D159 PolarHBondContact OG1-OD2 3.43Å; T59-P161 VanDerWaalsContact O-CA 3.26Å; T59-P161 WeakPolarHBondContact O-CA 3.41Å; T59-P161 VanDerWaalsContact O-CB 3.27Å; T59-P161 WeakPolarHBondContact O-CB 3.47Å; T59-P161 WeakPolarHBondContact O-CG 3.48Å
60R81.3Confident79.7Confident30 Ų3029 Ų2911%0.11317%0.172CC..  trans-99.8-7.6176.6-70.4178.6-82162.6-12.3113.8I57 V58 T128 E129 S132 G133 V138 S139I57-R60 HydrophobicContact CG2-CG 4.14Å; V58-R60 PolarHBondContact O-N 2.92Å; V58-R60 VanDerWaalsContact O-N 3.1Å; R60-T128 HydrophobicContact CB-CG2 3.72Å; R60-E129 IonicContact NH2-OE1 2.79Å; R60-E129 PolarHBondContact NH2-OE1 2.96Å; R60-S132 PolarHBondContact NH1-OG 2.8Å; R60-G133 PolarHBondContact NH1-O 2.86Å; R60-G133 VanDerWaalsContact NH1-O 3.14Å; R60-V138 VanDerWaalsContact O-CA 3.27Å; R60-V138 WeakPolarHBondContact O-CA 3.49Å; R60-S139 PolarHBondContact O-N 2.58Å; R60-S139 VanDerWaalsContact O-N 3.14Å
61R86.7Confident78.9Confident9 Ų930.8 Ų30.83%0.03418%0.184CC..SBendtrans-141135.6-176.5-170.2171.6168-172.3-1.4107.4T59 L63 E127 T128 I131 E141 P142 I143T59-R61 WeakPolarHBondContact CG2-O 3.38Å; R61-L63 PolarHBondContact O-N 3.08Å; R61-E127 IonicContact CZ-OE1 2.64Å; R61-E127 PolarHBondContact NH1-O 3.11Å; R61-E127 VanDerWaalsContact NH1-O 3.14Å; R61-E127 IonicContact NH1-OE1 2.69Å; R61-E127 PolarHBondContact NH1-OE1 3.34Å; R61-T128 HydrophobicContact CB-CG2 4.37Å; R61-I131 VanDerWaalsContact NH1-CG1 3.33Å; R61-E141 WeakPolarHBondContact CD-O 3.27Å; R61-E141 WeakPolarHBondContact CG-O 2.72Å; R61-E141 IonicContact CZ-OE1 2.75Å; R61-E141 PolarHBondContact NE-O 3.35Å; R61-E141 IonicContact NH2-OE1 3.65Å; R61-E141 PolarHBondContact NH2-OE1 3.07Å; R61-E141 IonicContact NH2-OE2 3.15Å; R61-P142 PolarHBondContact NH2-O 3.08Å; R61-P142 VanDerWaalsContact NH2-O 3.16Å; R61-I143 HydrophobicContact CB-CD1 4.47Å; R61-I143 HydrophobicContact CG-CD1 4.38Å; R61-I143 HydrophobicContact CG-CG1 4.04Å
62P89Confident77.6Confident0 Ų036.9 Ų36.90%021%0.212CC..  trans-55132.3178-25.232.5000111S139 P142 I143 D159 L160 L182 F186P62-S139 WeakPolarHBondContact CD-O 3.4Å; P62-P142 HydrophobicContact CB-CB 4.23Å; P62-P142 CarbonylContact O-C 3.52Å; P62-P142 VanDerWaalsContact O-CA 3.29Å; P62-P142 WeakPolarHBondContact O-CA 3.43Å; P62-I143 PolarHBondContact O-N 3.28Å; P62-D159 WeakPolarHBondContact CA-O 3.28Å; P62-L160 HydrophobicContact CB-CD2 3.93Å; P62-L160 HydrophobicContact CG-CD2 4.24Å; P62-L182 HydrophobicContact CG-CD1 4.12Å; P62-L182 HydrophobicContact CG-CD2 4.17Å; P62-L182 HydrophobicContact CG-CG 4.4Å; P62-F186 HydrophobicContact CB-CE2 4.06Å; P62-F186 HydrophobicContact CB-CZ 3.91Å; P62-F186 HydrophobicContact CG-CE2 3.74Å; P62-F186 HydrophobicContact CG-CZ 3.94Å
63L90.1Very high76.1Confident5 Ų543.1 Ų43.13%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-111.8111.6176.2179.569.1000109.5L51 R61 L65 I124 I143 L145 V158 D159L51-L63 HydrophobicContact CD2-CD2 3.26Å; R61-L63 PolarHBondContact O-N 3.08Å; L63-L65 PolarHBondContact O-N 3.46Å; L63-I124 HydrophobicContact CD2-CD1 4.14Å; L63-I143 HydrophobicContact CD1-CB 3.81Å; L63-I143 HydrophobicContact CD1-CG2 3.74Å; L63-L145 HydrophobicContact CD1-CB 4.11Å; L63-V158 CarbonylContact O-C 3.54Å; L63-V158 WeakPolarHBondContact O-CA 3.39Å; L63-D159 HydrophobicContact CB-CB 4.28Å; L63-D159 PolarHBondContact N-O 3.38Å; L63-D159 PolarHBondContact O-N 3Å
64I88.7Confident75.1Confident19 Ų1942.6 Ų42.610%0.09724%0.244CC..EExtended strand (participates in β ladder)trans-85.297.4171-60.1175.5000106.8P142 I143 L145 T156 V158I64-P142 HydrophobicContact CD1-CB 3.63Å; I64-P142 HydrophobicContact CD1-CG 3.97Å; I64-P142 HydrophobicContact CG1-CB 3.98Å; I64-I143 PolarHBondContact N-O 3.1Å; I64-L145 PolarHBondContact O-N 2.82Å; I64-T156 HydrophobicContact CG2-CG2 4.26Å; I64-V158 HydrophobicContact CG1-CG1 4.27Å; I64-V158 HydrophobicContact CG1-CG2 4.26Å
65L88.4Confident74.3Confident3 Ų342.7 Ų42.72%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-95.5117.4178.8177.464.1000109.6V46 L50 L63 L145 I147 L157V46-L65 HydrophobicContact CG2-CD2 3.86Å; L50-L65 HydrophobicContact CD1-CD1 4.37Å; L63-L65 PolarHBondContact O-N 3.46Å; L65-L145 HydrophobicContact CD1-CD2 4.06Å; L65-L145 HydrophobicContact CD1-CG 4.12Å; L65-I147 HydrophobicContact CD1-CG1 3.74Å; L65-L157 PolarHBondContact N-O 3.4Å; L65-L157 PolarHBondContact O-N 2.66Å
66Q86.1Confident73.3Confident13 Ų1344.5 Ų44.56%0.06122%0.217CC..EExtended strand (participates in β ladder)trans-115107.8-178.2-177.1-171.1-29.900109.8N9 V68 L145 K146 I147 T156N9-Q66 VanDerWaalsContact CB-NE2 3.3Å; N9-Q66 PolarHBondContact ND2-NE2 3.39Å; N9-Q66 PolarHBondContact OD1-NE2 2.62Å; Q66-V68 HydrophobicContact CG-CG2 4.34Å; Q66-L145 PolarHBondContact N-O 3.46Å; Q66-K146 HydrophobicContact CB-CG 4.13Å; Q66-K146 HydrophobicContact CG-CG 4.37Å; Q66-K146 CarbonylContact O-C 3.57Å; Q66-K146 WeakPolarHBondContact O-CA 3.38Å; Q66-I147 PolarHBondContact O-N 3.48Å; Q66-T156 HydrophobicContact CB-CG2 4.46Å
67L84.3Confident72.2Confident2 Ų250.2 Ų50.21%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-83.9130.9174.1-65.7169.6000110V46 I147 V152 V153 N154 L155 L157V46-L67 HydrophobicContact CB-CD2 4.19Å; V46-L67 HydrophobicContact CG1-CD2 3.86Å; V46-L67 HydrophobicContact CG2-CD1 4.02Å; V46-L67 HydrophobicContact CG2-CD2 3.64Å; V46-L67 HydrophobicContact CG2-CG 4.3Å; L67-I147 HydrophobicContact CD2-CB 3.83Å; L67-I147 HydrophobicContact CD2-CG2 3.95Å; L67-V152 HydrophobicContact CB-CB 4.3Å; L67-V152 HydrophobicContact CB-CG2 4.09Å; L67-V152 HydrophobicContact CD1-CB 4.44Å; L67-V152 HydrophobicContact CD2-CB 4.15Å; L67-V152 HydrophobicContact CD2-CG1 3.95Å; L67-V152 HydrophobicContact CD2-CG2 4.23Å; L67-V153 WeakPolarHBondContact CB-O 3.27Å; L67-N154 WeakPolarHBondContact O-CA 3.1Å; L67-L155 HydrophobicContact CB-CB 4.35Å; L67-L155 WeakPolarHBondContact CB-O 3.33Å; L67-L155 HydrophobicContact CD1-CB 4.37Å; L67-L155 PolarHBondContact N-O 2.66Å; L67-L155 PolarHBondContact O-N 3.26Å; L67-L157 HydrophobicContact CD1-CD1 4.08Å
68V82.8Confident71Confident25 Ų2554.8 Ų54.815%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-125.3115.4178.3-175.70000108.6Q66 V70 I147 F148 S149 N154Q66-V68 HydrophobicContact CG-CG2 4.34Å; V68-V70 PolarHBondContact O-N 2.67Å; V68-I147 PolarHBondContact N-O 3.1Å; V68-F148 HydrophobicContact CB-CD1 3.81Å; V68-F148 HydrophobicContact CB-CE1 4.03Å; V68-F148 HydrophobicContact CB-CG 4.5Å; V68-F148 HydrophobicContact CG1-CD1 3.88Å; V68-F148 HydrophobicContact CG1-CE1 3.99Å; V68-F148 HydrophobicContact CG2-CD1 4.39Å; V68-F148 HydrophobicContact CG2-CE1 4.15Å; V68-F148 WeakPolarHBondContact O-CA 3.46Å; V68-S149 PolarHBondContact O-N 3.27Å; V68-S149 VanDerWaalsContact O-N 3.08Å; V68-N154 WeakPolarHBondContact CA-OD1 3.44Å
69H80.8Confident69.3Low79 Ų7958.5 Ų58.537%0.36629%0.287SS..EExtended strand (participates in β ladder)trans-69.4124.5171.4176.3-92.6000109.7S149 P150 V152 N154H69-S149 CarbonylContact C-O 3.49Å; H69-S149 VanDerWaalsContact CA-O 3.27Å; H69-S149 WeakPolarHBondContact CA-O 3.44Å; H69-P150 PolarHBondContact CD2-O 3.37Å; H69-P150 PolarHBondContact NE2-O 3.13Å; H69-V152 WeakPolarHBondContact CB-O 3.32Å; H69-V152 PolarHBondContact CD2-O 3.37Å; H69-V152 VanDerWaalsContact CD2-O 3.28Å; H69-N154 PolarHBondContact N-OD1 2.84Å
70V80.9Confident67.1Low12 Ų1259.7 Ų59.77%0.07330%0.304CS..  trans-113.2120176.8178.30000109.8V68 D74 K75 W103 F148 S149 P150V68-V70 PolarHBondContact O-N 2.67Å; V70-D74 HydrophobicContact CG1-CB 4.38Å; V70-K75 HydrophobicContact CG1-CG 4.38Å; V70-W103 HydrophobicContact CG1-CH2 4.1Å; V70-W103 HydrophobicContact CG2-CH2 4.06Å; V70-F148 HydrophobicContact CG2-CB 3.84Å; V70-F148 HydrophobicContact CG2-CD1 3.88Å; V70-F148 HydrophobicContact CG2-CG 4.37Å; V70-S149 PolarHBondContact N-O 2.76Å; V70-P150 WeakPolarHBondContact O-CA 3.39Å; V70-P150 WeakPolarHBondContact O-CB 3.29Å
71S70.6Confident64.9Low36 Ų3666.8 Ų66.825%0.25234%0.338SS..  trans-77.4161.7176.6800000112.2E73 D74S71-E73 PolarHBondContact O-N 3.46Å; S71-E73 PolarHBondContact OG-N 3.38Å; S71-D74 WeakPolarHBondContact CB-OD2 3.22Å; S71-D74 PolarHBondContact N-OD2 3.28Å; S71-D74 PolarHBondContact O-N 3.46Å; S71-D74 VanDerWaalsContact OG-CG 3.25Å; S71-D74 PolarHBondContact OG-N 2.85Å; S71-D74 VanDerWaalsContact OG-N 3.12Å; S71-D74 PolarHBondContact OG-OD2 3.4Å
72Q58.9Low62.4Low130 Ų13075.5 Ų75.561%0.60738%0.379SS*.THydrogen-bonded Turntrans-63.3-19.4171.3-73.6-80.7-7.600112.8
73E49Very low59.7Low145 Ų14583.1 Ų83.168%0.67842%0.42SS*.THydrogen-bonded Turntrans-86.5-34.7177.9-60.3-147.3145.300112.9S71 K75 R76S71-E73 PolarHBondContact O-N 3.46Å; S71-E73 PolarHBondContact OG-N 3.38Å; E73-K75 PolarHBondContact O-N 2.91Å; E73-R76 WeakPolarHBondContact O-CB 3.2Å; E73-R76 PolarHBondContact O-N 3.17Å
74D52.7Low57Low71 Ų7189 Ų8938%0.3845%0.451SS..Hα-helixtrans-63.3-29.5178.3-64.4-55.7000112.2V70 S71 R76 K77 T78V70-D74 HydrophobicContact CG1-CB 4.38Å; S71-D74 WeakPolarHBondContact CB-OD2 3.22Å; S71-D74 PolarHBondContact N-OD2 3.28Å; S71-D74 PolarHBondContact O-N 3.46Å; S71-D74 VanDerWaalsContact OG-CG 3.25Å; S71-D74 PolarHBondContact OG-N 2.85Å; S71-D74 VanDerWaalsContact OG-N 3.12Å; S71-D74 PolarHBondContact OG-OD2 3.4Å; D74-R76 PolarHBondContact O-N 2.87Å; D74-R76 VanDerWaalsContact O-N 3.12Å; D74-K77 PolarHBondContact O-N 3.39Å; D74-T78 PolarHBondContact O-N 3.12Å; D74-T78 PolarHBondContact O-OG1 3.01Å
75K47.8Very low54.2Low58 Ų5894.1 Ų94.125%0.25249%0.486SS..Hα-helixtrans-54-28.2171.8-70.3-177.7178177.40113.4V70 E73 T78 T79V70-K75 HydrophobicContact CG1-CG 4.38Å; E73-K75 PolarHBondContact O-N 2.91Å; K75-T78 PolarHBondContact O-OG1 3.49Å; K75-T79 PolarHBondContact O-OG1 2.82Å
76R40Very low51.6Low194 Ų19498.1 Ų98.173%0.73252%0.519SS*.Hα-helixtrans-84.1-25.9178.5-67.6-180172.5168.5-2.1113.6E73 D74 T79E73-R76 WeakPolarHBondContact O-CB 3.2Å; E73-R76 PolarHBondContact O-N 3.17Å; D74-R76 PolarHBondContact O-N 2.87Å; D74-R76 VanDerWaalsContact O-N 3.12Å; R76-T79 PolarHBondContact O-OG1 3.48Å
77K41.6Very low49.1Very low144 Ų144102.9 Ų102.963%0.62655%0.549SS*.Hα-helixtrans-79.3-38.2178-72.1-177.4178.4174.20111.9D74 T79 G80D74-K77 PolarHBondContact O-N 3.39Å; K77-T79 PolarHBondContact O-N 3.35Å; K77-T79 VanDerWaalsContact O-N 3.12Å; K77-G80 PolarHBondContact O-N 3.28Å
78T41.3Very low46.6Very low114 Ų114114.8 Ų114.870%0.69959%0.594SS**THydrogen-bonded Turntrans-63.7-15.3175.944.10000114.3D74 K75D74-T78 PolarHBondContact O-N 3.12Å; D74-T78 PolarHBondContact O-OG1 3.01Å; K75-T78 PolarHBondContact O-OG1 3.49Å
79T36.3Very low44.1Very low120 Ų120122.4 Ų122.474%0.73663%0.625SS**THydrogen-bonded Turntrans-99.71.8171.9500000113.9K75 R76 K77K75-T79 PolarHBondContact O-OG1 2.82Å; R76-T79 PolarHBondContact O-OG1 3.48Å; K77-T79 PolarHBondContact O-N 3.35Å; K77-T79 VanDerWaalsContact O-N 3.12Å
80G31.7Very low41.7Very low45 Ų45126.1 Ų126.146%0.46465%0.648SS.*THydrogen-bonded Turntrans-117-5.8-164.900000116.9K77K77-G80 PolarHBondContact O-N 3.28Å
81E34.4Very low39.2Very low178 Ų178131.4 Ų131.483%0.83269%0.685SS**  trans-109.355.6-175.9-69.2-174.8170.100113.2
82E36Very low37.3Very low192 Ų192141 Ų14190%0.89772%0.716SS**  trans-119.178.2153.3-78.8-165.9168.700109.2
83N32Very low36.2Very low161 Ų161143 Ų14386%0.86173%0.725SS**  trans-12450.6171.2-102.2-29.8000110.4
84D32.6Very low35.4Very low128 Ų128144.3 Ų144.368%0.68474%0.736SS**  trans-109.7106.4170.5-157.8-5.5000108.9A86D84-A86 PolarHBondContact O-N 2.84Å
85P30.2Very low34.5Very low127 Ų127146.1 Ų146.183%0.82575%0.754SS**THydrogen-bonded Turntrans-7713.1-16028.3-34.5000115.8
86A33.3Very low33.7Very low87 Ų87152.9 Ų152.972%0.71978%0.783SS**THydrogen-bonded Turntrans-103.1-17.5-170.900000115.8D84 W88D84-A86 PolarHBondContact O-N 2.84Å; A86-W88 PolarHBondContact O-N 2.82Å
87T33.4Very low33.6Very low113 Ų113147.2 Ų147.269%0.69379%0.785SS**  trans-99.124.7-164.1-290000114.7K89T87-K89 VanDerWaalsContact C-N 3.33Å; T87-K89 PolarHBondContact O-N 3.38Å
88W31.7Very low33.4Very low251 Ų251145.5 Ų145.595%0.95179%0.787SS**  trans-80.571.1176.9-10149.4000113.1A86A86-W88 PolarHBondContact O-N 2.82Å
89K29.9Very low33.9Very low185 Ų185149.7 Ų149.780%0.80480%0.798SS**SBendtrans-171.7129.1153.2-97.9139.1-1691770110.3T87T87-K89 VanDerWaalsContact C-N 3.33Å; T87-K89 PolarHBondContact O-N 3.38Å
90N31.2Very low35.1Very low158 Ų158145.2 Ų145.285%0.84577%0.773SS**  trans78.668.1169.5-51.1-18.2000118.1
91S28.8Very low37.2Very low122 Ų122148 Ų14885%0.85377%0.774SS**  trans-147.1102.2138.8-95.20000109.4
92R29.9Very low39.7Very low239 Ų239140.3 Ų140.390%0.90274%0.738SS**  trans-114.318.6-178.4-149.7-172-81.3-174.3-4113.1
93H35.3Very low42.3Very low171 Ų171133.4 Ų133.479%0.79270%0.704SS**SBendtrans-148.2138.6174.2-79.3-73.7000111
94L33.7Very low45Very low172 Ų172125.7 Ų125.790%0.90166%0.663SS**  trans61.1124.2-172.3-89.656.4000113.4
95S32.7Very low47.8Very low109 Ų109122.6 Ų122.676%0.76264%0.643SS**  cis-133.9143.832.249.10000113.8G97S95-G97 PolarHBondContact O-N 3.08Å
96K32.1Very low50.5Low200 Ų200116.7 Ų116.787%0.8761%0.605SS**  trans-70.9121.9152.8-90.3179169.9179.60106.5V98K96-V98 PolarHBondContact O-N 3.48Å
97G36.6Very low52.9Low75 Ų75116.9 Ų116.977%0.77359%0.593SS**  trans-60.6120170.700000109.9S95S95-G97 PolarHBondContact O-N 3.08Å
98V38.9Very low55.3Low109 Ų109114.8 Ų114.866%0.66158%0.575SS**  trans-99.6111.2170.4-1790000106.6K96 A100 T115K96-V98 PolarHBondContact O-N 3.48Å; V98-A100 HydrophobicContact CG1-CB 4.3Å; V98-A100 PolarHBondContact O-N 3.48Å; V98-T115 HydrophobicContact CG1-CG2 4.3Å
99E50.6Low57.8Low202 Ų202104.4 Ų104.494%0.94454%0.54SS*.  trans-71.666.4171.2-66.5-174.3138.300110.1E101E99-E101 PolarHBondContact O-N 2.99Å
100A61.5Low60.2Low25 Ų25103.3 Ų103.321%0.20754%0.535CS..  trans-72.7120.7174.400000109.4V98 E102 T115V98-A100 HydrophobicContact CG1-CB 4.3Å; V98-A100 PolarHBondContact O-N 3.48Å; A100-E102 PolarHBondContact O-N 2.93Å; A100-T115 HydrophobicContact CB-CG2 3.63Å
101E77.1Confident62.6Low103 Ų103102.1 Ų102.148%0.48153%0.529SS..SBendtrans-66.8-31.7173.6-175.9169.1-155.900111.8E99 P150E99-E101 PolarHBondContact O-N 2.99Å; E101-P150 HydrophobicContact CG-CG 3.99Å
102E85.3Confident65.4Low17 Ų17100.2 Ų100.28%0.07951%0.505CS..SBendtrans-141.9141-178-54.3-174.3140.100109.4R48 A100 F117 F148 S149 N151R48-E102 IonicContact CZ-OE2 2.71Å; R48-E102 IonicContact NE-OE2 3.86Å; R48-E102 PolarHBondContact NE-OE2 3.38Å; R48-E102 IonicContact NH2-OE2 3.61Å; R48-E102 PolarHBondContact NH2-OE2 2.58Å; A100-E102 PolarHBondContact O-N 2.93Å; E102-F117 HydrophobicContact CB-CE2 4.16Å; E102-F117 HydrophobicContact CB-CZ 4.11Å; E102-F148 VanDerWaalsContact CA-O 3.23Å; E102-F148 WeakPolarHBondContact CA-O 3.35Å; E102-S149 VanDerWaalsContact OE1-CB 3.28Å; E102-S149 WeakPolarHBondContact OE1-CB 3.45Å; E102-S149 PolarHBondContact OE1-OG 3.45Å; E102-N151 PolarHBondContact OE1-ND2 3.44Å
103W90.7Very high68.2Low47 Ų4793.7 Ų93.718%0.17849%0.488CS..EExtended strand (participates in β ladder)trans-154.4161.8179.969.593.5000112.5V70 Y114 F148V70-W103 HydrophobicContact CG1-CH2 4.1Å; V70-W103 HydrophobicContact CG2-CH2 4.06Å; W103-Y114 CarbonylContact C-O 3.55Å; W103-Y114 VanDerWaalsContact CA-O 3.3Å; W103-Y114 WeakPolarHBondContact CA-O 3.47Å; W103-Y114 WeakPolarHBondContact CB-O 3.45Å; W103-F148 AromaticContact CD1-CD2 3.62Å; W103-F148 HydrophobicContact CD2-CB 3.69Å; W103-F148 HydrophobicContact CD2-CD2 4.4Å; W103-F148 HydrophobicContact CD2-CG 4.23Å; W103-F148 VanDerWaalsContact CE2-CB 3.44Å; W103-F148 AromaticContact CE2-CD2 3.73Å; W103-F148 AromaticContact CE2-CG 3.52Å; W103-F148 HydrophobicContact CE3-CB 4.04Å; W103-F148 HydrophobicContact CG-CB 4.23Å; W103-F148 HydrophobicContact CG-CD2 4.34Å; W103-F148 HydrophobicContact CH2-CB 3.98Å; W103-F148 HydrophobicContact CH2-CG 4.45Å; W103-F148 HydrophobicContact CZ2-CB 3.6Å; W103-F148 AromaticContact CZ2-CD1 3.87Å; W103-F148 HydrophobicContact CZ2-CD1 3.87Å; W103-F148 HydrophobicContact CZ2-CD2 4.26Å; W103-F148 AromaticContact CZ2-CG 3.65Å; W103-F148 HydrophobicContact CZ2-CG 3.65Å; W103-F148 HydrophobicContact CZ3-CB 4.17Å; W103-F148 PolarHBondContact N-O 3.02Å; W103-F148 AromaticContact NE1-CD2 3.19Å; W103-F148 AromaticContact NE1-CE2 3.75Å; W103-F148 AromaticContact NE1-CG 3.51Å; W103-F148 PolarHBondContact O-N 3.29Å
104G90.5Very high70.9Confident0 Ų085.6 Ų85.60%045%0.45CS..EExtended strand (participates in β ladder)trans-114159.7173.200000113.5Y114 K146G104-Y114 PolarHBondContact N-O 3.48Å; G104-Y114 PolarHBondContact O-N 2.91Å; G104-K146 CarbonylContact C-O 3.5Å; G104-K146 VanDerWaalsContact CA-O 3.27Å; G104-K146 WeakPolarHBondContact CA-O 3.29Å
105K89.9Confident73.6Confident63 Ų6381 Ų8127%0.27443%0.429SS..EExtended strand (participates in β ladder)trans-148.3123.9175-172.2176.3-175.6174.90110.1K110 N111 L113 K146 F148K105-K110 WeakPolarHBondContact CE-O 3.48Å; K105-K110 PolarHBondContact NZ-O 3.23Å; K105-N111 PolarHBondContact NZ-OD1 3.38Å; K105-L113 HydrophobicContact CD-CD2 4.2Å; K105-L113 HydrophobicContact CG-CD2 4.46Å; K105-K146 PolarHBondContact N-O 2.99Å; K105-K146 PolarHBondContact O-N 3.47Å; K105-F148 HydrophobicContact CB-CE2 4.14Å
106F88.5Confident76.2Confident3 Ų379.8 Ų79.81%0.01341%0.414CS..EExtended strand (participates in β ladder)trans-92.7155.6172.5-65.7-94.2000111.9H108 Y114 I120 E123 I124 I143 H144 L145F106-H108 VanDerWaalsContact CB-CE1 3.48Å; F106-H108 WeakPolarHBondContact CB-CE1 3.13Å; F106-H108 WeakPolarHBondContact CB-ND1 3.19Å; F106-H108 AromaticContact CD1-CE1 3.6Å; F106-H108 AromaticContact CG-CE1 3.58Å; F106-H108 AromaticContact CG-ND1 3.97Å; F106-Y114 HydrophobicContact CD2-CD2 4.02Å; F106-Y114 HydrophobicContact CD2-CE1 4.4Å; F106-Y114 AromaticContact CD2-CE2 3.67Å; F106-Y114 HydrophobicContact CD2-CE2 3.67Å; F106-Y114 AromaticContact CD2-CZ 3.87Å; F106-Y114 HydrophobicContact CE2-CD1 4.34Å; F106-Y114 HydrophobicContact CE2-CD2 4.33Å; F106-Y114 HydrophobicContact CE2-CE1 4.15Å; F106-Y114 HydrophobicContact CE2-CE2 4.18Å; F106-Y114 HydrophobicContact CE2-CG 4.43Å; F106-I120 HydrophobicContact CE2-CB 4.46Å; F106-I120 HydrophobicContact CE2-CG1 4.41Å; F106-I120 HydrophobicContact CE2-CG2 4.12Å; F106-I120 HydrophobicContact CZ-CG2 3.82Å; F106-E123 HydrophobicContact CD2-CG 3.85Å; F106-E123 HydrophobicContact CE1-CG 4.3Å; F106-E123 HydrophobicContact CE2-CB 3.75Å; F106-E123 HydrophobicContact CE2-CG 3.53Å; F106-E123 HydrophobicContact CG-CG 4.37Å; F106-E123 HydrophobicContact CZ-CB 3.83Å; F106-E123 HydrophobicContact CZ-CG 3.77Å; F106-I124 HydrophobicContact CE1-CG1 3.78Å; F106-I124 HydrophobicContact CZ-CG1 3.81Å; F106-I143 HydrophobicContact CD1-CG2 3.95Å; F106-I143 HydrophobicContact CE1-CG2 4.01Å; F106-H144 WeakPolarHBondContact CA-O 3.37Å; F106-L145 HydrophobicContact CD1-CB 4.06Å; F106-L145 HydrophobicContact CD1-CD1 4.04Å; F106-L145 HydrophobicContact CD2-CD1 4.11Å; F106-L145 HydrophobicContact CE1-CB 3.97Å; F106-L145 HydrophobicContact CE1-CD1 3.86Å; F106-L145 HydrophobicContact CE1-CD2 4.09Å; F106-L145 HydrophobicContact CE1-CG 4.19Å; F106-L145 HydrophobicContact CE2-CD1 3.92Å; F106-L145 HydrophobicContact CG-CD1 4.17Å; F106-L145 HydrophobicContact CZ-CD1 3.8Å; F106-L145 HydrophobicContact CZ-CD2 4.12Å; F106-L145 HydrophobicContact CZ-CG 4.42Å
107L83.3Confident78.9Confident91 Ų9171.1 Ų71.148%0.47638%0.376SS..SBendtrans-69.5-42.5174.9-173.863000112.1T109 K110 H144L107-T109 PolarHBondContact O-N 3.35Å; L107-K110 PolarHBondContact O-N 3.14Å; L107-H144 HydrophobicContact CB-CB 3.71Å; L107-H144 HydrophobicContact CD2-CB 4.07Å; L107-H144 PolarHBondContact N-O 2.9Å
108H82.6Confident81.4Confident68 Ų6871.2 Ų71.232%0.31536%0.359SS..THydrogen-bonded Turntrans-70.1-31-175.665.9-73.1000113.2F106 K110 E123 E127F106-H108 VanDerWaalsContact CB-CE1 3.48Å; F106-H108 WeakPolarHBondContact CB-CE1 3.13Å; F106-H108 WeakPolarHBondContact CB-ND1 3.19Å; F106-H108 AromaticContact CD1-CE1 3.6Å; F106-H108 AromaticContact CG-CE1 3.58Å; F106-H108 AromaticContact CG-ND1 3.97Å; H108-K110 VanDerWaalsContact C-N 3.29Å; H108-K110 PolarHBondContact O-N 2.95Å; H108-E123 IonicContact CD2-OE1 3.79Å; H108-E123 IonicContact CE1-OE1 3.93Å; H108-E123 IonicContact NE2-OE1 2.83Å; H108-E123 PolarHBondContact NE2-OE1 3.12Å; H108-E127 IonicContact CD2-OE2 2.84Å
109T84.4Confident83.9Confident34 Ų3469.2 Ų69.221%0.20934%0.343CS..THydrogen-bonded Turntrans-87.68.4177.266.30000114.2L107 N111 K112 Y114L107-T109 PolarHBondContact O-N 3.35Å; T109-N111 PolarHBondContact O-N 3.1Å; T109-K112 PolarHBondContact O-N 2.89Å; T109-Y114 HydrophobicContact CG2-CE2 4.49Å; T109-Y114 VanDerWaalsContact CG2-OH 3.31Å; T109-Y114 WeakPolarHBondContact CG2-OH 3.23Å
110K80.8Confident85.8Confident162 Ų16259.6 Ų59.670%0.70430%0.298SS*.THydrogen-bonded Turntrans49-89.4178.2-61.3-174.6-178.5-177.10114.3K105 L107 H108K105-K110 WeakPolarHBondContact CE-O 3.48Å; K105-K110 PolarHBondContact NZ-O 3.23Å; L107-K110 PolarHBondContact O-N 3.14Å; H108-K110 VanDerWaalsContact C-N 3.29Å; H108-K110 PolarHBondContact O-N 2.95Å
111N81.6Confident87.2Confident132 Ų13261 Ų6171%0.70630%0.297SS*.THydrogen-bonded Turntrans-108.41-170.7-73.4-21.5000115K105 T109 L113K105-N111 PolarHBondContact NZ-OD1 3.38Å; T109-N111 PolarHBondContact O-N 3.1Å; N111-L113 PolarHBondContact O-N 3.28Å
112K88Confident87.8Confident83 Ų8361.4 Ų61.436%0.36130%0.3SS..  trans-65.4125.7172.1-175.3178.1166.1-164.10110.1T109 Y114 E119T109-K112 PolarHBondContact O-N 2.89Å; K112-Y114 HydrophobicContact CB-CE2 4.04Å; K112-Y114 HydrophobicContact CD-CD2 4.47Å; K112-Y114 HydrophobicContact CD-CE1 4.35Å; K112-Y114 HydrophobicContact CD-CE2 3.68Å; K112-Y114 WeakPolarHBondContact CD-OH 3.29Å; K112-Y114 VanDerWaalsContact CE-CZ 3.45Å; K112-Y114 HydrophobicContact CG-CD2 4.15Å; K112-Y114 HydrophobicContact CG-CE2 3.68Å; K112-Y114 PolarHBondContact NZ-OH 3.31Å; K112-E119 WeakPolarHBondContact CE-OE1 3.4Å; K112-E119 IonicContact NZ-OE1 3.35Å; K112-E119 PolarHBondContact NZ-OE1 3.21Å
113L89.1Confident88.1Confident102 Ų10262.2 Ų62.253%0.53430%0.303SS..  trans-98.4131.8172.3-57.7-179.5000108.8K105 N111K105-L113 HydrophobicContact CD-CD2 4.2Å; K105-L113 HydrophobicContact CG-CD2 4.46Å; N111-L113 PolarHBondContact O-N 3.28Å
114Y90.9Very high88.1Confident1 Ų160.3 Ų60.30%0.00430%0.297CS..BIsolated β-bridgetrans-105.8108.9-178.5-69.6-110.4000108.8W103 G104 F106 T109 K112 E119 I120 E123W103-Y114 CarbonylContact C-O 3.55Å; W103-Y114 VanDerWaalsContact CA-O 3.3Å; W103-Y114 WeakPolarHBondContact CA-O 3.47Å; W103-Y114 WeakPolarHBondContact CB-O 3.45Å; G104-Y114 PolarHBondContact N-O 3.48Å; G104-Y114 PolarHBondContact O-N 2.91Å; F106-Y114 HydrophobicContact CD2-CD2 4.02Å; F106-Y114 HydrophobicContact CD2-CE1 4.4Å; F106-Y114 AromaticContact CD2-CE2 3.67Å; F106-Y114 HydrophobicContact CD2-CE2 3.67Å; F106-Y114 AromaticContact CD2-CZ 3.87Å; F106-Y114 HydrophobicContact CE2-CD1 4.34Å; F106-Y114 HydrophobicContact CE2-CD2 4.33Å; F106-Y114 HydrophobicContact CE2-CE1 4.15Å; F106-Y114 HydrophobicContact CE2-CE2 4.18Å; F106-Y114 HydrophobicContact CE2-CG 4.43Å; T109-Y114 HydrophobicContact CG2-CE2 4.49Å; T109-Y114 VanDerWaalsContact CG2-OH 3.31Å; T109-Y114 WeakPolarHBondContact CG2-OH 3.23Å; K112-Y114 HydrophobicContact CB-CE2 4.04Å; K112-Y114 HydrophobicContact CD-CD2 4.47Å; K112-Y114 HydrophobicContact CD-CE1 4.35Å; K112-Y114 HydrophobicContact CD-CE2 3.68Å; K112-Y114 WeakPolarHBondContact CD-OH 3.29Å; K112-Y114 VanDerWaalsContact CE-CZ 3.45Å; K112-Y114 HydrophobicContact CG-CD2 4.15Å; K112-Y114 HydrophobicContact CG-CE2 3.68Å; K112-Y114 PolarHBondContact NZ-OH 3.31Å; Y114-E119 HydrophobicContact CD1-CB 4.21Å; Y114-E119 HydrophobicContact CD1-CG 3.79Å; Y114-E119 HydrophobicContact CE1-CG 3.93Å; Y114-I120 VanDerWaalsContact CB-CG1 3.47Å; Y114-I120 HydrophobicContact CD1-CG1 4.01Å; Y114-I120 HydrophobicContact CG-CG1 3.96Å; Y114-E123 HydrophobicContact CE1-CB 3.96Å; Y114-E123 HydrophobicContact CE1-CG 4.07Å; Y114-E123 PolarHBondContact OH-OE2 3.32Å
115T89.9Confident88Confident75 Ų7563.5 Ų63.546%0.4631%0.312SS..  trans-89.9-19.4176.555.60000112.7V98 A100V98-T115 HydrophobicContact CG1-CG2 4.3Å; A100-T115 HydrophobicContact CB-CG2 3.63Å
116D89.1Confident88Confident83 Ų8365.1 Ų65.144%0.44432%0.323SS..  trans-98.8125.8176.5-167.7-19.7000110.4D118 E119 I120D116-D118 WeakPolarHBondContact OD1-CB 3.34Å; D116-D118 PolarHBondContact OD1-N 3.27Å; D116-E119 HydrophobicContact CB-CB 4.01Å; D116-E119 PolarHBondContact O-N 2.92Å; D116-I120 WeakPolarHBondContact O-CG1 3.5Å; D116-I120 PolarHBondContact O-N 2.84Å
117F87.6Confident88Confident18 Ų1865.7 Ų65.78%0.07933%0.326CS..Hα-helixtrans-80.1-20179.7-72.9-100.4000112.8R48 L50 E102 I120 R121 I147R48-F117 HydrophobicContact CB-CD1 4.08Å; R48-F117 HydrophobicContact CB-CE1 4.4Å; R48-F117 HydrophobicContact CB-CG 4.4Å; R48-F117 VanDerWaalsContact CD-CD2 3.44Å; R48-F117 VanDerWaalsContact CD-CE2 3.45Å; L50-F117 HydrophobicContact CB-CD1 4.09Å; L50-F117 HydrophobicContact CD2-CD1 4.24Å; L50-F117 HydrophobicContact CD2-CE1 4.44Å; E102-F117 HydrophobicContact CB-CE2 4.16Å; E102-F117 HydrophobicContact CB-CZ 4.11Å; F117-I120 HydrophobicContact CD1-CD1 3.96Å; F117-I120 HydrophobicContact CE1-CD1 4.22Å; F117-I120 HydrophobicContact CG-CD1 4.28Å; F117-R121 PolarHBondContact O-N 2.99Å; F117-R121 VanDerWaalsContact O-N 3.1Å; F117-I147 HydrophobicContact CE1-CD1 4.07Å; F117-I147 HydrophobicContact CE1-CG2 4.07Å; F117-I147 HydrophobicContact CZ-CG2 4.4Å
118D88.6Confident88.2Confident77 Ų7761.7 Ų61.741%0.41231%0.305SS..Hα-helixtrans-71.8-33.7168.1-74.1-49.4000110.6D116 R121 Q122D116-D118 WeakPolarHBondContact OD1-CB 3.34Å; D116-D118 PolarHBondContact OD1-N 3.27Å; D118-R121 PolarHBondContact O-N 3.14Å; D118-R121 IonicContact OD1-CZ 2.95Å; D118-R121 IonicContact OD1-NH1 2.69Å; D118-R121 PolarHBondContact OD1-NH1 3.35Å; D118-R121 IonicContact OD1-NH2 2.66Å; D118-R121 PolarHBondContact OD1-NH2 2.98Å; D118-Q122 WeakPolarHBondContact O-CG 3.33Å; D118-Q122 PolarHBondContact O-N 3.49Å
119E91.7Very high88.4Confident68 Ų6862.2 Ų62.232%0.31831%0.308SS..Hα-helixtrans-66.9-41171.4-167.2-170-174.200111.6K112 Y114 D116 R121 Q122 E123K112-E119 WeakPolarHBondContact CE-OE1 3.4Å; K112-E119 IonicContact NZ-OE1 3.35Å; K112-E119 PolarHBondContact NZ-OE1 3.21Å; Y114-E119 HydrophobicContact CD1-CB 4.21Å; Y114-E119 HydrophobicContact CD1-CG 3.79Å; Y114-E119 HydrophobicContact CE1-CG 3.93Å; D116-E119 HydrophobicContact CB-CB 4.01Å; D116-E119 PolarHBondContact O-N 2.92Å; E119-R121 VanDerWaalsContact C-N 3.29Å; E119-R121 PolarHBondContact O-N 2.67Å; E119-Q122 PolarHBondContact O-N 3.44Å; E119-E123 WeakPolarHBondContact O-CB 3.45Å; E119-E123 PolarHBondContact O-N 2.77Å
120I91.8Very high88.4Confident0 Ų069.4 Ų69.40%033%0.331CS..Hα-helixtrans-57.9-43.1172.9-66.8172.2000110.8L50 F106 Y114 D116 F117 E123 I124 L145 I147L50-I120 HydrophobicContact CB-CG2 4.41Å; F106-I120 HydrophobicContact CE2-CB 4.46Å; F106-I120 HydrophobicContact CE2-CG1 4.41Å; F106-I120 HydrophobicContact CE2-CG2 4.12Å; F106-I120 HydrophobicContact CZ-CG2 3.82Å; Y114-I120 VanDerWaalsContact CB-CG1 3.47Å; Y114-I120 HydrophobicContact CD1-CG1 4.01Å; Y114-I120 HydrophobicContact CG-CG1 3.96Å; D116-I120 WeakPolarHBondContact O-CG1 3.5Å; D116-I120 PolarHBondContact O-N 2.84Å; F117-I120 HydrophobicContact CD1-CD1 3.96Å; F117-I120 HydrophobicContact CE1-CD1 4.22Å; F117-I120 HydrophobicContact CG-CD1 4.28Å; I120-E123 PolarHBondContact O-N 3.23Å; I120-I124 HydrophobicContact CG2-CD1 4.23Å; I120-I124 WeakPolarHBondContact O-CG1 3.48Å; I120-I124 PolarHBondContact O-N 3.45Å; I120-I124 VanDerWaalsContact O-N 3.08Å; I120-L145 HydrophobicContact CG2-CD1 4.19Å; I120-L145 HydrophobicContact CG2-CD2 3.64Å; I120-I147 HydrophobicContact CD1-CD1 3.84Å
121R89.7Confident88.5Confident53 Ų5365.2 Ų65.220%0.232%0.316CS..Hα-helixtrans-62.6-47.6178.4-164.4-174.8-50.1118.217.3111.6D49 L50 L51 P52 F117 D118 E119 E123 I124 E125D49-R121 PolarHBondContact O-NH2 3.39Å; L50-R121 WeakPolarHBondContact O-CA 3.39Å; L51-R121 VanDerWaalsContact O-CD 3.24Å; L51-R121 WeakPolarHBondContact O-CD 3.42Å; L51-R121 PolarHBondContact O-NE 3.08Å; P52-R121 HydrophobicContact CG-CG 4.48Å; F117-R121 PolarHBondContact O-N 2.99Å; F117-R121 VanDerWaalsContact O-N 3.1Å; D118-R121 PolarHBondContact O-N 3.14Å; D118-R121 IonicContact OD1-CZ 2.95Å; D118-R121 IonicContact OD1-NH1 2.69Å; D118-R121 PolarHBondContact OD1-NH1 3.35Å; D118-R121 IonicContact OD1-NH2 2.66Å; D118-R121 PolarHBondContact OD1-NH2 2.98Å; E119-R121 VanDerWaalsContact C-N 3.29Å; E119-R121 PolarHBondContact O-N 2.67Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 3.46Å; R121-I124 PolarHBondContact O-N 2.94Å; R121-E125 WeakPolarHBondContact O-CG 3.25Å; R121-E125 PolarHBondContact O-N 3.12Å; R121-E125 VanDerWaalsContact O-N 3.09Å
122Q89.9Confident88.3Confident113 Ų11359.9 Ų59.953%0.52829%0.289SS..Hα-helixtrans-61.9-38.4177-70171.524.600111.9D118 E119 E125 N126D118-Q122 WeakPolarHBondContact O-CG 3.33Å; D118-Q122 PolarHBondContact O-N 3.49Å; E119-Q122 PolarHBondContact O-N 3.44Å; Q122-E125 PolarHBondContact O-N 3.44Å; Q122-N126 WeakPolarHBondContact O-CB 3.31Å; Q122-N126 PolarHBondContact O-N 3.35Å; Q122-N126 PolarHBondContact O-ND2 3.18Å; Q122-N126 VanDerWaalsContact O-ND2 3.1Å
123E92.6Very high87.6Confident33 Ų3357.4 Ų57.415%0.15429%0.287CS..Hα-helixtrans-62.8-41.3175.1-173.171.5-135.600112.1F106 H108 Y114 E119 I120 R121 E125 N126 E127F106-E123 HydrophobicContact CD2-CG 3.85Å; F106-E123 HydrophobicContact CE1-CG 4.3Å; F106-E123 HydrophobicContact CE2-CB 3.75Å; F106-E123 HydrophobicContact CE2-CG 3.53Å; F106-E123 HydrophobicContact CG-CG 4.37Å; F106-E123 HydrophobicContact CZ-CB 3.83Å; F106-E123 HydrophobicContact CZ-CG 3.77Å; H108-E123 IonicContact CD2-OE1 3.79Å; H108-E123 IonicContact CE1-OE1 3.93Å; H108-E123 IonicContact NE2-OE1 2.83Å; H108-E123 PolarHBondContact NE2-OE1 3.12Å; Y114-E123 HydrophobicContact CE1-CB 3.96Å; Y114-E123 HydrophobicContact CE1-CG 4.07Å; Y114-E123 PolarHBondContact OH-OE2 3.32Å; E119-E123 WeakPolarHBondContact O-CB 3.45Å; E119-E123 PolarHBondContact O-N 2.77Å; I120-E123 PolarHBondContact O-N 3.23Å; R121-E123 VanDerWaalsContact C-N 3.32Å; R121-E123 PolarHBondContact O-N 3.46Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 2.85Å; E123-N126 PolarHBondContact O-N 3.45Å; E123-E127 VanDerWaalsContact O-CB 3.31Å; E123-E127 WeakPolarHBondContact O-CB 3.43Å; E123-E127 PolarHBondContact O-N 2.95Å
124I90.6Very high86.6Confident7 Ų758.7 Ų58.74%0.03629%0.294CS..Hα-helixtrans-62.4-42.4174.6-63.4162.6000110.6L50 P52 L63 F106 I120 R121 T128 I143 L145L50-I124 HydrophobicContact CD1-CD1 4.39Å; L50-I124 WeakPolarHBondContact O-CD1 2.98Å; P52-I124 HydrophobicContact CG-CB 4.09Å; P52-I124 HydrophobicContact CG-CG2 3.64Å; L63-I124 HydrophobicContact CD2-CD1 4.14Å; F106-I124 HydrophobicContact CE1-CG1 3.78Å; F106-I124 HydrophobicContact CZ-CG1 3.81Å; I120-I124 HydrophobicContact CG2-CD1 4.23Å; I120-I124 WeakPolarHBondContact O-CG1 3.48Å; I120-I124 PolarHBondContact O-N 3.45Å; I120-I124 VanDerWaalsContact O-N 3.08Å; R121-I124 PolarHBondContact O-N 2.94Å; I124-T128 WeakPolarHBondContact O-CB 3.31Å; I124-T128 PolarHBondContact O-N 3.06Å; I124-T128 PolarHBondContact O-OG1 3.43Å; I124-I143 HydrophobicContact CG2-CD1 4.28Å; I124-L145 HydrophobicContact CD1-CD2 3.99Å
125E88.6Confident85.4Confident68 Ų6863.3 Ų63.332%0.31832%0.319SS..Hα-helixtrans-63.2-50.8177.4-68.8170.6177.500110.8P52 R121 Q122 E123 E127 T128 E129P52-E125 WeakPolarHBondContact CA-OE1 3.27Å; P52-E125 HydrophobicContact CB-CG 3.76Å; P52-E125 WeakPolarHBondContact CB-OE1 3.27Å; P52-E125 HydrophobicContact CG-CG 3.68Å; R121-E125 WeakPolarHBondContact O-CG 3.25Å; R121-E125 PolarHBondContact O-N 3.12Å; R121-E125 VanDerWaalsContact O-N 3.09Å; Q122-E125 PolarHBondContact O-N 3.44Å; E123-E125 VanDerWaalsContact C-N 3.34Å; E123-E125 PolarHBondContact O-N 2.85Å; E125-E127 PolarHBondContact O-N 3.03Å; E125-T128 WeakPolarHBondContact O-CB 3.25Å; E125-T128 PolarHBondContact O-N 3.11Å; E125-E129 WeakPolarHBondContact O-CG 3.4Å; E125-E129 PolarHBondContact O-N 3.1Å
126N88.8Confident84.5Confident96 Ų9664 Ų6451%0.51332%0.315SS..Hα-helixtrans-58.6-48.9178.7-69.3-29000112.8Q122 E123 T128 E129 R130Q122-N126 WeakPolarHBondContact O-CB 3.31Å; Q122-N126 PolarHBondContact O-N 3.35Å; Q122-N126 PolarHBondContact O-ND2 3.18Å; Q122-N126 VanDerWaalsContact O-ND2 3.1Å; E123-N126 PolarHBondContact O-N 3.45Å; N126-T128 VanDerWaalsContact C-N 3.31Å; N126-T128 PolarHBondContact O-N 3.32Å; N126-E129 PolarHBondContact O-N 3.33Å; N126-R130 WeakPolarHBondContact O-CB 3.29Å; N126-R130 PolarHBondContact O-N 3.43Å
127E88.8Confident83.7Confident15 Ų1561 Ų617%0.0730%0.304CS..Hα-helixtrans-75.3-21.2-178.3-176.553.6-146.100112.5R61 H108 E123 E125 R130 I143R61-E127 IonicContact CZ-OE1 2.64Å; R61-E127 PolarHBondContact NH1-O 3.11Å; R61-E127 VanDerWaalsContact NH1-O 3.14Å; R61-E127 IonicContact NH1-OE1 2.69Å; R61-E127 PolarHBondContact NH1-OE1 3.34Å; H108-E127 IonicContact CD2-OE2 2.84Å; E123-E127 VanDerWaalsContact O-CB 3.31Å; E123-E127 WeakPolarHBondContact O-CB 3.43Å; E123-E127 PolarHBondContact O-N 2.95Å; E125-E127 PolarHBondContact O-N 3.03Å; E127-R130 VanDerWaalsContact OE2-CD 3.22Å; E127-R130 WeakPolarHBondContact OE2-CD 3.42Å; E127-R130 IonicContact OE2-NH1 2.68Å; E127-R130 PolarHBondContact OE2-NH1 3.13Å; E127-I143 HydrophobicContact CB-CD1 4.42Å; E127-I143 HydrophobicContact CG-CD1 4.34Å; E127-I143 HydrophobicContact CG-CG1 4.43Å
128T87.4Confident83.4Confident8 Ų860.7 Ų60.75%0.04930%0.304CS..Hα-helixtrans-69.6-52165.9-63.10000110.3R60 R61 I124 E125 N126 R130 I131 S132R60-T128 HydrophobicContact CB-CG2 3.72Å; R61-T128 HydrophobicContact CB-CG2 4.37Å; I124-T128 WeakPolarHBondContact O-CB 3.31Å; I124-T128 PolarHBondContact O-N 3.06Å; I124-T128 PolarHBondContact O-OG1 3.43Å; E125-T128 WeakPolarHBondContact O-CB 3.25Å; E125-T128 PolarHBondContact O-N 3.11Å; N126-T128 VanDerWaalsContact C-N 3.31Å; N126-T128 PolarHBondContact O-N 3.32Å; T128-R130 VanDerWaalsContact C-N 3.31Å; T128-R130 PolarHBondContact O-N 2.9Å; T128-I131 PolarHBondContact O-N 3.38Å; T128-S132 WeakPolarHBondContact O-CB 3.4Å; T128-S132 PolarHBondContact O-N 2.89Å; T128-S132 PolarHBondContact O-OG 2.86Å
129E85.9Confident83.1Confident79 Ų7957.8 Ų57.837%0.36929%0.289SS..Hα-helixtrans-65.5-32.4-178.1-72.3-174.2178.200113.5R60 E125 N126 I131 G133R60-E129 IonicContact NH2-OE1 2.79Å; R60-E129 PolarHBondContact NH2-OE1 2.96Å; E125-E129 WeakPolarHBondContact O-CG 3.4Å; E125-E129 PolarHBondContact O-N 3.1Å; N126-E129 PolarHBondContact O-N 3.33Å; E129-I131 VanDerWaalsContact C-N 3.29Å; E129-I131 PolarHBondContact O-N 2.79Å; E129-G133 CarbonylContact O-C 3.6Å; E129-G133 WeakPolarHBondContact O-CA 3.38Å; E129-G133 PolarHBondContact O-N 3.18Å
130R86.3Confident82.6Confident185 Ų18557.8 Ų57.870%0.69830%0.295SS*.Hα-helixtrans-56.7-40.1174.9-173.4-175.2-171.8165.13.4113.3N126 E127 T128N126-R130 WeakPolarHBondContact O-CB 3.29Å; N126-R130 PolarHBondContact O-N 3.43Å; E127-R130 VanDerWaalsContact OE2-CD 3.22Å; E127-R130 WeakPolarHBondContact OE2-CD 3.42Å; E127-R130 IonicContact OE2-NH1 2.68Å; E127-R130 PolarHBondContact OE2-NH1 3.13Å; T128-R130 VanDerWaalsContact C-N 3.31Å; T128-R130 PolarHBondContact O-N 2.9Å
131I82.7Confident82Confident73 Ų7362.4 Ų62.437%0.37432%0.317SS..Hα-helixtrans-100.5-42.6-175.6-58.5-56.6000112R61 T128 E129 G133R61-I131 VanDerWaalsContact NH1-CG1 3.33Å; T128-I131 PolarHBondContact O-N 3.38Å; E129-I131 VanDerWaalsContact C-N 3.29Å; E129-I131 PolarHBondContact O-N 2.79Å; I131-G133 VanDerWaalsContact C-N 3.28Å; I131-G133 PolarHBondContact O-N 2.82Å
132S75.5Confident81.8Confident20 Ų2061.6 Ų61.614%0.1432%0.319CS..Hα-helixtrans-79-11.8179.175.70000113.8R60 T128 G137R60-S132 PolarHBondContact NH1-OG 2.8Å; T128-S132 WeakPolarHBondContact O-CB 3.4Å; T128-S132 PolarHBondContact O-N 2.89Å; T128-S132 PolarHBondContact O-OG 2.86Å; S132-G137 WeakPolarHBondContact CB-O 3.39Å
133G73.3Confident81.8Confident31 Ų3156.4 Ų56.432%0.3230%0.295SS..THydrogen-bonded Turntrans64.7-179.3-164.100000112.6R60 E129 I131 N135R60-G133 PolarHBondContact NH1-O 2.86Å; R60-G133 VanDerWaalsContact NH1-O 3.14Å; E129-G133 CarbonylContact O-C 3.6Å; E129-G133 WeakPolarHBondContact O-CA 3.38Å; E129-G133 PolarHBondContact O-N 3.18Å; I131-G133 VanDerWaalsContact C-N 3.28Å; I131-G133 PolarHBondContact O-N 2.82Å; G133-N135 PolarHBondContact O-N 3.22Å
134N69.2Low81.5Confident130 Ų13056.9 Ų56.970%0.69530%0.297SS*.THydrogen-bonded Turntrans-79.9-5.5173.5-154.61.3000112.7K136N134-K136 PolarHBondContact O-N 2.8Å
135N66.4Low81.4Confident97 Ų9756.6 Ų56.652%0.51930%0.295SS..THydrogen-bonded Turntrans-8228.1-173.7-156.873.3000114.3G133 G137 D170G133-N135 PolarHBondContact O-N 3.22Å; N135-G137 PolarHBondContact O-N 2.69Å; N135-D170 PolarHBondContact ND2-O 3.19Å; N135-D170 VanDerWaalsContact ND2-O 3.1Å; N135-D170 VanDerWaalsContact OD1-CB 3.29Å; N135-D170 WeakPolarHBondContact OD1-CB 3.4Å
136K69.3Low81.4Confident89 Ų8955.4 Ų55.439%0.38729%0.289SS..THydrogen-bonded Turntrans52.418.8177.1-58.3175.5-178.2166.20116.4N134 Q171N134-K136 PolarHBondContact O-N 2.8Å; K136-Q171 HydrophobicContact CB-CG 3.81Å
137G73.7Confident81.4Confident20 Ų2050.9 Ų50.921%0.20627%0.265CS..  trans-67.6165.8175.800000112.5S132 N135S132-G137 WeakPolarHBondContact CB-O 3.39Å; N135-G137 PolarHBondContact O-N 2.69Å
138V81.2Confident81.4Confident12 Ų1252 Ų527%0.07327%0.269CS..  trans-114.4136.7175.8167.30000109.5R60 P161 I175 Q178 I179 L182R60-V138 VanDerWaalsContact O-CA 3.27Å; R60-V138 WeakPolarHBondContact O-CA 3.49Å; V138-P161 HydrophobicContact CG1-CG 4.07Å; V138-I175 HydrophobicContact CB-CD1 4.18Å; V138-I175 HydrophobicContact CG2-CD1 3.82Å; V138-Q178 PolarHBondContact O-NE2 2.67Å; V138-I179 HydrophobicContact CG2-CD1 4.28Å; V138-I179 HydrophobicContact CG2-CG1 4.11Å; V138-L182 HydrophobicContact CG1-CD1 3.58Å
139S82.9Confident81.2Confident16 Ų1651.7 Ų51.711%0.11227%0.268CS..  trans-112.7139.7176.91790000110.9R60 P62 E141R60-S139 PolarHBondContact O-N 2.58Å; R60-S139 VanDerWaalsContact O-N 3.14Å; P62-S139 WeakPolarHBondContact CD-O 3.4Å; S139-E141 PolarHBondContact OG-N 2.81Å
140P79.4Confident80.9Confident68 Ų6849.4 Ų49.444%0.44226%0.26SS..SBendtrans-79.4-15.4176.633.3-36.3000114
141E80.7Confident80.4Confident98 Ų9846.5 Ų46.546%0.45826%0.258SS..SBendtrans-70.5126.4-178.9-169-166.414600110.2R61 S139R61-E141 WeakPolarHBondContact CD-O 3.27Å; R61-E141 WeakPolarHBondContact CG-O 2.72Å; R61-E141 IonicContact CZ-OE1 2.75Å; R61-E141 PolarHBondContact NE-O 3.35Å; R61-E141 IonicContact NH2-OE1 3.65Å; R61-E141 PolarHBondContact NH2-OE1 3.07Å; R61-E141 IonicContact NH2-OE2 3.15Å; S139-E141 PolarHBondContact OG-N 2.81Å
142P85.3Confident80.1Confident36 Ų3643.2 Ų43.223%0.23424%0.241CC..PPolyproline II helixtrans-79.2151.8-17730.4-35000113.7R61 P62 I64R61-P142 PolarHBondContact NH2-O 3.08Å; R61-P142 VanDerWaalsContact NH2-O 3.16Å; P62-P142 HydrophobicContact CB-CB 4.23Å; P62-P142 CarbonylContact O-C 3.52Å; P62-P142 VanDerWaalsContact O-CA 3.29Å; P62-P142 WeakPolarHBondContact O-CA 3.43Å; I64-P142 HydrophobicContact CD1-CB 3.63Å; I64-P142 HydrophobicContact CD1-CG 3.97Å; I64-P142 HydrophobicContact CG1-CB 3.98Å
143I88.3Confident80Confident4 Ų444.7 Ų44.72%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-91.7133.8161.2-58.4177.3000107.9R61 P62 L63 I64 F106 I124 E127R61-I143 HydrophobicContact CB-CD1 4.47Å; R61-I143 HydrophobicContact CG-CD1 4.38Å; R61-I143 HydrophobicContact CG-CG1 4.04Å; P62-I143 PolarHBondContact O-N 3.28Å; L63-I143 HydrophobicContact CD1-CB 3.81Å; L63-I143 HydrophobicContact CD1-CG2 3.74Å; I64-I143 PolarHBondContact N-O 3.1Å; F106-I143 HydrophobicContact CD1-CG2 3.95Å; F106-I143 HydrophobicContact CE1-CG2 4.01Å; I124-I143 HydrophobicContact CG2-CD1 4.28Å; E127-I143 HydrophobicContact CB-CD1 4.42Å; E127-I143 HydrophobicContact CG-CD1 4.34Å; E127-I143 HydrophobicContact CG-CG1 4.43Å
144H87.2Confident80Confident43 Ų4344.1 Ų44.120%0.19924%0.239CC..EExtended strand (participates in β ladder)trans-108.9119178-71.487.1000111N16 F106 L107N16-H144 PolarHBondContact ND2-NE2 3.47Å; F106-H144 WeakPolarHBondContact CA-O 3.37Å; L107-H144 HydrophobicContact CB-CB 3.71Å; L107-H144 HydrophobicContact CD2-CB 4.07Å; L107-H144 PolarHBondContact N-O 2.9Å
145L89.3Confident80.4Confident1 Ų138.1 Ų38.11%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-129.6120.5-178.4172.957.3000111.1L50 L63 I64 L65 Q66 F106 I120 I124 I147L50-L145 HydrophobicContact CD1-CD2 4Å; L63-L145 HydrophobicContact CD1-CB 4.11Å; I64-L145 PolarHBondContact O-N 2.82Å; L65-L145 HydrophobicContact CD1-CD2 4.06Å; L65-L145 HydrophobicContact CD1-CG 4.12Å; Q66-L145 PolarHBondContact N-O 3.46Å; F106-L145 HydrophobicContact CD1-CB 4.06Å; F106-L145 HydrophobicContact CD1-CD1 4.04Å; F106-L145 HydrophobicContact CD2-CD1 4.11Å; F106-L145 HydrophobicContact CE1-CB 3.97Å; F106-L145 HydrophobicContact CE1-CD1 3.86Å; F106-L145 HydrophobicContact CE1-CD2 4.09Å; F106-L145 HydrophobicContact CE1-CG 4.19Å; F106-L145 HydrophobicContact CE2-CD1 3.92Å; F106-L145 HydrophobicContact CG-CD1 4.17Å; F106-L145 HydrophobicContact CZ-CD1 3.8Å; F106-L145 HydrophobicContact CZ-CD2 4.12Å; F106-L145 HydrophobicContact CZ-CG 4.42Å; I120-L145 HydrophobicContact CG2-CD1 4.19Å; I120-L145 HydrophobicContact CG2-CD2 3.64Å; I124-L145 HydrophobicContact CD1-CD2 3.99Å; L145-I147 HydrophobicContact CD1-CD1 3.84Å; L145-I147 HydrophobicContact CD1-CG1 4.48Å; L145-I147 HydrophobicContact CD2-CD1 4.15Å; L145-I147 HydrophobicContact CD2-CG1 4.44Å; L145-I147 HydrophobicContact CG-CD1 4Å; L145-I147 HydrophobicContact CG-CG1 4.18Å
146K88.3Confident81.1Confident43 Ų4333.7 Ų33.719%0.18718%0.184CC..EExtended strand (participates in β ladder)trans-98.3127.6171.1-67.3175.2-178.8170.30109.6D13 Q66 G104 K105 F148D13-K146 IonicContact OD1-NZ 3.25Å; D13-K146 PolarHBondContact OD1-NZ 2.86Å; D13-K146 IonicContact OD2-NZ 2.68Å; D13-K146 PolarHBondContact OD2-NZ 3.27Å; Q66-K146 HydrophobicContact CB-CG 4.13Å; Q66-K146 HydrophobicContact CG-CG 4.37Å; Q66-K146 CarbonylContact O-C 3.57Å; Q66-K146 WeakPolarHBondContact O-CA 3.38Å; G104-K146 CarbonylContact C-O 3.5Å; G104-K146 VanDerWaalsContact CA-O 3.27Å; G104-K146 WeakPolarHBondContact CA-O 3.29Å; K105-K146 PolarHBondContact N-O 2.99Å; K105-K146 PolarHBondContact O-N 3.47Å; K146-F148 HydrophobicContact CB-CE2 3.72Å; K146-F148 HydrophobicContact CB-CZ 4.07Å
147I89.3Confident81.9Confident0 Ų029.5 Ų29.50%017%0.165CC..EExtended strand (participates in β ladder)trans-114.8129.2174.3-62.2-59.8000109V46 L50 L65 Q66 L67 V68 F117 I120 L145V46-I147 HydrophobicContact CG1-CG2 4.13Å; L50-I147 HydrophobicContact CD2-CG1 4.39Å; L65-I147 HydrophobicContact CD1-CG1 3.74Å; Q66-I147 PolarHBondContact O-N 3.48Å; L67-I147 HydrophobicContact CD2-CB 3.83Å; L67-I147 HydrophobicContact CD2-CG2 3.95Å; V68-I147 PolarHBondContact N-O 3.1Å; F117-I147 HydrophobicContact CE1-CD1 4.07Å; F117-I147 HydrophobicContact CE1-CG2 4.07Å; F117-I147 HydrophobicContact CZ-CG2 4.4Å; I120-I147 HydrophobicContact CD1-CD1 3.84Å; L145-I147 HydrophobicContact CD1-CD1 3.84Å; L145-I147 HydrophobicContact CD1-CG1 4.48Å; L145-I147 HydrophobicContact CD2-CD1 4.15Å; L145-I147 HydrophobicContact CD2-CG1 4.44Å; L145-I147 HydrophobicContact CG-CD1 4Å; L145-I147 HydrophobicContact CG-CG1 4.18Å
148F87Confident82.6Confident38 Ų3828.5 Ų28.517%0.16716%0.155CC..EExtended strand (participates in β ladder)trans-111.7123.1-178.5-62.4-92.1000109V68 V70 E102 W103 K105 K146V68-F148 HydrophobicContact CB-CD1 3.81Å; V68-F148 HydrophobicContact CB-CE1 4.03Å; V68-F148 HydrophobicContact CB-CG 4.5Å; V68-F148 HydrophobicContact CG1-CD1 3.88Å; V68-F148 HydrophobicContact CG1-CE1 3.99Å; V68-F148 HydrophobicContact CG2-CD1 4.39Å; V68-F148 HydrophobicContact CG2-CE1 4.15Å; V68-F148 WeakPolarHBondContact O-CA 3.46Å; V70-F148 HydrophobicContact CG2-CB 3.84Å; V70-F148 HydrophobicContact CG2-CD1 3.88Å; V70-F148 HydrophobicContact CG2-CG 4.37Å; E102-F148 VanDerWaalsContact CA-O 3.23Å; E102-F148 WeakPolarHBondContact CA-O 3.35Å; W103-F148 AromaticContact CD1-CD2 3.62Å; W103-F148 HydrophobicContact CD2-CB 3.69Å; W103-F148 HydrophobicContact CD2-CD2 4.4Å; W103-F148 HydrophobicContact CD2-CG 4.23Å; W103-F148 VanDerWaalsContact CE2-CB 3.44Å; W103-F148 AromaticContact CE2-CD2 3.73Å; W103-F148 AromaticContact CE2-CG 3.52Å; W103-F148 HydrophobicContact CE3-CB 4.04Å; W103-F148 HydrophobicContact CG-CB 4.23Å; W103-F148 HydrophobicContact CG-CD2 4.34Å; W103-F148 HydrophobicContact CH2-CB 3.98Å; W103-F148 HydrophobicContact CH2-CG 4.45Å; W103-F148 HydrophobicContact CZ2-CB 3.6Å; W103-F148 AromaticContact CZ2-CD1 3.87Å; W103-F148 HydrophobicContact CZ2-CD1 3.87Å; W103-F148 HydrophobicContact CZ2-CD2 4.26Å; W103-F148 AromaticContact CZ2-CG 3.65Å; W103-F148 HydrophobicContact CZ2-CG 3.65Å; W103-F148 HydrophobicContact CZ3-CB 4.17Å; W103-F148 PolarHBondContact N-O 3.02Å; W103-F148 AromaticContact NE1-CD2 3.19Å; W103-F148 AromaticContact NE1-CE2 3.75Å; W103-F148 AromaticContact NE1-CG 3.51Å; W103-F148 PolarHBondContact O-N 3.29Å; K105-F148 HydrophobicContact CB-CE2 4.14Å; K146-F148 HydrophobicContact CB-CE2 3.72Å; K146-F148 HydrophobicContact CB-CZ 4.07Å
149S84.1Confident83.1Confident2 Ų228 Ų281%0.01415%0.152CC..EExtended strand (participates in β ladder)trans-158.9148.9-178.5156.10000111.6V68 H69 V70 E102 N151 V152V68-S149 PolarHBondContact O-N 3.27Å; V68-S149 VanDerWaalsContact O-N 3.08Å; H69-S149 CarbonylContact C-O 3.49Å; H69-S149 VanDerWaalsContact CA-O 3.27Å; H69-S149 WeakPolarHBondContact CA-O 3.44Å; V70-S149 PolarHBondContact N-O 2.76Å; E102-S149 VanDerWaalsContact OE1-CB 3.28Å; E102-S149 WeakPolarHBondContact OE1-CB 3.45Å; E102-S149 PolarHBondContact OE1-OG 3.45Å; S149-N151 VanDerWaalsContact C-N 3.28Å; S149-N151 PolarHBondContact OG-N 2.89Å; S149-V152 PolarHBondContact OG-N 2.73Å
150P80.5Confident83.4Confident31 Ų3127.3 Ų27.320%0.20115%0.147CC..SBendtrans-78.7-11.2171.133.5-34000113H69 V70 E101H69-P150 PolarHBondContact CD2-O 3.37Å; H69-P150 PolarHBondContact NE2-O 3.13Å; V70-P150 WeakPolarHBondContact O-CA 3.39Å; V70-P150 WeakPolarHBondContact O-CB 3.29Å; E101-P150 HydrophobicContact CG-CG 3.99Å
151N73.9Confident83.8Confident125 Ų12524.1 Ų24.167%0.66813%0.127SC*.SBendtrans-97.7-13.4-173.9-62.4-63.4000113.3E102 S149E102-N151 PolarHBondContact OE1-ND2 3.44Å; S149-N151 VanDerWaalsContact C-N 3.28Å; S149-N151 PolarHBondContact OG-N 2.89Å
152V76.8Confident84.1Confident3 Ų319.9 Ų19.92%0.01811%0.109CC..SBendtrans-96.5156.7179.8-57.50000111.4V46 L67 H69 S149V46-V152 HydrophobicContact CG1-CG1 4.32Å; V46-V152 VanDerWaalsContact O-CG1 3.28Å; V46-V152 WeakPolarHBondContact O-CG1 3.39Å; L67-V152 HydrophobicContact CB-CB 4.3Å; L67-V152 HydrophobicContact CB-CG2 4.09Å; L67-V152 HydrophobicContact CD1-CB 4.44Å; L67-V152 HydrophobicContact CD2-CB 4.15Å; L67-V152 HydrophobicContact CD2-CG1 3.95Å; L67-V152 HydrophobicContact CD2-CG2 4.23Å; H69-V152 WeakPolarHBondContact CB-O 3.32Å; H69-V152 PolarHBondContact CD2-O 3.37Å; H69-V152 VanDerWaalsContact CD2-O 3.28Å; S149-V152 PolarHBondContact OG-N 2.73Å
153V73.9Confident84.1Confident52 Ų5219.1 Ų19.132%0.31510%0.102SC..  trans-94.4144.8170-175.10000108.5L67 L155 N303L67-V153 WeakPolarHBondContact CB-O 3.27Å; V153-L155 PolarHBondContact O-N 3.14Å; V153-L155 VanDerWaalsContact O-N 3.08Å; V153-N303 HydrophobicContact CG1-CB 3.63Å; V153-N303 VanDerWaalsContact CG1-CG 3.42Å; V153-N303 WeakPolarHBondContact CG1-ND2 3.5Å
154N72.3Confident83.8Confident19 Ų1919.3 Ų19.310%0.10210%0.104CC..SBendtrans-50.4115.8169.1-77-23.1000109.8I5 L67 V68 H69I5-N154 HydrophobicContact CB-CB 3.9Å; I5-N154 HydrophobicContact CD1-CB 3.85Å; I5-N154 WeakPolarHBondContact CD1-O 3.39Å; I5-N154 HydrophobicContact CG1-CB 4.44Å; I5-N154 HydrophobicContact CG2-CB 3.84Å; L67-N154 WeakPolarHBondContact O-CA 3.1Å; V68-N154 WeakPolarHBondContact CA-OD1 3.44Å; H69-N154 PolarHBondContact N-OD1 2.84Å
155L77.6Confident83.2Confident4 Ų423.5 Ų23.52%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-162.8130.5-173.4-160.464.4000111.3I28 L67 V153 L157 L302 L306I28-L155 HydrophobicContact CD1-CD1 3.54Å; I28-L155 HydrophobicContact CD1-CG 4.08Å; L67-L155 HydrophobicContact CB-CB 4.35Å; L67-L155 WeakPolarHBondContact CB-O 3.33Å; L67-L155 HydrophobicContact CD1-CB 4.37Å; L67-L155 PolarHBondContact N-O 2.66Å; L67-L155 PolarHBondContact O-N 3.26Å; V153-L155 PolarHBondContact O-N 3.14Å; V153-L155 VanDerWaalsContact O-N 3.08Å; L155-L157 HydrophobicContact CB-CD1 4.14Å; L155-L157 HydrophobicContact CD2-CD1 3.94Å; L155-L157 HydrophobicContact CD2-CD2 3.9Å; L155-L157 HydrophobicContact CD2-CG 4.16Å; L155-L157 HydrophobicContact CG-CD1 3.86Å; L155-L157 HydrophobicContact CG-CD2 4.31Å; L155-L157 HydrophobicContact CG-CG 4.06Å; L155-L302 HydrophobicContact CD1-CB 4.14Å; L155-L302 HydrophobicContact CD2-CB 4.14Å; L155-L302 HydrophobicContact CD2-CD1 4.27Å; L155-L306 HydrophobicContact CD1-CD2 3.84Å
156T81.1Confident82.6Confident4 Ų428.3 Ų28.33%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-111.9119.8176.7-51.40000109.8N9 I28 I64 Q66N9-T156 PolarHBondContact OD1-OG1 3.3Å; I28-T156 PolarHBondContact N-O 2.71Å; I64-T156 HydrophobicContact CG2-CG2 4.26Å; Q66-T156 HydrophobicContact CB-CG2 4.46Å
157L86.6Confident82Confident0 Ų028.8 Ų28.80%016%0.158CC..EExtended strand (participates in β ladder)trans-126.5144.1-174.9-46.8100.6000110.4I28 L42 L45 L65 L67 L155I28-L157 CarbonylContact O-C 3.58Å; I28-L157 WeakPolarHBondContact O-CA 2.92Å; L42-L157 HydrophobicContact CD2-CB 3.98Å; L42-L157 HydrophobicContact CD2-CD2 3.72Å; L42-L157 HydrophobicContact CD2-CG 4.31Å; L45-L157 HydrophobicContact CD1-CD2 3.81Å; L65-L157 PolarHBondContact N-O 3.4Å; L65-L157 PolarHBondContact O-N 2.66Å; L67-L157 HydrophobicContact CD1-CD1 4.08Å; L155-L157 HydrophobicContact CB-CD1 4.14Å; L155-L157 HydrophobicContact CD2-CD1 3.94Å; L155-L157 HydrophobicContact CD2-CD2 3.9Å; L155-L157 HydrophobicContact CD2-CG 4.16Å; L155-L157 HydrophobicContact CG-CD1 3.86Å; L155-L157 HydrophobicContact CG-CD2 4.31Å; L155-L157 HydrophobicContact CG-CG 4.06Å
158V88.9Confident81.1Confident0 Ų032.1 Ų32.10%018%0.178CC..EExtended strand (participates in β ladder)trans-112.1108.5174.1-1690000108.2Q27 I28 V29 V30 L63 I64 L160 F186Q27-V158 HydrophobicContact CB-CG2 4.42Å; I28-V158 PolarHBondContact O-N 3.32Å; V29-V158 HydrophobicContact CG2-CB 4.47Å; V29-V158 HydrophobicContact CG2-CG2 4.48Å; V30-V158 PolarHBondContact N-O 3.18Å; L63-V158 CarbonylContact O-C 3.54Å; L63-V158 WeakPolarHBondContact O-CA 3.39Å; I64-V158 HydrophobicContact CG1-CG1 4.27Å; I64-V158 HydrophobicContact CG1-CG2 4.26Å; V158-L160 HydrophobicContact CG1-CD2 3.7Å; V158-L160 HydrophobicContact CG1-CG 4.34Å; V158-F186 HydrophobicContact CG1-CD1 4.22Å; V158-F186 HydrophobicContact CG1-CE1 4.27Å
159D91Very high80.4Confident2 Ų233.1 Ų33.11%0.01120%0.2CC..EExtended strand (participates in β ladder)trans-79.4131.8168.4-167.138.2000109.4L42 T59 P62 L63L42-D159 HydrophobicContact CD1-CB 3.49Å; L42-D159 VanDerWaalsContact CD1-CB 3.49Å; L42-D159 VanDerWaalsContact CD1-CG 3.46Å; L42-D159 WeakPolarHBondContact CD1-OD1 3.32Å; T59-D159 WeakPolarHBondContact CG2-OD2 3.37Å; T59-D159 PolarHBondContact OG1-OD2 3.43Å; P62-D159 WeakPolarHBondContact CA-O 3.28Å; L63-D159 HydrophobicContact CB-CB 4.28Å; L63-D159 PolarHBondContact N-O 3.38Å; L63-D159 PolarHBondContact O-N 3Å
160L89.8Confident79.7Confident1 Ų138 Ų381%0.00523%0.225CC..  trans-118.2151.7-179.7-62.2-174.9000111.5V29 V31 K38 P62 V158 G162 L182 I183 F186V29-L160 HydrophobicContact CG1-CD1 3.35Å; V29-L160 HydrophobicContact CG1-CG 4Å; V31-L160 HydrophobicContact CG1-CD1 4.4Å; K38-L160 VanDerWaalsContact CE-O 3.32Å; K38-L160 WeakPolarHBondContact CE-O 3.35Å; P62-L160 HydrophobicContact CB-CD2 3.93Å; P62-L160 HydrophobicContact CG-CD2 4.24Å; V158-L160 HydrophobicContact CG1-CD2 3.7Å; V158-L160 HydrophobicContact CG1-CG 4.34Å; L160-G162 PolarHBondContact O-N 3.15Å; L160-L182 HydrophobicContact CD2-CD2 3.95Å; L160-I183 HydrophobicContact CB-CG1 4.29Å; L160-I183 HydrophobicContact CD1-CB 4.21Å; L160-I183 HydrophobicContact CD1-CG1 3.87Å; L160-I183 HydrophobicContact CD1-CG2 4.19Å; L160-F186 HydrophobicContact CD1-CB 4.14Å; L160-F186 HydrophobicContact CD1-CD2 4.16Å; L160-F186 HydrophobicContact CD1-CG 4.42Å; L160-F186 HydrophobicContact CD2-CD2 3.58Å; L160-F186 HydrophobicContact CD2-CE2 3.83Å; L160-F186 HydrophobicContact CD2-CG 4.13Å
161P87.8Confident79.2Confident1 Ų137.3 Ų37.31%0.00622%0.219CC..PPolyproline II helixtrans-47.6135.5171.2-27.534.4000112.7T59 V138 I179 L182T59-P161 VanDerWaalsContact O-CA 3.26Å; T59-P161 WeakPolarHBondContact O-CA 3.41Å; T59-P161 VanDerWaalsContact O-CB 3.27Å; T59-P161 WeakPolarHBondContact O-CB 3.47Å; T59-P161 WeakPolarHBondContact O-CG 3.48Å; V138-P161 HydrophobicContact CG1-CG 4.07Å; P161-I179 HydrophobicContact CB-CD1 4.28Å; P161-I179 HydrophobicContact CB-CG1 4.11Å; P161-I179 HydrophobicContact CB-CG2 4.15Å; P161-L182 HydrophobicContact CG-CD1 4.48Å; P161-L182 HydrophobicContact CG-CD2 4.3Å
162G86.6Confident79.4Confident8 Ų834 Ų348%0.08221%0.205CC..PPolyproline II helixtrans-73.7135.2178.900000112.2G32 L160 T164G32-G162 WeakPolarHBondContact O-CA 3.27Å; L160-G162 PolarHBondContact O-N 3.15Å; G162-T164 PolarHBondContact O-N 3.32Å
163M86.1Confident79.5Confident20 Ų2042.7 Ų42.710%0.09924%0.242CC..BIsolated β-bridgetrans-61.3134.5176.8-61172.472.700111.3G32 Q34 I179 I183 E208 I212G32-M163 PolarHBondContact O-N 2.8Å; Q34-M163 PolarHBondContact N-O 3.19Å; M163-I179 HydrophobicContact CG-CG2 4.44Å; M163-I183 HydrophobicContact CG-CD1 3.68Å; M163-I183 HydrophobicContact SD-CD1 4.31Å; M163-E208 HydrophobicContact CE-CB 3.91Å; M163-E208 HydrophobicContact SD-CB 3.97Å; M163-I212 HydrophobicContact CE-CD1 4.36Å; M163-I212 HydrophobicContact SD-CD1 4.34Å; M163-I212 HydrophobicContact SD-CG2 4.3Å
164T82.5Confident80Confident9 Ų945.2 Ų45.26%0.05525%0.254CS..  trans-133.3133179.7530000110.1Q34 I57 G162 E176Q34-T164 HydrophobicContact CB-CG2 3.91Å; Q34-T164 HydrophobicContact CG-CG2 4.34Å; Q34-T164 VanDerWaalsContact OE1-CG2 3.31Å; I57-T164 HydrophobicContact CD1-CG2 3.76Å; I57-T164 HydrophobicContact CG1-CG2 3.8Å; G162-T164 PolarHBondContact O-N 3.32Å; T164-E176 WeakPolarHBondContact O-CB 3.41Å; T164-E176 WeakPolarHBondContact O-CG 3.49Å
165K73.3Confident80.5Confident130 Ų13044.3 Ų44.357%0.56525%0.25SC*.SBendtrans-91-8.1-178.7-61.8-163175.6-171.60115.5E208K165-E208 WeakPolarHBondContact CE-OE1 3.26Å; K165-E208 IonicContact NZ-OE1 3.13Å; K165-E208 PolarHBondContact NZ-OE1 2.78Å
166V77.4Confident80.9Confident103 Ų10347.7 Ų47.762%0.62427%0.265SS*.SBendtrans-138123.1-178.2-176.20000107.9
167P74.8Confident81.2Confident53 Ų5352 Ų5234%0.34429%0.287SS..  trans-65.4135173.827.1-33.8000110.3Q171 I175P167-Q171 HydrophobicContact CB-CB 4.04Å; P167-I175 HydrophobicContact CB-CG2 3.86Å
168V71.3Confident81.2Confident69 Ų6955.3 Ų55.342%0.41830%0.303SS..  trans-122.1120.1-176.5-72.90000112.7
169G71.7Confident81.2Confident60 Ų6055.3 Ų55.362%0.61930%0.303SS*.SBendtrans71.5-138.9-171.800000111.3Q171G169-Q171 PolarHBondContact O-N 2.82Å
170D69.1Low81.3Confident104 Ų10459.5 Ų59.556%0.55632%0.319SS*.SBendtrans-78.918.4-171.4-40.7-75.5000114.6N135N135-D170 PolarHBondContact ND2-O 3.19Å; N135-D170 VanDerWaalsContact ND2-O 3.1Å; N135-D170 VanDerWaalsContact OD1-CB 3.29Å; N135-D170 WeakPolarHBondContact OD1-CB 3.4Å
171Q71.6Confident81.3Confident16 Ų1666.1 Ų66.18%0.07535%0.35CS..  trans-70.6142.8177.9-70.7179.7-23.100111K136 P167 G169 I175K136-Q171 HydrophobicContact CB-CG 3.81Å; P167-Q171 HydrophobicContact CB-CB 4.04Å; G169-Q171 PolarHBondContact O-N 2.82Å; Q171-I175 HydrophobicContact CB-CB 4.43Å; Q171-I175 HydrophobicContact CB-CG1 4.47Å; Q171-I175 HydrophobicContact CB-CG2 4.34Å
172P76.4Confident81.3Confident57 Ų5766.7 Ų66.737%0.3735%0.353SS..  trans-62.3149.8175.326.7-33.1000110.5D174 I175P172-D174 PolarHBondContact O-N 3.16Å; P172-D174 VanDerWaalsContact O-N 3.14Å; P172-I175 HydrophobicContact CG-CB 4.06Å; P172-I175 HydrophobicContact CG-CD1 4.14Å; P172-I175 VanDerWaalsContact O-CB 3.3Å; P172-I175 WeakPolarHBondContact O-CB 3.49Å; P172-I175 WeakPolarHBondContact O-CG2 3.29Å; P172-I175 PolarHBondContact O-N 2.77Å; P172-I175 VanDerWaalsContact O-N 3.08Å
173K80.1Confident81.6Confident184 Ų18466.3 Ų66.380%0.835%0.349SS*.THydrogen-bonded Turntrans-57.5-30.7178.2-70.7-175.8177.6179.50112.4I175K173-I175 VanDerWaalsContact C-N 3.33Å; K173-I175 PolarHBondContact O-N 2.99Å
174D84.1Confident81.9Confident106 Ų10667.5 Ų67.557%0.56736%0.355SS*.THydrogen-bonded Turntrans-91.714.5-177.5-47-59000113.4P172 E176 L177 Q178P172-D174 PolarHBondContact O-N 3.16Å; P172-D174 VanDerWaalsContact O-N 3.14Å; D174-E176 PolarHBondContact O-N 2.88Å; D174-L177 WeakPolarHBondContact O-CB 3.44Å; D174-L177 PolarHBondContact O-N 2.99Å; D174-Q178 PolarHBondContact O-N 3.38Å
175I83.8Confident82.2Confident0 Ų073.9 Ų73.90%038%0.378CS..Hα-helixtrans-57.1-33.6-177.9-167.958.4000113.2I57 V138 P167 Q171 P172 K173 Q178 I179I57-I175 HydrophobicContact CD1-CG1 4.37Å; V138-I175 HydrophobicContact CB-CD1 4.18Å; V138-I175 HydrophobicContact CG2-CD1 3.82Å; P167-I175 HydrophobicContact CB-CG2 3.86Å; Q171-I175 HydrophobicContact CB-CB 4.43Å; Q171-I175 HydrophobicContact CB-CG1 4.47Å; Q171-I175 HydrophobicContact CB-CG2 4.34Å; P172-I175 HydrophobicContact CG-CB 4.06Å; P172-I175 HydrophobicContact CG-CD1 4.14Å; P172-I175 VanDerWaalsContact O-CB 3.3Å; P172-I175 WeakPolarHBondContact O-CB 3.49Å; P172-I175 WeakPolarHBondContact O-CG2 3.29Å; P172-I175 PolarHBondContact O-N 2.77Å; P172-I175 VanDerWaalsContact O-N 3.08Å; K173-I175 VanDerWaalsContact C-N 3.33Å; K173-I175 PolarHBondContact O-N 2.99Å; I175-Q178 PolarHBondContact O-N 2.82Å; I175-I179 HydrophobicContact CD1-CD1 4.24Å; I175-I179 HydrophobicContact CD1-CG1 4.36Å; I175-I179 HydrophobicContact CG1-CD1 3.93Å; I175-I179 HydrophobicContact CG1-CG1 4.46Å; I175-I179 WeakPolarHBondContact O-CB 3.29Å; I175-I179 VanDerWaalsContact O-CG1 3.29Å; I175-I179 WeakPolarHBondContact O-CG1 3.4Å; I175-I179 PolarHBondContact O-N 3.22Å
176E86Confident82.9Confident74 Ų7468.9 Ų68.935%0.34636%0.357SS..Hα-helixtrans-64-44.5175.2-176.9170.9-16800111.4T164 D174 R180T164-E176 WeakPolarHBondContact O-CB 3.41Å; T164-E176 WeakPolarHBondContact O-CG 3.49Å; D174-E176 PolarHBondContact O-N 2.88Å; E176-R180 VanDerWaalsContact O-CB 3.28Å; E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 PolarHBondContact O-N 2.81Å
177L87Confident83.6Confident94 Ų9464 Ų6449%0.49233%0.327SS..Hα-helixtrans-66.2-45176.8-64.4175.6000110.6D174 I179 R180 E181D174-L177 WeakPolarHBondContact O-CB 3.44Å; D174-L177 PolarHBondContact O-N 2.99Å; L177-I179 PolarHBondContact O-N 2.82Å; L177-R180 PolarHBondContact O-N 3.31Å; L177-R180 VanDerWaalsContact O-N 3.14Å; L177-E181 WeakPolarHBondContact O-CG 3.38Å; L177-E181 PolarHBondContact O-N 2.9Å
178Q86.9Confident84.3Confident70 Ų7064.7 Ų64.733%0.32733%0.333SS..Hα-helixtrans-59.9-43.5178.2-165.7-1692.100112V138 D174 I175 L182V138-Q178 PolarHBondContact O-NE2 2.67Å; D174-Q178 PolarHBondContact O-N 3.38Å; I175-Q178 PolarHBondContact O-N 2.82Å; Q178-L182 VanDerWaalsContact O-CB 3.24Å; Q178-L182 WeakPolarHBondContact O-CB 3.44Å; Q178-L182 PolarHBondContact O-N 2.88Å
179I89Confident85Confident1 Ų162 Ų621%0.00532%0.316CS..Hα-helixtrans-67-40.5175.5-70.7169.8000110.8I57 V138 P161 M163 I175 L177 L182 I183I57-I179 HydrophobicContact CD1-CD1 3.64Å; V138-I179 HydrophobicContact CG2-CD1 4.28Å; V138-I179 HydrophobicContact CG2-CG1 4.11Å; P161-I179 HydrophobicContact CB-CD1 4.28Å; P161-I179 HydrophobicContact CB-CG1 4.11Å; P161-I179 HydrophobicContact CB-CG2 4.15Å; M163-I179 HydrophobicContact CG-CG2 4.44Å; I175-I179 HydrophobicContact CD1-CD1 4.24Å; I175-I179 HydrophobicContact CD1-CG1 4.36Å; I175-I179 HydrophobicContact CG1-CD1 3.93Å; I175-I179 HydrophobicContact CG1-CG1 4.46Å; I175-I179 WeakPolarHBondContact O-CB 3.29Å; I175-I179 VanDerWaalsContact O-CG1 3.29Å; I175-I179 WeakPolarHBondContact O-CG1 3.4Å; I175-I179 PolarHBondContact O-N 3.22Å; L177-I179 PolarHBondContact O-N 2.82Å; I179-L182 PolarHBondContact O-N 2.8Å; I179-I183 HydrophobicContact CG2-CD1 3.8Å; I179-I183 HydrophobicContact CG2-CG1 4.46Å; I179-I183 VanDerWaalsContact O-CG1 3.26Å; I179-I183 WeakPolarHBondContact O-CG1 3.33Å; I179-I183 PolarHBondContact O-N 3.35Å
180R91.3Very high85.6Confident89 Ų8962.7 Ų62.734%0.33631%0.31SS..Hα-helixtrans-63.8-46.8177.4-177177.3177.9-143.92.6112E176 L177 I183 L184 I212 E215E176-R180 VanDerWaalsContact O-CB 3.28Å; E176-R180 WeakPolarHBondContact O-CB 3.47Å; E176-R180 PolarHBondContact O-N 2.81Å; L177-R180 PolarHBondContact O-N 3.31Å; L177-R180 VanDerWaalsContact O-N 3.14Å; R180-I183 PolarHBondContact O-N 2.91Å; R180-L184 HydrophobicContact CG-CD1 4.07Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 VanDerWaalsContact O-CG 3.3Å; R180-L184 WeakPolarHBondContact O-CG 3.49Å; R180-L184 PolarHBondContact O-N 2.78Å; R180-I212 HydrophobicContact CG-CD1 3.83Å; R180-E215 IonicContact CZ-OE1 2.66Å; R180-E215 IonicContact CZ-OE2 2.62Å; R180-E215 IonicContact NE-OE2 2.8Å; R180-E215 IonicContact NH2-OE1 2.67Å; R180-E215 PolarHBondContact NH2-OE1 3.17Å; R180-E215 IonicContact NH2-OE2 3.26Å; R180-E215 PolarHBondContact NH2-OE2 2.99Å
181E90.3Very high86.2Confident140 Ų14059 Ų5965%0.65429%0.29SS*.Hα-helixtrans-62.3-42.5175.9-74.1-172.7161.600111.8L177 I183 L184 R185L177-E181 WeakPolarHBondContact O-CG 3.38Å; L177-E181 PolarHBondContact O-N 2.9Å; E181-I183 PolarHBondContact O-N 3.29Å; E181-L184 PolarHBondContact O-N 2.95Å; E181-R185 PolarHBondContact O-N 2.86Å
182L88.6Confident87Confident13 Ų1358.2 Ų58.27%0.06829%0.286CS..Hα-helixtrans-59.2-46.4173.5178.6157.4000111P62 V138 L160 P161 Q178 I179 R185 F186P62-L182 HydrophobicContact CG-CD1 4.12Å; P62-L182 HydrophobicContact CG-CD2 4.17Å; P62-L182 HydrophobicContact CG-CG 4.4Å; V138-L182 HydrophobicContact CG1-CD1 3.58Å; L160-L182 HydrophobicContact CD2-CD2 3.95Å; P161-L182 HydrophobicContact CG-CD1 4.48Å; P161-L182 HydrophobicContact CG-CD2 4.3Å; Q178-L182 VanDerWaalsContact O-CB 3.24Å; Q178-L182 WeakPolarHBondContact O-CB 3.44Å; Q178-L182 PolarHBondContact O-N 2.88Å; I179-L182 PolarHBondContact O-N 2.8Å; L182-R185 WeakPolarHBondContact O-CB 3.39Å; L182-R185 PolarHBondContact O-N 3.12Å; L182-F186 HydrophobicContact CD2-CD2 4.31Å; L182-F186 HydrophobicContact CD2-CE2 4.22Å; L182-F186 HydrophobicContact CG-CE2 4.38Å; L182-F186 VanDerWaalsContact O-CD2 3.24Å; L182-F186 WeakPolarHBondContact O-CD2 3.29Å
183I91.9Very high87.7Confident0 Ų055.7 Ų55.70%027%0.27CS..Hα-helixtrans-61-48.6175.6-67.5161.5000110.6V31 L160 M163 I179 R180 E181 R185 F186 I187 I212V31-I183 HydrophobicContact CB-CG2 4.47Å; V31-I183 HydrophobicContact CG1-CG2 3.57Å; L160-I183 HydrophobicContact CB-CG1 4.29Å; L160-I183 HydrophobicContact CD1-CB 4.21Å; L160-I183 HydrophobicContact CD1-CG1 3.87Å; L160-I183 HydrophobicContact CD1-CG2 4.19Å; M163-I183 HydrophobicContact CG-CD1 3.68Å; M163-I183 HydrophobicContact SD-CD1 4.31Å; I179-I183 HydrophobicContact CG2-CD1 3.8Å; I179-I183 HydrophobicContact CG2-CG1 4.46Å; I179-I183 VanDerWaalsContact O-CG1 3.26Å; I179-I183 WeakPolarHBondContact O-CG1 3.33Å; I179-I183 PolarHBondContact O-N 3.35Å; R180-I183 PolarHBondContact O-N 2.91Å; E181-I183 PolarHBondContact O-N 3.29Å; I183-R185 VanDerWaalsContact C-N 3.26Å; I183-R185 PolarHBondContact O-N 2.97Å; I183-F186 PolarHBondContact O-N 2.99Å; I183-I187 HydrophobicContact CG2-CD1 3.89Å; I183-I187 HydrophobicContact CG2-CG1 4.15Å; I183-I187 HydrophobicContact CG2-CG2 4.18Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.78Å; I183-I212 HydrophobicContact CB-CD1 4Å; I183-I212 HydrophobicContact CD1-CD1 4.37Å; I183-I212 HydrophobicContact CG2-CD1 3.7Å
184L91.8Very high88.4Confident46 Ų4647 Ų4724%0.24123%0.232CC..Hα-helixtrans-56.8-37.3178.2-73.5170.2000112R180 E181 F186 I187 S188 I212 V216R180-L184 HydrophobicContact CG-CD1 4.07Å; R180-L184 WeakPolarHBondContact O-CB 3.34Å; R180-L184 VanDerWaalsContact O-CG 3.3Å; R180-L184 WeakPolarHBondContact O-CG 3.49Å; R180-L184 PolarHBondContact O-N 2.78Å; E181-L184 PolarHBondContact O-N 2.95Å; L184-F186 VanDerWaalsContact C-N 3.26Å; L184-F186 PolarHBondContact O-N 3.42Å; L184-I187 HydrophobicContact CD2-CD1 4.39Å; L184-I187 HydrophobicContact CD2-CG1 4.43Å; L184-I187 PolarHBondContact O-N 2.93Å; L184-S188 WeakPolarHBondContact O-CB 3.43Å; L184-S188 PolarHBondContact O-N 3.46Å; L184-S188 PolarHBondContact O-OG 3.47Å; L184-I212 HydrophobicContact CD2-CG1 4.22Å; L184-I212 HydrophobicContact CG-CD1 4.46Å; L184-V216 HydrophobicContact CD2-CG1 3.72Å
185R88.9Confident88.9Confident142 Ų14241.9 Ų41.954%0.53621%0.205SC..Hα-helixtrans-57.1-36.6174-173.5176.7178.1171.2-1.2112.6D21 E181 L182 I183D21-R185 IonicContact OD2-CZ 3.14Å; D21-R185 IonicContact OD2-NH2 3.47Å; D21-R185 PolarHBondContact OD2-NH2 3.43Å; E181-R185 PolarHBondContact O-N 2.86Å; L182-R185 WeakPolarHBondContact O-CB 3.39Å; L182-R185 PolarHBondContact O-N 3.12Å; I183-R185 VanDerWaalsContact C-N 3.26Å; I183-R185 PolarHBondContact O-N 2.97Å
186F88.3Confident89.5Confident26 Ų2641.9 Ų41.911%0.11421%0.205CC..Hα-helixtrans-86.6-38.4178.9-69.9-81.3000113.9V29 P62 V158 L160 L182 I183 L184V29-F186 HydrophobicContact CG1-CB 3.87Å; V29-F186 HydrophobicContact CG2-CB 4.16Å; P62-F186 HydrophobicContact CB-CE2 4.06Å; P62-F186 HydrophobicContact CB-CZ 3.91Å; P62-F186 HydrophobicContact CG-CE2 3.74Å; P62-F186 HydrophobicContact CG-CZ 3.94Å; V158-F186 HydrophobicContact CG1-CD1 4.22Å; V158-F186 HydrophobicContact CG1-CE1 4.27Å; L160-F186 HydrophobicContact CD1-CB 4.14Å; L160-F186 HydrophobicContact CD1-CD2 4.16Å; L160-F186 HydrophobicContact CD1-CG 4.42Å; L160-F186 HydrophobicContact CD2-CD2 3.58Å; L160-F186 HydrophobicContact CD2-CE2 3.83Å; L160-F186 HydrophobicContact CD2-CG 4.13Å; L182-F186 HydrophobicContact CD2-CD2 4.31Å; L182-F186 HydrophobicContact CD2-CE2 4.22Å; L182-F186 HydrophobicContact CG-CE2 4.38Å; L182-F186 VanDerWaalsContact O-CD2 3.24Å; L182-F186 WeakPolarHBondContact O-CD2 3.29Å; I183-F186 PolarHBondContact O-N 2.99Å; L184-F186 VanDerWaalsContact C-N 3.26Å; L184-F186 PolarHBondContact O-N 3.42Å
187I91.9Very high89.9Confident0 Ų038.4 Ų38.40%019%0.188CC..Hα-helixtrans-89.1-15.2-175.868.9169.7000115V29 V31 I183 L184 N189 I194 I212 V216 R222V29-I187 HydrophobicContact CB-CG2 4.01Å; V29-I187 HydrophobicContact CG1-CG2 3.62Å; V31-I187 HydrophobicContact CG1-CG2 3.8Å; I183-I187 HydrophobicContact CG2-CD1 3.89Å; I183-I187 HydrophobicContact CG2-CG1 4.15Å; I183-I187 HydrophobicContact CG2-CG2 4.18Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.78Å; L184-I187 HydrophobicContact CD2-CD1 4.39Å; L184-I187 HydrophobicContact CD2-CG1 4.43Å; L184-I187 PolarHBondContact O-N 2.93Å; I187-N189 PolarHBondContact O-N 2.87Å; I187-I194 HydrophobicContact CB-CD1 3.96Å; I187-I194 HydrophobicContact CB-CG1 4.08Å; I187-I194 HydrophobicContact CG2-CD1 4.43Å; I187-I194 HydrophobicContact CG2-CG1 4.1Å; I187-I194 HydrophobicContact CG2-CG2 4.25Å; I187-I212 HydrophobicContact CD1-CG1 4.1Å; I187-I212 HydrophobicContact CD1-CG2 4.42Å; I187-V216 HydrophobicContact CB-CG2 4.15Å; I187-V216 HydrophobicContact CD1-CG1 4.38Å; I187-V216 HydrophobicContact CD1-CG2 3.6Å; I187-V216 HydrophobicContact CG1-CG1 4.24Å; I187-V216 HydrophobicContact CG1-CG2 3.77Å; I187-R222 PolarHBondContact O-NH2 3.14Å
188S90.7Very high90.1Very high67 Ų6734 Ų3447%0.46917%0.166SC..SBendtrans-69-19.217158.30000112.8L184 P190L184-S188 WeakPolarHBondContact O-CB 3.43Å; L184-S188 PolarHBondContact O-N 3.46Å; L184-S188 PolarHBondContact O-OG 3.47Å; S188-P190 VanDerWaalsContact O-CD 3.27Å; S188-P190 WeakPolarHBondContact O-CD 3.39Å
189N85.2Confident90.4Very high13 Ų1331 Ų317%0.0715%0.152CC..SBendtrans-58.4117.1170.2179.6-2.2000109.7Q24 L25 I187 N191 S192Q24-N189 WeakPolarHBondContact CB-OD1 3.31Å; L25-N189 PolarHBondContact O-ND2 3.46Å; I187-N189 PolarHBondContact O-N 2.87Å; N189-N191 PolarHBondContact O-N 3.13Å; N189-N191 VanDerWaalsContact O-N 3.15Å; N189-N191 WeakPolarHBondContact OD1-CB 3.39Å; N189-N191 PolarHBondContact OD1-N 2.97Å; N189-S192 PolarHBondContact O-N 3.41Å; N189-S192 PolarHBondContact O-OG 3.45Å
190P84.3Confident90.5Very high75 Ų7531.5 Ų31.549%0.48716%0.157SC..THydrogen-bonded Turntrans-58.9-28.9178.1-24.235.4000112.8S188 S192 R222S188-P190 VanDerWaalsContact O-CD 3.27Å; S188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-S192 VanDerWaalsContact C-N 3.29Å; P190-S192 PolarHBondContact O-N 3.07Å; P190-R222 WeakPolarHBondContact O-CD 3.48Å
191N82.5Confident90.3Very high25 Ų2531.2 Ų31.213%0.13416%0.162CC..THydrogen-bonded Turntrans-84.510.6179.2-65-12.6000113.4Q24 P26 N189 H309 C313Q24-N191 PolarHBondContact O-ND2 3.49Å; P26-N191 WeakPolarHBondContact CA-O 3.49Å; N189-N191 PolarHBondContact O-N 3.13Å; N189-N191 VanDerWaalsContact O-N 3.15Å; N189-N191 WeakPolarHBondContact OD1-CB 3.39Å; N189-N191 PolarHBondContact OD1-N 2.97Å; N191-H309 WeakPolarHBondContact CA-NE2 3.48Å; N191-H309 PolarHBondContact O-NE2 3.4Å; N191-C313 PolarHBondContact OD1-SG 3.07Å
192S88.1Confident90.1Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-92.9136.9173.671.60000113.2Q27 N189 P190 R222Q27-S192 CarbonylContact O-C 3.07Å; Q27-S192 WeakPolarHBondContact O-CA 3.39Å; N189-S192 PolarHBondContact O-N 3.41Å; N189-S192 PolarHBondContact O-OG 3.45Å; P190-S192 VanDerWaalsContact C-N 3.29Å; P190-S192 PolarHBondContact O-N 3.07Å; S192-R222 WeakPolarHBondContact O-CD 3.06Å; S192-R222 WeakPolarHBondContact O-CG 3.19Å
193I91.5Very high89.8Confident5 Ų531.9 Ų31.93%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-87.6124.7163.7-65.5166.3000108.2Q27 I28 V29 R222 L252 L305 L306 H309Q27-I193 PolarHBondContact O-N 2.67Å; I28-I193 CarbonylContact C-O 3.56Å; I28-I193 WeakPolarHBondContact CA-O 3.34Å; I28-I193 HydrophobicContact CG1-CB 4.19Å; I28-I193 HydrophobicContact CG1-CD1 4.43Å; I28-I193 HydrophobicContact CG1-CG2 4.48Å; V29-I193 PolarHBondContact N-O 3.3Å; I193-R222 CarbonylContact C-O 3.22Å; I193-R222 WeakPolarHBondContact CA-O 3.36Å; I193-L252 HydrophobicContact CG2-CD1 4.16Å; I193-L305 HydrophobicContact CD1-CB 4.29Å; I193-L306 HydrophobicContact CD1-CB 4.44Å; I193-L306 HydrophobicContact CD1-CD1 4.49Å; I193-H309 HydrophobicContact CD1-CB 3.93Å; I193-H309 HydrophobicContact CG1-CB 4.48Å
194I94.8Very high89.2Confident0 Ų032.5 Ų32.50%018%0.176CC..EExtended strand (participates in β ladder)trans-95.1117.2-176.4-52.2170.9000109.4V31 I187 S213 V216 D217 R222 T223 L224V31-I194 HydrophobicContact CG1-CG2 4.34Å; V31-I194 HydrophobicContact CG2-CG2 3.56Å; I187-I194 HydrophobicContact CB-CD1 3.96Å; I187-I194 HydrophobicContact CB-CG1 4.08Å; I187-I194 HydrophobicContact CG2-CD1 4.43Å; I187-I194 HydrophobicContact CG2-CG1 4.1Å; I187-I194 HydrophobicContact CG2-CG2 4.25Å; I194-S213 WeakPolarHBondContact CG2-OG 3.2Å; I194-V216 HydrophobicContact CD1-CG2 3.62Å; I194-D217 HydrophobicContact CD1-CB 4.28Å; I194-R222 HydrophobicContact CD1-CG 4.48Å; I194-R222 PolarHBondContact N-O 3.18Å; I194-T223 HydrophobicContact CB-CG2 4.48Å; I194-T223 CarbonylContact O-C 3.58Å; I194-T223 WeakPolarHBondContact O-CA 3.13Å; I194-L224 PolarHBondContact O-N 3.31Å
195L94.8Very high88.6Confident0 Ų033.5 Ų33.50%019%0.191CC..EExtended strand (participates in β ladder)trans-9695.8176.4-164.768.9000109.9I28 V29 V30 V31 V197 L224 V226 L302I28-L195 HydrophobicContact CG2-CB 4.11Å; V29-L195 PolarHBondContact O-N 3.03Å; V30-L195 HydrophobicContact CG1-CD2 4.38Å; V30-L195 HydrophobicContact CG2-CB 4.37Å; V30-L195 HydrophobicContact CG2-CD2 4.03Å; V31-L195 PolarHBondContact N-O 3Å; L195-V197 HydrophobicContact CD2-CG2 4.4Å; L195-V197 HydrophobicContact CG-CG2 4.25Å; L195-V197 PolarHBondContact O-N 3.15Å; L195-L224 HydrophobicContact CD1-CB 4.17Å; L195-L224 HydrophobicContact CD1-CD2 3.72Å; L195-L224 HydrophobicContact CD1-CG 4.02Å; L195-V226 HydrophobicContact CD1-CG2 3.42Å; L195-V226 VanDerWaalsContact CD1-CG2 3.42Å; L195-V226 HydrophobicContact CD2-CG2 4.4Å; L195-V226 HydrophobicContact CG-CG2 3.88Å; L195-L302 HydrophobicContact CD1-CD2 3.85Å; L195-L302 HydrophobicContact CD2-CD1 4.48Å
196A94.8Very high88.4Confident0 Ų030.3 Ų30.30%019%0.187CC..EExtended strand (participates in β ladder)trans-85.394.8-175.900000111.4V31 A209 L210 T223 L224 V226V31-A196 HydrophobicContact CG2-CB 4.31Å; A196-A209 HydrophobicContact CB-CB 4.18Å; A196-L210 HydrophobicContact CB-CD2 3.71Å; A196-L210 HydrophobicContact CB-CG 4.34Å; A196-T223 HydrophobicContact CB-CG2 4.09Å; A196-L224 PolarHBondContact N-O 2.99Å; A196-V226 PolarHBondContact O-N 3.5Å
197V94.4Very high88.4Confident0 Ų029.5 Ų29.50%019%0.185CC..EExtended strand (participates in β ladder)trans-90.1111.4-175.3-173.10000111.2V30 V31 S36 K38 V41 L195 V226 T228V30-V197 HydrophobicContact CG1-CG2 3.67Å; V31-V197 PolarHBondContact O-N 3.48Å; S36-V197 WeakPolarHBondContact CB-O 3.41Å; S36-V197 PolarHBondContact OG-O 3.4Å; S36-V197 VanDerWaalsContact OG-O 3.05Å; K38-V197 HydrophobicContact CG-CB 4.06Å; K38-V197 HydrophobicContact CG-CG1 4.34Å; K38-V197 HydrophobicContact CG-CG2 4.28Å; V41-V197 HydrophobicContact CG2-CG1 4.44Å; L195-V197 HydrophobicContact CD2-CG2 4.4Å; L195-V197 HydrophobicContact CG-CG2 4.25Å; L195-V197 PolarHBondContact O-N 3.15Å; V197-V226 WeakPolarHBondContact CA-O 3.48Å; V197-V226 HydrophobicContact CG2-CB 4.34Å; V197-T228 HydrophobicContact CG1-CG2 3.64Å
198T92.8Very high88.3Confident3 Ų331.1 Ų31.12%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-123.1150.4179.5-46.40000110.4M204 S207 V226 I227 T228T198-M204 HydrophobicContact CG2-CE 3.98Å; T198-M204 HydrophobicContact CG2-SD 3.39Å; T198-M204 WeakPolarHBondContact CG2-SD 3.36Å; T198-S207 WeakPolarHBondContact CG2-OG 3.39Å; T198-S207 PolarHBondContact OG1-OG 3.34Å; T198-V226 PolarHBondContact N-O 3.33Å; T198-I227 CarbonylContact O-C 3.51Å; T198-I227 WeakPolarHBondContact O-CA 3.25Å; T198-T228 PolarHBondContact O-N 3.17Å; T198-T228 PolarHBondContact O-OG1 3.37Å
199A91.9Very high88.4Confident5 Ų528 Ų284%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-93.2137176.500000111.8N201 T202 K229A199-N201 WeakPolarHBondContact CB-OD1 3.43Å; A199-N201 PolarHBondContact O-N 3.17Å; A199-T202 PolarHBondContact O-N 3.39Å; A199-T202 VanDerWaalsContact O-N 3.13Å; A199-T202 PolarHBondContact O-OG1 3.02Å; A199-K229 HydrophobicContact CB-CD 4.01Å; A199-K229 HydrophobicContact CB-CG 4.4Å
200A90.9Very high88.7Confident13 Ų1328 Ų2811%0.10717%0.171CC..THydrogen-bonded Turntrans-64.5-23.5-176.300000114.3T202 I227 T228 L230 M233A200-T202 PolarHBondContact O-N 2.96Å; A200-I227 HydrophobicContact CB-CG2 3.64Å; A200-T228 VanDerWaalsContact CB-O 3.29Å; A200-T228 WeakPolarHBondContact CB-O 3.42Å; A200-T228 PolarHBondContact N-O 2.78Å; A200-L230 HydrophobicContact CB-CD2 3.9Å; A200-M233 HydrophobicContact CB-CG 3.68Å; A200-M233 HydrophobicContact CB-SD 3.91Å
201N88.3Confident89Confident82 Ų8228.6 Ų28.644%0.43917%0.165SC..THydrogen-bonded Turntrans-83.113.1176.977.1-49.3000113.3A199 L232A199-N201 WeakPolarHBondContact CB-OD1 3.43Å; A199-N201 PolarHBondContact O-N 3.17Å; N201-L232 WeakPolarHBondContact CB-O 3.24Å
202T85.9Confident89.5Confident69 Ų6927.5 Ų27.542%0.42316%0.16SC..SBendtrans-128.7148.8174.8600000109.6A199 A200 M204A199-T202 PolarHBondContact O-N 3.39Å; A199-T202 VanDerWaalsContact O-N 3.13Å; A199-T202 PolarHBondContact O-OG1 3.02Å; A200-T202 PolarHBondContact O-N 2.96Å; T202-M204 PolarHBondContact O-N 2.92Å
203D82.8Confident89.8Confident98 Ų9827.6 Ų27.652%0.52416%0.16SC..  trans-64.4109.9178.6177.313.4000110.9A205 T206D203-A205 PolarHBondContact O-N 2.94Å; D203-A205 WeakPolarHBondContact OD1-CB 3.27Å; D203-A205 PolarHBondContact OD1-N 3.32Å; D203-T206 HydrophobicContact CB-CG2 4.42Å; D203-T206 PolarHBondContact O-N 3.47Å; D203-T206 PolarHBondContact O-OG1 2.98Å
204M78.4Confident89.9Confident13 Ų1331.2 Ų31.26%0.06417%0.174CC..G310 helixtrans-55.2-32.1179.3-68.1-68.9-50.100112.9T198 T202 T206 S207 L210 I227 V242 I248T198-M204 HydrophobicContact CG2-CE 3.98Å; T198-M204 HydrophobicContact CG2-SD 3.39Å; T198-M204 WeakPolarHBondContact CG2-SD 3.36Å; T202-M204 PolarHBondContact O-N 2.92Å; M204-T206 PolarHBondContact O-N 3.21Å; M204-S207 VanDerWaalsContact O-CB 3.27Å; M204-S207 WeakPolarHBondContact O-CB 3.29Å; M204-S207 PolarHBondContact O-N 2.75Å; M204-L210 HydrophobicContact CE-CD1 4.04Å; M204-I227 HydrophobicContact CE-CD1 3.93Å; M204-I227 HydrophobicContact CE-CG1 3.81Å; M204-I227 HydrophobicContact SD-CD1 4.2Å; M204-I227 HydrophobicContact SD-CG1 4.11Å; M204-I227 HydrophobicContact SD-CG2 4.48Å; M204-V242 HydrophobicContact CB-CG1 4.33Å; M204-V242 HydrophobicContact CE-CG1 4.27Å; M204-V242 HydrophobicContact CG-CG1 4.06Å; M204-V242 HydrophobicContact CG-CG2 4.4Å; M204-I248 HydrophobicContact CB-CD1 3.88Å; M204-I248 WeakPolarHBondContact O-CD1 3.42Å
205A79.1Confident89.8Confident67 Ų6736.1 Ų36.155%0.55420%0.197SC*.G310 helixtrans-66-25.4177.900000112.5D203D203-A205 PolarHBondContact O-N 2.94Å; D203-A205 WeakPolarHBondContact OD1-CB 3.27Å; D203-A205 PolarHBondContact OD1-N 3.32Å
206T84.6Confident89.8Confident75 Ų7537.6 Ų37.646%0.4621%0.206SC..G310 helixtrans-93.5-0.2177.668.80000114D203 M204 E208 K211D203-T206 HydrophobicContact CB-CG2 4.42Å; D203-T206 PolarHBondContact O-N 3.47Å; D203-T206 PolarHBondContact O-OG1 2.98Å; M204-T206 PolarHBondContact O-N 3.21Å; T206-E208 PolarHBondContact O-N 3.13Å; T206-E208 VanDerWaalsContact O-N 3.17Å; T206-K211 WeakPolarHBondContact O-CE 3.37Å; T206-K211 PolarHBondContact O-NZ 2.89Å; T206-K211 VanDerWaalsContact O-NZ 3.08Å
207S88.3Confident89.7Confident9 Ų937.9 Ų37.96%0.06321%0.207CC..  trans-56.8116.4-173.6-179.60000113.3T198 M204 A209 L210 K211T198-S207 WeakPolarHBondContact CG2-OG 3.39Å; T198-S207 PolarHBondContact OG1-OG 3.34Å; M204-S207 VanDerWaalsContact O-CB 3.27Å; M204-S207 WeakPolarHBondContact O-CB 3.29Å; M204-S207 PolarHBondContact O-N 2.75Å; S207-A209 PolarHBondContact O-N 3.24Å; S207-A209 WeakPolarHBondContact OG-CB 3.49Å; S207-A209 PolarHBondContact OG-N 3.41Å; S207-L210 PolarHBondContact O-N 3.4Å; S207-L210 VanDerWaalsContact O-N 3.09Å; S207-K211 WeakPolarHBondContact O-CG 3.32Å; S207-K211 PolarHBondContact O-N 3.05Å
208E90Very high89.6Confident34 Ų3442.3 Ų42.316%0.15924%0.236CC..Hα-helixtrans-61-30.3175.1-52.6-57.1154.800112T33 M163 K165 T206 L210 K211 I212T33-E208 HydrophobicContact CG2-CB 3.91Å; T33-E208 HydrophobicContact CG2-CG 4Å; M163-E208 HydrophobicContact CE-CB 3.91Å; M163-E208 HydrophobicContact SD-CB 3.97Å; K165-E208 WeakPolarHBondContact CE-OE1 3.26Å; K165-E208 IonicContact NZ-OE1 3.13Å; K165-E208 PolarHBondContact NZ-OE1 2.78Å; T206-E208 PolarHBondContact O-N 3.13Å; T206-E208 VanDerWaalsContact O-N 3.17Å; E208-L210 VanDerWaalsContact C-N 3.32Å; E208-L210 PolarHBondContact O-N 2.83Å; E208-K211 VanDerWaalsContact CD-NZ 3.3Å; E208-K211 PolarHBondContact O-N 2.87Å; E208-K211 IonicContact OE1-NZ 3.8Å; E208-K211 PolarHBondContact OE1-NZ 3.27Å; E208-K211 VanDerWaalsContact OE2-CD 3.3Å; E208-K211 WeakPolarHBondContact OE2-CD 3.34Å; E208-K211 IonicContact OE2-NZ 3.71Å; E208-K211 PolarHBondContact OE2-NZ 2.91Å; E208-I212 WeakPolarHBondContact O-CG2 3.5Å; E208-I212 PolarHBondContact O-N 2.92Å
209A92.4Very high89.4Confident1 Ų145.8 Ų45.81%0.00825%0.254CS..Hα-helixtrans-61.4-40.7175.100000111.8A196 S207 S213A196-A209 HydrophobicContact CB-CB 4.18Å; S207-A209 PolarHBondContact O-N 3.24Å; S207-A209 WeakPolarHBondContact OG-CB 3.49Å; S207-A209 PolarHBondContact OG-N 3.41Å; A209-S213 WeakPolarHBondContact O-CB 3.43Å; A209-S213 PolarHBondContact O-N 2.77Å; A209-S213 PolarHBondContact O-OG 2.84Å
210L91.8Very high89.3Confident14 Ų1445.6 Ų45.67%0.07325%0.253CS..Hα-helixtrans-80.7-35179.5-68.5171000111.8A196 M204 S207 E208 S213 R214 A225 I248A196-L210 HydrophobicContact CB-CD2 3.71Å; A196-L210 HydrophobicContact CB-CG 4.34Å; M204-L210 HydrophobicContact CE-CD1 4.04Å; S207-L210 PolarHBondContact O-N 3.4Å; S207-L210 VanDerWaalsContact O-N 3.09Å; E208-L210 VanDerWaalsContact C-N 3.32Å; E208-L210 PolarHBondContact O-N 2.83Å; L210-S213 PolarHBondContact O-N 2.8Å; L210-R214 VanDerWaalsContact O-CG 3.26Å; L210-R214 WeakPolarHBondContact O-CG 3.11Å; L210-R214 PolarHBondContact O-N 2.91Å; L210-A225 HydrophobicContact CD2-CB 4.29Å; L210-I248 HydrophobicContact CD1-CD1 3.55Å; L210-I248 HydrophobicContact CD1-CG2 4.27Å
211K92.1Very high89.3Confident87 Ų8753.1 Ų53.138%0.37828%0.278SS..Hα-helixtrans-59.1-55.1173.4-69.1173-168.5166.20111.6T206 S207 E208 S213 R214 E215T206-K211 WeakPolarHBondContact O-CE 3.37Å; T206-K211 PolarHBondContact O-NZ 2.89Å; T206-K211 VanDerWaalsContact O-NZ 3.08Å; S207-K211 WeakPolarHBondContact O-CG 3.32Å; S207-K211 PolarHBondContact O-N 3.05Å; E208-K211 VanDerWaalsContact CD-NZ 3.3Å; E208-K211 PolarHBondContact O-N 2.87Å; E208-K211 IonicContact OE1-NZ 3.8Å; E208-K211 PolarHBondContact OE1-NZ 3.27Å; E208-K211 VanDerWaalsContact OE2-CD 3.3Å; E208-K211 WeakPolarHBondContact OE2-CD 3.34Å; E208-K211 IonicContact OE2-NZ 3.71Å; E208-K211 PolarHBondContact OE2-NZ 2.91Å; K211-S213 PolarHBondContact O-N 3.06Å; K211-R214 PolarHBondContact O-N 2.86Å; K211-E215 PolarHBondContact O-N 2.94Å; K211-E215 VanDerWaalsContact O-N 3.13Å
212I93.1Very high89.4Confident3 Ų351.2 Ų51.22%0.01527%0.265CS..Hα-helixtrans-64.3-30.6-179.6-158174.6000112M163 R180 I183 L184 I187 E208M163-I212 HydrophobicContact CE-CD1 4.36Å; M163-I212 HydrophobicContact SD-CD1 4.34Å; M163-I212 HydrophobicContact SD-CG2 4.3Å; R180-I212 HydrophobicContact CG-CD1 3.83Å; I183-I212 HydrophobicContact CB-CD1 4Å; I183-I212 HydrophobicContact CD1-CD1 4.37Å; I183-I212 HydrophobicContact CG2-CD1 3.7Å; L184-I212 HydrophobicContact CD2-CG1 4.22Å; L184-I212 HydrophobicContact CG-CD1 4.46Å; I187-I212 HydrophobicContact CD1-CG1 4.1Å; I187-I212 HydrophobicContact CD1-CG2 4.42Å; E208-I212 WeakPolarHBondContact O-CG2 3.5Å; E208-I212 PolarHBondContact O-N 2.92Å
213S94.2Very high89.8Confident2 Ų248.1 Ų48.11%0.01425%0.246CC..Hα-helixtrans-65.4-44171.4-58.20000111.8I194 A209 L210 K211 E215 V216 D217I194-S213 WeakPolarHBondContact CG2-OG 3.2Å; A209-S213 WeakPolarHBondContact O-CB 3.43Å; A209-S213 PolarHBondContact O-N 2.77Å; A209-S213 PolarHBondContact O-OG 2.84Å; L210-S213 PolarHBondContact O-N 2.8Å; K211-S213 PolarHBondContact O-N 3.06Å; S213-E215 VanDerWaalsContact C-N 3.29Å; S213-E215 PolarHBondContact O-N 3.31Å; S213-V216 WeakPolarHBondContact O-CG2 3.34Å; S213-V216 PolarHBondContact O-N 3.2Å; S213-D217 WeakPolarHBondContact O-CA 3.5Å; S213-D217 WeakPolarHBondContact O-CB 3.41Å; S213-D217 PolarHBondContact O-N 2.94Å
214R91.9Very high90.4Very high80 Ų8043.4 Ų43.430%0.30222%0.221SC..Hα-helixtrans-67.1-26179.6-70.8-74-174-170.4-5.7113.6L210 K211 V216 P218 P249L210-R214 VanDerWaalsContact O-CG 3.26Å; L210-R214 WeakPolarHBondContact O-CG 3.11Å; L210-R214 PolarHBondContact O-N 2.91Å; K211-R214 PolarHBondContact O-N 2.86Å; R214-V216 PolarHBondContact O-N 3.41Å; R214-P218 VanDerWaalsContact CD-O 3.32Å; R214-P218 WeakPolarHBondContact CD-O 3.44Å; R214-P218 PolarHBondContact NH1-O 2.88Å; R214-P218 VanDerWaalsContact O-CA 3.31Å; R214-P218 WeakPolarHBondContact O-CA 3.35Å; R214-P249 PolarHBondContact NH2-O 3.37Å
215E93.6Very high91.1Very high104 Ų10442.9 Ų42.949%0.48622%0.219SC..Hα-helixtrans-62.1-31.5173.6-69.5176.3177.900112.3R180 K211 S213R180-E215 IonicContact CZ-OE1 2.66Å; R180-E215 IonicContact CZ-OE2 2.62Å; R180-E215 IonicContact NE-OE2 2.8Å; R180-E215 IonicContact NH2-OE1 2.67Å; R180-E215 PolarHBondContact NH2-OE1 3.17Å; R180-E215 IonicContact NH2-OE2 3.26Å; R180-E215 PolarHBondContact NH2-OE2 2.99Å; K211-E215 PolarHBondContact O-N 2.94Å; K211-E215 VanDerWaalsContact O-N 3.13Å; S213-E215 VanDerWaalsContact C-N 3.29Å; S213-E215 PolarHBondContact O-N 3.31Å
216V93.9Very high91.9Very high31 Ų3139.7 Ų39.719%0.18819%0.192CC..Hα-helixtrans-112.6-14.8-179.1-59.40000114.3L184 I187 I194 S213 R214 R222L184-V216 HydrophobicContact CD2-CG1 3.72Å; I187-V216 HydrophobicContact CB-CG2 4.15Å; I187-V216 HydrophobicContact CD1-CG1 4.38Å; I187-V216 HydrophobicContact CD1-CG2 3.6Å; I187-V216 HydrophobicContact CG1-CG1 4.24Å; I187-V216 HydrophobicContact CG1-CG2 3.77Å; I194-V216 HydrophobicContact CD1-CG2 3.62Å; S213-V216 WeakPolarHBondContact O-CG2 3.34Å; S213-V216 PolarHBondContact O-N 3.2Å; R214-V216 PolarHBondContact O-N 3.41Å; V216-R222 PolarHBondContact O-NH1 3.36Å; V216-R222 PolarHBondContact O-NH2 2.93Å
217D93.9Very high92.4Very high6 Ų636.1 Ų36.13%0.03217%0.17CC..  trans-140.369179.5-174.520.9000109.9I194 S213 D219 G220 R221 R222 T223I194-D217 HydrophobicContact CD1-CB 4.28Å; S213-D217 WeakPolarHBondContact O-CA 3.5Å; S213-D217 WeakPolarHBondContact O-CB 3.41Å; S213-D217 PolarHBondContact O-N 2.94Å; D217-D219 PolarHBondContact O-N 3.18Å; D217-G220 PolarHBondContact O-N 3.39Å; D217-G220 PolarHBondContact OD1-N 3.41Å; D217-G220 WeakPolarHBondContact OD2-CA 3Å; D217-R221 VanDerWaalsContact CG-N 3.31Å; D217-R221 PolarHBondContact OD1-N 2.73Å; D217-R221 PolarHBondContact OD2-N 3.39Å; D217-R222 HydrophobicContact CB-CG 4.33Å; D217-R222 IonicContact OD1-NH1 3.44Å; D217-R222 PolarHBondContact OD2-N 3.48Å; D217-T223 WeakPolarHBondContact OD2-CB 3.49Å; D217-T223 PolarHBondContact OD2-N 2.99Å; D217-T223 PolarHBondContact OD2-OG1 3.47Å
218P91.5Very high92.6Very high92 Ų9235.8 Ų35.860%0.59717%0.168SC*.THydrogen-bonded Turntrans-60.5-33.1-173.122.8-34000112.7R214R214-P218 VanDerWaalsContact CD-O 3.32Å; R214-P218 WeakPolarHBondContact CD-O 3.44Å; R214-P218 PolarHBondContact NH1-O 2.88Å; R214-P218 VanDerWaalsContact O-CA 3.31Å; R214-P218 WeakPolarHBondContact O-CA 3.35Å
219D89Confident92.7Very high77 Ų7737 Ų3741%0.41217%0.173SC..THydrogen-bonded Turntrans-79.2-15.4176.7-77.8-19.9000113.8D217 R221D217-D219 PolarHBondContact O-N 3.18Å; D219-R221 HydrophobicContact CB-CG 3.68Å; D219-R221 IonicContact OD2-CZ 3.79Å; D219-R221 IonicContact OD2-NE 2.77Å; D219-R221 PolarHBondContact OD2-NE 3.18Å; D219-R221 IonicContact OD2-NH2 3.84Å; D219-R221 PolarHBondContact OD2-NH2 3.15Å
220G89.8Confident92.7Very high1 Ų137.1 Ų37.11%0.0117%0.173CC..  trans67.134.8-174.700000113.3D217 K251D217-G220 PolarHBondContact O-N 3.39Å; D217-G220 PolarHBondContact OD1-N 3.41Å; D217-G220 WeakPolarHBondContact OD2-CA 3Å; G220-K251 WeakPolarHBondContact O-CB 3.45Å; G220-K251 WeakPolarHBondContact O-CG 3.24Å; G220-K251 PolarHBondContact O-N 3.39Å
221R89.9Confident92.6Very high171 Ų17139.3 Ų39.365%0.64519%0.185SC*.SBendtrans-73.8-37-177-63.5179.5-166.5-168.94.8112.9D217 D219 L252D217-R221 VanDerWaalsContact CG-N 3.31Å; D217-R221 PolarHBondContact OD1-N 2.73Å; D217-R221 PolarHBondContact OD2-N 3.39Å; D219-R221 HydrophobicContact CB-CG 3.68Å; D219-R221 IonicContact OD2-CZ 3.79Å; D219-R221 IonicContact OD2-NE 2.77Å; D219-R221 PolarHBondContact OD2-NE 3.18Å; D219-R221 IonicContact OD2-NH2 3.84Å; D219-R221 PolarHBondContact OD2-NH2 3.15Å; R221-L252 WeakPolarHBondContact O-CD2 3.32Å
222R92Very high92.4Very high41 Ų4139.6 Ų39.616%0.15519%0.19CC..SBendtrans-113.14.3-177.872.4-170.1-167.5-81.1-1.5113.2I187 P190 S192 I193 I194 V216 D217I187-R222 PolarHBondContact O-NH2 3.14Å; P190-R222 WeakPolarHBondContact O-CD 3.48Å; S192-R222 WeakPolarHBondContact O-CD 3.06Å; S192-R222 WeakPolarHBondContact O-CG 3.19Å; I193-R222 CarbonylContact C-O 3.22Å; I193-R222 WeakPolarHBondContact CA-O 3.36Å; I194-R222 HydrophobicContact CD1-CG 4.48Å; I194-R222 PolarHBondContact N-O 3.18Å; V216-R222 PolarHBondContact O-NH1 3.36Å; V216-R222 PolarHBondContact O-NH2 2.93Å; D217-R222 HydrophobicContact CB-CG 4.33Å; D217-R222 IonicContact OD1-NH1 3.44Å; D217-R222 PolarHBondContact OD2-N 3.48Å
223T94.1Very high92.1Very high4 Ų441.3 Ų41.33%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-91.2135175.4-54.10000111I194 A196 D217 V250 L252I194-T223 HydrophobicContact CB-CG2 4.48Å; I194-T223 CarbonylContact O-C 3.58Å; I194-T223 WeakPolarHBondContact O-CA 3.13Å; A196-T223 HydrophobicContact CB-CG2 4.09Å; D217-T223 WeakPolarHBondContact OD2-CB 3.49Å; D217-T223 PolarHBondContact OD2-N 2.99Å; D217-T223 PolarHBondContact OD2-OG1 3.47Å; T223-V250 HydrophobicContact CG2-CG1 4.32Å; T223-V250 WeakPolarHBondContact O-CG1 3.31Å; T223-L252 VanDerWaalsContact O-CB 3.3Å; T223-L252 WeakPolarHBondContact O-CB 3.48Å; T223-L252 WeakPolarHBondContact O-CG 3.02Å
224L94.6Very high91.6Very high0 Ų047.3 Ų47.30%023%0.23CC..EExtended strand (participates in β ladder)trans-120.4125.1169.7175.266.1000108.5I194 L195 A196 L252 I255 L298 L302 L305I194-L224 PolarHBondContact O-N 3.31Å; L195-L224 HydrophobicContact CD1-CB 4.17Å; L195-L224 HydrophobicContact CD1-CD2 3.72Å; L195-L224 HydrophobicContact CD1-CG 4.02Å; A196-L224 PolarHBondContact N-O 2.99Å; L224-L252 HydrophobicContact CB-CB 4.05Å; L224-L252 HydrophobicContact CB-CD1 4.2Å; L224-L252 HydrophobicContact CD1-CB 4.05Å; L224-L252 WeakPolarHBondContact CD1-O 3.38Å; L224-I255 HydrophobicContact CD1-CD1 4.21Å; L224-I255 HydrophobicContact CD1-CG1 4.4Å; L224-I255 HydrophobicContact CD2-CD1 4.34Å; L224-L298 HydrophobicContact CD2-CD1 4.12Å; L224-L302 HydrophobicContact CD2-CD2 3.57Å; L224-L302 HydrophobicContact CD2-CG 4.44Å; L224-L305 HydrophobicContact CD2-CD1 4.13Å
225A94.3Very high90.8Very high2 Ų248.8 Ų48.82%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-89.5132.9178.800000111.4L210 V250 G253 I254 I255L210-A225 HydrophobicContact CD2-CB 4.29Å; A225-V250 HydrophobicContact CB-CG2 4.45Å; A225-G253 PolarHBondContact N-O 3.34Å; A225-I254 HydrophobicContact CB-CB 4.45Å; A225-I254 HydrophobicContact CB-CG1 4.12Å; A225-I254 HydrophobicContact CB-CG2 4.16Å; A225-I254 WeakPolarHBondContact O-CA 3.39Å; A225-I255 PolarHBondContact O-N 3.36Å
226V95.1Very high90Very high0 Ų047.7 Ų47.70%028%0.277CS..EExtended strand (participates in β ladder)trans-117.7124.6174.2178.10000109.1V41 L195 A196 V197 T198 T228 I255 V257 L298V41-V226 HydrophobicContact CG2-CG1 4.3Å; L195-V226 HydrophobicContact CD1-CG2 3.42Å; L195-V226 VanDerWaalsContact CD1-CG2 3.42Å; L195-V226 HydrophobicContact CD2-CG2 4.4Å; L195-V226 HydrophobicContact CG-CG2 3.88Å; A196-V226 PolarHBondContact O-N 3.5Å; V197-V226 WeakPolarHBondContact CA-O 3.48Å; V197-V226 HydrophobicContact CG2-CB 4.34Å; T198-V226 PolarHBondContact N-O 3.33Å; V226-T228 HydrophobicContact CG1-CG2 4.29Å; V226-I255 WeakPolarHBondContact CA-O 3.49Å; V226-V257 HydrophobicContact CG1-CB 4.47Å; V226-V257 HydrophobicContact CG1-CG2 3.97Å; V226-L298 HydrophobicContact CG1-CD2 4.33Å; V226-L298 HydrophobicContact CG2-CD1 3.9Å; V226-L298 HydrophobicContact CG2-CD2 4.22Å
227I94.1Very high89.5Confident0 Ų049.2 Ų49.20%029%0.286CS..EExtended strand (participates in β ladder)trans-106.3109.2-179.5-57.4-177.8000108.6T198 A200 M204 L230 V242 L243 I254 I255 G256 V257T198-I227 CarbonylContact O-C 3.51Å; T198-I227 WeakPolarHBondContact O-CA 3.25Å; A200-I227 HydrophobicContact CB-CG2 3.64Å; M204-I227 HydrophobicContact CE-CD1 3.93Å; M204-I227 HydrophobicContact CE-CG1 3.81Å; M204-I227 HydrophobicContact SD-CD1 4.2Å; M204-I227 HydrophobicContact SD-CG1 4.11Å; M204-I227 HydrophobicContact SD-CG2 4.48Å; I227-L230 HydrophobicContact CG2-CD2 3.73Å; I227-L230 HydrophobicContact CG2-CG 4.48Å; I227-V242 HydrophobicContact CD1-CB 4.09Å; I227-V242 HydrophobicContact CD1-CG1 3.51Å; I227-L243 HydrophobicContact CD1-CD2 4.06Å; I227-L243 HydrophobicContact CD1-CG 4.45Å; I227-I254 HydrophobicContact CD1-CG2 3.56Å; I227-I254 HydrophobicContact CG1-CG2 3.92Å; I227-I255 PolarHBondContact N-O 3.41Å; I227-G256 CarbonylContact O-C 3.59Å; I227-G256 WeakPolarHBondContact O-CA 3.42Å; I227-V257 PolarHBondContact O-N 3.26Å
228T93.8Very high88.9Confident2 Ų253 Ų531%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-93.3168.7178.466.70000111.4S36 V41 V197 T198 A200 V226 L230 V257S36-T228 WeakPolarHBondContact O-CG2 3.41Å; S36-T228 PolarHBondContact O-OG1 3.35Å; V41-T228 HydrophobicContact CG2-CG2 3.66Å; V197-T228 HydrophobicContact CG1-CG2 3.64Å; T198-T228 PolarHBondContact O-N 3.17Å; T198-T228 PolarHBondContact O-OG1 3.37Å; A200-T228 VanDerWaalsContact CB-O 3.29Å; A200-T228 WeakPolarHBondContact CB-O 3.42Å; A200-T228 PolarHBondContact N-O 2.78Å; V226-T228 HydrophobicContact CG1-CG2 4.29Å; T228-L230 VanDerWaalsContact C-N 3.34Å; T228-L230 PolarHBondContact O-N 2.95Å; T228-V257 WeakPolarHBondContact CA-O 3.27Å
229K92.2Very high88.5Confident59 Ų5948.8 Ų48.826%0.25728%0.279SS..  trans59.634.8171.6-47.7-174.5-163.2174.50115S35 A199 D231 L232 V257S35-K229 VanDerWaalsContact O-CE 3.29Å; S35-K229 WeakPolarHBondContact O-CE 3.23Å; S35-K229 PolarHBondContact O-NZ 3.12Å; A199-K229 HydrophobicContact CB-CD 4.01Å; A199-K229 HydrophobicContact CB-CG 4.4Å; K229-D231 VanDerWaalsContact CA-OD1 3.23Å; K229-D231 WeakPolarHBondContact CA-OD1 3.2Å; K229-D231 PolarHBondContact O-N 3.17Å; K229-D231 VanDerWaalsContact O-N 3.15Å; K229-L232 HydrophobicContact CB-CB 4.33Å; K229-L232 HydrophobicContact CB-CD1 4.27Å; K229-L232 HydrophobicContact CB-CG 4.35Å; K229-L232 HydrophobicContact CD-CD1 4.08Å; K229-L232 HydrophobicContact CG-CD1 4.48Å; K229-L232 PolarHBondContact O-N 3.45Å; K229-V257 PolarHBondContact N-O 3.44Å
230L91.2Very high88.4Confident3 Ų348.2 Ų48.22%0.01628%0.275CS..G310 helixtrans-59-22.6176.7-65.4169.9000113.4A200 I227 T228 M233 A239 L243 V258 F281 L282 Y286A200-L230 HydrophobicContact CB-CD2 3.9Å; I227-L230 HydrophobicContact CG2-CD2 3.73Å; I227-L230 HydrophobicContact CG2-CG 4.48Å; T228-L230 VanDerWaalsContact C-N 3.34Å; T228-L230 PolarHBondContact O-N 2.95Å; L230-M233 HydrophobicContact CD2-SD 4.45Å; L230-A239 HydrophobicContact CD2-CB 3.9Å; L230-L243 HydrophobicContact CD2-CD1 4.43Å; L230-V258 HydrophobicContact CB-CG2 3.94Å; L230-V258 HydrophobicContact CD1-CG2 4.36Å; L230-F281 HydrophobicContact CB-CE1 3.85Å; L230-F281 HydrophobicContact CB-CZ 4.3Å; L230-F281 WeakPolarHBondContact O-CZ 3.16Å; L230-L282 HydrophobicContact CD1-CD2 4.1Å; L230-Y286 HydrophobicContact CB-CE2 4.49Å
231D90Very high88.2Confident60 Ų6051.9 Ų51.932%0.32129%0.294SS..G310 helixtrans-72.7-23.5174.958.1-60.2000113.7K229 V258 F281K229-D231 VanDerWaalsContact CA-OD1 3.23Å; K229-D231 WeakPolarHBondContact CA-OD1 3.2Å; K229-D231 PolarHBondContact O-N 3.17Å; K229-D231 VanDerWaalsContact O-N 3.15Å; D231-V258 HydrophobicContact CB-CG1 4.2Å; D231-F281 HydrophobicContact CB-CD2 4.49Å; D231-F281 HydrophobicContact CB-CE2 4.08Å; D231-F281 HydrophobicContact CB-CZ 4.29Å
232L88.5Confident88.1Confident94 Ų9444.8 Ų44.849%0.49227%0.27SS..G310 helixtrans-100.119.3-179.2-54.4-175.6000113.4N201 K229N201-L232 WeakPolarHBondContact CB-O 3.24Å; K229-L232 HydrophobicContact CB-CB 4.33Å; K229-L232 HydrophobicContact CB-CD1 4.27Å; K229-L232 HydrophobicContact CB-CG 4.35Å; K229-L232 HydrophobicContact CD-CD1 4.08Å; K229-L232 HydrophobicContact CG-CD1 4.48Å; K229-L232 PolarHBondContact O-N 3.45Å
233M87Confident87.9Confident38 Ų3843.7 Ų43.719%0.18727%0.267CS..SBendtrans-74.8146172.5-66.9-168.772.800111.4A200 L230 D238 A239A200-M233 HydrophobicContact CB-CG 3.68Å; A200-M233 HydrophobicContact CB-SD 3.91Å; L230-M233 HydrophobicContact CD2-SD 4.45Å; M233-D238 VanDerWaalsContact CE-C 3.43Å; M233-A239 HydrophobicContact CE-CB 4.02Å; M233-A239 HydrophobicContact SD-CB 3.69Å
234D83.3Confident87.5Confident128 Ų12847.2 Ų47.268%0.68428%0.284SS*.PPolyproline II helixtrans-58.9138.2179.5-69-40.7000111.8G236 T237D234-G236 PolarHBondContact O-N 3.39Å; D234-G236 VanDerWaalsContact O-N 3.13Å; D234-T237 HydrophobicContact CB-CG2 4.1Å; D234-T237 PolarHBondContact N-OG1 3.49Å; D234-T237 WeakPolarHBondContact O-CB 3.34Å; D234-T237 PolarHBondContact O-N 2.83Å; D234-T237 PolarHBondContact O-OG1 3.38Å
235A75.4Confident87Confident112 Ų11248.6 Ų48.693%0.92630%0.298SS*.THydrogen-bonded Turntrans-61.5116.8-178.300000111.1
236G77Confident86.7Confident81 Ų8156.6 Ų56.684%0.83533%0.328SS*.THydrogen-bonded Turntrans106.6-12.5-173.500000114D234D234-G236 PolarHBondContact O-N 3.39Å; D234-G236 VanDerWaalsContact O-N 3.13Å
237T82.6Confident86.1Confident62 Ų6260.3 Ų60.338%0.3835%0.35SS..  trans-95.8160.4169.870.20000111.7D234 K285D234-T237 HydrophobicContact CB-CG2 4.1Å; D234-T237 PolarHBondContact N-OG1 3.49Å; D234-T237 WeakPolarHBondContact O-CB 3.34Å; D234-T237 PolarHBondContact O-N 2.83Å; D234-T237 PolarHBondContact O-OG1 3.38Å; T237-K285 PolarHBondContact O-NZ 3.26Å
238D82.4Confident85.5Confident85 Ų8561.2 Ų61.246%0.45536%0.355SS..  trans-151.1158.2170.378.964.6000111.1M233 M240 Y286M233-D238 VanDerWaalsContact CE-C 3.43Å; D238-M240 WeakPolarHBondContact OD1-CA 3.5Å; D238-M240 WeakPolarHBondContact OD1-CB 3.45Å; D238-M240 PolarHBondContact OD1-N 2.83Å; D238-Y286 WeakPolarHBondContact CA-OH 3.35Å; D238-Y286 HydrophobicContact CB-CE1 3.94Å
239A83Confident84.8Confident4 Ų465.4 Ų65.43%0.03338%0.382CS..  trans-95.917.1-178.700000112.9L230 M233 D241 V242 L243 Y286L230-A239 HydrophobicContact CD2-CB 3.9Å; M233-A239 HydrophobicContact CE-CB 4.02Å; M233-A239 HydrophobicContact SD-CB 3.69Å; A239-D241 PolarHBondContact O-N 3.36Å; A239-V242 PolarHBondContact O-N 2.79Å; A239-V242 VanDerWaalsContact O-N 3.14Å; A239-L243 HydrophobicContact CB-CD1 4.2Å; A239-L243 HydrophobicContact CB-CG 4.35Å; A239-L243 WeakPolarHBondContact O-CB 3.13Å; A239-L243 WeakPolarHBondContact O-CG 3.41Å; A239-L243 PolarHBondContact O-N 3.27Å; A239-Y286 PolarHBondContact N-OH 3.25Å
240M85.8Confident84.7Confident65 Ų6563.4 Ų63.432%0.3238%0.375SS..Hα-helixtrans-66.8-39.6-168.3-166.5158.776.800112.5D238 V242 L243 M244 Y286 L289D238-M240 WeakPolarHBondContact OD1-CA 3.5Å; D238-M240 WeakPolarHBondContact OD1-CB 3.45Å; D238-M240 PolarHBondContact OD1-N 2.83Å; M240-V242 VanDerWaalsContact C-N 3.29Å; M240-V242 PolarHBondContact O-N 2.94Å; M240-L243 PolarHBondContact O-N 3.41Å; M240-M244 HydrophobicContact CE-CE 4.21Å; M240-M244 HydrophobicContact CG-CE 3.63Å; M240-M244 HydrophobicContact CG-CG 4.34Å; M240-M244 HydrophobicContact CG-SD 4.15Å; M240-M244 VanDerWaalsContact O-CB 3.31Å; M240-M244 WeakPolarHBondContact O-CB 3.26Å; M240-M244 VanDerWaalsContact O-CG 3.27Å; M240-M244 WeakPolarHBondContact O-CG 3.48Å; M240-M244 PolarHBondContact O-N 3Å; M240-M244 HydrophobicContact SD-CE 3.76Å; M240-Y286 HydrophobicContact CB-CE1 4.38Å; M240-L289 HydrophobicContact CG-CD1 3.92Å; M240-L289 HydrophobicContact SD-CD1 4.49Å
241D86.2Confident84.6Confident79 Ų7970.6 Ų70.642%0.42241%0.406SS..Hα-helixtrans-65.2-32.4174.2-77-35000112.8A239 G245 R246 V247A239-D241 PolarHBondContact O-N 3.36Å; D241-G245 PolarHBondContact O-N 2.86Å; D241-R246 HydrophobicContact CB-CB 4.46Å; D241-R246 WeakPolarHBondContact O-CB 3.4Å; D241-R246 PolarHBondContact O-N 3.47Å; D241-R246 WeakPolarHBondContact OD1-CD 3.3Å; D241-R246 IonicContact OD1-CZ 2.68Å; D241-R246 IonicContact OD1-NE 3.33Å; D241-R246 IonicContact OD1-NH1 3.36Å; D241-R246 PolarHBondContact OD1-NH1 2.87Å; D241-V247 HydrophobicContact CB-CG2 3.93Å
242V86.8Confident84.6Confident22 Ų2270 Ų7013%0.13340%0.403CS..Hα-helixtrans-71.8-50.2174.1-166.30000109.9M204 I227 A239 M240 M244 G245 V247 I254M204-V242 HydrophobicContact CB-CG1 4.33Å; M204-V242 HydrophobicContact CE-CG1 4.27Å; M204-V242 HydrophobicContact CG-CG1 4.06Å; M204-V242 HydrophobicContact CG-CG2 4.4Å; I227-V242 HydrophobicContact CD1-CB 4.09Å; I227-V242 HydrophobicContact CD1-CG1 3.51Å; A239-V242 PolarHBondContact O-N 2.79Å; A239-V242 VanDerWaalsContact O-N 3.14Å; M240-V242 VanDerWaalsContact C-N 3.29Å; M240-V242 PolarHBondContact O-N 2.94Å; V242-M244 VanDerWaalsContact C-N 3.26Å; V242-M244 PolarHBondContact O-N 3.13Å; V242-G245 WeakPolarHBondContact O-CA 3.4Å; V242-G245 PolarHBondContact O-N 3.4Å; V242-V247 HydrophobicContact CG2-CB 4.32Å; V242-V247 HydrophobicContact CG2-CG2 4.04Å; V242-I254 WeakPolarHBondContact O-CD1 3.28Å
243L88.3Confident84.8Confident17 Ų1766.8 Ų66.89%0.08939%0.392CS..Hα-helixtrans-63.1-28.8179.7-69.1167000113I227 L230 A239 M240 G245 I254 L289I227-L243 HydrophobicContact CD1-CD2 4.06Å; I227-L243 HydrophobicContact CD1-CG 4.45Å; L230-L243 HydrophobicContact CD2-CD1 4.43Å; A239-L243 HydrophobicContact CB-CD1 4.2Å; A239-L243 HydrophobicContact CB-CG 4.35Å; A239-L243 WeakPolarHBondContact O-CB 3.13Å; A239-L243 WeakPolarHBondContact O-CG 3.41Å; A239-L243 PolarHBondContact O-N 3.27Å; M240-L243 PolarHBondContact O-N 3.41Å; L243-G245 VanDerWaalsContact C-N 3.26Å; L243-G245 PolarHBondContact O-N 2.92Å; L243-I254 HydrophobicContact CD2-CG2 4.21Å; L243-L289 HydrophobicContact CB-CD1 3.89Å; L243-L289 HydrophobicContact CD1-CD1 4.34Å
244M86.8Confident85.1Confident79 Ų7966 Ų6639%0.38939%0.388SS..THydrogen-bonded Turntrans-79.7-1.6171.8-70.9-173.9-179.900113.8M240 V242 R246 L289M240-M244 HydrophobicContact CE-CE 4.21Å; M240-M244 HydrophobicContact CG-CE 3.63Å; M240-M244 HydrophobicContact CG-CG 4.34Å; M240-M244 HydrophobicContact CG-SD 4.15Å; M240-M244 VanDerWaalsContact O-CB 3.31Å; M240-M244 WeakPolarHBondContact O-CB 3.26Å; M240-M244 VanDerWaalsContact O-CG 3.27Å; M240-M244 WeakPolarHBondContact O-CG 3.48Å; M240-M244 PolarHBondContact O-N 3Å; M240-M244 HydrophobicContact SD-CE 3.76Å; V242-M244 VanDerWaalsContact C-N 3.26Å; V242-M244 PolarHBondContact O-N 3.13Å; M244-R246 VanDerWaalsContact C-N 3.32Å; M244-R246 HydrophobicContact CB-CG 4.28Å; M244-R246 PolarHBondContact O-N 3.24Å; M244-L289 HydrophobicContact CE-CD1 4.39Å; M244-L289 HydrophobicContact CE-CD2 4.34Å; M244-L289 HydrophobicContact CG-CD1 4.39Å
245G84.2Confident85.7Confident28 Ų2860.1 Ų60.129%0.28936%0.357SS..THydrogen-bonded Turntrans73.717178.400000115D241 V242 L243D241-G245 PolarHBondContact O-N 2.86Å; V242-G245 WeakPolarHBondContact O-CA 3.4Å; V242-G245 PolarHBondContact O-N 3.4Å; L243-G245 VanDerWaalsContact C-N 3.26Å; L243-G245 PolarHBondContact O-N 2.92Å
246R86.4Confident86.6Confident171 Ų17154.8 Ų54.865%0.64531%0.313SS*.SBendtrans-75.6-37.8179.7-63.9169.8174.7176.7-2.1112.1D241 M244D241-R246 HydrophobicContact CB-CB 4.46Å; D241-R246 WeakPolarHBondContact O-CB 3.4Å; D241-R246 PolarHBondContact O-N 3.47Å; D241-R246 WeakPolarHBondContact OD1-CD 3.3Å; D241-R246 IonicContact OD1-CZ 2.68Å; D241-R246 IonicContact OD1-NE 3.33Å; D241-R246 IonicContact OD1-NH1 3.36Å; D241-R246 PolarHBondContact OD1-NH1 2.87Å; M244-R246 VanDerWaalsContact C-N 3.32Å; M244-R246 HydrophobicContact CB-CG 4.28Å; M244-R246 PolarHBondContact O-N 3.24Å
247V83.3Confident87.4Confident77 Ų7750.9 Ų50.947%0.46727%0.273SS..SBendtrans-82-44-178.3-173.10000111.8D241 V242D241-V247 HydrophobicContact CB-CG2 3.93Å; V242-V247 HydrophobicContact CG2-CB 4.32Å; V242-V247 HydrophobicContact CG2-CG2 4.04Å
248I81.5Confident87.9Confident19 Ų1948.8 Ų48.810%0.09726%0.26CS..SBendtrans-131.6104.8-176.7-50.2-173.7000109.3M204 L210 V250 I254M204-I248 HydrophobicContact CB-CD1 3.88Å; M204-I248 WeakPolarHBondContact O-CD1 3.42Å; L210-I248 HydrophobicContact CD1-CD1 3.55Å; L210-I248 HydrophobicContact CD1-CG2 4.27Å; I248-V250 HydrophobicContact CG2-CG2 3.95Å; I248-V250 PolarHBondContact O-N 3.13Å; I248-I254 WeakPolarHBondContact O-CD1 3.47Å
249P79.6Confident88.3Confident91 Ų9146 Ų4659%0.59125%0.245SC*.  trans-77.9108.7-179.628.9-33000111R214R214-P249 PolarHBondContact NH2-O 3.37Å
250V88.4Confident88.6Confident17 Ų1747 Ų4710%0.10325%0.248CC..  trans-119.5130.7176.8-177.50000108.8T223 A225 I248 G253T223-V250 HydrophobicContact CG2-CG1 4.32Å; T223-V250 WeakPolarHBondContact O-CG1 3.31Å; A225-V250 HydrophobicContact CB-CG2 4.45Å; I248-V250 HydrophobicContact CG2-CG2 3.95Å; I248-V250 PolarHBondContact O-N 3.13Å; V250-G253 PolarHBondContact O-N 3.14Å
251K89.3Confident88.6Confident154 Ų15445.8 Ų45.867%0.6725%0.246SC*.THydrogen-bonded Turntrans-72.7-32.7-167.6-57.9-65.8-175178.50113.7G220 G253G220-K251 WeakPolarHBondContact O-CB 3.45Å; G220-K251 WeakPolarHBondContact O-CG 3.24Å; G220-K251 PolarHBondContact O-N 3.39Å; K251-G253 PolarHBondContact O-N 3.29Å
252L90.8Very high88.5Confident47 Ų4747.9 Ų47.925%0.24625%0.253CS..THydrogen-bonded Turntrans-78.3-5.1175.2-53.5-173.9000113.1I193 R221 T223 L224 L305I193-L252 HydrophobicContact CG2-CD1 4.16Å; R221-L252 WeakPolarHBondContact O-CD2 3.32Å; T223-L252 VanDerWaalsContact O-CB 3.3Å; T223-L252 WeakPolarHBondContact O-CB 3.48Å; T223-L252 WeakPolarHBondContact O-CG 3.02Å; L224-L252 HydrophobicContact CB-CB 4.05Å; L224-L252 HydrophobicContact CB-CD1 4.2Å; L224-L252 HydrophobicContact CD1-CB 4.05Å; L224-L252 WeakPolarHBondContact CD1-O 3.38Å; L252-L305 HydrophobicContact CB-CD1 4.24Å; L252-L305 HydrophobicContact CD1-CD1 4.26Å; L252-L305 HydrophobicContact CD2-CD2 4Å
253G92.3Very high88.4Confident27 Ų2752.7 Ų52.728%0.27828%0.278SS..  trans92.3-167.2-178.500000113.8A225 V250 K251A225-G253 PolarHBondContact N-O 3.34Å; V250-G253 PolarHBondContact O-N 3.14Å; K251-G253 PolarHBondContact O-N 3.29Å
254I94.1Very high88.3Confident20 Ų2053.8 Ų53.810%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-142.7128.7-171.7-53.4174.6000107A225 I227 V242 L243 I248A225-I254 HydrophobicContact CB-CB 4.45Å; A225-I254 HydrophobicContact CB-CG1 4.12Å; A225-I254 HydrophobicContact CB-CG2 4.16Å; A225-I254 WeakPolarHBondContact O-CA 3.39Å; I227-I254 HydrophobicContact CD1-CG2 3.56Å; I227-I254 HydrophobicContact CG1-CG2 3.92Å; V242-I254 WeakPolarHBondContact O-CD1 3.28Å; L243-I254 HydrophobicContact CD2-CG2 4.21Å; I248-I254 WeakPolarHBondContact O-CD1 3.47Å
255I95.3Very high88.1Confident5 Ų551.6 Ų51.63%0.02627%0.273CS..EExtended strand (participates in β ladder)trans-126.4122.9-175.3-59.1175.4000109.7L224 A225 V226 I227 V257 Y297 L298 T301L224-I255 HydrophobicContact CD1-CD1 4.21Å; L224-I255 HydrophobicContact CD1-CG1 4.4Å; L224-I255 HydrophobicContact CD2-CD1 4.34Å; A225-I255 PolarHBondContact O-N 3.36Å; V226-I255 WeakPolarHBondContact CA-O 3.49Å; I227-I255 PolarHBondContact N-O 3.41Å; I255-V257 HydrophobicContact CG2-CG2 4.48Å; I255-Y297 HydrophobicContact CD1-CD1 3.91Å; I255-Y297 HydrophobicContact CD1-CE1 3.91Å; I255-Y297 HydrophobicContact CG1-CD1 4.23Å; I255-Y297 HydrophobicContact CG1-CE1 4.17Å; I255-Y297 HydrophobicContact CG2-CD1 4.25Å; I255-L298 HydrophobicContact CB-CD1 4.33Å; I255-L298 HydrophobicContact CD1-CD1 3.78Å; I255-L298 HydrophobicContact CG2-CB 4.08Å; I255-L298 HydrophobicContact CG2-CD1 4.31Å; I255-T301 HydrophobicContact CD1-CG2 3.95Å
256G94.3Very high88.1Confident0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-83137.8174.200000112.4I227 N293 G294I227-G256 CarbonylContact O-C 3.59Å; I227-G256 WeakPolarHBondContact O-CA 3.42Å; G256-N293 PolarHBondContact N-OD1 3.13Å; G256-G294 PolarHBondContact O-N 2.8Å
257V94.7Very high88.2Confident0 Ų053.2 Ų53.20%029%0.288CS..  trans-135.7138.2-179.4176.20000109.9V41 V226 I227 T228 K229 I255 E278 L298V41-V257 HydrophobicContact CG2-CG1 4.48Å; V226-V257 HydrophobicContact CG1-CB 4.47Å; V226-V257 HydrophobicContact CG1-CG2 3.97Å; I227-V257 PolarHBondContact O-N 3.26Å; T228-V257 WeakPolarHBondContact CA-O 3.27Å; K229-V257 PolarHBondContact N-O 3.44Å; I255-V257 HydrophobicContact CG2-CG2 4.48Å; V257-E278 WeakPolarHBondContact CA-OE1 3.24Å; V257-E278 WeakPolarHBondContact CG1-OE1 3.41Å; V257-L298 HydrophobicContact CG2-CD2 3.95Å
258V93.4Very high88.3Confident17 Ų1758.3 Ų58.310%0.10330%0.304CS..  trans-113.3129.8169.61770000108.4L230 D231 E278 F281L230-V258 HydrophobicContact CB-CG2 3.94Å; L230-V258 HydrophobicContact CD1-CG2 4.36Å; D231-V258 HydrophobicContact CB-CG1 4.2Å; V258-E278 HydrophobicContact CB-CB 4.16Å; V258-E278 HydrophobicContact CB-CG 4.08Å; V258-E278 PolarHBondContact N-OE1 3.26Å; V258-F281 HydrophobicContact CG2-CD1 3.64Å; V258-F281 HydrophobicContact CG2-CE1 3.88Å; V258-F281 HydrophobicContact CG2-CG 4.36Å
259N90.3Very high88.6Confident28 Ų2859.9 Ų59.915%0.1531%0.31CS..  trans-126.6166.9-174.5-101.2-38.4000110.3S40 V41 S44 S261S40-N259 VanDerWaalsContact C-ND2 3.26Å; S40-N259 PolarHBondContact O-ND2 3.41Å; S40-N259 PolarHBondContact O-OD1 3.25Å; V41-N259 PolarHBondContact N-ND2 3.22Å; S44-N259 WeakPolarHBondContact CB-OD1 3.28Å; N259-S261 PolarHBondContact O-N 3.23Å
260R88.5Confident89Confident24 Ų2457.7 Ų57.79%0.09130%0.297CS..  trans-56.1133.3177.1-76.5176.6-72.3167.47.5111.7D49 D264 I265 K269 V271 S274D49-R260 IonicContact OD1-CZ 2.68Å; D49-R260 IonicContact OD1-NH1 2.71Å; D49-R260 PolarHBondContact OD1-NH1 3.23Å; D49-R260 IonicContact OD1-NH2 3.47Å; D49-R260 PolarHBondContact OD1-NH2 3.46Å; D49-R260 IonicContact OD2-CZ 3.5Å; D49-R260 IonicContact OD2-NH1 3.09Å; D49-R260 PolarHBondContact OD2-NH1 2.82Å; D49-R260 IonicContact OD2-NH2 3.46Å; R260-D264 HydrophobicContact CB-CB 3.79Å; R260-D264 HydrophobicContact CG-CB 3.87Å; R260-I265 HydrophobicContact CB-CG1 3.97Å; R260-K269 VanDerWaalsContact CD-O 3.23Å; R260-K269 WeakPolarHBondContact CD-O 3.44Å; R260-K269 HydrophobicContact CG-CD 4.46Å; R260-K269 PolarHBondContact NH1-O 3.26Å; R260-V271 VanDerWaalsContact NH2-CG2 3.31Å; R260-S274 WeakPolarHBondContact CD-OG 3.39Å; R260-S274 WeakPolarHBondContact CG-OG 3.39Å
261S86.3Confident88.7Confident39 Ų3957.4 Ų57.427%0.27330%0.295SS..  trans-71.2167.8166.973.80000110.9N259 L263 D264 I265N259-S261 PolarHBondContact O-N 3.23Å; S261-L263 PolarHBondContact O-N 3.08Å; S261-L263 PolarHBondContact OG-N 3.14Å; S261-D264 VanDerWaalsContact CB-OD2 3.26Å; S261-D264 WeakPolarHBondContact CB-OD2 3.26Å; S261-D264 PolarHBondContact N-OD2 2.95Å; S261-D264 PolarHBondContact O-N 2.92Å; S261-D264 VanDerWaalsContact O-N 3.14Å; S261-D264 PolarHBondContact OG-N 3.35Å; S261-D264 PolarHBondContact OG-OD2 3.48Å; S261-I265 WeakPolarHBondContact O-CG1 3.39Å; S261-I265 PolarHBondContact O-N 3.41Å
262Q83.1Confident88.5Confident124 Ų12454.8 Ų54.858%0.57929%0.292SS*.Hα-helixtrans-59.7-30.2174.2-169.560.253.200112.4N266Q262-N266 PolarHBondContact NE2-OD1 3.17Å; Q262-N266 WeakPolarHBondContact O-CB 3.24Å; Q262-N266 PolarHBondContact O-N 3Å; Q262-N266 PolarHBondContact O-OD1 3.14Å; Q262-N266 VanDerWaalsContact O-OD1 3.1Å
263L84.9Confident88.4Confident123 Ų12355.4 Ų55.464%0.64430%0.295SS*.Hα-helixtrans-70.5-43.2175.3-67.6171000111.5S261 I265 N266 N267S261-L263 PolarHBondContact O-N 3.08Å; S261-L263 PolarHBondContact OG-N 3.14Å; L263-I265 VanDerWaalsContact C-N 3.28Å; L263-I265 PolarHBondContact O-N 3.01Å; L263-N266 PolarHBondContact O-N 3.48Å; L263-N267 WeakPolarHBondContact O-CB 3.49Å; L263-N267 PolarHBondContact O-N 2.79Å; L263-N267 PolarHBondContact O-ND2 3.49Å
264D86.8Confident88.3Confident40 Ų4054.6 Ų54.621%0.21429%0.286CS..Hα-helixtrans-61.2-37.5174.3-63.2-73.8000111.9R260 S261 N267 K268 K269R260-D264 HydrophobicContact CB-CB 3.79Å; R260-D264 HydrophobicContact CG-CB 3.87Å; S261-D264 VanDerWaalsContact CB-OD2 3.26Å; S261-D264 WeakPolarHBondContact CB-OD2 3.26Å; S261-D264 PolarHBondContact N-OD2 2.95Å; S261-D264 PolarHBondContact O-N 2.92Å; S261-D264 VanDerWaalsContact O-N 3.14Å; S261-D264 PolarHBondContact OG-N 3.35Å; S261-D264 PolarHBondContact OG-OD2 3.48Å; D264-N267 CarbonylContact O-C 3.52Å; D264-N267 PolarHBondContact O-N 2.97Å; D264-K268 PolarHBondContact O-N 3.27Å; D264-K269 HydrophobicContact CB-CB 4.03Å; D264-K269 HydrophobicContact CB-CD 3.77Å; D264-K269 WeakPolarHBondContact O-CB 3.34Å; D264-K269 PolarHBondContact O-N 3.4Å; D264-K269 WeakPolarHBondContact OD1-CD 3.27Å; D264-K269 IonicContact OD1-NZ 3.39Å; D264-K269 PolarHBondContact OD1-NZ 3.19Å
265I83Confident87.9Confident32 Ų3255.2 Ų55.216%0.16429%0.289CS..Hα-helixtrans-64.8-49175.5-68.9169.3000110.6R260 S261 L263 N267 K268R260-I265 HydrophobicContact CB-CG1 3.97Å; S261-I265 WeakPolarHBondContact O-CG1 3.39Å; S261-I265 PolarHBondContact O-N 3.41Å; L263-I265 VanDerWaalsContact C-N 3.28Å; L263-I265 PolarHBondContact O-N 3.01Å; I265-N267 PolarHBondContact O-N 3.2Å; I265-K268 WeakPolarHBondContact O-CA 3.46Å; I265-K268 PolarHBondContact O-N 2.89Å
266N84.3Confident87.7Confident105 Ų10562.2 Ų62.256%0.56132%0.315SS*.Hα-helixtrans-61.1-35.6177.8-66.4-0.8000111.6Q262 L263 K268Q262-N266 PolarHBondContact NE2-OD1 3.17Å; Q262-N266 WeakPolarHBondContact O-CB 3.24Å; Q262-N266 PolarHBondContact O-N 3Å; Q262-N266 PolarHBondContact O-OD1 3.14Å; Q262-N266 VanDerWaalsContact O-OD1 3.1Å; L263-N266 PolarHBondContact O-N 3.48Å; N266-K268 PolarHBondContact O-N 2.92Å
267N88.8Confident87.5Confident128 Ų12865.8 Ų65.868%0.68433%0.334SS*.THydrogen-bonded Turntrans-78.95174.9-66.5-20.6000113.9L263 D264 I265 K269L263-N267 WeakPolarHBondContact O-CB 3.49Å; L263-N267 PolarHBondContact O-N 2.79Å; L263-N267 PolarHBondContact O-ND2 3.49Å; D264-N267 CarbonylContact O-C 3.52Å; D264-N267 PolarHBondContact O-N 2.97Å; I265-N267 PolarHBondContact O-N 3.2Å; N267-K269 PolarHBondContact O-N 3.01Å
268K84.9Confident87.5Confident184 Ų18466 Ų6680%0.834%0.335SS*.THydrogen-bonded Turntrans51.336.6-178-60.7-167.6175.6-167.40114.4D264 I265 N266 S270D264-K268 PolarHBondContact O-N 3.27Å; I265-K268 WeakPolarHBondContact O-CA 3.46Å; I265-K268 PolarHBondContact O-N 2.89Å; N266-K268 PolarHBondContact O-N 2.92Å; K268-S270 PolarHBondContact O-N 3.45Å
269K87.7Confident87.4Confident53 Ų5371.7 Ų71.723%0.2336%0.356CS..  trans-58.5133176.1-172.7178.2-173.1176.30110.6R260 D264 N267 D273 D277R260-K269 VanDerWaalsContact CD-O 3.23Å; R260-K269 WeakPolarHBondContact CD-O 3.44Å; R260-K269 HydrophobicContact CG-CD 4.46Å; R260-K269 PolarHBondContact NH1-O 3.26Å; D264-K269 HydrophobicContact CB-CB 4.03Å; D264-K269 HydrophobicContact CB-CD 3.77Å; D264-K269 WeakPolarHBondContact O-CB 3.34Å; D264-K269 PolarHBondContact O-N 3.4Å; D264-K269 WeakPolarHBondContact OD1-CD 3.27Å; D264-K269 IonicContact OD1-NZ 3.39Å; D264-K269 PolarHBondContact OD1-NZ 3.19Å; N267-K269 PolarHBondContact O-N 3.01Å; K269-D273 HydrophobicContact CG-CB 4.49Å; K269-D277 WeakPolarHBondContact CE-OD2 3.4Å; K269-D277 IonicContact NZ-OD2 3.58Å; K269-D277 PolarHBondContact NZ-OD2 2.8Å
270S86.9Confident87.6Confident44 Ų4473.1 Ų73.131%0.30837%0.371SS..  trans-67.5151.9-17988.60000111.7K268 T272 D273 S274K268-S270 PolarHBondContact O-N 3.45Å; S270-T272 VanDerWaalsContact C-N 3.27Å; S270-T272 PolarHBondContact O-N 2.76Å; S270-T272 PolarHBondContact OG-N 3.31Å; S270-D273 WeakPolarHBondContact CB-OD2 3.27Å; S270-D273 PolarHBondContact O-N 2.78Å; S270-D273 PolarHBondContact OG-N 2.89Å; S270-D273 PolarHBondContact OG-OD2 3.42Å; S270-S274 WeakPolarHBondContact O-CB 3.34Å; S270-S274 PolarHBondContact O-N 3.28Å; S270-S274 VanDerWaalsContact O-N 3.1Å; S270-S274 PolarHBondContact O-OG 2.98Å
271V83.1Confident87.8Confident11 Ų1174.6 Ų74.67%0.06738%0.378CS..Hα-helixtrans-63.6-37.4174-179.80000110.3G47 R260 D273 S274 I275G47-V271 WeakPolarHBondContact O-CB 3.49Å; G47-V271 WeakPolarHBondContact O-CG2 3.01Å; R260-V271 VanDerWaalsContact NH2-CG2 3.31Å; V271-D273 PolarHBondContact O-N 2.89Å; V271-S274 WeakPolarHBondContact O-CB 3.31Å; V271-S274 PolarHBondContact O-N 3.14Å; V271-S274 VanDerWaalsContact O-N 3.17Å; V271-I275 HydrophobicContact CG1-CD1 3.87Å; V271-I275 HydrophobicContact CG1-CG1 4.37Å; V271-I275 WeakPolarHBondContact O-CG1 3.37Å; V271-I275 PolarHBondContact O-N 3.44Å
272T84.4Confident88.1Confident99 Ų9972.9 Ų72.961%0.60737%0.366SS*.Hα-helixtrans-60.2-45.4178-50.30000112.8S270 S274 I275 R276S270-T272 VanDerWaalsContact C-N 3.27Å; S270-T272 PolarHBondContact O-N 2.76Å; S270-T272 PolarHBondContact OG-N 3.31Å; T272-S274 VanDerWaalsContact C-N 3.32Å; T272-I275 PolarHBondContact O-N 2.97Å; T272-R276 PolarHBondContact O-N 3.28Å; T272-R276 VanDerWaalsContact O-N 3.17Å
273D89.2Confident88.6Confident60 Ų6070.1 Ų70.132%0.32135%0.353SS..Hα-helixtrans-68.8-35.3176.1-61.9-53.2000111.1K269 S270 V271 I275 R276 D277K269-D273 HydrophobicContact CG-CB 4.49Å; S270-D273 WeakPolarHBondContact CB-OD2 3.27Å; S270-D273 PolarHBondContact O-N 2.78Å; S270-D273 PolarHBondContact OG-N 2.89Å; S270-D273 PolarHBondContact OG-OD2 3.42Å; V271-D273 PolarHBondContact O-N 2.89Å; D273-I275 PolarHBondContact O-N 3.29Å; D273-R276 WeakPolarHBondContact O-CB 3.38Å; D273-R276 PolarHBondContact O-N 3.38Å; D273-R276 VanDerWaalsContact O-N 3.12Å; D273-R276 IonicContact OD1-CZ 2.79Å; D273-R276 IonicContact OD1-NH1 3.31Å; D273-R276 PolarHBondContact OD1-NH1 2.87Å; D273-R276 IonicContact OD1-NH2 2.74Å; D273-D277 PolarHBondContact O-N 2.83Å
274S89.5Confident88.9Confident11 Ų1173.2 Ų73.28%0.07736%0.361CS..Hα-helixtrans-65.1-37.4176.8-52.80000112.6R260 S270 V271 T272 R276 D277 E278R260-S274 WeakPolarHBondContact CD-OG 3.39Å; R260-S274 WeakPolarHBondContact CG-OG 3.39Å; S270-S274 WeakPolarHBondContact O-CB 3.34Å; S270-S274 PolarHBondContact O-N 3.28Å; S270-S274 VanDerWaalsContact O-N 3.1Å; S270-S274 PolarHBondContact O-OG 2.98Å; V271-S274 WeakPolarHBondContact O-CB 3.31Å; V271-S274 PolarHBondContact O-N 3.14Å; V271-S274 VanDerWaalsContact O-N 3.17Å; T272-S274 VanDerWaalsContact C-N 3.32Å; S274-R276 VanDerWaalsContact C-N 3.33Å; S274-D277 PolarHBondContact O-N 2.84Å; S274-E278 WeakPolarHBondContact O-CB 3.48Å; S274-E278 PolarHBondContact O-N 3.34Å
275I87.3Confident89Confident32 Ų3275.7 Ų75.716%0.16437%0.37CS..Hα-helixtrans-69.9-30.5173.1-65.2164.4000111.3V271 T272 D273 Y279 K296V271-I275 HydrophobicContact CG1-CD1 3.87Å; V271-I275 HydrophobicContact CG1-CG1 4.37Å; V271-I275 WeakPolarHBondContact O-CG1 3.37Å; V271-I275 PolarHBondContact O-N 3.44Å; T272-I275 PolarHBondContact O-N 2.97Å; D273-I275 PolarHBondContact O-N 3.29Å; I275-Y279 PolarHBondContact O-N 2.87Å; I275-Y279 VanDerWaalsContact O-N 3.12Å; I275-K296 HydrophobicContact CG2-CD 4.13Å; I275-K296 HydrophobicContact CG2-CG 4.16Å
276R89.5Confident89.4Confident153 Ų15374.4 Ų74.458%0.57736%0.363SS*.Hα-helixtrans-67-44.2172.6-169.6-171.7-67.1127.62.1110.8T272 D273 S274 Y279 A280T272-R276 PolarHBondContact O-N 3.28Å; T272-R276 VanDerWaalsContact O-N 3.17Å; D273-R276 WeakPolarHBondContact O-CB 3.38Å; D273-R276 PolarHBondContact O-N 3.38Å; D273-R276 VanDerWaalsContact O-N 3.12Å; D273-R276 IonicContact OD1-CZ 2.79Å; D273-R276 IonicContact OD1-NH1 3.31Å; D273-R276 PolarHBondContact OD1-NH1 2.87Å; D273-R276 IonicContact OD1-NH2 2.74Å; S274-R276 VanDerWaalsContact C-N 3.33Å; R276-Y279 PolarHBondContact O-N 2.83Å; R276-A280 PolarHBondContact O-N 2.79Å
277D91.8Very high89.6Confident75 Ų7573.1 Ų73.140%0.40136%0.361SS..Hα-helixtrans-68.7-39.5178.2-70.7-3.3000112.1K269 D273 S274 Y279 A280 F281K269-D277 WeakPolarHBondContact CE-OD2 3.4Å; K269-D277 IonicContact NZ-OD2 3.58Å; K269-D277 PolarHBondContact NZ-OD2 2.8Å; D273-D277 PolarHBondContact O-N 2.83Å; S274-D277 PolarHBondContact O-N 2.84Å; D277-Y279 VanDerWaalsContact C-N 3.34Å; D277-Y279 PolarHBondContact O-N 2.82Å; D277-A280 PolarHBondContact O-N 3.37Å; D277-F281 WeakPolarHBondContact O-CB 3.36Å; D277-F281 PolarHBondContact O-N 3.49Å
278E94.2Very high89.7Confident5 Ų571.2 Ų71.22%0.02336%0.357CS..Hα-helixtrans-54.5-49.3170.2170.8178.2-122.400110.9V257 V258 S274 A280 F281 L282 G294 T295V257-E278 WeakPolarHBondContact CA-OE1 3.24Å; V257-E278 WeakPolarHBondContact CG1-OE1 3.41Å; V258-E278 HydrophobicContact CB-CB 4.16Å; V258-E278 HydrophobicContact CB-CG 4.08Å; V258-E278 PolarHBondContact N-OE1 3.26Å; S274-E278 WeakPolarHBondContact O-CB 3.48Å; S274-E278 PolarHBondContact O-N 3.34Å; E278-A280 PolarHBondContact O-N 3.42Å; E278-F281 PolarHBondContact O-N 3.4Å; E278-L282 HydrophobicContact CG-CD1 3.85Å; E278-L282 HydrophobicContact CG-CG 4.44Å; E278-L282 WeakPolarHBondContact O-CB 3.36Å; E278-L282 VanDerWaalsContact O-CG 3.29Å; E278-L282 WeakPolarHBondContact O-CG 3.33Å; E278-L282 PolarHBondContact O-N 2.79Å; E278-G294 VanDerWaalsContact CD-CA 3.46Å; E278-G294 VanDerWaalsContact OE1-CA 3.31Å; E278-G294 WeakPolarHBondContact OE1-CA 3.4Å; E278-T295 VanDerWaalsContact CD-N 3.32Å; E278-T295 PolarHBondContact OE1-N 3.33Å; E278-T295 PolarHBondContact OE1-OG1 2.9Å; E278-T295 VanDerWaalsContact OE2-CB 3.31Å; E278-T295 WeakPolarHBondContact OE2-CB 3.29Å; E278-T295 PolarHBondContact OE2-N 3.29Å; E278-T295 PolarHBondContact OE2-OG1 3.42Å; E278-T295 VanDerWaalsContact OE2-OG1 3.1Å
279Y91.5Very high89.9Confident136 Ų13663.4 Ų63.453%0.53332%0.324SS..Hα-helixtrans-62.3-44178.6-177.9-100.2000111.9I275 R276 D277 L282 Q283I275-Y279 PolarHBondContact O-N 2.87Å; I275-Y279 VanDerWaalsContact O-N 3.12Å; R276-Y279 PolarHBondContact O-N 2.83Å; D277-Y279 VanDerWaalsContact C-N 3.34Å; D277-Y279 PolarHBondContact O-N 2.82Å; Y279-L282 PolarHBondContact O-N 2.87Å; Y279-Q283 HydrophobicContact CD1-CG 4.2Å; Y279-Q283 HydrophobicContact CD2-CG 4.45Å; Y279-Q283 HydrophobicContact CE1-CG 3.84Å; Y279-Q283 HydrophobicContact CE2-CG 4.12Å; Y279-Q283 HydrophobicContact CG-CG 4.5Å; Y279-Q283 WeakPolarHBondContact O-CB 3.41Å; Y279-Q283 VanDerWaalsContact O-CG 3.25Å; Y279-Q283 WeakPolarHBondContact O-CG 3.35Å; Y279-Q283 PolarHBondContact O-N 3.41Å; Y279-Q283 PolarHBondContact OH-NE2 3.24Å
280A93.6Very high90Very high57 Ų5761.1 Ų61.147%0.47132%0.315SS..Hα-helixtrans-63.5-40.917700000112.5R276 D277 E278 K284R276-A280 PolarHBondContact O-N 2.79Å; D277-A280 PolarHBondContact O-N 3.37Å; E278-A280 PolarHBondContact O-N 3.42Å; A280-K284 WeakPolarHBondContact O-CB 3.31Å; A280-K284 PolarHBondContact O-N 2.99Å; A280-K284 VanDerWaalsContact O-N 3.13Å
281F93.4Very high90.2Very high56 Ų5664.8 Ų64.825%0.24633%0.331CS..Hα-helixtrans-62.9-49.9174.9174.7-90.2000111.5L230 D231 V258 D277 E278 Q283 K284 K285 Y286L230-F281 HydrophobicContact CB-CE1 3.85Å; L230-F281 HydrophobicContact CB-CZ 4.3Å; L230-F281 WeakPolarHBondContact O-CZ 3.16Å; D231-F281 HydrophobicContact CB-CD2 4.49Å; D231-F281 HydrophobicContact CB-CE2 4.08Å; D231-F281 HydrophobicContact CB-CZ 4.29Å; V258-F281 HydrophobicContact CG2-CD1 3.64Å; V258-F281 HydrophobicContact CG2-CE1 3.88Å; V258-F281 HydrophobicContact CG2-CG 4.36Å; D277-F281 WeakPolarHBondContact O-CB 3.36Å; D277-F281 PolarHBondContact O-N 3.49Å; E278-F281 PolarHBondContact O-N 3.4Å; F281-Q283 PolarHBondContact O-N 3Å; F281-K284 PolarHBondContact O-N 3.21Å; F281-K284 VanDerWaalsContact O-N 3.12Å; F281-K285 HydrophobicContact CE1-CB 4.21Å; F281-K285 HydrophobicContact CE1-CG 4.36Å; F281-K285 HydrophobicContact CE2-CB 4.31Å; F281-K285 HydrophobicContact CE2-CG 4.49Å; F281-K285 HydrophobicContact CZ-CB 4.05Å; F281-K285 HydrophobicContact CZ-CG 3.97Å; F281-K285 WeakPolarHBondContact O-CB 3.5Å; F281-K285 PolarHBondContact O-N 3.49Å; F281-Y286 HydrophobicContact CE1-CD2 4.32Å; F281-Y286 HydrophobicContact CE1-CE2 4.15Å
282L93.2Very high90.5Very high2 Ų272.4 Ų72.41%0.0136%0.359CS..Hα-helixtrans-62.3-42.4-179.3-71.8173000111.7L230 E278 Y279 K284 Y286 A290 N293L230-L282 HydrophobicContact CD1-CD2 4.1Å; E278-L282 HydrophobicContact CG-CD1 3.85Å; E278-L282 HydrophobicContact CG-CG 4.44Å; E278-L282 WeakPolarHBondContact O-CB 3.36Å; E278-L282 VanDerWaalsContact O-CG 3.29Å; E278-L282 WeakPolarHBondContact O-CG 3.33Å; E278-L282 PolarHBondContact O-N 2.79Å; Y279-L282 PolarHBondContact O-N 2.87Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 2.9Å; L282-Y286 HydrophobicContact CD2-CD2 4.28Å; L282-Y286 CarbonylContact O-C 3.59Å; L282-Y286 WeakPolarHBondContact O-CA 3.06Å; L282-Y286 PolarHBondContact O-N 3.09Å; L282-A290 HydrophobicContact CB-CB 4.04Å; L282-N293 HydrophobicContact CD1-CB 3.83Å; L282-N293 HydrophobicContact CD2-CB 3.95Å
283Q92.5Very high90.9Very high66 Ų6668.2 Ų68.231%0.30833%0.333SS..Hα-helixtrans-63.1-31.8175.1-71.9-66.9-14.900112.9Y279 F281 P287 A290Y279-Q283 HydrophobicContact CD1-CG 4.2Å; Y279-Q283 HydrophobicContact CD2-CG 4.45Å; Y279-Q283 HydrophobicContact CE1-CG 3.84Å; Y279-Q283 HydrophobicContact CE2-CG 4.12Å; Y279-Q283 HydrophobicContact CG-CG 4.5Å; Y279-Q283 WeakPolarHBondContact O-CB 3.41Å; Y279-Q283 VanDerWaalsContact O-CG 3.25Å; Y279-Q283 WeakPolarHBondContact O-CG 3.35Å; Y279-Q283 PolarHBondContact O-N 3.41Å; Y279-Q283 PolarHBondContact OH-NE2 3.24Å; F281-Q283 PolarHBondContact O-N 3Å; Q283-P287 WeakPolarHBondContact O-CG 3.3Å; Q283-A290 HydrophobicContact CG-CB 4.27Å
284K91.3Very high91.1Very high188 Ų18865.5 Ų65.582%0.81732%0.319SS*.Hα-helixtrans-84.1-41.9-179.8-173.7178.2179-178.10113.7A280 F281 L282A280-K284 WeakPolarHBondContact O-CB 3.31Å; A280-K284 PolarHBondContact O-N 2.99Å; A280-K284 VanDerWaalsContact O-N 3.13Å; F281-K284 PolarHBondContact O-N 3.21Å; F281-K284 VanDerWaalsContact O-N 3.12Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 2.9Å
285K88.5Confident91.1Very high93 Ų9365.2 Ų65.240%0.40432%0.317SS..Hα-helixtrans-96.2-31.6-173-177.671.8178.2-177.80113T237 F281T237-K285 PolarHBondContact O-NZ 3.26Å; F281-K285 HydrophobicContact CE1-CB 4.21Å; F281-K285 HydrophobicContact CE1-CG 4.36Å; F281-K285 HydrophobicContact CE2-CB 4.31Å; F281-K285 HydrophobicContact CE2-CG 4.49Å; F281-K285 HydrophobicContact CZ-CB 4.05Å; F281-K285 HydrophobicContact CZ-CG 3.97Å; F281-K285 WeakPolarHBondContact O-CB 3.5Å; F281-K285 PolarHBondContact O-N 3.49Å
286Y91.3Very high91.2Very high4 Ų470.7 Ų70.72%0.01634%0.34CS..  trans-135.758.9-176.9-59.9-70.6000112.9L230 D238 A239 M240 F281 L282 S288 L289 A290L230-Y286 HydrophobicContact CB-CE2 4.49Å; D238-Y286 WeakPolarHBondContact CA-OH 3.35Å; D238-Y286 HydrophobicContact CB-CE1 3.94Å; A239-Y286 PolarHBondContact N-OH 3.25Å; M240-Y286 HydrophobicContact CB-CE1 4.38Å; F281-Y286 HydrophobicContact CE1-CD2 4.32Å; F281-Y286 HydrophobicContact CE1-CE2 4.15Å; L282-Y286 HydrophobicContact CD2-CD2 4.28Å; L282-Y286 CarbonylContact O-C 3.59Å; L282-Y286 WeakPolarHBondContact O-CA 3.06Å; L282-Y286 PolarHBondContact O-N 3.09Å; Y286-S288 VanDerWaalsContact C-N 3.33Å; Y286-S288 PolarHBondContact O-N 3.48Å; Y286-L289 CarbonylContact O-C 3.58Å; Y286-L289 PolarHBondContact O-N 2.91Å; Y286-A290 PolarHBondContact O-N 3.35Å
287P89.8Confident91.2Very high79 Ų7967.6 Ų67.651%0.51333%0.329SS..THydrogen-bonded Turntrans-57.3-40.9-166.6-19.127.7000114.1Q283 L289Q283-P287 WeakPolarHBondContact O-CG 3.3Å; P287-L289 VanDerWaalsContact C-N 3.3Å; P287-L289 PolarHBondContact O-N 2.84Å
288S90.1Very high91.2Very high87 Ų8764 Ų6461%0.60831%0.309SS*.THydrogen-bonded Turntrans-70.5-23-179.754.70000114Y286Y286-S288 VanDerWaalsContact C-N 3.33Å; Y286-S288 PolarHBondContact O-N 3.48Å
289L90.3Very high90.8Very high20 Ų2064.6 Ų64.611%0.10532%0.315CS..THydrogen-bonded Turntrans-105.8-7-179-58.8180000113M240 L243 M244 Y286 P287 N291 R292 N293M240-L289 HydrophobicContact CG-CD1 3.92Å; M240-L289 HydrophobicContact SD-CD1 4.49Å; L243-L289 HydrophobicContact CB-CD1 3.89Å; L243-L289 HydrophobicContact CD1-CD1 4.34Å; M244-L289 HydrophobicContact CE-CD1 4.39Å; M244-L289 HydrophobicContact CE-CD2 4.34Å; M244-L289 HydrophobicContact CG-CD1 4.39Å; Y286-L289 CarbonylContact O-C 3.58Å; Y286-L289 PolarHBondContact O-N 2.91Å; P287-L289 VanDerWaalsContact C-N 3.3Å; P287-L289 PolarHBondContact O-N 2.84Å; L289-N291 PolarHBondContact O-N 3.44Å; L289-N291 VanDerWaalsContact O-N 3.13Å; L289-R292 CarbonylContact O-C 3.57Å; L289-R292 WeakPolarHBondContact O-CA 3.19Å; L289-R292 PolarHBondContact O-N 3.44Å; L289-N293 WeakPolarHBondContact CB-ND2 3.29Å; L289-N293 PolarHBondContact O-N 3.46Å; L289-N293 VanDerWaalsContact O-N 3.14Å; L289-N293 PolarHBondContact O-ND2 2.85Å
290A89.6Confident90.5Very high5 Ų567.3 Ų67.34%0.04133%0.325CS..G310 helixtrans-56-31.9-178.300000113.4L282 Q283 Y286 R292L282-A290 HydrophobicContact CB-CB 4.04Å; Q283-A290 HydrophobicContact CG-CB 4.27Å; Y286-A290 PolarHBondContact O-N 3.35Å; A290-R292 VanDerWaalsContact C-N 3.31Å; A290-R292 PolarHBondContact O-N 2.91Å
291N90Very high90.3Very high121 Ų12165.7 Ų65.765%0.64731%0.309SS*.G310 helixtrans-79.6-6.8176.7-66.2-26.4000114.5L289 Y297L289-N291 PolarHBondContact O-N 3.44Å; L289-N291 VanDerWaalsContact O-N 3.13Å; N291-Y297 VanDerWaalsContact O-CD2 3.31Å; N291-Y297 WeakPolarHBondContact O-CD2 3.5Å
292R89.4Confident90Very high172 Ų17263 Ų6365%0.64930%0.297SS*.G310 helixtrans-118.36.2177.5-65.5-174.4177.3-170-0.3113L289 A290 Y297L289-R292 CarbonylContact O-C 3.57Å; L289-R292 WeakPolarHBondContact O-CA 3.19Å; L289-R292 PolarHBondContact O-N 3.44Å; A290-R292 VanDerWaalsContact C-N 3.31Å; A290-R292 PolarHBondContact O-N 2.91Å; R292-Y297 VanDerWaalsContact C-CD1 3.41Å; R292-Y297 HydrophobicContact CB-CE1 4.36Å; R292-Y297 WeakPolarHBondContact O-CD1 3.29Å; R292-Y297 WeakPolarHBondContact O-CE1 3.31Å
293N92.6Very high89.5Confident10 Ų1065 Ų655%0.05331%0.308CS..  trans-126.3171.3-179.7-75.5-35.3000110G256 L282 L289 Y297G256-N293 PolarHBondContact N-OD1 3.13Å; L282-N293 HydrophobicContact CD1-CB 3.83Å; L282-N293 HydrophobicContact CD2-CB 3.95Å; L289-N293 WeakPolarHBondContact CB-ND2 3.29Å; L289-N293 PolarHBondContact O-N 3.46Å; L289-N293 VanDerWaalsContact O-N 3.14Å; L289-N293 PolarHBondContact O-ND2 2.85Å; N293-Y297 WeakPolarHBondContact O-CB 3.3Å
294G93.4Very high89.1Confident4 Ų469.5 Ų69.54%0.04132%0.322CS..SBendtrans92.1157.2176.800000114G256 E278 K296 Y297 L298G256-G294 PolarHBondContact O-N 2.8Å; E278-G294 VanDerWaalsContact CD-CA 3.46Å; E278-G294 VanDerWaalsContact OE1-CA 3.31Å; E278-G294 WeakPolarHBondContact OE1-CA 3.4Å; G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 3.34Å; G294-Y297 PolarHBondContact O-N 3.02Å; G294-L298 PolarHBondContact O-N 2.95Å
295T90.6Very high88.9Confident5 Ų561.9 Ų61.93%0.03129%0.29CS..Hα-helixtrans-53.3-42.2-175.1-60.90000112.6S44 E278 Y297 L298 A299S44-T295 VanDerWaalsContact O-CG2 3.27Å; S44-T295 WeakPolarHBondContact O-CG2 3.38Å; S44-T295 VanDerWaalsContact OG-CG2 3.25Å; S44-T295 WeakPolarHBondContact OG-CG2 3.45Å; S44-T295 PolarHBondContact OG-OG1 3.25Å; E278-T295 VanDerWaalsContact CD-N 3.32Å; E278-T295 PolarHBondContact OE1-N 3.33Å; E278-T295 PolarHBondContact OE1-OG1 2.9Å; E278-T295 VanDerWaalsContact OE2-CB 3.31Å; E278-T295 WeakPolarHBondContact OE2-CB 3.29Å; E278-T295 PolarHBondContact OE2-N 3.29Å; E278-T295 PolarHBondContact OE2-OG1 3.42Å; E278-T295 VanDerWaalsContact OE2-OG1 3.1Å; T295-Y297 VanDerWaalsContact C-N 3.34Å; T295-Y297 PolarHBondContact O-N 3.35Å; T295-L298 WeakPolarHBondContact O-CB 3.21Å; T295-L298 PolarHBondContact O-N 3.35Å; T295-A299 PolarHBondContact O-N 2.9Å
296K87.9Confident88.4Confident147 Ų14757.6 Ų57.664%0.63927%0.271SS*.Hα-helixtrans-65-34.8178.3-73-178.4173.1175.60113.1I275 G294 R300I275-K296 HydrophobicContact CG2-CD 4.13Å; I275-K296 HydrophobicContact CG2-CG 4.16Å; G294-K296 VanDerWaalsContact C-N 3.29Å; G294-K296 PolarHBondContact O-N 3.34Å; K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 3.11Å
297Y91.2Very high87.8Confident87 Ų8758.2 Ų58.234%0.34128%0.275SS..Hα-helixtrans-74.4-40.5175.4-176.1-94.5000110.8I255 N291 R292 N293 G294 T295 R300 T301I255-Y297 HydrophobicContact CD1-CD1 3.91Å; I255-Y297 HydrophobicContact CD1-CE1 3.91Å; I255-Y297 HydrophobicContact CG1-CD1 4.23Å; I255-Y297 HydrophobicContact CG1-CE1 4.17Å; I255-Y297 HydrophobicContact CG2-CD1 4.25Å; N291-Y297 VanDerWaalsContact O-CD2 3.31Å; N291-Y297 WeakPolarHBondContact O-CD2 3.5Å; R292-Y297 VanDerWaalsContact C-CD1 3.41Å; R292-Y297 HydrophobicContact CB-CE1 4.36Å; R292-Y297 WeakPolarHBondContact O-CD1 3.29Å; R292-Y297 WeakPolarHBondContact O-CE1 3.31Å; N293-Y297 WeakPolarHBondContact O-CB 3.3Å; G294-Y297 PolarHBondContact O-N 3.02Å; T295-Y297 VanDerWaalsContact C-N 3.34Å; T295-Y297 PolarHBondContact O-N 3.35Å; Y297-R300 PolarHBondContact O-N 2.63Å; Y297-T301 WeakPolarHBondContact CE1-OG1 3.27Å; Y297-T301 VanDerWaalsContact O-CB 3.29Å; Y297-T301 WeakPolarHBondContact O-CB 3.45Å; Y297-T301 PolarHBondContact O-N 3.4Å; Y297-T301 PolarHBondContact O-OG1 2.66Å
298L91.4Very high87.4Confident0 Ų058.9 Ų58.90%027%0.271CS..Hα-helixtrans-57.1-52.9174.1-177.961000111.4V41 L45 L224 V226 I255 V257 G294 T295 R300 T301 L302V41-L298 HydrophobicContact CG1-CD2 3.72Å; L45-L298 HydrophobicContact CD2-CG 4.39Å; L224-L298 HydrophobicContact CD2-CD1 4.12Å; V226-L298 HydrophobicContact CG1-CD2 4.33Å; V226-L298 HydrophobicContact CG2-CD1 3.9Å; V226-L298 HydrophobicContact CG2-CD2 4.22Å; I255-L298 HydrophobicContact CB-CD1 4.33Å; I255-L298 HydrophobicContact CD1-CD1 3.78Å; I255-L298 HydrophobicContact CG2-CB 4.08Å; I255-L298 HydrophobicContact CG2-CD1 4.31Å; V257-L298 HydrophobicContact CG2-CD2 3.95Å; G294-L298 PolarHBondContact O-N 2.95Å; T295-L298 WeakPolarHBondContact O-CB 3.21Å; T295-L298 PolarHBondContact O-N 3.35Å; L298-R300 PolarHBondContact O-N 3.45Å; L298-T301 PolarHBondContact O-N 3.33Å; L298-T301 VanDerWaalsContact O-N 3.12Å; L298-L302 HydrophobicContact CD1-CD1 3.93Å; L298-L302 HydrophobicContact CD1-CD2 4.34Å; L298-L302 HydrophobicContact CD1-CG 3.87Å; L298-L302 HydrophobicContact CD2-CD1 4.48Å; L298-L302 HydrophobicContact CG-CD1 3.83Å; L298-L302 HydrophobicContact CG-CG 4.19Å; L298-L302 WeakPolarHBondContact O-CB 3.36Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.98Å
299A85.9Confident86.8Confident18 Ų1856.4 Ų56.415%0.14925%0.249CC..Hα-helixtrans-55.2-47.6-18000000112.8L45 T295 N303L45-A299 HydrophobicContact CD2-CB 3.57Å; T295-A299 PolarHBondContact O-N 2.9Å; A299-N303 PolarHBondContact O-N 3.33Å
300R85.4Confident86.1Confident193 Ų19355.6 Ų55.673%0.72825%0.245SC*.Hα-helixtrans-64.8-39.6177.8-72176.4175.2-170.3-3112.2K296 Y297 L298 R304K296-R300 WeakPolarHBondContact O-CG 3.44Å; K296-R300 PolarHBondContact O-N 3.11Å; Y297-R300 PolarHBondContact O-N 2.63Å; L298-R300 PolarHBondContact O-N 3.45Å; R300-R304 WeakPolarHBondContact O-CB 3.41Å; R300-R304 PolarHBondContact O-N 2.85Å
301T89.6Confident85.6Confident23 Ų2362.4 Ų62.414%0.14127%0.27CS..Hα-helixtrans-70.3-44179.7-57.60000111.2I255 Y297 L298 R304 L305I255-T301 HydrophobicContact CD1-CG2 3.95Å; Y297-T301 WeakPolarHBondContact CE1-OG1 3.27Å; Y297-T301 VanDerWaalsContact O-CB 3.29Å; Y297-T301 WeakPolarHBondContact O-CB 3.45Å; Y297-T301 PolarHBondContact O-N 3.4Å; Y297-T301 PolarHBondContact O-OG1 2.66Å; L298-T301 PolarHBondContact O-N 3.33Å; L298-T301 VanDerWaalsContact O-N 3.12Å; T301-R304 PolarHBondContact O-N 3.25Å; T301-L305 HydrophobicContact CG2-CD1 3.77Å; T301-L305 HydrophobicContact CG2-CG 4.19Å; T301-L305 WeakPolarHBondContact O-CB 3.48Å; T301-L305 VanDerWaalsContact O-CG 3.24Å; T301-L305 WeakPolarHBondContact O-CG 3.42Å; T301-L305 PolarHBondContact O-N 2.86Å
302L87.1Confident85.1Confident0 Ų061.9 Ų61.90%027%0.267CS..Hα-helixtrans-59.6-47.4174.9-72.6177.6000111.9I28 L45 L155 L195 L224 L298 L305 L306I28-L302 HydrophobicContact CD1-CB 4.22Å; I28-L302 HydrophobicContact CD1-CD2 4.24Å; L45-L302 HydrophobicContact CD1-CD1 3.79Å; L45-L302 HydrophobicContact CD2-CD1 4.33Å; L155-L302 HydrophobicContact CD1-CB 4.14Å; L155-L302 HydrophobicContact CD2-CB 4.14Å; L155-L302 HydrophobicContact CD2-CD1 4.27Å; L195-L302 HydrophobicContact CD1-CD2 3.85Å; L195-L302 HydrophobicContact CD2-CD1 4.48Å; L224-L302 HydrophobicContact CD2-CD2 3.57Å; L224-L302 HydrophobicContact CD2-CG 4.44Å; L298-L302 HydrophobicContact CD1-CD1 3.93Å; L298-L302 HydrophobicContact CD1-CD2 4.34Å; L298-L302 HydrophobicContact CD1-CG 3.87Å; L298-L302 HydrophobicContact CD2-CD1 4.48Å; L298-L302 HydrophobicContact CG-CD1 3.83Å; L298-L302 HydrophobicContact CG-CG 4.19Å; L298-L302 WeakPolarHBondContact O-CB 3.36Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.98Å; L302-L305 PolarHBondContact O-N 3.48Å; L302-L306 VanDerWaalsContact O-CB 3.27Å; L302-L306 WeakPolarHBondContact O-CB 3.3Å; L302-L306 PolarHBondContact O-N 3.49Å
303N82.4Confident84.5Confident42 Ų4254.3 Ų54.323%0.22524%0.24CC..Hα-helixtrans-59.2-48.9174.2179.428.2000111I5 V153 A299 L305 L306 M307I5-N303 WeakPolarHBondContact CD1-OD1 3.17Å; V153-N303 HydrophobicContact CG1-CB 3.63Å; V153-N303 VanDerWaalsContact CG1-CG 3.42Å; V153-N303 WeakPolarHBondContact CG1-ND2 3.5Å; A299-N303 PolarHBondContact O-N 3.33Å; N303-L305 VanDerWaalsContact C-N 3.34Å; N303-L305 PolarHBondContact O-N 3.47Å; N303-L306 PolarHBondContact O-N 3.44Å; N303-M307 WeakPolarHBondContact O-CB 3.49Å; N303-M307 WeakPolarHBondContact O-CG 3.46Å; N303-M307 PolarHBondContact O-N 3.34Å; N303-M307 WeakPolarHBondContact OD1-CG 3.3Å
304R84.3Confident83.8Confident162 Ų16254.7 Ų54.761%0.61124%0.242SC*.Hα-helixtrans-60.2-42.9179.6-158.5-170.689.3178.35.7112.3R300 T301 M307 H308R300-R304 WeakPolarHBondContact O-CB 3.41Å; R300-R304 PolarHBondContact O-N 2.85Å; T301-R304 PolarHBondContact O-N 3.25Å; R304-M307 PolarHBondContact O-N 3.33Å; R304-H308 PolarHBondContact O-CD2 2.95Å; R304-H308 PolarHBondContact O-N 2.92Å
305L85.6Confident83.3Confident27 Ų2757.9 Ų57.914%0.14126%0.262CS..Hα-helixtrans-66.8-47.2178.9-73173.5000111.4I193 L224 L252 T301 L302 N303 M307 H308 H309I193-L305 HydrophobicContact CD1-CB 4.29Å; L224-L305 HydrophobicContact CD2-CD1 4.13Å; L252-L305 HydrophobicContact CB-CD1 4.24Å; L252-L305 HydrophobicContact CD1-CD1 4.26Å; L252-L305 HydrophobicContact CD2-CD2 4Å; T301-L305 HydrophobicContact CG2-CD1 3.77Å; T301-L305 HydrophobicContact CG2-CG 4.19Å; T301-L305 WeakPolarHBondContact O-CB 3.48Å; T301-L305 VanDerWaalsContact O-CG 3.24Å; T301-L305 WeakPolarHBondContact O-CG 3.42Å; T301-L305 PolarHBondContact O-N 2.86Å; L302-L305 PolarHBondContact O-N 3.48Å; N303-L305 VanDerWaalsContact C-N 3.34Å; N303-L305 PolarHBondContact O-N 3.47Å; L305-M307 VanDerWaalsContact C-N 3.33Å; L305-M307 PolarHBondContact O-N 2.99Å; L305-H308 PolarHBondContact O-N 3.47Å; L305-H309 WeakPolarHBondContact O-CB 3.47Å; L305-H309 PolarHBondContact O-N 2.92Å
306L79.6Confident82.8Confident3 Ų364.1 Ų64.12%0.01629%0.291CS..Hα-helixtrans-58.2-47174.7-177.560.2000110.3I5 I28 L155 I193 L302 N303 H308 H309 I310I5-L306 HydrophobicContact CD1-CD2 4.22Å; I28-L306 HydrophobicContact CD1-CB 4.25Å; I28-L306 HydrophobicContact CD1-CD2 4.2Å; I28-L306 HydrophobicContact CG1-CD1 4.44Å; L155-L306 HydrophobicContact CD1-CD2 3.84Å; I193-L306 HydrophobicContact CD1-CB 4.44Å; I193-L306 HydrophobicContact CD1-CD1 4.49Å; L302-L306 VanDerWaalsContact O-CB 3.27Å; L302-L306 WeakPolarHBondContact O-CB 3.3Å; L302-L306 PolarHBondContact O-N 3.49Å; N303-L306 PolarHBondContact O-N 3.44Å; L306-H308 PolarHBondContact O-N 2.92Å; L306-H309 PolarHBondContact O-N 3.15Å; L306-I310 HydrophobicContact CD1-CD1 3.99Å; L306-I310 HydrophobicContact CD1-CG1 4.1Å; L306-I310 HydrophobicContact CD2-CD1 4.42Å; L306-I310 HydrophobicContact CG-CD1 3.67Å; L306-I310 HydrophobicContact CG-CG1 4.26Å; L306-I310 VanDerWaalsContact O-CB 3.29Å; L306-I310 WeakPolarHBondContact O-CB 3.44Å; L306-I310 WeakPolarHBondContact O-CD1 3.39Å; L306-I310 WeakPolarHBondContact O-CG1 3.07Å; L306-I310 PolarHBondContact O-N 2.91Å
307M76.7Confident82.4Confident18 Ų1857.5 Ų57.59%0.08926%0.262CS..Hα-helixtrans-58.5-42.4177.6-79.5-65.8-52.900114.5M1 L4 I5 N303 R304 L305 R311M1-M307 HydrophobicContact CB-CE 3.94Å; M1-M307 HydrophobicContact CG-CE 3.88Å; M1-M307 WeakPolarHBondContact O-CE 3.35Å; L4-M307 HydrophobicContact CB-CE 3.83Å; L4-M307 HydrophobicContact CB-SD 3.83Å; L4-M307 HydrophobicContact CD1-CE 3.52Å; L4-M307 HydrophobicContact CD1-SD 4.37Å; L4-M307 HydrophobicContact CG-CE 4.12Å; I5-M307 HydrophobicContact CD1-CG 4.23Å; I5-M307 HydrophobicContact CD1-SD 3.94Å; I5-M307 HydrophobicContact CG1-SD 3.82Å; N303-M307 WeakPolarHBondContact O-CB 3.49Å; N303-M307 WeakPolarHBondContact O-CG 3.46Å; N303-M307 PolarHBondContact O-N 3.34Å; N303-M307 WeakPolarHBondContact OD1-CG 3.3Å; R304-M307 PolarHBondContact O-N 3.33Å; L305-M307 VanDerWaalsContact C-N 3.33Å; L305-M307 PolarHBondContact O-N 2.99Å; M307-R311 PolarHBondContact O-N 3.34Å
308H81.9Confident82Confident92 Ų9255 Ų5543%0.42625%0.253SS..Hα-helixtrans-68.4-48.9173.9-78.9-68.1000111.5R304 L305 L306 I310 R311 D312R304-H308 PolarHBondContact O-CD2 2.95Å; R304-H308 PolarHBondContact O-N 2.92Å; L305-H308 PolarHBondContact O-N 3.47Å; L306-H308 PolarHBondContact O-N 2.92Å; H308-I310 VanDerWaalsContact C-N 3.3Å; H308-I310 PolarHBondContact O-N 3.41Å; H308-R311 WeakPolarHBondContact O-CA 3.4Å; H308-R311 WeakPolarHBondContact O-CB 3.26Å; H308-R311 PolarHBondContact O-N 2.96Å; H308-D312 VanDerWaalsContact O-CG 3.26Å; H308-D312 PolarHBondContact O-N 3.23Å
309H77.4Confident81.8Confident35 Ų3559.2 Ų59.216%0.16228%0.279CS..Hα-helixtrans-59.1-40.9-179.5-175.174.5000112.2N191 I193 L305 L306 D312 C313N191-H309 WeakPolarHBondContact CA-NE2 3.48Å; N191-H309 PolarHBondContact O-NE2 3.4Å; I193-H309 HydrophobicContact CD1-CB 3.93Å; I193-H309 HydrophobicContact CG1-CB 4.48Å; L305-H309 WeakPolarHBondContact O-CB 3.47Å; L305-H309 PolarHBondContact O-N 2.92Å; L306-H309 PolarHBondContact O-N 3.15Å; H309-D312 PolarHBondContact O-N 2.98Å; H309-C313 WeakPolarHBondContact O-CB 3.1Å; H309-C313 PolarHBondContact O-N 3.16Å; H309-C313 PolarHBondContact O-SG 2.7Å
310I76.4Confident81.7Confident3 Ų363.8 Ų63.82%0.01529%0.293CS..Hα-helixtrans-54.5-54.4169.1-73.2168.8000111L4 I5 I8 P26 L306 H308 D312 C313 L314L4-I310 HydrophobicContact CB-CG2 4.26Å; L4-I310 HydrophobicContact CD1-CG2 3.99Å; L4-I310 HydrophobicContact CD2-CG2 4.1Å; L4-I310 HydrophobicContact CG-CG2 4.36Å; I5-I310 HydrophobicContact CG1-CD1 4.01Å; I8-I310 HydrophobicContact CD1-CB 3.9Å; I8-I310 HydrophobicContact CD1-CD1 3.39Å; I8-I310 HydrophobicContact CD1-CG1 3.29Å; I8-I310 HydrophobicContact CD1-CG2 3.36Å; P26-I310 HydrophobicContact CB-CG1 4.12Å; P26-I310 HydrophobicContact CG-CG1 3.73Å; L306-I310 HydrophobicContact CD1-CD1 3.99Å; L306-I310 HydrophobicContact CD1-CG1 4.1Å; L306-I310 HydrophobicContact CD2-CD1 4.42Å; L306-I310 HydrophobicContact CG-CD1 3.67Å; L306-I310 HydrophobicContact CG-CG1 4.26Å; L306-I310 VanDerWaalsContact O-CB 3.29Å; L306-I310 WeakPolarHBondContact O-CB 3.44Å; L306-I310 WeakPolarHBondContact O-CD1 3.39Å; L306-I310 WeakPolarHBondContact O-CG1 3.07Å; L306-I310 PolarHBondContact O-N 2.91Å; H308-I310 VanDerWaalsContact C-N 3.3Å; H308-I310 PolarHBondContact O-N 3.41Å; I310-D312 VanDerWaalsContact C-N 3.26Å; I310-D312 PolarHBondContact O-N 3Å; I310-C313 PolarHBondContact O-N 3.22Å; I310-L314 HydrophobicContact CG2-CD1 3.7Å; I310-L314 HydrophobicContact CG2-CG 4.12Å; I310-L314 WeakPolarHBondContact O-CB 3.4Å; I310-L314 WeakPolarHBondContact O-CG 3.34Å; I310-L314 PolarHBondContact O-N 2.98Å
311R78.3Confident81.7Confident149 Ų14954.6 Ų54.656%0.56226%0.258SS*.Hα-helixtrans-59-39.7-177.2178.8-177.1177.1164.12.6111.7M307 H308 P315M307-R311 PolarHBondContact O-N 3.34Å; H308-R311 WeakPolarHBondContact O-CA 3.4Å; H308-R311 WeakPolarHBondContact O-CB 3.26Å; H308-R311 PolarHBondContact O-N 2.96Å; R311-P315 WeakPolarHBondContact O-CD 3.44Å
312D80.3Confident81.6Confident110 Ų11057 Ų5759%0.58827%0.27SS*.Hα-helixtrans-76.7-35.5-176.7-61.3-18.4000111.6H308 H309 I310 P315H308-D312 VanDerWaalsContact O-CG 3.26Å; H308-D312 PolarHBondContact O-N 3.23Å; H309-D312 PolarHBondContact O-N 2.98Å; I310-D312 VanDerWaalsContact C-N 3.26Å; I310-D312 PolarHBondContact O-N 3Å; D312-P315 WeakPolarHBondContact O-CD 3.39Å
313C76.4Confident81.8Confident13 Ų1360.6 Ų60.69%0.08829%0.292CS..Hα-helixtrans-79.9-23.4176-66.90000114.5N191 H309 I310 E316 L317N191-C313 PolarHBondContact OD1-SG 3.07Å; H309-C313 WeakPolarHBondContact O-CB 3.1Å; H309-C313 PolarHBondContact O-N 3.16Å; H309-C313 PolarHBondContact O-SG 2.7Å; I310-C313 PolarHBondContact O-N 3.22Å; C313-E316 PolarHBondContact O-N 3.42Å; C313-L317 WeakPolarHBondContact O-CB 3.3Å; C313-L317 PolarHBondContact O-N 2.81Å
314L77.6Confident81.9Confident18 Ų1859.5 Ų59.59%0.09429%0.286CS..Hα-helixtrans-58-39.8-175.5-91.4171.1000115.4L4 I310 L317 K318 I740 I743L4-L314 HydrophobicContact CD2-CD1 3.64Å; I310-L314 HydrophobicContact CG2-CD1 3.7Å; I310-L314 HydrophobicContact CG2-CG 4.12Å; I310-L314 WeakPolarHBondContact O-CB 3.4Å; I310-L314 WeakPolarHBondContact O-CG 3.34Å; I310-L314 PolarHBondContact O-N 2.98Å; L314-L317 HydrophobicContact CD2-CD2 4.37Å; L314-L317 PolarHBondContact O-N 3.27Å; L314-K318 WeakPolarHBondContact O-CB 3.4Å; L314-K318 PolarHBondContact O-N 3.2Å; L314-I740 HydrophobicContact CD2-CG1 4.48Å; L314-I743 HydrophobicContact CD1-CD1 3.99Å; L314-I743 HydrophobicContact CD1-CG2 4.14Å; L314-I743 HydrophobicContact CD2-CD1 3.77Å
315P82.6Confident82.1Confident71 Ų7152.7 Ų52.746%0.46126%0.264SS..Hα-helixtrans-62.1-42.2175.6-24.134.9000113.1R311 D312 T319R311-P315 WeakPolarHBondContact O-CD 3.44Å; D312-P315 WeakPolarHBondContact O-CD 3.39Å; P315-T319 PolarHBondContact O-N 2.94Å; P315-T319 VanDerWaalsContact O-N 3.08Å; P315-T319 PolarHBondContact O-OG1 3.29Å
316E81.3Confident82.4Confident135 Ų13554.3 Ų54.363%0.63128%0.282SS*.Hα-helixtrans-68.3-44.2177.1-62.3-171.7169.300110.8C313 K318 T319 R320C313-E316 PolarHBondContact O-N 3.42Å; E316-K318 PolarHBondContact O-N 3.32Å; E316-T319 WeakPolarHBondContact O-CB 3.46Å; E316-T319 PolarHBondContact O-N 2.88Å; E316-T319 VanDerWaalsContact O-N 3.14Å; E316-R320 WeakPolarHBondContact O-CB 3.21Å; E316-R320 PolarHBondContact O-N 2.86Å
317L79.8Confident82.9Confident8 Ų859.6 Ų59.64%0.04231%0.306CS..Hα-helixtrans-58-45.4175.4178.559000111.8I23 L25 C313 L314 T319 R320 I321 I740I23-L317 HydrophobicContact CG2-CD1 3.54Å; L25-L317 HydrophobicContact CD2-CD2 4Å; C313-L317 WeakPolarHBondContact O-CB 3.3Å; C313-L317 PolarHBondContact O-N 2.81Å; L314-L317 HydrophobicContact CD2-CD2 4.37Å; L314-L317 PolarHBondContact O-N 3.27Å; L317-T319 VanDerWaalsContact C-N 3.33Å; L317-T319 PolarHBondContact O-N 2.76Å; L317-R320 PolarHBondContact O-N 3.08Å; L317-I321 HydrophobicContact CD1-CD1 3.88Å; L317-I321 HydrophobicContact CD1-CG1 4.29Å; L317-I321 HydrophobicContact CG-CD1 3.93Å; L317-I321 WeakPolarHBondContact O-CG1 2.96Å; L317-I321 PolarHBondContact O-N 3.02Å; L317-I740 HydrophobicContact CG-CD1 4.42Å
318K83Confident83.3Confident35 Ų3560.9 Ų60.915%0.15231%0.31CS..Hα-helixtrans-61-43.2175.2-168.7176.9-172.7159.50111.6L314 E316 I321 N322 I740L314-K318 WeakPolarHBondContact O-CB 3.4Å; L314-K318 PolarHBondContact O-N 3.2Å; E316-K318 PolarHBondContact O-N 3.32Å; K318-I321 PolarHBondContact O-N 3.42Å; K318-N322 WeakPolarHBondContact O-CB 2.97Å; K318-N322 VanDerWaalsContact O-CG 3.29Å; K318-N322 PolarHBondContact O-N 3.09Å; K318-I740 HydrophobicContact CB-CG2 3.98Å; K318-I740 HydrophobicContact CD-CG2 3.83Å; K318-I740 HydrophobicContact CG-CG2 3.92Å
319T86.7Confident83.7Confident88 Ų8860.2 Ų60.254%0.5431%0.307SS..Hα-helixtrans-63.1-44.3179.3-54.40000110.7P315 E316 L317 N322 V323P315-T319 PolarHBondContact O-N 2.94Å; P315-T319 VanDerWaalsContact O-N 3.08Å; P315-T319 PolarHBondContact O-OG1 3.29Å; E316-T319 WeakPolarHBondContact O-CB 3.46Å; E316-T319 PolarHBondContact O-N 2.88Å; E316-T319 VanDerWaalsContact O-N 3.14Å; L317-T319 VanDerWaalsContact C-N 3.33Å; L317-T319 PolarHBondContact O-N 2.76Å; T319-N322 PolarHBondContact O-N 2.66Å; T319-V323 WeakPolarHBondContact O-CG2 3.37Å; T319-V323 PolarHBondContact O-N 3.46Å
320R83.5Confident84.1Confident114 Ų11462.2 Ų62.243%0.4333%0.325SS..Hα-helixtrans-62.1-44.4174.9-173.8178.1178.1118.7-5.5112.4I22 E316 L317 N322 V323 L324I22-R320 PolarHBondContact O-NE 3.31Å; I22-R320 PolarHBondContact O-NH2 2.7Å; E316-R320 WeakPolarHBondContact O-CB 3.21Å; E316-R320 PolarHBondContact O-N 2.86Å; L317-R320 PolarHBondContact O-N 3.08Å; R320-N322 VanDerWaalsContact C-N 3.35Å; R320-N322 PolarHBondContact O-N 2.91Å; R320-V323 PolarHBondContact O-N 3.39Å; R320-L324 HydrophobicContact CG-CD1 4.06Å; R320-L324 WeakPolarHBondContact O-CB 3.39Å; R320-L324 WeakPolarHBondContact O-CG 3.44Å; R320-L324 PolarHBondContact O-N 3.29Å
321I85.6Confident84.4Confident0 Ų065 Ų650%034%0.34CS..Hα-helixtrans-61.4-42.9176.3-74.3164.7000111F15 I23 L317 K318 L324 A325 L733 A736 I740F15-I321 HydrophobicContact CE2-CD1 4.47Å; F15-I321 HydrophobicContact CZ-CD1 4.06Å; F15-I321 HydrophobicContact CZ-CG1 4.36Å; I23-I321 HydrophobicContact CD1-CG1 3.9Å; L317-I321 HydrophobicContact CD1-CD1 3.88Å; L317-I321 HydrophobicContact CD1-CG1 4.29Å; L317-I321 HydrophobicContact CG-CD1 3.93Å; L317-I321 WeakPolarHBondContact O-CG1 2.96Å; L317-I321 PolarHBondContact O-N 3.02Å; K318-I321 PolarHBondContact O-N 3.42Å; I321-L324 PolarHBondContact O-N 2.99Å; I321-A325 VanDerWaalsContact O-CB 3.28Å; I321-A325 WeakPolarHBondContact O-CB 3.19Å; I321-A325 PolarHBondContact O-N 3.44Å; I321-L733 HydrophobicContact CG1-CD2 4.31Å; I321-L733 HydrophobicContact CG2-CB 4.47Å; I321-L733 HydrophobicContact CG2-CD2 4.1Å; I321-A736 HydrophobicContact CD1-CB 4.27Å; I321-I740 HydrophobicContact CD1-CD1 3.4Å; I321-I740 VanDerWaalsContact CD1-CD1 3.4Å
322N87.8Confident84.7Confident74 Ų7459 Ų5940%0.39632%0.319SS..Hα-helixtrans-64.9-40.4176.9-72.4-9.2000112.4K318 T319 R320 A325 A326 S737K318-N322 WeakPolarHBondContact O-CB 2.97Å; K318-N322 VanDerWaalsContact O-CG 3.29Å; K318-N322 PolarHBondContact O-N 3.09Å; T319-N322 PolarHBondContact O-N 2.66Å; R320-N322 VanDerWaalsContact C-N 3.35Å; R320-N322 PolarHBondContact O-N 2.91Å; N322-A325 PolarHBondContact O-N 2.64Å; N322-A326 WeakPolarHBondContact O-CB 3.47Å; N322-A326 PolarHBondContact O-N 3.23Å; N322-S737 PolarHBondContact OD1-OG 2.81Å
323V90.4Very high84.7Confident75 Ų7558.9 Ų58.946%0.45532%0.318SS..Hα-helixtrans-64.3-46.6175.21700000111T319 R320 A325 A326 Q327T319-V323 WeakPolarHBondContact O-CG2 3.37Å; T319-V323 PolarHBondContact O-N 3.46Å; R320-V323 PolarHBondContact O-N 3.39Å; V323-A325 PolarHBondContact O-N 2.93Å; V323-A326 PolarHBondContact O-N 2.97Å; V323-Q327 WeakPolarHBondContact O-CG 3.21Å; V323-Q327 PolarHBondContact O-N 3.49Å
324L86.1Confident84.7Confident20 Ų2060.6 Ų60.611%0.10533%0.33CS..Hα-helixtrans-61.9-43.2176.1-71.2169.2000111.3I22 I23 R320 I321 A326 Q327 Y328 L733I22-L324 HydrophobicContact CG2-CD1 3.93Å; I22-L324 HydrophobicContact CG2-CD2 4.12Å; I23-L324 HydrophobicContact CD1-CD1 3.88Å; I23-L324 HydrophobicContact CG1-CD1 3.86Å; R320-L324 HydrophobicContact CG-CD1 4.06Å; R320-L324 WeakPolarHBondContact O-CB 3.39Å; R320-L324 WeakPolarHBondContact O-CG 3.44Å; R320-L324 PolarHBondContact O-N 3.29Å; I321-L324 PolarHBondContact O-N 2.99Å; L324-A326 VanDerWaalsContact C-N 3.34Å; L324-A326 PolarHBondContact O-N 3.45Å; L324-Q327 WeakPolarHBondContact O-CB 3.16Å; L324-Q327 PolarHBondContact O-N 2.68Å; L324-Y328 WeakPolarHBondContact O-CD2 3.32Å; L324-Y328 PolarHBondContact O-N 2.94Å; L324-L733 HydrophobicContact CB-CD1 3.92Å; L324-L733 HydrophobicContact CB-CD2 4.23Å
325A88.4Confident84.5Confident18 Ų1861.5 Ų61.515%0.14933%0.333CS..Hα-helixtrans-61.3-42.1176.800000111.7I321 N322 V323 Y328 Q329 L730 L733I321-A325 VanDerWaalsContact O-CB 3.28Å; I321-A325 WeakPolarHBondContact O-CB 3.19Å; I321-A325 PolarHBondContact O-N 3.44Å; N322-A325 PolarHBondContact O-N 2.64Å; V323-A325 PolarHBondContact O-N 2.93Å; A325-Y328 PolarHBondContact O-N 3.04Å; A325-Q329 VanDerWaalsContact O-CB 3.27Å; A325-Q329 WeakPolarHBondContact O-CB 3.43Å; A325-Q329 PolarHBondContact O-N 3.15Å; A325-L730 HydrophobicContact CB-CD1 4.07Å; A325-L730 WeakPolarHBondContact O-CD1 3.43Å; A325-L733 HydrophobicContact CB-CB 4.21Å
326A90.6Very high83.9Confident62 Ų6259.1 Ų59.151%0.51232%0.321SS..Hα-helixtrans-64.7-37.9174.400000112.5N322 V323 L324 S330N322-A326 WeakPolarHBondContact O-CB 3.47Å; N322-A326 PolarHBondContact O-N 3.23Å; V323-A326 PolarHBondContact O-N 2.97Å; L324-A326 VanDerWaalsContact C-N 3.34Å; L324-A326 PolarHBondContact O-N 3.45Å; A326-S330 WeakPolarHBondContact O-CB 3.33Å; A326-S330 PolarHBondContact O-N 2.88Å
327Q89.7Confident83.4Confident113 Ų11360.4 Ų60.453%0.52833%0.327SS..Hα-helixtrans-65.3-49174.8-73.4172.4-1000112V323 L324 Q329 S330 L331V323-Q327 WeakPolarHBondContact O-CG 3.21Å; V323-Q327 PolarHBondContact O-N 3.49Å; L324-Q327 WeakPolarHBondContact O-CB 3.16Å; L324-Q327 PolarHBondContact O-N 2.68Å; Q327-Q329 VanDerWaalsContact C-N 3.34Å; Q327-Q329 PolarHBondContact O-N 3.43Å; Q327-S330 WeakPolarHBondContact O-CB 3.4Å; Q327-S330 PolarHBondContact O-N 2.69Å; Q327-L331 WeakPolarHBondContact O-CB 3.4Å; Q327-L331 PolarHBondContact O-N 2.94Å
328Y86.8Confident82.8Confident45 Ų4563.9 Ų63.918%0.17635%0.35CS..Hα-helixtrans-66-34.2176.6-77.2-70.1000112.5I22 L324 A325 L331 L332 A726 M729 L733I22-Y328 WeakPolarHBondContact CD1-OH 3.3Å; L324-Y328 WeakPolarHBondContact O-CD2 3.32Å; L324-Y328 PolarHBondContact O-N 2.94Å; A325-Y328 PolarHBondContact O-N 3.04Å; Y328-L331 HydrophobicContact CD1-CD2 4.3Å; Y328-L331 PolarHBondContact O-N 2.97Å; Y328-L332 WeakPolarHBondContact O-CB 3.21Å; Y328-L332 WeakPolarHBondContact O-CG 3.29Å; Y328-L332 PolarHBondContact O-N 3.19Å; Y328-A726 HydrophobicContact CD1-CB 4.19Å; Y328-M729 HydrophobicContact CD1-CB 4.2Å; Y328-M729 HydrophobicContact CD2-CB 4.46Å; Y328-M729 HydrophobicContact CE1-CB 4.06Å; Y328-M729 HydrophobicContact CE1-CG 4.29Å; Y328-M729 HydrophobicContact CE2-CB 4.33Å; Y328-M729 HydrophobicContact CE2-CE 3.96Å; Y328-M729 HydrophobicContact CG-CB 4.4Å; Y328-L733 HydrophobicContact CD2-CD1 3.43Å; Y328-L733 VanDerWaalsContact CD2-CD1 3.43Å; Y328-L733 HydrophobicContact CE2-CD1 3.87Å; Y328-L733 HydrophobicContact CG-CD1 4.43Å
329Q88.8Confident82.3Confident78 Ų7863.8 Ų63.836%0.36435%0.352SS..Hα-helixtrans-63.1-45.7170.8-174.967.568.900111.2A325 Q327 L331 L332 N333 L730A325-Q329 VanDerWaalsContact O-CB 3.27Å; A325-Q329 WeakPolarHBondContact O-CB 3.43Å; A325-Q329 PolarHBondContact O-N 3.15Å; Q327-Q329 VanDerWaalsContact C-N 3.34Å; Q327-Q329 PolarHBondContact O-N 3.43Å; Q329-L331 VanDerWaalsContact C-N 3.28Å; Q329-L331 PolarHBondContact O-N 2.97Å; Q329-L332 PolarHBondContact O-N 3.05Å; Q329-N333 PolarHBondContact NE2-OD1 3.39Å; Q329-N333 WeakPolarHBondContact O-CB 3.34Å; Q329-N333 PolarHBondContact O-N 3.04Å; Q329-N333 PolarHBondContact O-OD1 3.48Å; Q329-L730 HydrophobicContact CB-CD2 4.41Å; Q329-L730 VanDerWaalsContact OE1-CD2 3.31Å
330S86.4Confident81.6Confident77 Ų7766.4 Ų66.454%0.53836%0.363SS..Hα-helixtrans-61.6-37.8175.2-169.20000112.1A326 Q327 N333 S334A326-S330 WeakPolarHBondContact O-CB 3.33Å; A326-S330 PolarHBondContact O-N 2.88Å; Q327-S330 WeakPolarHBondContact O-CB 3.4Å; Q327-S330 PolarHBondContact O-N 2.69Å; S330-N333 PolarHBondContact O-N 3.32Å; S330-S334 PolarHBondContact O-N 2.81Å
331L83.5Confident81.7Confident61 Ų6166.5 Ų66.532%0.31937%0.372SS..Hα-helixtrans-67.1-44.8177.7-169.268.9000111.4Q327 Y328 Q329 N333 S334 Y335 A726Q327-L331 WeakPolarHBondContact O-CB 3.4Å; Q327-L331 PolarHBondContact O-N 2.94Å; Y328-L331 HydrophobicContact CD1-CD2 4.3Å; Y328-L331 PolarHBondContact O-N 2.97Å; Q329-L331 VanDerWaalsContact C-N 3.28Å; Q329-L331 PolarHBondContact O-N 2.97Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 2.87Å; L331-S334 PolarHBondContact O-N 3.45Å; L331-S334 VanDerWaalsContact O-N 3.1Å; L331-S334 PolarHBondContact O-OG 2.86Å; L331-Y335 HydrophobicContact CD1-CE1 4.21Å; L331-Y335 HydrophobicContact CD1-CE2 4.2Å; L331-Y335 HydrophobicContact CD2-CE2 3.94Å; L331-Y335 HydrophobicContact CG-CD2 4.3Å; L331-Y335 HydrophobicContact CG-CE1 4.48Å; L331-Y335 HydrophobicContact CG-CE2 3.62Å; L331-Y335 PolarHBondContact O-N 3.4Å; L331-A726 HydrophobicContact CD2-CB 4.17Å
332L82.9Confident81.7Confident23 Ų2370.2 Ų70.212%0.1239%0.388CS..Hα-helixtrans-61.2-42173.1-74.4170.2000111.9Y328 Q329 S334 Y335 G336 R723 A726 A727 L730Y328-L332 WeakPolarHBondContact O-CB 3.21Å; Y328-L332 WeakPolarHBondContact O-CG 3.29Å; Y328-L332 PolarHBondContact O-N 3.19Å; Q329-L332 PolarHBondContact O-N 3.05Å; L332-S334 PolarHBondContact O-N 2.92Å; L332-Y335 CarbonylContact O-C 3.6Å; L332-Y335 PolarHBondContact O-N 2.85Å; L332-Y335 VanDerWaalsContact O-N 3.16Å; L332-G336 PolarHBondContact O-N 3.38Å; L332-R723 HydrophobicContact CD2-CG 3.71Å; L332-R723 WeakPolarHBondContact CD2-O 3.35Å; L332-A726 HydrophobicContact CD2-CB 3.74Å; L332-A726 HydrophobicContact CG-CB 4.01Å; L332-A727 HydrophobicContact CD1-CB 4.35Å; L332-A727 HydrophobicContact CD2-CB 4.03Å; L332-L730 HydrophobicContact CD1-CB 4.03Å; L332-L730 HydrophobicContact CD1-CD2 3.5Å; L332-L730 HydrophobicContact CD1-CG 4.4Å
333N81.4Confident81.8Confident109 Ų10968.8 Ų68.858%0.58338%0.384SS*.Hα-helixtrans-61.6-33.7174.8-64.85000111.5Q329 S330 L331 G336Q329-N333 PolarHBondContact NE2-OD1 3.39Å; Q329-N333 WeakPolarHBondContact O-CB 3.34Å; Q329-N333 PolarHBondContact O-N 3.04Å; Q329-N333 PolarHBondContact O-OD1 3.48Å; S330-N333 PolarHBondContact O-N 3.32Å; L331-N333 VanDerWaalsContact C-N 3.33Å; L331-N333 PolarHBondContact O-N 2.87Å; N333-G336 PolarHBondContact O-N 3.33Å
334S77.1Confident81.7Confident48 Ų4867.7 Ų67.734%0.33638%0.383SS..Hα-helixtrans-73.3-31.8174.776.30000113.8S330 L331 L332S330-S334 PolarHBondContact O-N 2.81Å; L331-S334 PolarHBondContact O-N 3.45Å; L331-S334 VanDerWaalsContact O-N 3.1Å; L331-S334 PolarHBondContact O-OG 2.86Å; L332-S334 PolarHBondContact O-N 2.92Å
335Y73Confident81.8Confident38 Ų3868.2 Ų68.215%0.14939%0.387CS..Hα-helixtrans-77.6-12.5169.9-58.7-26.6000112.6L331 L332 R469 M719 R722 R723 A726L331-Y335 HydrophobicContact CD1-CE1 4.21Å; L331-Y335 HydrophobicContact CD1-CE2 4.2Å; L331-Y335 HydrophobicContact CD2-CE2 3.94Å; L331-Y335 HydrophobicContact CG-CD2 4.3Å; L331-Y335 HydrophobicContact CG-CE1 4.48Å; L331-Y335 HydrophobicContact CG-CE2 3.62Å; L331-Y335 PolarHBondContact O-N 3.4Å; L332-Y335 CarbonylContact O-C 3.6Å; L332-Y335 PolarHBondContact O-N 2.85Å; L332-Y335 VanDerWaalsContact O-N 3.16Å; Y335-R469 VanDerWaalsContact O-CD 3.23Å; Y335-R469 WeakPolarHBondContact O-CD 3.17Å; Y335-R469 PolarHBondContact O-NE 3.4Å; Y335-R469 VanDerWaalsContact O-NE 3.15Å; Y335-R469 PolarHBondContact O-NH1 2.88Å; Y335-M719 HydrophobicContact CD1-CE 3.64Å; Y335-M719 HydrophobicContact CE1-CE 4.09Å; Y335-M719 HydrophobicContact CG-CE 4.4Å; Y335-R722 HydrophobicContact CE2-CB 4.17Å; Y335-R723 HydrophobicContact CD2-CB 3.99Å; Y335-R723 HydrophobicContact CD2-CG 4.31Å; Y335-R723 HydrophobicContact CG-CB 4.48Å; Y335-A726 HydrophobicContact CE2-CB 4.39Å
336G69.6Low81.9Confident20 Ų2067.4 Ų67.421%0.20638%0.38CS..  trans70171.8176.900000114.9L332 N333L332-G336 PolarHBondContact O-N 3.38Å; N333-G336 PolarHBondContact O-N 3.33Å
337E69.8Low81.9Confident162 Ų16267.8 Ų67.876%0.75737%0.373SS*.  trans-74.4156.5-175.2-68.1174.8175.100112.1R469E337-R469 PolarHBondContact O-NH1 2.88Å; E337-R469 PolarHBondContact O-NH2 3.33Å
338P67.8Low81.9Confident82 Ų8267.5 Ų67.553%0.53237%0.372SS..  trans-55.3141.6165.926.6-35.2000110.1D340P338-D340 PolarHBondContact O-N 3.37Å; P338-D340 VanDerWaalsContact O-N 3.07Å
339V72.9Confident81.9Confident33 Ų3365.7 Ų65.720%0.237%0.365CS..  trans-82.590.7-177-176.50000109.9K342 T345 F470 L713V339-K342 HydrophobicContact CG1-CB 4.36Å; V339-K342 HydrophobicContact CG1-CG 3.86Å; V339-T345 HydrophobicContact CG1-CG2 4.19Å; V339-T345 HydrophobicContact CG2-CG2 4.31Å; V339-F470 HydrophobicContact CG2-CE1 4.13Å; V339-F470 HydrophobicContact CG2-CZ 3.57Å; V339-L713 HydrophobicContact CG1-CD1 4.48Å
340D72.6Confident82.1Confident142 Ų14262 Ų6276%0.75935%0.348SS*.SBendtrans-70.5-55173.5-64.6-31.6000110.5P338 K342P338-D340 PolarHBondContact O-N 3.37Å; P338-D340 VanDerWaalsContact O-N 3.07Å; D340-K342 PolarHBondContact O-N 3.34Å
341D84.8Confident82.3Confident116 Ų11660.8 Ų60.862%0.6234%0.337SS*.  trans-100.779.6-179.3-80.7-40.2000113S343 A344 T345D341-S343 VanDerWaalsContact C-N 3.28Å; D341-S343 PolarHBondContact O-N 2.88Å; D341-S343 VanDerWaalsContact O-N 3.14Å; D341-A344 HydrophobicContact CB-CB 3.97Å; D341-A344 PolarHBondContact O-N 2.89Å; D341-A344 VanDerWaalsContact O-N 3.08Å; D341-T345 PolarHBondContact O-N 3.47Å; D341-T345 PolarHBondContact O-OG1 3.31Å
342K85.8Confident82.5Confident78 Ų7861.6 Ų61.634%0.33934%0.338SS..Hα-helixtrans-46.8-44.5-179.9-69.8-169.6-172.9-169.30114.7V339 D340 L346 D710 L713V339-K342 HydrophobicContact CG1-CB 4.36Å; V339-K342 HydrophobicContact CG1-CG 3.86Å; D340-K342 PolarHBondContact O-N 3.34Å; K342-L346 WeakPolarHBondContact O-CB 3.26Å; K342-L346 PolarHBondContact O-N 2.89Å; K342-D710 IonicContact NZ-OD1 3.3Å; K342-D710 PolarHBondContact NZ-OD1 3.19Å; K342-L713 HydrophobicContact CB-CD1 3.67Å; K342-L713 HydrophobicContact CG-CD1 4.03Å; K342-L713 VanDerWaalsContact O-CD1 3.22Å; K342-L713 WeakPolarHBondContact O-CD1 3.48Å
343S88.9Confident82.9Confident44 Ų4460.9 Ų60.931%0.30833%0.334SS..Hα-helixtrans-66.4-43.1-179.151.60000112.5D341 L347D341-S343 VanDerWaalsContact C-N 3.28Å; D341-S343 PolarHBondContact O-N 2.88Å; D341-S343 VanDerWaalsContact O-N 3.14Å; S343-L347 PolarHBondContact O-N 3.39Å; S343-L347 VanDerWaalsContact O-N 3.17Å
344A89.1Confident83.4Confident53 Ų5355.9 Ų55.944%0.43831%0.308SS..Hα-helixtrans-67.6-44.9178.400000111.2D341 L346 L347 Q348D341-A344 HydrophobicContact CB-CB 3.97Å; D341-A344 PolarHBondContact O-N 2.89Å; D341-A344 VanDerWaalsContact O-N 3.08Å; A344-L346 PolarHBondContact O-N 3.28Å; A344-L347 PolarHBondContact O-N 2.95Å; A344-Q348 WeakPolarHBondContact O-CB 3.21Å; A344-Q348 PolarHBondContact O-N 3.33Å
345T88.1Confident84Confident31 Ų3156.7 Ų56.719%0.1931%0.311CS..Hα-helixtrans-60.3-45.9176.6-58.50000111.7V339 D341 L347 Q348 L349V339-T345 HydrophobicContact CG1-CG2 4.19Å; V339-T345 HydrophobicContact CG2-CG2 4.31Å; D341-T345 PolarHBondContact O-N 3.47Å; D341-T345 PolarHBondContact O-OG1 3.31Å; T345-L347 PolarHBondContact O-N 2.89Å; T345-Q348 PolarHBondContact O-N 2.94Å; T345-L349 HydrophobicContact CG2-CD1 3.91Å; T345-L349 HydrophobicContact CG2-CG 4.33Å; T345-L349 VanDerWaalsContact O-CG 3.28Å; T345-L349 WeakPolarHBondContact O-CG 3.25Å; T345-L349 PolarHBondContact O-N 3.02Å
346L90.4Very high84.7Confident0 Ų056 Ų560%031%0.309CS..Hα-helixtrans-58.8-46.9176.6178.561.2000112K342 A344 Q348 L349 I350 L473 Y704 L709 L713K342-L346 WeakPolarHBondContact O-CB 3.26Å; K342-L346 PolarHBondContact O-N 2.89Å; A344-L346 PolarHBondContact O-N 3.28Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 3.46Å; L346-L349 PolarHBondContact O-N 2.74Å; L346-I350 HydrophobicContact CD1-CD1 3.78Å; L346-I350 HydrophobicContact CD1-CG1 4.09Å; L346-I350 HydrophobicContact CD2-CD1 4.45Å; L346-I350 HydrophobicContact CG-CD1 3.82Å; L346-I350 HydrophobicContact CG-CG1 4.48Å; L346-I350 WeakPolarHBondContact O-CG1 3.22Å; L346-I350 PolarHBondContact O-N 3.42Å; L346-L473 HydrophobicContact CD1-CD1 3.36Å; L346-L473 HydrophobicContact CD1-CD2 3.68Å; L346-L473 HydrophobicContact CD1-CG 4.18Å; L346-Y704 HydrophobicContact CD2-CD2 4.22Å; L346-L709 HydrophobicContact CB-CD2 4.35Å; L346-L709 HydrophobicContact CD2-CD2 3.39Å; L346-L709 HydrophobicContact CG-CD2 4.5Å; L346-L713 HydrophobicContact CB-CD1 4.33Å
347L91.1Very high85.8Confident71 Ų7155 Ų5537%0.37230%0.299SS..Hα-helixtrans-63.7-39180-17564.3000111.6S343 A344 T345 T351 V700S343-L347 PolarHBondContact O-N 3.39Å; S343-L347 VanDerWaalsContact O-N 3.17Å; A344-L347 PolarHBondContact O-N 2.95Å; T345-L347 PolarHBondContact O-N 2.89Å; L347-T351 VanDerWaalsContact O-CB 3.26Å; L347-T351 WeakPolarHBondContact O-CB 3.34Å; L347-T351 PolarHBondContact O-N 3.35Å; L347-T351 PolarHBondContact O-OG1 3.19Å; L347-V700 HydrophobicContact CD1-CG2 3.95Å
348Q88.4Confident86.8Confident107 Ų10748.4 Ų48.450%0.527%0.27SS..Hα-helixtrans-64.2-44.5175.7-170.3-177.416.100111.7A344 T345 L346 T351 K352A344-Q348 WeakPolarHBondContact O-CB 3.21Å; A344-Q348 PolarHBondContact O-N 3.33Å; T345-Q348 PolarHBondContact O-N 2.94Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 3.46Å; Q348-T351 PolarHBondContact O-N 3.35Å; Q348-K352 WeakPolarHBondContact O-CB 3.34Å; Q348-K352 WeakPolarHBondContact O-CG 3.48Å; Q348-K352 PolarHBondContact O-N 3.46Å
349L88.8Confident87.9Confident6 Ų646 Ų463%0.03125%0.253CS..Hα-helixtrans-65.1-45.8178.8-68.9171.9000112T345 L346 T351 K352 F353 E466 L467 F470 L473 L713T345-L349 HydrophobicContact CG2-CD1 3.91Å; T345-L349 HydrophobicContact CG2-CG 4.33Å; T345-L349 VanDerWaalsContact O-CG 3.28Å; T345-L349 WeakPolarHBondContact O-CG 3.25Å; T345-L349 PolarHBondContact O-N 3.02Å; L346-L349 PolarHBondContact O-N 2.74Å; L349-T351 PolarHBondContact O-N 2.71Å; L349-K352 PolarHBondContact O-N 2.77Å; L349-F353 WeakPolarHBondContact O-CB 3.3Å; L349-F353 PolarHBondContact O-N 2.83Å; L349-E466 HydrophobicContact CD2-CB 3.77Å; L349-E466 WeakPolarHBondContact CD2-OE2 3.31Å; L349-L467 HydrophobicContact CB-CD2 4.15Å; L349-L467 HydrophobicContact CD1-CD2 4.41Å; L349-L467 HydrophobicContact CD2-CD2 4.48Å; L349-L467 HydrophobicContact CD2-CG 4.29Å; L349-F470 HydrophobicContact CD1-CD2 3.82Å; L349-F470 HydrophobicContact CD1-CE2 3.9Å; L349-L473 HydrophobicContact CB-CD2 4.31Å; L349-L473 HydrophobicContact CD1-CD2 3.7Å; L349-L713 HydrophobicContact CD1-CD2 4.34Å
350I91.1Very high88.7Confident0 Ų045.1 Ų45.10%025%0.248CC..Hα-helixtrans-59.6-47.1174.9-70.1170.9000110.5L346 F353 A354 L699 V700 L703L346-I350 HydrophobicContact CD1-CD1 3.78Å; L346-I350 HydrophobicContact CD1-CG1 4.09Å; L346-I350 HydrophobicContact CD2-CD1 4.45Å; L346-I350 HydrophobicContact CG-CD1 3.82Å; L346-I350 HydrophobicContact CG-CG1 4.48Å; L346-I350 WeakPolarHBondContact O-CG1 3.22Å; L346-I350 PolarHBondContact O-N 3.42Å; I350-F353 PolarHBondContact O-N 3.35Å; I350-A354 WeakPolarHBondContact O-CB 3.33Å; I350-A354 PolarHBondContact O-N 3.43Å; I350-L699 HydrophobicContact CG2-CB 3.68Å; I350-L699 HydrophobicContact CG2-CD1 4.22Å; I350-V700 HydrophobicContact CG2-CG2 3.92Å; I350-L703 HydrophobicContact CD1-CB 3.91Å; I350-L703 HydrophobicContact CD1-CD1 4.12Å; I350-L703 HydrophobicContact CG1-CD1 4.39Å
351T91Very high89.6Confident52 Ų5239.3 Ų39.332%0.31922%0.216SC..Hα-helixtrans-66-40.7-178.1-55.40000111.9L347 Q348 L349 T355 Q696L347-T351 VanDerWaalsContact O-CB 3.26Å; L347-T351 WeakPolarHBondContact O-CB 3.34Å; L347-T351 PolarHBondContact O-N 3.35Å; L347-T351 PolarHBondContact O-OG1 3.19Å; Q348-T351 PolarHBondContact O-N 3.35Å; L349-T351 PolarHBondContact O-N 2.71Å; T351-T355 VanDerWaalsContact O-CB 3.3Å; T351-T355 WeakPolarHBondContact O-CB 3.34Å; T351-T355 PolarHBondContact O-N 3.49Å; T351-T355 PolarHBondContact O-OG1 3.33Å; T351-Q696 PolarHBondContact OG1-NE2 3.12Å
352K88.4Confident89.9Confident78 Ų7838.7 Ų38.734%0.33921%0.21SC..Hα-helixtrans-57.9-50.8171.5-79.9179.9178.2177.80110.9Q348 L349 T355 E356 E466Q348-K352 WeakPolarHBondContact O-CB 3.34Å; Q348-K352 WeakPolarHBondContact O-CG 3.48Å; Q348-K352 PolarHBondContact O-N 3.46Å; L349-K352 PolarHBondContact O-N 2.77Å; K352-T355 PolarHBondContact O-N 2.95Å; K352-E356 WeakPolarHBondContact O-CG 3.38Å; K352-E356 PolarHBondContact O-N 2.9Å; K352-E466 IonicContact NZ-OE1 2.69Å; K352-E466 PolarHBondContact NZ-OE1 3.37Å; K352-E466 IonicContact NZ-OE2 2.86Å; K352-E466 PolarHBondContact NZ-OE2 3.16Å
353F90.4Very high90Very high8 Ų837.1 Ų37.14%0.03522%0.216CC..Hα-helixtrans-59.4-50.5-179.9173.5-90.2000112L349 I350 T355 E356 Y357 I456 C459 L467 I477 V481 L699L349-F353 WeakPolarHBondContact O-CB 3.3Å; L349-F353 PolarHBondContact O-N 2.83Å; I350-F353 PolarHBondContact O-N 3.35Å; F353-T355 VanDerWaalsContact C-N 3.32Å; F353-T355 PolarHBondContact O-N 3.45Å; F353-E356 PolarHBondContact O-N 2.92Å; F353-Y357 HydrophobicContact CZ-CD2 4.28Å; F353-Y357 WeakPolarHBondContact O-CB 3.44Å; F353-Y357 PolarHBondContact O-N 3.48Å; F353-I456 HydrophobicContact CZ-CG2 4.34Å; F353-C459 HydrophobicContact CE2-CB 4.06Å; F353-L467 HydrophobicContact CB-CD1 4.37Å; F353-L467 HydrophobicContact CD2-CD1 4.44Å; F353-I477 HydrophobicContact CD1-CG2 3.61Å; F353-I477 HydrophobicContact CD2-CG2 4.11Å; F353-I477 HydrophobicContact CE1-CG2 3.47Å; F353-I477 VanDerWaalsContact CE1-CG2 3.47Å; F353-I477 HydrophobicContact CE2-CG2 3.97Å; F353-I477 HydrophobicContact CG-CG2 3.94Å; F353-I477 HydrophobicContact CZ-CG2 3.66Å; F353-V481 HydrophobicContact CE1-CG2 3.82Å; F353-V481 HydrophobicContact CZ-CG2 4.15Å; F353-L699 HydrophobicContact CD1-CD1 3.8Å; F353-L699 HydrophobicContact CE1-CD1 4.06Å
354A91.8Very high89.8Confident4 Ų438.9 Ų38.93%0.03323%0.225CC..Hα-helixtrans-63.9-37.7-179.300000112.2I350 C358 L695 Q696 L699I350-A354 WeakPolarHBondContact O-CB 3.33Å; I350-A354 PolarHBondContact O-N 3.43Å; A354-C358 WeakPolarHBondContact O-CB 3.47Å; A354-C358 PolarHBondContact O-N 3.07Å; A354-C358 PolarHBondContact O-SG 2.79Å; A354-L695 HydrophobicContact CB-CD2 4.23Å; A354-L695 HydrophobicContact CB-CG 4.35Å; A354-Q696 HydrophobicContact CB-CB 4.21Å; A354-L699 HydrophobicContact CB-CD1 4.43Å
355T90.8Very high89.4Confident65 Ų6537 Ų3740%0.39921%0.209SC..Hα-helixtrans-61.4-51.4175-580000110.9T351 K352 F353 C358 N359T351-T355 VanDerWaalsContact O-CB 3.3Å; T351-T355 WeakPolarHBondContact O-CB 3.34Å; T351-T355 PolarHBondContact O-N 3.49Å; T351-T355 PolarHBondContact O-OG1 3.33Å; K352-T355 PolarHBondContact O-N 2.95Å; F353-T355 VanDerWaalsContact C-N 3.32Å; F353-T355 PolarHBondContact O-N 3.45Å; T355-C358 PolarHBondContact O-N 3.3Å; T355-N359 WeakPolarHBondContact O-CB 3.28Å; T355-N359 PolarHBondContact O-N 2.83Å; T355-N359 PolarHBondContact O-ND2 3.47Å; T355-N359 PolarHBondContact O-OD1 2.94Å
356E88.4Confident88.6Confident24 Ų2443 Ų4311%0.11223%0.232CC..Hα-helixtrans-69-35-178.5-61.4-64.716400111.9K352 F353 N359 T360 K366K352-E356 WeakPolarHBondContact O-CG 3.38Å; K352-E356 PolarHBondContact O-N 2.9Å; F353-E356 PolarHBondContact O-N 2.92Å; E356-N359 PolarHBondContact O-N 3.26Å; E356-T360 PolarHBondContact O-N 3.14Å; E356-T360 PolarHBondContact O-OG1 3.02Å; E356-T360 VanDerWaalsContact O-OG1 3.11Å; E356-K366 IonicContact OE1-NZ 3.86Å; E356-K366 PolarHBondContact OE1-NZ 2.89Å
357Y91Very high87.5Confident0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-59.5-47172.5-173.7-91.9000112.3F353 T360 I361 M452 I455 I456 V481 V691 L695F353-Y357 HydrophobicContact CZ-CD2 4.28Å; F353-Y357 WeakPolarHBondContact O-CB 3.44Å; F353-Y357 PolarHBondContact O-N 3.48Å; Y357-T360 PolarHBondContact O-N 3.37Å; Y357-I361 HydrophobicContact CD1-CD1 3.71Å; Y357-I361 HydrophobicContact CE1-CD1 3.34Å; Y357-I361 HydrophobicContact CE1-CG1 4.46Å; Y357-I361 WeakPolarHBondContact O-CG1 3.43Å; Y357-I361 PolarHBondContact O-N 2.76Å; Y357-M452 HydrophobicContact CE1-CE 4.36Å; Y357-M452 PolarHBondContact OH-O 3.32Å; Y357-I455 HydrophobicContact CD2-CG2 3.67Å; Y357-I455 HydrophobicContact CE2-CB 3.98Å; Y357-I455 HydrophobicContact CE2-CG2 3.61Å; Y357-I455 HydrophobicContact CG-CG2 4.41Å; Y357-I456 HydrophobicContact CE2-CG1 3.73Å; Y357-V481 HydrophobicContact CE2-CG1 4.37Å; Y357-V691 HydrophobicContact CE1-CG1 4.16Å; Y357-L695 HydrophobicContact CD1-CD2 3.27Å; Y357-L695 HydrophobicContact CE1-CD2 3.9Å; Y357-L695 HydrophobicContact CG-CD2 3.74Å
358C92Very high86.6Confident22 Ų2252.7 Ų52.715%0.14927%0.273CS..Hα-helixtrans-62.5-42.1174.4-700000111.7A354 T355 T360 I361 E362 K692A354-C358 WeakPolarHBondContact O-CB 3.47Å; A354-C358 PolarHBondContact O-N 3.07Å; A354-C358 PolarHBondContact O-SG 2.79Å; T355-C358 PolarHBondContact O-N 3.3Å; C358-T360 PolarHBondContact O-N 2.77Å; C358-I361 PolarHBondContact O-N 2.77Å; C358-E362 PolarHBondContact O-N 3.08Å; C358-K692 HydrophobicContact CB-CG 4.18Å; C358-K692 VanDerWaalsContact SG-CG 3.52Å
359N90.6Very high85.5Confident33 Ų3351.2 Ų51.218%0.17627%0.266CS..Hα-helixtrans-65.1-36.2178.1-62.9-16.2000112.4T355 E356 E362 G363 T364 A365T355-N359 WeakPolarHBondContact O-CB 3.28Å; T355-N359 PolarHBondContact O-N 2.83Å; T355-N359 PolarHBondContact O-ND2 3.47Å; T355-N359 PolarHBondContact O-OD1 2.94Å; E356-N359 PolarHBondContact O-N 3.26Å; N359-E362 PolarHBondContact O-N 3.13Å; N359-G363 CarbonylContact O-C 3.59Å; N359-G363 PolarHBondContact O-N 3.29Å; N359-T364 WeakPolarHBondContact CA-OG1 3.49Å; N359-T364 PolarHBondContact O-N 3.04Å; N359-T364 PolarHBondContact O-OG1 3.39Å; N359-A365 HydrophobicContact CB-CB 4.14Å; N359-A365 PolarHBondContact O-N 3.2Å
360T90.3Very high84.9Confident14 Ų1457.9 Ų57.99%0.08631%0.307CS..Hα-helixtrans-68.6-33175.6-60.40000112.1E356 Y357 C358 G376 I455E356-T360 PolarHBondContact O-N 3.14Å; E356-T360 PolarHBondContact O-OG1 3.02Å; E356-T360 VanDerWaalsContact O-OG1 3.11Å; Y357-T360 PolarHBondContact O-N 3.37Å; C358-T360 PolarHBondContact O-N 2.77Å; T360-G376 PolarHBondContact O-N 3.41Å; T360-G376 VanDerWaalsContact O-N 3.09Å; T360-I455 HydrophobicContact CG2-CG1 4.33Å; T360-I455 HydrophobicContact CG2-CG2 3.68Å
361I91.6Very high83.7Confident19 Ų1963 Ų6310%0.09734%0.343CS..Hα-helixtrans-69-36.9171.2-68.5166.8000111.4Y357 C358 G376 M452 I455 V688Y357-I361 HydrophobicContact CD1-CD1 3.71Å; Y357-I361 HydrophobicContact CE1-CD1 3.34Å; Y357-I361 HydrophobicContact CE1-CG1 4.46Å; Y357-I361 WeakPolarHBondContact O-CG1 3.43Å; Y357-I361 PolarHBondContact O-N 2.76Å; C358-I361 PolarHBondContact O-N 2.77Å; I361-G376 WeakPolarHBondContact O-CA 3.48Å; I361-M452 HydrophobicContact CD1-CE 3.67Å; I361-M452 HydrophobicContact CD1-SD 3.86Å; I361-M452 HydrophobicContact CG1-SD 4.12Å; I361-I455 HydrophobicContact CG1-CD1 3.73Å; I361-V688 HydrophobicContact CG2-CG1 3.64Å
362E90.1Very high83.3Confident103 Ų10366.7 Ų66.748%0.48136%0.357SS..Hα-helixtrans-79.3-19.2177.5-71.2-173.5164.300114.1C358 N359 T364 K692C358-E362 PolarHBondContact O-N 3.08Å; N359-E362 PolarHBondContact O-N 3.13Å; E362-T364 VanDerWaalsContact C-N 3.35Å; E362-T364 HydrophobicContact CB-CG2 4.06Å; E362-T364 WeakPolarHBondContact CB-OG1 3.34Å; E362-T364 PolarHBondContact OE2-OG1 2.93Å; E362-K692 VanDerWaalsContact OE1-CE 3.27Å; E362-K692 WeakPolarHBondContact OE1-CE 3.41Å; E362-K692 IonicContact OE1-NZ 2.63Å; E362-K692 PolarHBondContact OE1-NZ 2.85Å
363G87.1Confident83.1Confident45 Ų4566.7 Ų66.746%0.46436%0.36SS..THydrogen-bonded Turntrans78.418.1-169.700000113.9N359N359-G363 CarbonylContact O-C 3.59Å; N359-G363 PolarHBondContact O-N 3.29Å
364T86.4Confident82.8Confident82 Ų8268 Ų6850%0.50337%0.37SS..  trans-102.85.9-179.654.50000113.1N359 E362N359-T364 WeakPolarHBondContact CA-OG1 3.49Å; N359-T364 PolarHBondContact O-N 3.04Å; N359-T364 PolarHBondContact O-OG1 3.39Å; E362-T364 VanDerWaalsContact C-N 3.35Å; E362-T364 HydrophobicContact CB-CG2 4.06Å; E362-T364 WeakPolarHBondContact CB-OG1 3.34Å; E362-T364 PolarHBondContact OE2-OG1 2.93Å
365A79.4Confident82.6Confident12 Ų1267.9 Ų67.910%0.09937%0.369CS..  trans-60.2145.6179.300000112.4N359 Y367 I368N359-A365 HydrophobicContact CB-CB 4.14Å; N359-A365 PolarHBondContact O-N 3.2Å; A365-Y367 PolarHBondContact O-N 2.8Å; A365-I368 WeakPolarHBondContact O-CG1 3.45Å
366K72Confident82.4Confident157 Ų15765.7 Ų65.768%0.68336%0.359SS*.SBendtrans-67.3-27.4-179.6-63.9174.1-169.9125.60113.2E356E356-K366 IonicContact OE1-NZ 3.86Å; E356-K366 PolarHBondContact OE1-NZ 2.89Å
367Y65.8Low82.5Confident153 Ų15367.2 Ų67.260%0.638%0.376SS*.  trans-112.895.5178.9-68.4-84.4000108.3A365A365-Y367 PolarHBondContact O-N 2.8Å
368I72.1Confident82.7Confident122 Ų12270.3 Ų70.363%0.62639%0.388SS*.  trans-93.9110.3173.1-57.2179.5000107.3A365 T370A365-I368 WeakPolarHBondContact O-CG1 3.45Å; I368-T370 PolarHBondContact O-N 2.96Å
369E67.1Low82.8Confident76 Ų7669.3 Ų69.336%0.35538%0.381SS..  trans-69128.3174.3178.5161.8-133.100110.5H458 Y462E369-H458 IonicContact OE2-CE1 3.14Å; E369-H458 PolarHBondContact OE2-CE1 3.25Å; E369-H458 IonicContact OE2-ND1 2.78Å; E369-H458 PolarHBondContact OE2-ND1 3.04Å; E369-Y462 PolarHBondContact OE1-OH 3.28Å; E369-Y462 VanDerWaalsContact OE1-OH 3.08Å; E369-Y462 PolarHBondContact OE2-OH 2.75Å
370T75.4Confident83Confident146 Ų14670.7 Ų70.790%0.89639%0.393SS*.SBendtrans-94.90.4-178.547.80000113.4I368I368-T370 PolarHBondContact O-N 2.96Å
371S66.7Low83.3Confident108 Ų10874.7 Ų74.776%0.75541%0.407SS*.SBendtrans-89.6-42-173.8-161.30000113.7
372E81.3Confident83.5Confident129 Ų12974.1 Ų74.160%0.60340%0.404SS*.SBendtrans-132.9148.5178.8-176.1168.1176.500110.7C374E372-C374 PolarHBondContact O-N 3.21Å
373L84.8Confident83.9Confident79 Ų7969.7 Ų69.741%0.41438%0.383SS..  trans-76.2103.3174.3-172.473.8000109.8A377 R378 Y381L373-A377 HydrophobicContact CD1-CB 3.6Å; L373-A377 HydrophobicContact CG-CB 4.41Å; L373-R378 HydrophobicContact CG-CB 4.23Å; L373-R378 VanDerWaalsContact O-CB 3.29Å; L373-R378 WeakPolarHBondContact O-CB 3.31Å; L373-R378 VanDerWaalsContact O-CD 3.26Å; L373-R378 WeakPolarHBondContact O-CD 3.27Å; L373-R378 VanDerWaalsContact O-CG 3.26Å; L373-R378 WeakPolarHBondContact O-CG 3.32Å; L373-Y381 HydrophobicContact CD2-CD2 4.14Å; L373-Y381 HydrophobicContact CD2-CG 4.03Å
374C84.2Confident84.1Confident36 Ų3673.3 Ų73.324%0.24339%0.388CS..  trans-118.1171.6177.262.80000112.7E372 E451E372-C374 PolarHBondContact O-N 3.21Å; C374-E451 WeakPolarHBondContact CA-OE1 3.49Å
375G87Confident84.5Confident1 Ų173.1 Ų73.11%0.0138%0.381CS..Hα-helixtrans69.6-144.1168.400000114.3A377 R378 I379 E451G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 3.16Å; G375-R378 WeakPolarHBondContact O-CB 3.43Å; G375-R378 PolarHBondContact O-N 3.26Å; G375-R378 VanDerWaalsContact O-N 3.07Å; G375-I379 PolarHBondContact O-N 2.96Å; G375-E451 PolarHBondContact N-OE1 3.04Å
376G87.9Confident85.2Confident19 Ų1974.5 Ų74.520%0.19639%0.388CS..Hα-helixtrans-54.6-40.9-177.600000114.6T360 I361 R378 I379 C380T360-G376 PolarHBondContact O-N 3.41Å; T360-G376 VanDerWaalsContact O-N 3.09Å; I361-G376 WeakPolarHBondContact O-CA 3.48Å; G376-R378 VanDerWaalsContact C-N 3.34Å; G376-R378 PolarHBondContact O-N 2.94Å; G376-I379 PolarHBondContact O-N 3.03Å; G376-C380 PolarHBondContact O-N 3.39Å
377A90Very high86.4Confident56 Ų5667.3 Ų67.346%0.46336%0.357SS..Hα-helixtrans-69.3-32.9179.700000112.1L373 G375 C380 Y381L373-A377 HydrophobicContact CD1-CB 3.6Å; L373-A377 HydrophobicContact CG-CB 4.41Å; G375-A377 VanDerWaalsContact C-N 3.29Å; G375-A377 PolarHBondContact O-N 3.16Å; A377-C380 WeakPolarHBondContact O-CB 3.36Å; A377-C380 PolarHBondContact O-N 2.87Å; A377-Y381 PolarHBondContact O-N 2.85Å
378R94.2Very high87.7Confident64 Ų6460.5 Ų60.524%0.24233%0.334CS..Hα-helixtrans-70.3-40.1174-173.249.6166.8175.3-4.5112.5L373 G375 G376 C380 Y381 I382 E451L373-R378 HydrophobicContact CG-CB 4.23Å; L373-R378 VanDerWaalsContact O-CB 3.29Å; L373-R378 WeakPolarHBondContact O-CB 3.31Å; L373-R378 VanDerWaalsContact O-CD 3.26Å; L373-R378 WeakPolarHBondContact O-CD 3.27Å; L373-R378 VanDerWaalsContact O-CG 3.26Å; L373-R378 WeakPolarHBondContact O-CG 3.32Å; G375-R378 WeakPolarHBondContact O-CB 3.43Å; G375-R378 PolarHBondContact O-N 3.26Å; G375-R378 VanDerWaalsContact O-N 3.07Å; G376-R378 VanDerWaalsContact C-N 3.34Å; G376-R378 PolarHBondContact O-N 2.94Å; R378-C380 VanDerWaalsContact C-N 3.32Å; R378-C380 PolarHBondContact O-N 3.08Å; R378-Y381 VanDerWaalsContact NH1-CD1 3.29Å; R378-Y381 WeakPolarHBondContact O-CB 3.43Å; R378-Y381 PolarHBondContact O-N 2.88Å; R378-I382 HydrophobicContact CG-CD1 4.41Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 3.5Å; R378-E451 HydrophobicContact CB-CG 4.07Å; R378-E451 WeakPolarHBondContact CB-OE1 3.4Å; R378-E451 HydrophobicContact CG-CG 3.84Å; R378-E451 WeakPolarHBondContact CG-OE1 3.42Å; R378-E451 WeakPolarHBondContact CG-OE2 3.42Å
379I95.4Very high88.7Confident1 Ų162 Ų621%0.00533%0.331CS..Hα-helixtrans-59.9-43.8171.8-67.3164.7000110.3G375 G376 Y381 I382 F383 V448 E451 M452 I455 M684G375-I379 PolarHBondContact O-N 2.96Å; G376-I379 PolarHBondContact O-N 3.03Å; I379-Y381 VanDerWaalsContact C-N 3.35Å; I379-Y381 PolarHBondContact O-N 2.94Å; I379-I382 PolarHBondContact O-N 3.27Å; I379-F383 HydrophobicContact CG2-CD2 3.9Å; I379-F383 HydrophobicContact CG2-CE2 3.33Å; I379-F383 HydrophobicContact CG2-CZ 3.9Å; I379-F383 WeakPolarHBondContact O-CD2 3.43Å; I379-F383 PolarHBondContact O-N 3.4Å; I379-V448 HydrophobicContact CG1-CG1 4.4Å; I379-V448 HydrophobicContact CG2-CG1 4.31Å; I379-V448 HydrophobicContact CG2-CG2 4.46Å; I379-E451 HydrophobicContact CG1-CB 4.37Å; I379-E451 HydrophobicContact CG1-CG 3.86Å; I379-M452 HydrophobicContact CD1-CG 4.44Å; I379-M452 HydrophobicContact CD1-SD 3.85Å; I379-I455 HydrophobicContact CD1-CD1 4.2Å; I379-M684 HydrophobicContact CG2-CE 4.37Å
380C94.8Very high90.1Very high63 Ų6361.2 Ų61.243%0.42633%0.332SS..Hα-helixtrans-60.5-41.8175.1-169.90000112.7G376 A377 R378 F383 H384G376-C380 PolarHBondContact O-N 3.39Å; A377-C380 WeakPolarHBondContact O-CB 3.36Å; A377-C380 PolarHBondContact O-N 2.87Å; R378-C380 VanDerWaalsContact C-N 3.32Å; R378-C380 PolarHBondContact O-N 3.08Å; C380-F383 PolarHBondContact O-N 3.15Å; C380-H384 PolarHBondContact O-N 2.86Å; C380-H384 VanDerWaalsContact O-N 3.09Å; C380-H384 PolarHBondContact O-ND1 3.32Å
381Y95.8Very high91Very high98 Ų9854.2 Ų54.238%0.38429%0.289SS..Hα-helixtrans-63.1-39.9173.8-179.1-83000112.5L373 A377 R378 I379 F383 E385 T386L373-Y381 HydrophobicContact CD2-CD2 4.14Å; L373-Y381 HydrophobicContact CD2-CG 4.03Å; A377-Y381 PolarHBondContact O-N 2.85Å; R378-Y381 VanDerWaalsContact NH1-CD1 3.29Å; R378-Y381 WeakPolarHBondContact O-CB 3.43Å; R378-Y381 PolarHBondContact O-N 2.88Å; I379-Y381 VanDerWaalsContact C-N 3.35Å; I379-Y381 PolarHBondContact O-N 2.94Å; Y381-F383 VanDerWaalsContact C-N 3.35Å; Y381-F383 PolarHBondContact O-N 3.27Å; Y381-E385 HydrophobicContact CD1-CB 4.26Å; Y381-E385 HydrophobicContact CD2-CB 3.68Å; Y381-E385 HydrophobicContact CD2-CG 3.71Å; Y381-E385 HydrophobicContact CE1-CB 4.12Å; Y381-E385 HydrophobicContact CE2-CB 3.53Å; Y381-E385 HydrophobicContact CE2-CG 3.75Å; Y381-E385 HydrophobicContact CG-CB 4.04Å; Y381-E385 HydrophobicContact CG-CG 4.4Å; Y381-E385 WeakPolarHBondContact O-CA 3.33Å; Y381-E385 WeakPolarHBondContact O-CB 3.44Å; Y381-E385 PolarHBondContact O-N 3.16Å; Y381-T386 WeakPolarHBondContact CE1-OG1 3.25Å; Y381-T386 PolarHBondContact O-N 2.98Å
382I96.7Very high92.2Very high6 Ų654.8 Ų54.83%0.03128%0.28CS..Iπ-helixtrans-61.2-44.5175.5-69.8161.6000110.4R378 I379 T386 F387 L447 V448 E451R378-I382 HydrophobicContact CG-CD1 4.41Å; R378-I382 WeakPolarHBondContact O-CG1 3.46Å; R378-I382 PolarHBondContact O-N 3.5Å; I379-I382 PolarHBondContact O-N 3.27Å; I382-T386 WeakPolarHBondContact O-CB 3.43Å; I382-F387 VanDerWaalsContact O-CB 3.31Å; I382-F387 WeakPolarHBondContact O-CB 3.25Å; I382-F387 PolarHBondContact O-N 3Å; I382-L447 HydrophobicContact CD1-CB 4.36Å; I382-L447 HydrophobicContact CG2-CB 3.87Å; I382-L447 HydrophobicContact CG2-CD1 4.46Å; I382-V448 HydrophobicContact CB-CG2 4.42Å; I382-V448 HydrophobicContact CG2-CG2 3.8Å; I382-E451 HydrophobicContact CD1-CB 4Å; I382-E451 HydrophobicContact CD1-CG 4.45Å
383F96.8Very high92.8Very high11 Ų1152.7 Ų52.75%0.04828%0.28CS..Iπ-helixtrans-67.4-44.4-179.8-66.7-42.3000113.9I379 C380 Y381 G388 V448 P680 V683 M684I379-F383 HydrophobicContact CG2-CD2 3.9Å; I379-F383 HydrophobicContact CG2-CE2 3.33Å; I379-F383 HydrophobicContact CG2-CZ 3.9Å; I379-F383 WeakPolarHBondContact O-CD2 3.43Å; I379-F383 PolarHBondContact O-N 3.4Å; C380-F383 PolarHBondContact O-N 3.15Å; Y381-F383 VanDerWaalsContact C-N 3.35Å; Y381-F383 PolarHBondContact O-N 3.27Å; F383-G388 PolarHBondContact O-N 2.66Å; F383-V448 HydrophobicContact CD1-CG2 4.37Å; F383-V448 HydrophobicContact CE1-CG2 3.65Å; F383-V448 HydrophobicContact CZ-CG2 3.87Å; F383-P680 HydrophobicContact CB-CB 4.08Å; F383-P680 HydrophobicContact CB-CG 4.03Å; F383-P680 HydrophobicContact CD1-CB 3.62Å; F383-P680 HydrophobicContact CD1-CG 3.79Å; F383-P680 HydrophobicContact CD2-CB 4.05Å; F383-P680 HydrophobicContact CE1-CB 3.97Å; F383-P680 HydrophobicContact CE1-CG 4.46Å; F383-P680 HydrophobicContact CE2-CB 4.35Å; F383-P680 HydrophobicContact CG-CB 3.67Å; F383-P680 HydrophobicContact CG-CG 4.01Å; F383-P680 HydrophobicContact CZ-CB 4.33Å; F383-V683 HydrophobicContact CE1-CB 3.96Å; F383-V683 HydrophobicContact CE1-CG1 4.05Å; F383-V683 HydrophobicContact CE1-CG2 4.41Å; F383-V683 HydrophobicContact CZ-CB 3.91Å; F383-V683 HydrophobicContact CZ-CG1 3.83Å; F383-M684 HydrophobicContact CE2-CE 3.93Å; F383-M684 HydrophobicContact CE2-CG 3.89Å; F383-M684 HydrophobicContact CE2-SD 3.98Å; F383-M684 HydrophobicContact CZ-CG 4.25Å
384H92.6Very high93.2Very high121 Ų12149.7 Ų49.756%0.5627%0.265SS*.Iπ-helixtrans-93.9-55.6-173.1-58.890.5000112.7C380 G388C380-H384 PolarHBondContact O-N 2.86Å; C380-H384 VanDerWaalsContact O-N 3.09Å; C380-H384 PolarHBondContact O-ND1 3.32Å; H384-G388 VanDerWaalsContact O-CA 3.3Å; H384-G388 WeakPolarHBondContact O-CA 3.41Å; H384-G388 PolarHBondContact O-N 2.88Å
385E93.9Very high93.4Very high77 Ų7753 Ų5336%0.3628%0.279SS..Iπ-helixtrans-82.2-29.2-172.2-65.2-61.4155.800113.3Y381 R389Y381-E385 HydrophobicContact CD1-CB 4.26Å; Y381-E385 HydrophobicContact CD2-CB 3.68Å; Y381-E385 HydrophobicContact CD2-CG 3.71Å; Y381-E385 HydrophobicContact CE1-CB 4.12Å; Y381-E385 HydrophobicContact CE2-CB 3.53Å; Y381-E385 HydrophobicContact CE2-CG 3.75Å; Y381-E385 HydrophobicContact CG-CB 4.04Å; Y381-E385 HydrophobicContact CG-CG 4.4Å; Y381-E385 WeakPolarHBondContact O-CA 3.33Å; Y381-E385 WeakPolarHBondContact O-CB 3.44Å; Y381-E385 PolarHBondContact O-N 3.16Å; E385-R389 WeakPolarHBondContact O-CB 3.33Å; E385-R389 WeakPolarHBondContact O-CD 3.23Å; E385-R389 WeakPolarHBondContact O-CG 3.3Å; E385-R389 IonicContact OE2-CZ 3.27Å; E385-R389 IonicContact OE2-NE 3.6Å; E385-R389 PolarHBondContact OE2-NE 3.33Å; E385-R389 IonicContact OE2-NH2 2.76Å; E385-R389 PolarHBondContact OE2-NH2 3.4Å
386T94.8Very high93.6Very high42 Ų4253.8 Ų53.826%0.25828%0.284SS..Iπ-helixtrans-91.7-67.9176.8-48.60000110.5Y381 I382 R389 T390 L447Y381-T386 WeakPolarHBondContact CE1-OG1 3.25Å; Y381-T386 PolarHBondContact O-N 2.98Å; I382-T386 WeakPolarHBondContact O-CB 3.43Å; T386-R389 PolarHBondContact O-N 3.33Å; T386-T390 WeakPolarHBondContact O-CB 3.23Å; T386-T390 PolarHBondContact O-N 3.1Å; T386-T390 PolarHBondContact O-OG1 2.87Å; T386-L447 HydrophobicContact CG2-CD1 4.06Å
387F96.7Very high93.6Very high5 Ų555.6 Ų55.62%0.02229%0.289CS..Iπ-helixtrans-65.2-43.7-175.3173.9-116.9000113I382 R389 T390 L391 P440 C444 I675 V679 P680I382-F387 VanDerWaalsContact O-CB 3.31Å; I382-F387 WeakPolarHBondContact O-CB 3.25Å; I382-F387 PolarHBondContact O-N 3Å; F387-R389 PolarHBondContact O-N 3.47Å; F387-T390 PolarHBondContact O-N 3.42Å; F387-L391 HydrophobicContact CD2-CD1 4.28Å; F387-L391 HydrophobicContact CD2-CG 4.04Å; F387-L391 HydrophobicContact CE1-CD1 3.83Å; F387-L391 HydrophobicContact CE2-CD1 3.52Å; F387-L391 HydrophobicContact CE2-CD2 3.94Å; F387-L391 HydrophobicContact CE2-CG 3.63Å; F387-L391 HydrophobicContact CZ-CD1 3.28Å; F387-L391 HydrophobicContact CZ-CG 3.95Å; F387-L391 PolarHBondContact O-N 2.9Å; F387-P440 WeakPolarHBondContact CD2-O 2.97Å; F387-C444 HydrophobicContact CB-CB 4.13Å; F387-C444 HydrophobicContact CD2-CB 3.61Å; F387-C444 HydrophobicContact CE2-CB 4.1Å; F387-C444 HydrophobicContact CG-CB 3.87Å; F387-I675 HydrophobicContact CZ-CG2 4.32Å; F387-V679 HydrophobicContact CE1-CB 3.87Å; F387-V679 HydrophobicContact CE1-CG1 4.11Å; F387-V679 HydrophobicContact CZ-CB 3.76Å; F387-V679 HydrophobicContact CZ-CG1 3.87Å; F387-V679 HydrophobicContact CZ-CG2 4.11Å; F387-P680 HydrophobicContact CD1-CG 4.26Å; F387-P680 HydrophobicContact CE1-CG 4.28Å
388G93.4Very high93.4Very high11 Ų1153.6 Ų53.611%0.11327%0.274CS..Iπ-helixtrans-53.6-55.2174.300000112.3F383 H384 T390 L391 E392 Q676F383-G388 PolarHBondContact O-N 2.66Å; H384-G388 VanDerWaalsContact O-CA 3.3Å; H384-G388 WeakPolarHBondContact O-CA 3.41Å; H384-G388 PolarHBondContact O-N 2.88Å; G388-T390 PolarHBondContact O-N 2.88Å; G388-L391 PolarHBondContact O-N 3.5Å; G388-E392 WeakPolarHBondContact O-CG 3.33Å; G388-E392 PolarHBondContact O-N 3.18Å; G388-Q676 PolarHBondContact O-NE2 3.36Å
389R94.1Very high92.9Very high152 Ų15253.9 Ų53.957%0.57430%0.298SS*.Hα-helixtrans-62.5-39.3176.9-64.5-172.1-168.1-156.30.8113E385 T386 F387 E392 S393E385-R389 WeakPolarHBondContact O-CB 3.33Å; E385-R389 WeakPolarHBondContact O-CD 3.23Å; E385-R389 WeakPolarHBondContact O-CG 3.3Å; E385-R389 IonicContact OE2-CZ 3.27Å; E385-R389 IonicContact OE2-NE 3.6Å; E385-R389 PolarHBondContact OE2-NE 3.33Å; E385-R389 IonicContact OE2-NH2 2.76Å; E385-R389 PolarHBondContact OE2-NH2 3.4Å; T386-R389 PolarHBondContact O-N 3.33Å; F387-R389 PolarHBondContact O-N 3.47Å; R389-E392 PolarHBondContact O-N 2.94Å; R389-S393 PolarHBondContact O-N 2.97Å
390T95.6Very high92.5Very high60 Ų6054.9 Ų54.937%0.36830%0.303SS..Hα-helixtrans-59.6-48.4175.5-61.30000110.6T386 F387 G388 E392 S393 V394 P440T386-T390 WeakPolarHBondContact O-CB 3.23Å; T386-T390 PolarHBondContact O-N 3.1Å; T386-T390 PolarHBondContact O-OG1 2.87Å; F387-T390 PolarHBondContact O-N 3.42Å; G388-T390 PolarHBondContact O-N 2.88Å; T390-E392 PolarHBondContact O-N 3.22Å; T390-S393 PolarHBondContact O-N 2.93Å; T390-S393 PolarHBondContact O-OG 3.47Å; T390-V394 PolarHBondContact O-N 3.46Å; T390-P440 HydrophobicContact CG2-CB 3.78Å
391L93.8Very high92.1Very high0 Ų056.8 Ų56.80%031%0.309CS..Hα-helixtrans-64.2-39175.1-67.9-165.8000112.3F387 G388 S393 V394 L437 P440 R672 I675 Q676F387-L391 HydrophobicContact CD2-CD1 4.28Å; F387-L391 HydrophobicContact CD2-CG 4.04Å; F387-L391 HydrophobicContact CE1-CD1 3.83Å; F387-L391 HydrophobicContact CE2-CD1 3.52Å; F387-L391 HydrophobicContact CE2-CD2 3.94Å; F387-L391 HydrophobicContact CE2-CG 3.63Å; F387-L391 HydrophobicContact CZ-CD1 3.28Å; F387-L391 HydrophobicContact CZ-CG 3.95Å; F387-L391 PolarHBondContact O-N 2.9Å; G388-L391 PolarHBondContact O-N 3.5Å; L391-S393 PolarHBondContact O-N 3.3Å; L391-V394 HydrophobicContact CD2-CG2 4.48Å; L391-V394 WeakPolarHBondContact O-CB 3.49Å; L391-V394 PolarHBondContact O-N 2.9Å; L391-L437 HydrophobicContact CD2-CD2 3.93Å; L391-P440 HydrophobicContact CD2-CB 3.77Å; L391-P440 HydrophobicContact CD2-CG 3.44Å; L391-P440 VanDerWaalsContact CD2-CG 3.44Å; L391-R672 HydrophobicContact CB-CG 4.25Å; L391-R672 VanDerWaalsContact O-CD 3.31Å; L391-R672 WeakPolarHBondContact O-CD 3.49Å; L391-R672 PolarHBondContact O-NH1 2.86Å; L391-I675 HydrophobicContact CD1-CG2 3.93Å; L391-Q676 HydrophobicContact CB-CG 3.91Å; L391-Q676 HydrophobicContact CD1-CB 4.41Å; L391-Q676 HydrophobicContact CD1-CG 3.49Å; L391-Q676 VanDerWaalsContact CD1-CG 3.49Å; L391-Q676 HydrophobicContact CG-CG 4.27Å
392E92.9Very high91.7Very high120 Ų12054.6 Ų54.656%0.56131%0.306SS*.Hα-helixtrans-58.2-36.5175.5-76.1-176.9165.800113.2G388 R389 T390 V394 R672G388-E392 WeakPolarHBondContact O-CG 3.33Å; G388-E392 PolarHBondContact O-N 3.18Å; R389-E392 PolarHBondContact O-N 2.94Å; T390-E392 PolarHBondContact O-N 3.22Å; E392-V394 VanDerWaalsContact C-N 3.29Å; E392-V394 PolarHBondContact O-N 3.32Å; E392-R672 PolarHBondContact O-NH1 3.44Å
393S93.1Very high91.2Very high85 Ų8559.2 Ų59.259%0.59433%0.329SS*.Hα-helixtrans-72.9-12.4175.476.90000114.8R389 T390 L391 D395R389-S393 PolarHBondContact O-N 2.97Å; T390-S393 PolarHBondContact O-N 2.93Å; T390-S393 PolarHBondContact O-OG 3.47Å; L391-S393 PolarHBondContact O-N 3.3Å; S393-D395 PolarHBondContact O-N 3.5Å; S393-D395 VanDerWaalsContact O-N 3.08Å
394V93.1Very high90.7Very high16 Ų1661.6 Ų61.610%0.09734%0.343CS..SBendtrans-73.9103.2173-174.30000109.3T390 L391 E392 R436 L437 F668 R672T390-V394 PolarHBondContact O-N 3.46Å; L391-V394 HydrophobicContact CD2-CG2 4.48Å; L391-V394 WeakPolarHBondContact O-CB 3.49Å; L391-V394 PolarHBondContact O-N 2.9Å; E392-V394 VanDerWaalsContact C-N 3.29Å; E392-V394 PolarHBondContact O-N 3.32Å; V394-R436 HydrophobicContact CG1-CB 4.39Å; V394-L437 HydrophobicContact CB-CD2 4.3Å; V394-L437 HydrophobicContact CG1-CD2 4.2Å; V394-L437 HydrophobicContact CG2-CD2 4.44Å; V394-F668 HydrophobicContact CB-CZ 4.49Å; V394-F668 HydrophobicContact CG1-CZ 3.89Å; V394-R672 PolarHBondContact O-NH1 2.98Å
395D89.7Confident90.5Very high104 Ų10455.9 Ų55.956%0.55632%0.316SS*.  trans-57.8127.6179.1-80.5-42.5000112.5S393 L397 G398 R436S393-D395 PolarHBondContact O-N 3.5Å; S393-D395 VanDerWaalsContact O-N 3.08Å; D395-L397 PolarHBondContact O-N 2.85Å; D395-G398 PolarHBondContact O-N 3.14Å; D395-G398 VanDerWaalsContact O-N 3.11Å; D395-R436 PolarHBondContact O-NH1 2.99Å
396P89.5Confident90.1Very high18 Ų1852.5 Ų52.512%0.11730%0.301CS..THydrogen-bonded Turntrans-66.5-17.8-179.827.9-36.4000114.1K665 F668P396-K665 HydrophobicContact CB-CB 4.39Å; P396-K665 HydrophobicContact CB-CG 4.07Å; P396-K665 HydrophobicContact CG-CD 4.27Å; P396-K665 HydrophobicContact CG-CG 3.94Å; P396-F668 HydrophobicContact CB-CD1 3.52Å; P396-F668 HydrophobicContact CB-CE1 3.98Å; P396-F668 HydrophobicContact CB-CG 4.28Å
397L89.9Confident89.8Confident57 Ų5753.4 Ų53.430%0.29831%0.306SS..THydrogen-bonded Turntrans-120.411.4177.8-61.3175.3000111.7D395 G399 L400 E661 I664D395-L397 PolarHBondContact O-N 2.85Å; L397-G399 PolarHBondContact O-N 3.31Å; L397-L400 HydrophobicContact CD2-CD1 4.39Å; L397-L400 PolarHBondContact O-N 3.43Å; L397-E661 HydrophobicContact CD1-CB 4.32Å; L397-E661 HydrophobicContact CD2-CB 4.34Å; L397-I664 HydrophobicContact CD2-CB 4.23Å; L397-I664 HydrophobicContact CD2-CG2 3.98Å
398G84.7Confident89.4Confident14 Ų1453.8 Ų53.814%0.14431%0.31CS..THydrogen-bonded Turntrans-60122.8-176.600000111.6D395 L400 Q433 R436D395-G398 PolarHBondContact O-N 3.14Å; D395-G398 VanDerWaalsContact O-N 3.11Å; G398-L400 VanDerWaalsContact C-N 3.31Å; G398-L400 PolarHBondContact O-N 3.5Å; G398-Q433 PolarHBondContact O-NE2 3.08Å; G398-Q433 PolarHBondContact O-OE1 2.9Å; G398-R436 PolarHBondContact O-NH1 3.17Å
399G83.5Confident89Confident71 Ų7154.1 Ų54.173%0.73231%0.309SS*.THydrogen-bonded Turntrans74.113.9-17700000115.3L397L397-G399 PolarHBondContact O-N 3.31Å
400L87.3Confident88.5Confident21 Ų2152.2 Ų52.211%0.1130%0.302CS..  trans-107101.7168.4-57.1-174.6000110L397 G398 I405 L429 Q433 I664L397-L400 HydrophobicContact CD2-CD1 4.39Å; L397-L400 PolarHBondContact O-N 3.43Å; G398-L400 VanDerWaalsContact C-N 3.31Å; G398-L400 PolarHBondContact O-N 3.5Å; L400-I405 HydrophobicContact CB-CD1 4.26Å; L400-I405 HydrophobicContact CB-CG1 4.38Å; L400-L429 HydrophobicContact CD1-CB 4.38Å; L400-L429 HydrophobicContact CD2-CD2 3.95Å; L400-Q433 HydrophobicContact CD1-CG 4.02Å; L400-Q433 VanDerWaalsContact CG-NE2 3.31Å; L400-I664 HydrophobicContact CD1-CD1 3.8Å; L400-I664 HydrophobicContact CD1-CG2 4.18Å
401N87.3Confident88.1Confident104 Ų10455.2 Ų55.256%0.55632%0.315SS*.  trans-80.6150.6167.9-53-75000109.4I403 D404 I405N401-I403 PolarHBondContact O-N 2.91Å; N401-D404 VanDerWaalsContact CB-OD2 3.24Å; N401-D404 WeakPolarHBondContact CB-OD2 3.34Å; N401-D404 PolarHBondContact N-OD2 2.68Å; N401-D404 VanDerWaalsContact N-OD2 3.09Å; N401-D404 PolarHBondContact ND2-OD2 3.47Å; N401-D404 WeakPolarHBondContact O-CA 3.42Å; N401-D404 WeakPolarHBondContact O-CB 3.46Å; N401-D404 PolarHBondContact O-N 2.78Å; N401-I405 PolarHBondContact O-N 2.93Å; N401-I405 VanDerWaalsContact O-N 3.08Å
402T85.6Confident87.8Confident52 Ų5257 Ų5732%0.31933%0.331SS..Hα-helixtrans-54.7-29173.8-480000112.1I405 L406 L649 C657 E661T402-I405 PolarHBondContact O-N 3.27Å; T402-L406 WeakPolarHBondContact O-CD1 3.27Å; T402-L406 VanDerWaalsContact O-CG 3.25Å; T402-L406 WeakPolarHBondContact O-CG 3.44Å; T402-L406 PolarHBondContact O-N 2.99Å; T402-L649 HydrophobicContact CG2-CD1 4.03Å; T402-C657 HydrophobicContact CG2-CB 3.74Å; T402-E661 PolarHBondContact OG1-OE1 3.28Å
403I86.3Confident87.4Confident103 Ų10353.1 Ų53.153%0.52832%0.315SS..Hα-helixtrans-67.2-37.9172.5-57-58.4000112.7N401 I405 L406 T407 L649N401-I403 PolarHBondContact O-N 2.91Å; I403-I405 VanDerWaalsContact C-N 3.34Å; I403-L406 HydrophobicContact CD1-CD1 4.26Å; I403-L406 PolarHBondContact O-N 2.99Å; I403-T407 WeakPolarHBondContact O-CB 3.09Å; I403-T407 PolarHBondContact O-N 3.33Å; I403-T407 PolarHBondContact O-OG1 3.49Å; I403-L649 HydrophobicContact CD1-CD2 4.21Å
404D86.6Confident86.9Confident61 Ų6151 Ų5133%0.32631%0.306SS..Hα-helixtrans-69.8-37176.6-57.4-47.9000110.8N401 T407 A408N401-D404 VanDerWaalsContact CB-OD2 3.24Å; N401-D404 WeakPolarHBondContact CB-OD2 3.34Å; N401-D404 PolarHBondContact N-OD2 2.68Å; N401-D404 VanDerWaalsContact N-OD2 3.09Å; N401-D404 PolarHBondContact ND2-OD2 3.47Å; N401-D404 WeakPolarHBondContact O-CA 3.42Å; N401-D404 WeakPolarHBondContact O-CB 3.46Å; N401-D404 PolarHBondContact O-N 2.78Å; D404-T407 PolarHBondContact O-N 2.94Å; D404-A408 WeakPolarHBondContact O-CB 3.46Å; D404-A408 PolarHBondContact O-N 2.67Å
405I88Confident86.4Confident1 Ų156.7 Ų56.71%0.00534%0.344CS..Hα-helixtrans-65.1-46.6174.8-59.7-179.4000110.4L400 N401 T402 I403 T407 A408 I409 L429 C657 I660 E661L400-I405 HydrophobicContact CB-CD1 4.26Å; L400-I405 HydrophobicContact CB-CG1 4.38Å; N401-I405 PolarHBondContact O-N 2.93Å; N401-I405 VanDerWaalsContact O-N 3.08Å; T402-I405 PolarHBondContact O-N 3.27Å; I403-I405 VanDerWaalsContact C-N 3.34Å; I405-T407 VanDerWaalsContact C-N 3.27Å; I405-T407 PolarHBondContact O-N 3.41Å; I405-A408 WeakPolarHBondContact O-CB 3.45Å; I405-A408 PolarHBondContact O-N 2.84Å; I405-A408 VanDerWaalsContact O-N 3.16Å; I405-I409 HydrophobicContact CG2-CD1 4.17Å; I405-I409 WeakPolarHBondContact O-CG1 3.5Å; I405-I409 PolarHBondContact O-N 3.07Å; I405-L429 HydrophobicContact CB-CD1 4.29Å; I405-L429 HydrophobicContact CG1-CD1 3.99Å; I405-L429 HydrophobicContact CG2-CD1 4.09Å; I405-C657 HydrophobicContact CG2-CB 4.17Å; I405-I660 HydrophobicContact CG2-CB 4.02Å; I405-I660 HydrophobicContact CG2-CD1 4.27Å; I405-I660 HydrophobicContact CG2-CG2 3.74Å; I405-E661 HydrophobicContact CD1-CG 3.27Å
406L86.9Confident85.9Confident6 Ų661.3 Ų61.33%0.03135%0.353CS..Hα-helixtrans-58.6-39.8172.4-73.6164.7000113T402 I403 I409 R410 L649 E653 C657T402-L406 WeakPolarHBondContact O-CD1 3.27Å; T402-L406 VanDerWaalsContact O-CG 3.25Å; T402-L406 WeakPolarHBondContact O-CG 3.44Å; T402-L406 PolarHBondContact O-N 2.99Å; I403-L406 HydrophobicContact CD1-CD1 4.26Å; I403-L406 PolarHBondContact O-N 2.99Å; L406-I409 PolarHBondContact O-N 3.15Å; L406-R410 WeakPolarHBondContact O-CB 3.34Å; L406-R410 VanDerWaalsContact O-CG 3.31Å; L406-R410 WeakPolarHBondContact O-CG 3.28Å; L406-R410 PolarHBondContact O-N 2.92Å; L406-L649 HydrophobicContact CD1-CD1 3.74Å; L406-L649 HydrophobicContact CD1-CD2 3.22Å; L406-L649 HydrophobicContact CD1-CG 4.06Å; L406-E653 HydrophobicContact CD2-CB 3.68Å; L406-E653 HydrophobicContact CD2-CG 4.07Å; L406-C657 WeakPolarHBondContact CD2-SG 3.49Å; L406-C657 WeakPolarHBondContact CG-SG 3.37Å
407T87.8Confident85.1Confident61 Ų6166.7 Ų66.737%0.37439%0.389SS..Hα-helixtrans-66.5-40.7177.8-58.60000110.2I403 D404 I405 R410 N411I403-T407 WeakPolarHBondContact O-CB 3.09Å; I403-T407 PolarHBondContact O-N 3.33Å; I403-T407 PolarHBondContact O-OG1 3.49Å; D404-T407 PolarHBondContact O-N 2.94Å; I405-T407 VanDerWaalsContact C-N 3.27Å; I405-T407 PolarHBondContact O-N 3.41Å; T407-R410 PolarHBondContact O-N 3.36Å; T407-N411 VanDerWaalsContact O-CB 3.23Å; T407-N411 WeakPolarHBondContact O-CB 3.32Å; T407-N411 PolarHBondContact O-N 3.05Å; T407-N411 PolarHBondContact O-ND2 3.28Å; T407-N411 PolarHBondContact O-OD1 3.47Å
408A88.1Confident84.2Confident13 Ų1366.1 Ų66.111%0.10739%0.392CS..Hα-helixtrans-64.4-43172.600000112.8D404 I405 N411 A412 L429D404-A408 WeakPolarHBondContact O-CB 3.46Å; D404-A408 PolarHBondContact O-N 2.67Å; I405-A408 WeakPolarHBondContact O-CB 3.45Å; I405-A408 PolarHBondContact O-N 2.84Å; I405-A408 VanDerWaalsContact O-N 3.16Å; A408-N411 PolarHBondContact O-N 3.23Å; A408-A412 WeakPolarHBondContact O-CB 3.45Å; A408-A412 PolarHBondContact O-N 2.88Å; A408-L429 HydrophobicContact CB-CD1 3.94Å; A408-L429 HydrophobicContact CB-CD2 4.07Å; A408-L429 HydrophobicContact CB-CG 4.08Å
409I84.9Confident83.7Confident17 Ų1772 Ų729%0.08742%0.419CS..Hα-helixtrans-59-50.3174.8-67.4165.6000110.6I405 L406 A412 T413 V421 D656 I660I405-I409 HydrophobicContact CG2-CD1 4.17Å; I405-I409 WeakPolarHBondContact O-CG1 3.5Å; I405-I409 PolarHBondContact O-N 3.07Å; L406-I409 PolarHBondContact O-N 3.15Å; I409-A412 PolarHBondContact O-N 3.31Å; I409-T413 VanDerWaalsContact O-CB 3.29Å; I409-T413 WeakPolarHBondContact O-CB 3.48Å; I409-T413 PolarHBondContact O-N 2.97Å; I409-T413 PolarHBondContact O-OG1 3.17Å; I409-V421 HydrophobicContact CD1-CG1 4.43Å; I409-V421 HydrophobicContact CG1-CG1 4.27Å; I409-D656 HydrophobicContact CD1-CB 4.45Å; I409-I660 HydrophobicContact CD1-CD1 3.74Å; I409-I660 HydrophobicContact CG1-CD1 3.49Å; I409-I660 VanDerWaalsContact CG1-CD1 3.49Å
410R84.5Confident83.3Confident113 Ų11376.9 Ų76.943%0.42642%0.421SS..Hα-helixtrans-64.8-42-179.2-72.5175.7-179164.82.7111.7L406 T407 T413 G414 E653L406-R410 WeakPolarHBondContact O-CB 3.34Å; L406-R410 VanDerWaalsContact O-CG 3.31Å; L406-R410 WeakPolarHBondContact O-CG 3.28Å; L406-R410 PolarHBondContact O-N 2.92Å; T407-R410 PolarHBondContact O-N 3.36Å; R410-T413 WeakPolarHBondContact O-CB 3.24Å; R410-T413 PolarHBondContact O-N 3.36Å; R410-G414 PolarHBondContact O-N 2.96Å; R410-E653 IonicContact CZ-OE1 2.68Å; R410-E653 IonicContact NE-OE1 3.58Å; R410-E653 IonicContact NH2-OE1 3.74Å; R410-E653 PolarHBondContact NH2-OE1 2.73Å
411N87.6Confident82.8Confident122 Ų12278.1 Ų78.165%0.65243%0.429SS*.Hα-helixtrans-68.7-37.5177.7-69.1-10.1000112.3T407 A408 T413 G414T407-N411 VanDerWaalsContact O-CB 3.23Å; T407-N411 WeakPolarHBondContact O-CB 3.32Å; T407-N411 PolarHBondContact O-N 3.05Å; T407-N411 PolarHBondContact O-ND2 3.28Å; T407-N411 PolarHBondContact O-OD1 3.47Å; A408-N411 PolarHBondContact O-N 3.23Å; N411-T413 VanDerWaalsContact C-N 3.33Å; N411-G414 PolarHBondContact O-N 2.92Å
412A86.2Confident82.5Confident39 Ų3974.5 Ų74.532%0.32241%0.411SS..Hα-helixtrans-70.4-29.4174.200000112.9A408 I409 P422 V424A408-A412 WeakPolarHBondContact O-CB 3.45Å; A408-A412 PolarHBondContact O-N 2.88Å; I409-A412 PolarHBondContact O-N 3.31Å; A412-P422 HydrophobicContact CB-CB 4.02Å; A412-P422 HydrophobicContact CB-CG 4.26Å; A412-V424 HydrophobicContact CB-CB 4.26Å; A412-V424 HydrophobicContact CB-CG1 4.37Å
413T85Confident82.3Confident38 Ų3878.8 Ų78.823%0.23343%0.428CS..Hα-helixtrans-70.4-36.4171.1-65.70000111.7I409 R410 N411 R416 A418 P422I409-T413 VanDerWaalsContact O-CB 3.29Å; I409-T413 WeakPolarHBondContact O-CB 3.48Å; I409-T413 PolarHBondContact O-N 2.97Å; I409-T413 PolarHBondContact O-OG1 3.17Å; R410-T413 WeakPolarHBondContact O-CB 3.24Å; R410-T413 PolarHBondContact O-N 3.36Å; N411-T413 VanDerWaalsContact C-N 3.33Å; T413-R416 WeakPolarHBondContact CG2-O 3.27Å; T413-A418 HydrophobicContact CG2-CB 3.62Å; T413-P422 WeakPolarHBondContact OG1-CG 3.27Å
414G82.8Confident82.3Confident40 Ų4078.1 Ų78.141%0.41243%0.428SS..THydrogen-bonded Turntrans66.3-144177.400000112.9R410 N411 R416R410-G414 PolarHBondContact O-N 2.96Å; N411-G414 PolarHBondContact O-N 2.92Å; G414-R416 VanDerWaalsContact C-N 3.26Å; G414-R416 PolarHBondContact O-N 3.44Å
415P82.4Confident82.3Confident136 Ų13675.2 Ų75.288%0.88341%0.413SS*.THydrogen-bonded Turntrans-79.84.2-171.233.1-37000114.8
416R78.4Confident82.4Confident200 Ų20075.8 Ų75.876%0.75542%0.415SS*.SBendtrans-112.2147.4-174.5-63.8-179.5-177.8168.61.6110.9T413 G414 A418T413-R416 WeakPolarHBondContact CG2-O 3.27Å; G414-R416 VanDerWaalsContact C-N 3.26Å; G414-R416 PolarHBondContact O-N 3.44Å; R416-A418 PolarHBondContact O-N 3.48Å
417P73.3Confident82.5Confident132 Ų13278.9 Ų78.986%0.85743%0.429SS*.  trans-68.3132.217128.8-33.7000110.8
418A70.9Confident82.6Confident44 Ų4479.7 Ų79.736%0.36443%0.431SS..  trans-95.9140.2178.200000113T413 R416T413-A418 HydrophobicContact CG2-CB 3.62Å; R416-A418 PolarHBondContact O-N 3.48Å
419L74.9Confident82.8Confident137 Ų13779.1 Ų79.172%0.71743%0.426SS*.SBendtrans-91.4-26.1170-65.3178000112.6R652L419-R652 PolarHBondContact O-NH2 2.89Å
420F74.2Confident83.1Confident175 Ų17578.3 Ų78.377%0.76842%0.422SS*.SBendtrans-135160.5-178-55.9-76.7000110.2
421V76.4Confident83.6Confident46 Ų4675.7 Ų75.728%0.27941%0.414SS..  trans-70.9125.8177.8-175.80000109.6I409 E423 D656 I660I409-V421 HydrophobicContact CD1-CG1 4.43Å; I409-V421 HydrophobicContact CG1-CG1 4.27Å; V421-E423 PolarHBondContact O-N 2.86Å; V421-D656 HydrophobicContact CG2-CB 3.54Å; V421-D656 VanDerWaalsContact CG2-CG 3.45Å; V421-I660 HydrophobicContact CG1-CD1 3.58Å; V421-I660 HydrophobicContact CG1-CG1 3.91Å
422P81Confident83.8Confident28 Ų2876.8 Ų76.818%0.18241%0.408CS..  trans-72126.6-178.3-17.530.8000112.7A412 T413 V424 S425A412-P422 HydrophobicContact CB-CB 4.02Å; A412-P422 HydrophobicContact CB-CG 4.26Å; T413-P422 WeakPolarHBondContact OG1-CG 3.27Å; P422-V424 PolarHBondContact O-N 3.08Å; P422-V424 VanDerWaalsContact O-N 3.16Å; P422-S425 WeakPolarHBondContact O-CB 3.35Å; P422-S425 PolarHBondContact O-N 3.31Å; P422-S425 PolarHBondContact O-OG 3.42Å
423E82.5Confident84.1Confident143 Ų14375.1 Ų75.167%0.66839%0.394SS*.Hα-helixtrans-55.1-33.9177.2-65.7175.2-160.200112.8V421 S425 F426 E427V421-E423 PolarHBondContact O-N 2.86Å; E423-S425 PolarHBondContact O-N 2.88Å; E423-S425 VanDerWaalsContact O-N 3.12Å; E423-F426 WeakPolarHBondContact O-CA 3.29Å; E423-F426 WeakPolarHBondContact O-CB 3.43Å; E423-F426 PolarHBondContact O-N 3.44Å; E423-E427 PolarHBondContact O-N 2.93Å
424V86.8Confident84.6Confident88 Ų8873.3 Ų73.353%0.53338%0.383SS..Hα-helixtrans-53.3-32.6175-178.50000112.8A412 P422 L428A412-V424 HydrophobicContact CB-CB 4.26Å; A412-V424 HydrophobicContact CB-CG1 4.37Å; P422-V424 PolarHBondContact O-N 3.08Å; P422-V424 VanDerWaalsContact O-N 3.16Å; V424-L428 WeakPolarHBondContact O-CB 3.45Å; V424-L428 PolarHBondContact O-N 2.96Å
425S86.8Confident85.2Confident1 Ų177.6 Ų77.61%0.00739%0.39CS..Hα-helixtrans-71-38.5177.464.20000112.2P422 E423 L429 I660P422-S425 WeakPolarHBondContact O-CB 3.35Å; P422-S425 PolarHBondContact O-N 3.31Å; P422-S425 PolarHBondContact O-OG 3.42Å; E423-S425 PolarHBondContact O-N 2.88Å; E423-S425 VanDerWaalsContact O-N 3.12Å; S425-L429 VanDerWaalsContact O-CD1 3.29Å; S425-L429 WeakPolarHBondContact O-CD1 3.38Å; S425-L429 WeakPolarHBondContact O-CG 3.49Å; S425-L429 PolarHBondContact O-N 2.68Å; S425-I660 WeakPolarHBondContact OG-CD1 3.28Å
426F88.6Confident85.8Confident12 Ų1275.8 Ų75.85%0.05337%0.366CS..Hα-helixtrans-64.3-49.4170.8153.3-99000111E423 L428 L429 V430 I507 T509 F514 L663 I664 Y667E423-F426 WeakPolarHBondContact O-CA 3.29Å; E423-F426 WeakPolarHBondContact O-CB 3.43Å; E423-F426 PolarHBondContact O-N 3.44Å; F426-L428 PolarHBondContact O-N 2.97Å; F426-L429 PolarHBondContact O-N 2.64Å; F426-V430 HydrophobicContact CD2-CG2 3.66Å; F426-V430 HydrophobicContact CE2-CG2 3.35Å; F426-V430 HydrophobicContact CG-CG2 4.41Å; F426-V430 HydrophobicContact CZ-CG2 3.88Å; F426-V430 WeakPolarHBondContact O-CB 3.26Å; F426-V430 WeakPolarHBondContact O-CG2 3.43Å; F426-V430 PolarHBondContact O-N 3.06Å; F426-I507 HydrophobicContact CE1-CG2 3.75Å; F426-I507 HydrophobicContact CZ-CG2 4.11Å; F426-T509 HydrophobicContact CE1-CG2 4.21Å; F426-F514 HydrophobicContact CE2-CZ 4.26Å; F426-F514 HydrophobicContact CZ-CE2 4.34Å; F426-F514 AromaticContact CZ-CZ 3.84Å; F426-F514 HydrophobicContact CZ-CZ 3.84Å; F426-L663 HydrophobicContact CD2-CB 3.73Å; F426-L663 HydrophobicContact CE2-CB 3.78Å; F426-I664 HydrophobicContact CD2-CG1 4.03Å; F426-Y667 HydrophobicContact CZ-CD2 4.47Å; F426-Y667 HydrophobicContact CZ-CG 4.18Å
427E89.6Confident86.6Confident71 Ų7166.3 Ų66.333%0.33233%0.33SS..Hα-helixtrans-57.4-47.2-179.1-70-168.1177.300112.6E423 L429 V430 K431 I507E423-E427 PolarHBondContact O-N 2.93Å; E427-L429 VanDerWaalsContact C-N 3.31Å; E427-L429 PolarHBondContact O-N 2.69Å; E427-V430 PolarHBondContact O-N 3.39Å; E427-K431 WeakPolarHBondContact O-CB 3.41Å; E427-K431 VanDerWaalsContact O-CG 3.28Å; E427-K431 WeakPolarHBondContact O-CG 3.36Å; E427-K431 PolarHBondContact O-N 3.35Å; E427-I507 HydrophobicContact CB-CD1 3.96Å; E427-I507 HydrophobicContact CG-CD1 4.05Å
428L89.6Confident87.7Confident79 Ų7962.3 Ų62.341%0.41430%0.3SS..Hα-helixtrans-62.2-39.6-178.5-176.4152.5000111.8V424 F426 R432V424-L428 WeakPolarHBondContact O-CB 3.45Å; V424-L428 PolarHBondContact O-N 2.96Å; F426-L428 PolarHBondContact O-N 2.97Å; L428-R432 WeakPolarHBondContact O-CG 3.42Å; L428-R432 PolarHBondContact O-N 3.07Å
429L91.4Very high88.9Confident0 Ų067.8 Ų67.80%032%0.318CS..Hα-helixtrans-74.9-40.4-180-65.4169.7000112L400 I405 A408 S425 F426 E427 R432 Q433 I660 I664L400-L429 HydrophobicContact CD1-CB 4.38Å; L400-L429 HydrophobicContact CD2-CD2 3.95Å; I405-L429 HydrophobicContact CB-CD1 4.29Å; I405-L429 HydrophobicContact CG1-CD1 3.99Å; I405-L429 HydrophobicContact CG2-CD1 4.09Å; A408-L429 HydrophobicContact CB-CD1 3.94Å; A408-L429 HydrophobicContact CB-CD2 4.07Å; A408-L429 HydrophobicContact CB-CG 4.08Å; S425-L429 VanDerWaalsContact O-CD1 3.29Å; S425-L429 WeakPolarHBondContact O-CD1 3.38Å; S425-L429 WeakPolarHBondContact O-CG 3.49Å; S425-L429 PolarHBondContact O-N 2.68Å; F426-L429 PolarHBondContact O-N 2.64Å; E427-L429 VanDerWaalsContact C-N 3.31Å; E427-L429 PolarHBondContact O-N 2.69Å; L429-R432 WeakPolarHBondContact O-CB 3.32Å; L429-R432 PolarHBondContact O-N 2.72Å; L429-Q433 PolarHBondContact O-N 2.94Å; L429-I660 HydrophobicContact CD1-CG2 3.97Å; L429-I664 HydrophobicContact CB-CD1 3.54Å; L429-I664 HydrophobicContact CB-CG1 4.29Å; L429-I664 HydrophobicContact CD1-CD1 3.84Å; L429-I664 HydrophobicContact CG-CD1 4.34Å
430V93.1Very high90Very high0 Ų062.2 Ų62.20%029%0.29CS..Hα-helixtrans-59.4-46.9171.9167.20000111F426 E427 R432 Q433 I434 I507 I664 Y667F426-V430 HydrophobicContact CD2-CG2 3.66Å; F426-V430 HydrophobicContact CE2-CG2 3.35Å; F426-V430 HydrophobicContact CG-CG2 4.41Å; F426-V430 HydrophobicContact CZ-CG2 3.88Å; F426-V430 WeakPolarHBondContact O-CB 3.26Å; F426-V430 WeakPolarHBondContact O-CG2 3.43Å; F426-V430 PolarHBondContact O-N 3.06Å; E427-V430 PolarHBondContact O-N 3.39Å; V430-R432 VanDerWaalsContact C-N 3.25Å; V430-R432 PolarHBondContact O-N 3.41Å; V430-Q433 PolarHBondContact O-N 2.62Å; V430-I434 HydrophobicContact CG1-CD1 3.48Å; V430-I434 VanDerWaalsContact CG1-CD1 3.48Å; V430-I434 HydrophobicContact CG1-CG1 4.07Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3.3Å; V430-I507 HydrophobicContact CB-CD1 4.04Å; V430-I507 HydrophobicContact CG1-CD1 3.78Å; V430-I507 HydrophobicContact CG1-CG1 4.48Å; V430-I664 HydrophobicContact CG2-CB 4.18Å; V430-I664 HydrophobicContact CG2-CG1 3.86Å; V430-I664 HydrophobicContact CG2-CG2 4.24Å; V430-Y667 HydrophobicContact CG1-CD1 3.63Å; V430-Y667 HydrophobicContact CG1-CE1 4.21Å
431K93.8Very high91.1Very high59 Ų5953.9 Ų53.926%0.25725%0.253SS..Hα-helixtrans-61.6-31.8178.4-70.4-179.4-168.1-150.90112.6E427 K435 L504 A505 I507E427-K431 WeakPolarHBondContact O-CB 3.41Å; E427-K431 VanDerWaalsContact O-CG 3.28Å; E427-K431 WeakPolarHBondContact O-CG 3.36Å; E427-K431 PolarHBondContact O-N 3.35Å; K431-K435 WeakPolarHBondContact O-CG 3.45Å; K431-K435 PolarHBondContact O-N 2.78Å; K431-L504 HydrophobicContact CB-CD2 3.82Å; K431-L504 WeakPolarHBondContact CD-O 3.43Å; K431-L504 WeakPolarHBondContact CE-O 3.26Å; K431-L504 HydrophobicContact CG-CD2 4.07Å; K431-L504 PolarHBondContact NZ-O 2.88Å; K431-L504 WeakPolarHBondContact O-CD2 3.31Å; K431-A505 PolarHBondContact NZ-O 3.34Å; K431-I507 HydrophobicContact CD-CD1 4.44Å; K431-I507 HydrophobicContact CG-CD1 3.94Å
432R92.1Very high92Very high144 Ų14453.8 Ų53.854%0.54325%0.251SS..Hα-helixtrans-66.3-38.6171.5-73.8174.8178.3-171.8-0.8112.5L428 L429 V430L428-R432 WeakPolarHBondContact O-CG 3.42Å; L428-R432 PolarHBondContact O-N 3.07Å; L429-R432 WeakPolarHBondContact O-CB 3.32Å; L429-R432 PolarHBondContact O-N 2.72Å; V430-R432 VanDerWaalsContact C-N 3.25Å; V430-R432 PolarHBondContact O-N 3.41Å
433Q92.8Very high92.8Very high5 Ų558.6 Ų58.62%0.02327%0.266CS..Hα-helixtrans-72.8-46.1178.2-65.8-57.1-34.100112.1G398 L400 L429 V430 K435 R436 I664 F668G398-Q433 PolarHBondContact O-NE2 3.08Å; G398-Q433 PolarHBondContact O-OE1 2.9Å; L400-Q433 HydrophobicContact CD1-CG 4.02Å; L400-Q433 VanDerWaalsContact CG-NE2 3.31Å; L429-Q433 PolarHBondContact O-N 2.94Å; V430-Q433 PolarHBondContact O-N 2.62Å; Q433-K435 VanDerWaalsContact C-N 3.27Å; Q433-K435 PolarHBondContact O-N 2.95Å; Q433-R436 VanDerWaalsContact O-CB 3.32Å; Q433-R436 WeakPolarHBondContact O-CB 3.27Å; Q433-R436 PolarHBondContact O-N 2.89Å; Q433-I664 HydrophobicContact CG-CG2 4.36Å; Q433-F668 HydrophobicContact CB-CD2 3.56Å; Q433-F668 HydrophobicContact CB-CE2 3.79Å; Q433-F668 HydrophobicContact CB-CG 4.42Å; Q433-F668 WeakPolarHBondContact O-CE2 3.17Å
434I95.3Very high93.5Very high0 Ų051.9 Ų51.90%024%0.235CC..Hα-helixtrans-57.5-38.8179.1-66.3171.6000111.5V430 R436 L437 V500 E503 L504 Y667 F668 V671V430-I434 HydrophobicContact CG1-CD1 3.48Å; V430-I434 VanDerWaalsContact CG1-CD1 3.48Å; V430-I434 HydrophobicContact CG1-CG1 4.07Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3.3Å; I434-R436 PolarHBondContact O-N 3.5Å; I434-R436 VanDerWaalsContact O-N 3.13Å; I434-L437 VanDerWaalsContact O-CB 3.29Å; I434-L437 WeakPolarHBondContact O-CB 3.35Å; I434-L437 PolarHBondContact O-N 3.18Å; I434-V500 HydrophobicContact CG2-CG1 4.09Å; I434-E503 HydrophobicContact CG2-CB 4.01Å; I434-L504 HydrophobicContact CB-CD2 3.68Å; I434-L504 HydrophobicContact CB-CG 4.45Å; I434-L504 HydrophobicContact CG2-CD2 3.66Å; I434-L504 HydrophobicContact CG2-CG 3.88Å; I434-Y667 HydrophobicContact CD1-CE1 4.29Å; I434-F668 HydrophobicContact CG1-CD2 4.38Å; I434-V671 HydrophobicContact CD1-CB 4.31Å; I434-V671 HydrophobicContact CD1-CG1 3.98Å; I434-V671 HydrophobicContact CD1-CG2 3.97Å; I434-V671 HydrophobicContact CG1-CB 4.37Å; I434-V671 HydrophobicContact CG1-CG1 3.9Å; I434-V671 HydrophobicContact CG2-CG1 4.05Å
435K95.1Very high94Very high129 Ų12947.7 Ų47.756%0.56121%0.209SC*.Hα-helixtrans-55.1-29.7174.9-80.7-177.7177.3-161.20114.2K431 Q433 L437 E438 L504K431-K435 WeakPolarHBondContact O-CG 3.45Å; K431-K435 PolarHBondContact O-N 2.78Å; Q433-K435 VanDerWaalsContact C-N 3.27Å; Q433-K435 PolarHBondContact O-N 2.95Å; K435-L437 PolarHBondContact O-N 3.15Å; K435-E438 WeakPolarHBondContact O-CB 3.48Å; K435-E438 PolarHBondContact O-N 3.18Å; K435-L504 HydrophobicContact CD-CD1 4.36Å; K435-L504 HydrophobicContact CG-CD1 3.49Å; K435-L504 VanDerWaalsContact CG-CD1 3.49Å; K435-L504 HydrophobicContact CG-CD2 3.88Å; K435-L504 HydrophobicContact CG-CG 4.35Å
436R95.2Very high94.5Very high99 Ų9951.6 Ų51.637%0.37423%0.227SC..THydrogen-bonded Turntrans-71.1-10.7178.6-59.2170.664.2-142-4.7113.1V394 D395 G398 Q433 I434 P440V394-R436 HydrophobicContact CG1-CB 4.39Å; D395-R436 PolarHBondContact O-NH1 2.99Å; G398-R436 PolarHBondContact O-NH1 3.17Å; Q433-R436 VanDerWaalsContact O-CB 3.32Å; Q433-R436 WeakPolarHBondContact O-CB 3.27Å; Q433-R436 PolarHBondContact O-N 2.89Å; I434-R436 PolarHBondContact O-N 3.5Å; I434-R436 VanDerWaalsContact O-N 3.13Å; R436-P440 VanDerWaalsContact O-CD 3.26Å; R436-P440 WeakPolarHBondContact O-CD 3.48Å
437L96Very high94.9Very high0 Ų052.9 Ų52.90%024%0.235CC..THydrogen-bonded Turntrans-84.5-11.5176.5-56.9172.9000112.5L391 V394 I434 K435 S441 F668 V671 R672 I675L391-L437 HydrophobicContact CD2-CD2 3.93Å; V394-L437 HydrophobicContact CB-CD2 4.3Å; V394-L437 HydrophobicContact CG1-CD2 4.2Å; V394-L437 HydrophobicContact CG2-CD2 4.44Å; I434-L437 VanDerWaalsContact O-CB 3.29Å; I434-L437 WeakPolarHBondContact O-CB 3.35Å; I434-L437 PolarHBondContact O-N 3.18Å; K435-L437 PolarHBondContact O-N 3.15Å; L437-S441 WeakPolarHBondContact O-CB 3.36Å; L437-S441 PolarHBondContact O-N 3.33Å; L437-S441 PolarHBondContact O-OG 2.88Å; L437-F668 HydrophobicContact CD1-CD2 4.43Å; L437-F668 HydrophobicContact CD1-CE2 3.77Å; L437-F668 HydrophobicContact CD1-CZ 4.18Å; L437-F668 HydrophobicContact CD2-CE2 4.08Å; L437-F668 HydrophobicContact CD2-CZ 3.77Å; L437-F668 HydrophobicContact CG-CE2 3.93Å; L437-F668 HydrophobicContact CG-CZ 4.15Å; L437-V671 HydrophobicContact CD1-CG1 4.35Å; L437-R672 HydrophobicContact CD1-CB 4.3Å; L437-R672 HydrophobicContact CD2-CG 4.16Å; L437-I675 HydrophobicContact CB-CD1 4.02Å; L437-I675 HydrophobicContact CD1-CD1 3.66Å; L437-I675 HydrophobicContact CG-CD1 4.49Å
438E96.4Very high95.3Very high48 Ų4849.5 Ų49.522%0.22422%0.219CC..Hα-helixtrans-69.9-52.6-178.5-164.4-178.815300112.5K435 S441 L442 H497 V500K435-E438 WeakPolarHBondContact O-CB 3.48Å; K435-E438 PolarHBondContact O-N 3.18Å; E438-S441 WeakPolarHBondContact O-CA 3.47Å; E438-S441 WeakPolarHBondContact O-CB 3.34Å; E438-S441 PolarHBondContact O-N 3.24Å; E438-L442 HydrophobicContact CG-CD1 4.25Å; E438-L442 PolarHBondContact O-N 3.3Å; E438-H497 IonicContact OE1-CE1 2.66Å; E438-H497 PolarHBondContact OE1-CE1 2.61Å; E438-H497 IonicContact OE1-CG 3.56Å; E438-H497 IonicContact OE1-ND1 2.7Å; E438-H497 PolarHBondContact OE1-ND1 2.83Å; E438-H497 IonicContact OE2-ND1 3.61Å; E438-V500 HydrophobicContact CB-CG1 4.21Å; E438-V500 HydrophobicContact CB-CG2 4.36Å; E438-V500 HydrophobicContact CG-CG2 4.49Å
439E95.8Very high95.6Very high160 Ų16046.6 Ų46.675%0.74820%0.203SC*.Hα-helixtrans-53.4-53.8178.8179.8-177.717900113.6S441 L442 R443E439-S441 PolarHBondContact O-N 2.73Å; E439-L442 PolarHBondContact O-N 2.91Å; E439-R443 WeakPolarHBondContact O-CB 3.22Å; E439-R443 PolarHBondContact O-N 2.92Å
440P96.7Very high95.8Very high19 Ų1950.4 Ų50.412%0.12322%0.221CC..Hα-helixtrans-66-24.6176.825.7-35.1000113.2F387 T390 L391 R436 C444F387-P440 WeakPolarHBondContact CD2-O 2.97Å; T390-P440 HydrophobicContact CG2-CB 3.78Å; L391-P440 HydrophobicContact CD2-CB 3.77Å; L391-P440 HydrophobicContact CD2-CG 3.44Å; L391-P440 VanDerWaalsContact CD2-CG 3.44Å; R436-P440 VanDerWaalsContact O-CD 3.26Å; R436-P440 WeakPolarHBondContact O-CD 3.48Å; P440-C444 PolarHBondContact O-N 3.26Å; P440-C444 VanDerWaalsContact O-N 3.09Å
441S97.2Very high95.8Very high0 Ų050.6 Ų50.60%022%0.222CC..Hα-helixtrans-73.8-43.9175.4-59.90000111.9L437 E438 E439 R443 C444 V445L437-S441 WeakPolarHBondContact O-CB 3.36Å; L437-S441 PolarHBondContact O-N 3.33Å; L437-S441 PolarHBondContact O-OG 2.88Å; E438-S441 WeakPolarHBondContact O-CA 3.47Å; E438-S441 WeakPolarHBondContact O-CB 3.34Å; E438-S441 PolarHBondContact O-N 3.24Å; E439-S441 PolarHBondContact O-N 2.73Å; S441-R443 VanDerWaalsContact C-N 3.34Å; S441-C444 WeakPolarHBondContact O-CB 3.5Å; S441-C444 PolarHBondContact O-N 3.01Å; S441-V445 WeakPolarHBondContact O-CG2 3.3Å; S441-V445 PolarHBondContact O-N 2.93Å
442L96.9Very high95.9Very high45 Ų4547.8 Ų47.824%0.23621%0.21CC..Hα-helixtrans-62.8-41.8172.2-67.7174.5000111E438 E439 C444 V445 E446 N493 V496E438-L442 HydrophobicContact CG-CD1 4.25Å; E438-L442 PolarHBondContact O-N 3.3Å; E439-L442 PolarHBondContact O-N 2.91Å; L442-C444 PolarHBondContact O-N 3.5Å; L442-V445 WeakPolarHBondContact O-CB 3.28Å; L442-V445 PolarHBondContact O-N 3.46Å; L442-E446 PolarHBondContact O-N 3.37Å; L442-E446 VanDerWaalsContact O-N 3.12Å; L442-N493 HydrophobicContact CD2-CB 3.93Å; L442-V496 HydrophobicContact CD2-CB 4.34Å; L442-V496 HydrophobicContact CD2-CG1 4.08Å
443R97.2Very high95.9Very high128 Ų12843.9 Ų43.948%0.48320%0.198SC..Hα-helixtrans-61.4-31.4175.6-172.156.4-179.8167.77.3113E439 S441 E446 L447E439-R443 WeakPolarHBondContact O-CB 3.22Å; E439-R443 PolarHBondContact O-N 2.92Å; S441-R443 VanDerWaalsContact C-N 3.34Å; R443-E446 WeakPolarHBondContact CD-OE2 3.42Å; R443-E446 IonicContact CZ-OE2 2.66Å; R443-E446 IonicContact NE-OE2 3.72Å; R443-E446 IonicContact NH1-OE2 2.81Å; R443-E446 PolarHBondContact NH1-OE2 3.43Å; R443-E446 PolarHBondContact O-N 3.01Å; R443-L447 WeakPolarHBondContact O-CG 3.31Å; R443-L447 PolarHBondContact O-N 2.89Å; R443-L447 VanDerWaalsContact O-N 3.08Å
444C97.5Very high95.8Very high3 Ų347.3 Ų47.32%0.0221%0.21CC..Hα-helixtrans-63.7-41.9172-174.90000112F387 P440 S441 L442 E446 L447 V448F387-C444 HydrophobicContact CB-CB 4.13Å; F387-C444 HydrophobicContact CD2-CB 3.61Å; F387-C444 HydrophobicContact CE2-CB 4.1Å; F387-C444 HydrophobicContact CG-CB 3.87Å; P440-C444 PolarHBondContact O-N 3.26Å; P440-C444 VanDerWaalsContact O-N 3.09Å; S441-C444 WeakPolarHBondContact O-CB 3.5Å; S441-C444 PolarHBondContact O-N 3.01Å; L442-C444 PolarHBondContact O-N 3.5Å; C444-E446 VanDerWaalsContact C-N 3.34Å; C444-E446 PolarHBondContact O-N 3.37Å; C444-L447 PolarHBondContact O-N 2.93Å; C444-V448 WeakPolarHBondContact O-CG2 3.5Å; C444-V448 PolarHBondContact O-N 3.48Å; C444-V448 VanDerWaalsContact O-N 3.11Å
445V97.9Very high95.6Very high0 Ų047.4 Ų47.40%021%0.211CC..Hα-helixtrans-61.1-43.9175.7-165.50000111S441 L442 L447 V448 H449 L489 T492 N493 V496 V683S441-V445 WeakPolarHBondContact O-CG2 3.3Å; S441-V445 PolarHBondContact O-N 2.93Å; L442-V445 WeakPolarHBondContact O-CB 3.28Å; L442-V445 PolarHBondContact O-N 3.46Å; V445-L447 PolarHBondContact O-N 3.44Å; V445-V448 PolarHBondContact O-N 3.28Å; V445-H449 WeakPolarHBondContact O-CB 3.42Å; V445-H449 PolarHBondContact O-N 3.42Å; V445-L489 HydrophobicContact CG1-CD1 3.81Å; V445-T492 HydrophobicContact CG1-CG2 3.64Å; V445-T492 HydrophobicContact CG2-CG2 4.39Å; V445-N493 WeakPolarHBondContact CB-OD1 3.37Å; V445-N493 WeakPolarHBondContact CG1-OD1 3.26Å; V445-V496 HydrophobicContact CG2-CB 4.44Å; V445-V496 HydrophobicContact CG2-CG2 3.85Å; V445-V683 HydrophobicContact CB-CG2 4.38Å; V445-V683 HydrophobicContact CG1-CG2 4.33Å; V445-V683 HydrophobicContact CG2-CG2 3.83Å
446E96.7Very high95.3Very high82 Ų8241.4 Ų41.438%0.38319%0.185SC..Hα-helixtrans-60.4-44.7177.7-65.8177167.900112.4L442 R443 C444 V448 H449 E450L442-E446 PolarHBondContact O-N 3.37Å; L442-E446 VanDerWaalsContact O-N 3.12Å; R443-E446 WeakPolarHBondContact CD-OE2 3.42Å; R443-E446 IonicContact CZ-OE2 2.66Å; R443-E446 IonicContact NE-OE2 3.72Å; R443-E446 IonicContact NH1-OE2 2.81Å; R443-E446 PolarHBondContact NH1-OE2 3.43Å; R443-E446 PolarHBondContact O-N 3.01Å; C444-E446 VanDerWaalsContact C-N 3.34Å; C444-E446 PolarHBondContact O-N 3.37Å; E446-V448 PolarHBondContact O-N 2.7Å; E446-H449 WeakPolarHBondContact O-CB 3.13Å; E446-H449 PolarHBondContact O-N 2.99Å; E446-E450 PolarHBondContact O-N 2.95Å
447L96.9Very high94.7Very high40 Ų4042.8 Ų42.821%0.20920%0.195CC..Hα-helixtrans-64.5-37.9178.4-71170.7000112.5I382 T386 R443 C444 V445 E451I382-L447 HydrophobicContact CD1-CB 4.36Å; I382-L447 HydrophobicContact CG2-CB 3.87Å; I382-L447 HydrophobicContact CG2-CD1 4.46Å; T386-L447 HydrophobicContact CG2-CD1 4.06Å; R443-L447 WeakPolarHBondContact O-CG 3.31Å; R443-L447 PolarHBondContact O-N 2.89Å; R443-L447 VanDerWaalsContact O-N 3.08Å; C444-L447 PolarHBondContact O-N 2.93Å; V445-L447 PolarHBondContact O-N 3.44Å; L447-E451 PolarHBondContact O-N 3.06Å
448V97.2Very high94.1Very high0 Ų043.7 Ų43.70%020%0.2CC..Hα-helixtrans-71.1-36.9174.3176.40000111.2I379 I382 F383 C444 V445 E446 E451 M452 V683 L687 V688I379-V448 HydrophobicContact CG1-CG1 4.4Å; I379-V448 HydrophobicContact CG2-CG1 4.31Å; I379-V448 HydrophobicContact CG2-CG2 4.46Å; I382-V448 HydrophobicContact CB-CG2 4.42Å; I382-V448 HydrophobicContact CG2-CG2 3.8Å; F383-V448 HydrophobicContact CD1-CG2 4.37Å; F383-V448 HydrophobicContact CE1-CG2 3.65Å; F383-V448 HydrophobicContact CZ-CG2 3.87Å; C444-V448 WeakPolarHBondContact O-CG2 3.5Å; C444-V448 PolarHBondContact O-N 3.48Å; C444-V448 VanDerWaalsContact O-N 3.11Å; V445-V448 PolarHBondContact O-N 3.28Å; E446-V448 PolarHBondContact O-N 2.7Å; V448-E451 PolarHBondContact O-N 3.21Å; V448-M452 HydrophobicContact CG1-CG 4.22Å; V448-M452 WeakPolarHBondContact O-CB 3.28Å; V448-M452 WeakPolarHBondContact O-CG 3.44Å; V448-M452 PolarHBondContact O-N 2.9Å; V448-V683 HydrophobicContact CB-CG1 3.97Å; V448-V683 HydrophobicContact CG1-CG1 3.71Å; V448-V683 HydrophobicContact CG2-CG1 4.21Å; V448-L687 HydrophobicContact CG1-CD2 4.3Å; V448-V688 HydrophobicContact CG1-CG2 4.04Å
449H95.9Very high93.4Very high18 Ų1841.5 Ų41.58%0.08319%0.19CC..Hα-helixtrans-62.2-42.6173.8-178.386.3000111.9V445 E446 M452 Q453 L485 L489 L687V445-H449 WeakPolarHBondContact O-CB 3.42Å; V445-H449 PolarHBondContact O-N 3.42Å; E446-H449 WeakPolarHBondContact O-CB 3.13Å; E446-H449 PolarHBondContact O-N 2.99Å; H449-M452 PolarHBondContact O-N 3.22Å; H449-Q453 PolarHBondContact CD2-NE2 3.44Å; H449-Q453 PolarHBondContact NE2-NE2 3.26Å; H449-Q453 WeakPolarHBondContact O-CG 3.32Å; H449-Q453 PolarHBondContact O-N 3.47Å; H449-Q453 VanDerWaalsContact O-N 3.11Å; H449-L485 PolarHBondContact CE1-O 3.12Å; H449-L489 HydrophobicContact CB-CD1 4.22Å; H449-L687 HydrophobicContact CB-CD2 4.43Å
450E95.3Very high92.3Very high80 Ų8035 Ų3537%0.37416%0.162SC..Hα-helixtrans-61.8-44.3174.3-164.6-171.8169.400111.5E446 Q453 R454E446-E450 PolarHBondContact O-N 2.95Å; E450-Q453 WeakPolarHBondContact O-CB 3.44Å; E450-Q453 PolarHBondContact O-N 2.91Å; E450-R454 PolarHBondContact O-N 3.08Å; E450-R454 IonicContact OE1-CZ 3.83Å; E450-R454 IonicContact OE1-NH2 3.96Å; E450-R454 PolarHBondContact OE1-NH2 2.92Å; E450-R454 IonicContact OE2-NH2 2.79Å; E450-R454 PolarHBondContact OE2-NH2 3.22Å
451E94.5Very high91.1Very high4 Ų439.5 Ų39.52%0.01919%0.185CC..Hα-helixtrans-64.1-42.6176-174.257.5-158.800112.4C374 G375 R378 I379 I382 L447 V448 Q453 R454 I455C374-E451 WeakPolarHBondContact CA-OE1 3.49Å; G375-E451 PolarHBondContact N-OE1 3.04Å; R378-E451 HydrophobicContact CB-CG 4.07Å; R378-E451 WeakPolarHBondContact CB-OE1 3.4Å; R378-E451 HydrophobicContact CG-CG 3.84Å; R378-E451 WeakPolarHBondContact CG-OE1 3.42Å; R378-E451 WeakPolarHBondContact CG-OE2 3.42Å; I379-E451 HydrophobicContact CG1-CB 4.37Å; I379-E451 HydrophobicContact CG1-CG 3.86Å; I382-E451 HydrophobicContact CD1-CB 4Å; I382-E451 HydrophobicContact CD1-CG 4.45Å; L447-E451 PolarHBondContact O-N 3.06Å; V448-E451 PolarHBondContact O-N 3.21Å; E451-Q453 PolarHBondContact O-N 3.34Å; E451-R454 WeakPolarHBondContact O-CB 3.27Å; E451-R454 PolarHBondContact O-N 3.24Å; E451-R454 IonicContact OE2-CZ 2.78Å; E451-R454 IonicContact OE2-NH1 3.75Å; E451-R454 PolarHBondContact OE2-NH1 2.89Å; E451-I455 WeakPolarHBondContact O-CG1 3.43Å; E451-I455 PolarHBondContact O-N 3.19Å
452M94.6Very high89.6Confident0 Ų043.4 Ų43.40%020%0.2CC..Hα-helixtrans-62-25.5175.8-69.8-74.9-70.300113Y357 I361 I379 V448 H449 I455 L485 V688 V691Y357-M452 HydrophobicContact CE1-CE 4.36Å; Y357-M452 PolarHBondContact OH-O 3.32Å; I361-M452 HydrophobicContact CD1-CE 3.67Å; I361-M452 HydrophobicContact CD1-SD 3.86Å; I361-M452 HydrophobicContact CG1-SD 4.12Å; I379-M452 HydrophobicContact CD1-CG 4.44Å; I379-M452 HydrophobicContact CD1-SD 3.85Å; V448-M452 HydrophobicContact CG1-CG 4.22Å; V448-M452 WeakPolarHBondContact O-CB 3.28Å; V448-M452 WeakPolarHBondContact O-CG 3.44Å; V448-M452 PolarHBondContact O-N 2.9Å; H449-M452 PolarHBondContact O-N 3.22Å; M452-I455 HydrophobicContact SD-CD1 4.17Å; M452-L485 HydrophobicContact CB-CD1 4.11Å; M452-L485 HydrophobicContact CB-CD2 3.77Å; M452-L485 HydrophobicContact CE-CD2 4.07Å; M452-L485 HydrophobicContact CG-CD2 4.46Å; M452-V688 HydrophobicContact CE-CG1 4.31Å; M452-V688 HydrophobicContact SD-CG1 4.19Å; M452-V688 HydrophobicContact SD-CG2 4.25Å; M452-V691 HydrophobicContact CE-CB 4.22Å; M452-V691 HydrophobicContact CE-CG1 4.11Å
453Q92.9Very high87.8Confident62 Ų6243 Ų4329%0.2920%0.201SC..Hα-helixtrans-77.6-41.6169.2-69.3177.3-3.300112.2H449 E450 E451 I455 I456 L485H449-Q453 PolarHBondContact CD2-NE2 3.44Å; H449-Q453 PolarHBondContact NE2-NE2 3.26Å; H449-Q453 WeakPolarHBondContact O-CG 3.32Å; H449-Q453 PolarHBondContact O-N 3.47Å; H449-Q453 VanDerWaalsContact O-N 3.11Å; E450-Q453 WeakPolarHBondContact O-CB 3.44Å; E450-Q453 PolarHBondContact O-N 2.91Å; E451-Q453 PolarHBondContact O-N 3.34Å; Q453-I455 PolarHBondContact O-N 3.14Å; Q453-I456 VanDerWaalsContact O-CB 3.28Å; Q453-I456 WeakPolarHBondContact O-CB 3.08Å; Q453-I456 PolarHBondContact O-N 3.03Å; Q453-L485 HydrophobicContact CG-CD1 3.91Å
454R90.7Very high86Confident77 Ų7737 Ų3729%0.29118%0.179SC..Hα-helixtrans-58.8-36174.2-67.1-170.7-159.91043.7112.1E450 E451 I456 Q457 H458E450-R454 PolarHBondContact O-N 3.08Å; E450-R454 IonicContact OE1-CZ 3.83Å; E450-R454 IonicContact OE1-NH2 3.96Å; E450-R454 PolarHBondContact OE1-NH2 2.92Å; E450-R454 IonicContact OE2-NH2 2.79Å; E450-R454 PolarHBondContact OE2-NH2 3.22Å; E451-R454 WeakPolarHBondContact O-CB 3.27Å; E451-R454 PolarHBondContact O-N 3.24Å; E451-R454 IonicContact OE2-CZ 2.78Å; E451-R454 IonicContact OE2-NH1 3.75Å; E451-R454 PolarHBondContact OE2-NH1 2.89Å; R454-I456 PolarHBondContact O-N 3.18Å; R454-Q457 WeakPolarHBondContact O-CB 3.14Å; R454-Q457 PolarHBondContact O-N 3.46Å; R454-H458 PolarHBondContact O-N 2.79Å
455I90.6Very high84.3Confident1 Ų143 Ų431%0.00521%0.207CC..Hα-helixtrans-58.2-35.3175.5-64.2168.2000111.4Y357 T360 I361 I379 E451 M452 Q453 Q457 H458 C459Y357-I455 HydrophobicContact CD2-CG2 3.67Å; Y357-I455 HydrophobicContact CE2-CB 3.98Å; Y357-I455 HydrophobicContact CE2-CG2 3.61Å; Y357-I455 HydrophobicContact CG-CG2 4.41Å; T360-I455 HydrophobicContact CG2-CG1 4.33Å; T360-I455 HydrophobicContact CG2-CG2 3.68Å; I361-I455 HydrophobicContact CG1-CD1 3.73Å; I379-I455 HydrophobicContact CD1-CD1 4.2Å; E451-I455 WeakPolarHBondContact O-CG1 3.43Å; E451-I455 PolarHBondContact O-N 3.19Å; M452-I455 HydrophobicContact SD-CD1 4.17Å; Q453-I455 PolarHBondContact O-N 3.14Å; I455-Q457 VanDerWaalsContact C-N 3.33Å; I455-Q457 PolarHBondContact O-N 2.86Å; I455-H458 PolarHBondContact O-N 3.2Å; I455-C459 WeakPolarHBondContact O-CB 3.38Å; I455-C459 PolarHBondContact O-N 3.37Å; I455-C459 PolarHBondContact O-SG 3.11Å
456I89.2Confident83.1Confident4 Ų446.7 Ų46.72%0.02122%0.224CC..Hα-helixtrans-60.6-45.3175.5-51.7170000110.2F353 Y357 Q453 R454 C459 S460 V478 V481 L485F353-I456 HydrophobicContact CZ-CG2 4.34Å; Y357-I456 HydrophobicContact CE2-CG1 3.73Å; Q453-I456 VanDerWaalsContact O-CB 3.28Å; Q453-I456 WeakPolarHBondContact O-CB 3.08Å; Q453-I456 PolarHBondContact O-N 3.03Å; R454-I456 PolarHBondContact O-N 3.18Å; I456-C459 PolarHBondContact O-N 2.89Å; I456-S460 WeakPolarHBondContact O-CB 3.43Å; I456-S460 PolarHBondContact O-N 2.86Å; I456-V478 HydrophobicContact CG2-CB 4.32Å; I456-V478 HydrophobicContact CG2-CG1 4.21Å; I456-V478 HydrophobicContact CG2-CG2 3.82Å; I456-V481 HydrophobicContact CD1-CB 3.88Å; I456-V481 HydrophobicContact CD1-CG1 3.67Å; I456-V481 HydrophobicContact CG1-CB 4.38Å; I456-V481 HydrophobicContact CG1-CG1 3.95Å; I456-L485 HydrophobicContact CD1-CD1 4.05Å
457Q82.9Confident82.2Confident127 Ų12743 Ų4359%0.59321%0.207SC*.Hα-helixtrans-66.3-42.6179-60.7175-2.100111.2R454 I455 S460 N461R454-Q457 WeakPolarHBondContact O-CB 3.14Å; R454-Q457 PolarHBondContact O-N 3.46Å; I455-Q457 VanDerWaalsContact C-N 3.33Å; I455-Q457 PolarHBondContact O-N 2.86Å; Q457-S460 WeakPolarHBondContact CA-OG 3.4Å; Q457-S460 WeakPolarHBondContact O-CA 3.46Å; Q457-S460 WeakPolarHBondContact O-CB 3.47Å; Q457-S460 PolarHBondContact O-N 3.31Å; Q457-S460 VanDerWaalsContact O-N 3.14Å; Q457-S460 PolarHBondContact O-OG 3.32Å; Q457-N461 PolarHBondContact O-N 3.4Å
458H82.3Confident81.1Confident19 Ų1945.9 Ų45.99%0.08822%0.221CC..Hα-helixtrans-59.7-51.5174.6-174.293.6000110.9E369 R454 I455 S460 N461 Y462E369-H458 IonicContact OE2-CE1 3.14Å; E369-H458 PolarHBondContact OE2-CE1 3.25Å; E369-H458 IonicContact OE2-ND1 2.78Å; E369-H458 PolarHBondContact OE2-ND1 3.04Å; R454-H458 PolarHBondContact O-N 2.79Å; I455-H458 PolarHBondContact O-N 3.2Å; H458-S460 PolarHBondContact O-N 3.22Å; H458-N461 PolarHBondContact O-N 3.24Å; H458-Y462 AromaticContact CD2-CD2 3.92Å; H458-Y462 AromaticContact CD2-CE2 3.8Å; H458-Y462 AromaticContact CE1-CE2 3.32Å; H458-Y462 WeakPolarHBondContact CE1-CE2 3.18Å; H458-Y462 AromaticContact CE1-CZ 3.96Å; H458-Y462 AromaticContact CG-CE2 3.8Å; H458-Y462 AromaticContact ND1-CE2 3.52Å; H458-Y462 AromaticContact NE2-CD2 3.79Å; H458-Y462 AromaticContact NE2-CE2 3.52Å; H458-Y462 WeakPolarHBondContact O-CD2 3.49Å; H458-Y462 WeakPolarHBondContact O-CE2 3.4Å
459C82.2Confident80.2Confident3 Ų346.8 Ų46.82%0.0223%0.225CC..Hα-helixtrans-56.9-36.4173.6-650000112.4F353 I455 I456 N461 S463 T464F353-C459 HydrophobicContact CE2-CB 4.06Å; I455-C459 WeakPolarHBondContact O-CB 3.38Å; I455-C459 PolarHBondContact O-N 3.37Å; I455-C459 PolarHBondContact O-SG 3.11Å; I456-C459 PolarHBondContact O-N 2.89Å; C459-N461 PolarHBondContact O-N 3.21Å; C459-S463 PolarHBondContact O-N 3.3Å; C459-T464 PolarHBondContact O-OG1 3.28Å
460S73.1Confident79.9Confident22 Ų2246 Ų4615%0.15422%0.221CC..Hα-helixtrans-67-15.9175.377.40000114.6I456 Q457 H458 T464 H474I456-S460 WeakPolarHBondContact O-CB 3.43Å; I456-S460 PolarHBondContact O-N 2.86Å; Q457-S460 WeakPolarHBondContact CA-OG 3.4Å; Q457-S460 WeakPolarHBondContact O-CA 3.46Å; Q457-S460 WeakPolarHBondContact O-CB 3.47Å; Q457-S460 PolarHBondContact O-N 3.31Å; Q457-S460 VanDerWaalsContact O-N 3.14Å; Q457-S460 PolarHBondContact O-OG 3.32Å; H458-S460 PolarHBondContact O-N 3.22Å; S460-T464 VanDerWaalsContact CA-OG1 3.22Å; S460-T464 WeakPolarHBondContact CA-OG1 3.48Å; S460-T464 WeakPolarHBondContact O-CB 3.43Å; S460-T464 VanDerWaalsContact O-CG2 3.27Å; S460-T464 WeakPolarHBondContact O-CG2 3.38Å; S460-T464 PolarHBondContact O-OG1 2.95Å; S460-H474 VanDerWaalsContact CB-NE2 3.34Å; S460-H474 WeakPolarHBondContact CB-NE2 3.08Å
461N72.1Confident79.5Confident115 Ų11544.7 Ų44.762%0.61522%0.22SC*.Hα-helixtrans-88.6-35.6178.1-68.4-23.4000113.6Q457 H458 C459Q457-N461 PolarHBondContact O-N 3.4Å; H458-N461 PolarHBondContact O-N 3.24Å; C459-N461 PolarHBondContact O-N 3.21Å
462Y65.7Low79.4Confident82 Ų8249.1 Ų49.132%0.32224%0.239SC..Hα-helixtrans-103.7-38.2-170.4-52-80.7000114.5E369 H458 T464E369-Y462 PolarHBondContact OE1-OH 3.28Å; E369-Y462 VanDerWaalsContact OE1-OH 3.08Å; E369-Y462 PolarHBondContact OE2-OH 2.75Å; H458-Y462 AromaticContact CD2-CD2 3.92Å; H458-Y462 AromaticContact CD2-CE2 3.8Å; H458-Y462 AromaticContact CE1-CE2 3.32Å; H458-Y462 WeakPolarHBondContact CE1-CE2 3.18Å; H458-Y462 AromaticContact CE1-CZ 3.96Å; H458-Y462 AromaticContact CG-CE2 3.8Å; H458-Y462 AromaticContact ND1-CE2 3.52Å; H458-Y462 AromaticContact NE2-CD2 3.79Å; H458-Y462 AromaticContact NE2-CE2 3.52Å; H458-Y462 WeakPolarHBondContact O-CD2 3.49Å; H458-Y462 WeakPolarHBondContact O-CE2 3.4Å; Y462-T464 PolarHBondContact O-N 2.68Å
463S59Low79.2Confident37 Ų3749.1 Ų49.126%0.25924%0.239SC..SBendtrans-85.95.7-173.6-56.70000113.7C459C459-S463 PolarHBondContact O-N 3.3Å
464T58Low79.1Confident1 Ų148 Ų481%0.00623%0.233CC..  trans-1247-142.1-36.10000113.7C459 S460 Y462 E466 L467 L468C459-T464 PolarHBondContact O-OG1 3.28Å; S460-T464 VanDerWaalsContact CA-OG1 3.22Å; S460-T464 WeakPolarHBondContact CA-OG1 3.48Å; S460-T464 WeakPolarHBondContact O-CB 3.43Å; S460-T464 VanDerWaalsContact O-CG2 3.27Å; S460-T464 WeakPolarHBondContact O-CG2 3.38Å; S460-T464 PolarHBondContact O-OG1 2.95Å; Y462-T464 PolarHBondContact O-N 2.68Å; T464-E466 PolarHBondContact O-N 2.84Å; T464-L467 HydrophobicContact CG2-CB 3.35Å; T464-L467 HydrophobicContact CG2-CD1 4.17Å; T464-L467 HydrophobicContact CG2-CG 4.4Å; T464-L467 CarbonylContact O-C 3.59Å; T464-L467 PolarHBondContact O-N 3.19Å; T464-L468 HydrophobicContact CG2-CG 4.08Å; T464-L468 VanDerWaalsContact O-CB 3.27Å; T464-L468 WeakPolarHBondContact O-CB 3.49Å; T464-L468 VanDerWaalsContact O-CG 3.24Å; T464-L468 WeakPolarHBondContact O-CG 3.35Å; T464-L468 PolarHBondContact O-N 3.41Å
465Q63.7Low79.1Confident130 Ų13049 Ų4961%0.60725%0.245SC*.THydrogen-bonded Turntrans-59.8-32.1170.4-66-155.89.200111.5
466E72.1Confident79.2Confident76 Ų7650.1 Ų50.136%0.35525%0.254SS..THydrogen-bonded Turntrans-72.3-35.4171.3-63.2176.8-15700113.5L349 K352 T464 R469 F470L349-E466 HydrophobicContact CD2-CB 3.77Å; L349-E466 WeakPolarHBondContact CD2-OE2 3.31Å; K352-E466 IonicContact NZ-OE1 2.69Å; K352-E466 PolarHBondContact NZ-OE1 3.37Å; K352-E466 IonicContact NZ-OE2 2.86Å; K352-E466 PolarHBondContact NZ-OE2 3.16Å; T464-E466 PolarHBondContact O-N 2.84Å; E466-R469 WeakPolarHBondContact O-CB 3.09Å; E466-F470 WeakPolarHBondContact O-CD2 3.43Å
467L77.7Confident79.3Confident5 Ų550 Ų503%0.02625%0.254CS..THydrogen-bonded Turntrans-83-29.1-178.7-85166.5000112.9L349 F353 T464 R469 F470 L473 I477L349-L467 HydrophobicContact CB-CD2 4.15Å; L349-L467 HydrophobicContact CD1-CD2 4.41Å; L349-L467 HydrophobicContact CD2-CD2 4.48Å; L349-L467 HydrophobicContact CD2-CG 4.29Å; F353-L467 HydrophobicContact CB-CD1 4.37Å; F353-L467 HydrophobicContact CD2-CD1 4.44Å; T464-L467 HydrophobicContact CG2-CB 3.35Å; T464-L467 HydrophobicContact CG2-CD1 4.17Å; T464-L467 HydrophobicContact CG2-CG 4.4Å; T464-L467 CarbonylContact O-C 3.59Å; T464-L467 PolarHBondContact O-N 3.19Å; L467-R469 PolarHBondContact O-N 3.11Å; L467-F470 CarbonylContact O-C 3.58Å; L467-F470 VanDerWaalsContact O-C 3.22Å; L467-F470 WeakPolarHBondContact O-CA 3.32Å; L467-F470 PolarHBondContact O-N 3.02Å; L467-L473 HydrophobicContact CD2-CD2 3.79Å; L467-L473 HydrophobicContact CD2-CG 3.95Å; L467-I477 HydrophobicContact CD2-CD1 3.81Å
468L74.6Confident79.8Confident100 Ų10046 Ų4652%0.52424%0.237SC..THydrogen-bonded Turntrans-66-20.1171.4-75.1171.1000112T464 F470T464-L468 HydrophobicContact CG2-CG 4.08Å; T464-L468 VanDerWaalsContact O-CB 3.27Å; T464-L468 WeakPolarHBondContact O-CB 3.49Å; T464-L468 VanDerWaalsContact O-CG 3.24Å; T464-L468 WeakPolarHBondContact O-CG 3.35Å; T464-L468 PolarHBondContact O-N 3.41Å; L468-F470 PolarHBondContact O-N 2.98Å
469R78.2Confident80.3Confident19 Ų1949.9 Ų49.97%0.07226%0.256CS..THydrogen-bonded Turntrans-59.9-31.4165.2-63.3169.559.2176.9-1111.4Y335 E337 E466 L467 P471 E715 S716 M719Y335-R469 VanDerWaalsContact O-CD 3.23Å; Y335-R469 WeakPolarHBondContact O-CD 3.17Å; Y335-R469 PolarHBondContact O-NE 3.4Å; Y335-R469 VanDerWaalsContact O-NE 3.15Å; Y335-R469 PolarHBondContact O-NH1 2.88Å; E337-R469 PolarHBondContact O-NH1 2.88Å; E337-R469 PolarHBondContact O-NH2 3.33Å; E466-R469 WeakPolarHBondContact O-CB 3.09Å; L467-R469 PolarHBondContact O-N 3.11Å; R469-P471 WeakPolarHBondContact O-CD 3.49Å; R469-E715 IonicContact CZ-OE1 2.71Å; R469-E715 IonicContact NE-OE1 3.79Å; R469-E715 PolarHBondContact NE-OE1 2.9Å; R469-E715 IonicContact NH2-OE1 3.49Å; R469-E715 PolarHBondContact NH2-OE1 3.36Å; R469-E715 CarbonylContact O-C 3.5Å; R469-E715 WeakPolarHBondContact O-CA 3.21Å; R469-S716 PolarHBondContact O-N 3.08Å; R469-M719 HydrophobicContact CG-CE 4.29Å
470F87.8Confident81Confident2 Ų251 Ų511%0.00926%0.262CS..  trans-121.572.2-172.9-51.9-67.5000111.6V339 L349 E466 L467 L468 K472 L473 H474 L713 E715V339-F470 HydrophobicContact CG2-CE1 4.13Å; V339-F470 HydrophobicContact CG2-CZ 3.57Å; L349-F470 HydrophobicContact CD1-CD2 3.82Å; L349-F470 HydrophobicContact CD1-CE2 3.9Å; E466-F470 WeakPolarHBondContact O-CD2 3.43Å; L467-F470 CarbonylContact O-C 3.58Å; L467-F470 VanDerWaalsContact O-C 3.22Å; L467-F470 WeakPolarHBondContact O-CA 3.32Å; L467-F470 PolarHBondContact O-N 3.02Å; L468-F470 PolarHBondContact O-N 2.98Å; F470-K472 VanDerWaalsContact C-N 3.26Å; F470-K472 PolarHBondContact O-N 3.33Å; F470-K472 VanDerWaalsContact O-N 3.16Å; F470-L473 HydrophobicContact CB-CB 3.81Å; F470-L473 HydrophobicContact CB-CD2 4.43Å; F470-L473 WeakPolarHBondContact O-CB 3.42Å; F470-L473 PolarHBondContact O-N 2.83Å; F470-H474 PolarHBondContact O-N 3.21Å; F470-L713 HydrophobicContact CD1-CB 4.14Å; F470-L713 HydrophobicContact CD1-CD2 4.16Å; F470-L713 HydrophobicContact CD2-CD2 4.23Å; F470-L713 HydrophobicContact CE1-CB 4.17Å; F470-L713 HydrophobicContact CE1-CD2 4.29Å; F470-L713 HydrophobicContact CE2-CD2 4.39Å; F470-L713 HydrophobicContact CG-CD2 4.13Å; F470-L713 HydrophobicContact CZ-CD2 4.43Å; F470-E715 HydrophobicContact CD1-CG 4.06Å; F470-E715 HydrophobicContact CE1-CG 3.49Å; F470-E715 VanDerWaalsContact CE1-CG 3.49Å; F470-E715 HydrophobicContact CZ-CG 4.28Å
471P88.6Confident82Confident52 Ų5250 Ų5034%0.33826%0.255SS..Hα-helixtrans-53.7-40.4-175.2-26.834.5000113.7R469 L473 H474 D475R469-P471 WeakPolarHBondContact O-CD 3.49Å; P471-L473 PolarHBondContact O-N 3.21Å; P471-H474 WeakPolarHBondContact O-CB 3.4Å; P471-H474 PolarHBondContact O-N 2.96Å; P471-D475 VanDerWaalsContact O-CG 3.25Å; P471-D475 PolarHBondContact O-N 3.06Å
472K91.1Very high83.1Confident97 Ų9745.8 Ų45.842%0.42223%0.234SC..Hα-helixtrans-61.9-38.7176.7-69.5175.2177.6176.70113F470 A476 D711 T714F470-K472 VanDerWaalsContact C-N 3.26Å; F470-K472 PolarHBondContact O-N 3.33Å; F470-K472 VanDerWaalsContact O-N 3.16Å; K472-A476 VanDerWaalsContact O-CB 3.25Å; K472-A476 WeakPolarHBondContact O-CB 3.33Å; K472-A476 PolarHBondContact O-N 3.4Å; K472-A476 VanDerWaalsContact O-N 3.08Å; K472-D711 WeakPolarHBondContact CD-O 3.36Å; K472-D711 IonicContact NZ-OD1 3.77Å; K472-T714 PolarHBondContact NZ-OG1 3.15Å
473L91.3Very high84.5Confident0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-68.4-44.6175.1174.858.7000111.2L346 L349 L467 F470 P471 D475 A476 I477 L703 L712 L713L346-L473 HydrophobicContact CD1-CD1 3.36Å; L346-L473 HydrophobicContact CD1-CD2 3.68Å; L346-L473 HydrophobicContact CD1-CG 4.18Å; L349-L473 HydrophobicContact CB-CD2 4.31Å; L349-L473 HydrophobicContact CD1-CD2 3.7Å; L467-L473 HydrophobicContact CD2-CD2 3.79Å; L467-L473 HydrophobicContact CD2-CG 3.95Å; F470-L473 HydrophobicContact CB-CB 3.81Å; F470-L473 HydrophobicContact CB-CD2 4.43Å; F470-L473 WeakPolarHBondContact O-CB 3.42Å; F470-L473 PolarHBondContact O-N 2.83Å; P471-L473 PolarHBondContact O-N 3.21Å; L473-D475 PolarHBondContact O-N 2.89Å; L473-A476 PolarHBondContact O-N 3Å; L473-I477 HydrophobicContact CD1-CD1 3.85Å; L473-I477 HydrophobicContact CD1-CG1 4.01Å; L473-I477 HydrophobicContact CG-CD1 3.9Å; L473-I477 HydrophobicContact CG-CG1 4.47Å; L473-I477 WeakPolarHBondContact O-CG1 3.27Å; L473-I477 PolarHBondContact O-N 3.4Å; L473-L703 HydrophobicContact CD1-CD1 4.37Å; L473-L712 HydrophobicContact CB-CB 4.19Å; L473-L712 WeakPolarHBondContact CB-O 3.42Å; L473-L712 HydrophobicContact CD1-CB 4.3Å; L473-L712 HydrophobicContact CD1-CD1 4.34Å; L473-L712 PolarHBondContact N-O 2.95Å; L473-L713 HydrophobicContact CD2-CD2 3.88Å
474H90.3Very high86.2Confident38 Ų3842.4 Ų42.418%0.17622%0.221CC..Hα-helixtrans-53.6-54.5175167.8-89.1000111S460 F470 P471 A476 I477 V478S460-H474 VanDerWaalsContact CB-NE2 3.34Å; S460-H474 WeakPolarHBondContact CB-NE2 3.08Å; F470-H474 PolarHBondContact O-N 3.21Å; P471-H474 WeakPolarHBondContact O-CB 3.4Å; P471-H474 PolarHBondContact O-N 2.96Å; H474-A476 VanDerWaalsContact C-N 3.32Å; H474-A476 PolarHBondContact O-N 2.94Å; H474-I477 PolarHBondContact O-N 3.36Å; H474-I477 VanDerWaalsContact O-N 3.17Å; H474-V478 WeakPolarHBondContact O-CG2 3.4Å; H474-V478 PolarHBondContact O-N 2.71Å
475D90.8Very high88Confident98 Ų9842.4 Ų42.452%0.52422%0.221SC..Hα-helixtrans-64.6-37-176.8-62.5-11000111.8P471 L473 V478 E479P471-D475 VanDerWaalsContact O-CG 3.25Å; P471-D475 PolarHBondContact O-N 3.06Å; L473-D475 PolarHBondContact O-N 2.89Å; D475-V478 PolarHBondContact O-N 3.16Å; D475-E479 WeakPolarHBondContact O-CB 3.47Å; D475-E479 PolarHBondContact O-N 2.97Å
476A92.7Very high89.5Confident25 Ų2541.8 Ų41.821%0.20721%0.213CC..Hα-helixtrans-66.6-38.5175.100000113K472 L473 H474 V480 L703 L712K472-A476 VanDerWaalsContact O-CB 3.25Å; K472-A476 WeakPolarHBondContact O-CB 3.33Å; K472-A476 PolarHBondContact O-N 3.4Å; K472-A476 VanDerWaalsContact O-N 3.08Å; L473-A476 PolarHBondContact O-N 3Å; H474-A476 VanDerWaalsContact C-N 3.32Å; H474-A476 PolarHBondContact O-N 2.94Å; A476-V480 VanDerWaalsContact O-CG2 3.28Å; A476-V480 WeakPolarHBondContact O-CG2 3.41Å; A476-V480 PolarHBondContact O-N 3.38Å; A476-V480 VanDerWaalsContact O-N 3.07Å; A476-L703 HydrophobicContact CB-CD2 3.78Å; A476-L712 HydrophobicContact CB-CD2 3.6Å
477I92.3Very high90.7Very high3 Ų342.9 Ų42.92%0.01522%0.217CC..Hα-helixtrans-61.8-52.4172.1-71.4168.2000109.4F353 L467 L473 H474 E479 V480 V481 L699 L703F353-I477 HydrophobicContact CD1-CG2 3.61Å; F353-I477 HydrophobicContact CD2-CG2 4.11Å; F353-I477 HydrophobicContact CE1-CG2 3.47Å; F353-I477 VanDerWaalsContact CE1-CG2 3.47Å; F353-I477 HydrophobicContact CE2-CG2 3.97Å; F353-I477 HydrophobicContact CG-CG2 3.94Å; F353-I477 HydrophobicContact CZ-CG2 3.66Å; L467-I477 HydrophobicContact CD2-CD1 3.81Å; L473-I477 HydrophobicContact CD1-CD1 3.85Å; L473-I477 HydrophobicContact CD1-CG1 4.01Å; L473-I477 HydrophobicContact CG-CD1 3.9Å; L473-I477 HydrophobicContact CG-CG1 4.47Å; L473-I477 WeakPolarHBondContact O-CG1 3.27Å; L473-I477 PolarHBondContact O-N 3.4Å; H474-I477 PolarHBondContact O-N 3.36Å; H474-I477 VanDerWaalsContact O-N 3.17Å; I477-E479 VanDerWaalsContact C-N 3.32Å; I477-E479 PolarHBondContact O-N 3.24Å; I477-V480 PolarHBondContact O-N 2.88Å; I477-V480 VanDerWaalsContact O-N 3.15Å; I477-V481 HydrophobicContact CG2-CG2 4.36Å; I477-V481 WeakPolarHBondContact O-CG2 3.38Å; I477-V481 PolarHBondContact O-N 3.29Å; I477-L699 HydrophobicContact CB-CD2 4.37Å; I477-L699 HydrophobicContact CG1-CD2 4.33Å; I477-L699 HydrophobicContact CG2-CD2 4.03Å; I477-L703 HydrophobicContact CB-CD1 4.47Å; I477-L703 HydrophobicContact CG1-CD1 3.52Å
478V92.3Very high91.5Very high41 Ų4144.8 Ų44.825%0.24822%0.224CC..Hα-helixtrans-55.7-45.2-179.2172.80000111.6I456 H474 D475 T482I456-V478 HydrophobicContact CG2-CB 4.32Å; I456-V478 HydrophobicContact CG2-CG1 4.21Å; I456-V478 HydrophobicContact CG2-CG2 3.82Å; H474-V478 WeakPolarHBondContact O-CG2 3.4Å; H474-V478 PolarHBondContact O-N 2.71Å; D475-V478 PolarHBondContact O-N 3.16Å; V478-T482 VanDerWaalsContact O-CB 3.27Å; V478-T482 WeakPolarHBondContact O-CB 3.46Å; V478-T482 PolarHBondContact O-N 3.05Å; V478-T482 PolarHBondContact O-OG1 2.86Å
479E94.1Very high92.5Very high102 Ų10241.9 Ų41.948%0.47721%0.208SC..Hα-helixtrans-67.5-39.8178.7-178.356-155.100112.3D475 I477 T482 C483 R486D475-E479 WeakPolarHBondContact O-CB 3.47Å; D475-E479 PolarHBondContact O-N 2.97Å; I477-E479 VanDerWaalsContact C-N 3.32Å; I477-E479 PolarHBondContact O-N 3.24Å; E479-T482 PolarHBondContact O-N 3.25Å; E479-C483 WeakPolarHBondContact O-CB 3.35Å; E479-C483 PolarHBondContact O-N 3.27Å; E479-R486 IonicContact OE1-CZ 3.93Å; E479-R486 IonicContact OE1-NH2 2.72Å; E479-R486 PolarHBondContact OE1-NH2 3.18Å; E479-R486 IonicContact OE2-NH2 3.84Å; E479-R486 PolarHBondContact OE2-NH2 3.46Å
480V95.1Very high93.5Very high26 Ų2644 Ų4416%0.15823%0.225CC..Hα-helixtrans-63.7-44.8176.51710000111.3A476 I477 C483 L484 E698 L699 Q702 L703A476-V480 VanDerWaalsContact O-CG2 3.28Å; A476-V480 WeakPolarHBondContact O-CG2 3.41Å; A476-V480 PolarHBondContact O-N 3.38Å; A476-V480 VanDerWaalsContact O-N 3.07Å; I477-V480 PolarHBondContact O-N 2.88Å; I477-V480 VanDerWaalsContact O-N 3.15Å; V480-C483 PolarHBondContact O-N 2.94Å; V480-L484 WeakPolarHBondContact O-CB 3.48Å; V480-L484 PolarHBondContact O-N 2.93Å; V480-E698 HydrophobicContact CG1-CG 4.08Å; V480-L699 HydrophobicContact CB-CD2 3.97Å; V480-L699 HydrophobicContact CG1-CD2 3.77Å; V480-L699 HydrophobicContact CG1-CG 4.45Å; V480-Q702 HydrophobicContact CG1-CB 4.39Å; V480-Q702 HydrophobicContact CG1-CG 4.23Å; V480-Q702 HydrophobicContact CG2-CB 3.99Å; V480-Q702 HydrophobicContact CG2-CG 4.35Å; V480-L703 HydrophobicContact CG2-CD2 4.14Å
481V94.4Very high93.9Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-64.9-44.1176.6-171.50000111.1F353 Y357 I456 I477 C483 L484 L485 L695 L699F353-V481 HydrophobicContact CE1-CG2 3.82Å; F353-V481 HydrophobicContact CZ-CG2 4.15Å; Y357-V481 HydrophobicContact CE2-CG1 4.37Å; I456-V481 HydrophobicContact CD1-CB 3.88Å; I456-V481 HydrophobicContact CD1-CG1 3.67Å; I456-V481 HydrophobicContact CG1-CB 4.38Å; I456-V481 HydrophobicContact CG1-CG1 3.95Å; I477-V481 HydrophobicContact CG2-CG2 4.36Å; I477-V481 WeakPolarHBondContact O-CG2 3.38Å; I477-V481 PolarHBondContact O-N 3.29Å; V481-C483 VanDerWaalsContact C-N 3.29Å; V481-C483 PolarHBondContact O-N 3Å; V481-L484 PolarHBondContact O-N 2.71Å; V481-L485 HydrophobicContact CG1-CD1 4.29Å; V481-L485 WeakPolarHBondContact O-CG 3.34Å; V481-L485 PolarHBondContact O-N 3.43Å; V481-L695 HydrophobicContact CB-CD1 4.31Å; V481-L695 HydrophobicContact CG1-CD1 4.06Å; V481-L695 HydrophobicContact CG2-CD1 3.53Å; V481-L699 HydrophobicContact CG2-CD2 4.18Å
482T94.8Very high94.4Very high27 Ų2743.8 Ų43.817%0.16622%0.222CC..Hα-helixtrans-64.8-34.5178.3-55.20000111.6V478 E479 R486V478-T482 VanDerWaalsContact O-CB 3.27Å; V478-T482 WeakPolarHBondContact O-CB 3.46Å; V478-T482 PolarHBondContact O-N 3.05Å; V478-T482 PolarHBondContact O-OG1 2.86Å; E479-T482 PolarHBondContact O-N 3.25Å; T482-R486 WeakPolarHBondContact O-CB 3.41Å; T482-R486 WeakPolarHBondContact O-CG 3.49Å; T482-R486 PolarHBondContact O-N 3.38Å; T482-R486 PolarHBondContact O-NE 3.5Å
483C95.6Very high94.6Very high43 Ų4341.1 Ų41.129%0.29121%0.213SC..Hα-helixtrans-67.3-44.9171.8-169.40000111.6E479 V480 V481 L485 R486 K487E479-C483 WeakPolarHBondContact O-CB 3.35Å; E479-C483 PolarHBondContact O-N 3.27Å; V480-C483 PolarHBondContact O-N 2.94Å; V481-C483 VanDerWaalsContact C-N 3.29Å; V481-C483 PolarHBondContact O-N 3Å; C483-L485 PolarHBondContact O-N 3.35Å; C483-R486 PolarHBondContact O-N 3.28Å; C483-K487 WeakPolarHBondContact O-CG 3.43Å; C483-K487 PolarHBondContact O-N 3.48Å
484L95.6Very high95Very high6 Ų647.1 Ų47.13%0.03124%0.241CC..Hα-helixtrans-59.1-47.6175.9179.960.3000111.4V480 V481 R486 K487 R488 V691 L695V480-L484 WeakPolarHBondContact O-CB 3.48Å; V480-L484 PolarHBondContact O-N 2.93Å; V481-L484 PolarHBondContact O-N 2.71Å; L484-R486 VanDerWaalsContact C-N 3.35Å; L484-R486 PolarHBondContact O-N 3.02Å; L484-K487 WeakPolarHBondContact O-CB 3.49Å; L484-K487 PolarHBondContact O-N 2.9Å; L484-R488 HydrophobicContact CD1-CG 4.5Å; L484-R488 WeakPolarHBondContact O-CG 3.26Å; L484-R488 PolarHBondContact O-N 2.89Å; L484-V691 HydrophobicContact CD2-CG1 4.19Å; L484-V691 HydrophobicContact CG-CG2 4.35Å; L484-L695 HydrophobicContact CD2-CD1 4.44Å
485L95.7Very high95.3Very high0 Ų048.2 Ų48.20%025%0.247CC..Hα-helixtrans-58-44.9174.7-70.9171000111.8H449 M452 Q453 I456 V481 C483 K487 R488 L489 L687 V691H449-L485 PolarHBondContact CE1-O 3.12Å; M452-L485 HydrophobicContact CB-CD1 4.11Å; M452-L485 HydrophobicContact CB-CD2 3.77Å; M452-L485 HydrophobicContact CE-CD2 4.07Å; M452-L485 HydrophobicContact CG-CD2 4.46Å; Q453-L485 HydrophobicContact CG-CD1 3.91Å; I456-L485 HydrophobicContact CD1-CD1 4.05Å; V481-L485 HydrophobicContact CG1-CD1 4.29Å; V481-L485 WeakPolarHBondContact O-CG 3.34Å; V481-L485 PolarHBondContact O-N 3.43Å; C483-L485 PolarHBondContact O-N 3.35Å; L485-K487 PolarHBondContact O-N 3.24Å; L485-R488 PolarHBondContact O-N 3.47Å; L485-L489 PolarHBondContact O-N 3.08Å; L485-L687 HydrophobicContact CD2-CD1 4.01Å; L485-V691 HydrophobicContact CD2-CG1 4.23Å; L485-V691 HydrophobicContact CD2-CG2 3.87Å
486R95.6Very high95.6Very high117 Ų11743.5 Ų43.544%0.44222%0.222SC..Hα-helixtrans-63.9-36.1176.9-78.3177.9-69.2179.80.2112.9E479 T482 C483 L484 R488 P490E479-R486 IonicContact OE1-CZ 3.93Å; E479-R486 IonicContact OE1-NH2 2.72Å; E479-R486 PolarHBondContact OE1-NH2 3.18Å; E479-R486 IonicContact OE2-NH2 3.84Å; E479-R486 PolarHBondContact OE2-NH2 3.46Å; T482-R486 WeakPolarHBondContact O-CB 3.41Å; T482-R486 WeakPolarHBondContact O-CG 3.49Å; T482-R486 PolarHBondContact O-N 3.38Å; T482-R486 PolarHBondContact O-NE 3.5Å; C483-R486 PolarHBondContact O-N 3.28Å; L484-R486 VanDerWaalsContact C-N 3.35Å; L484-R486 PolarHBondContact O-N 3.02Å; R486-R488 VanDerWaalsContact C-N 3.3Å; R486-R488 PolarHBondContact O-N 3.36Å; R486-P490 WeakPolarHBondContact O-CD 3.49Å
487K95.9Very high95.8Very high100 Ų10046.3 Ų46.344%0.43523%0.231SC..Hα-helixtrans-64.4-31.3173.6-70.4169.9-175.4172.40112.6C483 L484 L485 E698C483-K487 WeakPolarHBondContact O-CG 3.43Å; C483-K487 PolarHBondContact O-N 3.48Å; L484-K487 WeakPolarHBondContact O-CB 3.49Å; L484-K487 PolarHBondContact O-N 2.9Å; L485-K487 PolarHBondContact O-N 3.24Å; K487-E698 IonicContact NZ-OE1 2.67Å; K487-E698 PolarHBondContact NZ-OE1 2.7Å; K487-E698 VanDerWaalsContact NZ-OE1 3.15Å
488R96Very high96.1Very high45 Ų4550 Ų5017%0.1725%0.25CS..Hα-helixtrans-91.4-22-175.8-63.5-51.6-58.4-177.4-1.3115L484 L485 R486 T492 F686 L687 H690 V691L484-R488 HydrophobicContact CD1-CG 4.5Å; L484-R488 WeakPolarHBondContact O-CG 3.26Å; L484-R488 PolarHBondContact O-N 2.89Å; L485-R488 PolarHBondContact O-N 3.47Å; R486-R488 VanDerWaalsContact C-N 3.3Å; R486-R488 PolarHBondContact O-N 3.36Å; R488-T492 PolarHBondContact O-N 2.82Å; R488-T492 VanDerWaalsContact O-N 3.15Å; R488-T492 PolarHBondContact O-OG1 3.45Å; R488-F686 PolarHBondContact NE-O 3.07Å; R488-F686 PolarHBondContact NH2-O 3.48Å; R488-L687 HydrophobicContact CB-CD1 3.67Å; R488-H690 WeakPolarHBondContact CD-CD2 3.26Å; R488-H690 WeakPolarHBondContact CD-NE2 3.29Å; R488-H690 PolarHBondContact NE-CD2 2.85Å; R488-V691 HydrophobicContact CG-CG2 4.25Å
489L95.6Very high96.3Very high38 Ų3849.7 Ų49.720%0.19925%0.247CC..Hα-helixtrans-54.5-53.6175.2-177.459.5000113.8V445 H449 L485 V491 T492 N493V445-L489 HydrophobicContact CG1-CD1 3.81Å; H449-L489 HydrophobicContact CB-CD1 4.22Å; L485-L489 PolarHBondContact O-N 3.08Å; L489-V491 PolarHBondContact O-N 3.26Å; L489-T492 PolarHBondContact O-N 2.97Å; L489-T492 VanDerWaalsContact O-N 3.16Å; L489-N493 PolarHBondContact O-N 3.32Å
490P97.3Very high96.4Very high63 Ų6344.8 Ų44.841%0.40922%0.224SC..Hα-helixtrans-63.5-40.7-17824.4-33.8000112.7R486 T492 N493 E494R486-P490 WeakPolarHBondContact O-CD 3.49Å; P490-T492 PolarHBondContact O-N 3.34Å; P490-N493 PolarHBondContact O-N 3.35Å; P490-E494 WeakPolarHBondContact O-CB 3.44Å; P490-E494 WeakPolarHBondContact O-CG 3.43Å; P490-E494 PolarHBondContact O-N 3.11Å
491V97.7Very high96.4Very high50 Ų5045.3 Ų45.330%0.30323%0.231SC..Hα-helixtrans-58.8-37.9176.4-176.30000111.5L489 M495 F686L489-V491 PolarHBondContact O-N 3.26Å; V491-M495 PolarHBondContact O-N 3.29Å; V491-F686 HydrophobicContact CG1-CD1 4.06Å
492T97.8Very high96.5Very high0 Ų050.5 Ų50.50%026%0.257CS..Hα-helixtrans-74.4-40.8178.7-50.20000111.1V445 R488 L489 P490 M495 V496 V683 F686 L687V445-T492 HydrophobicContact CG1-CG2 3.64Å; V445-T492 HydrophobicContact CG2-CG2 4.39Å; R488-T492 PolarHBondContact O-N 2.82Å; R488-T492 VanDerWaalsContact O-N 3.15Å; R488-T492 PolarHBondContact O-OG1 3.45Å; L489-T492 PolarHBondContact O-N 2.97Å; L489-T492 VanDerWaalsContact O-N 3.16Å; P490-T492 PolarHBondContact O-N 3.34Å; T492-M495 PolarHBondContact O-N 3.21Å; T492-V496 WeakPolarHBondContact O-CG2 3.42Å; T492-V496 PolarHBondContact O-N 3.5Å; T492-V683 HydrophobicContact CG2-CB 4.41Å; T492-V683 HydrophobicContact CG2-CG2 3.97Å; T492-F686 HydrophobicContact CG2-CB 4.35Å; T492-L687 HydrophobicContact CG2-CB 4.42Å
493N97.1Very high96.5Very high42 Ų4251 Ų5123%0.22526%0.258CS..Hα-helixtrans-63.1-42.9175.2-72.8-4000112.1L442 V445 L489 P490 M495 V496 H497L442-N493 HydrophobicContact CD2-CB 3.93Å; V445-N493 WeakPolarHBondContact CB-OD1 3.37Å; V445-N493 WeakPolarHBondContact CG1-OD1 3.26Å; L489-N493 PolarHBondContact O-N 3.32Å; P490-N493 PolarHBondContact O-N 3.35Å; N493-M495 VanDerWaalsContact C-N 3.35Å; N493-M495 PolarHBondContact O-N 3.2Å; N493-V496 PolarHBondContact O-N 3.05Å; N493-H497 WeakPolarHBondContact O-CB 3.04Å; N493-H497 PolarHBondContact O-N 2.89Å
494E97.7Very high96.4Very high126 Ų12650.1 Ų50.159%0.58925%0.25SS*.Hα-helixtrans-60.1-43.2174.4-75.7173.9-165.500111.6P490 H497 N498P490-E494 WeakPolarHBondContact O-CB 3.44Å; P490-E494 WeakPolarHBondContact O-CG 3.43Å; P490-E494 PolarHBondContact O-N 3.11Å; E494-H497 PolarHBondContact O-N 3.39Å; E494-N498 WeakPolarHBondContact O-CB 3.49Å; E494-N498 PolarHBondContact O-N 3.15Å; E494-N498 PolarHBondContact O-ND2 2.88Å
495M97.6Very high96.4Very high60 Ų6053.5 Ų53.530%0.29628%0.279SS..Hα-helixtrans-63.8-42.1175.3-175.762.6-170.500112.2V491 T492 N493 N498 L499 A682 F686V491-M495 PolarHBondContact O-N 3.29Å; T492-M495 PolarHBondContact O-N 3.21Å; N493-M495 VanDerWaalsContact C-N 3.35Å; N493-M495 PolarHBondContact O-N 3.2Å; M495-N498 PolarHBondContact O-N 3.33Å; M495-L499 HydrophobicContact CE-CD2 3.97Å; M495-L499 HydrophobicContact CE-CG 4.1Å; M495-L499 WeakPolarHBondContact O-CG 3.43Å; M495-L499 PolarHBondContact O-N 3.49Å; M495-A682 HydrophobicContact CG-CB 4.18Å; M495-F686 HydrophobicContact CB-CD2 4.24Å; M495-F686 HydrophobicContact CB-CE2 4.24Å; M495-F686 HydrophobicContact CE-CE2 4.44Å; M495-F686 HydrophobicContact CG-CD2 3.92Å; M495-F686 HydrophobicContact CG-CE2 3.6Å; M495-F686 HydrophobicContact CG-CZ 4.3Å; M495-F686 HydrophobicContact SD-CE2 4.09Å; M495-F686 HydrophobicContact SD-CZ 4.36Å
496V97.3Very high96.3Very high0 Ų061 Ų610%031%0.308CS..Hα-helixtrans-66.2-41.1177.7168.80000111.7L442 V445 T492 N493 L499 V500 V679L442-V496 HydrophobicContact CD2-CB 4.34Å; L442-V496 HydrophobicContact CD2-CG1 4.08Å; V445-V496 HydrophobicContact CG2-CB 4.44Å; V445-V496 HydrophobicContact CG2-CG2 3.85Å; T492-V496 WeakPolarHBondContact O-CG2 3.42Å; T492-V496 PolarHBondContact O-N 3.5Å; N493-V496 PolarHBondContact O-N 3.05Å; V496-L499 PolarHBondContact O-N 3.09Å; V496-V500 PolarHBondContact O-N 3.07Å; V496-V679 HydrophobicContact CG1-CG1 4.47Å; V496-V679 HydrophobicContact CG1-CG2 4.27Å; V496-V679 HydrophobicContact CG2-CG1 4.14Å
497H97.3Very high96.2Very high84 Ų8455.8 Ų55.839%0.38929%0.289SS..Hα-helixtrans-58-47.5170.4177.379.5000111.2E438 N493 E494 L499 V500 A501E438-H497 IonicContact OE1-CE1 2.66Å; E438-H497 PolarHBondContact OE1-CE1 2.61Å; E438-H497 IonicContact OE1-CG 3.56Å; E438-H497 IonicContact OE1-ND1 2.7Å; E438-H497 PolarHBondContact OE1-ND1 2.83Å; E438-H497 IonicContact OE2-ND1 3.61Å; N493-H497 WeakPolarHBondContact O-CB 3.04Å; N493-H497 PolarHBondContact O-N 2.89Å; E494-H497 PolarHBondContact O-N 3.39Å; H497-L499 VanDerWaalsContact C-N 3.35Å; H497-L499 PolarHBondContact O-N 3.26Å; H497-V500 PolarHBondContact O-N 3.01Å; H497-A501 WeakPolarHBondContact O-CB 3.4Å; H497-A501 PolarHBondContact O-N 3.48Å
498N97.1Very high96Very high80 Ų8053.6 Ų53.643%0.42828%0.282SS..Hα-helixtrans-61.6-38.4178.3-72.8-31.2000112.7E494 M495 V500 A501 I502E494-N498 WeakPolarHBondContact O-CB 3.49Å; E494-N498 PolarHBondContact O-N 3.15Å; E494-N498 PolarHBondContact O-ND2 2.88Å; M495-N498 PolarHBondContact O-N 3.33Å; N498-V500 PolarHBondContact O-N 2.72Å; N498-A501 PolarHBondContact O-N 2.89Å; N498-I502 WeakPolarHBondContact O-CB 3.39Å; N498-I502 WeakPolarHBondContact O-CD1 3.49Å; N498-I502 WeakPolarHBondContact O-CG1 3.48Å; N498-I502 PolarHBondContact O-N 3.05Å
499L96.8Very high95.6Very high34 Ų3454.6 Ų54.618%0.17829%0.293CS..Hα-helixtrans-58.9-45.2175.1-75172.9000111.9M495 V496 H497 I502 E503 V679 A682M495-L499 HydrophobicContact CE-CD2 3.97Å; M495-L499 HydrophobicContact CE-CG 4.1Å; M495-L499 WeakPolarHBondContact O-CG 3.43Å; M495-L499 PolarHBondContact O-N 3.49Å; V496-L499 PolarHBondContact O-N 3.09Å; H497-L499 VanDerWaalsContact C-N 3.35Å; H497-L499 PolarHBondContact O-N 3.26Å; L499-I502 PolarHBondContact O-N 3.09Å; L499-E503 PolarHBondContact O-N 3.37Å; L499-V679 HydrophobicContact CD1-CG2 4.49Å; L499-A682 HydrophobicContact CD1-CB 3.92Å
500V96Very high95.2Very high0 Ų061.2 Ų61.20%032%0.321CS..Hα-helixtrans-70.6-37.9176.5-175.50000111.2I434 E438 V496 H497 N498 I502 E503 L504 I675I434-V500 HydrophobicContact CG2-CG1 4.09Å; E438-V500 HydrophobicContact CB-CG1 4.21Å; E438-V500 HydrophobicContact CB-CG2 4.36Å; E438-V500 HydrophobicContact CG-CG2 4.49Å; V496-V500 PolarHBondContact O-N 3.07Å; H497-V500 PolarHBondContact O-N 3.01Å; N498-V500 PolarHBondContact O-N 2.72Å; V500-I502 VanDerWaalsContact C-N 3.31Å; V500-I502 PolarHBondContact O-N 3.24Å; V500-E503 PolarHBondContact O-N 3.28Å; V500-L504 HydrophobicContact CG1-CD1 4.22Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.34Å; V500-L504 PolarHBondContact O-N 3.34Å; V500-L504 VanDerWaalsContact O-N 3.1Å; V500-I675 HydrophobicContact CG2-CD1 4.18Å
501A96.1Very high94.9Very high36 Ų3660.2 Ų60.230%0.29831%0.31SS..Hα-helixtrans-62.5-34.7176.100000113.1H497 N498 L504 A505H497-A501 WeakPolarHBondContact O-CB 3.4Å; H497-A501 PolarHBondContact O-N 3.48Å; N498-A501 PolarHBondContact O-N 2.89Å; A501-L504 PolarHBondContact O-N 2.93Å; A501-A505 PolarHBondContact O-N 3.29Å
502I96Very high94.4Very high109 Ų10962 Ų6256%0.55932%0.323SS*.Hα-helixtrans-63.7-47174.7-72.8161.4000110.8N498 L499 V500 L504 A505N498-I502 WeakPolarHBondContact O-CB 3.39Å; N498-I502 WeakPolarHBondContact O-CD1 3.49Å; N498-I502 WeakPolarHBondContact O-CG1 3.48Å; N498-I502 PolarHBondContact O-N 3.05Å; L499-I502 PolarHBondContact O-N 3.09Å; V500-I502 VanDerWaalsContact C-N 3.31Å; V500-I502 PolarHBondContact O-N 3.24Å; I502-L504 PolarHBondContact O-N 3.4Å; I502-A505 WeakPolarHBondContact O-CB 3.36Å; I502-A505 PolarHBondContact O-N 3.3Å
503E94.5Very high93.7Very high38 Ų3866 Ų6618%0.17834%0.344CS..Hα-helixtrans-64.7-24176.4-67-75.4-168.300112.5I434 L499 V500 V671 N674 I675I434-E503 HydrophobicContact CG2-CB 4.01Å; L499-E503 PolarHBondContact O-N 3.37Å; V500-E503 PolarHBondContact O-N 3.28Å; E503-V671 HydrophobicContact CB-CG1 3.83Å; E503-V671 HydrophobicContact CG-CG1 3.81Å; E503-N674 PolarHBondContact OE1-ND2 3.23Å; E503-N674 VanDerWaalsContact OE1-ND2 3.15Å; E503-I675 HydrophobicContact CG-CD1 4.49Å
504L94.2Very high93.1Very high25 Ų2564.4 Ų64.413%0.13134%0.335CS..Hα-helixtrans-83-23.8172.5-66.6169.9000113.8K431 I434 K435 V500 A501 I502K431-L504 HydrophobicContact CB-CD2 3.82Å; K431-L504 WeakPolarHBondContact CD-O 3.43Å; K431-L504 WeakPolarHBondContact CE-O 3.26Å; K431-L504 HydrophobicContact CG-CD2 4.07Å; K431-L504 PolarHBondContact NZ-O 2.88Å; K431-L504 WeakPolarHBondContact O-CD2 3.31Å; I434-L504 HydrophobicContact CB-CD2 3.68Å; I434-L504 HydrophobicContact CB-CG 4.45Å; I434-L504 HydrophobicContact CG2-CD2 3.66Å; I434-L504 HydrophobicContact CG2-CG 3.88Å; K435-L504 HydrophobicContact CD-CD1 4.36Å; K435-L504 HydrophobicContact CG-CD1 3.49Å; K435-L504 VanDerWaalsContact CG-CD1 3.49Å; K435-L504 HydrophobicContact CG-CD2 3.88Å; K435-L504 HydrophobicContact CG-CG 4.35Å; V500-L504 HydrophobicContact CG1-CD1 4.22Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.34Å; V500-L504 PolarHBondContact O-N 3.34Å; V500-L504 VanDerWaalsContact O-N 3.1Å; A501-L504 PolarHBondContact O-N 2.93Å; I502-L504 PolarHBondContact O-N 3.4Å
505A95.2Very high91.7Very high76 Ų7660.7 Ų60.763%0.62833%0.326SS*.Hα-helixtrans-70.9-49.9-177.200000111.1K431 A501 I502K431-A505 PolarHBondContact NZ-O 3.34Å; A501-A505 PolarHBondContact O-N 3.29Å; I502-A505 WeakPolarHBondContact O-CB 3.36Å; I502-A505 PolarHBondContact O-N 3.3Å
506Y93.6Very high89.9Confident157 Ų15763.3 Ų63.362%0.61634%0.341SS*.  trans-131.5125.4-173.9-179.6-111.5000112.5N508Y506-N508 HydrophobicContact CD1-CB 4.19Å; Y506-N508 HydrophobicContact CE1-CB 3.65Å
507I93.5Very high88Confident9 Ų964.4 Ų64.45%0.04635%0.35CS..  trans-100.4112175.7-70.2175.1000108.6F426 E427 V430 K431 T509 Y667F426-I507 HydrophobicContact CE1-CG2 3.75Å; F426-I507 HydrophobicContact CZ-CG2 4.11Å; E427-I507 HydrophobicContact CB-CD1 3.96Å; E427-I507 HydrophobicContact CG-CD1 4.05Å; V430-I507 HydrophobicContact CB-CD1 4.04Å; V430-I507 HydrophobicContact CG1-CD1 3.78Å; V430-I507 HydrophobicContact CG1-CG1 4.48Å; K431-I507 HydrophobicContact CD-CD1 4.44Å; K431-I507 HydrophobicContact CG-CD1 3.94Å; I507-T509 HydrophobicContact CG2-CG2 4.37Å; I507-T509 PolarHBondContact O-N 3.49Å; I507-Y667 WeakPolarHBondContact CA-OH 3.11Å; I507-Y667 HydrophobicContact CB-CE1 4.43Å; I507-Y667 HydrophobicContact CG1-CE1 4.16Å; I507-Y667 HydrophobicContact CG2-CD1 4.35Å; I507-Y667 HydrophobicContact CG2-CD2 4.25Å; I507-Y667 HydrophobicContact CG2-CE1 3.97Å; I507-Y667 HydrophobicContact CG2-CE2 3.89Å; I507-Y667 HydrophobicContact CG2-CG 4.48Å
508N91.9Very high86.3Confident53 Ų5362.2 Ų62.228%0.28334%0.344SS..  trans-90.787.3-176.1-173.37.3000111.9Y506 K510 H511 Y667Y506-N508 HydrophobicContact CD1-CB 4.19Å; Y506-N508 HydrophobicContact CE1-CB 3.65Å; N508-K510 PolarHBondContact O-N 3.35Å; N508-K510 WeakPolarHBondContact OD1-CB 3.43Å; N508-K510 PolarHBondContact OD1-N 3.06Å; N508-H511 WeakPolarHBondContact O-CB 3.36Å; N508-H511 PolarHBondContact O-N 3.19Å; N508-Y667 PolarHBondContact N-OH 3.48Å
509T87.4Confident84.4Confident66 Ų6659.9 Ų59.941%0.40534%0.339SS..THydrogen-bonded Turntrans-64.6-417555.90000114.4F426 I507 F514F426-T509 HydrophobicContact CE1-CG2 4.21Å; I507-T509 HydrophobicContact CG2-CG2 4.37Å; I507-T509 PolarHBondContact O-N 3.49Å; T509-F514 HydrophobicContact CG2-CE1 4.17Å; T509-F514 WeakPolarHBondContact O-CD1 3.2Å
510K88Confident82.3Confident178 Ų17863.3 Ų63.377%0.77436%0.357SS*.THydrogen-bonded Turntrans-100.511172.8-59-177.7179.5178.50113.7N508N508-K510 PolarHBondContact O-N 3.35Å; N508-K510 WeakPolarHBondContact OD1-CB 3.43Å; N508-K510 PolarHBondContact OD1-N 3.06Å
511H89.6Confident80.4Confident42 Ų4264.5 Ų64.519%0.19436%0.363CS..  trans-58.8133.4173.9-170.4-77.8000110.5N508 D513 F514 A515N508-H511 WeakPolarHBondContact O-CB 3.36Å; N508-H511 PolarHBondContact O-N 3.19Å; H511-D513 IonicContact CE1-OD2 2.68Å; H511-D513 PolarHBondContact ND1-N 3.23Å; H511-D513 PolarHBondContact O-N 2.9Å; H511-F514 HydrophobicContact CB-CB 3.99Å; H511-F514 WeakPolarHBondContact O-CA 3.42Å; H511-F514 WeakPolarHBondContact O-CB 3.42Å; H511-F514 PolarHBondContact O-N 3.01Å; H511-A515 PolarHBondContact O-N 3.44Å
512P87.4Confident78.5Confident86 Ų8667.8 Ų67.856%0.55838%0.376SS*.Hα-helixtrans-51-55.4-176.3-29.235.8000113.4F514 A515 D516P512-F514 PolarHBondContact O-N 3.38Å; P512-A515 PolarHBondContact O-N 3.02Å; P512-D516 PolarHBondContact O-N 3.48Å; P512-D516 VanDerWaalsContact O-N 3.12Å
513D84.4Confident76.2Confident86 Ų8667.4 Ų67.446%0.4638%0.375SS..Hα-helixtrans-61.4-19.2179.4-533.2000113.9H511 I670H511-D513 IonicContact CE1-OD2 2.68Å; H511-D513 PolarHBondContact ND1-N 3.23Å; H511-D513 PolarHBondContact O-N 2.9Å; D513-I670 HydrophobicContact CB-CD1 3.83Å; D513-I670 HydrophobicContact CB-CG1 4.14Å
514F84.2Confident74Confident7 Ų769.2 Ų69.23%0.03139%0.386CS..Hα-helixtrans-90.2-34.7176.4-171.4-105.3000112F426 T509 H511 P512 A517 C518 L663 Y667 I670F426-F514 HydrophobicContact CE2-CZ 4.26Å; F426-F514 HydrophobicContact CZ-CE2 4.34Å; F426-F514 AromaticContact CZ-CZ 3.84Å; F426-F514 HydrophobicContact CZ-CZ 3.84Å; T509-F514 HydrophobicContact CG2-CE1 4.17Å; T509-F514 WeakPolarHBondContact O-CD1 3.2Å; H511-F514 HydrophobicContact CB-CB 3.99Å; H511-F514 WeakPolarHBondContact O-CA 3.42Å; H511-F514 WeakPolarHBondContact O-CB 3.42Å; H511-F514 PolarHBondContact O-N 3.01Å; P512-F514 PolarHBondContact O-N 3.38Å; F514-A517 PolarHBondContact O-N 2.91Å; F514-C518 PolarHBondContact O-N 3.41Å; F514-C518 PolarHBondContact O-SG 3.31Å; F514-L663 HydrophobicContact CE1-CD2 4.49Å; F514-L663 HydrophobicContact CE2-CD2 4.19Å; F514-L663 HydrophobicContact CZ-CB 4.43Å; F514-L663 HydrophobicContact CZ-CD2 3.72Å; F514-Y667 AromaticContact CD2-CD2 3.94Å; F514-Y667 HydrophobicContact CD2-CD2 3.94Å; F514-Y667 HydrophobicContact CD2-CG 4.49Å; F514-Y667 HydrophobicContact CE2-CD2 4.1Å; F514-Y667 HydrophobicContact CE2-CG 4.4Å; F514-Y667 HydrophobicContact CG-CD2 4.19Å; F514-Y667 HydrophobicContact CZ-CD2 4.47Å; F514-I670 HydrophobicContact CB-CD1 3.81Å; F514-I670 HydrophobicContact CD2-CD1 4.44Å
515A67.2Low72.2Confident48 Ų4872.2 Ų72.240%0.39740%0.401SS..Hα-helixtrans-64.6-42.3174.800000111.5H511 P512 C518 G519H511-A515 PolarHBondContact O-N 3.44Å; P512-A515 PolarHBondContact O-N 3.02Å; A515-C518 PolarHBondContact O-N 2.95Å; A515-G519 PolarHBondContact O-N 3.35Å
516D59.4Low70.2Confident115 Ų11573.9 Ų73.962%0.61540%0.396SS*.Hα-helixtrans-65.1-39.7175.9-75.2-17.8000112.1P512 C518 G519 L520P512-D516 PolarHBondContact O-N 3.48Å; P512-D516 VanDerWaalsContact O-N 3.12Å; D516-C518 VanDerWaalsContact C-N 3.31Å; D516-C518 PolarHBondContact O-N 3.17Å; D516-G519 PolarHBondContact O-N 3Å; D516-L520 WeakPolarHBondContact O-CG 3.42Å; D516-L520 PolarHBondContact O-N 3.42Å
517A59Low68Low23 Ų2372 Ų7219%0.1939%0.393CS..Hα-helixtrans-61.2-38.8173.700000112.1F514 M521 S666F514-A517 PolarHBondContact O-N 2.91Å; A517-M521 WeakPolarHBondContact O-CG 3.39Å; A517-M521 PolarHBondContact O-N 3.13Å; A517-S666 WeakPolarHBondContact CB-OG 3.5Å
518C60.4Low66Low38 Ų3877.4 Ų77.426%0.25742%0.418SS..Hα-helixtrans-71.4-38.5174-65.30000112.7F514 A515 D516 L520 M521 N522F514-C518 PolarHBondContact O-N 3.41Å; F514-C518 PolarHBondContact O-SG 3.31Å; A515-C518 PolarHBondContact O-N 2.95Å; D516-C518 VanDerWaalsContact C-N 3.31Å; D516-C518 PolarHBondContact O-N 3.17Å; C518-L520 PolarHBondContact O-N 3.48Å; C518-M521 WeakPolarHBondContact O-CB 3.32Å; C518-M521 PolarHBondContact O-N 3.28Å; C518-M521 VanDerWaalsContact O-N 3.15Å; C518-N522 PolarHBondContact O-N 2.97Å
519G57.1Low64.3Low32 Ų3283.2 Ų83.233%0.3344%0.435SS..Hα-helixtrans-61.5-42.9176.200000112.5A515 D516 M521 N522 N523A515-G519 PolarHBondContact O-N 3.35Å; D516-G519 PolarHBondContact O-N 3Å; G519-M521 VanDerWaalsContact C-N 3.27Å; G519-M521 PolarHBondContact O-N 3.25Å; G519-N522 PolarHBondContact O-N 2.64Å; G519-N523 PolarHBondContact O-N 3.27Å
520L53.5Low62.7Low106 Ų10688.9 Ų88.956%0.55545%0.449SS*.Hα-helixtrans-66.2-24.6175-69.4169.8000113.2D516 C518 N524D516-L520 WeakPolarHBondContact O-CG 3.42Å; D516-L520 PolarHBondContact O-N 3.42Å; C518-L520 PolarHBondContact O-N 3.48Å; L520-N524 PolarHBondContact O-N 3.5Å; L520-N524 PolarHBondContact O-ND2 2.98Å
521M55.9Low61Low24 Ų2485.9 Ų85.912%0.11844%0.442CS..Hα-helixtrans-68.9-46.3172.4-67.7167.9-172.700111.7A517 C518 G519 N523 N524 I525 R662 L663A517-M521 WeakPolarHBondContact O-CG 3.39Å; A517-M521 PolarHBondContact O-N 3.13Å; C518-M521 WeakPolarHBondContact O-CB 3.32Å; C518-M521 PolarHBondContact O-N 3.28Å; C518-M521 VanDerWaalsContact O-N 3.15Å; G519-M521 VanDerWaalsContact C-N 3.27Å; G519-M521 PolarHBondContact O-N 3.25Å; M521-N523 PolarHBondContact O-N 2.92Å; M521-N524 PolarHBondContact O-N 2.97Å; M521-I525 WeakPolarHBondContact O-CG1 3.49Å; M521-I525 PolarHBondContact O-N 2.84Å; M521-I525 VanDerWaalsContact O-N 3.14Å; M521-R662 HydrophobicContact CE-CB 4.04Å; M521-R662 HydrophobicContact CE-CG 3.7Å; M521-L663 HydrophobicContact CE-CD2 4.01Å; M521-L663 HydrophobicContact CE-CG 4.44Å; M521-L663 HydrophobicContact SD-CD2 4.21Å
522N55.3Low59.3Low105 Ų10592.6 Ų92.656%0.56147%0.466SS*.Hα-helixtrans-60.4-45-179.2-77.3-18.2000111.6C518 G519 N524 I525 E526C518-N522 PolarHBondContact O-N 2.97Å; G519-N522 PolarHBondContact O-N 2.64Å; N522-N524 PolarHBondContact O-N 2.9Å; N522-I525 PolarHBondContact O-N 2.89Å; N522-I525 VanDerWaalsContact O-N 3.17Å; N522-E526 PolarHBondContact O-N 3.29Å
523N47.6Very low57.7Low101 Ų10194.5 Ų94.554%0.5447%0.47SS..Hα-helixtrans-60.3-43.8179.7-65.8-11000112.5G519 M521 I525 E526 E527G519-N523 PolarHBondContact O-N 3.27Å; M521-N523 PolarHBondContact O-N 2.92Å; N523-I525 VanDerWaalsContact C-N 3.33Å; N523-I525 PolarHBondContact O-N 3.44Å; N523-E526 PolarHBondContact O-N 3.41Å; N523-E527 WeakPolarHBondContact O-CB 3.41Å; N523-E527 PolarHBondContact O-N 2.88Å
524N49.5Very low56.2Low77 Ų7794.4 Ų94.441%0.41248%0.482SS..Hα-helixtrans-65-34.9177.1-83.6-77.4000112.7L520 M521 N522 Q528L520-N524 PolarHBondContact O-N 3.5Å; L520-N524 PolarHBondContact O-ND2 2.98Å; M521-N524 PolarHBondContact O-N 2.97Å; N522-N524 PolarHBondContact O-N 2.9Å; N524-Q528 WeakPolarHBondContact O-CG 3.26Å; N524-Q528 PolarHBondContact O-N 3.4Å; N524-Q528 VanDerWaalsContact O-N 3.11Å
525I56.7Low54.8Low88 Ų88104.7 Ų104.745%0.45152%0.52SS..Hα-helixtrans-71.6-37.9177.3-66.8165.6000110.9M521 N522 N523 R529M521-I525 WeakPolarHBondContact O-CG1 3.49Å; M521-I525 PolarHBondContact O-N 2.84Å; M521-I525 VanDerWaalsContact O-N 3.14Å; N522-I525 PolarHBondContact O-N 2.89Å; N522-I525 VanDerWaalsContact O-N 3.17Å; N523-I525 VanDerWaalsContact C-N 3.33Å; N523-I525 PolarHBondContact O-N 3.44Å; I525-R529 PolarHBondContact O-N 3.05Å
526E52.4Low53.6Low110 Ų110110.3 Ų110.351%0.51454%0.538SS..Hα-helixtrans-68.1-38.8174-70.6-156.8154.400113N522 N523 R529 R530N522-E526 PolarHBondContact O-N 3.29Å; N523-E526 PolarHBondContact O-N 3.41Å; E526-R529 CarbonylContact O-C 3.59Å; E526-R529 WeakPolarHBondContact O-CA 3.29Å; E526-R529 WeakPolarHBondContact O-CB 3.38Å; E526-R529 PolarHBondContact O-N 3.48Å; E526-R529 VanDerWaalsContact O-N 3.1Å; E526-R530 PolarHBondContact O-N 3.26Å
527E47.6Very low52.6Low119 Ų119112.4 Ų112.456%0.55655%0.549SS*.Hα-helixtrans-66.3-40.5177.3-166.4165.5-14300111.8N523 R529 R530 N531N523-E527 WeakPolarHBondContact O-CB 3.41Å; N523-E527 PolarHBondContact O-N 2.88Å; E527-R529 VanDerWaalsContact C-N 3.29Å; E527-R529 PolarHBondContact O-N 2.98Å; E527-R530 PolarHBondContact O-N 3.1Å; E527-N531 PolarHBondContact O-N 3.47Å
528Q51.4Low51.6Low122 Ų122117.4 Ų117.457%0.5758%0.579SS**Hα-helixtrans-64.2-30.6169.3-73.6-170.1700113.3N524 R532N524-Q528 WeakPolarHBondContact O-CG 3.26Å; N524-Q528 PolarHBondContact O-N 3.4Å; N524-Q528 VanDerWaalsContact O-N 3.11Å; Q528-R532 WeakPolarHBondContact O-CG 3.29Å; Q528-R532 PolarHBondContact O-N 3.25Å
529R56.6Low50.4Low174 Ų174121.4 Ų121.466%0.65761%0.608SS**Hα-helixtrans-69.4-45.6172.2-102.7177.3168.9166.1-3.1111.9I525 E526 E527 N531 R532 L533I525-R529 PolarHBondContact O-N 3.05Å; E526-R529 CarbonylContact O-C 3.59Å; E526-R529 WeakPolarHBondContact O-CA 3.29Å; E526-R529 WeakPolarHBondContact O-CB 3.38Å; E526-R529 PolarHBondContact O-N 3.48Å; E526-R529 VanDerWaalsContact O-N 3.1Å; E527-R529 VanDerWaalsContact C-N 3.29Å; E527-R529 PolarHBondContact O-N 2.98Å; R529-N531 VanDerWaalsContact C-N 3.35Å; R529-N531 PolarHBondContact O-N 3.28Å; R529-R532 PolarHBondContact O-N 3.06Å; R529-R532 VanDerWaalsContact O-N 3.16Å; R529-L533 PolarHBondContact O-N 3.33Å; R529-L533 VanDerWaalsContact O-N 3.11Å
530R54.2Low49.2Very low185 Ų185124.2 Ų124.270%0.69863%0.628SS**Hα-helixtrans-57.1-46.4175.2-87.5-176.2177.3142.54.8111.7E526 E527 R532 L533 A534E526-R530 PolarHBondContact O-N 3.26Å; E527-R530 PolarHBondContact O-N 3.1Å; R530-R532 PolarHBondContact O-N 3.19Å; R530-L533 PolarHBondContact O-N 2.92Å; R530-A534 WeakPolarHBondContact O-CB 3.32Å; R530-A534 PolarHBondContact O-N 3.09Å
531N51.3Low48.2Very low116 Ų116126.3 Ų126.362%0.6265%0.645SS**Hα-helixtrans-67.3-16.3179.8-75.2-22.1000114.4E527 R529E527-N531 PolarHBondContact O-N 3.47Å; R529-N531 VanDerWaalsContact C-N 3.35Å; R529-N531 PolarHBondContact O-N 3.28Å
532R54.1Low47.1Very low183 Ų183130.3 Ų130.369%0.69168%0.675SS**Hα-helixtrans-85-45.8170.1-70176.2-170.7-167.94.1111.8Q528 R529 R530 A534 R535Q528-R532 WeakPolarHBondContact O-CG 3.29Å; Q528-R532 PolarHBondContact O-N 3.25Å; R529-R532 PolarHBondContact O-N 3.06Å; R529-R532 VanDerWaalsContact O-N 3.16Å; R530-R532 PolarHBondContact O-N 3.19Å; R532-A534 VanDerWaalsContact C-N 3.31Å; R532-A534 PolarHBondContact O-N 3.23Å; R532-R535 WeakPolarHBondContact O-CB 3.44Å; R532-R535 PolarHBondContact O-N 2.92Å
533L54.4Low45.9Very low125 Ų125136.8 Ų136.865%0.65469%0.692SS**Hα-helixtrans-64.8-32.3179.1-73.2164000113R529 R530 R535R529-L533 PolarHBondContact O-N 3.33Å; R529-L533 VanDerWaalsContact O-N 3.11Å; R530-L533 PolarHBondContact O-N 2.92Å; L533-R535 PolarHBondContact O-N 2.68Å
534A53.1Low44.9Very low85 Ų85137.7 Ų137.770%0.70270%0.696SS**THydrogen-bonded Turntrans-67-2.7175.800000114.6R530 R532R530-A534 WeakPolarHBondContact O-CB 3.32Å; R530-A534 PolarHBondContact O-N 3.09Å; R532-A534 VanDerWaalsContact C-N 3.31Å; R532-A534 PolarHBondContact O-N 3.23Å
535R53.4Low44Very low222 Ų222141.8 Ų141.884%0.83871%0.711SS**THydrogen-bonded Turntrans-107.7-0.6-172.3-138174.3-173.7177.11.9114.8R532 L533R532-R535 WeakPolarHBondContact O-CB 3.44Å; R532-R535 PolarHBondContact O-N 2.92Å; L533-R535 PolarHBondContact O-N 2.68Å
536E42.3Very low42.5Very low166 Ų166143.2 Ų143.278%0.77673%0.729SS**SBendtrans-117.133.5-171.6-65.4-170.1153.100114.8
537L38.4Very low41.3Very low159 Ų159143.3 Ų143.383%0.83274%0.741SS**  trans-123.9126.4173.3-85.3153.8000111.4
538P39.1Very low40.3Very low128 Ų128146.6 Ų146.683%0.83175%0.754SS**  trans-75.9141.1-178.7-14.529.8000113.6
539S34.7Very low39.2Very low122 Ų122147 Ų14785%0.85376%0.764SS**  trans-79.3135.8179.757.20000113.7
540A31.1Very low38.7Very low92 Ų92144.1 Ų144.176%0.7677%0.768SS**  trans-146.9120.5166.800000113.8
541V32.1Very low37.3Very low149 Ų149141 Ų14190%0.90378%0.775SS**  trans73.9132.8157.1-161.30000119.9
542S33.6Very low36.2Very low108 Ų108139.1 Ų139.176%0.75578%0.775SS**  trans-100.2147.8179.8-23.60000113
543R30Very low35.1Very low242 Ų242138.6 Ų138.691%0.91379%0.785SS**  trans-172.9121.6141-114.4175.9169.1161.9-2.7116.7
544D27Very low33.8Very low119 Ų119136.7 Ų136.764%0.63679%0.787SS**  42.4128.1129.7-128.57.9000124.4
545K30Very low33Very low164 Ų164138.3 Ų138.371%0.71379%0.79SS**  trans69.4130.8138.8-85.4165.7-162.7138.70126
546S26.3Very low31.8Very low118 Ų118131.8 Ų131.883%0.82578%0.784SS**  trans74153141.6740000117.8
547S26.9Very low31.2Very low111 Ų111129 Ų12978%0.77678%0.783SS**  cis-155.4154.811.452.30000115.3
548K26.8Very low30.8Very low189 Ų189130.8 Ų130.882%0.82279%0.787SS**  trans-8.3130.7157.3-78-180178.3-178.80122.3
549V27.1Very low30.2Very low131 Ų131133.2 Ų133.279%0.79479%0.787SS**  56.5154.6104.1171.60000118.7
550P46.1Very low30.5Very low113 Ų113132 Ų13273%0.73478%0.776SS**  cis-136.8-176.87.429.6-5.4000119
551S26.7Very low30.3Very low120 Ų120132.6 Ų132.684%0.83978%0.775SS**  trans80.5146.3144.7-130.70000118.6
552A27.8Very low30.7Very low75 Ų75131.6 Ų131.662%0.6277%0.772SS**  cis-157.7169.915.400000114.6
553L29.5Very low30.4Very low172 Ų172131.3 Ų131.390%0.90178%0.776SS**  trans74.6118.7149.4-72.1155.1000121.9
554A27.8Very low30.3Very low86 Ų86124.4 Ų124.471%0.71177%0.771SS**  trans-91.3172.8153.400000110.3
555P36.3Very low30.3Very low118 Ų118123.7 Ų123.777%0.76678%0.775SS**  -135.6154.181.232.3-13.9000112.8
556A28.3Very low30.3Very low85 Ų85120 Ų12070%0.70278%0.776SS**  48.91277400000112.5
557S29.9Very low30.3Very low109 Ų109123.4 Ų123.476%0.76278%0.778SS**  cis-156.9170.831.2-53.80000108.2
558Q29.1Very low30.3Very low195 Ų195123 Ų12391%0.91178%0.781SS**  cis-158.6158.749.1-77.3178.3-44.200113.7
559E26.5Very low30.4Very low179 Ų179121.6 Ų121.684%0.83678%0.783SS**  trans-80.7-171.5177.7-95.8-179.4179.600114.7
560P42.4Very low30.2Very low96 Ų96119 Ų11962%0.62378%0.783SS**  cis-144.7171.3-30.536.4-18000116.9
561S27.2Very low29.4Very low106 Ų106123.3 Ų123.374%0.74179%0.79SS**  trans62.1169.5136.7780000121.8
562P38.8Very low29.3Very low128 Ų128124.7 Ų124.783%0.83179%0.787SS**  cis-123.9175.9-4.726.1-2.9000116.2
563A27Very low29.3Very low101 Ų101128 Ų12884%0.83579%0.793SS**  trans-108.8159.4-175.700000113.6
564A28.2Very low29.1Very low98 Ų98127 Ų12781%0.8178%0.784SS**  trans-179.7145.6152.700000107.8
565S27.6Very low29Very low104 Ų104129 Ų12973%0.72778%0.782SS**  cis-169.8146.5-3.245.80000109.8
566A29.2Very low28.5Very low87 Ų87127.4 Ų127.472%0.71977%0.774SS**  trans49.2151.7141.900000121.6
567E26.4Very low28.3Very low189 Ų189133.4 Ų133.488%0.88378%0.778SS**  cis-170.1150.2-14.3-109.9172.217400106.4
568A27.9Very low28Very low101 Ų101136.5 Ų136.584%0.83577%0.773SS**  trans-177.8118.9145.100000111.9
569D27.6Very low27.8Very low161 Ų161133.7 Ų133.786%0.86176%0.76SS**  trans-34.3138.7179.4-70.2-75.4000120.5
570G23.8Very low27.7Very low77 Ų77130.5 Ų130.579%0.79475%0.753SS**  trans-132.7116.2148.400000109.7
571K28.4Very low26.8Very low203 Ų203134.6 Ų134.688%0.88376%0.761SS**  trans-101131-174.2-139.4173.4-169.6172.30112.4
572L25.5Very low26.8Very low148 Ų148136 Ų13678%0.77576%0.76SS**  trans-62.3161.4172.2-65.4113.3000111.4
573I27.5Very low26.2Very low146 Ų146136.2 Ų136.275%0.74976%0.759SS**  -170.1118.180.7-86.5168.5000105.7
574Q26.4Very low26.1Very low151 Ų151135 Ų13571%0.70675%0.749SS**  61.1115.889.7-160.1177.5-1.700111.3
575D24.9Very low26Very low127 Ų127136.3 Ų136.368%0.67975%0.752SS**  -168.2153.474.5-135.3-31.4000116.6
576S25.3Very low25.8Very low84 Ų84135 Ų13559%0.58776%0.755SS**  trans47.2105141.6-72.50000125.1
577R24Very low25.6Very low212 Ų212134.9 Ų134.980%0.876%0.762SS**  71.9120.1110.6-80.2-176.9164.7167.7-0.2123.2
578R24.9Very low25.6Very low174 Ų174130.1 Ų130.166%0.65776%0.764SS**  85.4127.2121.1-83.4-173146.2162.4-5.3122
579E23.8Very low25.4Very low135 Ų135128.7 Ų128.763%0.63176%0.759SS**  60.4138.6129.2-62.9165.2-173.100118.4
580T24.1Very low25.4Very low112 Ų112128.3 Ų128.369%0.68776%0.762SS**  cis-169158.4-6.115.80000107.8
581K25.2Very low25.5Very low182 Ų182127.9 Ų127.979%0.79176%0.758SS**  trans51.2131.2148.1-70.5-179.7178.7179.70117.9
582N25.9Very low25.4Very low135 Ų135126.2 Ų126.272%0.72276%0.758SS**  175.5158.560.2-125.30.2000111.9
583V26.4Very low25.5Very low134 Ų134122.4 Ų122.481%0.81276%0.755SS**  trans69.2147.1143.71760000120.2
584A26.1Very low25.4Very low76 Ų76121.4 Ų121.463%0.62876%0.756SS**  trans-88.8168.4-171.900000114.9
585S25.1Very low25.3Very low125 Ų125123.1 Ų123.187%0.87476%0.764SS**  trans56.1130.1155.3600000118.7
586G23.5Very low25.1Very low75 Ų75125.7 Ų125.777%0.77377%0.771SS**  cis162.7167.8-2.700000111.2
587G25.1Very low25.9Very low85 Ų85126 Ų12688%0.87677%0.772SS**  trans63.7107.7153.900000120.3
588G26Very low25.8Very low90 Ų90121.6 Ų121.693%0.92877%0.769SS**  106.7139.6115.300000119.3
589G23.7Very low25.8Very low71 Ų71119.1 Ų119.173%0.73277%0.773SS**  trans159.3147.1159.300000113.5
590V27.9Very low26Very low152 Ų152115.7 Ų115.792%0.92177%0.774SS**  cis-157.3151.7-16.2162.50000107
591G25.6Very low26Very low68 Ų68118.5 Ų118.570%0.70179%0.785SS**  trans121.3140.4147.800000115.8
592D26.5Very low26.1Very low168 Ų168119.7 Ų119.790%0.89878%0.784SS**  cis-163166.6-11-16814.7000109
593G26.7Very low26.3Very low68 Ų68122.3 Ų122.370%0.70178%0.784SS**  trans135.4128.2168.600000115.5
594V26.7Very low26.1Very low126 Ų126119 Ų11976%0.76478%0.777SS**  trans-130.9152.4-165.61640000112.7
595Q24.7Very low26.2Very low187 Ų187122.1 Ų122.187%0.87478%0.78SS**  trans96.8138.1159.1-94.3163.815.800121.8
596E20.4Very low26.3Very low180 Ų180121.8 Ų121.884%0.84177%0.768SS**  trans-67.6-177.7-177.2-99.5-169.6150.500116
597P42.1Very low26.4Very low92 Ų92126.9 Ų126.960%0.59777%0.769SS**  cis-136.4-166.7-17.625.1-0.7000113.7
598T21.3Very low26.3Very low119 Ų119128.9 Ų128.973%0.7376%0.764SS**  trans101.4127148.674.70000120.8
599T26Very low26.3Very low121 Ų121129.1 Ų129.174%0.74275%0.752SS**  trans30.2135.6140.1610000121.2
600G26.5Very low26.4Very low64 Ų64135.1 Ų135.166%0.6676%0.758SS**  cis155.3179.7-0.200000111.7
601N24.1Very low26.4Very low171 Ų171131.6 Ų131.691%0.91475%0.745SS**  trans-142110.2164.2-134.533.2000110.1
602W28.5Very low26.5Very low206 Ų206136.2 Ų136.278%0.7875%0.748SS**  trans-87.9143.9176.4-71.376.8000108.7
603R29.3Very low26.6Very low190 Ų190135.9 Ų135.972%0.71774%0.741SS**  cis100.9122.234.2-168.1-170.3-155.3-923.2113
604G23.5Very low26.6Very low64 Ų64139.3 Ų139.366%0.6674%0.742SS**  trans-155.8112.615200000107.2
605M27.5Very low26.7Very low143 Ų143141.1 Ų141.170%0.70475%0.747SS**  67.4127.784.8-75.1175.656.500112.4
606L26.5Very low26.9Very low118 Ų118137 Ų13762%0.61875%0.745SS**  cis-163.9149.69.1-102.6163.9000110.2
607K26.2Very low27.2Very low182 Ų182137.1 Ų137.179%0.79175%0.746SS**  trans51.9153.8144.3-70.8179.9-178.1178.40119.3
608T23.4Very low26.5Very low126 Ų126139.8 Ų139.877%0.77375%0.75SS**  cis-169.5167.7-0.815.40000106.3
609S25.9Very low26.9Very low96 Ų96142.8 Ų142.867%0.67175%0.753SS**  cis-174.2170.1-4.448.10000109.4
610K24.5Very low27Very low197 Ų197142 Ų14286%0.85775%0.753SS**  trans78.2121.6168.3-67.6-174.2168-171.70116
611A27.6Very low27.1Very low78 Ų78148.8 Ų148.865%0.64576%0.764SS**  87.8140.95000000111.5
612E28.4Very low27.6Very low164 Ų164145.5 Ų145.577%0.76675%0.752SS**  cis-156.613714-119.5140.8-148.200107.5
613E28Very low27.8Very low161 Ų161142.3 Ų142.375%0.75275%0.749SS**  77.6148.194.9-70.9-156.9147.700116.2
614L28.4Very low28Very low140 Ų140139.7 Ų139.773%0.73376%0.756SS**  cis-156.5175.52.7-122.6169.5000112.8
615L28.1Very low28.5Very low164 Ų164143.5 Ų143.586%0.85976%0.76SS**  trans-97.5163.7178.2-67.3152.1000112.8
616A28.1Very low28.6Very low101 Ų101144.9 Ų144.984%0.83577%0.767SS**  trans-168.7143.4138.500000113.8
617E27.5Very low29.4Very low183 Ų183144.3 Ų144.386%0.85577%0.77SS**  trans-93160.7166-56171.7110.900110.8
618E26.4Very low29.5Very low148 Ų148140 Ų14069%0.69277%0.769SS**  175.9136.4118-96.6-146.4140.700116.2
619K30Very low29.8Very low181 Ų181139.5 Ų139.579%0.78777%0.77SS**  trans55.7163.3138.6-72.3178.7-176.9146.70123.4
620S27.7Very low30.6Very low106 Ų106141.2 Ų141.274%0.74178%0.779SS**  trans-127.1152.5-165.753.70000112.7
621K30.3Very low31.2Very low205 Ų205140.9 Ų140.989%0.89178%0.78SS**  trans179.8166.6139.2-100.2172.7-177.5-175.60112.3
622P33.2Very low31.6Very low103 Ų103147 Ų14767%0.66979%0.793SS**  trans-109.5156.2-14940.2-37.5000118.4
623I34.4Very low32.5Very low139 Ų139142.9 Ų142.971%0.71379%0.794SS**  trans41.1126.8139.9-49.1163.5000119.1I625I623-I625 HydrophobicContact CG2-CD1 4.48Å; I623-I625 HydrophobicContact CG2-CG1 3.96Å
624P31.5Very low33.2Very low134 Ų134143.7 Ų143.787%0.8780%0.798SS**  -121.9154.2112.8-3.223.5000114.5
625I34.8Very low33.9Very low144 Ų144142 Ų14274%0.73880%0.803SS**  trans-96.9137.9174.1-65.7157.7000109.2I623I623-I625 HydrophobicContact CG2-CD1 4.48Å; I623-I625 HydrophobicContact CG2-CG1 3.96Å
626M28.6Very low34.7Very low172 Ų172139.5 Ų139.585%0.84780%0.795SS**  trans-178161.1142.4-93.3-90.1105.100109.8
627P43.8Very low35.7Very low107 Ų107139.8 Ų139.870%0.69578%0.782SS**  trans-119.1-178.4-14343.3-35.8000116.8
628A29.3Very low36.6Very low91 Ų91137.9 Ų137.975%0.75278%0.777SS**  trans103.2107.9151.700000118.8
629S29.4Very low37.6Very low116 Ų116138.2 Ų138.281%0.81178%0.783SS**  -166.8134120.4-80.90000110.5
630P42.3Very low38.3Very low131 Ų131135.8 Ų135.885%0.85178%0.779SS**  trans-89.6127.2-179.733.3-31.3000111.8
631Q37Very low38.8Very low190 Ų190135.4 Ų135.489%0.88877%0.772SS**  trans-125.6116.9164.8-74.2-163.7-14.500112.2G633Q631-G633 PolarHBondContact O-N 2.86Å
632K36.4Very low39.2Very low207 Ų207131 Ų13190%0.976%0.764SS**  trans7.9100.3162.1-67177.9176.5178.30117.8
633G46.6Very low39.7Very low77 Ų77130.8 Ų130.879%0.79476%0.76SS**  46.387.7126.600000118Q631Q631-G633 PolarHBondContact O-N 2.86Å
634H43.5Very low40Very low179 Ų179127.9 Ų127.983%0.82975%0.75SS**  trans-96.7130.9141.4-81.445.2000108.1V636H634-V636 PolarHBondContact O-N 3.23Å
635A43.4Very low40.8Very low103 Ų103129 Ų12985%0.85176%0.755SS**  trans-70.2110.2172.100000108.6N637A635-N637 PolarHBondContact O-N 3.24Å; A635-N637 VanDerWaalsContact O-N 3.12Å
636V45.1Very low41.4Very low113 Ų113126.7 Ų126.769%0.68576%0.757SS**  trans-74104174.2-174.50000107.7H634 L638H634-V636 PolarHBondContact O-N 3.23Å; V636-L638 HydrophobicContact CB-CD1 4.38Å; V636-L638 HydrophobicContact CG1-CD1 3.98Å; V636-L638 PolarHBondContact O-N 3.25Å
637N48Very low42.8Very low107 Ų107126.2 Ų126.257%0.57275%0.746SS**  trans-73.493.3178.6-159.415.4000109.2A635 L639 D640A635-N637 PolarHBondContact O-N 3.24Å; A635-N637 VanDerWaalsContact O-N 3.12Å; N637-L639 PolarHBondContact O-N 3.27Å; N637-D640 PolarHBondContact O-N 3.26Å
638L47Very low43.5Very low143 Ų143130.7 Ų130.775%0.74975%0.754SS**THydrogen-bonded Turntrans-66.9-5.1-167.8-122.985.2000115.2V636V636-L638 HydrophobicContact CB-CD1 4.38Å; V636-L638 HydrophobicContact CG1-CD1 3.98Å; V636-L638 PolarHBondContact O-N 3.25Å
639L47.3Very low45.3Very low154 Ų154128.4 Ų128.481%0.80673%0.729SS**THydrogen-bonded Turntrans-85.7-27.8-176-68.1166.5000113.2N637N637-L639 PolarHBondContact O-N 3.27Å
640D44.3Very low47.5Very low131 Ų131125.2 Ų125.270%0.70171%0.707SS**  trans-10533.7-175.1-70.4-43000113.1N637 P642N637-D640 PolarHBondContact O-N 3.26Å; D640-P642 WeakPolarHBondContact O-CD 3.41Å
641V38.9Very low49.1Very low98 Ų98122.3 Ų122.359%0.59469%0.694SS**  trans-84.7112.3162.6-177.90000107.5V643V641-V643 PolarHBondContact O-N 2.99Å
642P37.7Very low51.1Low111 Ų111119.1 Ų119.172%0.72167%0.674SS**  trans-62115.8176.9-18.531.9000108.7D640 P644D640-P642 WeakPolarHBondContact O-CD 3.41Å; P642-P644 WeakPolarHBondContact O-CD 3.14Å; P642-P644 VanDerWaalsContact O-N 3.14Å
643V45.4Very low53.1Low99 Ų99111.7 Ų111.760%0.664%0.642SS**  trans-61.5118.5171.4-179.10000106.6V641 V645V641-V643 PolarHBondContact O-N 2.99Å; V643-V645 PolarHBondContact O-N 3.18Å; V643-V645 VanDerWaalsContact O-N 3.08Å
644P39.4Very low54.8Low78 Ų78112.1 Ų112.151%0.50662%0.624SS.*  trans-60.6121.2-173.3-25.935.3000110.4P642 A646 R647P642-P644 WeakPolarHBondContact O-CD 3.14Å; P642-P644 VanDerWaalsContact O-N 3.14Å; P644-A646 PolarHBondContact O-N 2.99Å; P644-A646 VanDerWaalsContact O-N 3.08Å; P644-R647 WeakPolarHBondContact O-CB 3.11Å; P644-R647 PolarHBondContact O-N 3.44Å
645V47.8Very low56.6Low159 Ų159110.7 Ų110.796%0.96461%0.611SS**THydrogen-bonded Turntrans-63-16.7178.3-178.40000111.4V643V643-V645 PolarHBondContact O-N 3.18Å; V643-V645 VanDerWaalsContact O-N 3.08Å
646A48.5Very low58.4Low95 Ų95107.7 Ų107.779%0.78558%0.581SS**THydrogen-bonded Turntrans-106.344.7168.600000113.1P644 K648P644-A646 PolarHBondContact O-N 2.99Å; P644-A646 VanDerWaalsContact O-N 3.08Å; A646-K648 PolarHBondContact O-N 3.42Å
647R57.3Low60.3Low162 Ų162102.4 Ų102.461%0.61155%0.548SS*.  trans-70.6109170.2-144.5176-167.2172.93.5108.7P644 L649P644-R647 WeakPolarHBondContact O-CB 3.11Å; P644-R647 PolarHBondContact O-N 3.44Å; R647-L649 PolarHBondContact O-N 3.08Å; R647-L649 VanDerWaalsContact O-N 3.11Å
648K59.3Low62.1Low201 Ų201102.7 Ų102.787%0.87455%0.546SS*.PPolyproline II helixtrans-54.8120.9167.9-74.4-175178.4-179.60108A646 S650A646-K648 PolarHBondContact O-N 3.42Å; K648-S650 PolarHBondContact O-N 3Å
649L66.2Low63.9Low42 Ų4299 Ų9922%0.2253%0.53CS..PPolyproline II helixtrans-56.5137.3179.7-57.1-176.8000109.5T402 I403 L406 R647 Q654T402-L649 HydrophobicContact CG2-CD1 4.03Å; I403-L649 HydrophobicContact CD1-CD2 4.21Å; L406-L649 HydrophobicContact CD1-CD1 3.74Å; L406-L649 HydrophobicContact CD1-CD2 3.22Å; L406-L649 HydrophobicContact CD1-CG 4.06Å; R647-L649 PolarHBondContact O-N 3.08Å; R647-L649 VanDerWaalsContact O-N 3.11Å; L649-Q654 HydrophobicContact CB-CG 3.44Å; L649-Q654 VanDerWaalsContact CB-CG 3.44Å; L649-Q654 HydrophobicContact CD1-CG 4.1Å; L649-Q654 HydrophobicContact CG-CG 4.41Å
650S77.1Confident65.7Low50 Ų5091.8 Ų91.835%0.3549%0.492SS..PPolyproline II helixtrans-66.5148.9175.667.20000110.2K648 R652 E653 Q654K648-S650 PolarHBondContact O-N 3Å; S650-R652 CarbonylContact O-C 3.56Å; S650-R652 PolarHBondContact O-N 3.49Å; S650-E653 VanDerWaalsContact CB-OE2 3.26Å; S650-E653 WeakPolarHBondContact CB-OE2 3.42Å; S650-E653 PolarHBondContact N-OE2 3.25Å; S650-E653 PolarHBondContact O-N 2.69Å; S650-E653 WeakPolarHBondContact OG-CB 3.42Å; S650-E653 VanDerWaalsContact OG-CD 3.26Å; S650-E653 VanDerWaalsContact OG-CG 3.23Å; S650-E653 WeakPolarHBondContact OG-CG 3.43Å; S650-E653 PolarHBondContact OG-N 3.01Å; S650-E653 PolarHBondContact OG-OE2 2.9Å; S650-Q654 WeakPolarHBondContact O-CG 3.4Å; S650-Q654 PolarHBondContact O-N 3.26Å
651A75.5Confident67.9Low69 Ų6987.8 Ų87.857%0.5747%0.469SS*.THydrogen-bonded Turntrans-64.31176.800000113.9R655A651-R655 PolarHBondContact O-NE 3.21Å; A651-R655 PolarHBondContact O-NH2 3.3Å
652R77.8Confident70.1Confident124 Ų12489.8 Ų89.847%0.46847%0.466SS..THydrogen-bonded Turntrans-92.8-56.7166-178.5176.5-178.3176.32109.9L419 S650 Q654 R655 D656L419-R652 PolarHBondContact O-NH2 2.89Å; S650-R652 CarbonylContact O-C 3.56Å; S650-R652 PolarHBondContact O-N 3.49Å; R652-Q654 PolarHBondContact O-N 3.28Å; R652-R655 PolarHBondContact O-N 3.31Å; R652-D656 WeakPolarHBondContact CG-OD2 3.3Å; R652-D656 IonicContact NE-OD2 4Å; R652-D656 VanDerWaalsContact O-CG 3.23Å; R652-D656 PolarHBondContact O-N 2.92Å
653E80Confident72.6Confident51 Ų5186 Ų8624%0.23844%0.44CS..Hα-helixtrans-53.6-37176.7-75.8167.7134.100113.6L406 R410 S650 C657L406-E653 HydrophobicContact CD2-CB 3.68Å; L406-E653 HydrophobicContact CD2-CG 4.07Å; R410-E653 IonicContact CZ-OE1 2.68Å; R410-E653 IonicContact NE-OE1 3.58Å; R410-E653 IonicContact NH2-OE1 3.74Å; R410-E653 PolarHBondContact NH2-OE1 2.73Å; S650-E653 VanDerWaalsContact CB-OE2 3.26Å; S650-E653 WeakPolarHBondContact CB-OE2 3.42Å; S650-E653 PolarHBondContact N-OE2 3.25Å; S650-E653 PolarHBondContact O-N 2.69Å; S650-E653 WeakPolarHBondContact OG-CB 3.42Å; S650-E653 VanDerWaalsContact OG-CD 3.26Å; S650-E653 VanDerWaalsContact OG-CG 3.23Å; S650-E653 WeakPolarHBondContact OG-CG 3.43Å; S650-E653 PolarHBondContact OG-N 3.01Å; S650-E653 PolarHBondContact OG-OE2 2.9Å; E653-C657 PolarHBondContact O-N 3.21Å; E653-C657 VanDerWaalsContact O-N 3.08Å; E653-C657 PolarHBondContact O-SG 3.06Å
654Q81.2Confident74.7Confident86 Ų8681.3 Ų81.340%0.40241%0.411SS..Hα-helixtrans-61.6-52.4174-69.3178.3-43.700111.8L649 S650 R652 D656 C657 E658L649-Q654 HydrophobicContact CB-CG 3.44Å; L649-Q654 VanDerWaalsContact CB-CG 3.44Å; L649-Q654 HydrophobicContact CD1-CG 4.1Å; L649-Q654 HydrophobicContact CG-CG 4.41Å; S650-Q654 WeakPolarHBondContact O-CG 3.4Å; S650-Q654 PolarHBondContact O-N 3.26Å; R652-Q654 PolarHBondContact O-N 3.28Å; Q654-D656 VanDerWaalsContact C-N 3.32Å; Q654-D656 PolarHBondContact O-N 3.48Å; Q654-C657 PolarHBondContact O-N 2.86Å; Q654-C657 VanDerWaalsContact O-N 3.16Å; Q654-E658 WeakPolarHBondContact O-CG 3.47Å; Q654-E658 PolarHBondContact O-N 3.27Å
655R81.4Confident77.2Confident148 Ų14882.6 Ų82.656%0.55841%0.408SS*.Hα-helixtrans-63.3-38.7178.4-72.8-175.6-69.6140.23.2112.2A651 R652 C657 E658 V659A651-R655 PolarHBondContact O-NE 3.21Å; A651-R655 PolarHBondContact O-NH2 3.3Å; R652-R655 PolarHBondContact O-N 3.31Å; R655-C657 VanDerWaalsContact C-N 3.26Å; R655-C657 PolarHBondContact O-N 2.66Å; R655-E658 PolarHBondContact O-N 2.92Å; R655-V659 VanDerWaalsContact O-CG2 3.31Å; R655-V659 WeakPolarHBondContact O-CG2 3.28Å; R655-V659 PolarHBondContact O-N 3.35Å
656D81.8Confident79.3Confident41 Ų4176.2 Ų76.222%0.21937%0.371CS..Hα-helixtrans-62.6-35.4177.4-67-13.9000110.9I409 V421 R652 Q654 I660I409-D656 HydrophobicContact CD1-CB 4.45Å; V421-D656 HydrophobicContact CG2-CB 3.54Å; V421-D656 VanDerWaalsContact CG2-CG 3.45Å; R652-D656 WeakPolarHBondContact CG-OD2 3.3Å; R652-D656 IonicContact NE-OD2 4Å; R652-D656 VanDerWaalsContact O-CG 3.23Å; R652-D656 PolarHBondContact O-N 2.92Å; Q654-D656 VanDerWaalsContact C-N 3.32Å; Q654-D656 PolarHBondContact O-N 3.48Å; D656-I660 PolarHBondContact O-N 3.34Å
657C85.2Confident81.5Confident1 Ų172.1 Ų72.11%0.00734%0.335CS..Hα-helixtrans-75.7-44.1173-64.20000113.4T402 I405 L406 E653 Q654 R655 V659 I660 E661T402-C657 HydrophobicContact CG2-CB 3.74Å; I405-C657 HydrophobicContact CG2-CB 4.17Å; L406-C657 WeakPolarHBondContact CD2-SG 3.49Å; L406-C657 WeakPolarHBondContact CG-SG 3.37Å; E653-C657 PolarHBondContact O-N 3.21Å; E653-C657 VanDerWaalsContact O-N 3.08Å; E653-C657 PolarHBondContact O-SG 3.06Å; Q654-C657 PolarHBondContact O-N 2.86Å; Q654-C657 VanDerWaalsContact O-N 3.16Å; R655-C657 VanDerWaalsContact C-N 3.26Å; R655-C657 PolarHBondContact O-N 2.66Å; C657-V659 PolarHBondContact O-N 3.38Å; C657-I660 CarbonylContact O-C 3.59Å; C657-I660 PolarHBondContact O-N 3.44Å; C657-E661 WeakPolarHBondContact O-CB 3.19Å; C657-E661 WeakPolarHBondContact O-CG 3.31Å; C657-E661 PolarHBondContact O-N 2.81Å
658E84.7Confident83.3Confident114 Ų11464.4 Ų64.453%0.53331%0.306SS..Hα-helixtrans-55-38.2175.7-72.1163.9-166.200111.5Q654 R655 R662Q654-E658 WeakPolarHBondContact O-CG 3.47Å; Q654-E658 PolarHBondContact O-N 3.27Å; R655-E658 PolarHBondContact O-N 2.92Å; E658-R662 VanDerWaalsContact O-CB 3.32Å; E658-R662 WeakPolarHBondContact O-CB 3.1Å; E658-R662 PolarHBondContact O-N 3.38Å; E658-R662 VanDerWaalsContact O-N 3.13Å
659V84.9Confident84.9Confident65 Ų6557.9 Ų57.939%0.39428%0.28SS..Hα-helixtrans-64.9-50.3173.4169.90000111R655 C657 R662 L663R655-V659 VanDerWaalsContact O-CG2 3.31Å; R655-V659 WeakPolarHBondContact O-CG2 3.28Å; R655-V659 PolarHBondContact O-N 3.35Å; C657-V659 PolarHBondContact O-N 3.38Å; V659-R662 PolarHBondContact O-N 2.81Å; V659-L663 HydrophobicContact CG1-CD1 3.8Å; V659-L663 HydrophobicContact CG1-CG 4.38Å; V659-L663 VanDerWaalsContact O-CG 3.28Å; V659-L663 WeakPolarHBondContact O-CG 3.46Å; V659-L663 PolarHBondContact O-N 3.36Å
660I86.4Confident86.3Confident3 Ų356.7 Ų56.72%0.01527%0.274CS..Hα-helixtrans-61.4-47.5177.7-71.5-171.1000111.9I405 I409 V421 S425 L429 D656 C657 R662 L663 I664I405-I660 HydrophobicContact CG2-CB 4.02Å; I405-I660 HydrophobicContact CG2-CD1 4.27Å; I405-I660 HydrophobicContact CG2-CG2 3.74Å; I409-I660 HydrophobicContact CD1-CD1 3.74Å; I409-I660 HydrophobicContact CG1-CD1 3.49Å; I409-I660 VanDerWaalsContact CG1-CD1 3.49Å; V421-I660 HydrophobicContact CG1-CD1 3.58Å; V421-I660 HydrophobicContact CG1-CG1 3.91Å; S425-I660 WeakPolarHBondContact OG-CD1 3.28Å; L429-I660 HydrophobicContact CD1-CG2 3.97Å; D656-I660 PolarHBondContact O-N 3.34Å; C657-I660 CarbonylContact O-C 3.59Å; C657-I660 PolarHBondContact O-N 3.44Å; I660-R662 PolarHBondContact O-N 3.24Å; I660-L663 PolarHBondContact O-N 2.89Å; I660-I664 HydrophobicContact CG2-CD1 3.39Å; I660-I664 HydrophobicContact CG2-CG1 3.92Å; I660-I664 WeakPolarHBondContact O-CB 3.12Å; I660-I664 VanDerWaalsContact O-CG1 3.26Å; I660-I664 WeakPolarHBondContact O-CG1 3.47Å; I660-I664 PolarHBondContact O-N 3.29Å
661E88.8Confident87.2Confident46 Ų4654.3 Ų54.322%0.21526%0.258CS..Hα-helixtrans-54.4-43.5178.2-73.6173.7-169.900110.8L397 T402 I405 C657 K665L397-E661 HydrophobicContact CD1-CB 4.32Å; L397-E661 HydrophobicContact CD2-CB 4.34Å; T402-E661 PolarHBondContact OG1-OE1 3.28Å; I405-E661 HydrophobicContact CD1-CG 3.27Å; C657-E661 WeakPolarHBondContact O-CB 3.19Å; C657-E661 WeakPolarHBondContact O-CG 3.31Å; C657-E661 PolarHBondContact O-N 2.81Å; E661-K665 VanDerWaalsContact O-CB 3.3Å; E661-K665 WeakPolarHBondContact O-CB 3.12Å; E661-K665 PolarHBondContact O-N 3.15Å
662R86.6Confident88.1Confident141 Ų14152.6 Ų52.653%0.53224%0.236SC..Hα-helixtrans-72.6-36.3179.6-157.9174.9173.2168.8-1.4113M521 E658 V659 I660 S666M521-R662 HydrophobicContact CE-CB 4.04Å; M521-R662 HydrophobicContact CE-CG 3.7Å; E658-R662 VanDerWaalsContact O-CB 3.32Å; E658-R662 WeakPolarHBondContact O-CB 3.1Å; E658-R662 PolarHBondContact O-N 3.38Å; E658-R662 VanDerWaalsContact O-N 3.13Å; V659-R662 PolarHBondContact O-N 2.81Å; I660-R662 PolarHBondContact O-N 3.24Å; R662-S666 WeakPolarHBondContact O-CB 3.42Å; R662-S666 PolarHBondContact O-N 2.78Å
663L89.3Confident89Confident32 Ų3252.1 Ų52.117%0.16824%0.238CC..Hα-helixtrans-66.8-47173.1-69.1170000111.5F426 F514 M521 V659 I660 K665 S666 Y667F426-L663 HydrophobicContact CD2-CB 3.73Å; F426-L663 HydrophobicContact CE2-CB 3.78Å; F514-L663 HydrophobicContact CE1-CD2 4.49Å; F514-L663 HydrophobicContact CE2-CD2 4.19Å; F514-L663 HydrophobicContact CZ-CB 4.43Å; F514-L663 HydrophobicContact CZ-CD2 3.72Å; M521-L663 HydrophobicContact CE-CD2 4.01Å; M521-L663 HydrophobicContact CE-CG 4.44Å; M521-L663 HydrophobicContact SD-CD2 4.21Å; V659-L663 HydrophobicContact CG1-CD1 3.8Å; V659-L663 HydrophobicContact CG1-CG 4.38Å; V659-L663 VanDerWaalsContact O-CG 3.28Å; V659-L663 WeakPolarHBondContact O-CG 3.46Å; V659-L663 PolarHBondContact O-N 3.36Å; I660-L663 PolarHBondContact O-N 2.89Å; L663-K665 VanDerWaalsContact C-N 3.33Å; L663-K665 PolarHBondContact O-N 3.09Å; L663-S666 PolarHBondContact O-N 3.36Å; L663-Y667 PolarHBondContact O-N 3.07Å
664I90.9Very high89.7Confident0 Ų052.3 Ų52.30%024%0.24CC..Hα-helixtrans-54.7-52.3175-68.9168000109.4L397 L400 F426 L429 V430 Q433 I660 S666 Y667 F668L397-I664 HydrophobicContact CD2-CB 4.23Å; L397-I664 HydrophobicContact CD2-CG2 3.98Å; L400-I664 HydrophobicContact CD1-CD1 3.8Å; L400-I664 HydrophobicContact CD1-CG2 4.18Å; F426-I664 HydrophobicContact CD2-CG1 4.03Å; L429-I664 HydrophobicContact CB-CD1 3.54Å; L429-I664 HydrophobicContact CB-CG1 4.29Å; L429-I664 HydrophobicContact CD1-CD1 3.84Å; L429-I664 HydrophobicContact CG-CD1 4.34Å; V430-I664 HydrophobicContact CG2-CB 4.18Å; V430-I664 HydrophobicContact CG2-CG1 3.86Å; V430-I664 HydrophobicContact CG2-CG2 4.24Å; Q433-I664 HydrophobicContact CG-CG2 4.36Å; I660-I664 HydrophobicContact CG2-CD1 3.39Å; I660-I664 HydrophobicContact CG2-CG1 3.92Å; I660-I664 WeakPolarHBondContact O-CB 3.12Å; I660-I664 VanDerWaalsContact O-CG1 3.26Å; I660-I664 WeakPolarHBondContact O-CG1 3.47Å; I660-I664 PolarHBondContact O-N 3.29Å; I664-S666 VanDerWaalsContact C-N 3.33Å; I664-S666 PolarHBondContact O-N 3.31Å; I664-Y667 PolarHBondContact O-N 3.49Å; I664-F668 WeakPolarHBondContact O-CB 3.35Å; I664-F668 PolarHBondContact O-N 2.84Å
665K91.5Very high90.4Very high104 Ų10448.4 Ų48.445%0.45222%0.222SC..Hα-helixtrans-58.2-44.3179.5-178.3170.9-178.5175.20112P396 E661 L663 L669P396-K665 HydrophobicContact CB-CB 4.39Å; P396-K665 HydrophobicContact CB-CG 4.07Å; P396-K665 HydrophobicContact CG-CD 4.27Å; P396-K665 HydrophobicContact CG-CG 3.94Å; E661-K665 VanDerWaalsContact O-CB 3.3Å; E661-K665 WeakPolarHBondContact O-CB 3.12Å; E661-K665 PolarHBondContact O-N 3.15Å; L663-K665 VanDerWaalsContact C-N 3.33Å; L663-K665 PolarHBondContact O-N 3.09Å; K665-L669 HydrophobicContact CG-CD1 3.93Å; K665-L669 WeakPolarHBondContact O-CB 3.32Å; K665-L669 WeakPolarHBondContact O-CD1 3.46Å; K665-L669 WeakPolarHBondContact O-CG 3.44Å; K665-L669 PolarHBondContact O-N 3.06Å
666S91.2Very high91Very high26 Ų2643.4 Ų43.418%0.18221%0.205CC..Hα-helixtrans-65.6-46-179.8-157.50000112.5A517 R662 L663 I664 I670A517-S666 WeakPolarHBondContact CB-OG 3.5Å; R662-S666 WeakPolarHBondContact O-CB 3.42Å; R662-S666 PolarHBondContact O-N 2.78Å; L663-S666 PolarHBondContact O-N 3.36Å; I664-S666 VanDerWaalsContact C-N 3.33Å; I664-S666 PolarHBondContact O-N 3.31Å; S666-I670 WeakPolarHBondContact O-CG1 3.41Å
667Y93.9Very high91.7Very high9 Ų945.1 Ų45.14%0.03521%0.214CC..Hα-helixtrans-71.1-43.6-178.5-164.4-90.6000112.1F426 V430 I434 I507 N508 F514 L663 I664 L669 I670 V671F426-Y667 HydrophobicContact CZ-CD2 4.47Å; F426-Y667 HydrophobicContact CZ-CG 4.18Å; V430-Y667 HydrophobicContact CG1-CD1 3.63Å; V430-Y667 HydrophobicContact CG1-CE1 4.21Å; I434-Y667 HydrophobicContact CD1-CE1 4.29Å; I507-Y667 WeakPolarHBondContact CA-OH 3.11Å; I507-Y667 HydrophobicContact CB-CE1 4.43Å; I507-Y667 HydrophobicContact CG1-CE1 4.16Å; I507-Y667 HydrophobicContact CG2-CD1 4.35Å; I507-Y667 HydrophobicContact CG2-CD2 4.25Å; I507-Y667 HydrophobicContact CG2-CE1 3.97Å; I507-Y667 HydrophobicContact CG2-CE2 3.89Å; I507-Y667 HydrophobicContact CG2-CG 4.48Å; N508-Y667 PolarHBondContact N-OH 3.48Å; F514-Y667 AromaticContact CD2-CD2 3.94Å; F514-Y667 HydrophobicContact CD2-CD2 3.94Å; F514-Y667 HydrophobicContact CD2-CG 4.49Å; F514-Y667 HydrophobicContact CE2-CD2 4.1Å; F514-Y667 HydrophobicContact CE2-CG 4.4Å; F514-Y667 HydrophobicContact CG-CD2 4.19Å; F514-Y667 HydrophobicContact CZ-CD2 4.47Å; L663-Y667 PolarHBondContact O-N 3.07Å; I664-Y667 PolarHBondContact O-N 3.49Å; Y667-L669 VanDerWaalsContact C-N 3.32Å; Y667-L669 PolarHBondContact O-N 3.42Å; Y667-I670 WeakPolarHBondContact O-CB 3.43Å; Y667-I670 PolarHBondContact O-N 3.48Å; Y667-V671 HydrophobicContact CD1-CG2 3.76Å; Y667-V671 HydrophobicContact CE1-CG2 3.36Å; Y667-V671 PolarHBondContact O-N 3.01Å; Y667-V671 VanDerWaalsContact O-N 3.09Å
668F94.8Very high92.2Very high0 Ų047.1 Ų47.10%023%0.228CC..Hα-helixtrans-60.7-39178.7175.8-90.8000112.4V394 P396 Q433 I434 L437 I664 I670 V671 R672V394-F668 HydrophobicContact CB-CZ 4.49Å; V394-F668 HydrophobicContact CG1-CZ 3.89Å; P396-F668 HydrophobicContact CB-CD1 3.52Å; P396-F668 HydrophobicContact CB-CE1 3.98Å; P396-F668 HydrophobicContact CB-CG 4.28Å; Q433-F668 HydrophobicContact CB-CD2 3.56Å; Q433-F668 HydrophobicContact CB-CE2 3.79Å; Q433-F668 HydrophobicContact CB-CG 4.42Å; Q433-F668 WeakPolarHBondContact O-CE2 3.17Å; I434-F668 HydrophobicContact CG1-CD2 4.38Å; L437-F668 HydrophobicContact CD1-CD2 4.43Å; L437-F668 HydrophobicContact CD1-CE2 3.77Å; L437-F668 HydrophobicContact CD1-CZ 4.18Å; L437-F668 HydrophobicContact CD2-CE2 4.08Å; L437-F668 HydrophobicContact CD2-CZ 3.77Å; L437-F668 HydrophobicContact CG-CE2 3.93Å; L437-F668 HydrophobicContact CG-CZ 4.15Å; I664-F668 WeakPolarHBondContact O-CB 3.35Å; I664-F668 PolarHBondContact O-N 2.84Å; F668-I670 VanDerWaalsContact C-N 3.3Å; F668-I670 PolarHBondContact O-N 3.36Å; F668-V671 PolarHBondContact O-N 3.23Å; F668-R672 HydrophobicContact CE1-CB 4.38Å; F668-R672 WeakPolarHBondContact O-CB 3.16Å; F668-R672 PolarHBondContact O-N 3.11Å
669L94.4Very high92.8Very high63 Ų6341.8 Ų41.833%0.3320%0.203SC..Hα-helixtrans-64.9-33.6178.1-73171.4000112.6K665 Y667 K673K665-L669 HydrophobicContact CG-CD1 3.93Å; K665-L669 WeakPolarHBondContact O-CB 3.32Å; K665-L669 WeakPolarHBondContact O-CD1 3.46Å; K665-L669 WeakPolarHBondContact O-CG 3.44Å; K665-L669 PolarHBondContact O-N 3.06Å; Y667-L669 VanDerWaalsContact C-N 3.32Å; Y667-L669 PolarHBondContact O-N 3.42Å; L669-K673 WeakPolarHBondContact O-CB 3.28Å; L669-K673 PolarHBondContact O-N 3.28Å; L669-K673 VanDerWaalsContact O-N 3.14Å
670I94.8Very high93.5Very high17 Ų1739.6 Ų39.69%0.08719%0.191CC..Hα-helixtrans-67-52.4173.6-63.7162.7000109.9D513 F514 S666 Y667 F668 R672 K673 N674D513-I670 HydrophobicContact CB-CD1 3.83Å; D513-I670 HydrophobicContact CB-CG1 4.14Å; F514-I670 HydrophobicContact CB-CD1 3.81Å; F514-I670 HydrophobicContact CD2-CD1 4.44Å; S666-I670 WeakPolarHBondContact O-CG1 3.41Å; Y667-I670 WeakPolarHBondContact O-CB 3.43Å; Y667-I670 PolarHBondContact O-N 3.48Å; F668-I670 VanDerWaalsContact C-N 3.3Å; F668-I670 PolarHBondContact O-N 3.36Å; I670-R672 VanDerWaalsContact C-N 3.3Å; I670-R672 PolarHBondContact O-N 3.17Å; I670-K673 WeakPolarHBondContact O-CB 3.31Å; I670-K673 PolarHBondContact O-N 2.87Å; I670-K673 VanDerWaalsContact O-N 3.11Å; I670-N674 PolarHBondContact O-N 2.89Å; I670-N674 PolarHBondContact O-OD1 3.4Å
671V95.6Very high94Very high1 Ų145.4 Ų45.41%0.00622%0.216CC..Hα-helixtrans-59.9-40.4178.8173.90000111.8I434 L437 E503 Y667 F668 K673 N674 I675I434-V671 HydrophobicContact CD1-CB 4.31Å; I434-V671 HydrophobicContact CD1-CG1 3.98Å; I434-V671 HydrophobicContact CD1-CG2 3.97Å; I434-V671 HydrophobicContact CG1-CB 4.37Å; I434-V671 HydrophobicContact CG1-CG1 3.9Å; I434-V671 HydrophobicContact CG2-CG1 4.05Å; L437-V671 HydrophobicContact CD1-CG1 4.35Å; E503-V671 HydrophobicContact CB-CG1 3.83Å; E503-V671 HydrophobicContact CG-CG1 3.81Å; Y667-V671 HydrophobicContact CD1-CG2 3.76Å; Y667-V671 HydrophobicContact CE1-CG2 3.36Å; Y667-V671 PolarHBondContact O-N 3.01Å; Y667-V671 VanDerWaalsContact O-N 3.09Å; F668-V671 PolarHBondContact O-N 3.23Å; V671-K673 VanDerWaalsContact C-N 3.33Å; V671-K673 PolarHBondContact O-N 3.23Å; V671-N674 WeakPolarHBondContact O-CB 3.45Å; V671-N674 PolarHBondContact O-N 3.34Å; V671-I675 HydrophobicContact CG1-CD1 3.78Å; V671-I675 HydrophobicContact CG1-CG1 4.45Å; V671-I675 WeakPolarHBondContact O-CG1 3.29Å; V671-I675 PolarHBondContact O-N 2.98Å
672R95.8Very high94.4Very high32 Ų3243.5 Ų43.512%0.12121%0.208CC..Hα-helixtrans-60.2-43.1176-172.6177.182.4165.48.5111.8L391 E392 V394 L437 F668 I670 I675 Q676L391-R672 HydrophobicContact CB-CG 4.25Å; L391-R672 VanDerWaalsContact O-CD 3.31Å; L391-R672 WeakPolarHBondContact O-CD 3.49Å; L391-R672 PolarHBondContact O-NH1 2.86Å; E392-R672 PolarHBondContact O-NH1 3.44Å; V394-R672 PolarHBondContact O-NH1 2.98Å; L437-R672 HydrophobicContact CD1-CB 4.3Å; L437-R672 HydrophobicContact CD2-CG 4.16Å; F668-R672 HydrophobicContact CE1-CB 4.38Å; F668-R672 WeakPolarHBondContact O-CB 3.16Å; F668-R672 PolarHBondContact O-N 3.11Å; I670-R672 VanDerWaalsContact C-N 3.3Å; I670-R672 PolarHBondContact O-N 3.17Å; R672-I675 PolarHBondContact O-N 2.88Å; R672-Q676 WeakPolarHBondContact O-CB 3.47Å; R672-Q676 VanDerWaalsContact O-CG 3.29Å; R672-Q676 WeakPolarHBondContact O-CG 3.24Å; R672-Q676 PolarHBondContact O-N 2.82Å
673K95.1Very high94.9Very high115 Ų11536.8 Ų36.850%0.518%0.183SC..Hα-helixtrans-63.2-45.1174.7-174.5-175.8174.1-169.20111.3L669 I670 V671 I675 Q676 D677L669-K673 WeakPolarHBondContact O-CB 3.28Å; L669-K673 PolarHBondContact O-N 3.28Å; L669-K673 VanDerWaalsContact O-N 3.14Å; I670-K673 WeakPolarHBondContact O-CB 3.31Å; I670-K673 PolarHBondContact O-N 2.87Å; I670-K673 VanDerWaalsContact O-N 3.11Å; V671-K673 VanDerWaalsContact C-N 3.33Å; V671-K673 PolarHBondContact O-N 3.23Å; K673-I675 VanDerWaalsContact C-N 3.3Å; K673-I675 PolarHBondContact O-N 3.18Å; K673-Q676 WeakPolarHBondContact O-CB 3.48Å; K673-Q676 PolarHBondContact O-N 2.96Å; K673-D677 PolarHBondContact O-N 3.09Å
674N95.3Very high95.3Very high55 Ų5538.7 Ų38.729%0.29419%0.192SC..Hα-helixtrans-57.1-43.1175.1-65.8-8.3000111.9E503 I670 V671 D677 S678E503-N674 PolarHBondContact OE1-ND2 3.23Å; E503-N674 VanDerWaalsContact OE1-ND2 3.15Å; I670-N674 PolarHBondContact O-N 2.89Å; I670-N674 PolarHBondContact O-OD1 3.4Å; V671-N674 WeakPolarHBondContact O-CB 3.45Å; V671-N674 PolarHBondContact O-N 3.34Å; N674-D677 PolarHBondContact O-N 3.37Å; N674-S678 WeakPolarHBondContact O-CB 3.16Å; N674-S678 PolarHBondContact O-N 3.14Å; N674-S678 PolarHBondContact O-OG 3.43Å
675I96.2Very high95.6Very high3 Ų344.5 Ų44.52%0.01522%0.219CC..Hα-helixtrans-70.6-41.9179.4-71.8170000111.6F387 L391 L437 V500 E503 V671 R672 K673 D677 S678 V679F387-I675 HydrophobicContact CZ-CG2 4.32Å; L391-I675 HydrophobicContact CD1-CG2 3.93Å; L437-I675 HydrophobicContact CB-CD1 4.02Å; L437-I675 HydrophobicContact CD1-CD1 3.66Å; L437-I675 HydrophobicContact CG-CD1 4.49Å; V500-I675 HydrophobicContact CG2-CD1 4.18Å; E503-I675 HydrophobicContact CG-CD1 4.49Å; V671-I675 HydrophobicContact CG1-CD1 3.78Å; V671-I675 HydrophobicContact CG1-CG1 4.45Å; V671-I675 WeakPolarHBondContact O-CG1 3.29Å; V671-I675 PolarHBondContact O-N 2.98Å; R672-I675 PolarHBondContact O-N 2.88Å; K673-I675 VanDerWaalsContact C-N 3.3Å; K673-I675 PolarHBondContact O-N 3.18Å; I675-D677 PolarHBondContact O-N 3.37Å; I675-S678 PolarHBondContact O-N 3.37Å; I675-V679 HydrophobicContact CG2-CG2 3.85Å; I675-V679 PolarHBondContact O-N 3.42Å
676Q95.1Very high95.9Very high43 Ų4342.2 Ų42.220%0.20121%0.209CC..Hα-helixtrans-52.7-39.5171.9-78.5172.6-40.100111.5G388 L391 R672 K673 P680G388-Q676 PolarHBondContact O-NE2 3.36Å; L391-Q676 HydrophobicContact CB-CG 3.91Å; L391-Q676 HydrophobicContact CD1-CB 4.41Å; L391-Q676 HydrophobicContact CD1-CG 3.49Å; L391-Q676 VanDerWaalsContact CD1-CG 3.49Å; L391-Q676 HydrophobicContact CG-CG 4.27Å; R672-Q676 WeakPolarHBondContact O-CB 3.47Å; R672-Q676 VanDerWaalsContact O-CG 3.29Å; R672-Q676 WeakPolarHBondContact O-CG 3.24Å; R672-Q676 PolarHBondContact O-N 2.82Å; K673-Q676 WeakPolarHBondContact O-CB 3.48Å; K673-Q676 PolarHBondContact O-N 2.96Å; Q676-P680 WeakPolarHBondContact O-CD 3.21Å; Q676-P680 VanDerWaalsContact O-CG 3.28Å; Q676-P680 WeakPolarHBondContact O-CG 3.19Å
677D95.3Very high96.1Very high78 Ų7841 Ų4142%0.41720%0.2SC..Hα-helixtrans-79.4-36.9177.1-100.6-60.6000114.5K673 N674 I675 K681K673-D677 PolarHBondContact O-N 3.09Å; N674-D677 PolarHBondContact O-N 3.37Å; I675-D677 PolarHBondContact O-N 3.37Å; D677-K681 WeakPolarHBondContact O-CD 3.23Å; D677-K681 WeakPolarHBondContact O-CE 3.34Å; D677-K681 VanDerWaalsContact O-CG 3.31Å; D677-K681 WeakPolarHBondContact O-CG 3.38Å; D677-K681 PolarHBondContact O-NZ 3.18Å; D677-K681 IonicContact OD1-NZ 3.62Å; D677-K681 PolarHBondContact OD1-NZ 3.11Å
678S96.8Very high96.2Very high43 Ų4340.6 Ų40.630%0.30120%0.199SC..Hα-helixtrans-86.8-35.6-167-59.70000113.3N674 I675 K681 A682N674-S678 WeakPolarHBondContact O-CB 3.16Å; N674-S678 PolarHBondContact O-N 3.14Å; N674-S678 PolarHBondContact O-OG 3.43Å; I675-S678 PolarHBondContact O-N 3.37Å; S678-K681 PolarHBondContact O-N 2.95Å; S678-A682 PolarHBondContact O-N 3.46Å
679V97.3Very high96.3Very high1 Ų144 Ų441%0.00622%0.217CC..Hα-helixtrans-65.5-46.8-179171.70000112F387 V496 L499 I675 K681 A682 V683F387-V679 HydrophobicContact CE1-CB 3.87Å; F387-V679 HydrophobicContact CE1-CG1 4.11Å; F387-V679 HydrophobicContact CZ-CB 3.76Å; F387-V679 HydrophobicContact CZ-CG1 3.87Å; F387-V679 HydrophobicContact CZ-CG2 4.11Å; V496-V679 HydrophobicContact CG1-CG1 4.47Å; V496-V679 HydrophobicContact CG1-CG2 4.27Å; V496-V679 HydrophobicContact CG2-CG1 4.14Å; L499-V679 HydrophobicContact CD1-CG2 4.49Å; I675-V679 HydrophobicContact CG2-CG2 3.85Å; I675-V679 PolarHBondContact O-N 3.42Å; V679-K681 VanDerWaalsContact C-N 3.29Å; V679-K681 PolarHBondContact O-N 3.29Å; V679-A682 PolarHBondContact O-N 2.74Å; V679-A682 VanDerWaalsContact O-N 3.17Å; V679-V683 HydrophobicContact CG1-CG2 4.45Å; V679-V683 WeakPolarHBondContact O-CG2 3.5Å; V679-V683 PolarHBondContact O-N 2.94Å
680P97.9Very high96.4Very high20 Ų2044 Ų4413%0.1322%0.215CC..Hα-helixtrans-57.2-40.2173.8-28.638.3000113.2F383 F387 Q676 V683 M684F383-P680 HydrophobicContact CB-CB 4.08Å; F383-P680 HydrophobicContact CB-CG 4.03Å; F383-P680 HydrophobicContact CD1-CB 3.62Å; F383-P680 HydrophobicContact CD1-CG 3.79Å; F383-P680 HydrophobicContact CD2-CB 4.05Å; F383-P680 HydrophobicContact CE1-CB 3.97Å; F383-P680 HydrophobicContact CE1-CG 4.46Å; F383-P680 HydrophobicContact CE2-CB 4.35Å; F383-P680 HydrophobicContact CG-CB 3.67Å; F383-P680 HydrophobicContact CG-CG 4.01Å; F383-P680 HydrophobicContact CZ-CB 4.33Å; F387-P680 HydrophobicContact CD1-CG 4.26Å; F387-P680 HydrophobicContact CE1-CG 4.28Å; Q676-P680 WeakPolarHBondContact O-CD 3.21Å; Q676-P680 VanDerWaalsContact O-CG 3.28Å; Q676-P680 WeakPolarHBondContact O-CG 3.19Å; P680-V683 PolarHBondContact O-N 2.83Å; P680-M684 WeakPolarHBondContact O-CB 3.41Å; P680-M684 WeakPolarHBondContact O-CG 3.49Å; P680-M684 PolarHBondContact O-N 3.47Å
681K97.7Very high96.4Very high124 Ų12443.1 Ų43.154%0.53921%0.211SC..Hα-helixtrans-65.5-40.9177.9-66.8167-163.6151.10111.4D677 S678 V679 H685D677-K681 WeakPolarHBondContact O-CD 3.23Å; D677-K681 WeakPolarHBondContact O-CE 3.34Å; D677-K681 VanDerWaalsContact O-CG 3.31Å; D677-K681 WeakPolarHBondContact O-CG 3.38Å; D677-K681 PolarHBondContact O-NZ 3.18Å; D677-K681 IonicContact OD1-NZ 3.62Å; D677-K681 PolarHBondContact OD1-NZ 3.11Å; S678-K681 PolarHBondContact O-N 2.95Å; V679-K681 VanDerWaalsContact C-N 3.29Å; V679-K681 PolarHBondContact O-N 3.29Å; K681-H685 WeakPolarHBondContact O-CB 3.5Å; K681-H685 PolarHBondContact O-N 3.24Å
682A97.4Very high96.4Very high7 Ų745.9 Ų45.96%0.05822%0.223CC..Hα-helixtrans-64.6-45.3174.900000112.2M495 L499 S678 V679 H685 F686M495-A682 HydrophobicContact CG-CB 4.18Å; L499-A682 HydrophobicContact CD1-CB 3.92Å; S678-A682 PolarHBondContact O-N 3.46Å; V679-A682 PolarHBondContact O-N 2.74Å; V679-A682 VanDerWaalsContact O-N 3.17Å; A682-H685 PolarHBondContact O-N 3.35Å; A682-F686 WeakPolarHBondContact O-CD2 3.47Å; A682-F686 PolarHBondContact O-N 3.3Å
683V97.8Very high96.3Very high0 Ų050.1 Ų50.10%025%0.248CC..Hα-helixtrans-64-44.6177.2177.70000111.4F383 V445 V448 T492 V679 P680 H685 L687 V688F383-V683 HydrophobicContact CE1-CB 3.96Å; F383-V683 HydrophobicContact CE1-CG1 4.05Å; F383-V683 HydrophobicContact CE1-CG2 4.41Å; F383-V683 HydrophobicContact CZ-CB 3.91Å; F383-V683 HydrophobicContact CZ-CG1 3.83Å; V445-V683 HydrophobicContact CB-CG2 4.38Å; V445-V683 HydrophobicContact CG1-CG2 4.33Å; V445-V683 HydrophobicContact CG2-CG2 3.83Å; V448-V683 HydrophobicContact CB-CG1 3.97Å; V448-V683 HydrophobicContact CG1-CG1 3.71Å; V448-V683 HydrophobicContact CG2-CG1 4.21Å; T492-V683 HydrophobicContact CG2-CB 4.41Å; T492-V683 HydrophobicContact CG2-CG2 3.97Å; V679-V683 HydrophobicContact CG1-CG2 4.45Å; V679-V683 WeakPolarHBondContact O-CG2 3.5Å; V679-V683 PolarHBondContact O-N 2.94Å; P680-V683 PolarHBondContact O-N 2.83Å; V683-H685 VanDerWaalsContact C-N 3.31Å; V683-H685 PolarHBondContact O-N 3.48Å; V683-L687 HydrophobicContact CG1-CB 4.44Å; V683-L687 HydrophobicContact CG1-CD2 4.3Å; V683-L687 WeakPolarHBondContact O-CB 3.33Å; V683-L687 PolarHBondContact O-N 2.93Å; V683-V688 PolarHBondContact O-N 3.04Å; V683-V688 VanDerWaalsContact O-N 3.15Å
684M96.9Very high96.2Very high72 Ų7246.3 Ų46.336%0.35523%0.234SC..Iπ-helixtrans-58.2-43.1174.7-76.7-62-145.800111.9I379 F383 P680 V688 N689I379-M684 HydrophobicContact CG2-CE 4.37Å; F383-M684 HydrophobicContact CE2-CE 3.93Å; F383-M684 HydrophobicContact CE2-CG 3.89Å; F383-M684 HydrophobicContact CE2-SD 3.98Å; F383-M684 HydrophobicContact CZ-CG 4.25Å; P680-M684 WeakPolarHBondContact O-CB 3.41Å; P680-M684 WeakPolarHBondContact O-CG 3.49Å; P680-M684 PolarHBondContact O-N 3.47Å; M684-V688 HydrophobicContact SD-CB 3.95Å; M684-V688 HydrophobicContact SD-CG1 4.1Å; M684-V688 HydrophobicContact SD-CG2 3.97Å; M684-N689 VanDerWaalsContact O-CB 3.26Å; M684-N689 WeakPolarHBondContact O-CB 3.41Å; M684-N689 PolarHBondContact O-N 2.95Å; M684-N689 PolarHBondContact O-ND2 3.08Å
685H97.4Very high96.1Very high121 Ų12143.7 Ų43.756%0.5622%0.22SC*.Iπ-helixtrans-73.9-52-177.8-171.971.9000113.5K681 A682 V683K681-H685 WeakPolarHBondContact O-CB 3.5Å; K681-H685 PolarHBondContact O-N 3.24Å; A682-H685 PolarHBondContact O-N 3.35Å; V683-H685 VanDerWaalsContact C-N 3.31Å; V683-H685 PolarHBondContact O-N 3.48Å
686F97.1Very high95.9Very high56 Ų5646.6 Ų46.625%0.24623%0.234CC..Iπ-helixtrans-85.3-23.8-170.3-73.8-80.5000114.6R488 V491 T492 M495 A682R488-F686 PolarHBondContact NE-O 3.07Å; R488-F686 PolarHBondContact NH2-O 3.48Å; V491-F686 HydrophobicContact CG1-CD1 4.06Å; T492-F686 HydrophobicContact CG2-CB 4.35Å; M495-F686 HydrophobicContact CB-CD2 4.24Å; M495-F686 HydrophobicContact CB-CE2 4.24Å; M495-F686 HydrophobicContact CE-CE2 4.44Å; M495-F686 HydrophobicContact CG-CD2 3.92Å; M495-F686 HydrophobicContact CG-CE2 3.6Å; M495-F686 HydrophobicContact CG-CZ 4.3Å; M495-F686 HydrophobicContact SD-CE2 4.09Å; M495-F686 HydrophobicContact SD-CZ 4.36Å; A682-F686 WeakPolarHBondContact O-CD2 3.47Å; A682-F686 PolarHBondContact O-N 3.3Å
687L96.4Very high95.8Very high0 Ų048.2 Ų48.20%025%0.249CC..Iπ-helixtrans-109.5-69.3178.1-177.262.9000111.4V448 H449 L485 R488 T492 V683 V691V448-L687 HydrophobicContact CG1-CD2 4.3Å; H449-L687 HydrophobicContact CB-CD2 4.43Å; L485-L687 HydrophobicContact CD2-CD1 4.01Å; R488-L687 HydrophobicContact CB-CD1 3.67Å; T492-L687 HydrophobicContact CG2-CB 4.42Å; V683-L687 HydrophobicContact CG1-CB 4.44Å; V683-L687 HydrophobicContact CG1-CD2 4.3Å; V683-L687 WeakPolarHBondContact O-CB 3.33Å; V683-L687 PolarHBondContact O-N 2.93Å; L687-V691 HydrophobicContact CD1-CG2 4.24Å; L687-V691 VanDerWaalsContact O-CB 3.32Å; L687-V691 WeakPolarHBondContact O-CB 3.37Å; L687-V691 WeakPolarHBondContact O-CG2 3.49Å; L687-V691 PolarHBondContact O-N 3.47Å
688V96.1Very high95.8Very high2 Ų246.6 Ų46.61%0.01224%0.24CC..Iπ-helixtrans-65.3-57.9-165.2-175.70000112.4I361 V448 M452 V683 M684 V691 K692I361-V688 HydrophobicContact CG2-CG1 3.64Å; V448-V688 HydrophobicContact CG1-CG2 4.04Å; M452-V688 HydrophobicContact CE-CG1 4.31Å; M452-V688 HydrophobicContact SD-CG1 4.19Å; M452-V688 HydrophobicContact SD-CG2 4.25Å; V683-V688 PolarHBondContact O-N 3.04Å; V683-V688 VanDerWaalsContact O-N 3.15Å; M684-V688 HydrophobicContact SD-CB 3.95Å; M684-V688 HydrophobicContact SD-CG1 4.1Å; M684-V688 HydrophobicContact SD-CG2 3.97Å; V688-V691 PolarHBondContact O-N 2.89Å; V688-K692 WeakPolarHBondContact O-CB 3.25Å; V688-K692 PolarHBondContact O-N 2.9Å
689N95.7Very high95.6Very high71 Ų7144.6 Ų44.638%0.3823%0.225SC..Iπ-helixtrans-66.7-40.9-178.5-65.7-13.1000111.4M684 V691 K692 D693M684-N689 VanDerWaalsContact O-CB 3.26Å; M684-N689 WeakPolarHBondContact O-CB 3.41Å; M684-N689 PolarHBondContact O-N 2.95Å; M684-N689 PolarHBondContact O-ND2 3.08Å; N689-V691 VanDerWaalsContact C-N 3.33Å; N689-V691 PolarHBondContact O-N 3.32Å; N689-K692 WeakPolarHBondContact O-CB 3.43Å; N689-K692 PolarHBondContact O-N 3.4Å; N689-D693 VanDerWaalsContact O-CG 3.28Å; N689-D693 PolarHBondContact O-N 3.16Å
690H96.4Very high95.5Very high62 Ų6246.4 Ų46.429%0.28724%0.236SC..Hα-helixtrans-59.8-43176.5-179.482.1000112.4R488 T694R488-H690 WeakPolarHBondContact CD-CD2 3.26Å; R488-H690 WeakPolarHBondContact CD-NE2 3.29Å; R488-H690 PolarHBondContact NE-CD2 2.85Å; H690-T694 WeakPolarHBondContact O-CB 3.45Å; H690-T694 PolarHBondContact O-N 3.41Å; H690-T694 PolarHBondContact O-OG1 2.87Å
691V95.5Very high95.2Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-64.7-48.3175.4170.90000109.9Y357 M452 L484 L485 R488 L687 V688 N689 D693 T694 L695Y357-V691 HydrophobicContact CE1-CG1 4.16Å; M452-V691 HydrophobicContact CE-CB 4.22Å; M452-V691 HydrophobicContact CE-CG1 4.11Å; L484-V691 HydrophobicContact CD2-CG1 4.19Å; L484-V691 HydrophobicContact CG-CG2 4.35Å; L485-V691 HydrophobicContact CD2-CG1 4.23Å; L485-V691 HydrophobicContact CD2-CG2 3.87Å; R488-V691 HydrophobicContact CG-CG2 4.25Å; L687-V691 HydrophobicContact CD1-CG2 4.24Å; L687-V691 VanDerWaalsContact O-CB 3.32Å; L687-V691 WeakPolarHBondContact O-CB 3.37Å; L687-V691 WeakPolarHBondContact O-CG2 3.49Å; L687-V691 PolarHBondContact O-N 3.47Å; V688-V691 PolarHBondContact O-N 2.89Å; N689-V691 VanDerWaalsContact C-N 3.33Å; N689-V691 PolarHBondContact O-N 3.32Å; V691-D693 VanDerWaalsContact C-N 3.32Å; V691-D693 PolarHBondContact O-N 3.49Å; V691-T694 PolarHBondContact O-N 2.92Å; V691-L695 WeakPolarHBondContact O-CA 3.29Å; V691-L695 WeakPolarHBondContact O-CB 3.19Å; V691-L695 PolarHBondContact O-N 2.81Å
692K94.2Very high94.9Very high59 Ų5945.2 Ų45.226%0.25724%0.243SC..Hα-helixtrans-51.2-48177.3-172.4-161.1179.9-170.20112.6C358 E362 V688 N689C358-K692 HydrophobicContact CB-CG 4.18Å; C358-K692 VanDerWaalsContact SG-CG 3.52Å; E362-K692 VanDerWaalsContact OE1-CE 3.27Å; E362-K692 WeakPolarHBondContact OE1-CE 3.41Å; E362-K692 IonicContact OE1-NZ 2.63Å; E362-K692 PolarHBondContact OE1-NZ 2.85Å; V688-K692 WeakPolarHBondContact O-CB 3.25Å; V688-K692 PolarHBondContact O-N 2.9Å; N689-K692 WeakPolarHBondContact O-CB 3.43Å; N689-K692 PolarHBondContact O-N 3.4Å
693D93.8Very high94.7Very high120 Ų12045.2 Ų45.264%0.64224%0.242SC*.Hα-helixtrans-76.6-28.5-176.9-61.5-23.5000113N689 V691N689-D693 VanDerWaalsContact O-CG 3.28Å; N689-D693 PolarHBondContact O-N 3.16Å; V691-D693 VanDerWaalsContact C-N 3.32Å; V691-D693 PolarHBondContact O-N 3.49Å
694T94.3Very high94.4Very high35 Ų3550.5 Ų50.522%0.21526%0.263CS..Hα-helixtrans-97.5-18.3-174.8-47.30000113.3H690 V691 Q696 S697 E698H690-T694 WeakPolarHBondContact O-CB 3.45Å; H690-T694 PolarHBondContact O-N 3.41Å; H690-T694 PolarHBondContact O-OG1 2.87Å; V691-T694 PolarHBondContact O-N 2.92Å; T694-Q696 PolarHBondContact O-N 2.64Å; T694-S697 PolarHBondContact O-N 2.97Å; T694-S697 PolarHBondContact O-OG 3.29Å; T694-E698 WeakPolarHBondContact O-CB 3.47Å; T694-E698 PolarHBondContact O-N 3.17Å
695L93.3Very high94.1Very high1 Ų151 Ų511%0.00526%0.264CS..Hα-helixtrans-56.6-50.2-172.4175.864000112.7A354 Y357 V481 L484 V691 S697 E698 L699A354-L695 HydrophobicContact CB-CD2 4.23Å; A354-L695 HydrophobicContact CB-CG 4.35Å; Y357-L695 HydrophobicContact CD1-CD2 3.27Å; Y357-L695 HydrophobicContact CE1-CD2 3.9Å; Y357-L695 HydrophobicContact CG-CD2 3.74Å; V481-L695 HydrophobicContact CB-CD1 4.31Å; V481-L695 HydrophobicContact CG1-CD1 4.06Å; V481-L695 HydrophobicContact CG2-CD1 3.53Å; L484-L695 HydrophobicContact CD2-CD1 4.44Å; V691-L695 WeakPolarHBondContact O-CA 3.29Å; V691-L695 WeakPolarHBondContact O-CB 3.19Å; V691-L695 PolarHBondContact O-N 2.81Å; L695-S697 PolarHBondContact O-N 2.85Å; L695-E698 PolarHBondContact O-N 2.98Å; L695-L699 HydrophobicContact CD1-CD1 3.64Å; L695-L699 HydrophobicContact CD1-CG 3.92Å; L695-L699 HydrophobicContact CG-CD1 3.82Å; L695-L699 HydrophobicContact CG-CG 4.43Å; L695-L699 VanDerWaalsContact O-CB 3.31Å; L695-L699 WeakPolarHBondContact O-CB 3.46Å; L695-L699 VanDerWaalsContact O-CG 3.28Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 2.98Å
696Q91.4Very high93.3Very high64 Ų6450.2 Ų50.230%0.29927%0.271SS..Hα-helixtrans-62.9-41.7-177.917768.6-7.700111.6T351 A354 T694 V700T351-Q696 PolarHBondContact OG1-NE2 3.12Å; A354-Q696 HydrophobicContact CB-CB 4.21Å; T694-Q696 PolarHBondContact O-N 2.64Å; Q696-V700 WeakPolarHBondContact O-CB 3.15Å; Q696-V700 VanDerWaalsContact O-CG2 3.26Å; Q696-V700 WeakPolarHBondContact O-CG2 3.29Å; Q696-V700 PolarHBondContact O-N 3.16Å; Q696-V700 VanDerWaalsContact O-N 3.08Å
697S93.8Very high93Very high76 Ų7651.8 Ų51.853%0.53129%0.289SS..Hα-helixtrans-75.2-36.6-178.954.20000112.7T694 L695 G701T694-S697 PolarHBondContact O-N 2.97Å; T694-S697 PolarHBondContact O-OG 3.29Å; L695-S697 PolarHBondContact O-N 2.85Å; S697-G701 PolarHBondContact O-N 3.46Å
698E93.9Very high92.7Very high45 Ų4554.3 Ų54.321%0.2130%0.303CS..Hα-helixtrans-68.8-44.1173.7-17375.3-166.700111.1V480 K487 T694 L695 G701 Q702V480-E698 HydrophobicContact CG1-CG 4.08Å; K487-E698 IonicContact NZ-OE1 2.67Å; K487-E698 PolarHBondContact NZ-OE1 2.7Å; K487-E698 VanDerWaalsContact NZ-OE1 3.15Å; T694-E698 WeakPolarHBondContact O-CB 3.47Å; T694-E698 PolarHBondContact O-N 3.17Å; L695-E698 PolarHBondContact O-N 2.98Å; E698-G701 PolarHBondContact O-N 2.8Å; E698-Q702 HydrophobicContact CG-CG 4.28Å; E698-Q702 WeakPolarHBondContact O-CB 3.47Å; E698-Q702 VanDerWaalsContact O-CG 3.29Å; E698-Q702 WeakPolarHBondContact O-CG 3.26Å; E698-Q702 PolarHBondContact O-N 3.39Å; E698-Q702 PolarHBondContact OE1-NE2 3.43Å
699L93.8Very high92.3Very high0 Ų055.6 Ų55.60%031%0.309CS..Hα-helixtrans-59.9-48.8176.4-76.6172.6000111.7I350 F353 A354 I477 V480 V481 L695 Q702 L703I350-L699 HydrophobicContact CG2-CB 3.68Å; I350-L699 HydrophobicContact CG2-CD1 4.22Å; F353-L699 HydrophobicContact CD1-CD1 3.8Å; F353-L699 HydrophobicContact CE1-CD1 4.06Å; A354-L699 HydrophobicContact CB-CD1 4.43Å; I477-L699 HydrophobicContact CB-CD2 4.37Å; I477-L699 HydrophobicContact CG1-CD2 4.33Å; I477-L699 HydrophobicContact CG2-CD2 4.03Å; V480-L699 HydrophobicContact CB-CD2 3.97Å; V480-L699 HydrophobicContact CG1-CD2 3.77Å; V480-L699 HydrophobicContact CG1-CG 4.45Å; V481-L699 HydrophobicContact CG2-CD2 4.18Å; L695-L699 HydrophobicContact CD1-CD1 3.64Å; L695-L699 HydrophobicContact CD1-CG 3.92Å; L695-L699 HydrophobicContact CG-CD1 3.82Å; L695-L699 HydrophobicContact CG-CG 4.43Å; L695-L699 VanDerWaalsContact O-CB 3.31Å; L695-L699 WeakPolarHBondContact O-CB 3.46Å; L695-L699 VanDerWaalsContact O-CG 3.28Å; L695-L699 WeakPolarHBondContact O-CG 3.33Å; L695-L699 PolarHBondContact O-N 2.98Å; L699-Q702 PolarHBondContact O-N 3.22Å; L699-L703 HydrophobicContact CD2-CD1 3.91Å; L699-L703 VanDerWaalsContact O-CB 3.25Å; L699-L703 WeakPolarHBondContact O-CB 3.46Å; L699-L703 WeakPolarHBondContact O-CG 3.3Å; L699-L703 PolarHBondContact O-N 3.37Å
700V93.9Very high91.9Very high39 Ų3957 Ų5724%0.23632%0.317CS..Hα-helixtrans-62.4-47.7175.6173.10000110.3L347 I350 Q696 Q702 L703 Y704L347-V700 HydrophobicContact CD1-CG2 3.95Å; I350-V700 HydrophobicContact CG2-CG2 3.92Å; Q696-V700 WeakPolarHBondContact O-CB 3.15Å; Q696-V700 VanDerWaalsContact O-CG2 3.26Å; Q696-V700 WeakPolarHBondContact O-CG2 3.29Å; Q696-V700 PolarHBondContact O-N 3.16Å; Q696-V700 VanDerWaalsContact O-N 3.08Å; V700-Q702 VanDerWaalsContact C-N 3.3Å; V700-Q702 PolarHBondContact O-N 2.99Å; V700-L703 PolarHBondContact O-N 2.94Å; V700-Y704 HydrophobicContact CG1-CG 4.4Å; V700-Y704 WeakPolarHBondContact O-CA 3.39Å; V700-Y704 WeakPolarHBondContact O-CB 3.48Å; V700-Y704 PolarHBondContact O-N 3.06Å
701G92.1Very high91.6Very high46 Ų4658.3 Ų58.347%0.47433%0.326SS..Hα-helixtrans-61.6-32.3-179.200000114.6S697 E698 K705S697-G701 PolarHBondContact O-N 3.46Å; E698-G701 PolarHBondContact O-N 2.8Å; G701-K705 VanDerWaalsContact O-CE 3.3Å; G701-K705 WeakPolarHBondContact O-CE 3.17Å
702Q92.4Very high91.3Very high73 Ų7359 Ų5934%0.34133%0.329SS..Hα-helixtrans-85.9-42.2178.3-63.1-58.7-6.400113.5V480 E698 L699 V700 K705V480-Q702 HydrophobicContact CG1-CB 4.39Å; V480-Q702 HydrophobicContact CG1-CG 4.23Å; V480-Q702 HydrophobicContact CG2-CB 3.99Å; V480-Q702 HydrophobicContact CG2-CG 4.35Å; E698-Q702 HydrophobicContact CG-CG 4.28Å; E698-Q702 WeakPolarHBondContact O-CB 3.47Å; E698-Q702 VanDerWaalsContact O-CG 3.29Å; E698-Q702 WeakPolarHBondContact O-CG 3.26Å; E698-Q702 PolarHBondContact O-N 3.39Å; E698-Q702 PolarHBondContact OE1-NE2 3.43Å; L699-Q702 PolarHBondContact O-N 3.22Å; V700-Q702 VanDerWaalsContact C-N 3.3Å; V700-Q702 PolarHBondContact O-N 2.99Å; Q702-K705 WeakPolarHBondContact O-CD 3.41Å; Q702-K705 VanDerWaalsContact O-CE 3.23Å; Q702-K705 WeakPolarHBondContact O-CE 3.43Å; Q702-K705 PolarHBondContact O-NZ 3.01Å
703L92.1Very high91Very high8 Ų856.8 Ų56.84%0.04232%0.32CS..Hα-helixtrans-98.1-29.9-168.5-55.5176000113.6I350 L473 A476 I477 V480 L699 V700 K705 L712I350-L703 HydrophobicContact CD1-CB 3.91Å; I350-L703 HydrophobicContact CD1-CD1 4.12Å; I350-L703 HydrophobicContact CG1-CD1 4.39Å; L473-L703 HydrophobicContact CD1-CD1 4.37Å; A476-L703 HydrophobicContact CB-CD2 3.78Å; I477-L703 HydrophobicContact CB-CD1 4.47Å; I477-L703 HydrophobicContact CG1-CD1 3.52Å; V480-L703 HydrophobicContact CG2-CD2 4.14Å; L699-L703 HydrophobicContact CD2-CD1 3.91Å; L699-L703 VanDerWaalsContact O-CB 3.25Å; L699-L703 WeakPolarHBondContact O-CB 3.46Å; L699-L703 WeakPolarHBondContact O-CG 3.3Å; L699-L703 PolarHBondContact O-N 3.37Å; V700-L703 PolarHBondContact O-N 2.94Å; L703-K705 PolarHBondContact O-N 3.05Å; L703-L712 HydrophobicContact CB-CD1 4.17Å; L703-L712 HydrophobicContact CD2-CD1 4.2Å
704Y92.4Very high90.7Very high110 Ų11053.7 Ų53.743%0.43131%0.306SS..  trans-80.269-179.2-167.5-102.2000111.3L346 V700L346-Y704 HydrophobicContact CD2-CD2 4.22Å; V700-Y704 HydrophobicContact CG1-CG 4.4Å; V700-Y704 WeakPolarHBondContact O-CA 3.39Å; V700-Y704 WeakPolarHBondContact O-CB 3.48Å; V700-Y704 PolarHBondContact O-N 3.06Å
705K90.7Very high90.1Very high84 Ų8454.6 Ų54.637%0.36531%0.307SS..  trans-124.9131.8177.3-65172.1-174.8147.10108.7G701 Q702 L703 S707 L708 L709G701-K705 VanDerWaalsContact O-CE 3.3Å; G701-K705 WeakPolarHBondContact O-CE 3.17Å; Q702-K705 WeakPolarHBondContact O-CD 3.41Å; Q702-K705 VanDerWaalsContact O-CE 3.23Å; Q702-K705 WeakPolarHBondContact O-CE 3.43Å; Q702-K705 PolarHBondContact O-NZ 3.01Å; L703-K705 PolarHBondContact O-N 3.05Å; K705-S707 PolarHBondContact O-N 2.97Å; K705-S707 VanDerWaalsContact O-N 3.15Å; K705-L708 HydrophobicContact CB-CB 4.41Å; K705-L708 HydrophobicContact CB-CD1 4.14Å; K705-L708 HydrophobicContact CB-CG 4.14Å; K705-L708 HydrophobicContact CD-CD1 4.01Å; K705-L708 PolarHBondContact O-N 3.05Å; K705-L709 PolarHBondContact O-N 2.92Å
706S81.1Confident89.7Confident104 Ų10456.1 Ų56.173%0.72732%0.318SS*.G310 helixtrans-53.9-37.7-177.1500000113.2L708 L709S706-L708 VanDerWaalsContact C-N 3.27Å; S706-L708 PolarHBondContact O-N 3.29Å; S706-L709 PolarHBondContact O-N 3.37Å
707S89.8Confident89.2Confident88 Ų8859.9 Ų59.962%0.61534%0.336SS*.G310 helixtrans-67.5-20.4176.861.50000114.8K705K705-S707 PolarHBondContact O-N 2.97Å; K705-S707 VanDerWaalsContact O-N 3.15Å
708L90.1Very high88.6Confident54 Ų5461.5 Ų61.528%0.28334%0.338SS..G310 helixtrans-99.9-11-178.3-61.4-179.1000112.7K705 S706 D710 D711 L712K705-L708 HydrophobicContact CB-CB 4.41Å; K705-L708 HydrophobicContact CB-CD1 4.14Å; K705-L708 HydrophobicContact CB-CG 4.14Å; K705-L708 HydrophobicContact CD-CD1 4.01Å; K705-L708 PolarHBondContact O-N 3.05Å; S706-L708 VanDerWaalsContact C-N 3.27Å; S706-L708 PolarHBondContact O-N 3.29Å; L708-D710 PolarHBondContact O-N 2.98Å; L708-D711 PolarHBondContact O-N 3Å; L708-L712 HydrophobicContact CB-CD1 3.81Å; L708-L712 HydrophobicContact CB-CG 4.11Å; L708-L712 VanDerWaalsContact O-CB 3.31Å; L708-L712 WeakPolarHBondContact O-CB 3.49Å; L708-L712 VanDerWaalsContact O-CG 3.25Å; L708-L712 WeakPolarHBondContact O-CG 3.45Å; L708-L712 PolarHBondContact O-N 3.08Å
709L87.9Confident88Confident29 Ų2961.4 Ų61.415%0.15234%0.339CS..Hα-helixtrans-60.5-43.5-176.4-65.1-177.4000112.3L346 K705 S706 L713L346-L709 HydrophobicContact CB-CD2 4.35Å; L346-L709 HydrophobicContact CD2-CD2 3.39Å; L346-L709 HydrophobicContact CG-CD2 4.5Å; K705-L709 PolarHBondContact O-N 2.92Å; S706-L709 PolarHBondContact O-N 3.37Å; L709-L713 VanDerWaalsContact O-CB 3.3Å; L709-L713 WeakPolarHBondContact O-CB 3.44Å; L709-L713 WeakPolarHBondContact O-CG 3.45Å; L709-L713 PolarHBondContact O-N 3.12Å
710D86.9Confident87.4Confident100 Ų10062.6 Ų62.654%0.53535%0.348SS..Hα-helixtrans-71.2-38.3-179.5-65-44.8000112.2K342 L708 T714K342-D710 IonicContact NZ-OD1 3.3Å; K342-D710 PolarHBondContact NZ-OD1 3.19Å; L708-D710 PolarHBondContact O-N 2.98Å; D710-T714 PolarHBondContact O-OG1 2.68Å
711D89.9Confident86.9Confident90 Ų9065.5 Ų65.548%0.48136%0.36SS..Hα-helixtrans-71.3-49.7178.1-85.4-36.5000112.2K472 L708 T714K472-D711 WeakPolarHBondContact CD-O 3.36Å; K472-D711 IonicContact NZ-OD1 3.77Å; L708-D711 PolarHBondContact O-N 3Å; D711-T714 PolarHBondContact O-N 3.03Å; D711-T714 PolarHBondContact O-OG1 2.91Å
712L89.5Confident86.4Confident14 Ų1470 Ų707%0.07336%0.362CS..Hα-helixtrans-68-38.5-176.1-65.6175.7000111.8L473 A476 L703 L708 T714L473-L712 HydrophobicContact CB-CB 4.19Å; L473-L712 WeakPolarHBondContact CB-O 3.42Å; L473-L712 HydrophobicContact CD1-CB 4.3Å; L473-L712 HydrophobicContact CD1-CD1 4.34Å; L473-L712 PolarHBondContact N-O 2.95Å; A476-L712 HydrophobicContact CB-CD2 3.6Å; L703-L712 HydrophobicContact CB-CD1 4.17Å; L703-L712 HydrophobicContact CD2-CD1 4.2Å; L708-L712 HydrophobicContact CB-CD1 3.81Å; L708-L712 HydrophobicContact CB-CG 4.11Å; L708-L712 VanDerWaalsContact O-CB 3.31Å; L708-L712 WeakPolarHBondContact O-CB 3.49Å; L708-L712 VanDerWaalsContact O-CG 3.25Å; L708-L712 WeakPolarHBondContact O-CG 3.45Å; L708-L712 PolarHBondContact O-N 3.08Å; L712-T714 VanDerWaalsContact C-N 3.25Å; L712-T714 PolarHBondContact O-N 3.08Å
713L88.2Confident86Confident12 Ų1268.8 Ų68.86%0.06336%0.355CS..THydrogen-bonded Turntrans-90.427179.4-56.9171.3000113.1V339 K342 L346 L349 F470 L473 L709 E715V339-L713 HydrophobicContact CG1-CD1 4.48Å; K342-L713 HydrophobicContact CB-CD1 3.67Å; K342-L713 HydrophobicContact CG-CD1 4.03Å; K342-L713 VanDerWaalsContact O-CD1 3.22Å; K342-L713 WeakPolarHBondContact O-CD1 3.48Å; L346-L713 HydrophobicContact CB-CD1 4.33Å; L349-L713 HydrophobicContact CD1-CD2 4.34Å; F470-L713 HydrophobicContact CD1-CB 4.14Å; F470-L713 HydrophobicContact CD1-CD2 4.16Å; F470-L713 HydrophobicContact CD2-CD2 4.23Å; F470-L713 HydrophobicContact CE1-CB 4.17Å; F470-L713 HydrophobicContact CE1-CD2 4.29Å; F470-L713 HydrophobicContact CE2-CD2 4.39Å; F470-L713 HydrophobicContact CG-CD2 4.13Å; F470-L713 HydrophobicContact CZ-CD2 4.43Å; L473-L713 HydrophobicContact CD2-CD2 3.88Å; L709-L713 VanDerWaalsContact O-CB 3.3Å; L709-L713 WeakPolarHBondContact O-CB 3.44Å; L709-L713 WeakPolarHBondContact O-CG 3.45Å; L709-L713 PolarHBondContact O-N 3.12Å; L713-E715 PolarHBondContact O-N 3.5Å
714T86.8Confident85.7Confident56 Ų5675 Ų7534%0.34438%0.381SS..PPolyproline II helixtrans-66.9120.1165-56.80000108.8K472 D710 D711 L712K472-T714 PolarHBondContact NZ-OG1 3.15Å; D710-T714 PolarHBondContact O-OG1 2.68Å; D711-T714 PolarHBondContact O-N 3.03Å; D711-T714 PolarHBondContact O-OG1 2.91Å; L712-T714 VanDerWaalsContact C-N 3.25Å; L712-T714 PolarHBondContact O-N 3.08Å
715E82.1Confident85.3Confident53 Ų5374.5 Ų74.525%0.24838%0.383CS..PPolyproline II helixtrans-71.8147.9174.9-69.5-171.7138.700112R469 F470 L713 R723R469-E715 IonicContact CZ-OE1 2.71Å; R469-E715 IonicContact NE-OE1 3.79Å; R469-E715 PolarHBondContact NE-OE1 2.9Å; R469-E715 IonicContact NH2-OE1 3.49Å; R469-E715 PolarHBondContact NH2-OE1 3.36Å; R469-E715 CarbonylContact O-C 3.5Å; R469-E715 WeakPolarHBondContact O-CA 3.21Å; F470-E715 HydrophobicContact CD1-CG 4.06Å; F470-E715 HydrophobicContact CE1-CG 3.49Å; F470-E715 VanDerWaalsContact CE1-CG 3.49Å; F470-E715 HydrophobicContact CZ-CG 4.28Å; L713-E715 PolarHBondContact O-N 3.5Å; E715-R723 IonicContact OE1-CZ 2.7Å; E715-R723 IonicContact OE1-NH1 2.61Å; E715-R723 PolarHBondContact OE1-NH1 3.16Å; E715-R723 IonicContact OE1-NH2 3.27Å; E715-R723 IonicContact OE2-CZ 3.4Å; E715-R723 IonicContact OE2-NH1 3.64Å; E715-R723 PolarHBondContact OE2-NH1 3.16Å; E715-R723 IonicContact OE2-NH2 3.14Å; E715-R723 PolarHBondContact OE2-NH2 2.64Å
716S84.2Confident85.1Confident33 Ų3370.7 Ų70.723%0.23137%0.367CS..PPolyproline II helixtrans-66.3128.8168.7177.50000110.8R469 D718 M719 A720R469-S716 PolarHBondContact O-N 3.08Å; S716-D718 VanDerWaalsContact C-N 3.3Å; S716-D718 PolarHBondContact O-N 3.24Å; S716-M719 PolarHBondContact O-N 3.13Å; S716-A720 PolarHBondContact O-N 3.4Å
717E82.4Confident85.3Confident144 Ų14467 Ų6767%0.67334%0.342SS*.Hα-helixtrans-57.4-41.4-178.5-167.864.9-153.900111.8M719 A720 Q721E717-M719 VanDerWaalsContact C-N 3.29Å; E717-M719 PolarHBondContact O-N 3.04Å; E717-A720 PolarHBondContact O-N 3.29Å; E717-Q721 WeakPolarHBondContact O-CB 3.43Å; E717-Q721 PolarHBondContact O-N 3.22Å
718D81.6Confident85.1Confident109 Ų10965.5 Ų65.558%0.58333%0.328SS*.Hα-helixtrans-60.6-38.5176.9-67.9-21000112.2S716 R722S716-D718 VanDerWaalsContact C-N 3.3Å; S716-D718 PolarHBondContact O-N 3.24Å; D718-R722 WeakPolarHBondContact O-CB 3.31Å; D718-R722 WeakPolarHBondContact O-CG 3.31Å; D718-R722 PolarHBondContact O-N 2.78Å
719M79.9Confident84.8Confident43 Ų4364 Ų6421%0.21232%0.319CS..Hα-helixtrans-75.5-39.1177.7-73-68.3-70.500111.3Y335 R469 S716 E717 R722 R723Y335-M719 HydrophobicContact CD1-CE 3.64Å; Y335-M719 HydrophobicContact CE1-CE 4.09Å; Y335-M719 HydrophobicContact CG-CE 4.4Å; R469-M719 HydrophobicContact CG-CE 4.29Å; S716-M719 PolarHBondContact O-N 3.13Å; E717-M719 VanDerWaalsContact C-N 3.29Å; E717-M719 PolarHBondContact O-N 3.04Å; M719-R722 PolarHBondContact O-N 3.49Å; M719-R723 VanDerWaalsContact O-CB 3.29Å; M719-R723 WeakPolarHBondContact O-CB 3.4Å; M719-R723 PolarHBondContact O-N 3.32Å
720A80.9Confident84.8Confident25 Ų2563.2 Ų63.221%0.20732%0.315CS..Hα-helixtrans-63.2-43.4175.100000111.3S716 E717 R723 K724S716-A720 PolarHBondContact O-N 3.4Å; E717-A720 PolarHBondContact O-N 3.29Å; A720-R723 PolarHBondContact O-N 2.94Å; A720-K724 WeakPolarHBondContact O-CB 3.32Å; A720-K724 PolarHBondContact O-N 3.04Å
721Q83.8Confident84.8Confident101 Ų10164.5 Ų64.547%0.47232%0.316SS..Hα-helixtrans-64-50174.8-177.2175.6-23.700111.3E717 R723 K724 E725E717-Q721 WeakPolarHBondContact O-CB 3.43Å; E717-Q721 PolarHBondContact O-N 3.22Å; Q721-R723 VanDerWaalsContact C-N 3.31Å; Q721-R723 PolarHBondContact O-N 3.42Å; Q721-K724 WeakPolarHBondContact O-CB 3.28Å; Q721-K724 PolarHBondContact O-N 3.25Å; Q721-K724 VanDerWaalsContact O-N 3.09Å; Q721-E725 HydrophobicContact CG-CG 4.41Å; Q721-E725 WeakPolarHBondContact CG-OE1 2.98Å; Q721-E725 PolarHBondContact NE2-OE1 3.05Å; Q721-E725 WeakPolarHBondContact O-CG 3.26Å; Q721-E725 PolarHBondContact O-N 3.12Å
722R82.9Confident84.5Confident139 Ų13960.8 Ų60.853%0.52530%0.298SS..Hα-helixtrans-59.4-39.5176.7-75.5172.9-178.4-174.13112.9Y335 D718 M719 A726Y335-R722 HydrophobicContact CE2-CB 4.17Å; D718-R722 WeakPolarHBondContact O-CB 3.31Å; D718-R722 WeakPolarHBondContact O-CG 3.31Å; D718-R722 PolarHBondContact O-N 2.78Å; M719-R722 PolarHBondContact O-N 3.49Å; R722-A726 WeakPolarHBondContact O-CB 3.37Å; R722-A726 PolarHBondContact O-N 3.18Å
723R83.6Confident84.3Confident49 Ų4960.1 Ų60.119%0.18530%0.295CS..Hα-helixtrans-66-40.4174.6-171-177.865.1-156.8-10.4111.3L332 Y335 E715 M719 A720 Q721 A726 A727L332-R723 HydrophobicContact CD2-CG 3.71Å; L332-R723 WeakPolarHBondContact CD2-O 3.35Å; Y335-R723 HydrophobicContact CD2-CB 3.99Å; Y335-R723 HydrophobicContact CD2-CG 4.31Å; Y335-R723 HydrophobicContact CG-CB 4.48Å; E715-R723 IonicContact OE1-CZ 2.7Å; E715-R723 IonicContact OE1-NH1 2.61Å; E715-R723 PolarHBondContact OE1-NH1 3.16Å; E715-R723 IonicContact OE1-NH2 3.27Å; E715-R723 IonicContact OE2-CZ 3.4Å; E715-R723 IonicContact OE2-NH1 3.64Å; E715-R723 PolarHBondContact OE2-NH1 3.16Å; E715-R723 IonicContact OE2-NH2 3.14Å; E715-R723 PolarHBondContact OE2-NH2 2.64Å; M719-R723 VanDerWaalsContact O-CB 3.29Å; M719-R723 WeakPolarHBondContact O-CB 3.4Å; M719-R723 PolarHBondContact O-N 3.32Å; A720-R723 PolarHBondContact O-N 2.94Å; Q721-R723 VanDerWaalsContact C-N 3.31Å; Q721-R723 PolarHBondContact O-N 3.42Å; R723-A726 PolarHBondContact O-N 3.5Å; R723-A727 VanDerWaalsContact O-CB 3.26Å; R723-A727 WeakPolarHBondContact O-CB 3.47Å; R723-A727 PolarHBondContact O-N 3.11Å
724K84.8Confident84.3Confident138 Ų13864 Ų6460%0.631%0.312SS*.Hα-helixtrans-63-47.9175.1-177.8-174.7173.8-170.10111.5A720 Q721 A726 A727 D728A720-K724 WeakPolarHBondContact O-CB 3.32Å; A720-K724 PolarHBondContact O-N 3.04Å; Q721-K724 WeakPolarHBondContact O-CB 3.28Å; Q721-K724 PolarHBondContact O-N 3.25Å; Q721-K724 VanDerWaalsContact O-N 3.09Å; K724-A726 PolarHBondContact O-N 2.88Å; K724-A727 PolarHBondContact O-N 3.03Å; K724-A727 VanDerWaalsContact O-N 3.13Å; K724-D728 WeakPolarHBondContact O-CB 3.36Å; K724-D728 PolarHBondContact O-N 2.94Å
725E84.3Confident84.2Confident99 Ų9962.3 Ų62.346%0.46331%0.307SS..Hα-helixtrans-58.2-46.4175.8-71.8169.3-176.600111.4Q721 A727 D728 M729Q721-E725 HydrophobicContact CG-CG 4.41Å; Q721-E725 WeakPolarHBondContact CG-OE1 2.98Å; Q721-E725 PolarHBondContact NE2-OE1 3.05Å; Q721-E725 WeakPolarHBondContact O-CG 3.26Å; Q721-E725 PolarHBondContact O-N 3.12Å; E725-A727 VanDerWaalsContact C-N 3.33Å; E725-A727 PolarHBondContact O-N 2.89Å; E725-D728 PolarHBondContact O-N 3.06Å; E725-M729 VanDerWaalsContact O-CB 3.31Å; E725-M729 WeakPolarHBondContact O-CB 3.42Å; E725-M729 VanDerWaalsContact O-CG 3.3Å; E725-M729 WeakPolarHBondContact O-CG 3.18Å; E725-M729 PolarHBondContact O-N 3.21Å
726A85.8Confident84.3Confident4 Ų459.8 Ų59.83%0.03330%0.295CS..Hα-helixtrans-63.5-35.917500000112.9Y328 L331 L332 Y335 R722 R723 K724 L730Y328-A726 HydrophobicContact CD1-CB 4.19Å; L331-A726 HydrophobicContact CD2-CB 4.17Å; L332-A726 HydrophobicContact CD2-CB 3.74Å; L332-A726 HydrophobicContact CG-CB 4.01Å; Y335-A726 HydrophobicContact CE2-CB 4.39Å; R722-A726 WeakPolarHBondContact O-CB 3.37Å; R722-A726 PolarHBondContact O-N 3.18Å; R723-A726 PolarHBondContact O-N 3.5Å; K724-A726 PolarHBondContact O-N 2.88Å; A726-L730 WeakPolarHBondContact O-CB 3.23Å; A726-L730 PolarHBondContact O-N 3.15Å
727A86.6Confident84.3Confident26 Ų2659.6 Ų59.622%0.21529%0.293CS..Hα-helixtrans-71.4-41.5178.100000112.1L332 R723 K724 E725 L730 K731L332-A727 HydrophobicContact CD1-CB 4.35Å; L332-A727 HydrophobicContact CD2-CB 4.03Å; R723-A727 VanDerWaalsContact O-CB 3.26Å; R723-A727 WeakPolarHBondContact O-CB 3.47Å; R723-A727 PolarHBondContact O-N 3.11Å; K724-A727 PolarHBondContact O-N 3.03Å; K724-A727 VanDerWaalsContact O-N 3.13Å; E725-A727 VanDerWaalsContact C-N 3.33Å; E725-A727 PolarHBondContact O-N 2.89Å; A727-L730 PolarHBondContact O-N 3.42Å; A727-K731 VanDerWaalsContact O-CG 3.29Å; A727-K731 WeakPolarHBondContact O-CG 3.35Å; A727-K731 PolarHBondContact O-N 2.79Å
728D85.3Confident84.5Confident58 Ų5859.2 Ų59.231%0.3129%0.291SS..Hα-helixtrans-71.8-37178-67.4-22.6000110.9K724 E725 K731 A732K724-D728 WeakPolarHBondContact O-CB 3.36Å; K724-D728 PolarHBondContact O-N 2.94Å; E725-D728 PolarHBondContact O-N 3.06Å; D728-K731 PolarHBondContact O-N 3.49Å; D728-K731 IonicContact OD1-NZ 3.3Å; D728-K731 PolarHBondContact OD1-NZ 3.22Å; D728-A732 WeakPolarHBondContact O-CB 3.38Å; D728-A732 PolarHBondContact O-N 3.05Å
729M84.4Confident84.5Confident21 Ų2155.1 Ų55.110%0.10327%0.269CS..Hα-helixtrans-59.9-44.8167.2-78.7-61.5-58.700112.7V18 A20 I22 Y328 E725 A732 L733V18-M729 HydrophobicContact CB-SD 3.69Å; V18-M729 HydrophobicContact CG1-SD 3.95Å; V18-M729 HydrophobicContact CG2-SD 4.18Å; A20-M729 HydrophobicContact CB-CE 4.05Å; A20-M729 HydrophobicContact CB-SD 4.25Å; I22-M729 HydrophobicContact CD1-CE 4.17Å; Y328-M729 HydrophobicContact CD1-CB 4.2Å; Y328-M729 HydrophobicContact CD2-CB 4.46Å; Y328-M729 HydrophobicContact CE1-CB 4.06Å; Y328-M729 HydrophobicContact CE1-CG 4.29Å; Y328-M729 HydrophobicContact CE2-CB 4.33Å; Y328-M729 HydrophobicContact CE2-CE 3.96Å; Y328-M729 HydrophobicContact CG-CB 4.4Å; E725-M729 VanDerWaalsContact O-CB 3.31Å; E725-M729 WeakPolarHBondContact O-CB 3.42Å; E725-M729 VanDerWaalsContact O-CG 3.3Å; E725-M729 WeakPolarHBondContact O-CG 3.18Å; E725-M729 PolarHBondContact O-N 3.21Å; M729-A732 PolarHBondContact O-N 3.25Å; M729-L733 WeakPolarHBondContact O-CB 3.48Å; M729-L733 VanDerWaalsContact O-CG 3.29Å; M729-L733 WeakPolarHBondContact O-CG 3.44Å; M729-L733 PolarHBondContact O-N 2.99Å
730L88.4Confident84.5Confident13 Ų1353.3 Ų53.37%0.06826%0.26CS..Hα-helixtrans-63.7-44.2177.9-179.263.8000111.6A325 Q329 L332 A726 A727 A732 L733 Q734A325-L730 HydrophobicContact CB-CD1 4.07Å; A325-L730 WeakPolarHBondContact O-CD1 3.43Å; Q329-L730 HydrophobicContact CB-CD2 4.41Å; Q329-L730 VanDerWaalsContact OE1-CD2 3.31Å; L332-L730 HydrophobicContact CD1-CB 4.03Å; L332-L730 HydrophobicContact CD1-CD2 3.5Å; L332-L730 HydrophobicContact CD1-CG 4.4Å; A726-L730 WeakPolarHBondContact O-CB 3.23Å; A726-L730 PolarHBondContact O-N 3.15Å; A727-L730 PolarHBondContact O-N 3.42Å; L730-A732 VanDerWaalsContact C-N 3.33Å; L730-A732 PolarHBondContact O-N 2.83Å; L730-L733 PolarHBondContact O-N 3.39Å; L730-Q734 HydrophobicContact CD1-CG 4.3Å; L730-Q734 HydrophobicContact CG-CG 4.38Å; L730-Q734 WeakPolarHBondContact O-CB 3.35Å; L730-Q734 VanDerWaalsContact O-CG 3.3Å; L730-Q734 WeakPolarHBondContact O-CG 3.31Å; L730-Q734 PolarHBondContact O-N 3.35Å
731K86.7Confident84.4Confident128 Ų12854 Ų5456%0.55727%0.266SS*.Hα-helixtrans-58.5-44.6174.7-70.7168.2-161.5158.50111.5A727 D728 L733 Q734 G735A727-K731 VanDerWaalsContact O-CG 3.29Å; A727-K731 WeakPolarHBondContact O-CG 3.35Å; A727-K731 PolarHBondContact O-N 2.79Å; D728-K731 PolarHBondContact O-N 3.49Å; D728-K731 IonicContact OD1-NZ 3.3Å; D728-K731 PolarHBondContact OD1-NZ 3.22Å; K731-L733 PolarHBondContact O-N 2.98Å; K731-Q734 PolarHBondContact O-N 3.32Å; K731-G735 PolarHBondContact O-N 3.41Å
732A82.5Confident83.9Confident12 Ų1253.9 Ų53.910%0.09927%0.266CS..Hα-helixtrans-62.2-41.9177.300000112V14 V18 D728 M729 L730 G735 A736V14-A732 HydrophobicContact CG1-CB 3.96Å; V18-A732 HydrophobicContact CB-CB 4.47Å; V18-A732 HydrophobicContact CG1-CB 4.06Å; V18-A732 HydrophobicContact CG2-CB 3.57Å; D728-A732 WeakPolarHBondContact O-CB 3.38Å; D728-A732 PolarHBondContact O-N 3.05Å; M729-A732 PolarHBondContact O-N 3.25Å; L730-A732 VanDerWaalsContact C-N 3.33Å; L730-A732 PolarHBondContact O-N 2.83Å; A732-G735 PolarHBondContact O-N 3.29Å; A732-A736 VanDerWaalsContact O-CB 3.31Å; A732-A736 WeakPolarHBondContact O-CB 3.36Å; A732-A736 PolarHBondContact O-N 3.41Å
733L86.2Confident83.1Confident0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-68-37.2176.1-70.6165.5000112.9F15 I23 I321 L324 A325 Y328 M729 L730 K731 A736 S737F15-L733 HydrophobicContact CE1-CD2 4.02Å; F15-L733 HydrophobicContact CZ-CD2 4.47Å; I23-L733 HydrophobicContact CD1-CD2 3.68Å; I321-L733 HydrophobicContact CG1-CD2 4.31Å; I321-L733 HydrophobicContact CG2-CB 4.47Å; I321-L733 HydrophobicContact CG2-CD2 4.1Å; L324-L733 HydrophobicContact CB-CD1 3.92Å; L324-L733 HydrophobicContact CB-CD2 4.23Å; A325-L733 HydrophobicContact CB-CB 4.21Å; Y328-L733 HydrophobicContact CD2-CD1 3.43Å; Y328-L733 VanDerWaalsContact CD2-CD1 3.43Å; Y328-L733 HydrophobicContact CE2-CD1 3.87Å; Y328-L733 HydrophobicContact CG-CD1 4.43Å; M729-L733 WeakPolarHBondContact O-CB 3.48Å; M729-L733 VanDerWaalsContact O-CG 3.29Å; M729-L733 WeakPolarHBondContact O-CG 3.44Å; M729-L733 PolarHBondContact O-N 2.99Å; L730-L733 PolarHBondContact O-N 3.39Å; K731-L733 PolarHBondContact O-N 2.98Å; L733-A736 PolarHBondContact O-N 3.45Å; L733-S737 WeakPolarHBondContact O-CB 3.33Å; L733-S737 PolarHBondContact O-N 2.79Å
734Q87Confident81.9Confident92 Ų9252.9 Ų52.943%0.4326%0.263SS..Hα-helixtrans-64.5-47.1173.5-74172.8-6.700111.1L730 K731 A736 S737 Q738L730-Q734 HydrophobicContact CD1-CG 4.3Å; L730-Q734 HydrophobicContact CG-CG 4.38Å; L730-Q734 WeakPolarHBondContact O-CB 3.35Å; L730-Q734 VanDerWaalsContact O-CG 3.3Å; L730-Q734 WeakPolarHBondContact O-CG 3.31Å; L730-Q734 PolarHBondContact O-N 3.35Å; K731-Q734 PolarHBondContact O-N 3.32Å; Q734-A736 PolarHBondContact O-N 3.34Å; Q734-S737 PolarHBondContact O-N 3.14Å; Q734-S737 VanDerWaalsContact O-N 3.16Å; Q734-Q738 PolarHBondContact O-N 3.44Å
735G84.9Confident80.2Confident22 Ų2253.6 Ų53.623%0.22727%0.268CS..Hα-helixtrans-59.9-43.7173.600000112.5K731 A732 S737 Q738 I739K731-G735 PolarHBondContact O-N 3.41Å; A732-G735 PolarHBondContact O-N 3.29Å; G735-S737 VanDerWaalsContact C-N 3.32Å; G735-S737 PolarHBondContact O-N 3.17Å; G735-Q738 PolarHBondContact O-N 3.35Å; G735-I739 WeakPolarHBondContact O-CB 3.34Å; G735-I739 WeakPolarHBondContact O-CD1 3.43Å; G735-I739 VanDerWaalsContact O-CG1 3.26Å; G735-I739 WeakPolarHBondContact O-CG1 3.44Å; G735-I739 PolarHBondContact O-N 3.43Å
736A83.7Confident78.5Confident0 Ų052.8 Ų52.80%027%0.27CS..Hα-helixtrans-61.4-38.1173.800000112.7L11 F15 I321 A732 L733 Q734 I739 I740L11-A736 HydrophobicContact CD2-CB 3.7Å; F15-A736 HydrophobicContact CE1-CB 4.2Å; F15-A736 HydrophobicContact CE2-CB 4.09Å; F15-A736 HydrophobicContact CZ-CB 3.47Å; F15-A736 VanDerWaalsContact CZ-CB 3.47Å; I321-A736 HydrophobicContact CD1-CB 4.27Å; A732-A736 VanDerWaalsContact O-CB 3.31Å; A732-A736 WeakPolarHBondContact O-CB 3.36Å; A732-A736 PolarHBondContact O-N 3.41Å; L733-A736 PolarHBondContact O-N 3.45Å; Q734-A736 PolarHBondContact O-N 3.34Å; A736-I739 PolarHBondContact O-N 3.33Å; A736-I740 WeakPolarHBondContact O-CB 3.45Å; A736-I740 VanDerWaalsContact O-CG1 3.27Å; A736-I740 WeakPolarHBondContact O-CG1 3.4Å; A736-I740 PolarHBondContact O-N 2.97Å
737S85.9Confident76.7Confident29 Ų2955.6 Ų55.620%0.20328%0.282CS..Hα-helixtrans-69.1-36.2176.9-1610000112.5N322 L733 Q734 G735 I740 A741N322-S737 PolarHBondContact OD1-OG 2.81Å; L733-S737 WeakPolarHBondContact O-CB 3.33Å; L733-S737 PolarHBondContact O-N 2.79Å; Q734-S737 PolarHBondContact O-N 3.14Å; Q734-S737 VanDerWaalsContact O-N 3.16Å; G735-S737 VanDerWaalsContact C-N 3.32Å; G735-S737 PolarHBondContact O-N 3.17Å; S737-I740 PolarHBondContact O-N 3.06Å; S737-A741 PolarHBondContact O-N 3.29Å
738Q85.3Confident74.2Confident135 Ų13561.2 Ų61.263%0.63131%0.308SS*.Hα-helixtrans-64.3-49171.1-72.5177.2-1400111.6Q734 G735 I740 A741 E742Q734-Q738 PolarHBondContact O-N 3.44Å; G735-Q738 PolarHBondContact O-N 3.35Å; Q738-I740 PolarHBondContact O-N 3.41Å; Q738-A741 WeakPolarHBondContact O-CA 3.47Å; Q738-A741 VanDerWaalsContact O-CB 3.28Å; Q738-A741 WeakPolarHBondContact O-CB 3.43Å; Q738-A741 PolarHBondContact O-N 3.11Å; Q738-E742 PolarHBondContact O-N 2.96Å; Q738-E742 VanDerWaalsContact O-N 3.13Å
739I82.4Confident71.7Confident23 Ų2373.5 Ų73.512%0.11835%0.35CS..Hα-helixtrans-55.5-37.9175.2-70.7164.6000111.2V7 K10 L11 V14 G735 A736V7-I739 HydrophobicContact CG1-CG2 3.49Å; V7-I739 VanDerWaalsContact CG1-CG2 3.49Å; K10-I739 HydrophobicContact CB-CD1 4.32Å; K10-I739 HydrophobicContact CB-CG2 4.43Å; L11-I739 HydrophobicContact CD2-CB 3.99Å; L11-I739 HydrophobicContact CD2-CD1 4.39Å; L11-I739 HydrophobicContact CD2-CG2 3.67Å; L11-I739 HydrophobicContact CG-CG2 3.87Å; V14-I739 HydrophobicContact CG2-CD1 4.02Å; G735-I739 WeakPolarHBondContact O-CB 3.34Å; G735-I739 WeakPolarHBondContact O-CD1 3.43Å; G735-I739 VanDerWaalsContact O-CG1 3.26Å; G735-I739 WeakPolarHBondContact O-CG1 3.44Å; G735-I739 PolarHBondContact O-N 3.43Å; A736-I739 PolarHBondContact O-N 3.33Å
740I79.9Confident71.1Confident5 Ų576.1 Ų76.13%0.02636%0.362CS..Hα-helixtrans-77.2-20.7175.5-67.4166.6000112.9L11 L314 L317 K318 I321 A736 S737 Q738 I743L11-I740 HydrophobicContact CD1-CD1 4.07Å; L11-I740 HydrophobicContact CD1-CG1 3.87Å; L11-I740 HydrophobicContact CD2-CD1 4.33Å; L11-I740 HydrophobicContact CD2-CG1 4.21Å; L314-I740 HydrophobicContact CD2-CG1 4.48Å; L317-I740 HydrophobicContact CG-CD1 4.42Å; K318-I740 HydrophobicContact CB-CG2 3.98Å; K318-I740 HydrophobicContact CD-CG2 3.83Å; K318-I740 HydrophobicContact CG-CG2 3.92Å; I321-I740 HydrophobicContact CD1-CD1 3.4Å; I321-I740 VanDerWaalsContact CD1-CD1 3.4Å; A736-I740 WeakPolarHBondContact O-CB 3.45Å; A736-I740 VanDerWaalsContact O-CG1 3.27Å; A736-I740 WeakPolarHBondContact O-CG1 3.4Å; A736-I740 PolarHBondContact O-N 2.97Å; S737-I740 PolarHBondContact O-N 3.06Å; Q738-I740 PolarHBondContact O-N 3.41Å; I740-I743 HydrophobicContact CB-CD1 4.36Å; I740-I743 HydrophobicContact CG1-CD1 4.2Å; I740-I743 HydrophobicContact CG2-CD1 4.46Å
741A78.5Confident70.2Confident40 Ų4079.4 Ų79.433%0.33138%0.378SS..Hα-helixtrans-71-4617300000111.1S737 Q738 I743 R744S737-A741 PolarHBondContact O-N 3.29Å; Q738-A741 WeakPolarHBondContact O-CA 3.47Å; Q738-A741 VanDerWaalsContact O-CB 3.28Å; Q738-A741 WeakPolarHBondContact O-CB 3.43Å; Q738-A741 PolarHBondContact O-N 3.11Å; A741-I743 PolarHBondContact O-N 3.03Å; A741-I743 VanDerWaalsContact O-N 3.14Å; A741-R744 PolarHBondContact O-N 3.33Å
742E73.1Confident69.3Low98 Ų9876.7 Ų76.746%0.45837%0.368SS..Hα-helixtrans-50.5-38.5174.8-65.4174.2-171.300111.9Q738 R744 E745 T746Q738-E742 PolarHBondContact O-N 2.96Å; Q738-E742 VanDerWaalsContact O-N 3.13Å; E742-R744 VanDerWaalsContact C-N 3.31Å; E742-R744 PolarHBondContact O-N 3.21Å; E742-E745 PolarHBondContact O-N 3.16Å; E742-T746 PolarHBondContact O-N 3.45Å
743I65.1Low68.5Low9 Ų980.5 Ų80.55%0.04638%0.384CS..Hα-helixtrans-55.3-42.4177.1-61173.5000112.3L4 V7 L314 I740 A741 E745 T746 H747L4-I743 HydrophobicContact CD2-CD1 4.35Å; L4-I743 HydrophobicContact CD2-CG1 4.45Å; L4-I743 HydrophobicContact CD2-CG2 3.58Å; V7-I743 HydrophobicContact CB-CD1 4.37Å; V7-I743 HydrophobicContact CB-CG1 4.26Å; V7-I743 HydrophobicContact CG1-CD1 3.44Å; V7-I743 VanDerWaalsContact CG1-CD1 3.44Å; V7-I743 HydrophobicContact CG1-CG1 3.56Å; V7-I743 HydrophobicContact CG2-CG1 4.27Å; L314-I743 HydrophobicContact CD1-CD1 3.99Å; L314-I743 HydrophobicContact CD1-CG2 4.14Å; L314-I743 HydrophobicContact CD2-CD1 3.77Å; I740-I743 HydrophobicContact CB-CD1 4.36Å; I740-I743 HydrophobicContact CG1-CD1 4.2Å; I740-I743 HydrophobicContact CG2-CD1 4.46Å; A741-I743 PolarHBondContact O-N 3.03Å; A741-I743 VanDerWaalsContact O-N 3.14Å; I743-E745 VanDerWaalsContact C-N 3.32Å; I743-E745 PolarHBondContact O-N 2.85Å; I743-T746 PolarHBondContact O-N 3.1Å; I743-T746 PolarHBondContact O-OG1 3.11Å; I743-H747 PolarHBondContact O-CD2 2.96Å; I743-H747 PolarHBondContact O-N 3.23Å
744R58.4Low67.4Low159 Ų15985.6 Ų85.660%0.641%0.408SS*.Hα-helixtrans-67.1-35.2-173.7-71.3-169.9-179.2-162.3-3.1112.3A741 E742 T746 H747A741-R744 PolarHBondContact O-N 3.33Å; E742-R744 VanDerWaalsContact C-N 3.31Å; E742-R744 PolarHBondContact O-N 3.21Å; R744-T746 VanDerWaalsContact C-N 3.34Å; R744-H747 PolarHBondContact O-N 3.19Å
745E51Low66.1Low152 Ų15285.1 Ų85.171%0.7141%0.406SS*.Hα-helixtrans-67.7-38.6176.9-62.8179177.700110.4E742 I743 H747 L748E742-E745 PolarHBondContact O-N 3.16Å; I743-E745 VanDerWaalsContact C-N 3.32Å; I743-E745 PolarHBondContact O-N 2.85Å; E745-H747 PolarHBondContact O-N 3.07Å; E745-L748 PolarHBondContact O-N 3.41Å
746T47.2Very low64.8Low82 Ų8289.6 Ų89.650%0.50342%0.419SS..THydrogen-bonded Turntrans-73.8-2.7174.668.10000115.5E742 I743 R744E742-T746 PolarHBondContact O-N 3.45Å; I743-T746 PolarHBondContact O-N 3.1Å; I743-T746 PolarHBondContact O-OG1 3.11Å; R744-T746 VanDerWaalsContact C-N 3.34Å
747H48.1Very low63.3Low64 Ų6496.5 Ų96.530%0.29645%0.451SS..THydrogen-bonded Turntrans-106.97.4174.7-84.4-60.6000114.2L4 I743 R744 E745 W749L4-H747 WeakPolarHBondContact CD1-NE2 3.48Å; I743-H747 PolarHBondContact O-CD2 2.96Å; I743-H747 PolarHBondContact O-N 3.23Å; R744-H747 PolarHBondContact O-N 3.19Å; E745-H747 PolarHBondContact O-N 3.07Å; H747-W749 PolarHBondContact O-N 3.4Å
748L35Very low61.4Low144 Ų144102.2 Ų102.275%0.75447%0.472SS*.  trans-78.656.5159.6-76.7164.2000110.6E745E745-L748 PolarHBondContact O-N 3.41Å
749W33.2Very low59.2Low315 Ų31599.2 Ų99.2100%1.19346%0.458SS*.  trans-172.80159.6-97.515000110.7H747H747-W749 PolarHBondContact O-N 3.4Å

Retrieved 749 of 749 residues in 2854.8 ms (Link to these results)

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