A0A077ZB01_TRITR Loading...

Patched domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZB01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 601 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
1M90.3Very high87.2Confident99 Ų9946.5 Ų46.549%0.48822%0.22SC..  0-62.10-64.5-171.6-179.400114.5I3 M4 V5 Q72 F76M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.41Å; M1-M4 WeakPolarHBondContact O-CB 3.36Å; M1-M4 PolarHBondContact O-N 3.15Å; M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.09Å; M1-Q72 HydrophobicContact CE-CG 4.19Å; M1-Q72 HydrophobicContact CG-CG 4.3Å; M1-F76 HydrophobicContact CB-CD1 4.35Å; M1-F76 HydrophobicContact CB-CE1 3.8Å; M1-F76 HydrophobicContact CB-CZ 4.08Å; M1-F76 HydrophobicContact CE-CB 4.36Å; M1-F76 HydrophobicContact CE-CD1 4.47Å; M1-F76 HydrophobicContact CE-CD2 4.35Å; M1-F76 HydrophobicContact CE-CG 4.15Å; M1-F76 HydrophobicContact CG-CD1 3.75Å; M1-F76 HydrophobicContact CG-CE1 3.71Å; M1-F76 HydrophobicContact CG-CG 4.3Å; M1-F76 HydrophobicContact CG-CZ 4.13Å; M1-F76 HydrophobicContact SD-CD1 4.39Å; M1-F76 HydrophobicContact SD-CD2 4.28Å; M1-F76 HydrophobicContact SD-CE1 4.45Å; M1-F76 HydrophobicContact SD-CE2 4.28Å; M1-F76 HydrophobicContact SD-CG 4.37Å; M1-F76 HydrophobicContact SD-CZ 4.39Å
2F90.4Very high86.6Confident91 Ų9149.2 Ų49.240%0.39924%0.237SC..Hα-helixtrans-53.5-40.7-175.8-68.3-63000114.3M4 V5 S6 P513 L516 A520F2-M4 VanDerWaalsContact C-N 3.33Å; F2-M4 PolarHBondContact O-N 3.02Å; F2-V5 PolarHBondContact O-N 3.09Å; F2-S6 PolarHBondContact O-N 2.69Å; F2-P513 HydrophobicContact CB-CB 4.38Å; F2-L516 HydrophobicContact CD1-CD2 3.4Å; F2-L516 HydrophobicContact CD1-CG 3.97Å; F2-L516 HydrophobicContact CD2-CG 4.35Å; F2-L516 HydrophobicContact CE1-CD2 3.41Å; F2-L516 VanDerWaalsContact CE1-CD2 3.41Å; F2-L516 HydrophobicContact CE1-CG 3.81Å; F2-L516 HydrophobicContact CE2-CG 4.2Å; F2-L516 HydrophobicContact CG-CD2 4.05Å; F2-L516 HydrophobicContact CG-CG 4.25Å; F2-L516 HydrophobicContact CZ-CD2 4.06Å; F2-L516 HydrophobicContact CZ-CG 3.93Å; F2-A520 HydrophobicContact CE2-CB 4.11Å
3I88.6Confident85.9Confident17 Ų1748.7 Ų48.79%0.08724%0.24CC..Hα-helixtrans-63.7-39.9177.5-63.5172.1000111.5M1 S6 A7 A28 H487 L510 P513 V514M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 3.41Å; I3-S6 WeakPolarHBondContact O-CB 3.47Å; I3-S6 PolarHBondContact O-N 3.17Å; I3-A7 PolarHBondContact O-N 3.48Å; I3-A28 HydrophobicContact CG2-CB 4.31Å; I3-H487 HydrophobicContact CD1-CB 4.3Å; I3-H487 WeakPolarHBondContact CD1-CD2 3.33Å; I3-H487 VanDerWaalsContact CD1-CG 3.49Å; I3-H487 WeakPolarHBondContact CD1-NE2 3.35Å; I3-L510 HydrophobicContact CG2-CD2 4.12Å; I3-P513 HydrophobicContact CG1-CB 3.87Å; I3-V514 HydrophobicContact CD1-CG2 4.48Å
4M89.9Confident85Confident3 Ų350.4 Ų50.42%0.01525%0.249CC..Hα-helixtrans-70-37.4180-165.9164.459.400112M1 F2 S6 A7 W8 T24 L25 A28 I32 F76 M80M1-M4 WeakPolarHBondContact O-CB 3.36Å; M1-M4 PolarHBondContact O-N 3.15Å; F2-M4 VanDerWaalsContact C-N 3.33Å; F2-M4 PolarHBondContact O-N 3.02Å; M4-S6 VanDerWaalsContact C-N 3.34Å; M4-A7 PolarHBondContact O-N 3.28Å; M4-W8 PolarHBondContact O-N 3.39Å; M4-T24 HydrophobicContact CG-CG2 3.78Å; M4-T24 VanDerWaalsContact O-CG2 3.31Å; M4-T24 WeakPolarHBondContact O-CG2 3.46Å; M4-L25 HydrophobicContact SD-CD2 3.7Å; M4-A28 HydrophobicContact CB-CB 4.49Å; M4-A28 HydrophobicContact CG-CB 4.46Å; M4-I32 HydrophobicContact CB-CD1 4Å; M4-F76 HydrophobicContact CE-CD1 3Å; M4-F76 HydrophobicContact CE-CE1 3.26Å; M4-F76 HydrophobicContact CE-CG 4.11Å; M4-M80 HydrophobicContact CE-CE 3.42Å; M4-M80 VanDerWaalsContact CE-CE 3.42Å; M4-M80 HydrophobicContact CE-SD 3.84Å; M4-M80 HydrophobicContact CG-CE 3.55Å; M4-M80 HydrophobicContact CG-SD 3.92Å; M4-M80 HydrophobicContact SD-CE 3.5Å; M4-M80 VanDerWaalsContact SD-CE 3.5Å; M4-M80 HydrophobicContact SD-SD 4.4Å
5V89.3Confident84.8Confident41 Ų4150.7 Ų50.725%0.24825%0.251CS..Hα-helixtrans-66-38.6172.4177.40000111.2M1 F2 W8 W9 F76M1-V5 PolarHBondContact O-N 3.03Å; M1-V5 VanDerWaalsContact O-N 3.09Å; F2-V5 PolarHBondContact O-N 3.09Å; V5-W8 WeakPolarHBondContact O-CB 3.5Å; V5-W8 PolarHBondContact O-N 2.85Å; V5-W9 HydrophobicContact CG1-CD2 4.21Å; V5-W9 HydrophobicContact CG1-CH2 4.13Å; V5-W9 HydrophobicContact CG1-CZ2 3.77Å; V5-W9 PolarHBondContact O-N 3.25Å; V5-W9 VanDerWaalsContact O-N 3.08Å; V5-F76 HydrophobicContact CG2-CE1 4.36Å; V5-F76 HydrophobicContact CG2-CZ 3.79Å
6S86.5Confident84.9Confident20 Ų2057.8 Ų57.814%0.1428%0.281CS..Hα-helixtrans-61.6-45.8175.2-160.60000111.6F2 I3 M4 W8 W9 E10 P513F2-S6 PolarHBondContact O-N 2.69Å; I3-S6 WeakPolarHBondContact O-CB 3.47Å; I3-S6 PolarHBondContact O-N 3.17Å; M4-S6 VanDerWaalsContact C-N 3.34Å; S6-W8 VanDerWaalsContact C-N 3.3Å; S6-W8 PolarHBondContact O-N 2.85Å; S6-W9 PolarHBondContact O-N 2.9Å; S6-E10 PolarHBondContact O-N 2.92Å; S6-P513 VanDerWaalsContact CB-CG 3.41Å; S6-P513 VanDerWaalsContact OG-CG 3.25Å; S6-P513 WeakPolarHBondContact OG-CG 3.47Å
7A86.8Confident85.2Confident10 Ų1054.9 Ų54.98%0.08327%0.267CS..Hα-helixtrans-63.1-35.9175.500000112I3 M4 W9 E10 T11 T24 A28I3-A7 PolarHBondContact O-N 3.48Å; M4-A7 PolarHBondContact O-N 3.28Å; A7-W9 VanDerWaalsContact C-N 3.33Å; A7-W9 PolarHBondContact O-N 3.13Å; A7-E10 PolarHBondContact O-N 3.47Å; A7-T11 WeakPolarHBondContact O-CG2 3.48Å; A7-T11 PolarHBondContact O-N 3.46Å; A7-T24 HydrophobicContact CB-CG2 3.96Å; A7-A28 HydrophobicContact CB-CB 3.82Å
8W88.6Confident85.4Confident15 Ų1560.9 Ų60.96%0.05730%0.295CS..Hα-helixtrans-60-41.6173.5-179.7-89.7000112.5M4 V5 S6 E10 T11 T17 R20 L21 T24 E87M4-W8 PolarHBondContact O-N 3.39Å; V5-W8 WeakPolarHBondContact O-CB 3.5Å; V5-W8 PolarHBondContact O-N 2.85Å; S6-W8 VanDerWaalsContact C-N 3.3Å; S6-W8 PolarHBondContact O-N 2.85Å; W8-E10 VanDerWaalsContact C-N 3.28Å; W8-E10 PolarHBondContact O-N 3.34Å; W8-T11 PolarHBondContact O-N 2.93Å; W8-T11 PolarHBondContact O-OG1 3.4Å; W8-T17 HydrophobicContact CH2-CG2 4.01Å; W8-R20 HydrophobicContact CE3-CB 4.46Å; W8-R20 HydrophobicContact CH2-CB 3.78Å; W8-R20 HydrophobicContact CZ2-CB 4.28Å; W8-R20 HydrophobicContact CZ3-CB 3.91Å; W8-R20 VanDerWaalsContact NE1-NH2 3.12Å; W8-R20 PolarHBondContact O-NH2 2.99Å; W8-L21 HydrophobicContact CZ3-CB 3.86Å; W8-L21 HydrophobicContact CZ3-CD1 4.13Å; W8-T24 WeakPolarHBondContact CA-OG1 3.47Å; W8-T24 HydrophobicContact CB-CG2 4.15Å; W8-T24 HydrophobicContact CE3-CG2 4.49Å; W8-E87 PolarHBondContact NE1-OE2 3.31Å
9W84.7Confident85.7Confident117 Ų11761 Ų6144%0.44330%0.302SS..Hα-helixtrans-71.1-21.2178.1-68.8-24.3000114.2V5 S6 A7 S114V5-W9 HydrophobicContact CG1-CD2 4.21Å; V5-W9 HydrophobicContact CG1-CH2 4.13Å; V5-W9 HydrophobicContact CG1-CZ2 3.77Å; V5-W9 PolarHBondContact O-N 3.25Å; V5-W9 VanDerWaalsContact O-N 3.08Å; S6-W9 PolarHBondContact O-N 2.9Å; A7-W9 VanDerWaalsContact C-N 3.33Å; A7-W9 PolarHBondContact O-N 3.13Å; W9-S114 WeakPolarHBondContact CH2-O 3.45Å; W9-S114 WeakPolarHBondContact CZ2-O 3.41Å
10E80.2Confident85.9Confident95 Ų9558.1 Ų58.144%0.44429%0.287SS..Hα-helixtrans-81.7-16.8174.3-69.3-177.2175.200112.6S6 A7 W8 V509S6-E10 PolarHBondContact O-N 2.92Å; A7-E10 PolarHBondContact O-N 3.47Å; W8-E10 VanDerWaalsContact C-N 3.28Å; W8-E10 PolarHBondContact O-N 3.34Å; E10-V509 WeakPolarHBondContact OE1-CG1 3.29Å; E10-V509 WeakPolarHBondContact OE1-CG2 3.24Å; E10-V509 WeakPolarHBondContact OE2-CG1 3.49Å
11T84.3Confident86.2Confident3 Ų356.7 Ų56.72%0.01828%0.281CS..SBendtrans-68.5150.1172.567.30000111.6A7 W8 P13 R20 Q23 T24A7-T11 WeakPolarHBondContact O-CG2 3.48Å; A7-T11 PolarHBondContact O-N 3.46Å; W8-T11 PolarHBondContact O-N 2.93Å; W8-T11 PolarHBondContact O-OG1 3.4Å; T11-P13 VanDerWaalsContact O-CD 3.26Å; T11-P13 WeakPolarHBondContact O-CD 3.31Å; T11-R20 PolarHBondContact OG1-NE 3.47Å; T11-R20 PolarHBondContact OG1-NH2 3.42Å; T11-Q23 HydrophobicContact CG2-CB 4.16Å; T11-Q23 HydrophobicContact CG2-CG 4.2Å; T11-T24 WeakPolarHBondContact CG2-OG1 3.41Å
12N80Confident86.3Confident79 Ų7954.8 Ų54.842%0.42228%0.281SS..  trans-62.6119.8176.5-173.9-6.9000110.1M14 D15 R20N12-M14 PolarHBondContact O-N 2.82Å; N12-M14 WeakPolarHBondContact OD1-CB 3.49Å; N12-M14 WeakPolarHBondContact OD1-CG 3.34Å; N12-M14 PolarHBondContact OD1-N 2.93Å; N12-M14 VanDerWaalsContact OD1-N 3.09Å; N12-D15 PolarHBondContact O-N 3.13Å; N12-R20 VanDerWaalsContact O-CD 3.3Å; N12-R20 WeakPolarHBondContact O-CD 3.13Å; N12-R20 PolarHBondContact O-NE 3.15Å
13P77.1Confident86.2Confident43 Ų4353.8 Ų53.828%0.27928%0.278SS..THydrogen-bonded Turntrans-60.4-17.1179.1-23.834.4000114.1T11 V119T11-P13 VanDerWaalsContact O-CD 3.26Å; T11-P13 WeakPolarHBondContact O-CD 3.31Å; P13-V119 HydrophobicContact CB-CG2 4.27Å
14M73.3Confident86.3Confident73 Ų7353 Ų5336%0.3627%0.274SS..THydrogen-bonded Turntrans-84-14.6-177.2-53.7-53.2-63.500113.8N12 V119N12-M14 PolarHBondContact O-N 2.82Å; N12-M14 WeakPolarHBondContact OD1-CB 3.49Å; N12-M14 WeakPolarHBondContact OD1-CG 3.34Å; N12-M14 PolarHBondContact OD1-N 2.93Å; N12-M14 VanDerWaalsContact OD1-N 3.09Å; M14-V119 HydrophobicContact CE-CG1 4.28Å; M14-V119 HydrophobicContact SD-CG1 3.72Å; M14-V119 HydrophobicContact SD-CG2 4.11Å
15D81.5Confident86.3Confident54 Ų5455.3 Ų55.329%0.28929%0.286SS..SBendtrans-77.2152.8-179.4-69.4-17.4000111.1N12 T17 R20N12-D15 PolarHBondContact O-N 3.13Å; D15-T17 PolarHBondContact O-N 3.44Å; D15-R20 HydrophobicContact CB-CG 3.71Å; D15-R20 WeakPolarHBondContact O-CD 3.39Å
16K86.9Confident86.2Confident165 Ų16556.6 Ų56.672%0.71730%0.297SS*.  trans-55.9141.9172.7-67.3-178-179.2177.50110.1E18 S19 R20K16-E18 PolarHBondContact O-N 3.26Å; K16-E18 VanDerWaalsContact O-N 3.1Å; K16-S19 WeakPolarHBondContact O-CA 3.32Å; K16-S19 WeakPolarHBondContact O-CB 3.43Å; K16-S19 PolarHBondContact O-N 2.74Å; K16-R20 PolarHBondContact O-N 3.05Å
17T89.5Confident85.9Confident9 Ų959.6 Ų59.66%0.05531%0.309CS..Hα-helixtrans-47.5-43179.7-53.40000113.2W8 D15 S19 R20 L21 A81 D85 I88W8-T17 HydrophobicContact CH2-CG2 4.01Å; D15-T17 PolarHBondContact O-N 3.44Å; T17-S19 VanDerWaalsContact C-N 3.34Å; T17-S19 PolarHBondContact O-N 3.49Å; T17-R20 PolarHBondContact O-N 3.45Å; T17-L21 WeakPolarHBondContact O-CB 3.44Å; T17-L21 PolarHBondContact O-N 2.89Å; T17-A81 HydrophobicContact CG2-CB 4.12Å; T17-A81 WeakPolarHBondContact CG2-O 3.47Å; T17-D85 WeakPolarHBondContact CB-OD1 3.23Å; T17-D85 WeakPolarHBondContact CG2-OD1 3.39Å; T17-D85 PolarHBondContact OG1-OD1 2.85Å; T17-I88 VanDerWaalsContact OG1-CD1 3.24Å; T17-I88 WeakPolarHBondContact OG1-CD1 3.42Å
18E90.2Very high85.9Confident163 Ų16359.4 Ų59.476%0.76231%0.307SS*.Hα-helixtrans-61.2-41.8178.3-61.8175.9171.500112.3K16 A22K16-E18 PolarHBondContact O-N 3.26Å; K16-E18 VanDerWaalsContact O-N 3.1Å; E18-A22 VanDerWaalsContact O-CB 3.29Å; E18-A22 WeakPolarHBondContact O-CB 3.2Å; E18-A22 PolarHBondContact O-N 2.84Å
19S90.1Very high85.8Confident62 Ų6259.2 Ų59.243%0.43431%0.309SS..Hα-helixtrans-69.4-43.5178.2-168.40000111K16 T17 L21 A22 Q23K16-S19 WeakPolarHBondContact O-CA 3.32Å; K16-S19 WeakPolarHBondContact O-CB 3.43Å; K16-S19 PolarHBondContact O-N 2.74Å; T17-S19 VanDerWaalsContact C-N 3.34Å; T17-S19 PolarHBondContact O-N 3.49Å; S19-L21 PolarHBondContact O-N 3.11Å; S19-A22 PolarHBondContact O-N 3.26Å; S19-Q23 WeakPolarHBondContact O-CB 3.38Å; S19-Q23 PolarHBondContact O-N 3.12Å
20R90.8Very high85.8Confident2 Ų256 Ų561%0.00830%0.302CS..Hα-helixtrans-60.6-44.4175.3-66-177.166.8-160.50.8111.5W8 T11 N12 D15 K16 T17 Q23 T24 E87W8-R20 HydrophobicContact CE3-CB 4.46Å; W8-R20 HydrophobicContact CH2-CB 3.78Å; W8-R20 HydrophobicContact CZ2-CB 4.28Å; W8-R20 HydrophobicContact CZ3-CB 3.91Å; W8-R20 VanDerWaalsContact NE1-NH2 3.12Å; W8-R20 PolarHBondContact O-NH2 2.99Å; T11-R20 PolarHBondContact OG1-NE 3.47Å; T11-R20 PolarHBondContact OG1-NH2 3.42Å; N12-R20 VanDerWaalsContact O-CD 3.3Å; N12-R20 WeakPolarHBondContact O-CD 3.13Å; N12-R20 PolarHBondContact O-NE 3.15Å; D15-R20 HydrophobicContact CB-CG 3.71Å; D15-R20 WeakPolarHBondContact O-CD 3.39Å; K16-R20 PolarHBondContact O-N 3.05Å; T17-R20 PolarHBondContact O-N 3.45Å; R20-Q23 PolarHBondContact O-N 2.89Å; R20-T24 WeakPolarHBondContact O-CB 3.27Å; R20-T24 PolarHBondContact O-N 3.15Å; R20-T24 PolarHBondContact O-OG1 3.07Å; R20-E87 IonicContact CZ-OE2 3.98Å; R20-E87 IonicContact NH1-OE2 2.87Å; R20-E87 PolarHBondContact NH1-OE2 2.73Å; R20-E87 IonicContact NH2-OE2 3.52Å; R20-E87 PolarHBondContact NH2-OE2 3.03Å
21L91.3Very high85.9Confident29 Ų2951.8 Ų51.815%0.15228%0.284CS..Hα-helixtrans-64.6-44.5177.1-174.963.4000111.3W8 T17 S19 Q23 T24 L25 A77 M80 A81W8-L21 HydrophobicContact CZ3-CB 3.86Å; W8-L21 HydrophobicContact CZ3-CD1 4.13Å; T17-L21 WeakPolarHBondContact O-CB 3.44Å; T17-L21 PolarHBondContact O-N 2.89Å; S19-L21 PolarHBondContact O-N 3.11Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 3.49Å; L21-T24 PolarHBondContact O-N 3.46Å; L21-L25 HydrophobicContact CD1-CD1 4.11Å; L21-L25 HydrophobicContact CD1-CG 4.2Å; L21-L25 HydrophobicContact CD2-CD1 4.45Å; L21-L25 HydrophobicContact CG-CD1 3.95Å; L21-L25 HydrophobicContact CG-CG 4.42Å; L21-L25 WeakPolarHBondContact O-CB 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.29Å; L21-L25 PolarHBondContact O-N 2.89Å; L21-A77 HydrophobicContact CD1-CB 4.39Å; L21-M80 HydrophobicContact CD1-CE 3.64Å; L21-A81 HydrophobicContact CD2-CB 4Å
22A91.9Very high86.1Confident60 Ų6052.1 Ų52.150%0.49629%0.285SS..Hα-helixtrans-60.1-44.1177.900000111.5E18 S19 S26E18-A22 VanDerWaalsContact O-CB 3.29Å; E18-A22 WeakPolarHBondContact O-CB 3.2Å; E18-A22 PolarHBondContact O-N 2.84Å; S19-A22 PolarHBondContact O-N 3.26Å; A22-S26 VanDerWaalsContact O-CB 3.25Å; A22-S26 WeakPolarHBondContact O-CB 3.3Å; A22-S26 PolarHBondContact O-N 3.35Å; A22-S26 PolarHBondContact O-OG 3Å
23Q89.4Confident86.5Confident69 Ų6950.3 Ų50.332%0.32228%0.277SS..Hα-helixtrans-63.7-49.7175.7-174.7173.4-4.400111.3T11 S19 R20 L21 L25 S26 E27T11-Q23 HydrophobicContact CG2-CB 4.16Å; T11-Q23 HydrophobicContact CG2-CG 4.2Å; S19-Q23 WeakPolarHBondContact O-CB 3.38Å; S19-Q23 PolarHBondContact O-N 3.12Å; R20-Q23 PolarHBondContact O-N 2.89Å; L21-Q23 VanDerWaalsContact C-N 3.34Å; L21-Q23 PolarHBondContact O-N 3.49Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 2.87Å; Q23-S26 WeakPolarHBondContact O-CB 3.34Å; Q23-S26 PolarHBondContact O-N 3.14Å; Q23-S26 PolarHBondContact O-OG 3.21Å; Q23-E27 PolarHBondContact NE2-OE1 2.82Å; Q23-E27 PolarHBondContact O-N 3.16Å; Q23-E27 VanDerWaalsContact O-N 3.08Å
24T90Very high86.8Confident0 Ų049.4 Ų49.40%027%0.27CS..Hα-helixtrans-54.3-48.5178.3-59.20000111.9M4 A7 W8 T11 R20 L21 E27 A28 M80M4-T24 HydrophobicContact CG-CG2 3.78Å; M4-T24 VanDerWaalsContact O-CG2 3.31Å; M4-T24 WeakPolarHBondContact O-CG2 3.46Å; A7-T24 HydrophobicContact CB-CG2 3.96Å; W8-T24 WeakPolarHBondContact CA-OG1 3.47Å; W8-T24 HydrophobicContact CB-CG2 4.15Å; W8-T24 HydrophobicContact CE3-CG2 4.49Å; T11-T24 WeakPolarHBondContact CG2-OG1 3.41Å; R20-T24 WeakPolarHBondContact O-CB 3.27Å; R20-T24 PolarHBondContact O-N 3.15Å; R20-T24 PolarHBondContact O-OG1 3.07Å; L21-T24 PolarHBondContact O-N 3.46Å; T24-E27 PolarHBondContact O-N 3.28Å; T24-A28 WeakPolarHBondContact O-CB 3.14Å; T24-A28 PolarHBondContact O-N 2.92Å; T24-M80 HydrophobicContact CG2-CE 4.38Å
25L90.3Very high87.5Confident53 Ų5346.2 Ų46.228%0.27726%0.255SS..Iπ-helixtrans-69.7-33.2178.4-74.3173.4000112.4M4 L21 Q23 E27 G29 A77M4-L25 HydrophobicContact SD-CD2 3.7Å; L21-L25 HydrophobicContact CD1-CD1 4.11Å; L21-L25 HydrophobicContact CD1-CG 4.2Å; L21-L25 HydrophobicContact CD2-CD1 4.45Å; L21-L25 HydrophobicContact CG-CD1 3.95Å; L21-L25 HydrophobicContact CG-CG 4.42Å; L21-L25 WeakPolarHBondContact O-CB 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.29Å; L21-L25 PolarHBondContact O-N 2.89Å; Q23-L25 VanDerWaalsContact C-N 3.34Å; Q23-L25 PolarHBondContact O-N 2.87Å; L25-E27 VanDerWaalsContact C-N 3.27Å; L25-E27 PolarHBondContact O-N 3.47Å; L25-G29 WeakPolarHBondContact O-CA 3.43Å; L25-G29 PolarHBondContact O-N 3.49Å; L25-A77 HydrophobicContact CD1-CB 4.41Å; L25-A77 HydrophobicContact CD2-CB 4.48Å
26S87Confident88Confident68 Ų6844.2 Ų44.248%0.47625%0.245SC..Iπ-helixtrans-65.5-31.8177.278.70000112.7A22 Q23A22-S26 VanDerWaalsContact O-CB 3.25Å; A22-S26 WeakPolarHBondContact O-CB 3.3Å; A22-S26 PolarHBondContact O-N 3.35Å; A22-S26 PolarHBondContact O-OG 3Å; Q23-S26 WeakPolarHBondContact O-CB 3.34Å; Q23-S26 PolarHBondContact O-N 3.14Å; Q23-S26 PolarHBondContact O-OG 3.21Å
27E81.1Confident88Confident83 Ų8342 Ų4239%0.38824%0.235SC..Iπ-helixtrans-91.5-56.4-178.9-67.4176.6-167.300111.9Q23 T24 L25Q23-E27 PolarHBondContact NE2-OE1 2.82Å; Q23-E27 PolarHBondContact O-N 3.16Å; Q23-E27 VanDerWaalsContact O-N 3.08Å; T24-E27 PolarHBondContact O-N 3.28Å; L25-E27 VanDerWaalsContact C-N 3.27Å; L25-E27 PolarHBondContact O-N 3.47Å
28A85.9Confident87.9Confident6 Ų641.7 Ų41.75%0.0523%0.233CC..Iπ-helixtrans-82.4-33.6-17600000113.3I3 M4 A7 T24 V30 A31 I32I3-A28 HydrophobicContact CG2-CB 4.31Å; M4-A28 HydrophobicContact CB-CB 4.49Å; M4-A28 HydrophobicContact CG-CB 4.46Å; A7-A28 HydrophobicContact CB-CB 3.82Å; T24-A28 WeakPolarHBondContact O-CB 3.14Å; T24-A28 PolarHBondContact O-N 2.92Å; A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 2.86Å; A28-A31 PolarHBondContact O-N 3.41Å; A28-I32 HydrophobicContact CB-CD1 4.29Å; A28-I32 WeakPolarHBondContact O-CG1 3.4Å; A28-I32 PolarHBondContact O-N 3.14Å
29G86.5Confident87.9Confident10 Ų1034.2 Ų34.210%0.10320%0.199CC..Iπ-helixtrans-64.7-33.2-173.700000113.3L25 T33L25-G29 WeakPolarHBondContact O-CA 3.43Å; L25-G29 PolarHBondContact O-N 3.49Å; G29-T33 WeakPolarHBondContact O-CB 3.44Å; G29-T33 PolarHBondContact O-N 3.45Å; G29-T33 PolarHBondContact O-OG1 3.31Å
30V83.7Confident87.9Confident49 Ų4932.4 Ų32.430%0.29719%0.185SC..Hα-helixtrans-62.1-53.2173.8177.60000109.9A28 I32 T33 I34A28-V30 VanDerWaalsContact C-N 3.31Å; A28-V30 PolarHBondContact O-N 2.86Å; V30-I32 VanDerWaalsContact C-N 3.34Å; V30-I32 PolarHBondContact O-N 3.17Å; V30-T33 PolarHBondContact O-N 3.31Å; V30-I34 HydrophobicContact CG1-CD1 3.71Å; V30-I34 HydrophobicContact CG1-CG1 4.41Å; V30-I34 WeakPolarHBondContact O-CB 3.49Å; V30-I34 WeakPolarHBondContact O-CG1 3.43Å; V30-I34 PolarHBondContact O-N 3.01Å
31A84.2Confident87.8Confident7 Ų733.9 Ų33.96%0.05819%0.194CC..Hα-helixtrans-63.1-38.7-178.200000112.6A28 I34 T35 Y490A28-A31 PolarHBondContact O-N 3.41Å; A31-I34 WeakPolarHBondContact O-CB 3.32Å; A31-I34 PolarHBondContact O-N 3.04Å; A31-T35 PolarHBondContact O-N 3.37Å; A31-T35 VanDerWaalsContact O-N 3.09Å; A31-T35 PolarHBondContact O-OG1 2.88Å; A31-Y490 HydrophobicContact CB-CD1 4.23Å
32I87Confident87.5Confident10 Ų1032.6 Ų32.65%0.05119%0.187CC..Hα-helixtrans-67.1-40.6177.1-66.3165.2000111.7M4 A28 V30 I34 T35 S36 Y69M4-I32 HydrophobicContact CB-CD1 4Å; A28-I32 HydrophobicContact CB-CD1 4.29Å; A28-I32 WeakPolarHBondContact O-CG1 3.4Å; A28-I32 PolarHBondContact O-N 3.14Å; V30-I32 VanDerWaalsContact C-N 3.34Å; V30-I32 PolarHBondContact O-N 3.17Å; I32-I34 VanDerWaalsContact C-N 3.3Å; I32-I34 PolarHBondContact O-N 2.93Å; I32-T35 PolarHBondContact O-N 3.35Å; I32-T35 PolarHBondContact O-OG1 2.75Å; I32-S36 VanDerWaalsContact O-CB 3.29Å; I32-S36 WeakPolarHBondContact O-CB 3.29Å; I32-S36 PolarHBondContact O-N 3.17Å; I32-S36 PolarHBondContact O-OG 3.01Å; I32-Y69 HydrophobicContact CG2-CD2 4.43Å
33T89.5Confident87.4Confident41 Ų4130.2 Ų30.225%0.25217%0.166SC..Hα-helixtrans-63.4-42.7177.2-59.70000111G29 V30 F37 Y69G29-T33 WeakPolarHBondContact O-CB 3.44Å; G29-T33 PolarHBondContact O-N 3.45Å; G29-T33 PolarHBondContact O-OG1 3.31Å; V30-T33 PolarHBondContact O-N 3.31Å; T33-F37 VanDerWaalsContact O-CB 3.24Å; T33-F37 WeakPolarHBondContact O-CB 3.26Å; T33-F37 PolarHBondContact O-N 3.13Å; T33-Y69 HydrophobicContact CG2-CE2 4.15Å; T33-Y69 WeakPolarHBondContact CG2-OH 3.46Å; T33-Y69 WeakPolarHBondContact OG1-CE2 3.21Å; T33-Y69 PolarHBondContact OG1-OH 3.22Å
34I83.4Confident87.4Confident25 Ų2531.4 Ų31.413%0.12817%0.174CC..Hα-helixtrans-56-54.2176.4-76.8179.1000110.5V30 A31 I32 F37 T38 M434V30-I34 HydrophobicContact CG1-CD1 3.71Å; V30-I34 HydrophobicContact CG1-CG1 4.41Å; V30-I34 WeakPolarHBondContact O-CB 3.49Å; V30-I34 WeakPolarHBondContact O-CG1 3.43Å; V30-I34 PolarHBondContact O-N 3.01Å; A31-I34 WeakPolarHBondContact O-CB 3.32Å; A31-I34 PolarHBondContact O-N 3.04Å; I32-I34 VanDerWaalsContact C-N 3.3Å; I32-I34 PolarHBondContact O-N 2.93Å; I34-F37 PolarHBondContact O-N 3.03Å; I34-T38 PolarHBondContact O-N 3.32Å; I34-T38 VanDerWaalsContact O-N 3.09Å; I34-T38 PolarHBondContact O-OG1 2.71Å; I34-M434 WeakPolarHBondContact CA-SD 3.37Å; I34-M434 HydrophobicContact CB-CE 3.95Å; I34-M434 HydrophobicContact CB-CG 4.04Å; I34-M434 HydrophobicContact CB-SD 3.37Å; I34-M434 WeakPolarHBondContact CB-SD 3.15Å; I34-M434 HydrophobicContact CD1-CG 3.61Å; I34-M434 HydrophobicContact CD1-SD 4.18Å; I34-M434 HydrophobicContact CG1-CE 4.36Å; I34-M434 HydrophobicContact CG1-CG 3.38Å; I34-M434 HydrophobicContact CG1-SD 3.35Å; I34-M434 WeakPolarHBondContact CG1-SD 3.43Å; I34-M434 HydrophobicContact CG2-CE 3.09Å; I34-M434 HydrophobicContact CG2-CG 3.97Å; I34-M434 HydrophobicContact CG2-SD 3.27Å; I34-M434 WeakPolarHBondContact CG2-SD 3.32Å
35T87.7Confident87.3Confident6 Ų632.8 Ų32.84%0.03718%0.183CC..Hα-helixtrans-68.7-42.1-177.5530000112.5A31 I32 F37 T38 D39 A486A31-T35 PolarHBondContact O-N 3.37Å; A31-T35 VanDerWaalsContact O-N 3.09Å; A31-T35 PolarHBondContact O-OG1 2.88Å; I32-T35 PolarHBondContact O-N 3.35Å; I32-T35 PolarHBondContact O-OG1 2.75Å; T35-F37 VanDerWaalsContact C-N 3.32Å; T35-F37 PolarHBondContact O-N 3.43Å; T35-T38 VanDerWaalsContact CA-OG1 3.28Å; T35-T38 WeakPolarHBondContact CA-OG1 3.21Å; T35-T38 PolarHBondContact O-N 2.96Å; T35-T38 PolarHBondContact O-OG1 3.19Å; T35-D39 PolarHBondContact O-N 3.37Å; T35-A486 HydrophobicContact CG2-CB 4.22Å
36S90.5Very high87Confident11 Ų1130.3 Ų30.38%0.07717%0.17CC..Hα-helixtrans-61-41.7177.5-56.40000111.9I32 D39 V40 Y69I32-S36 VanDerWaalsContact O-CB 3.29Å; I32-S36 WeakPolarHBondContact O-CB 3.29Å; I32-S36 PolarHBondContact O-N 3.17Å; I32-S36 PolarHBondContact O-OG 3.01Å; S36-D39 PolarHBondContact O-N 3.06Å; S36-V40 VanDerWaalsContact O-CG2 3.29Å; S36-V40 WeakPolarHBondContact O-CG2 3.38Å; S36-V40 PolarHBondContact O-N 3.18Å; S36-Y69 WeakPolarHBondContact OG-CD2 3.34Å
37F88.3Confident87.1Confident119 Ų11928.1 Ų28.152%0.52216%0.155SC..Hα-helixtrans-66.4-43.6177.1-177-104000111.9T33 I34 T35 D39 V40 V41 I430T33-F37 VanDerWaalsContact O-CB 3.24Å; T33-F37 WeakPolarHBondContact O-CB 3.26Å; T33-F37 PolarHBondContact O-N 3.13Å; I34-F37 PolarHBondContact O-N 3.03Å; T35-F37 VanDerWaalsContact C-N 3.32Å; T35-F37 PolarHBondContact O-N 3.43Å; F37-D39 VanDerWaalsContact C-N 3.31Å; F37-D39 PolarHBondContact O-N 2.74Å; F37-V40 PolarHBondContact O-N 3.47Å; F37-V41 HydrophobicContact CD1-CG2 4.43Å; F37-V41 HydrophobicContact CE1-CG2 4.03Å; F37-V41 HydrophobicContact CE2-CG2 4.17Å; F37-V41 HydrophobicContact CZ-CG2 3.89Å; F37-V41 WeakPolarHBondContact O-CG2 3.38Å; F37-V41 PolarHBondContact O-N 2.8Å; F37-I430 HydrophobicContact CD1-CG2 4.19Å; F37-I430 HydrophobicContact CE1-CG2 4.37Å
38T87.4Confident87.2Confident2 Ų233.9 Ų33.91%0.01217%0.174CC..Hα-helixtrans-60.2-41.717544.10000112.1I34 T35 V41 S42 M427 I430 M434 V482I34-T38 PolarHBondContact O-N 3.32Å; I34-T38 VanDerWaalsContact O-N 3.09Å; I34-T38 PolarHBondContact O-OG1 2.71Å; T35-T38 VanDerWaalsContact CA-OG1 3.28Å; T35-T38 WeakPolarHBondContact CA-OG1 3.21Å; T35-T38 PolarHBondContact O-N 2.96Å; T35-T38 PolarHBondContact O-OG1 3.19Å; T38-V41 PolarHBondContact O-N 3.04Å; T38-S42 WeakPolarHBondContact O-CB 3.35Å; T38-S42 PolarHBondContact O-N 3.22Å; T38-M427 HydrophobicContact CG2-SD 4.18Å; T38-M427 VanDerWaalsContact O-CE 3.28Å; T38-M427 WeakPolarHBondContact O-CE 3.34Å; T38-I430 HydrophobicContact CG2-CB 4.06Å; T38-I430 HydrophobicContact CG2-CD1 4.4Å; T38-I430 HydrophobicContact CG2-CG2 3.35Å; T38-M434 HydrophobicContact CG2-CE 3.66Å; T38-M434 HydrophobicContact CG2-SD 4.47Å; T38-V482 HydrophobicContact CG2-CG1 4.39Å
39D88.8Confident87Confident7 Ų734.1 Ų34.14%0.03718%0.175CC..Hα-helixtrans-66.2-46-179.5-74.6-14.2000111.5T35 S36 F37 V41 S42 F43 M65 G479T35-D39 PolarHBondContact O-N 3.37Å; S36-D39 PolarHBondContact O-N 3.06Å; F37-D39 VanDerWaalsContact C-N 3.31Å; F37-D39 PolarHBondContact O-N 2.74Å; D39-V41 VanDerWaalsContact C-N 3.34Å; D39-V41 PolarHBondContact O-N 3.31Å; D39-S42 WeakPolarHBondContact O-CB 3.5Å; D39-S42 PolarHBondContact O-N 2.96Å; D39-F43 WeakPolarHBondContact O-CD2 3.4Å; D39-F43 PolarHBondContact O-N 2.9Å; D39-M65 HydrophobicContact CB-CE 3.99Å; D39-M65 WeakPolarHBondContact OD2-CE 3.5Å; D39-G479 WeakPolarHBondContact OD1-CA 3.37Å
40V91.5Very high86.8Confident23 Ų2337.2 Ų37.214%0.13920%0.195CC..Hα-helixtrans-57.7-47.5176.2171.30000110.6S36 F37 S42 F43 L44 M65 F66S36-V40 VanDerWaalsContact O-CG2 3.29Å; S36-V40 WeakPolarHBondContact O-CG2 3.38Å; S36-V40 PolarHBondContact O-N 3.18Å; F37-V40 PolarHBondContact O-N 3.47Å; V40-S42 PolarHBondContact O-N 3.27Å; V40-F43 PolarHBondContact O-N 2.68Å; V40-L44 HydrophobicContact CG1-CD1 3.93Å; V40-L44 HydrophobicContact CG1-CG 4.41Å; V40-L44 WeakPolarHBondContact O-CB 3.33Å; V40-L44 VanDerWaalsContact O-CG 3.25Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 2.87Å; V40-M65 HydrophobicContact CG2-CB 4Å; V40-F66 HydrophobicContact CG2-CB 4.15Å
41V88.4Confident86.8Confident34 Ų3436 Ų3621%0.20619%0.186CC..Hα-helixtrans-64.9-40.9178.3177.30000111.4F37 T38 D39 F43 L44 V45 M427 I430F37-V41 HydrophobicContact CD1-CG2 4.43Å; F37-V41 HydrophobicContact CE1-CG2 4.03Å; F37-V41 HydrophobicContact CE2-CG2 4.17Å; F37-V41 HydrophobicContact CZ-CG2 3.89Å; F37-V41 WeakPolarHBondContact O-CG2 3.38Å; F37-V41 PolarHBondContact O-N 2.8Å; T38-V41 PolarHBondContact O-N 3.04Å; D39-V41 VanDerWaalsContact C-N 3.34Å; D39-V41 PolarHBondContact O-N 3.31Å; V41-F43 PolarHBondContact O-N 3.07Å; V41-L44 PolarHBondContact O-N 2.85Å; V41-V45 HydrophobicContact CG1-CG2 4.35Å; V41-V45 WeakPolarHBondContact O-CG2 3.29Å; V41-V45 PolarHBondContact O-N 2.97Å; V41-M427 HydrophobicContact CB-CE 4.37Å; V41-M427 HydrophobicContact CG1-CE 4.35Å; V41-I430 HydrophobicContact CB-CD1 3.76Å; V41-I430 HydrophobicContact CG1-CD1 3.66Å; V41-I430 HydrophobicContact CG2-CD1 4.14Å
42S85.9Confident87.1Confident1 Ų140.3 Ų40.31%0.00721%0.213CC..Hα-helixtrans-59.3-46.3177.8-170.20000111.9T38 D39 V40 V45 G46 S423T38-S42 WeakPolarHBondContact O-CB 3.35Å; T38-S42 PolarHBondContact O-N 3.22Å; D39-S42 WeakPolarHBondContact O-CB 3.5Å; D39-S42 PolarHBondContact O-N 2.96Å; V40-S42 PolarHBondContact O-N 3.27Å; S42-V45 PolarHBondContact O-N 2.88Å; S42-G46 PolarHBondContact O-N 2.75Å; S42-S423 PolarHBondContact OG-OG 3.12Å
43F88.9Confident87Confident10 Ų1044.4 Ų44.44%0.04424%0.243CC..Hα-helixtrans-69-37177.2-76.6-66.6000112.4D39 V40 V41 V45 G46 A47 F57 C58 T61 A62 M65 M476D39-F43 WeakPolarHBondContact O-CD2 3.4Å; D39-F43 PolarHBondContact O-N 2.9Å; V40-F43 PolarHBondContact O-N 2.68Å; V41-F43 PolarHBondContact O-N 3.07Å; F43-V45 VanDerWaalsContact C-N 3.33Å; F43-V45 PolarHBondContact O-N 2.97Å; F43-G46 CarbonylContact O-C 3.56Å; F43-G46 WeakPolarHBondContact O-CA 3.11Å; F43-G46 PolarHBondContact O-N 3.14Å; F43-G46 VanDerWaalsContact O-N 3.11Å; F43-A47 PolarHBondContact O-N 3.49Å; F43-F57 HydrophobicContact CE1-CE1 4.32Å; F43-C58 WeakPolarHBondContact O-CB 3.39Å; F43-T61 HydrophobicContact CD1-CG2 3.95Å; F43-T61 HydrophobicContact CD2-CG2 3.77Å; F43-T61 HydrophobicContact CE1-CG2 3.71Å; F43-T61 HydrophobicContact CE2-CG2 3.53Å; F43-T61 HydrophobicContact CG-CG2 3.99Å; F43-T61 HydrophobicContact CZ-CG2 3.5Å; F43-T61 VanDerWaalsContact CZ-CG2 3.5Å; F43-A62 HydrophobicContact CB-CB 3.88Å; F43-M65 HydrophobicContact CE2-CG 4.5Å; F43-M476 HydrophobicContact CE1-CB 4.23Å; F43-M476 HydrophobicContact CZ-CB 4.19Å; F43-M476 HydrophobicContact CZ-CG 4.02Å
44L90.2Very high86.9Confident95 Ų9542.5 Ų42.550%0.49723%0.231SC..Hα-helixtrans-63.8-37.5173.7-71.7174.7000112.3V40 V41 G46 A47 A62V40-L44 HydrophobicContact CG1-CD1 3.93Å; V40-L44 HydrophobicContact CG1-CG 4.41Å; V40-L44 WeakPolarHBondContact O-CB 3.33Å; V40-L44 VanDerWaalsContact O-CG 3.25Å; V40-L44 WeakPolarHBondContact O-CG 3.46Å; V40-L44 PolarHBondContact O-N 2.87Å; V41-L44 PolarHBondContact O-N 2.85Å; L44-G46 VanDerWaalsContact C-N 3.33Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 3.12Å; L44-A62 HydrophobicContact CD2-CB 3.99Å; L44-A62 HydrophobicContact CG-CB 4.07Å
45V87Confident87.3Confident29 Ų2943 Ų4318%0.17624%0.235CC..Hα-helixtrans-64.1-41170.8169.20000110.7V41 S42 F43 A47 W48 V422V41-V45 HydrophobicContact CG1-CG2 4.35Å; V41-V45 WeakPolarHBondContact O-CG2 3.29Å; V41-V45 PolarHBondContact O-N 2.97Å; S42-V45 PolarHBondContact O-N 2.88Å; F43-V45 VanDerWaalsContact C-N 3.33Å; F43-V45 PolarHBondContact O-N 2.97Å; V45-A47 PolarHBondContact O-N 2.83Å; V45-W48 WeakPolarHBondContact O-CB 3.34Å; V45-W48 PolarHBondContact O-N 3.45Å; V45-V422 HydrophobicContact CG1-CB 4.02Å; V45-V422 HydrophobicContact CG1-CG1 3.53Å
46G84.1Confident87.6Confident1 Ų145.4 Ų45.41%0.0125%0.253CS..Hα-helixtrans-61.2-26.6173.800000114.1S42 F43 L44 W48 S49 C58S42-G46 PolarHBondContact O-N 2.75Å; F43-G46 CarbonylContact O-C 3.56Å; F43-G46 WeakPolarHBondContact O-CA 3.11Å; F43-G46 PolarHBondContact O-N 3.14Å; F43-G46 VanDerWaalsContact O-N 3.11Å; L44-G46 VanDerWaalsContact C-N 3.33Å; G46-W48 PolarHBondContact O-N 2.88Å; G46-S49 WeakPolarHBondContact O-CB 3.24Å; G46-S49 PolarHBondContact O-N 3.3Å; G46-C58 VanDerWaalsContact C-SG 3.58Å
47A88.3Confident87.6Confident21 Ų2148 Ų4817%0.17426%0.263CS..THydrogen-bonded Turntrans-69.1-11.7174.600000113.3F43 L44 V45 S49 V55 C58 I59F43-A47 PolarHBondContact O-N 3.49Å; L44-A47 WeakPolarHBondContact O-CB 3.42Å; L44-A47 PolarHBondContact O-N 3.12Å; V45-A47 PolarHBondContact O-N 2.83Å; A47-S49 PolarHBondContact O-N 2.95Å; A47-S49 VanDerWaalsContact O-N 3.14Å; A47-V55 HydrophobicContact CB-CG1 4.45Å; A47-V55 VanDerWaalsContact O-CG2 3.28Å; A47-V55 WeakPolarHBondContact O-CG2 3.14Å; A47-C58 HydrophobicContact CB-CB 3.99Å; A47-I59 HydrophobicContact CB-CG1 3.87Å
48W85Confident87.8Confident204 Ų20442.5 Ų42.577%0.77324%0.238SC*.THydrogen-bonded Turntrans-83.332.6170.5-160.8-9.6000112.9V45 G46 R418V45-W48 WeakPolarHBondContact O-CB 3.34Å; V45-W48 PolarHBondContact O-N 3.45Å; G46-W48 PolarHBondContact O-N 2.88Å; W48-R418 PolarHBondContact O-NH2 2.93Å
49S81.7Confident88.1Confident12 Ų1246.5 Ų46.58%0.08426%0.259CS..  trans-87.6152.8175.5-166.90000111.7G46 A47 F51 V55 N419G46-S49 WeakPolarHBondContact O-CB 3.24Å; G46-S49 PolarHBondContact O-N 3.3Å; A47-S49 PolarHBondContact O-N 2.95Å; A47-S49 VanDerWaalsContact O-N 3.14Å; S49-F51 PolarHBondContact O-N 3.1Å; S49-V55 WeakPolarHBondContact O-CG2 3.31Å; S49-N419 WeakPolarHBondContact CB-ND2 3.35Å; S49-N419 PolarHBondContact OG-ND2 3.36Å
50S81Confident88.4Confident74 Ų7454.2 Ų54.252%0.51729%0.289SS..SBendtrans-74.1-13.5176.2-49.10000112.8P52 R418S50-P52 WeakPolarHBondContact O-CD 3.23Å; S50-R418 PolarHBondContact OG-NH2 2.86Å
51F84.7Confident88.5Confident25 Ų2554.5 Ų54.511%0.1129%0.291CS..  trans-97114.2-174.4-66.9-70.9000111.8S49 S53 V54 V55 Q408 S411 V412 T415 M471S49-F51 PolarHBondContact O-N 3.1Å; F51-S53 VanDerWaalsContact C-N 3.25Å; F51-S53 PolarHBondContact O-N 3Å; F51-S53 VanDerWaalsContact O-N 3.14Å; F51-V54 HydrophobicContact CB-CB 4.05Å; F51-V54 HydrophobicContact CB-CG2 3.76Å; F51-V54 WeakPolarHBondContact O-CB 3.42Å; F51-V54 PolarHBondContact O-N 2.92Å; F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.48Å; F51-Q408 HydrophobicContact CE1-CB 4.4Å; F51-Q408 HydrophobicContact CE1-CG 3.78Å; F51-Q408 HydrophobicContact CZ-CG 4.29Å; F51-S411 WeakPolarHBondContact CZ-OG 3.28Å; F51-V412 HydrophobicContact CE2-CG2 4.11Å; F51-V412 HydrophobicContact CZ-CG2 3.7Å; F51-T415 HydrophobicContact CD2-CG2 4.3Å; F51-T415 HydrophobicContact CE2-CG2 4.25Å; F51-M471 HydrophobicContact CD2-CE 3.77Å; F51-M471 HydrophobicContact CD2-SD 4.44Å; F51-M471 HydrophobicContact CE2-CE 4.41Å
52P89.1Confident88.7Confident97 Ų9753.1 Ų53.163%0.6328%0.283SS*.Hα-helixtrans-55.8-35.2-177-2835.5000114.6S50 V54 V55 S56S50-P52 WeakPolarHBondContact O-CD 3.23Å; P52-V54 VanDerWaalsContact C-N 3.32Å; P52-V54 PolarHBondContact O-N 3.5Å; P52-V55 PolarHBondContact O-N 3.33Å; P52-S56 WeakPolarHBondContact O-CB 3.5Å; P52-S56 PolarHBondContact O-N 2.89Å; P52-S56 PolarHBondContact O-OG 3.42Å
53S86.6Confident89.2Confident96 Ų9657.7 Ų57.767%0.67131%0.306SS*.Hα-helixtrans-64.3-37.7176.6-48.60000112.3F51 F57F51-S53 VanDerWaalsContact C-N 3.25Å; F51-S53 PolarHBondContact O-N 3Å; F51-S53 VanDerWaalsContact O-N 3.14Å; S53-F57 WeakPolarHBondContact O-CB 3.29Å; S53-F57 PolarHBondContact O-N 2.9Å; S53-F57 VanDerWaalsContact O-N 3.08Å
54V86.5Confident89.5Confident1 Ų159.9 Ų59.91%0.00633%0.326CS..Hα-helixtrans-74.3-42.9178.9175.20000109.7F51 P52 S56 F57 C58 M471 I472F51-V54 HydrophobicContact CB-CB 4.05Å; F51-V54 HydrophobicContact CB-CG2 3.76Å; F51-V54 WeakPolarHBondContact O-CB 3.42Å; F51-V54 PolarHBondContact O-N 2.92Å; P52-V54 VanDerWaalsContact C-N 3.32Å; P52-V54 PolarHBondContact O-N 3.5Å; V54-S56 VanDerWaalsContact C-N 3.35Å; V54-S56 PolarHBondContact O-N 3.46Å; V54-F57 PolarHBondContact O-N 3.29Å; V54-C58 WeakPolarHBondContact O-CB 3.39Å; V54-C58 PolarHBondContact O-N 3.47Å; V54-C58 PolarHBondContact O-SG 3.06Å; V54-C58 VanDerWaalsContact O-SG 3.35Å; V54-M471 HydrophobicContact CB-CE 3.89Å; V54-M471 HydrophobicContact CG1-CE 3.68Å; V54-M471 HydrophobicContact CG2-CE 3.18Å; V54-I472 HydrophobicContact CB-CD1 4.46Å; V54-I472 HydrophobicContact CB-CG1 4.28Å; V54-I472 HydrophobicContact CG1-CG1 4.03Å; V54-I472 HydrophobicContact CG2-CD1 3.87Å; V54-I472 HydrophobicContact CG2-CG1 3.8Å
55V91.9Very high89.6Confident35 Ų3557.4 Ų57.421%0.21231%0.313CS..Hα-helixtrans-57-49.6175177.90000110.8A47 S49 F51 P52 F57 C58 I59A47-V55 HydrophobicContact CB-CG1 4.45Å; A47-V55 VanDerWaalsContact O-CG2 3.28Å; A47-V55 WeakPolarHBondContact O-CG2 3.14Å; S49-V55 WeakPolarHBondContact O-CG2 3.31Å; F51-V55 WeakPolarHBondContact O-CG2 3.45Å; F51-V55 PolarHBondContact O-N 3.48Å; P52-V55 PolarHBondContact O-N 3.33Å; V55-F57 PolarHBondContact O-N 2.89Å; V55-C58 PolarHBondContact O-N 2.74Å; V55-I59 HydrophobicContact CG1-CD1 3.73Å; V55-I59 HydrophobicContact CG1-CG1 4.46Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.24Å; V55-I59 PolarHBondContact O-N 3.18Å
56S93.1Very high89.9Confident57 Ų5761 Ų6140%0.39933%0.326SS..Hα-helixtrans-59.5-49.8178.6-57.20000111P52 V54 C58 I59 Y60P52-S56 WeakPolarHBondContact O-CB 3.5Å; P52-S56 PolarHBondContact O-N 2.89Å; P52-S56 PolarHBondContact O-OG 3.42Å; V54-S56 VanDerWaalsContact C-N 3.35Å; V54-S56 PolarHBondContact O-N 3.46Å; S56-C58 PolarHBondContact O-N 2.93Å; S56-I59 PolarHBondContact O-N 3.03Å; S56-Y60 WeakPolarHBondContact O-CD2 3.25Å; S56-Y60 PolarHBondContact O-N 2.71Å
57F91.9Very high90.5Very high66 Ų6665.8 Ų65.829%0.28935%0.35SS..Hα-helixtrans-54.7-52.1177.5179.9-89000111.5F43 S53 V54 V55 I59 Y60 T61 I472F43-F57 HydrophobicContact CE1-CE1 4.32Å; S53-F57 WeakPolarHBondContact O-CB 3.29Å; S53-F57 PolarHBondContact O-N 2.9Å; S53-F57 VanDerWaalsContact O-N 3.08Å; V54-F57 PolarHBondContact O-N 3.29Å; V55-F57 PolarHBondContact O-N 2.89Å; F57-I59 PolarHBondContact O-N 3.09Å; F57-Y60 PolarHBondContact O-N 2.94Å; F57-T61 WeakPolarHBondContact O-CB 3.49Å; F57-T61 PolarHBondContact O-N 2.64Å; F57-T61 PolarHBondContact O-OG1 3.27Å; F57-I472 HydrophobicContact CB-CD1 4.3Å; F57-I472 HydrophobicContact CD1-CD1 4.47Å; F57-I472 HydrophobicContact CD1-CG1 4.47Å; F57-I472 HydrophobicContact CD1-CG2 3.41Å; F57-I472 VanDerWaalsContact CD1-CG2 3.41Å; F57-I472 HydrophobicContact CE1-CG2 3.21Å; F57-I472 HydrophobicContact CE2-CG2 4.34Å; F57-I472 HydrophobicContact CG-CD1 4.27Å; F57-I472 HydrophobicContact CG-CG2 4.08Å; F57-I472 HydrophobicContact CZ-CG2 3.72Å
58C91.6Very high90.8Very high2 Ų267.7 Ų67.71%0.01436%0.357CS..Hα-helixtrans-60.4-40.7-179.2-75.70000113.2F43 G46 A47 V54 V55 S56 A62F43-C58 WeakPolarHBondContact O-CB 3.39Å; G46-C58 VanDerWaalsContact C-SG 3.58Å; A47-C58 HydrophobicContact CB-CB 3.99Å; V54-C58 WeakPolarHBondContact O-CB 3.39Å; V54-C58 PolarHBondContact O-N 3.47Å; V54-C58 PolarHBondContact O-SG 3.06Å; V54-C58 VanDerWaalsContact O-SG 3.35Å; V55-C58 PolarHBondContact O-N 2.74Å; S56-C58 PolarHBondContact O-N 2.93Å; C58-A62 VanDerWaalsContact O-CB 3.29Å; C58-A62 WeakPolarHBondContact O-CB 3.43Å; C58-A62 PolarHBondContact O-N 3.39Å
59I93.8Very high91.2Very high87 Ų8760.2 Ų60.245%0.44633%0.329SS..Hα-helixtrans-65.9-47.6177-68.2169.3000110.9A47 V55 S56 F57 T61 A62 L63A47-I59 HydrophobicContact CB-CG1 3.87Å; V55-I59 HydrophobicContact CG1-CD1 3.73Å; V55-I59 HydrophobicContact CG1-CG1 4.46Å; V55-I59 VanDerWaalsContact O-CG1 3.31Å; V55-I59 WeakPolarHBondContact O-CG1 3.24Å; V55-I59 PolarHBondContact O-N 3.18Å; S56-I59 PolarHBondContact O-N 3.03Å; F57-I59 PolarHBondContact O-N 3.09Å; I59-T61 VanDerWaalsContact C-N 3.34Å; I59-T61 PolarHBondContact O-N 3.42Å; I59-A62 PolarHBondContact O-N 3.08Å; I59-L63 PolarHBondContact O-N 3.42Å
60Y95.1Very high91.8Very high169 Ų16962 Ų6266%0.66334%0.34SS*.Hα-helixtrans-62.1-42.1178.3-75.4-64000111.5S56 F57 L63 A64S56-Y60 WeakPolarHBondContact O-CD2 3.25Å; S56-Y60 PolarHBondContact O-N 2.71Å; F57-Y60 PolarHBondContact O-N 2.94Å; Y60-L63 PolarHBondContact O-N 2.91Å; Y60-A64 VanDerWaalsContact O-CB 3.29Å; Y60-A64 WeakPolarHBondContact O-CB 3.33Å; Y60-A64 PolarHBondContact O-N 3.01Å
61T92.9Very high92.5Very high29 Ų2961.5 Ų61.518%0.17834%0.335CS..Hα-helixtrans-66.4-43.1176.8-54.40000111.7F43 F57 I59 L63 A64 M65F43-T61 HydrophobicContact CD1-CG2 3.95Å; F43-T61 HydrophobicContact CD2-CG2 3.77Å; F43-T61 HydrophobicContact CE1-CG2 3.71Å; F43-T61 HydrophobicContact CE2-CG2 3.53Å; F43-T61 HydrophobicContact CG-CG2 3.99Å; F43-T61 HydrophobicContact CZ-CG2 3.5Å; F43-T61 VanDerWaalsContact CZ-CG2 3.5Å; F57-T61 WeakPolarHBondContact O-CB 3.49Å; F57-T61 PolarHBondContact O-N 2.64Å; F57-T61 PolarHBondContact O-OG1 3.27Å; I59-T61 VanDerWaalsContact C-N 3.34Å; I59-T61 PolarHBondContact O-N 3.42Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.03Å; T61-A64 PolarHBondContact O-N 2.9Å; T61-M65 HydrophobicContact CG2-CG 4.19Å; T61-M65 WeakPolarHBondContact O-CB 3.3Å; T61-M65 VanDerWaalsContact O-CG 3.24Å; T61-M65 WeakPolarHBondContact O-CG 3.48Å; T61-M65 PolarHBondContact O-N 3.26Å
62A93.4Very high92.9Very high5 Ų561.4 Ų61.44%0.04134%0.335CS..Hα-helixtrans-59.8-43.7176.500000112F43 L44 C58 I59 M65 F66F43-A62 HydrophobicContact CB-CB 3.88Å; L44-A62 HydrophobicContact CD2-CB 3.99Å; L44-A62 HydrophobicContact CG-CB 4.07Å; C58-A62 VanDerWaalsContact O-CB 3.29Å; C58-A62 WeakPolarHBondContact O-CB 3.43Å; C58-A62 PolarHBondContact O-N 3.39Å; I59-A62 PolarHBondContact O-N 3.08Å; A62-M65 PolarHBondContact O-N 3.31Å; A62-F66 WeakPolarHBondContact O-CB 3.17Å; A62-F66 PolarHBondContact O-N 2.98Å
63L95.5Very high93Very high96 Ų9659.7 Ų59.750%0.50332%0.32SS..Hα-helixtrans-65.3-43.3176-179.961.7000111.7I59 Y60 T61 F66 M67I59-L63 PolarHBondContact O-N 3.42Å; Y60-L63 PolarHBondContact O-N 2.91Å; T61-L63 VanDerWaalsContact C-N 3.34Å; T61-L63 PolarHBondContact O-N 3.03Å; L63-F66 PolarHBondContact O-N 3.14Å; L63-M67 HydrophobicContact CD1-CE 4.05Å; L63-M67 HydrophobicContact CD1-CG 4.33Å; L63-M67 WeakPolarHBondContact O-CG 3.49Å; L63-M67 PolarHBondContact O-N 3.42Å
64A95.5Very high93.3Very high56 Ų5658.9 Ų58.946%0.46331%0.311SS..Hα-helixtrans-61.6-43.9177.500000111.7Y60 T61 M67 D68Y60-A64 VanDerWaalsContact O-CB 3.29Å; Y60-A64 WeakPolarHBondContact O-CB 3.33Å; Y60-A64 PolarHBondContact O-N 3.01Å; T61-A64 PolarHBondContact O-N 2.9Å; A64-M67 PolarHBondContact O-N 3.44Å; A64-D68 VanDerWaalsContact O-CB 3.27Å; A64-D68 WeakPolarHBondContact O-CB 3.34Å; A64-D68 PolarHBondContact O-N 3.08Å
65M92.9Very high93.7Very high44 Ų4465.8 Ų65.822%0.21734%0.341CS..Hα-helixtrans-65.9-38.8177.4-67.8-60.2-68.900112.3D39 V40 F43 T61 A62 D68 Y69D39-M65 HydrophobicContact CB-CE 3.99Å; D39-M65 WeakPolarHBondContact OD2-CE 3.5Å; V40-M65 HydrophobicContact CG2-CB 4Å; F43-M65 HydrophobicContact CE2-CG 4.5Å; T61-M65 HydrophobicContact CG2-CG 4.19Å; T61-M65 WeakPolarHBondContact O-CB 3.3Å; T61-M65 VanDerWaalsContact O-CG 3.24Å; T61-M65 WeakPolarHBondContact O-CG 3.48Å; T61-M65 PolarHBondContact O-N 3.26Å; A62-M65 PolarHBondContact O-N 3.31Å; M65-D68 PolarHBondContact O-N 3.2Å; M65-Y69 WeakPolarHBondContact O-CB 3.26Å; M65-Y69 PolarHBondContact O-N 3.04Å
66F94.2Very high93.7Very high104 Ų10465.9 Ų65.946%0.45634%0.339SS..Hα-helixtrans-63.7-45.5174.3177-100.2000111.8V40 A62 L63 Y69 V70V40-F66 HydrophobicContact CG2-CB 4.15Å; A62-F66 WeakPolarHBondContact O-CB 3.17Å; A62-F66 PolarHBondContact O-N 2.98Å; L63-F66 PolarHBondContact O-N 3.14Å; F66-Y69 WeakPolarHBondContact O-CB 3.3Å; F66-Y69 PolarHBondContact O-N 3.37Å; F66-V70 HydrophobicContact CE1-CG2 4.13Å; F66-V70 HydrophobicContact CZ-CG2 4.1Å; F66-V70 WeakPolarHBondContact O-CG2 3.18Å; F66-V70 PolarHBondContact O-N 2.97Å; F66-V70 VanDerWaalsContact O-N 3.08Å
67M95.6Very high93.7Very high101 Ų10163.4 Ų63.450%0.49832%0.322SS..Hα-helixtrans-66.4-39176.9-70.3-63.2173.500112L63 A64 V70 C71L63-M67 HydrophobicContact CD1-CE 4.05Å; L63-M67 HydrophobicContact CD1-CG 4.33Å; L63-M67 WeakPolarHBondContact O-CG 3.49Å; L63-M67 PolarHBondContact O-N 3.42Å; A64-M67 PolarHBondContact O-N 3.44Å; M67-V70 PolarHBondContact O-N 2.78Å; M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 3.41Å; M67-C71 PolarHBondContact O-SG 3.07Å; M67-C71 VanDerWaalsContact O-SG 3.37Å
68D94.3Very high93.7Very high62 Ų6263.2 Ų63.233%0.33233%0.332SS..Hα-helixtrans-60.1-45.4173.9-178.443000111A64 M65 V70 C71 Q72A64-D68 VanDerWaalsContact O-CB 3.27Å; A64-D68 WeakPolarHBondContact O-CB 3.34Å; A64-D68 PolarHBondContact O-N 3.08Å; M65-D68 PolarHBondContact O-N 3.2Å; D68-V70 PolarHBondContact O-N 3.5Å; D68-C71 PolarHBondContact O-N 3.38Å; D68-Q72 WeakPolarHBondContact O-CB 3.4Å; D68-Q72 VanDerWaalsContact O-CG 3.27Å; D68-Q72 WeakPolarHBondContact O-CG 3.5Å; D68-Q72 PolarHBondContact O-N 3.48Å; D68-Q72 PolarHBondContact OD1-NE2 2.94Å; D68-Q72 PolarHBondContact OD2-NE2 2.99Å
69Y94Very high93.8Very high47 Ų4765.2 Ų65.218%0.18435%0.345CS..Hα-helixtrans-56.5-49.2173.8171.2-108.6000112.5I32 T33 S36 M65 F66 C71 Q72 I73I32-Y69 HydrophobicContact CG2-CD2 4.43Å; T33-Y69 HydrophobicContact CG2-CE2 4.15Å; T33-Y69 WeakPolarHBondContact CG2-OH 3.46Å; T33-Y69 WeakPolarHBondContact OG1-CE2 3.21Å; T33-Y69 PolarHBondContact OG1-OH 3.22Å; S36-Y69 WeakPolarHBondContact OG-CD2 3.34Å; M65-Y69 WeakPolarHBondContact O-CB 3.26Å; M65-Y69 PolarHBondContact O-N 3.04Å; F66-Y69 WeakPolarHBondContact O-CB 3.3Å; F66-Y69 PolarHBondContact O-N 3.37Å; Y69-C71 VanDerWaalsContact C-N 3.34Å; Y69-C71 PolarHBondContact O-N 2.81Å; Y69-Q72 PolarHBondContact O-N 3.02Å; Y69-Q72 VanDerWaalsContact O-N 3.16Å; Y69-I73 HydrophobicContact CD1-CD1 4.44Å; Y69-I73 HydrophobicContact CD2-CG2 4.1Å; Y69-I73 HydrophobicContact CE1-CD1 3.78Å; Y69-I73 HydrophobicContact CE2-CD1 4.48Å; Y69-I73 HydrophobicContact CE2-CG2 3.56Å; Y69-I73 WeakPolarHBondContact O-CG1 3.45Å; Y69-I73 PolarHBondContact O-N 3.05Å
70V94.8Very high93.6Very high50 Ų5061.8 Ų61.830%0.30333%0.327SS..Hα-helixtrans-59.4-45.6178.1173.30000110.8F66 M67 D68 Q72 I73 T74F66-V70 HydrophobicContact CE1-CG2 4.13Å; F66-V70 HydrophobicContact CZ-CG2 4.1Å; F66-V70 WeakPolarHBondContact O-CG2 3.18Å; F66-V70 PolarHBondContact O-N 2.97Å; F66-V70 VanDerWaalsContact O-N 3.08Å; M67-V70 PolarHBondContact O-N 2.78Å; D68-V70 PolarHBondContact O-N 3.5Å; V70-Q72 VanDerWaalsContact C-N 3.33Å; V70-Q72 PolarHBondContact O-N 3.46Å; V70-I73 WeakPolarHBondContact O-CG1 3.49Å; V70-I73 PolarHBondContact O-N 3.18Å; V70-T74 WeakPolarHBondContact O-CB 3.5Å; V70-T74 PolarHBondContact O-N 3.29Å; V70-T74 VanDerWaalsContact O-N 3.07Å; V70-T74 PolarHBondContact O-OG1 2.9Å
71C95.1Very high93.3Very high63 Ų6355 Ų5543%0.42631%0.305SS..Hα-helixtrans-62.5-37.5176.3-74.60000112.5M67 D68 Y69 F75 F76M67-C71 WeakPolarHBondContact O-CB 3.38Å; M67-C71 PolarHBondContact O-N 3.41Å; M67-C71 PolarHBondContact O-SG 3.07Å; M67-C71 VanDerWaalsContact O-SG 3.37Å; D68-C71 PolarHBondContact O-N 3.38Å; Y69-C71 VanDerWaalsContact C-N 3.34Å; Y69-C71 PolarHBondContact O-N 2.81Å; C71-F75 WeakPolarHBondContact O-CB 3.48Å; C71-F75 PolarHBondContact O-N 2.96Å; C71-F75 VanDerWaalsContact O-N 3.08Å; C71-F76 PolarHBondContact O-N 3.04Å
72Q93Very high93.2Very high23 Ų2359.1 Ų59.111%0.10732%0.321CS..Iπ-helixtrans-67.2-43.9178.9-74.7-176.641.200112.4M1 D68 Y69 V70 A77M1-Q72 HydrophobicContact CE-CG 4.19Å; M1-Q72 HydrophobicContact CG-CG 4.3Å; D68-Q72 WeakPolarHBondContact O-CB 3.4Å; D68-Q72 VanDerWaalsContact O-CG 3.27Å; D68-Q72 WeakPolarHBondContact O-CG 3.5Å; D68-Q72 PolarHBondContact O-N 3.48Å; D68-Q72 PolarHBondContact OD1-NE2 2.94Å; D68-Q72 PolarHBondContact OD2-NE2 2.99Å; Y69-Q72 PolarHBondContact O-N 3.02Å; Y69-Q72 VanDerWaalsContact O-N 3.16Å; V70-Q72 VanDerWaalsContact C-N 3.33Å; V70-Q72 PolarHBondContact O-N 3.46Å; Q72-A77 PolarHBondContact O-N 3.18Å
73I90.8Very high92.9Very high61 Ų6163.2 Ų63.231%0.31334%0.338SS..Iπ-helixtrans-79.7-21.9-178.565.8173.2000113.7Y69 V70 A77Y69-I73 HydrophobicContact CD1-CD1 4.44Å; Y69-I73 HydrophobicContact CD2-CG2 4.1Å; Y69-I73 HydrophobicContact CE1-CD1 3.78Å; Y69-I73 HydrophobicContact CE2-CD1 4.48Å; Y69-I73 HydrophobicContact CE2-CG2 3.56Å; Y69-I73 WeakPolarHBondContact O-CG1 3.45Å; Y69-I73 PolarHBondContact O-N 3.05Å; V70-I73 WeakPolarHBondContact O-CG1 3.49Å; V70-I73 PolarHBondContact O-N 3.18Å; I73-A77 VanDerWaalsContact O-CB 3.3Å; I73-A77 WeakPolarHBondContact O-CB 3.39Å
74T92.8Very high92.5Very high78 Ų7858.7 Ų58.748%0.47932%0.315SS..Iπ-helixtrans-105.1-76.2-17958.70000111.9V70 A77 A78V70-T74 WeakPolarHBondContact O-CB 3.5Å; V70-T74 PolarHBondContact O-N 3.29Å; V70-T74 VanDerWaalsContact O-N 3.07Å; V70-T74 PolarHBondContact O-OG1 2.9Å; T74-A77 PolarHBondContact O-N 3.38Å; T74-A78 WeakPolarHBondContact O-CB 3.47Å; T74-A78 PolarHBondContact O-N 2.85Å
75F94.4Very high92Very high147 Ų14759.7 Ų59.765%0.64531%0.312SS*.Iπ-helixtrans-62.4-50-173.1178.1-98.7000112C71 A77 A78 V79C71-F75 WeakPolarHBondContact O-CB 3.48Å; C71-F75 PolarHBondContact O-N 2.96Å; C71-F75 VanDerWaalsContact O-N 3.08Å; F75-A77 PolarHBondContact O-N 3.07Å; F75-A78 PolarHBondContact O-N 2.86Å; F75-V79 HydrophobicContact CD1-CG2 4.4Å; F75-V79 HydrophobicContact CE1-CG2 4.03Å; F75-V79 HydrophobicContact CE2-CG2 4.45Å; F75-V79 HydrophobicContact CZ-CG2 4.05Å; F75-V79 WeakPolarHBondContact O-CG2 3.48Å; F75-V79 PolarHBondContact O-N 2.58Å
76F93.7Very high91.5Very high37 Ų3758.7 Ų58.716%0.16231%0.306CS..Iπ-helixtrans-69.2-35.6-178.6-176.5-121.2000111.8M1 M4 V5 C71 V79 M80M1-F76 HydrophobicContact CB-CD1 4.35Å; M1-F76 HydrophobicContact CB-CE1 3.8Å; M1-F76 HydrophobicContact CB-CZ 4.08Å; M1-F76 HydrophobicContact CE-CB 4.36Å; M1-F76 HydrophobicContact CE-CD1 4.47Å; M1-F76 HydrophobicContact CE-CD2 4.35Å; M1-F76 HydrophobicContact CE-CG 4.15Å; M1-F76 HydrophobicContact CG-CD1 3.75Å; M1-F76 HydrophobicContact CG-CE1 3.71Å; M1-F76 HydrophobicContact CG-CG 4.3Å; M1-F76 HydrophobicContact CG-CZ 4.13Å; M1-F76 HydrophobicContact SD-CD1 4.39Å; M1-F76 HydrophobicContact SD-CD2 4.28Å; M1-F76 HydrophobicContact SD-CE1 4.45Å; M1-F76 HydrophobicContact SD-CE2 4.28Å; M1-F76 HydrophobicContact SD-CG 4.37Å; M1-F76 HydrophobicContact SD-CZ 4.39Å; M4-F76 HydrophobicContact CE-CD1 3Å; M4-F76 HydrophobicContact CE-CE1 3.26Å; M4-F76 HydrophobicContact CE-CG 4.11Å; V5-F76 HydrophobicContact CG2-CE1 4.36Å; V5-F76 HydrophobicContact CG2-CZ 3.79Å; C71-F76 PolarHBondContact O-N 3.04Å; F76-V79 PolarHBondContact O-N 3.04Å; F76-M80 HydrophobicContact CE1-CG 4.37Å; F76-M80 HydrophobicContact CE1-SD 4.02Å; F76-M80 HydrophobicContact CE2-CG 4.44Å; F76-M80 HydrophobicContact CZ-CG 4.19Å; F76-M80 HydrophobicContact CZ-SD 4.23Å; F76-M80 WeakPolarHBondContact O-CG 3.41Å; F76-M80 PolarHBondContact O-N 3.36Å
77A91.5Very high90.8Very high5 Ų556 Ų564%0.04130%0.296CS..Hα-helixtrans-61.8-41.4171.300000112.9L21 L25 Q72 I73 T74 F75 M80 A81L21-A77 HydrophobicContact CD1-CB 4.39Å; L25-A77 HydrophobicContact CD1-CB 4.41Å; L25-A77 HydrophobicContact CD2-CB 4.48Å; Q72-A77 PolarHBondContact O-N 3.18Å; I73-A77 VanDerWaalsContact O-CB 3.3Å; I73-A77 WeakPolarHBondContact O-CB 3.39Å; T74-A77 PolarHBondContact O-N 3.38Å; F75-A77 PolarHBondContact O-N 3.07Å; A77-M80 PolarHBondContact O-N 3.06Å; A77-A81 PolarHBondContact O-N 3.11Å
78A92.9Very high90Very high62 Ų6255.4 Ų55.451%0.51229%0.293SS..Hα-helixtrans-64.7-40.9174.800000112.2T74 F75 M80 A81 F82T74-A78 WeakPolarHBondContact O-CB 3.47Å; T74-A78 PolarHBondContact O-N 2.85Å; F75-A78 PolarHBondContact O-N 2.86Å; A78-M80 VanDerWaalsContact C-N 3.34Å; A78-M80 PolarHBondContact O-N 3.38Å; A78-A81 PolarHBondContact O-N 3.06Å; A78-F82 PolarHBondContact O-N 3.24Å
79V92.5Very high89.3Confident44 Ų4456.6 Ų56.627%0.26730%0.297SS..Hα-helixtrans-61.5-42.7173.7172.70000110.6F75 F76 A81 F82 F83F75-V79 HydrophobicContact CD1-CG2 4.4Å; F75-V79 HydrophobicContact CE1-CG2 4.03Å; F75-V79 HydrophobicContact CE2-CG2 4.45Å; F75-V79 HydrophobicContact CZ-CG2 4.05Å; F75-V79 WeakPolarHBondContact O-CG2 3.48Å; F75-V79 PolarHBondContact O-N 2.58Å; F76-V79 PolarHBondContact O-N 3.04Å; V79-A81 PolarHBondContact O-N 3.19Å; V79-F82 PolarHBondContact O-N 3.27Å; V79-F83 HydrophobicContact CG1-CD2 3.7Å; V79-F83 HydrophobicContact CG1-CE2 3.83Å; V79-F83 WeakPolarHBondContact O-CD2 3.47Å; V79-F83 PolarHBondContact O-N 3.36Å
80M90.1Very high88.5Confident15 Ų1557.4 Ų57.47%0.07430%0.3CS..Hα-helixtrans-62.1-42.2175.7-71.1-167-44.700112.7M4 L21 T24 F76 A77 A78 F82 F83 G84M4-M80 HydrophobicContact CE-CE 3.42Å; M4-M80 VanDerWaalsContact CE-CE 3.42Å; M4-M80 HydrophobicContact CE-SD 3.84Å; M4-M80 HydrophobicContact CG-CE 3.55Å; M4-M80 HydrophobicContact CG-SD 3.92Å; M4-M80 HydrophobicContact SD-CE 3.5Å; M4-M80 VanDerWaalsContact SD-CE 3.5Å; M4-M80 HydrophobicContact SD-SD 4.4Å; L21-M80 HydrophobicContact CD1-CE 3.64Å; T24-M80 HydrophobicContact CG2-CE 4.38Å; F76-M80 HydrophobicContact CE1-CG 4.37Å; F76-M80 HydrophobicContact CE1-SD 4.02Å; F76-M80 HydrophobicContact CE2-CG 4.44Å; F76-M80 HydrophobicContact CZ-CG 4.19Å; F76-M80 HydrophobicContact CZ-SD 4.23Å; F76-M80 WeakPolarHBondContact O-CG 3.41Å; F76-M80 PolarHBondContact O-N 3.36Å; A77-M80 PolarHBondContact O-N 3.06Å; A78-M80 VanDerWaalsContact C-N 3.34Å; A78-M80 PolarHBondContact O-N 3.38Å; M80-F82 VanDerWaalsContact C-N 3.34Å; M80-F82 PolarHBondContact O-N 2.81Å; M80-F83 PolarHBondContact O-N 3.42Å; M80-G84 PolarHBondContact O-N 3.3Å
81A90.2Very high87.6Confident25 Ų2558.6 Ų58.621%0.20730%0.299CS..Hα-helixtrans-57.9-47.7173.300000111.4T17 L21 A77 A78 V79 F83 G84 D85T17-A81 HydrophobicContact CG2-CB 4.12Å; T17-A81 WeakPolarHBondContact CG2-O 3.47Å; L21-A81 HydrophobicContact CD2-CB 4Å; A77-A81 PolarHBondContact O-N 3.11Å; A78-A81 PolarHBondContact O-N 3.06Å; V79-A81 PolarHBondContact O-N 3.19Å; A81-F83 VanDerWaalsContact C-N 3.33Å; A81-F83 PolarHBondContact O-N 3.44Å; A81-G84 WeakPolarHBondContact O-CA 3.33Å; A81-G84 PolarHBondContact O-N 3.41Å; A81-D85 PolarHBondContact O-N 3.42Å
82F89.2Confident86.8Confident116 Ų11658.4 Ų58.451%0.50929%0.292SS..Hα-helixtrans-60.1-41.4179.3-172.9-116.7000112.8A78 V79 M80 F86A78-F82 PolarHBondContact O-N 3.24Å; V79-F82 PolarHBondContact O-N 3.27Å; M80-F82 VanDerWaalsContact C-N 3.34Å; M80-F82 PolarHBondContact O-N 2.81Å; F82-F86 HydrophobicContact CD1-CD2 4.28Å; F82-F86 AromaticContact CD1-CE2 3.61Å; F82-F86 HydrophobicContact CD1-CE2 3.61Å; F82-F86 HydrophobicContact CD1-CZ 4.45Å; F82-F86 HydrophobicContact CD2-CE2 4.37Å; F82-F86 HydrophobicContact CE1-CD2 4.28Å; F82-F86 AromaticContact CE1-CE2 3.22Å; F82-F86 HydrophobicContact CE1-CE2 3.22Å; F82-F86 AromaticContact CE1-CZ 3.75Å; F82-F86 HydrophobicContact CE1-CZ 3.75Å; F82-F86 HydrophobicContact CE2-CE2 4.01Å; F82-F86 AromaticContact CE2-CZ 3.93Å; F82-F86 HydrophobicContact CE2-CZ 3.93Å; F82-F86 HydrophobicContact CG-CE2 4.2Å; F82-F86 AromaticContact CZ-CE2 3.42Å; F82-F86 HydrophobicContact CZ-CE2 3.42Å; F82-F86 VanDerWaalsContact CZ-CE2 3.42Å; F82-F86 AromaticContact CZ-CZ 3.43Å; F82-F86 HydrophobicContact CZ-CZ 3.43Å; F82-F86 VanDerWaalsContact CZ-CZ 3.43Å; F82-F86 VanDerWaalsContact O-CD2 3.25Å; F82-F86 WeakPolarHBondContact O-CD2 3.42Å; F82-F86 PolarHBondContact O-N 3.34Å
83F88.4Confident86Confident92 Ų9260.5 Ų60.540%0.40431%0.308SS..Hα-helixtrans-73.6-26.4174.2-83.8-82.4000113.4V79 M80 A81 F86 E87 L96V79-F83 HydrophobicContact CG1-CD2 3.7Å; V79-F83 HydrophobicContact CG1-CE2 3.83Å; V79-F83 WeakPolarHBondContact O-CD2 3.47Å; V79-F83 PolarHBondContact O-N 3.36Å; M80-F83 PolarHBondContact O-N 3.42Å; A81-F83 VanDerWaalsContact C-N 3.33Å; A81-F83 PolarHBondContact O-N 3.44Å; F83-F86 HydrophobicContact CD1-CD2 4.38Å; F83-F86 PolarHBondContact O-N 3.02Å; F83-E87 PolarHBondContact O-N 3.49Å; F83-L96 HydrophobicContact CE1-CD2 4.2Å
84G85.7Confident85.1Confident1 Ų167.1 Ų67.11%0.0133%0.33CS..Hα-helixtrans-63.6-41.4172.300000112.5M80 A81 F86 E87 I88M80-G84 PolarHBondContact O-N 3.3Å; A81-G84 WeakPolarHBondContact O-CA 3.33Å; A81-G84 PolarHBondContact O-N 3.41Å; G84-F86 VanDerWaalsContact C-N 3.32Å; G84-F86 PolarHBondContact O-N 3.2Å; G84-E87 WeakPolarHBondContact O-CB 3.46Å; G84-E87 PolarHBondContact O-N 2.82Å; G84-I88 WeakPolarHBondContact O-CG1 3.47Å; G84-I88 PolarHBondContact O-N 3.27Å; G84-I88 VanDerWaalsContact O-N 3.11Å
85D84.8Confident84.4Confident77 Ų7769.5 Ų69.541%0.41233%0.334SS..Hα-helixtrans-62.9-39.8174.2-67.2-24.6000111.6T17 A81 I88 E89T17-D85 WeakPolarHBondContact CB-OD1 3.23Å; T17-D85 WeakPolarHBondContact CG2-OD1 3.39Å; T17-D85 PolarHBondContact OG1-OD1 2.85Å; A81-D85 PolarHBondContact O-N 3.42Å; D85-I88 PolarHBondContact O-N 2.98Å; D85-E89 WeakPolarHBondContact O-CG 3.46Å; D85-E89 PolarHBondContact O-N 2.82Å
86F83.4Confident83.2Confident22 Ų2264.7 Ų64.710%0.09632%0.315CS..Hα-helixtrans-68.4-32.1174.7-69.3-46.1000114F82 F83 G84 E89 R90 R91 L96F82-F86 HydrophobicContact CD1-CD2 4.28Å; F82-F86 AromaticContact CD1-CE2 3.61Å; F82-F86 HydrophobicContact CD1-CE2 3.61Å; F82-F86 HydrophobicContact CD1-CZ 4.45Å; F82-F86 HydrophobicContact CD2-CE2 4.37Å; F82-F86 HydrophobicContact CE1-CD2 4.28Å; F82-F86 AromaticContact CE1-CE2 3.22Å; F82-F86 HydrophobicContact CE1-CE2 3.22Å; F82-F86 AromaticContact CE1-CZ 3.75Å; F82-F86 HydrophobicContact CE1-CZ 3.75Å; F82-F86 HydrophobicContact CE2-CE2 4.01Å; F82-F86 AromaticContact CE2-CZ 3.93Å; F82-F86 HydrophobicContact CE2-CZ 3.93Å; F82-F86 HydrophobicContact CG-CE2 4.2Å; F82-F86 AromaticContact CZ-CE2 3.42Å; F82-F86 HydrophobicContact CZ-CE2 3.42Å; F82-F86 VanDerWaalsContact CZ-CE2 3.42Å; F82-F86 AromaticContact CZ-CZ 3.43Å; F82-F86 HydrophobicContact CZ-CZ 3.43Å; F82-F86 VanDerWaalsContact CZ-CZ 3.43Å; F82-F86 VanDerWaalsContact O-CD2 3.25Å; F82-F86 WeakPolarHBondContact O-CD2 3.42Å; F82-F86 PolarHBondContact O-N 3.34Å; F83-F86 HydrophobicContact CD1-CD2 4.38Å; F83-F86 PolarHBondContact O-N 3.02Å; G84-F86 VanDerWaalsContact C-N 3.32Å; G84-F86 PolarHBondContact O-N 3.2Å; F86-E89 PolarHBondContact O-N 3.01Å; F86-R90 PolarHBondContact O-N 3.21Å; F86-R90 VanDerWaalsContact O-N 3.17Å; F86-R91 HydrophobicContact CB-CB 4.23Å; F86-R91 HydrophobicContact CD1-CB 4.26Å; F86-R91 HydrophobicContact CD1-CG 4.08Å; F86-R91 PolarHBondContact O-N 3.43Å; F86-L96 HydrophobicContact CD2-CD2 3.55Å; F86-L96 HydrophobicContact CE1-CB 4.48Å; F86-L96 HydrophobicContact CE2-CD1 3.71Å; F86-L96 HydrophobicContact CE2-CD2 3.57Å; F86-L96 HydrophobicContact CE2-CG 4.12Å; F86-L96 HydrophobicContact CG-CD2 4.04Å; F86-L96 HydrophobicContact CZ-CB 4.25Å; F86-L96 HydrophobicContact CZ-CD1 3.94Å; F86-L96 HydrophobicContact CZ-CD2 4.11Å; F86-L96 HydrophobicContact CZ-CG 4.33Å
87E80.1Confident82.3Confident49 Ų4974.2 Ų74.223%0.22935%0.35CS..Hα-helixtrans-62.3-46.4173.5-172178.8-164.500110.1W8 R20 F83 G84 E89 R90 S117W8-E87 PolarHBondContact NE1-OE2 3.31Å; R20-E87 IonicContact CZ-OE2 3.98Å; R20-E87 IonicContact NH1-OE2 2.87Å; R20-E87 PolarHBondContact NH1-OE2 2.73Å; R20-E87 IonicContact NH2-OE2 3.52Å; R20-E87 PolarHBondContact NH2-OE2 3.03Å; F83-E87 PolarHBondContact O-N 3.49Å; G84-E87 WeakPolarHBondContact O-CB 3.46Å; G84-E87 PolarHBondContact O-N 2.82Å; E87-E89 VanDerWaalsContact C-N 3.32Å; E87-E89 PolarHBondContact O-N 3.34Å; E87-R90 PolarHBondContact O-N 2.9Å; E87-R90 VanDerWaalsContact O-N 3.08Å; E87-S117 PolarHBondContact OE1-OG 3.45Å
88I78.4Confident81.3Confident88 Ų8882.6 Ų82.645%0.45138%0.381SS..Hα-helixtrans-61.8-40.4176.7-64.6171.9000111T17 G84 D85 R90T17-I88 VanDerWaalsContact OG1-CD1 3.24Å; T17-I88 WeakPolarHBondContact OG1-CD1 3.42Å; G84-I88 WeakPolarHBondContact O-CG1 3.47Å; G84-I88 PolarHBondContact O-N 3.27Å; G84-I88 VanDerWaalsContact O-N 3.11Å; D85-I88 PolarHBondContact O-N 2.98Å; I88-R90 PolarHBondContact O-N 3.39Å
89E80Confident80.4Confident86 Ų8686.8 Ų86.840%0.40239%0.387SS..THydrogen-bonded Turntrans-78.43.2178-68.5-175.4-175.700114.5D85 F86 E87 R91D85-E89 WeakPolarHBondContact O-CG 3.46Å; D85-E89 PolarHBondContact O-N 2.82Å; F86-E89 PolarHBondContact O-N 3.01Å; E87-E89 VanDerWaalsContact C-N 3.32Å; E87-E89 PolarHBondContact O-N 3.34Å; E89-R91 HydrophobicContact CB-CG 3.81Å; E89-R91 PolarHBondContact O-N 3.24Å; E89-R91 IonicContact OE1-NH2 3.45Å; E89-R91 IonicContact OE2-CZ 3.3Å; E89-R91 IonicContact OE2-NE 2.79Å; E89-R91 PolarHBondContact OE2-NE 3.21Å; E89-R91 IonicContact OE2-NH2 2.82Å; E89-R91 PolarHBondContact OE2-NH2 3.08Å
90R75.7Confident79.1Confident64 Ų6487 Ų8724%0.24239%0.386CS..THydrogen-bonded Turntrans52.636.8-176.4-61.5-175.5175.1174.2-1.1113.2F86 E87 I88 K99 M100 V119F86-R90 PolarHBondContact O-N 3.21Å; F86-R90 VanDerWaalsContact O-N 3.17Å; E87-R90 PolarHBondContact O-N 2.9Å; E87-R90 VanDerWaalsContact O-N 3.08Å; I88-R90 PolarHBondContact O-N 3.39Å; R90-K99 WeakPolarHBondContact O-CA 3.28Å; R90-M100 PolarHBondContact O-N 3.31Å; R90-V119 PolarHBondContact NH2-O 2.96Å
91R76.6Confident77.8Confident75 Ų7595.2 Ų95.228%0.28342%0.421SS..BIsolated β-bridgetrans-82.7149177.6-52.5-151.1-168175.24.5111.1F86 E89 L96F86-R91 HydrophobicContact CB-CB 4.23Å; F86-R91 HydrophobicContact CD1-CB 4.26Å; F86-R91 HydrophobicContact CD1-CG 4.08Å; F86-R91 PolarHBondContact O-N 3.43Å; E89-R91 HydrophobicContact CB-CG 3.81Å; E89-R91 PolarHBondContact O-N 3.24Å; E89-R91 IonicContact OE1-NH2 3.45Å; E89-R91 IonicContact OE2-CZ 3.3Å; E89-R91 IonicContact OE2-NE 2.79Å; E89-R91 PolarHBondContact OE2-NE 3.21Å; E89-R91 IonicContact OE2-NH2 2.82Å; E89-R91 PolarHBondContact OE2-NH2 3.08Å; R91-L96 WeakPolarHBondContact CD-O 3.5Å; R91-L96 PolarHBondContact NH1-O 3.43Å
92H77.7Confident76.3Confident60 Ų6097.1 Ų97.128%0.27843%0.431SS..  trans-71.7136.6176.4-169.8-79.5000111.2Y94 F95 L96 R98 M100H92-Y94 PolarHBondContact ND1-N 3.2Å; H92-Y94 PolarHBondContact O-N 3.43Å; H92-F95 HydrophobicContact CB-CB 4.3Å; H92-F95 AromaticContact ND1-CD2 3.86Å; H92-F95 PolarHBondContact ND1-N 3.26Å; H92-F95 CarbonylContact O-C 3.56Å; H92-F95 PolarHBondContact O-N 3.31Å; H92-L96 PolarHBondContact O-N 3.09Å; H92-R98 PolarHBondContact N-O 3.2Å; H92-M100 HydrophobicContact CB-CG 4.38Å
93C76Confident74.2Confident67 Ų6799.5 Ų99.545%0.45344%0.437SS..SBendtrans-61-41.4-174.656.50000114.7
94Y73.8Confident71.9Confident199 Ų199101.4 Ų101.478%0.7845%0.452SS*.SBendtrans-82.6-28.7175-72.6-79.8000113.9H92H92-Y94 PolarHBondContact ND1-N 3.2Å; H92-Y94 PolarHBondContact O-N 3.43Å
95F76.6Confident69.9Low129 Ų129110.3 Ų110.357%0.56649%0.493SS*.  trans-123.975.9-172.4-63.9-67.3000108.3H92 W97 R98H92-F95 HydrophobicContact CB-CB 4.3Å; H92-F95 AromaticContact ND1-CD2 3.86Å; H92-F95 PolarHBondContact ND1-N 3.26Å; H92-F95 CarbonylContact O-C 3.56Å; H92-F95 PolarHBondContact O-N 3.31Å; F95-W97 PolarHBondContact O-N 2.97Å; F95-R98 HydrophobicContact CB-CB 4.37Å; F95-R98 PolarHBondContact O-N 3.24Å
96L70.6Confident67.7Low45 Ų45112.7 Ų112.724%0.23651%0.51CS..THydrogen-bonded Turntrans-58.6-2.9-174.4-59.1175.7000114.8F83 F86 R91 H92F83-L96 HydrophobicContact CE1-CD2 4.2Å; F86-L96 HydrophobicContact CD2-CD2 3.55Å; F86-L96 HydrophobicContact CE1-CB 4.48Å; F86-L96 HydrophobicContact CE2-CD1 3.71Å; F86-L96 HydrophobicContact CE2-CD2 3.57Å; F86-L96 HydrophobicContact CE2-CG 4.12Å; F86-L96 HydrophobicContact CG-CD2 4.04Å; F86-L96 HydrophobicContact CZ-CB 4.25Å; F86-L96 HydrophobicContact CZ-CD1 3.94Å; F86-L96 HydrophobicContact CZ-CD2 4.11Å; F86-L96 HydrophobicContact CZ-CG 4.33Å; R91-L96 WeakPolarHBondContact CD-O 3.5Å; R91-L96 PolarHBondContact NH1-O 3.43Å; H92-L96 PolarHBondContact O-N 3.09Å
97W74Confident65.4Low237 Ų237117.2 Ų117.290%0.89854%0.535SS*.THydrogen-bonded Turntrans-97-16177.8-38.293.1000112.7F95F95-W97 PolarHBondContact O-N 2.97Å
98R70.1Confident63.1Low182 Ų182124.9 Ų124.969%0.68757%0.568SS**  trans-103.9115.5-171.8-164174-173176.72.1110.1H92 F95H92-R98 PolarHBondContact N-O 3.2Å; F95-R98 HydrophobicContact CB-CB 4.37Å; F95-R98 PolarHBondContact O-N 3.24Å
99K74.2Confident60.7Low150 Ų150122.9 Ų122.965%0.65257%0.568SS**BIsolated β-bridgetrans-71.9135.6167.6-69.1-170.9176.4-173.40110R90R90-K99 WeakPolarHBondContact O-CA 3.28Å
100M66.4Low58.2Low48 Ų48128.7 Ų128.724%0.23659%0.593CS.*PPolyproline II helixtrans-76.2131.4176.8-63.8-167.4-80.800109.6R90 H92 L116 M118R90-M100 PolarHBondContact O-N 3.31Å; H92-M100 HydrophobicContact CB-CG 4.38Å; M100-L116 HydrophobicContact CE-CD1 4.36Å; M100-L116 HydrophobicContact CE-CD2 3.81Å; M100-L116 HydrophobicContact CE-CG 4.19Å; M100-L116 HydrophobicContact SD-CD1 4.36Å; M100-L116 HydrophobicContact SD-CD2 3.77Å; M100-M118 HydrophobicContact CB-CE 3.49Å; M100-M118 VanDerWaalsContact CB-CE 3.49Å; M100-M118 HydrophobicContact CE-CE 4.01Å; M100-M118 HydrophobicContact CG-CE 4.28Å; M100-M118 HydrophobicContact SD-CE 3.9Å
101K62.2Low56Low187 Ų187135.2 Ų135.281%0.81362%0.619SS**PPolyproline II helixtrans-70.3142.5171.4-71.6-173.8175.3-173.20109.1R103K101-R103 PolarHBondContact O-N 2.92Å
102P58.2Low53.7Low65 Ų65139.9 Ų139.942%0.42264%0.641SS.*PPolyproline II helixtrans-57.2134.7170.924.5-31.4000109.2
103R45.8Very low51.4Low166 Ų166141 Ų14163%0.62666%0.656SS**  trans-94.6115.8-177-174.7-179.6-176.2173.33.2109K101 E105K101-R103 PolarHBondContact O-N 2.92Å; R103-E105 PolarHBondContact O-N 3.41Å
104N39.2Very low49.4Very low133 Ų133140 Ų14071%0.71165%0.649SS**  trans-54.2133.4168.4-74.10.1000110.5T106N104-T106 PolarHBondContact O-N 3.45Å
105E45.3Very low47.5Very low187 Ų187135.7 Ų135.787%0.87464%0.644SS**SBendtrans-63.216.2-165.1-64.8-166.4128.600118.1R103R103-E105 PolarHBondContact O-N 3.41Å
106T36.7Very low45.7Very low128 Ų128133.5 Ų133.579%0.78564%0.638SS**  trans-94.63.2-166.545.90000116.9N104N104-T106 PolarHBondContact O-N 3.45Å
107L35.4Very low43.9Very low116 Ų116133.9 Ų133.961%0.60764%0.644SS**  trans-117.875.9176.2-95.8118.9000112.4G109L107-G109 PolarHBondContact O-N 2.96Å
108K32.5Very low42.1Very low211 Ų211125.9 Ų125.992%0.91762%0.618SS**  trans-76.814.3166.1-78.5-176.5175.7174.90113.8
109G28.1Very low40.6Very low45 Ų45119.4 Ų119.446%0.46460%0.598SS.*SBendtrans-94.5104.3-175.600000113.3L107L107-G109 PolarHBondContact O-N 2.96Å
110F26.9Very low38.8Very low208 Ų208116.3 Ų116.391%0.91259%0.593SS**  trans56.566.1141.9-147-93.1000117.1
111Y30.3Very low37.6Very low201 Ų201119.7 Ų119.779%0.78861%0.609SS**  trans-136.5140.1159.9-85-85.5000111.3S113Y111-S113 PolarHBondContact O-N 3.28Å
112F28.3Very low36.5Very low174 Ų174119.7 Ų119.776%0.76361%0.611SS**  trans-62.972.6174.2-161-100.6000109.3S114F112-S114 VanDerWaalsContact CD1-OG 3.29Å; F112-S114 WeakPolarHBondContact CD1-OG 3.31Å; F112-S114 WeakPolarHBondContact CE1-OG 3.27Å; F112-S114 PolarHBondContact O-N 3.04Å
113S29.9Very low35.6Very low84 Ų84122.2 Ų122.259%0.58761%0.613SS**  trans-8270.2-175.8-1720000110Y111Y111-S113 PolarHBondContact O-N 3.28Å
114S33.4Very low35.3Very low44 Ų44120.6 Ų120.631%0.30861%0.612SS.*SBendtrans-101.921.8169.542.70000111.6W9 F112W9-S114 WeakPolarHBondContact CH2-O 3.45Å; W9-S114 WeakPolarHBondContact CZ2-O 3.41Å; F112-S114 VanDerWaalsContact CD1-OG 3.29Å; F112-S114 WeakPolarHBondContact CD1-OG 3.31Å; F112-S114 WeakPolarHBondContact CE1-OG 3.27Å; F112-S114 PolarHBondContact O-N 3.04Å
115T34Very low35.1Very low110 Ų110120.4 Ų120.468%0.67561%0.611SS**SBendtrans-141.22.7-170.115.50000117
116L37.4Very low34.8Very low82 Ų82117.4 Ų117.443%0.42960%0.595SS.*  trans-147.7101.3-179.5-121.397.1000111M100 M118M100-L116 HydrophobicContact CE-CD1 4.36Å; M100-L116 HydrophobicContact CE-CD2 3.81Å; M100-L116 HydrophobicContact CE-CG 4.19Å; M100-L116 HydrophobicContact SD-CD1 4.36Å; M100-L116 HydrophobicContact SD-CD2 3.77Å; L116-M118 HydrophobicContact CD2-CE 4.04Å; L116-M118 HydrophobicContact CD2-CG 4.1Å; L116-M118 HydrophobicContact CD2-SD 4.23Å
117S32.7Very low35.2Very low53 Ų53114.5 Ų114.537%0.37158%0.577SS.*  trans-77.9124.9155.9104.20000106.4E87E87-S117 PolarHBondContact OE1-OG 3.45Å
118M37.1Very low35.4Very low69 Ų69114.4 Ų114.434%0.3458%0.575SS.*  trans-120121.8173.9-105.9-172.1173.700107.7M100 L116M100-M118 HydrophobicContact CB-CE 3.49Å; M100-M118 VanDerWaalsContact CB-CE 3.49Å; M100-M118 HydrophobicContact CE-CE 4.01Å; M100-M118 HydrophobicContact CG-CE 4.28Å; M100-M118 HydrophobicContact SD-CE 3.9Å; L116-M118 HydrophobicContact CD2-CE 4.04Å; L116-M118 HydrophobicContact CD2-CG 4.1Å; L116-M118 HydrophobicContact CD2-SD 4.23Å
119V38.9Very low35.9Very low47 Ų47109.6 Ų109.629%0.28556%0.559SS.*  trans-66133.1175.3175.70000109.9P13 M14 R90P13-V119 HydrophobicContact CB-CG2 4.27Å; M14-V119 HydrophobicContact CE-CG1 4.28Å; M14-V119 HydrophobicContact SD-CG1 3.72Å; M14-V119 HydrophobicContact SD-CG2 4.11Å; R90-V119 PolarHBondContact NH2-O 2.96Å
120P37.1Very low37Very low84 Ų84112.5 Ų112.555%0.54556%0.56SS.*  trans-66.4160.1175.9-18.931.5000114.6
121E41.3Very low37.8Very low120 Ų120110.9 Ų110.956%0.56155%0.548SS*.G310 helixtrans-82.9-19.4-165-154.8166.5-163.400115.1R123E121-R123 PolarHBondContact O-N 3.31Å
122E38Very low38.6Very low186 Ų186105.6 Ų105.687%0.86953%0.534SS*.G310 helixtrans-68.5-1.2-175-76.1-178152.900115.3
123R39.5Very low40Very low119 Ų119100.6 Ų100.645%0.44952%0.517SS..G310 helixtrans-102.1-5.9-174.4-143.3-173.8-130.1-1254.1115.3E121 D125 F126 V127E121-R123 PolarHBondContact O-N 3.31Å; R123-D125 PolarHBondContact O-N 3.26Å; R123-F126 HydrophobicContact CG-CB 4.28Å; R123-F126 PolarHBondContact O-N 2.83Å; R123-V127 HydrophobicContact CG-CG2 4.16Å; R123-V127 PolarHBondContact O-N 3.36Å
124E39.4Very low40.9Very low131 Ų131100.8 Ų100.861%0.61251%0.512SS*.Hα-helixtrans-63.4-34.2173.4-74.6-160.3165.400111.3M128E124-M128 WeakPolarHBondContact O-CB 3.41Å; E124-M128 VanDerWaalsContact O-CG 3.26Å; E124-M128 WeakPolarHBondContact O-CG 3.43Å; E124-M128 PolarHBondContact O-N 3.31Å; E124-M128 VanDerWaalsContact O-N 3.13Å
125D35.8Very low41.7Very low130 Ų130104.9 Ų104.970%0.69553%0.526SS*.Hα-helixtrans-70.2-38.6176.5-69-24000112R123 L129R123-D125 PolarHBondContact O-N 3.26Å; D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 PolarHBondContact O-N 3.08Å
126F39Very low42.5Very low123 Ų123104.5 Ų104.554%0.53952%0.519SS..Hα-helixtrans-76.1-41.3-177.6-157.4-91.5000112.9R123 L129 E130R123-F126 HydrophobicContact CG-CB 4.28Å; R123-F126 PolarHBondContact O-N 2.83Å; F126-L129 WeakPolarHBondContact O-CB 3.36Å; F126-L129 PolarHBondContact O-N 2.83Å; F126-E130 WeakPolarHBondContact O-CB 3.19Å; F126-E130 PolarHBondContact O-N 3.35Å
127V44.4Very low43.4Very low67 Ų67106.7 Ų106.741%0.40653%0.527SS..Hα-helixtrans-72.7-33.9178.1175.10000111.5R123 L129 R131R123-V127 HydrophobicContact CG-CG2 4.16Å; R123-V127 PolarHBondContact O-N 3.36Å; V127-L129 VanDerWaalsContact C-N 3.35Å; V127-R131 VanDerWaalsContact O-CB 3.28Å; V127-R131 WeakPolarHBondContact O-CB 3.45Å; V127-R131 PolarHBondContact O-N 3.47Å
128M39.5Very low44.5Very low115 Ų115108.7 Ų108.757%0.56753%0.533SS*.Hα-helixtrans-66.6-37.7169.3-78-79.5-80.200111.4E124 N132E124-M128 WeakPolarHBondContact O-CB 3.41Å; E124-M128 VanDerWaalsContact O-CG 3.26Å; E124-M128 WeakPolarHBondContact O-CG 3.43Å; E124-M128 PolarHBondContact O-N 3.31Å; E124-M128 VanDerWaalsContact O-N 3.13Å; M128-N132 VanDerWaalsContact O-CB 3.29Å; M128-N132 WeakPolarHBondContact O-CB 3.17Å; M128-N132 PolarHBondContact O-N 3.13Å; M128-N132 PolarHBondContact O-ND2 2.94Å; M128-N132 VanDerWaalsContact O-ND2 3.11Å
129L42.5Very low45Very low109 Ų109111.2 Ų111.257%0.57155%0.545SS*.Hα-helixtrans-62.4-50.1174.3-129.593.1000111.4D125 F126 V127 R131 N132 V133D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 PolarHBondContact O-N 3.08Å; F126-L129 WeakPolarHBondContact O-CB 3.36Å; F126-L129 PolarHBondContact O-N 2.83Å; V127-L129 VanDerWaalsContact C-N 3.35Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.88Å; L129-N132 PolarHBondContact O-N 3.35Å; L129-N132 VanDerWaalsContact O-N 3.15Å; L129-V133 VanDerWaalsContact O-CG2 3.27Å; L129-V133 WeakPolarHBondContact O-CG2 3.4Å; L129-V133 PolarHBondContact O-N 3.35Å
130E50.8Low45.4Very low106 Ų106113.9 Ų113.950%0.49556%0.558SS.*Hα-helixtrans-63.6-40.4-176.9-147.7169.8-160.200110.9F126 N132 V133 D134F126-E130 WeakPolarHBondContact O-CB 3.19Å; F126-E130 PolarHBondContact O-N 3.35Å; E130-N132 PolarHBondContact O-N 2.71Å; E130-V133 PolarHBondContact O-N 3.45Å; E130-D134 PolarHBondContact O-N 2.99Å
131R45Very low45.9Very low175 Ų175112.6 Ų112.666%0.6655%0.551SS**Hα-helixtrans-67.3-35175-152.1179.5-156.2168.76112.8V127 L129 Q135V127-R131 VanDerWaalsContact O-CB 3.28Å; V127-R131 WeakPolarHBondContact O-CB 3.45Å; V127-R131 PolarHBondContact O-N 3.47Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.88Å; R131-Q135 WeakPolarHBondContact O-CB 3.21Å; R131-Q135 WeakPolarHBondContact O-CG 3.34Å; R131-Q135 PolarHBondContact O-N 3.34Å
132N47.4Very low46.2Very low89 Ų89113.1 Ų113.148%0.47655%0.552SS.*Hα-helixtrans-71.5-35.3174.1-73.5-23.9000111.7M128 L129 E130 L136M128-N132 VanDerWaalsContact O-CB 3.29Å; M128-N132 WeakPolarHBondContact O-CB 3.17Å; M128-N132 PolarHBondContact O-N 3.13Å; M128-N132 PolarHBondContact O-ND2 2.94Å; M128-N132 VanDerWaalsContact O-ND2 3.11Å; L129-N132 PolarHBondContact O-N 3.35Å; L129-N132 VanDerWaalsContact O-N 3.15Å; E130-N132 PolarHBondContact O-N 2.71Å; N132-L136 VanDerWaalsContact O-CB 3.32Å; N132-L136 WeakPolarHBondContact O-CB 3.13Å; N132-L136 PolarHBondContact O-N 2.79Å
133V57.4Low46.3Very low69 Ų69107.6 Ų107.642%0.41853%0.533SS..Hα-helixtrans-67.9-45.4175.1172.90000110.7L129 E130 Q135 L136 E137L129-V133 VanDerWaalsContact O-CG2 3.27Å; L129-V133 WeakPolarHBondContact O-CG2 3.4Å; L129-V133 PolarHBondContact O-N 3.35Å; E130-V133 PolarHBondContact O-N 3.45Å; V133-Q135 VanDerWaalsContact C-N 3.35Å; V133-Q135 PolarHBondContact O-N 2.96Å; V133-L136 CarbonylContact O-C 3.56Å; V133-L136 WeakPolarHBondContact O-CB 3.35Å; V133-L136 PolarHBondContact O-N 3.22Å; V133-L136 VanDerWaalsContact O-N 3.13Å; V133-E137 PolarHBondContact O-N 3.07Å
134D48Very low46.5Very low89 Ų89106.3 Ų106.348%0.47654%0.538SS..Hα-helixtrans-62.6-39.9174.7-78.8-14.3000112E130 L136 E137 I138E130-D134 PolarHBondContact O-N 2.99Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-E137 PolarHBondContact O-N 3.27Å; D134-I138 WeakPolarHBondContact O-CB 3.32Å; D134-I138 WeakPolarHBondContact O-CD1 3.43Å; D134-I138 WeakPolarHBondContact O-CG1 3.41Å; D134-I138 PolarHBondContact O-N 2.81Å
135Q51.2Low46.6Very low129 Ų129107.1 Ų107.160%0.60354%0.542SS*.Hα-helixtrans-64.4-38.1173.9-73.2-112.9-35.900111.9R131 V133 M139R131-Q135 WeakPolarHBondContact O-CB 3.21Å; R131-Q135 WeakPolarHBondContact O-CG 3.34Å; R131-Q135 PolarHBondContact O-N 3.34Å; V133-Q135 VanDerWaalsContact C-N 3.35Å; V133-Q135 PolarHBondContact O-N 2.96Å; Q135-M139 WeakPolarHBondContact O-CB 3.31Å; Q135-M139 WeakPolarHBondContact O-CG 3.38Å; Q135-M139 PolarHBondContact O-N 2.93Å
136L50Low46.9Very low102 Ų102107.3 Ų107.353%0.53454%0.542SS..Hα-helixtrans-68.3-39.2175.1-96.9151.7000112.2N132 V133 D134 M139 N140N132-L136 VanDerWaalsContact O-CB 3.32Å; N132-L136 WeakPolarHBondContact O-CB 3.13Å; N132-L136 PolarHBondContact O-N 2.79Å; V133-L136 CarbonylContact O-C 3.56Å; V133-L136 WeakPolarHBondContact O-CB 3.35Å; V133-L136 PolarHBondContact O-N 3.22Å; V133-L136 VanDerWaalsContact O-N 3.13Å; D134-L136 VanDerWaalsContact C-N 3.33Å; L136-M139 PolarHBondContact O-N 3.35Å; L136-N140 VanDerWaalsContact O-CB 3.31Å; L136-N140 WeakPolarHBondContact O-CB 3.27Å; L136-N140 PolarHBondContact O-N 3.03Å
137E57.3Low46.9Very low129 Ų129107.9 Ų107.960%0.60355%0.551SS**Hα-helixtrans-68.6-40175.4-76-168168.800112V133 D134 N140 S141V133-E137 PolarHBondContact O-N 3.07Å; D134-E137 PolarHBondContact O-N 3.27Å; E137-N140 PolarHBondContact O-N 3.42Å; E137-S141 WeakPolarHBondContact O-CB 3.35Å; E137-S141 PolarHBondContact O-N 2.85Å
138I54.5Low46.7Very low95 Ų95111.9 Ų111.949%0.48757%0.57SS.*Hα-helixtrans-68.7-35.8174.8-66.2165.5000111.3D134 S141 K142D134-I138 WeakPolarHBondContact O-CB 3.32Å; D134-I138 WeakPolarHBondContact O-CD1 3.43Å; D134-I138 WeakPolarHBondContact O-CG1 3.41Å; D134-I138 PolarHBondContact O-N 2.81Å; I138-S141 PolarHBondContact O-OG 3.46Å; I138-K142 WeakPolarHBondContact O-CB 3.37Å; I138-K142 WeakPolarHBondContact O-CG 3.43Å; I138-K142 PolarHBondContact O-N 3.44Å; I138-K142 VanDerWaalsContact O-N 3.13Å
139M47.5Very low46.5Very low121 Ų121115.3 Ų115.360%0.59658%0.584SS**Hα-helixtrans-68.1-40.6172.3-87.9-176.654.400111.9Q135 L136 K142 C143Q135-M139 WeakPolarHBondContact O-CB 3.31Å; Q135-M139 WeakPolarHBondContact O-CG 3.38Å; Q135-M139 PolarHBondContact O-N 2.93Å; L136-M139 PolarHBondContact O-N 3.35Å; M139-K142 PolarHBondContact O-N 2.79Å; M139-C143 WeakPolarHBondContact O-CB 3.04Å; M139-C143 PolarHBondContact O-N 2.92Å
140N48.5Very low46.1Very low103 Ų103113.1 Ų113.155%0.55159%0.588SS**Hα-helixtrans-70.6-34.5178.1-86.9-17.1000112.7L136 E137 C143 T144L136-N140 VanDerWaalsContact O-CB 3.31Å; L136-N140 WeakPolarHBondContact O-CB 3.27Å; L136-N140 PolarHBondContact O-N 3.03Å; E137-N140 PolarHBondContact O-N 3.42Å; N140-C143 PolarHBondContact O-N 2.93Å; N140-T144 PolarHBondContact O-N 3.41Å; N140-T144 PolarHBondContact O-OG1 3.5Å
141S46.2Very low45.1Very low58 Ų58116 Ų11641%0.40661%0.607SS.*Hα-helixtrans-69.3-39.1174.186.70000111.7E137 I138 T144 E145E137-S141 WeakPolarHBondContact O-CB 3.35Å; E137-S141 PolarHBondContact O-N 2.85Å; I138-S141 PolarHBondContact O-OG 3.46Å; S141-T144 WeakPolarHBondContact CA-OG1 3.38Å; S141-T144 PolarHBondContact O-N 2.88Å; S141-T144 PolarHBondContact O-OG1 3.42Å; S141-T144 VanDerWaalsContact O-OG1 3.09Å; S141-E145 PolarHBondContact O-N 3.04Å
142K47.8Very low44.2Very low131 Ų131113 Ų11357%0.5761%0.612SS**Hα-helixtrans-67.2-36173.1-79.4179.3174.9178.30113.3I138 M139 T144 L146I138-K142 WeakPolarHBondContact O-CB 3.37Å; I138-K142 WeakPolarHBondContact O-CG 3.43Å; I138-K142 PolarHBondContact O-N 3.44Å; I138-K142 VanDerWaalsContact O-N 3.13Å; M139-K142 PolarHBondContact O-N 2.79Å; K142-T144 VanDerWaalsContact C-N 3.34Å; K142-L146 WeakPolarHBondContact O-CD1 3.16Å; K142-L146 WeakPolarHBondContact O-CG 3.32Å; K142-L146 PolarHBondContact O-N 3.25Å; K142-L146 VanDerWaalsContact O-N 3.15Å
143C41.2Very low43.4Very low70 Ų70113 Ų11347%0.47362%0.624SS.*Hα-helixtrans-71.8-25.3174.3-82.40000113.3M139 N140 N147M139-C143 WeakPolarHBondContact O-CB 3.04Å; M139-C143 PolarHBondContact O-N 2.92Å; N140-C143 PolarHBondContact O-N 2.93Å; C143-N147 PolarHBondContact O-N 3.35Å
144T43.3Very low42.1Very low91 Ų91114.2 Ų114.256%0.55864%0.641SS**Hα-helixtrans-84-26.7174.933.80000113N140 S141 K142N140-T144 PolarHBondContact O-N 3.41Å; N140-T144 PolarHBondContact O-OG1 3.5Å; S141-T144 WeakPolarHBondContact CA-OG1 3.38Å; S141-T144 PolarHBondContact O-N 2.88Å; S141-T144 PolarHBondContact O-OG1 3.42Å; S141-T144 VanDerWaalsContact O-OG1 3.09Å; K142-T144 VanDerWaalsContact C-N 3.34Å
145E41.6Very low41.3Very low148 Ų148116.3 Ų116.369%0.69266%0.657SS**Hα-helixtrans-74.4-31.1169.3-76.1-177.8163.100112.8S141S141-E145 PolarHBondContact O-N 3.04Å
146L42.4Very low40.2Very low135 Ų135116.3 Ų116.371%0.70767%0.666SS**Hα-helixtrans-79.6-17.5176.9-78.1160.5000114.4K142K142-L146 WeakPolarHBondContact O-CD1 3.16Å; K142-L146 WeakPolarHBondContact O-CG 3.32Å; K142-L146 PolarHBondContact O-N 3.25Å; K142-L146 VanDerWaalsContact O-N 3.15Å
147N39.3Very low39.3Very low135 Ų135117 Ų11772%0.72268%0.68SS**THydrogen-bonded Turntrans-93.8-1.6179.7-91.6-10.1000114.6C143C143-N147 PolarHBondContact O-N 3.35Å
148N39.2Very low37.9Very low151 Ų151117.9 Ų117.981%0.80769%0.689SS**SBendtrans-95.43.4176-86.6-21.6000114.1
149E36.3Very low36.9Very low186 Ų186122.1 Ų122.187%0.86970%0.704SS**SBendtrans-120.463.6172.6-66.3-169.9159.100110.1
150G32.3Very low36.2Very low63 Ų63124.7 Ų124.765%0.64971%0.714SS**SBendtrans-173.259.1-171.300000115.9
151L29.9Very low35.5Very low168 Ų168125.8 Ų125.888%0.8872%0.724SS**  trans35.9103.1141-152.274.8000118.6
152S26.6Very low34.8Very low111 Ų111128.5 Ų128.578%0.77674%0.74SS**  41.3126.5125.4-159.30000120.3
153A30.7Very low33.8Very low89 Ų89127 Ų12774%0.73675%0.746SS**  trans109.6123.1145.800000117.5
154A29.7Very low33.3Very low94 Ų94132.3 Ų132.378%0.77777%0.769SS**  trans69.9138.5148.200000116.8
155V31.5Very low32.9Very low134 Ų134136.1 Ų136.181%0.81278%0.78SS**  cis-169.8147.711.3129.80000106.6
156T27.9Very low32.4Very low129 Ų129133.3 Ų133.379%0.79178%0.782SS**  trans-60139168.8430000114.3
157S31.7Very low31.8Very low117 Ų117137.8 Ų137.882%0.81879%0.789SS**  trans174.6122132.4176.50000114.2
158N28.7Very low31.4Very low147 Ų147138.7 Ų138.779%0.78679%0.794SS**  trans-23.5146.8159.9-84.8-27.2000119.9
159K33.2Very low30.9Very low184 Ų184134.7 Ų134.780%0.879%0.789SS**  173.9122118.1-97.2170.9-175.9-178.70115.3
160H32.9Very low30.5Very low175 Ų175135.7 Ų135.781%0.8179%0.79SS**  trans70.6138.9130.4-87-5.7000119.6
161V32.9Very low30.2Very low126 Ų126137.8 Ų137.876%0.76480%0.795SS**  cis-162.1-171.929-158.30000108.6
162P32Very low30.2Very low115 Ų115137 Ų13775%0.74780%0.797SS**  -121.1-179-101.142.6-22.9000117.6
163S27.3Very low30.2Very low100 Ų100140.7 Ų140.770%0.69980%0.799SS**  trans-59.7148.6179.753.60000119.4
164L30Very low29.9Very low181 Ų181141.9 Ų141.995%0.94880%0.802SS**  trans-114.4126.3153.4-136.199.9000109.9
165H34.9Very low30Very low171 Ų171146.6 Ų146.679%0.79281%0.808SS**  trans-80.1140.2-172.4-98.4-46.1000114.6
166A30.4Very low29.9Very low88 Ų88148.3 Ų148.373%0.72781%0.812SS**  35.2129.8129.900000121.2
167R30.4Very low29.8Very low230 Ų230150.1 Ų150.187%0.86882%0.816SS**  178.1147.3100.4-138.3167.5178.5172.4-0.5112.9
168N31.7Very low29.7Very low153 Ų153148.8 Ų148.882%0.81881%0.812SS**  trans77.6114.4171.7-59.6-12.7000115
169G27Very low29.5Very low68 Ų68146.9 Ų146.970%0.70181%0.808SS**  cis100.183.226.100000109.9
170K28.7Very low29.2Very low207 Ų207145.7 Ų145.790%0.981%0.81SS**  trans167.4118145.8-92.6163.1-173.5-174.10111.6
171S26.4Very low28.9Very low107 Ų107144.6 Ų144.675%0.74881%0.811SS**  trans48.390.1145-170.50000119.4
172V29.5Very low28.7Very low150 Ų150143.2 Ų143.291%0.90980%0.802SS**  trans-102.283.2156.6-177.20000107.9
173K25.8Very low28.6Very low190 Ų190141.9 Ų141.983%0.82680%0.801SS**  trans-147.198.9167.6-117.5-173.5-179.4-179.70104.6
174S26.1Very low29.2Very low114 Ų114143.3 Ų143.380%0.79780%0.801SS**  trans135.382.8171.1171.30000111.4
175E30.2Very low30.1Very low192 Ų192141.3 Ų141.390%0.89779%0.786SS**  trans-16431.4162.5-117.8156.3-177.600113.7
176L30.1Very low31Very low171 Ų171137.1 Ų137.190%0.89577%0.767SS**SBendtrans-112.513.2173.6-115.3113.6000113.9
177D27Very low32.7Very low167 Ų167136 Ų13689%0.89375%0.752SS**  trans-130.864175.5-66.2-46.2000109.5
178A27.7Very low34.3Very low88 Ų88131.1 Ų131.173%0.72774%0.742SS**  trans-89.2127.916500000108.4
179P26.2Very low36.2Very low108 Ų108125.8 Ų125.870%0.70172%0.715SS**  trans-66.6139.8-176.729.1-32.5000109.8D181P179-D181 PolarHBondContact O-N 2.82Å
180N25.6Very low38.1Very low158 Ų158123.2 Ų123.285%0.84569%0.686SS**  trans-58.182166.2-95.7-11000109.7T182N180-T182 PolarHBondContact O-N 3.16Å
181D27.4Very low40.1Very low153 Ų153115.3 Ų115.382%0.81865%0.653SS**  trans-86.172.4162.1-104.5-10.1000107.3P179 A183P179-D181 PolarHBondContact O-N 2.82Å; D181-A183 PolarHBondContact O-N 3.49Å
182T28.7Very low42.7Very low96 Ų96115.5 Ų115.559%0.58964%0.641SS**  trans-68.1107.3156.845.50000106.1N180 D184N180-T182 PolarHBondContact O-N 3.16Å; T182-D184 PolarHBondContact O-N 2.8Å
183A29.9Very low45.1Very low87 Ų87108.7 Ų108.772%0.71960%0.599SS**  trans-61.886.8174.200000109.6D181 H185D181-A183 PolarHBondContact O-N 3.49Å; A183-H185 PolarHBondContact O-N 3.37Å
184D39.7Very low47.4Very low131 Ų131102.5 Ų102.570%0.70157%0.573SS**  trans-61.4105.7174.9-71.8-18.2000108.1T182 E186T182-D184 PolarHBondContact O-N 2.8Å; D184-E186 PolarHBondContact O-N 2.84Å
185H48.1Very low49.8Very low138 Ų138101.1 Ų101.164%0.63955%0.552SS**  trans-66.583.3171.2-75.6-66.4000109.3A183 T187A183-H185 PolarHBondContact O-N 3.37Å; H185-T187 PolarHBondContact O-N 2.73Å; H185-T187 VanDerWaalsContact O-N 3.13Å
186E55.4Low52.2Low84 Ų8499 Ų9939%0.39354%0.537SS..  trans-62113175.9-68.8-172.5158.700109.9D184 I191 K195D184-E186 PolarHBondContact O-N 2.84Å; E186-I191 HydrophobicContact CB-CD1 3.92Å; E186-I191 HydrophobicContact CB-CG1 3.74Å; E186-I191 WeakPolarHBondContact OE2-CG1 3.4Å; E186-K195 WeakPolarHBondContact OE2-CE 3.28Å; E186-K195 IonicContact OE2-NZ 3.13Å; E186-K195 PolarHBondContact OE2-NZ 3.33Å
187T64.7Low54.9Low65 Ų6593.3 Ų93.340%0.39950%0.504SS..  trans-61.7144170.7530000110.5H185 T189 S190 I191H185-T187 PolarHBondContact O-N 2.73Å; H185-T187 VanDerWaalsContact O-N 3.13Å; T187-T189 PolarHBondContact O-N 3.3Å; T187-T189 PolarHBondContact OG1-OG1 3.18Å; T187-S190 PolarHBondContact N-OG 3.06Å; T187-S190 PolarHBondContact O-N 3.25Å; T187-S190 PolarHBondContact O-OG 3.37Å; T187-S190 WeakPolarHBondContact OG1-CB 3.03Å; T187-S190 PolarHBondContact OG1-N 2.93Å; T187-S190 PolarHBondContact OG1-OG 3.07Å; T187-I191 PolarHBondContact O-N 3.49Å
188L65.5Low57.4Low127 Ų12785.4 Ų85.467%0.66546%0.463SS*.Hα-helixtrans-52.2-31.3178.5-76.2170.4000112.8F192L188-F192 PolarHBondContact O-N 3.3Å
189T70.5Confident59.9Low41 Ų4190 Ų9025%0.25246%0.461SS..Hα-helixtrans-69-45176.546.90000111.9T187 I191 F192 F193 F512T187-T189 PolarHBondContact O-N 3.3Å; T187-T189 PolarHBondContact OG1-OG1 3.18Å; T189-I191 VanDerWaalsContact C-N 3.29Å; T189-I191 PolarHBondContact O-N 3.27Å; T189-F192 PolarHBondContact O-N 3.38Å; T189-F193 WeakPolarHBondContact O-CD2 3.33Å; T189-F193 PolarHBondContact O-N 3.09Å; T189-F512 HydrophobicContact CG2-CB 4.41Å; T189-F512 HydrophobicContact CG2-CD1 3.89Å; T189-F512 HydrophobicContact CG2-CD2 3.56Å; T189-F512 HydrophobicContact CG2-CE1 3.98Å; T189-F512 HydrophobicContact CG2-CE2 3.65Å; T189-F512 HydrophobicContact CG2-CG 3.68Å; T189-F512 HydrophobicContact CG2-CZ 3.87Å
190S67.1Low62.8Low13 Ų1389.4 Ų89.49%0.09145%0.451CS..Hα-helixtrans-62.8-40.3175.977.40000110.4T187 F192 F193 Q194T187-S190 PolarHBondContact N-OG 3.06Å; T187-S190 PolarHBondContact O-N 3.25Å; T187-S190 PolarHBondContact O-OG 3.37Å; T187-S190 WeakPolarHBondContact OG1-CB 3.03Å; T187-S190 PolarHBondContact OG1-N 2.93Å; T187-S190 PolarHBondContact OG1-OG 3.07Å; S190-F192 PolarHBondContact O-N 3.23Å; S190-F193 PolarHBondContact O-N 3.43Å; S190-Q194 WeakPolarHBondContact O-CB 3.46Å; S190-Q194 PolarHBondContact O-N 3.32Å
191I70Confident65.8Low42 Ų4282.3 Ų82.322%0.21541%0.413CS..Hα-helixtrans-60.1-45.9174-63.6178.3000111.4E186 T187 T189 K195E186-I191 HydrophobicContact CB-CD1 3.92Å; E186-I191 HydrophobicContact CB-CG1 3.74Å; E186-I191 WeakPolarHBondContact OE2-CG1 3.4Å; T187-I191 PolarHBondContact O-N 3.49Å; T189-I191 VanDerWaalsContact C-N 3.29Å; T189-I191 PolarHBondContact O-N 3.27Å; I191-K195 HydrophobicContact CG2-CB 4.43Å; I191-K195 HydrophobicContact CG2-CD 3.82Å; I191-K195 HydrophobicContact CG2-CG 4.15Å; I191-K195 WeakPolarHBondContact O-CA 3.44Å; I191-K195 VanDerWaalsContact O-CB 3.24Å; I191-K195 WeakPolarHBondContact O-CB 3.19Å; I191-K195 PolarHBondContact O-N 3.48Å
192F82.7Confident68.5Low110 Ų11076.4 Ų76.448%0.48238%0.38SS..Iπ-helixtrans-61.9-50.8179176.4-97.5000111.7L188 T189 S190 Q194 Y196 Y197L188-F192 PolarHBondContact O-N 3.3Å; T189-F192 PolarHBondContact O-N 3.38Å; S190-F192 PolarHBondContact O-N 3.23Å; F192-Q194 PolarHBondContact O-N 3.33Å; F192-Y196 WeakPolarHBondContact O-CB 3.25Å; F192-Y196 PolarHBondContact O-N 2.65Å; F192-Y196 VanDerWaalsContact O-N 3.16Å; F192-Y197 PolarHBondContact O-N 2.95Å
193F78.8Confident71.3Confident8 Ų877.6 Ų77.64%0.03538%0.377CS..Iπ-helixtrans-67-37.4-178.1-84.2-75.6000112.5T189 S190 Y197 G198 L507 F512 H555T189-F193 WeakPolarHBondContact O-CD2 3.33Å; T189-F193 PolarHBondContact O-N 3.09Å; S190-F193 PolarHBondContact O-N 3.43Å; F193-Y197 AromaticContact CD1-CD1 3.81Å; F193-Y197 HydrophobicContact CD1-CD1 3.81Å; F193-Y197 HydrophobicContact CD1-CE1 4.46Å; F193-Y197 HydrophobicContact CD1-CG 4.14Å; F193-Y197 HydrophobicContact CE1-CD1 4.14Å; F193-Y197 HydrophobicContact CE1-CE1 4.42Å; F193-Y197 HydrophobicContact CE1-CG 4.44Å; F193-G198 PolarHBondContact O-N 2.63Å; F193-L507 HydrophobicContact CD1-CB 4.46Å; F193-F512 HydrophobicContact CD2-CB 4.21Å; F193-F512 HydrophobicContact CE2-CB 3.73Å; F193-F512 HydrophobicContact CE2-CD2 4.33Å; F193-H555 AromaticContact CE1-CD2 4Å
194Q74.6Confident74.1Confident59 Ų5978 Ų7828%0.27637%0.373SS..Iπ-helixtrans-81.3-53-179-169.5-168.215.300112.7S190 F192 Q508S190-Q194 WeakPolarHBondContact O-CB 3.46Å; S190-Q194 PolarHBondContact O-N 3.32Å; F192-Q194 PolarHBondContact O-N 3.33Å; Q194-Q508 HydrophobicContact CB-CB 4.48Å; Q194-Q508 HydrophobicContact CB-CG 4.17Å
195K75.9Confident76.5Confident85 Ų8581 Ų8137%0.3738%0.375SS..Iπ-helixtrans-80.6-35.4-170.9-59.8-168.1-169.9150.60112.7E186 I191 R199E186-K195 WeakPolarHBondContact OE2-CE 3.28Å; E186-K195 IonicContact OE2-NZ 3.13Å; E186-K195 PolarHBondContact OE2-NZ 3.33Å; I191-K195 HydrophobicContact CG2-CB 4.43Å; I191-K195 HydrophobicContact CG2-CD 3.82Å; I191-K195 HydrophobicContact CG2-CG 4.15Å; I191-K195 WeakPolarHBondContact O-CA 3.44Å; I191-K195 VanDerWaalsContact O-CB 3.24Å; I191-K195 WeakPolarHBondContact O-CB 3.19Å; I191-K195 PolarHBondContact O-N 3.48Å; K195-R199 VanDerWaalsContact O-CD 3.27Å; K195-R199 WeakPolarHBondContact O-CD 3.29Å; K195-R199 WeakPolarHBondContact O-CG 3.32Å
196Y81.5Confident78.6Confident148 Ų14876.5 Ų76.558%0.5836%0.357SS*.Iπ-helixtrans-104.8-61.2-176.3-63.4-88.6000111.6F192 I200F192-Y196 WeakPolarHBondContact O-CB 3.25Å; F192-Y196 PolarHBondContact O-N 2.65Å; F192-Y196 VanDerWaalsContact O-N 3.16Å; Y196-I200 WeakPolarHBondContact O-CD1 3.08Å; Y196-I200 WeakPolarHBondContact O-CG1 3.49Å; Y196-I200 PolarHBondContact O-N 3.45Å
197Y85.4Confident80.3Confident51 Ų5174 Ų7420%0.235%0.345CS..Iπ-helixtrans-65.2-53.3-170.8-169.2-102.6000112.6F192 F193 R199 I200 L201 L507 H555 I556F192-Y197 PolarHBondContact O-N 2.95Å; F193-Y197 AromaticContact CD1-CD1 3.81Å; F193-Y197 HydrophobicContact CD1-CD1 3.81Å; F193-Y197 HydrophobicContact CD1-CE1 4.46Å; F193-Y197 HydrophobicContact CD1-CG 4.14Å; F193-Y197 HydrophobicContact CE1-CD1 4.14Å; F193-Y197 HydrophobicContact CE1-CE1 4.42Å; F193-Y197 HydrophobicContact CE1-CG 4.44Å; Y197-R199 PolarHBondContact O-N 3.07Å; Y197-I200 PolarHBondContact O-N 3.47Å; Y197-L201 HydrophobicContact CE1-CD2 3.98Å; Y197-L201 WeakPolarHBondContact O-CB 3.4Å; Y197-L201 PolarHBondContact O-N 2.94Å; Y197-L507 HydrophobicContact CD1-CD1 4.21Å; Y197-L507 HydrophobicContact CE1-CD1 4.03Å; Y197-H555 PolarHBondContact OH-O 2.93Å; Y197-H555 VanDerWaalsContact OH-O 3.1Å; Y197-I556 WeakPolarHBondContact OH-CG1 3.44Å
198G79.5Confident81.6Confident2 Ų273.9 Ų73.92%0.02135%0.351CS..Iπ-helixtrans-61.1-42.6-179.600000113F193 I200 L201 F202F193-G198 PolarHBondContact O-N 2.63Å; G198-I200 VanDerWaalsContact C-N 3.31Å; G198-I200 PolarHBondContact O-N 2.63Å; G198-L201 PolarHBondContact O-N 3.26Å; G198-F202 WeakPolarHBondContact O-CD2 3.5Å; G198-F202 PolarHBondContact O-N 3.41Å
199R81.8Confident83Confident183 Ų18371.8 Ų71.869%0.69134%0.343SS*.Hα-helixtrans-64.7-32.6177.9-70-167.2-176.3177.2-2.3113.3K195 Y197K195-R199 VanDerWaalsContact O-CD 3.27Å; K195-R199 WeakPolarHBondContact O-CD 3.29Å; K195-R199 WeakPolarHBondContact O-CG 3.32Å; Y197-R199 PolarHBondContact O-N 3.07Å
200I87.1Confident84.1Confident96 Ų9670.5 Ų70.549%0.49234%0.335SS..Hα-helixtrans-77.9-48.8177.9-66.8166.8000110.2Y196 Y197 G198 F202 K203 V206Y196-I200 WeakPolarHBondContact O-CD1 3.08Å; Y196-I200 WeakPolarHBondContact O-CG1 3.49Å; Y196-I200 PolarHBondContact O-N 3.45Å; Y197-I200 PolarHBondContact O-N 3.47Å; G198-I200 VanDerWaalsContact C-N 3.31Å; G198-I200 PolarHBondContact O-N 2.63Å; I200-F202 VanDerWaalsContact C-N 3.28Å; I200-F202 PolarHBondContact O-N 3.49Å; I200-K203 PolarHBondContact O-N 3.44Å; I200-V206 HydrophobicContact CG2-CG2 4.42Å; I200-V206 WeakPolarHBondContact O-CB 3.37Å; I200-V206 WeakPolarHBondContact O-CG2 3.24Å
201L86.8Confident85.3Confident10 Ų1072.3 Ų72.35%0.05235%0.347CS..Hα-helixtrans-58.8-37.3-173.3-169.370.9000112.8Y197 G198 I210 L507 I556 P559Y197-L201 HydrophobicContact CE1-CD2 3.98Å; Y197-L201 WeakPolarHBondContact O-CB 3.4Å; Y197-L201 PolarHBondContact O-N 2.94Å; G198-L201 PolarHBondContact O-N 3.26Å; L201-I210 HydrophobicContact CD1-CD1 3.48Å; L201-I210 VanDerWaalsContact CD1-CD1 3.48Å; L201-I210 HydrophobicContact CG-CD1 4.49Å; L201-L507 HydrophobicContact CD2-CD1 3.89Å; L201-I556 HydrophobicContact CD1-CG2 4.27Å; L201-P559 HydrophobicContact CD2-CB 4.18Å
202F84.5Confident86.5Confident29 Ų2975.5 Ų75.513%0.12736%0.364CS..THydrogen-bonded Turntrans-925.1-173.9-56.5-53000115.5G198 I200 K207 A500 A503 L507 P559 T563G198-F202 WeakPolarHBondContact O-CD2 3.5Å; G198-F202 PolarHBondContact O-N 3.41Å; I200-F202 VanDerWaalsContact C-N 3.28Å; I200-F202 PolarHBondContact O-N 3.49Å; F202-K207 WeakPolarHBondContact O-CE 3.36Å; F202-A500 HydrophobicContact CB-CB 4.26Å; F202-A500 HydrophobicContact CD2-CB 4.38Å; F202-A500 HydrophobicContact CG-CB 4.24Å; F202-A503 HydrophobicContact CE1-CB 3.74Å; F202-A503 HydrophobicContact CE2-CB 4.08Å; F202-A503 HydrophobicContact CZ-CB 3.3Å; F202-L507 HydrophobicContact CZ-CD1 4.14Å; F202-P559 HydrophobicContact CE1-CB 4.36Å; F202-P559 HydrophobicContact CZ-CB 4.42Å; F202-T563 HydrophobicContact CD1-CG2 3.8Å; F202-T563 HydrophobicContact CE1-CG2 3.57Å; F202-T563 HydrophobicContact CZ-CG2 4.39Å
203K88.6Confident87.1Confident121 Ų12174.9 Ų74.953%0.52637%0.365SS..SBendtrans-66.7140169.6-74.5-176.9179-177.30110.6I200 Y205 V206 K207I200-K203 PolarHBondContact O-N 3.44Å; K203-Y205 VanDerWaalsContact C-N 3.33Å; K203-Y205 PolarHBondContact O-N 3.08Å; K203-V206 HydrophobicContact CB-CB 4.38Å; K203-V206 HydrophobicContact CB-CG2 4.06Å; K203-V206 PolarHBondContact O-N 3.32Å; K203-K207 PolarHBondContact O-N 3.29Å
204P87.5Confident87.9Confident95 Ų9578 Ų7862%0.61738%0.377SS*.Hα-helixtrans-59.3-40.3-174.222.5-33.3000113.2V206 K207 A208P204-V206 PolarHBondContact O-N 3.02Å; P204-K207 PolarHBondContact O-N 2.93Å; P204-A208 PolarHBondContact O-N 3.03Å; P204-A208 VanDerWaalsContact O-N 3.09Å
205Y91.6Very high88.9Confident194 Ų19480.5 Ų80.576%0.76139%0.391SS*.Hα-helixtrans-63.3-39.9176.7-55.8-73000112.6K203 A208 V209K203-Y205 VanDerWaalsContact C-N 3.33Å; K203-Y205 PolarHBondContact O-N 3.08Å; Y205-A208 PolarHBondContact O-N 2.81Å; Y205-V209 WeakPolarHBondContact O-CG2 3.44Å; Y205-V209 PolarHBondContact O-N 3.35Å; Y205-V209 VanDerWaalsContact O-N 3.08Å
206V92.3Very high89.9Confident43 Ų4379.9 Ų79.926%0.26139%0.394SS..Hα-helixtrans-68.4-40.4179.2178.70000110.4I200 K203 P204 A208 V209 I210I200-V206 HydrophobicContact CG2-CG2 4.42Å; I200-V206 WeakPolarHBondContact O-CB 3.37Å; I200-V206 WeakPolarHBondContact O-CG2 3.24Å; K203-V206 HydrophobicContact CB-CB 4.38Å; K203-V206 HydrophobicContact CB-CG2 4.06Å; K203-V206 PolarHBondContact O-N 3.32Å; P204-V206 PolarHBondContact O-N 3.02Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 3.5Å; V206-V209 PolarHBondContact O-N 3.5Å; V206-I210 HydrophobicContact CG1-CD1 3.85Å; V206-I210 HydrophobicContact CG1-CG1 4.43Å; V206-I210 VanDerWaalsContact O-CG1 3.3Å; V206-I210 WeakPolarHBondContact O-CG1 3.31Å; V206-I210 PolarHBondContact O-N 3.45Å
207K91.2Very high90.6Very high31 Ų3173.6 Ų73.614%0.13537%0.37CS..Hα-helixtrans-59-43.1173.1-63.5-170.6-173.8-169.80112.2F202 K203 P204 V209 I210 C211 T560 T563 L564F202-K207 WeakPolarHBondContact O-CE 3.36Å; K203-K207 PolarHBondContact O-N 3.29Å; P204-K207 PolarHBondContact O-N 2.93Å; K207-V209 PolarHBondContact O-N 3.33Å; K207-I210 PolarHBondContact O-N 2.97Å; K207-C211 PolarHBondContact O-N 3.33Å; K207-C211 PolarHBondContact O-SG 2.85Å; K207-C211 VanDerWaalsContact O-SG 3.32Å; K207-T560 HydrophobicContact CB-CG2 4.11Å; K207-T560 HydrophobicContact CD-CG2 4.44Å; K207-T560 HydrophobicContact CG-CG2 4.03Å; K207-T563 PolarHBondContact NZ-OG1 3.06Å; K207-L564 HydrophobicContact CD-CD2 4.02Å; K207-L564 HydrophobicContact CD-CG 4.35Å
208A91.7Very high91.1Very high63 Ų6373.1 Ų73.152%0.52137%0.37SS..Hα-helixtrans-61.9-42.8177.100000112P204 Y205 V206 C211 L212P204-A208 PolarHBondContact O-N 3.03Å; P204-A208 VanDerWaalsContact O-N 3.09Å; Y205-A208 PolarHBondContact O-N 2.81Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 3.5Å; A208-C211 PolarHBondContact O-N 3.27Å; A208-L212 PolarHBondContact O-N 3.06Å
209V94Very high91.9Very high84 Ų8475.6 Ų75.651%0.50939%0.39SS..Hα-helixtrans-62.1-43.4174.6173.20000111.3Y205 V206 K207 C211 L212 L213Y205-V209 WeakPolarHBondContact O-CG2 3.44Å; Y205-V209 PolarHBondContact O-N 3.35Å; Y205-V209 VanDerWaalsContact O-N 3.08Å; V206-V209 PolarHBondContact O-N 3.5Å; K207-V209 PolarHBondContact O-N 3.33Å; V209-C211 PolarHBondContact O-N 2.94Å; V209-L212 PolarHBondContact O-N 2.97Å; V209-L213 HydrophobicContact CG1-CD1 4.08Å; V209-L213 HydrophobicContact CG1-CG 4.38Å; V209-L213 WeakPolarHBondContact O-CG 3.47Å; V209-L213 PolarHBondContact O-N 3.16Å
210I93.9Very high92.6Very high13 Ų1369.8 Ų69.87%0.06737%0.373CS..Hα-helixtrans-62.2-43.5177.6-69.8164.6000111.3L201 V206 K207 L212 L213 Y214 I556 F557 T560L201-I210 HydrophobicContact CD1-CD1 3.48Å; L201-I210 VanDerWaalsContact CD1-CD1 3.48Å; L201-I210 HydrophobicContact CG-CD1 4.49Å; V206-I210 HydrophobicContact CG1-CD1 3.85Å; V206-I210 HydrophobicContact CG1-CG1 4.43Å; V206-I210 VanDerWaalsContact O-CG1 3.3Å; V206-I210 WeakPolarHBondContact O-CG1 3.31Å; V206-I210 PolarHBondContact O-N 3.45Å; K207-I210 PolarHBondContact O-N 2.97Å; I210-L212 VanDerWaalsContact C-N 3.32Å; I210-L212 PolarHBondContact O-N 3.47Å; I210-L213 PolarHBondContact O-N 3.26Å; I210-Y214 WeakPolarHBondContact O-CB 3.28Å; I210-Y214 PolarHBondContact O-N 2.94Å; I210-I556 HydrophobicContact CB-CG2 4.5Å; I210-I556 HydrophobicContact CD1-CG2 3.79Å; I210-I556 HydrophobicContact CG1-CG2 3.86Å; I210-I556 HydrophobicContact CG2-CG2 3.8Å; I210-F557 HydrophobicContact CG2-CD1 3.67Å; I210-F557 HydrophobicContact CG2-CE1 3.96Å; I210-T560 HydrophobicContact CG2-CG2 4.15Å
211C92.5Very high93Very high52 Ų5265.2 Ų65.235%0.35135%0.349SS..Hα-helixtrans-61.2-41.3175.5-69.40000111.8K207 A208 V209 Y214 I215K207-C211 PolarHBondContact O-N 3.33Å; K207-C211 PolarHBondContact O-SG 2.85Å; K207-C211 VanDerWaalsContact O-SG 3.32Å; A208-C211 PolarHBondContact O-N 3.27Å; V209-C211 PolarHBondContact O-N 2.94Å; C211-Y214 WeakPolarHBondContact O-CB 3.47Å; C211-Y214 PolarHBondContact O-N 3.17Å; C211-I215 WeakPolarHBondContact O-CG1 3.33Å; C211-I215 PolarHBondContact O-N 3.08Å
212L94.7Very high93.5Very high109 Ų10969 Ų6957%0.57137%0.369SS*.Hα-helixtrans-64.1-45.6175.7-177.1144.4000111.5A208 V209 I210 Y214 I215 V216A208-L212 PolarHBondContact O-N 3.06Å; V209-L212 PolarHBondContact O-N 2.97Å; I210-L212 VanDerWaalsContact C-N 3.32Å; I210-L212 PolarHBondContact O-N 3.47Å; L212-Y214 VanDerWaalsContact C-N 3.27Å; L212-Y214 PolarHBondContact O-N 3.45Å; L212-I215 PolarHBondContact O-N 3.49Å; L212-V216 HydrophobicContact CD2-CG2 4.33Å; L212-V216 WeakPolarHBondContact O-CG2 3.41Å; L212-V216 PolarHBondContact O-N 2.74Å
213L95.4Very high94Very high96 Ų9674.8 Ų74.850%0.50339%0.39SS..Hα-helixtrans-61.1-37.1175.9-71.4174.9000112V209 I210 V216 Y217V209-L213 HydrophobicContact CG1-CD1 4.08Å; V209-L213 HydrophobicContact CG1-CG 4.38Å; V209-L213 WeakPolarHBondContact O-CG 3.47Å; V209-L213 PolarHBondContact O-N 3.16Å; I210-L213 PolarHBondContact O-N 3.26Å; L213-V216 PolarHBondContact O-N 2.96Å; L213-Y217 VanDerWaalsContact O-CB 3.3Å; L213-Y217 WeakPolarHBondContact O-CB 3.24Å; L213-Y217 PolarHBondContact O-N 3.41Å
214Y95.2Very high94.3Very high74 Ų7469 Ų6929%0.2937%0.365SS..Hα-helixtrans-64-42.5175.1-174.6-103.4000112.2I210 C211 L212 Y217 I218 S450 H553 F557I210-Y214 WeakPolarHBondContact O-CB 3.28Å; I210-Y214 PolarHBondContact O-N 2.94Å; C211-Y214 WeakPolarHBondContact O-CB 3.47Å; C211-Y214 PolarHBondContact O-N 3.17Å; L212-Y214 VanDerWaalsContact C-N 3.27Å; L212-Y214 PolarHBondContact O-N 3.45Å; Y214-Y217 HydrophobicContact CD2-CD1 4.19Å; Y214-Y217 HydrophobicContact CE2-CD1 4.22Å; Y214-Y217 HydrophobicContact CE2-CE1 4.37Å; Y214-Y217 WeakPolarHBondContact O-CB 3.33Å; Y214-Y217 PolarHBondContact O-N 3.44Å; Y214-I218 WeakPolarHBondContact O-CG2 3.35Å; Y214-I218 PolarHBondContact O-N 3.05Å; Y214-S450 VanDerWaalsContact CE2-OG 3.26Å; Y214-S450 WeakPolarHBondContact CE2-OG 3.29Å; Y214-S450 WeakPolarHBondContact OH-CB 3.39Å; Y214-S450 PolarHBondContact OH-OG 3.38Å; Y214-H553 AromaticContact CE2-NE2 3.79Å; Y214-F557 HydrophobicContact CD2-CB 4.39Å; Y214-F557 AromaticContact CD2-CD1 3.64Å; Y214-F557 HydrophobicContact CD2-CD1 3.64Å; Y214-F557 HydrophobicContact CD2-CD2 4.08Å; Y214-F557 AromaticContact CD2-CE1 3.84Å; Y214-F557 HydrophobicContact CD2-CE1 3.84Å; Y214-F557 HydrophobicContact CD2-CE2 4.25Å; Y214-F557 AromaticContact CD2-CG 3.79Å; Y214-F557 HydrophobicContact CD2-CG 3.79Å; Y214-F557 HydrophobicContact CD2-CZ 4.13Å; Y214-F557 HydrophobicContact CE2-CG 4.43Å; Y214-F557 HydrophobicContact CG-CD1 4.12Å; Y214-F557 HydrophobicContact CG-CE1 4.2Å
215I95.4Very high94.6Very high111 Ų11166 Ų6657%0.56935%0.345SS*.Hα-helixtrans-63.5-42.2176.4-67.2165.2000111C211 L212 I218 A219C211-I215 WeakPolarHBondContact O-CG1 3.33Å; C211-I215 PolarHBondContact O-N 3.08Å; L212-I215 PolarHBondContact O-N 3.49Å; I215-I218 WeakPolarHBondContact O-CG2 3.46Å; I215-A219 VanDerWaalsContact O-CB 3.3Å; I215-A219 WeakPolarHBondContact O-CB 3.39Å; I215-A219 PolarHBondContact O-N 2.97Å
216V96.3Very high94.6Very high72 Ų7263.6 Ų63.644%0.43635%0.345SS..Hα-helixtrans-63.8-46.4175.6174.40000110.4L212 L213 I218 A219 I220L212-V216 HydrophobicContact CD2-CG2 4.33Å; L212-V216 WeakPolarHBondContact O-CG2 3.41Å; L212-V216 PolarHBondContact O-N 2.74Å; L213-V216 PolarHBondContact O-N 2.96Å; V216-I218 PolarHBondContact O-N 3.14Å; V216-A219 PolarHBondContact O-N 3.45Å; V216-I220 HydrophobicContact CG1-CD1 3.85Å; V216-I220 WeakPolarHBondContact O-CG1 3.31Å; V216-I220 PolarHBondContact O-N 3.09Å
217Y96.7Very high94.6Very high17 Ų1765 Ų657%0.06735%0.353CS..Hα-helixtrans-55.6-51.4176.9159.8-98.8000112.1L213 Y214 A219 I220 A221 S450 G454 Y458 L549 H553L213-Y217 VanDerWaalsContact O-CB 3.3Å; L213-Y217 WeakPolarHBondContact O-CB 3.24Å; L213-Y217 PolarHBondContact O-N 3.41Å; Y214-Y217 HydrophobicContact CD2-CD1 4.19Å; Y214-Y217 HydrophobicContact CE2-CD1 4.22Å; Y214-Y217 HydrophobicContact CE2-CE1 4.37Å; Y214-Y217 WeakPolarHBondContact O-CB 3.33Å; Y214-Y217 PolarHBondContact O-N 3.44Å; Y217-A219 VanDerWaalsContact C-N 3.35Å; Y217-A219 PolarHBondContact O-N 3.48Å; Y217-I220 PolarHBondContact O-N 3.4Å; Y217-A221 WeakPolarHBondContact O-CB 3.49Å; Y217-A221 PolarHBondContact O-N 3.42Å; Y217-S450 PolarHBondContact OH-O 3.32Å; Y217-S450 VanDerWaalsContact OH-O 3.11Å; Y217-G454 VanDerWaalsContact OH-CA 3.29Å; Y217-G454 WeakPolarHBondContact OH-CA 3.48Å; Y217-Y458 AromaticContact CD2-CE2 3.46Å; Y217-Y458 HydrophobicContact CD2-CE2 3.46Å; Y217-Y458 VanDerWaalsContact CD2-CE2 3.46Å; Y217-Y458 AromaticContact CD2-CZ 3.89Å; Y217-Y458 WeakPolarHBondContact CD2-OH 3.01Å; Y217-Y458 HydrophobicContact CE2-CD2 4.09Å; Y217-Y458 AromaticContact CE2-CE2 3.37Å; Y217-Y458 HydrophobicContact CE2-CE2 3.37Å; Y217-L549 HydrophobicContact CD2-CD2 4.36Å; Y217-L549 HydrophobicContact CE2-CD1 4.21Å; Y217-L549 HydrophobicContact CE2-CD2 3.53Å; Y217-L549 HydrophobicContact CE2-CG 4.47Å; Y217-H553 AromaticContact CE1-CE1 3.52Å; Y217-H553 AromaticContact CE1-NE2 3.74Å; Y217-H553 AromaticContact CZ-CE1 3.53Å; Y217-H553 PolarHBondContact OH-CE1 3.37Å; Y217-H553 VanDerWaalsContact OH-CE1 3.28Å
218I95.9Very high94.4Very high40 Ų4064.8 Ų64.821%0.20535%0.353CS..Hα-helixtrans-69.1-34.4-177.3-162.665.9000111.6Y214 I215 V216 A221 I222 V453Y214-I218 WeakPolarHBondContact O-CG2 3.35Å; Y214-I218 PolarHBondContact O-N 3.05Å; I215-I218 WeakPolarHBondContact O-CG2 3.46Å; V216-I218 PolarHBondContact O-N 3.14Å; I218-A221 PolarHBondContact O-N 3.2Å; I218-I222 HydrophobicContact CG1-CD1 4.04Å; I218-I222 HydrophobicContact CG1-CG1 4.43Å; I218-I222 WeakPolarHBondContact O-CB 3.46Å; I218-I222 VanDerWaalsContact O-CG1 3.24Å; I218-I222 WeakPolarHBondContact O-CG1 2.88Å; I218-I222 PolarHBondContact O-N 3.47Å; I218-V453 HydrophobicContact CD1-CB 4.32Å; I218-V453 HydrophobicContact CD1-CG1 3.85Å
219A96.7Very high94.2Very high54 Ų5468.5 Ų68.545%0.44636%0.358SS..Hα-helixtrans-64.1-44.5175.900000112I215 V216 Y217 A221 I222 W223I215-A219 VanDerWaalsContact O-CB 3.3Å; I215-A219 WeakPolarHBondContact O-CB 3.39Å; I215-A219 PolarHBondContact O-N 2.97Å; V216-A219 PolarHBondContact O-N 3.45Å; Y217-A219 VanDerWaalsContact C-N 3.35Å; Y217-A219 PolarHBondContact O-N 3.48Å; A219-A221 VanDerWaalsContact C-N 3.35Å; A219-I222 PolarHBondContact O-N 2.71Å; A219-W223 WeakPolarHBondContact O-CB 3.43Å; A219-W223 PolarHBondContact O-N 2.97Å
220I96.6Very high93.7Very high62 Ų6268.2 Ų68.232%0.31835%0.351SS..Hα-helixtrans-64.9-41.5175.2-66.3170000110.5V216 Y217 W223 G224 Y458 L461V216-I220 HydrophobicContact CG1-CD1 3.85Å; V216-I220 WeakPolarHBondContact O-CG1 3.31Å; V216-I220 PolarHBondContact O-N 3.09Å; Y217-I220 PolarHBondContact O-N 3.4Å; I220-W223 PolarHBondContact O-N 3.25Å; I220-G224 PolarHBondContact O-N 2.93Å; I220-Y458 HydrophobicContact CG2-CD1 4.43Å; I220-Y458 HydrophobicContact CG2-CE1 3.63Å; I220-L461 HydrophobicContact CG2-CD1 3.42Å; I220-L461 VanDerWaalsContact CG2-CD1 3.42Å
221A96.4Very high93Very high0 Ų067.7 Ų67.70%035%0.349CS..Hα-helixtrans-61.3-48.5177.400000111.8Y217 I218 A219 W223 G224 C225 V453 G457 Y458Y217-A221 WeakPolarHBondContact O-CB 3.49Å; Y217-A221 PolarHBondContact O-N 3.42Å; I218-A221 PolarHBondContact O-N 3.2Å; A219-A221 VanDerWaalsContact C-N 3.35Å; A221-W223 VanDerWaalsContact C-N 3.33Å; A221-W223 PolarHBondContact O-N 3.44Å; A221-G224 PolarHBondContact O-N 2.68Å; A221-C225 PolarHBondContact O-N 2.96Å; A221-C225 PolarHBondContact O-SG 3.21Å; A221-V453 HydrophobicContact CB-CG1 4.07Å; A221-G457 VanDerWaalsContact O-CA 3.27Å; A221-G457 WeakPolarHBondContact O-CA 3.43Å; A221-Y458 HydrophobicContact CB-CD2 4.48Å; A221-Y458 HydrophobicContact CB-CE2 4.14Å
222I95.9Very high92.2Very high90 Ų9066.4 Ų66.446%0.46234%0.338SS..Hα-helixtrans-60.4-43.7176.8-69.1166.1000110.5I218 A219 G224 C225 L226 V453I218-I222 HydrophobicContact CG1-CD1 4.04Å; I218-I222 HydrophobicContact CG1-CG1 4.43Å; I218-I222 WeakPolarHBondContact O-CB 3.46Å; I218-I222 VanDerWaalsContact O-CG1 3.24Å; I218-I222 WeakPolarHBondContact O-CG1 2.88Å; I218-I222 PolarHBondContact O-N 3.47Å; A219-I222 PolarHBondContact O-N 2.71Å; I222-G224 VanDerWaalsContact C-N 3.35Å; I222-G224 PolarHBondContact O-N 3.18Å; I222-C225 WeakPolarHBondContact O-CB 3.42Å; I222-C225 PolarHBondContact O-N 2.83Å; I222-L226 WeakPolarHBondContact O-CG 3.3Å; I222-L226 PolarHBondContact O-N 3.44Å; I222-V453 HydrophobicContact CG1-CG1 4.29Å
223W96.3Very high91.4Very high150 Ų15068.3 Ų68.357%0.56834%0.338SS*.Hα-helixtrans-60.1-44.5175.3177.561.3000112A219 I220 A221 C225 L226 V227 L461A219-W223 WeakPolarHBondContact O-CB 3.43Å; A219-W223 PolarHBondContact O-N 2.97Å; I220-W223 PolarHBondContact O-N 3.25Å; A221-W223 VanDerWaalsContact C-N 3.33Å; A221-W223 PolarHBondContact O-N 3.44Å; W223-C225 VanDerWaalsContact C-N 3.31Å; W223-C225 PolarHBondContact O-N 2.93Å; W223-L226 PolarHBondContact O-N 3.35Å; W223-L226 VanDerWaalsContact O-N 3.14Å; W223-V227 WeakPolarHBondContact O-CG2 3.44Å; W223-V227 PolarHBondContact O-N 3.09Å; W223-L461 HydrophobicContact CE3-CD2 3.76Å; W223-L461 HydrophobicContact CH2-CD2 4.08Å; W223-L461 HydrophobicContact CZ3-CD1 4.5Å; W223-L461 HydrophobicContact CZ3-CD2 3.36Å
224G94.4Very high90.6Very high0 Ų065.2 Ų65.20%032%0.324CS..Hα-helixtrans-60.4-37.717500000113.3I220 A221 I222 L226 V227 I228 G457 S460I220-G224 PolarHBondContact O-N 2.93Å; A221-G224 PolarHBondContact O-N 2.68Å; I222-G224 VanDerWaalsContact C-N 3.35Å; I222-G224 PolarHBondContact O-N 3.18Å; G224-L226 PolarHBondContact O-N 3.48Å; G224-V227 PolarHBondContact O-N 3.37Å; G224-I228 PolarHBondContact O-N 3.09Å; G224-G457 WeakPolarHBondContact CA-O 3.49Å; G224-S460 WeakPolarHBondContact O-CB 3.45Å; G224-S460 PolarHBondContact O-OG 3.3Å
225C93Very high89.9Confident31 Ų3162.5 Ų62.521%0.20932%0.316CS..Hα-helixtrans-61-32.3176.5-64.30000112.3A221 I222 W223 I228 Y456A221-C225 PolarHBondContact O-N 2.96Å; A221-C225 PolarHBondContact O-SG 3.21Å; I222-C225 WeakPolarHBondContact O-CB 3.42Å; I222-C225 PolarHBondContact O-N 2.83Å; W223-C225 VanDerWaalsContact C-N 3.31Å; W223-C225 PolarHBondContact O-N 2.93Å; C225-I228 WeakPolarHBondContact O-CG2 3.47Å; C225-Y456 HydrophobicContact CB-CD1 3.91Å; C225-Y456 HydrophobicContact CB-CE1 4.15Å; C225-Y456 VanDerWaalsContact SG-CD1 3.56Å
226L92.7Very high89.3Confident143 Ų14358.6 Ų58.675%0.74930%0.297SS*.Hα-helixtrans-78.7-24.1179.8-63.2173.1000113.2I222 W223 G224I222-L226 WeakPolarHBondContact O-CG 3.3Å; I222-L226 PolarHBondContact O-N 3.44Å; W223-L226 PolarHBondContact O-N 3.35Å; W223-L226 VanDerWaalsContact O-N 3.14Å; G224-L226 PolarHBondContact O-N 3.48Å
227V91.4Very high88.8Confident73 Ų7359.5 Ų59.544%0.44230%0.298SS..Hα-helixtrans-93.9-6.4-174.6177.10000112.5W223 G224 K229W223-V227 WeakPolarHBondContact O-CG2 3.44Å; W223-V227 PolarHBondContact O-N 3.09Å; G224-V227 PolarHBondContact O-N 3.37Å; V227-K229 PolarHBondContact O-N 3.39Å
228I87.8Confident88.3Confident26 Ų2660.5 Ų60.513%0.13331%0.306CS..PPolyproline II helixtrans-60.9136.1-170.5-164.9163000113.3G224 C225 Y456 M459 S460 L466G224-I228 PolarHBondContact O-N 3.09Å; C225-I228 WeakPolarHBondContact O-CG2 3.47Å; I228-Y456 HydrophobicContact CB-CE1 4.39Å; I228-Y456 HydrophobicContact CD1-CD1 4.29Å; I228-Y456 HydrophobicContact CD1-CE1 3.85Å; I228-Y456 HydrophobicContact CD1-CE2 4.15Å; I228-Y456 HydrophobicContact CG2-CE1 3.86Å; I228-M459 HydrophobicContact CD1-CE 3.14Å; I228-M459 HydrophobicContact CD1-CG 4.3Å; I228-M459 HydrophobicContact CD1-SD 4.45Å; I228-S460 WeakPolarHBondContact CA-OG 3.28Å; I228-S460 PolarHBondContact N-OG 2.77Å; I228-L466 HydrophobicContact CD1-CB 3.93Å; I228-L466 HydrophobicContact CG1-CB 4.31Å
229K86.3Confident88Confident142 Ų14262 Ų6262%0.61731%0.312SS*.PPolyproline II helixtrans-95136.7174-64.5-178.9-178.5179.60109.9V227 N465 L466V227-K229 PolarHBondContact O-N 3.39Å; K229-N465 CarbonylContact O-C 3.57Å; K229-N465 VanDerWaalsContact O-CA 3.31Å; K229-N465 WeakPolarHBondContact O-CA 3.38Å; K229-N465 WeakPolarHBondContact O-CB 3.39Å; K229-L466 PolarHBondContact O-N 2.84Å
230E84.8Confident87.4Confident78 Ų7861.8 Ų61.836%0.36431%0.311SS..BIsolated β-bridgetrans-96.2143.8177.4-62.3176.3-164.500110.7A374 A413E230-A374 WeakPolarHBondContact O-CB 3.4Å; E230-A413 HydrophobicContact CG-CB 4.41Å
231G77.6Confident87Confident2 Ų265.2 Ų65.22%0.02133%0.33CS..  trans113.5149.9167.400000115.5N465 L466G231-N465 VanDerWaalsContact O-CB 3.29Å; G231-N465 WeakPolarHBondContact O-CB 3.25Å; G231-N465 PolarHBondContact O-ND2 2.99Å; G231-N465 VanDerWaalsContact O-ND2 3.1Å; G231-L466 PolarHBondContact N-O 3.34Å
232L77.1Confident86.8Confident24 Ų2468.5 Ų68.513%0.12635%0.345CS..  trans-103.9115.5177.6178.562.8000109.4D236 L237 Y409 D467 L535L232-D236 HydrophobicContact CD1-CB 4.38Å; L232-L237 HydrophobicContact CD2-CD2 3.86Å; L232-L237 HydrophobicContact CD2-CG 4.32Å; L232-Y409 HydrophobicContact CB-CE1 4.37Å; L232-Y409 PolarHBondContact O-OH 3.39Å; L232-D467 HydrophobicContact CB-CB 3.88Å; L232-L535 HydrophobicContact CD1-CD1 3.89Å
233R76.6Confident86.6Confident149 Ų14972.3 Ų72.356%0.56236%0.355SS*.  trans-75.3135.1176.5-58.4175.1-62.9-178.74.4109.1A235 D236R233-A235 PolarHBondContact O-N 3.44Å; R233-D236 WeakPolarHBondContact CB-OD2 3.48Å; R233-D236 IonicContact CZ-OD1 3.1Å; R233-D236 IonicContact CZ-OD2 3.78Å; R233-D236 IonicContact NE-OD1 2.72Å; R233-D236 IonicContact NE-OD2 3.5Å; R233-D236 PolarHBondContact NE-OD2 2.78Å; R233-D236 IonicContact NH2-OD1 2.81Å; R233-D236 PolarHBondContact NH2-OD1 2.92Å; R233-D236 IonicContact NH2-OD2 2.64Å; R233-D236 PolarHBondContact NH2-OD2 3.43Å; R233-D236 VanDerWaalsContact NH2-OD2 3.13Å; R233-D236 WeakPolarHBondContact O-CB 3.34Å; R233-D236 PolarHBondContact O-N 2.93Å
234P79.2Confident86.4Confident32 Ų3266.8 Ų66.821%0.20834%0.338CS..G310 helixtrans-54.9-29.3176.7-28.935.7000114D236 L237 Y248P234-D236 PolarHBondContact O-N 3.27Å; P234-L237 WeakPolarHBondContact O-CB 3.35Å; P234-L237 PolarHBondContact O-N 3.24Å; P234-Y248 HydrophobicContact CB-CE1 4.49Å; P234-Y248 HydrophobicContact CB-CE2 4.04Å
235A80.5Confident86.1Confident17 Ų1768.7 Ų68.714%0.1435%0.349CS..G310 helixtrans-64.7-23.9175.400000113.9R233 L237 V238 Y248R233-A235 PolarHBondContact O-N 3.44Å; A235-L237 VanDerWaalsContact C-N 3.31Å; A235-V238 VanDerWaalsContact O-CG2 3.31Å; A235-V238 WeakPolarHBondContact O-CG2 3.38Å; A235-Y248 HydrophobicContact CB-CD2 4.02Å; A235-Y248 HydrophobicContact CB-CG 4.3Å
236D83Confident85.9Confident29 Ų2973.9 Ų73.916%0.15537%0.368CS..G310 helixtrans-81.6-11.7-177.8-63.2-34.1000112.4L232 R233 P234 P534 L535L232-D236 HydrophobicContact CD1-CB 4.38Å; R233-D236 WeakPolarHBondContact CB-OD2 3.48Å; R233-D236 IonicContact CZ-OD1 3.1Å; R233-D236 IonicContact CZ-OD2 3.78Å; R233-D236 IonicContact NE-OD1 2.72Å; R233-D236 IonicContact NE-OD2 3.5Å; R233-D236 PolarHBondContact NE-OD2 2.78Å; R233-D236 IonicContact NH2-OD1 2.81Å; R233-D236 PolarHBondContact NH2-OD1 2.92Å; R233-D236 IonicContact NH2-OD2 2.64Å; R233-D236 PolarHBondContact NH2-OD2 3.43Å; R233-D236 VanDerWaalsContact NH2-OD2 3.13Å; R233-D236 WeakPolarHBondContact O-CB 3.34Å; R233-D236 PolarHBondContact O-N 2.93Å; P234-D236 PolarHBondContact O-N 3.27Å; D236-P534 HydrophobicContact CB-CB 4.14Å; D236-L535 PolarHBondContact O-N 2.83Å
237L84.8Confident85.8Confident90 Ų9072.8 Ų72.847%0.47136%0.357SS..G310 helixtrans-77.5-21.5176.8-69.7171.7000113.6L232 P234 A235 L535L232-L237 HydrophobicContact CD2-CD2 3.86Å; L232-L237 HydrophobicContact CD2-CG 4.32Å; P234-L237 WeakPolarHBondContact O-CB 3.35Å; P234-L237 PolarHBondContact O-N 3.24Å; A235-L237 VanDerWaalsContact C-N 3.31Å; L237-L535 HydrophobicContact CD2-CD1 3.95Å; L237-L535 HydrophobicContact CD2-CD2 3.88Å
238V87.3Confident85.6Confident39 Ų3972 Ų7224%0.23635%0.347CS..SBendtrans-105.7163.1-175.3-66.90000111.2A235 A240 H242 V244 V245 P534A235-V238 VanDerWaalsContact O-CG2 3.31Å; A235-V238 WeakPolarHBondContact O-CG2 3.38Å; V238-A240 PolarHBondContact O-N 3.35Å; V238-H242 HydrophobicContact CB-CB 4.19Å; V238-H242 HydrophobicContact CG2-CB 4.22Å; V238-V244 HydrophobicContact CG2-CB 4.46Å; V238-V244 HydrophobicContact CG2-CG1 4.47Å; V238-V245 HydrophobicContact CG2-CG2 3.42Å; V238-V245 VanDerWaalsContact CG2-CG2 3.42Å; V238-P534 WeakPolarHBondContact O-CD 3.4Å
239H89.1Confident85.6Confident70 Ų7080.8 Ų80.832%0.32438%0.378SS..  trans-55.7138173.2-176.9-81.5000110.8N241 H242 K532H239-N241 PolarHBondContact ND1-N 2.93Å; H239-N241 VanDerWaalsContact ND1-N 3.14Å; H239-N241 PolarHBondContact O-N 3.16Å; H239-H242 HydrophobicContact CB-CB 4.46Å; H239-H242 WeakPolarHBondContact O-CB 3.29Å; H239-H242 PolarHBondContact O-N 3.17Å; H239-K532 VanDerWaalsContact CD2-CB 3.43Å; H239-K532 WeakPolarHBondContact CD2-CB 3.24Å; H239-K532 WeakPolarHBondContact NE2-CB 3.29Å; H239-K532 WeakPolarHBondContact NE2-CD 3.46Å
240A85.2Confident85.8Confident51 Ų5179 Ų7942%0.42137%0.374SS..THydrogen-bonded Turntrans-55.8-32.1-172.600000114.3V238 K532V238-A240 PolarHBondContact O-N 3.35Å; A240-K532 PolarHBondContact N-O 3.46Å
241N88.5Confident85.9Confident133 Ų13376.1 Ų76.171%0.71136%0.362SS*.THydrogen-bonded Turntrans-87.21.4178-60-11.4000114.3H239H239-N241 PolarHBondContact ND1-N 2.93Å; H239-N241 VanDerWaalsContact ND1-N 3.14Å; H239-N241 PolarHBondContact O-N 3.16Å
242H91.3Very high86.3Confident69 Ų6977.9 Ų77.932%0.31937%0.372SS..SBendtrans-68.8141.4-177-165.4-97.3000110.6V238 H239 V244 V245V238-H242 HydrophobicContact CB-CB 4.19Å; V238-H242 HydrophobicContact CG2-CB 4.22Å; H239-H242 HydrophobicContact CB-CB 4.46Å; H239-H242 WeakPolarHBondContact O-CB 3.29Å; H239-H242 PolarHBondContact O-N 3.17Å; H242-V244 WeakPolarHBondContact CE1-CG2 3.37Å; H242-V244 VanDerWaalsContact ND1-CB 3.33Å; H242-V244 WeakPolarHBondContact ND1-CB 3.28Å; H242-V244 VanDerWaalsContact ND1-CG2 3.27Å; H242-V244 WeakPolarHBondContact ND1-CG2 3.28Å; H242-V244 PolarHBondContact ND1-N 3.05Å; H242-V244 PolarHBondContact O-N 3.45Å; H242-V244 VanDerWaalsContact O-N 3.07Å; H242-V245 WeakPolarHBondContact O-CB 3.49Å; H242-V245 PolarHBondContact O-N 2.99Å
243Y92.5Very high86.7Confident171 Ų17180.2 Ų80.267%0.67139%0.389SS*.Hα-helixtrans-58.7-27.2-177.369.1-91.3000112.7V245 K246 F247Y243-V245 VanDerWaalsContact C-N 3.3Å; Y243-V245 PolarHBondContact O-N 2.93Å; Y243-K246 CarbonylContact O-C 3.56Å; Y243-K246 WeakPolarHBondContact O-CB 3.44Å; Y243-K246 PolarHBondContact O-N 2.93Å; Y243-K246 VanDerWaalsContact O-N 3.15Å; Y243-F247 PolarHBondContact O-N 3.34Å
244V90.7Very high87.1Confident34 Ų3479.9 Ų79.921%0.20639%0.392CS..Hα-helixtrans-61-36.7174.8172.60000111.9V238 H242 K246 F247 Y248V238-V244 HydrophobicContact CG2-CB 4.46Å; V238-V244 HydrophobicContact CG2-CG1 4.47Å; H242-V244 WeakPolarHBondContact CE1-CG2 3.37Å; H242-V244 VanDerWaalsContact ND1-CB 3.33Å; H242-V244 WeakPolarHBondContact ND1-CB 3.28Å; H242-V244 VanDerWaalsContact ND1-CG2 3.27Å; H242-V244 WeakPolarHBondContact ND1-CG2 3.28Å; H242-V244 PolarHBondContact ND1-N 3.05Å; H242-V244 PolarHBondContact O-N 3.45Å; H242-V244 VanDerWaalsContact O-N 3.07Å; V244-K246 VanDerWaalsContact C-N 3.34Å; V244-F247 WeakPolarHBondContact O-CB 3.28Å; V244-F247 PolarHBondContact O-N 3.21Å; V244-Y248 HydrophobicContact CG1-CD2 3.58Å; V244-Y248 HydrophobicContact CG1-CE2 3.41Å; V244-Y248 VanDerWaalsContact CG1-CE2 3.41Å; V244-Y248 VanDerWaalsContact O-CD2 3.23Å; V244-Y248 WeakPolarHBondContact O-CD2 3.25Å; V244-Y248 PolarHBondContact O-N 3.22Å
245V88Confident87.3Confident39 Ų3980 Ų8024%0.23639%0.388CS..Hα-helixtrans-63.9-44.2174.9-177.30000110.1V238 H242 Y243 F247 Y248 R249V238-V245 HydrophobicContact CG2-CG2 3.42Å; V238-V245 VanDerWaalsContact CG2-CG2 3.42Å; H242-V245 WeakPolarHBondContact O-CB 3.49Å; H242-V245 PolarHBondContact O-N 2.99Å; Y243-V245 VanDerWaalsContact C-N 3.3Å; Y243-V245 PolarHBondContact O-N 2.93Å; V245-F247 VanDerWaalsContact C-N 3.34Å; V245-Y248 PolarHBondContact O-N 2.96Å; V245-R249 PolarHBondContact O-N 3.21Å
246K89.4Confident87.2Confident140 Ų14083.2 Ų83.261%0.60940%0.401SS*.Hα-helixtrans-62.1-43.4175.4-166.3-174.2176.4179.20110.8Y243 V244 R249 M250Y243-K246 CarbonylContact O-C 3.56Å; Y243-K246 WeakPolarHBondContact O-CB 3.44Å; Y243-K246 PolarHBondContact O-N 2.93Å; Y243-K246 VanDerWaalsContact O-N 3.15Å; V244-K246 VanDerWaalsContact C-N 3.34Å; K246-R249 PolarHBondContact O-N 3.45Å; K246-M250 HydrophobicContact CB-CE 4.49Å; K246-M250 HydrophobicContact CD-CE 4.15Å; K246-M250 HydrophobicContact CD-SD 4.3Å; K246-M250 HydrophobicContact CG-CE 3.8Å; K246-M250 HydrophobicContact CG-CG 4.39Å; K246-M250 HydrophobicContact CG-SD 3.96Å; K246-M250 WeakPolarHBondContact O-CB 3.24Å; K246-M250 VanDerWaalsContact O-CG 3.25Å; K246-M250 WeakPolarHBondContact O-CG 3.24Å; K246-M250 PolarHBondContact O-N 2.85Å
247F91.3Very high87Confident120 Ų12088.8 Ų88.853%0.52643%0.426SS..Hα-helixtrans-57.3-52175.6170.7-97.7000111.5Y243 V244 V245 R249 M250 S251Y243-F247 PolarHBondContact O-N 3.34Å; V244-F247 WeakPolarHBondContact O-CB 3.28Å; V244-F247 PolarHBondContact O-N 3.21Å; V245-F247 VanDerWaalsContact C-N 3.34Å; F247-R249 VanDerWaalsContact C-N 3.33Å; F247-R249 PolarHBondContact O-N 3.23Å; F247-M250 PolarHBondContact O-N 3.02Å; F247-S251 VanDerWaalsContact O-CB 3.31Å; F247-S251 WeakPolarHBondContact O-CB 3.4Å; F247-S251 PolarHBondContact O-N 2.98Å; F247-S251 PolarHBondContact O-OG 2.96Å
248Y87.6Confident86.8Confident57 Ų5785.9 Ų85.922%0.22442%0.418CS..Hα-helixtrans-59.6-42.8179-84-67000112.2P234 A235 V244 V245 S251 T252P234-Y248 HydrophobicContact CB-CE1 4.49Å; P234-Y248 HydrophobicContact CB-CE2 4.04Å; A235-Y248 HydrophobicContact CB-CD2 4.02Å; A235-Y248 HydrophobicContact CB-CG 4.3Å; V244-Y248 HydrophobicContact CG1-CD2 3.58Å; V244-Y248 HydrophobicContact CG1-CE2 3.41Å; V244-Y248 VanDerWaalsContact CG1-CE2 3.41Å; V244-Y248 VanDerWaalsContact O-CD2 3.23Å; V244-Y248 WeakPolarHBondContact O-CD2 3.25Å; V244-Y248 PolarHBondContact O-N 3.22Å; V245-Y248 PolarHBondContact O-N 2.96Å; Y248-S251 WeakPolarHBondContact CA-OG 3.28Å; Y248-S251 PolarHBondContact O-N 2.92Å; Y248-S251 PolarHBondContact O-OG 2.8Å; Y248-T252 PolarHBondContact O-N 3.4Å; Y248-T252 PolarHBondContact O-OG1 3.45Å
249R87Confident86.9Confident210 Ų21085.2 Ų85.279%0.79241%0.413SS*.Hα-helixtrans-64.8-39.9177.1-172.1176.3-178.8173.30.6112.9V245 K246 F247 S251V245-R249 PolarHBondContact O-N 3.21Å; K246-R249 PolarHBondContact O-N 3.45Å; F247-R249 VanDerWaalsContact C-N 3.33Å; F247-R249 PolarHBondContact O-N 3.23Å; R249-S251 VanDerWaalsContact C-N 3.34Å
250M90.3Very high86.8Confident106 Ų10686.9 Ų86.952%0.52242%0.421SS..Hα-helixtrans-73.3-27.5176.6-68.5-176.7-50.900112.2K246 F247 P253 F254K246-M250 HydrophobicContact CB-CE 4.49Å; K246-M250 HydrophobicContact CD-CE 4.15Å; K246-M250 HydrophobicContact CD-SD 4.3Å; K246-M250 HydrophobicContact CG-CE 3.8Å; K246-M250 HydrophobicContact CG-CG 4.39Å; K246-M250 HydrophobicContact CG-SD 3.96Å; K246-M250 WeakPolarHBondContact O-CB 3.24Å; K246-M250 VanDerWaalsContact O-CG 3.25Å; K246-M250 WeakPolarHBondContact O-CG 3.24Å; K246-M250 PolarHBondContact O-N 2.85Å; F247-M250 PolarHBondContact O-N 3.02Å; M250-P253 WeakPolarHBondContact O-CD 3.44Å; M250-F254 WeakPolarHBondContact O-CD2 3.02Å
251S87.6Confident87.2Confident16 Ų1684.5 Ų84.511%0.11240%0.401CS..Hα-helixtrans-77.1-20.6179.376.60000114F247 Y248 R249 F254 R255F247-S251 VanDerWaalsContact O-CB 3.31Å; F247-S251 WeakPolarHBondContact O-CB 3.4Å; F247-S251 PolarHBondContact O-N 2.98Å; F247-S251 PolarHBondContact O-OG 2.96Å; Y248-S251 WeakPolarHBondContact CA-OG 3.28Å; Y248-S251 PolarHBondContact O-N 2.92Å; Y248-S251 PolarHBondContact O-OG 2.8Å; R249-S251 VanDerWaalsContact C-N 3.34Å; S251-F254 WeakPolarHBondContact O-CB 3.02Å; S251-F254 PolarHBondContact O-N 3.02Å; S251-R255 PolarHBondContact O-N 3.05Å; S251-R255 PolarHBondContact OG-NE 3.39Å
252T85.7Confident87.5Confident40 Ų4080.1 Ų80.125%0.24538%0.376CS..Hα-helixtrans-49.9-52.3-177.5-64.80000114Y248 F254 R255 M256 D372Y248-T252 PolarHBondContact O-N 3.4Å; Y248-T252 PolarHBondContact O-OG1 3.45Å; T252-F254 VanDerWaalsContact C-N 3.27Å; T252-F254 PolarHBondContact O-N 3.1Å; T252-R255 PolarHBondContact O-N 3.34Å; T252-R255 PolarHBondContact OG1-NH2 2.94Å; T252-M256 HydrophobicContact CG2-CG 4.34Å; T252-M256 VanDerWaalsContact O-CG 3.26Å; T252-M256 WeakPolarHBondContact O-CG 3.08Å; T252-M256 PolarHBondContact O-N 3.49Å; T252-D372 WeakPolarHBondContact CG2-OD2 3.29Å
253P86.1Confident87.7Confident73 Ų7376.9 Ų76.947%0.47436%0.361SS..Hα-helixtrans-60.1-35.9178.721.9-33.5000113M250 M256 Q257M250-P253 WeakPolarHBondContact O-CD 3.44Å; P253-M256 PolarHBondContact O-N 3.38Å; P253-Q257 WeakPolarHBondContact O-CG 3.32Å; P253-Q257 PolarHBondContact O-N 2.88Å; P253-Q257 VanDerWaalsContact O-N 3.14Å
254F84.1Confident87.8Confident142 Ų14270.4 Ų70.462%0.62334%0.339SS*.Hα-helixtrans-69.3-42.6176.9-61.4-80.3000111.8M250 S251 T252 M256 Q257 G258M250-F254 WeakPolarHBondContact O-CD2 3.02Å; S251-F254 WeakPolarHBondContact O-CB 3.02Å; S251-F254 PolarHBondContact O-N 3.02Å; T252-F254 VanDerWaalsContact C-N 3.27Å; T252-F254 PolarHBondContact O-N 3.1Å; F254-M256 VanDerWaalsContact C-N 3.26Å; F254-M256 PolarHBondContact O-N 2.97Å; F254-Q257 PolarHBondContact O-N 2.97Å; F254-Q257 VanDerWaalsContact O-N 3.14Å; F254-G258 PolarHBondContact O-N 2.75Å
255R82.5Confident88.1Confident34 Ų3468.8 Ų68.813%0.12833%0.329CS..Hα-helixtrans-65.2-30.1175.6-68.8-171-71.51207.7112.5S251 T252 M259 D372S251-R255 PolarHBondContact O-N 3.05Å; S251-R255 PolarHBondContact OG-NE 3.39Å; T252-R255 PolarHBondContact O-N 3.34Å; T252-R255 PolarHBondContact OG1-NH2 2.94Å; R255-M259 HydrophobicContact CB-CG 4.42Å; R255-M259 HydrophobicContact CB-SD 4.3Å; R255-M259 HydrophobicContact CG-CG 4.45Å; R255-M259 HydrophobicContact CG-SD 3.98Å; R255-D372 IonicContact CZ-OD1 3.49Å; R255-D372 IonicContact NH1-OD1 3.88Å; R255-D372 PolarHBondContact NH1-OD1 2.78Å; R255-D372 IonicContact NH2-OD1 2.58Å; R255-D372 PolarHBondContact NH2-OD1 3.41Å
256M79.6Confident88.4Confident85 Ų8569.7 Ų69.742%0.41933%0.333SS..Hα-helixtrans-72.3-30.9173.7-70.5-65.6-76.600112.9T252 P253 F254 D372T252-M256 HydrophobicContact CG2-CG 4.34Å; T252-M256 VanDerWaalsContact O-CG 3.26Å; T252-M256 WeakPolarHBondContact O-CG 3.08Å; T252-M256 PolarHBondContact O-N 3.49Å; P253-M256 PolarHBondContact O-N 3.38Å; F254-M256 VanDerWaalsContact C-N 3.26Å; F254-M256 PolarHBondContact O-N 2.97Å; M256-D372 HydrophobicContact CG-CB 4.45Å; M256-D372 HydrophobicContact SD-CB 3.73Å
257Q79Confident88.5Confident145 Ų14570.9 Ų70.968%0.67833%0.334SS*.Hα-helixtrans-73.5-32.4176.9-75.7177.8-900112.6P253 F254P253-Q257 WeakPolarHBondContact O-CG 3.32Å; P253-Q257 PolarHBondContact O-N 2.88Å; P253-Q257 VanDerWaalsContact O-N 3.14Å; F254-Q257 PolarHBondContact O-N 2.97Å; F254-Q257 VanDerWaalsContact O-N 3.14Å
258G81.1Confident88.4Confident29 Ų2966.5 Ų66.530%0.29932%0.317SS..  trans158.1150.6162.600000114.7F254 L368F254-G258 PolarHBondContact O-N 2.75Å; G258-L368 WeakPolarHBondContact CA-O 3.16Å
259M87.8Confident88.4Confident26 Ų2667.5 Ų67.513%0.12832%0.324CS..EExtended strand (participates in β ladder)trans-121.8145.8173.2-63-157.47400110R255 G367 L368 F371 H400 E401 F402R255-M259 HydrophobicContact CB-CG 4.42Å; R255-M259 HydrophobicContact CB-SD 4.3Å; R255-M259 HydrophobicContact CG-CG 4.45Å; R255-M259 HydrophobicContact CG-SD 3.98Å; M259-G367 CarbonylContact O-C 3.58Å; M259-L368 PolarHBondContact N-O 3.31Å; M259-L368 PolarHBondContact O-N 3.25Å; M259-F371 HydrophobicContact SD-CD1 3.72Å; M259-F371 HydrophobicContact SD-CE1 4.46Å; M259-H400 WeakPolarHBondContact CE-CE1 3.37Å; M259-E401 WeakPolarHBondContact CE-OE1 3.47Å; M259-F402 HydrophobicContact CE-CD2 4.11Å; M259-F402 HydrophobicContact CE-CE2 3.7Å; M259-F402 HydrophobicContact SD-CD2 4.09Å; M259-F402 HydrophobicContact SD-CE2 3.86Å
260Q88.9Confident88.5Confident105 Ų10561.7 Ų61.749%0.49131%0.309SS..EExtended strand (participates in β ladder)trans-92.6117.1-179.1-70.6176-13.700110.5H400Q260-H400 PolarHBondContact O-CD2 3.46Å
261A92.9Very high88.4Confident1 Ų157.3 Ų57.31%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-97.9136.317000000110.5Q365 I366 L368 H400A261-Q365 CarbonylContact O-C 3.19Å; A261-Q365 WeakPolarHBondContact O-CA 3.41Å; A261-I366 HydrophobicContact CB-CG1 4.03Å; A261-I366 PolarHBondContact N-O 3.49Å; A261-I366 PolarHBondContact O-N 3.27Å; A261-L368 HydrophobicContact CB-CD1 3.81Å; A261-L368 HydrophobicContact CB-CD2 4.03Å; A261-L368 HydrophobicContact CB-CG 3.85Å; A261-H400 HydrophobicContact CB-CB 4.5Å
262H94.3Very high88.4Confident41 Ų4157.5 Ų57.519%0.1929%0.288CS..EExtended strand (participates in β ladder)trans-86.6133.9176.2-60-87.1000110Q365 T398 Y399H262-Q365 PolarHBondContact CE1-NE2 2.91Å; H262-T398 CarbonylContact O-C 3.59Å; H262-T398 WeakPolarHBondContact O-CA 3.32Å; H262-Y399 PolarHBondContact N-O 3.4Å; H262-Y399 PolarHBondContact O-N 3.32Å
263V95.2Very high88.6Confident0 Ų060.3 Ų60.30%030%0.301CS..EExtended strand (participates in β ladder)trans-116112.5173-174.60000107.2L287 R363 F364 I366 V396 T398V263-L287 HydrophobicContact CG1-CD1 3.95Å; V263-L287 HydrophobicContact CG2-CD1 4.22Å; V263-R363 CarbonylContact O-C 3.42Å; V263-R363 VanDerWaalsContact O-CA 3.22Å; V263-R363 WeakPolarHBondContact O-CA 3.37Å; V263-F364 HydrophobicContact CB-CD1 4.15Å; V263-F364 HydrophobicContact CB-CD2 4.13Å; V263-F364 HydrophobicContact CB-CE1 3.76Å; V263-F364 HydrophobicContact CB-CE2 3.74Å; V263-F364 HydrophobicContact CB-CG 4.33Å; V263-F364 HydrophobicContact CB-CZ 3.56Å; V263-F364 HydrophobicContact CG1-CD1 4.4Å; V263-F364 HydrophobicContact CG1-CE1 3.58Å; V263-F364 HydrophobicContact CG1-CE2 4.09Å; V263-F364 HydrophobicContact CG1-CZ 3.41Å; V263-F364 VanDerWaalsContact CG1-CZ 3.41Å; V263-F364 HydrophobicContact CG2-CD2 4.46Å; V263-F364 HydrophobicContact CG2-CE2 3.94Å; V263-F364 HydrophobicContact CG2-CZ 4.13Å; V263-F364 PolarHBondContact N-O 3.49Å; V263-F364 PolarHBondContact O-N 2.82Å; V263-I366 HydrophobicContact CG2-CD1 3.86Å; V263-I366 HydrophobicContact CG2-CG1 3.99Å; V263-I366 HydrophobicContact CG2-CG2 4.17Å; V263-V396 HydrophobicContact CG1-CG1 3.4Å; V263-V396 VanDerWaalsContact CG1-CG1 3.4Å; V263-T398 HydrophobicContact CG2-CG2 4.32Å
264V95.5Very high88.8Confident35 Ų3559 Ų5921%0.21229%0.294CS..EExtended strand (participates in β ladder)trans-103128.1-177.5-175.10000108.9R363 V396 T397V264-R363 HydrophobicContact CB-CB 4.41Å; V264-R363 HydrophobicContact CG2-CB 3.91Å; V264-V396 CarbonylContact O-C 3.56Å; V264-V396 WeakPolarHBondContact O-CA 3.26Å; V264-T397 WeakPolarHBondContact CB-OG1 3.25Å; V264-T397 PolarHBondContact N-O 3.44Å; V264-T397 PolarHBondContact O-N 3.33Å
265I96.1Very high89.1Confident0 Ų060.6 Ų60.60%030%0.3CS..EExtended strand (participates in β ladder)trans-101.6105.5173.2-66.1179.2000107.2P268 L280 L283 A361 F362 F364 L394 V396I265-P268 HydrophobicContact CG2-CB 4.19Å; I265-L280 HydrophobicContact CD1-CD1 3.19Å; I265-L283 HydrophobicContact CD1-CD2 4.36Å; I265-A361 VanDerWaalsContact O-CA 3.25Å; I265-A361 WeakPolarHBondContact O-CA 3.5Å; I265-A361 WeakPolarHBondContact O-CB 3.3Å; I265-F362 HydrophobicContact CB-CD2 4.47Å; I265-F362 HydrophobicContact CB-CE1 4.23Å; I265-F362 HydrophobicContact CB-CE2 4.18Å; I265-F362 HydrophobicContact CB-CZ 4.04Å; I265-F362 HydrophobicContact CD1-CD2 4.5Å; I265-F362 HydrophobicContact CD1-CE1 4.34Å; I265-F362 HydrophobicContact CD1-CE2 3.51Å; I265-F362 HydrophobicContact CD1-CZ 3.4Å; I265-F362 VanDerWaalsContact CD1-CZ 3.4Å; I265-F362 HydrophobicContact CG1-CE2 4.15Å; I265-F362 HydrophobicContact CG1-CZ 4.2Å; I265-F362 HydrophobicContact CG2-CE1 4.17Å; I265-F362 HydrophobicContact CG2-CZ 4.24Å; I265-F362 PolarHBondContact N-O 3.24Å; I265-F362 PolarHBondContact O-N 3.42Å; I265-F362 VanDerWaalsContact O-N 3.16Å; I265-F364 HydrophobicContact CD1-CD1 4.43Å; I265-F364 HydrophobicContact CD1-CE1 3.81Å; I265-F364 HydrophobicContact CG1-CE1 4.25Å; I265-L394 HydrophobicContact CG2-CB 4.32Å; I265-L394 HydrophobicContact CG2-CD2 4.2Å; I265-V396 HydrophobicContact CG1-CG1 4.45Å; I265-V396 HydrophobicContact CG1-CG2 4.26Å
266N93.7Very high89.6Confident59 Ų5960.8 Ų60.832%0.31630%0.304SS..SBendtrans-82.2-18.8-176.2-63.3-64.2000113N395 T397N266-N395 HydrophobicContact CB-CB 4.21Å; N266-N395 WeakPolarHBondContact CB-O 3.37Å; N266-N395 PolarHBondContact N-O 2.99Å; N266-N395 PolarHBondContact ND2-O 3.03Å; N266-T397 WeakPolarHBondContact ND2-CG2 3.44Å; N266-T397 PolarHBondContact ND2-OG1 3.03Å
267R91.7Very high90.1Very high165 Ų16557.5 Ų57.562%0.62329%0.287SS*.SBendtrans-134.176.4177.6-68.6-172.8-173.7167.12.4110.1Q269 L394 N395R267-Q269 PolarHBondContact O-N 3.08Å; R267-L394 PolarHBondContact N-O 2.89Å; R267-L394 VanDerWaalsContact N-O 3.13Å; R267-N395 HydrophobicContact CB-CB 4.3Å; R267-N395 HydrophobicContact CG-CB 4.14Å
268P90Very high90.8Very high27 Ų2754.5 Ų54.518%0.17528%0.275CS..  trans-63.6128.8175.430.7-35.5000109.1I265 I359 K360 F362I265-P268 HydrophobicContact CG2-CB 4.19Å; P268-I359 HydrophobicContact CG-CB 4.49Å; P268-I359 HydrophobicContact CG-CG2 4.08Å; P268-I359 WeakPolarHBondContact CG-O 3.38Å; P268-K360 WeakPolarHBondContact CD-O 3.26Å; P268-F362 HydrophobicContact CB-CD1 3.89Å; P268-F362 HydrophobicContact CB-CE1 3.61Å; P268-F362 HydrophobicContact CG-CD1 4.48Å
269Q88.3Confident91.3Very high79 Ų7957.7 Ų57.737%0.36928%0.278SS..  trans-74.7161.3173.5-63.5-63.6-36.400109.8R267 L271 N276 E393 L394R267-Q269 PolarHBondContact O-N 3.08Å; Q269-L271 PolarHBondContact O-N 2.81Å; Q269-N276 HydrophobicContact CB-CB 4Å; Q269-E393 PolarHBondContact NE2-O 3.41Å; Q269-L394 HydrophobicContact CG-CD2 3.86Å
270N87.4Confident91.6Very high88 Ų8856.7 Ų56.747%0.47127%0.273SS..  trans-59.1112.9179-174.5-11.3000110.8T272 L273 N276N270-T272 PolarHBondContact O-N 3.37Å; N270-T272 VanDerWaalsContact OD1-CB 3.24Å; N270-T272 WeakPolarHBondContact OD1-CB 3.31Å; N270-T272 PolarHBondContact OD1-N 2.91Å; N270-T272 PolarHBondContact OD1-OG1 3.25Å; N270-L273 PolarHBondContact O-N 3.36Å; N270-N276 WeakPolarHBondContact O-CB 3.37Å; N270-N276 PolarHBondContact O-ND2 3.36Å
271L88.7Confident91.8Very high14 Ų1453.9 Ų53.97%0.07326%0.26CS..THydrogen-bonded Turntrans-71.6-14-177.4-63.6178.8000113.3Q269 L273 R277 L280 L303 W324 I359Q269-L271 PolarHBondContact O-N 2.81Å; L271-L273 PolarHBondContact O-N 3.23Å; L271-R277 HydrophobicContact CD2-CG 4.46Å; L271-R277 VanDerWaalsContact O-CD 3.26Å; L271-R277 WeakPolarHBondContact O-CD 3.37Å; L271-R277 VanDerWaalsContact O-CG 3.29Å; L271-R277 WeakPolarHBondContact O-CG 3.32Å; L271-R277 PolarHBondContact O-NH1 3.31Å; L271-L280 HydrophobicContact CD2-CD2 4.07Å; L271-L303 HydrophobicContact CD1-CD1 4.49Å; L271-W324 HydrophobicContact CB-CB 4.12Å; L271-W324 HydrophobicContact CB-CD2 4.21Å; L271-W324 HydrophobicContact CB-CE3 4.17Å; L271-W324 HydrophobicContact CB-CG 4.21Å; L271-I359 HydrophobicContact CD1-CD1 3.96Å
272T88.4Confident91.8Very high19 Ų1956.1 Ų56.112%0.11727%0.271CS..THydrogen-bonded Turntrans-61.7-30173.9-49.80000111.9N270 R277 N319 N321N270-T272 PolarHBondContact O-N 3.37Å; N270-T272 VanDerWaalsContact OD1-CB 3.24Å; N270-T272 WeakPolarHBondContact OD1-CB 3.31Å; N270-T272 PolarHBondContact OD1-N 2.91Å; N270-T272 PolarHBondContact OD1-OG1 3.25Å; T272-R277 PolarHBondContact O-NH1 2.93Å; T272-N319 HydrophobicContact CG2-CB 4.46Å; T272-N319 WeakPolarHBondContact CG2-O 3.39Å; T272-N319 WeakPolarHBondContact O-CB 3.24Å; T272-N319 PolarHBondContact O-OD1 2.92Å; T272-N319 VanDerWaalsContact O-OD1 3.12Å; T272-N321 PolarHBondContact OG1-OD1 3.43Å
273L90.4Very high91.8Very high99 Ų9954.1 Ų54.152%0.51826%0.262SS..SBendtrans-83.9120.8178.9-66.4170.5000111.2N270 L271 K275 N276 R277N270-L273 PolarHBondContact O-N 3.36Å; L271-L273 PolarHBondContact O-N 3.23Å; L273-K275 VanDerWaalsContact C-N 3.28Å; L273-K275 PolarHBondContact O-N 3.36Å; L273-N276 HydrophobicContact CB-CB 4.32Å; L273-N276 WeakPolarHBondContact O-CB 3.27Å; L273-N276 PolarHBondContact O-N 3.46Å; L273-R277 PolarHBondContact O-N 3.39Å
274S88.8Confident91.7Very high47 Ų4754.4 Ų54.433%0.32926%0.264SS..Hα-helixtrans-53.8-44178.4-164.20000112.7N276 R277 D278S274-N276 PolarHBondContact O-N 2.81Å; S274-N276 VanDerWaalsContact O-N 3.16Å; S274-R277 WeakPolarHBondContact O-CA 3.26Å; S274-R277 WeakPolarHBondContact O-CB 3.13Å; S274-R277 PolarHBondContact O-N 2.93Å; S274-R277 PolarHBondContact OG-NH2 3.36Å; S274-D278 PolarHBondContact O-N 3.08Å; S274-D278 VanDerWaalsContact O-OD2 3.08Å; S274-D278 PolarHBondContact OG-OD2 3.43Å
275K91.7Very high91.6Very high174 Ų17460.3 Ų60.376%0.75728%0.282SS*.Hα-helixtrans-55.4-36.7179.1-171.9179.3-179.9-178.30113.1L273 R279L273-K275 VanDerWaalsContact C-N 3.28Å; L273-K275 PolarHBondContact O-N 3.36Å; K275-R279 WeakPolarHBondContact O-CB 3.36Å; K275-R279 PolarHBondContact O-N 2.92Å
276N92Very high91.4Very high38 Ų3862.9 Ų62.920%0.20329%0.294CS..Hα-helixtrans-73.8-37.3179-68-10.4000111.4Q269 N270 L273 S274 L280Q269-N276 HydrophobicContact CB-CB 4Å; N270-N276 WeakPolarHBondContact O-CB 3.37Å; N270-N276 PolarHBondContact O-ND2 3.36Å; L273-N276 HydrophobicContact CB-CB 4.32Å; L273-N276 WeakPolarHBondContact O-CB 3.27Å; L273-N276 PolarHBondContact O-N 3.46Å; S274-N276 PolarHBondContact O-N 2.81Å; S274-N276 VanDerWaalsContact O-N 3.16Å; N276-L280 WeakPolarHBondContact O-CB 3.2Å; N276-L280 PolarHBondContact O-N 3.41Å
277R91.1Very high91.4Very high17 Ų1760.1 Ų60.16%0.06428%0.28CS..Hα-helixtrans-64.2-48172.8-59.8-168.9-61.1-94.14.4110.6L271 T272 L273 S274 R279 L280 F281 N319L271-R277 HydrophobicContact CD2-CG 4.46Å; L271-R277 VanDerWaalsContact O-CD 3.26Å; L271-R277 WeakPolarHBondContact O-CD 3.37Å; L271-R277 VanDerWaalsContact O-CG 3.29Å; L271-R277 WeakPolarHBondContact O-CG 3.32Å; L271-R277 PolarHBondContact O-NH1 3.31Å; T272-R277 PolarHBondContact O-NH1 2.93Å; L273-R277 PolarHBondContact O-N 3.39Å; S274-R277 WeakPolarHBondContact O-CA 3.26Å; S274-R277 WeakPolarHBondContact O-CB 3.13Å; S274-R277 PolarHBondContact O-N 2.93Å; S274-R277 PolarHBondContact OG-NH2 3.36Å; R277-R279 VanDerWaalsContact C-N 3.28Å; R277-R279 PolarHBondContact O-N 2.83Å; R277-L280 WeakPolarHBondContact O-CB 3.36Å; R277-L280 PolarHBondContact O-N 2.95Å; R277-L280 VanDerWaalsContact O-N 3.07Å; R277-F281 WeakPolarHBondContact O-CD2 3.22Å; R277-F281 PolarHBondContact O-N 2.96Å; R277-N319 PolarHBondContact NH1-OD1 3.43Å; R277-N319 VanDerWaalsContact NH1-OD1 3.12Å; R277-N319 PolarHBondContact NH2-OD1 2.94Å
278D92Very high91.3Very high82 Ų8253.6 Ų53.644%0.43926%0.256SS..Hα-helixtrans-58-43.5178.6-61.4-33.8000110.6S274 L280 F281 D282S274-D278 PolarHBondContact O-N 3.08Å; S274-D278 VanDerWaalsContact O-OD2 3.08Å; S274-D278 PolarHBondContact OG-OD2 3.43Å; D278-L280 VanDerWaalsContact C-N 3.35Å; D278-L280 PolarHBondContact O-N 3.43Å; D278-F281 CarbonylContact O-C 3.57Å; D278-F281 PolarHBondContact O-N 3.03Å; D278-D282 PolarHBondContact O-N 3.02Å
279R92.6Very high91Very high95 Ų9556.1 Ų56.136%0.35827%0.265SS..Hα-helixtrans-63.1-37.6176-16666.3176.5153.24.2113.4K275 R277 D282 L283 Y391 E393K275-R279 WeakPolarHBondContact O-CB 3.36Å; K275-R279 PolarHBondContact O-N 2.92Å; R277-R279 VanDerWaalsContact C-N 3.28Å; R277-R279 PolarHBondContact O-N 2.83Å; R279-D282 IonicContact NH1-OD2 3.61Å; R279-D282 WeakPolarHBondContact O-CB 3.09Å; R279-D282 PolarHBondContact O-N 3.41Å; R279-L283 PolarHBondContact O-N 3.46Å; R279-L283 VanDerWaalsContact O-N 3.08Å; R279-Y391 HydrophobicContact CG-CD1 4.14Å; R279-Y391 HydrophobicContact CG-CE1 4.02Å; R279-Y391 VanDerWaalsContact NE-CE1 3.32Å; R279-E393 IonicContact NE-OE1 2.72Å; R279-E393 PolarHBondContact NE-OE1 3.5Å
280L93.2Very high90.3Very high6 Ų660.5 Ų60.53%0.03128%0.283CS..Hα-helixtrans-67.5-39.3174.6175.760.2000111.6I265 L271 N276 R277 D278 L283 L284 F301 L303 F362 L394I265-L280 HydrophobicContact CD1-CD1 3.19Å; L271-L280 HydrophobicContact CD2-CD2 4.07Å; N276-L280 WeakPolarHBondContact O-CB 3.2Å; N276-L280 PolarHBondContact O-N 3.41Å; R277-L280 WeakPolarHBondContact O-CB 3.36Å; R277-L280 PolarHBondContact O-N 2.95Å; R277-L280 VanDerWaalsContact O-N 3.07Å; D278-L280 VanDerWaalsContact C-N 3.35Å; D278-L280 PolarHBondContact O-N 3.43Å; L280-L283 PolarHBondContact O-N 2.93Å; L280-L284 PolarHBondContact O-N 3.49Å; L280-F301 HydrophobicContact CD2-CZ 4.08Å; L280-F301 HydrophobicContact CG-CZ 4.39Å; L280-L303 HydrophobicContact CD2-CD2 3.59Å; L280-F362 HydrophobicContact CD1-CZ 4.13Å; L280-F362 HydrophobicContact CD2-CZ 3.85Å; L280-L394 HydrophobicContact CD1-CD1 4.5Å
281F93.5Very high90.1Very high45 Ų4561.5 Ų61.520%0.19729%0.289CS..Hα-helixtrans-73-27173.5-77-71.3000112.9R277 D278 L284 R285 F301 L303 L307R277-F281 WeakPolarHBondContact O-CD2 3.22Å; R277-F281 PolarHBondContact O-N 2.96Å; D278-F281 CarbonylContact O-C 3.57Å; D278-F281 PolarHBondContact O-N 3.03Å; F281-L284 HydrophobicContact CD1-CD2 4.02Å; F281-L284 HydrophobicContact CE1-CD2 4.21Å; F281-L284 PolarHBondContact O-N 2.86Å; F281-R285 WeakPolarHBondContact O-CB 3.49Å; F281-R285 VanDerWaalsContact O-CG 3.24Å; F281-R285 WeakPolarHBondContact O-CG 3.38Å; F281-R285 PolarHBondContact O-N 3.42Å; F281-R285 PolarHBondContact O-NE 3.32Å; F281-F301 HydrophobicContact CE1-CE1 4.34Å; F281-L303 HydrophobicContact CE2-CD2 3.92Å; F281-L303 HydrophobicContact CE2-CG 4.42Å; F281-L303 HydrophobicContact CZ-CD2 3.91Å; F281-L303 HydrophobicContact CZ-CG 4.08Å; F281-L307 HydrophobicContact CE1-CD1 4.36Å; F281-L307 HydrophobicContact CE2-CD1 3.62Å; F281-L307 HydrophobicContact CZ-CD1 3.36Å
282D93.3Very high89.9Confident48 Ų4864.6 Ų64.626%0.25730%0.3SS..Hα-helixtrans-62.4-50.1168.4-67.5-21.3000110.7D278 R279 L284 R285 E286 Y391D278-D282 PolarHBondContact O-N 3.02Å; R279-D282 IonicContact NH1-OD2 3.61Å; R279-D282 WeakPolarHBondContact O-CB 3.09Å; R279-D282 PolarHBondContact O-N 3.41Å; D282-L284 VanDerWaalsContact C-N 3.3Å; D282-L284 PolarHBondContact O-N 2.99Å; D282-R285 PolarHBondContact O-N 2.75Å; D282-R285 IonicContact OD1-CZ 3.14Å; D282-R285 IonicContact OD1-NE 2.67Å; D282-R285 IonicContact OD1-NH2 2.74Å; D282-R285 PolarHBondContact OD1-NH2 2.9Å; D282-E286 PolarHBondContact O-N 3.36Å; D282-Y391 HydrophobicContact CB-CE1 4.42Å; D282-Y391 WeakPolarHBondContact CB-OH 3.46Å
283L94Very high89.9Confident0 Ų064 Ų640%030%0.296CS..Hα-helixtrans-55.7-47.6174.2169.868.5000110.6I265 R279 L280 R285 E286 L287 T387 Y391 L394 V396I265-L283 HydrophobicContact CD1-CD2 4.36Å; R279-L283 PolarHBondContact O-N 3.46Å; R279-L283 VanDerWaalsContact O-N 3.08Å; L280-L283 PolarHBondContact O-N 2.93Å; L283-R285 VanDerWaalsContact C-N 3.35Å; L283-R285 PolarHBondContact O-N 3.16Å; L283-E286 PolarHBondContact O-N 2.95Å; L283-L287 HydrophobicContact CD1-CD1 3.86Å; L283-L287 HydrophobicContact CD1-CG 4.09Å; L283-L287 HydrophobicContact CG-CD1 3.88Å; L283-L287 HydrophobicContact CG-CG 4.45Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.4Å; L283-L287 PolarHBondContact O-N 3.2Å; L283-T387 HydrophobicContact CD1-CG2 4.48Å; L283-Y391 HydrophobicContact CB-CD1 4.14Å; L283-Y391 HydrophobicContact CB-CD2 4.3Å; L283-Y391 HydrophobicContact CB-CE1 3.94Å; L283-Y391 HydrophobicContact CB-CE2 4.17Å; L283-Y391 HydrophobicContact CB-CG 4.31Å; L283-Y391 HydrophobicContact CD1-CD2 3.61Å; L283-Y391 HydrophobicContact CD1-CE2 3.92Å; L283-Y391 HydrophobicContact CD1-CG 4.09Å; L283-Y391 HydrophobicContact CG-CD2 4.5Å; L283-L394 HydrophobicContact CD2-CD1 3.78Å; L283-V396 HydrophobicContact CD2-CG1 4.5Å; L283-V396 HydrophobicContact CD2-CG2 3.8Å
284L93.7Very high89.9Confident6 Ų662.8 Ų62.83%0.03129%0.29CS..Hα-helixtrans-60.1-45.3179.3-179.663.5000111.6L280 F281 D282 E286 L287 E288 T299 F301 F364L280-L284 PolarHBondContact O-N 3.49Å; F281-L284 HydrophobicContact CD1-CD2 4.02Å; F281-L284 HydrophobicContact CE1-CD2 4.21Å; F281-L284 PolarHBondContact O-N 2.86Å; D282-L284 VanDerWaalsContact C-N 3.3Å; D282-L284 PolarHBondContact O-N 2.99Å; L284-E286 VanDerWaalsContact C-N 3.33Å; L284-E286 PolarHBondContact O-N 2.98Å; L284-L287 PolarHBondContact O-N 3.48Å; L284-L287 VanDerWaalsContact O-N 3.15Å; L284-E288 HydrophobicContact CD1-CG 4.13Å; L284-E288 HydrophobicContact CG-CG 4.3Å; L284-E288 WeakPolarHBondContact O-CB 3.48Å; L284-E288 VanDerWaalsContact O-CG 3.3Å; L284-E288 WeakPolarHBondContact O-CG 3.34Å; L284-E288 PolarHBondContact O-N 2.75Å; L284-T299 HydrophobicContact CD1-CG2 3.65Å; L284-F301 HydrophobicContact CD2-CD1 3.77Å; L284-F301 HydrophobicContact CD2-CE1 4.23Å; L284-F364 HydrophobicContact CD1-CD2 4.1Å; L284-F364 HydrophobicContact CD1-CE2 3.57Å; L284-F364 HydrophobicContact CD1-CZ 4.23Å
285R93.1Very high89.9Confident159 Ų15961 Ų6160%0.628%0.278SS*.Hα-helixtrans-62.1-38.9177.2-76.2-176.4-72.4176.2-9.8112.6F281 D282 L283 L287 E288F281-R285 WeakPolarHBondContact O-CB 3.49Å; F281-R285 VanDerWaalsContact O-CG 3.24Å; F281-R285 WeakPolarHBondContact O-CG 3.38Å; F281-R285 PolarHBondContact O-N 3.42Å; F281-R285 PolarHBondContact O-NE 3.32Å; D282-R285 PolarHBondContact O-N 2.75Å; D282-R285 IonicContact OD1-CZ 3.14Å; D282-R285 IonicContact OD1-NE 2.67Å; D282-R285 IonicContact OD1-NH2 2.74Å; D282-R285 PolarHBondContact OD1-NH2 2.9Å; L283-R285 VanDerWaalsContact C-N 3.35Å; L283-R285 PolarHBondContact O-N 3.16Å; R285-L287 VanDerWaalsContact C-N 3.35Å; R285-E288 PolarHBondContact O-N 2.92Å
286E92Very high89.8Confident54 Ų5455.1 Ų55.125%0.25226%0.26SS..Hα-helixtrans-68.8-33174.7-72.8-171.4-133.700112.4D282 L283 L284 H289 T387 R390 Y391D282-E286 PolarHBondContact O-N 3.36Å; L283-E286 PolarHBondContact O-N 2.95Å; L284-E286 VanDerWaalsContact C-N 3.33Å; L284-E286 PolarHBondContact O-N 2.98Å; E286-H289 WeakPolarHBondContact O-CB 3.43Å; E286-T387 HydrophobicContact CB-CG2 3.52Å; E286-R390 IonicContact OE2-CZ 2.63Å; E286-R390 IonicContact OE2-NH1 3.37Å; E286-R390 PolarHBondContact OE2-NH1 3.47Å; E286-Y391 PolarHBondContact OE1-OH 3.39Å
287L92.6Very high89.4Confident1 Ų161 Ų611%0.00529%0.291CS..Hα-helixtrans-74.6-33.6175.1-69.9171000112.2V263 L283 L284 R285 H289 T293 F364 I366 L384 T387 V388V263-L287 HydrophobicContact CG1-CD1 3.95Å; V263-L287 HydrophobicContact CG2-CD1 4.22Å; L283-L287 HydrophobicContact CD1-CD1 3.86Å; L283-L287 HydrophobicContact CD1-CG 4.09Å; L283-L287 HydrophobicContact CG-CD1 3.88Å; L283-L287 HydrophobicContact CG-CG 4.45Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.4Å; L283-L287 PolarHBondContact O-N 3.2Å; L284-L287 PolarHBondContact O-N 3.48Å; L284-L287 VanDerWaalsContact O-N 3.15Å; R285-L287 VanDerWaalsContact C-N 3.35Å; L287-H289 PolarHBondContact O-N 2.83Å; L287-H289 VanDerWaalsContact O-N 3.14Å; L287-T293 WeakPolarHBondContact O-CG2 3.3Å; L287-T293 PolarHBondContact O-OG1 3.42Å; L287-F364 HydrophobicContact CD1-CE2 4.13Å; L287-F364 HydrophobicContact CD1-CZ 3.77Å; L287-I366 HydrophobicContact CB-CD1 4.42Å; L287-L384 HydrophobicContact CD2-CD2 3.71Å; L287-T387 HydrophobicContact CD2-CG2 3.9Å; L287-T387 HydrophobicContact CG-CG2 4.18Å; L287-V388 HydrophobicContact CD2-CG2 4.35Å
288E91.2Very high89.3Confident28 Ų2860.9 Ų60.913%0.13130%0.295CS..THydrogen-bonded Turntrans-75.212.4174.9-72.3-179.1171.600113.6L284 R285 K290 T293 S296 T299L284-E288 HydrophobicContact CD1-CG 4.13Å; L284-E288 HydrophobicContact CG-CG 4.3Å; L284-E288 WeakPolarHBondContact O-CB 3.48Å; L284-E288 VanDerWaalsContact O-CG 3.3Å; L284-E288 WeakPolarHBondContact O-CG 3.34Å; L284-E288 PolarHBondContact O-N 2.75Å; R285-E288 PolarHBondContact O-N 2.92Å; E288-K290 PolarHBondContact O-N 3.06Å; E288-T293 WeakPolarHBondContact CA-OG1 3.36Å; E288-T293 PolarHBondContact O-OG1 3.2Å; E288-S296 WeakPolarHBondContact OE1-CA 3.44Å; E288-S296 WeakPolarHBondContact OE2-CB 3.48Å; E288-T299 VanDerWaalsContact CG-OG1 3.31Å; E288-T299 WeakPolarHBondContact CG-OG1 3.46Å; E288-T299 WeakPolarHBondContact OE1-CB 3.48Å; E288-T299 WeakPolarHBondContact OE1-CG2 3.48Å; E288-T299 PolarHBondContact OE1-OG1 3.26Å
289H82.2Confident89.3Confident80 Ų8057.6 Ų57.637%0.3728%0.278SS..  trans-56.8129.5177.5-17365.2000111.2E286 L287 D291 T293E286-H289 WeakPolarHBondContact O-CB 3.43Å; L287-H289 PolarHBondContact O-N 2.83Å; L287-H289 VanDerWaalsContact O-N 3.14Å; H289-D291 VanDerWaalsContact C-N 3.26Å; H289-D291 IonicContact CD2-OD2 3.11Å; H289-D291 PolarHBondContact CD2-OD2 3.4Å; H289-D291 IonicContact CE1-OD2 2.72Å; H289-D291 IonicContact NE2-OD1 2.93Å; H289-D291 IonicContact NE2-OD2 3.97Å; H289-D291 PolarHBondContact NE2-OD2 3.04Å; H289-D291 PolarHBondContact O-N 3.18Å; H289-D291 VanDerWaalsContact O-N 3.15Å; H289-T293 PolarHBondContact O-N 3.06Å; H289-T293 PolarHBondContact O-OG1 3.34Å
290K74Confident89.3Confident171 Ų17156.2 Ų56.274%0.74328%0.277SS*.THydrogen-bonded Turntrans-67.3-18.9-163.5-71.7-174.7178.1179.90115.3E288 Y292E288-K290 PolarHBondContact O-N 3.06Å; K290-Y292 PolarHBondContact O-N 3.29Å
291D82.8Confident89.3Confident109 Ų10956 Ų5658%0.58328%0.276SS*.THydrogen-bonded Turntrans-69.5-35.8-172.7-65.1-19000112.1H289H289-D291 VanDerWaalsContact C-N 3.26Å; H289-D291 IonicContact CD2-OD2 3.11Å; H289-D291 PolarHBondContact CD2-OD2 3.4Å; H289-D291 IonicContact CE1-OD2 2.72Å; H289-D291 IonicContact NE2-OD1 2.93Å; H289-D291 IonicContact NE2-OD2 3.97Å; H289-D291 PolarHBondContact NE2-OD2 3.04Å; H289-D291 PolarHBondContact O-N 3.18Å; H289-D291 VanDerWaalsContact O-N 3.15Å
292Y85.3Confident89.3Confident78 Ų7853.9 Ų53.931%0.30627%0.267SS..THydrogen-bonded Turntrans-121.8-5.4-173.3-62.9-62000113.9K290 L368 K369 A379 V380 H383K290-Y292 PolarHBondContact O-N 3.29Å; Y292-L368 WeakPolarHBondContact O-CA 3.34Å; Y292-K369 PolarHBondContact O-N 2.9Å; Y292-A379 HydrophobicContact CE1-CB 4.24Å; Y292-V380 HydrophobicContact CD1-CG2 3.58Å; Y292-V380 HydrophobicContact CE1-CG2 4.38Å; Y292-V380 HydrophobicContact CG-CG2 4.07Å; Y292-H383 HydrophobicContact CD2-CB 3.9Å; Y292-H383 AromaticContact CD2-CD2 3.81Å; Y292-H383 AromaticContact CD2-CG 3.66Å; Y292-H383 HydrophobicContact CE2-CB 3.99Å; Y292-H383 AromaticContact CE2-CG 3.9Å
293T88.9Confident89.2Confident6 Ų651.6 Ų51.64%0.03725%0.254CS..BIsolated β-bridgetrans-127.5162-178.372.50000111.5L287 E288 H289 G295 G367 L368L287-T293 WeakPolarHBondContact O-CG2 3.3Å; L287-T293 PolarHBondContact O-OG1 3.42Å; E288-T293 WeakPolarHBondContact CA-OG1 3.36Å; E288-T293 PolarHBondContact O-OG1 3.2Å; H289-T293 PolarHBondContact O-N 3.06Å; H289-T293 PolarHBondContact O-OG1 3.34Å; T293-G295 PolarHBondContact O-N 3.09Å; T293-G295 PolarHBondContact OG1-N 3.4Å; T293-G367 CarbonylContact C-O 3.53Å; T293-G367 WeakPolarHBondContact CA-O 3.27Å; T293-G367 WeakPolarHBondContact CB-O 3.29Å; T293-L368 HydrophobicContact CG2-CD2 4.34Å
294L88.8Confident89.1Confident74 Ų7453.8 Ų53.839%0.38726%0.264SS..  trans-76.26.7173.4-63.3174.4000112.4G367 K369L294-G367 PolarHBondContact N-O 3.5Å; L294-K369 HydrophobicContact CD2-CB 4.09Å; L294-K369 HydrophobicContact CD2-CD 4.42Å; L294-K369 HydrophobicContact CD2-CG 4.29Å
295G89.1Confident88.9Confident9 Ų957.3 Ų57.39%0.09328%0.28CS..G310 helixtrans63.3-160.3-174.100000112.8T293 N297 G298T293-G295 PolarHBondContact O-N 3.09Å; T293-G295 PolarHBondContact OG1-N 3.4Å; G295-N297 PolarHBondContact O-N 2.94Å; G295-G298 PolarHBondContact O-N 2.94Å
296S89.2Confident88.8Confident52 Ų5249.9 Ų49.936%0.36425%0.252SS..G310 helixtrans-51.6-25.6-178.9153.70000115.2E288 G298 K304E288-S296 WeakPolarHBondContact OE1-CA 3.44Å; E288-S296 WeakPolarHBondContact OE2-CB 3.48Å; S296-G298 VanDerWaalsContact C-N 3.35Å; S296-K304 PolarHBondContact O-NZ 2.97Å; S296-K304 PolarHBondContact OG-NZ 2.84Å
297N85.5Confident88.8Confident161 Ų16149 Ų4986%0.86125%0.249SC*.G310 helixtrans-75.3-24.2178.8-68.1-0.1000112.9G295G295-N297 PolarHBondContact O-N 2.94Å
298G88.2Confident88.7Confident14 Ų1452.3 Ų52.314%0.14427%0.267CS..G310 helixtrans-92.6-3.4176.100000113.8G295 S296 I366 G367G295-G298 PolarHBondContact O-N 2.94Å; S296-G298 VanDerWaalsContact C-N 3.35Å; G298-I366 CarbonylContact O-C 3.53Å; G298-G367 PolarHBondContact O-N 2.97Å
299T92.3Very high88.7Confident13 Ų1355 Ų558%0.0828%0.276CS..  trans-89.3123.9-177.6-57.20000110.7L284 E288 F301 F364 Q365 I366L284-T299 HydrophobicContact CD1-CG2 3.65Å; E288-T299 VanDerWaalsContact CG-OG1 3.31Å; E288-T299 WeakPolarHBondContact CG-OG1 3.46Å; E288-T299 WeakPolarHBondContact OE1-CB 3.48Å; E288-T299 WeakPolarHBondContact OE1-CG2 3.48Å; E288-T299 PolarHBondContact OE1-OG1 3.26Å; T299-F301 HydrophobicContact CG2-CB 3.98Å; T299-F364 HydrophobicContact CG2-CD2 4.43Å; T299-Q365 CarbonylContact C-O 3.5Å; T299-Q365 VanDerWaalsContact CA-O 3.25Å; T299-Q365 WeakPolarHBondContact CA-O 3.37Å; T299-I366 HydrophobicContact CG2-CG2 4.5Å
300I92Very high89.1Confident67 Ų6751.6 Ų51.634%0.34426%0.261SS..BIsolated β-bridgetrans-107.4107.3169.5-58.2168.3000107.4F364 Q365I300-F364 WeakPolarHBondContact O-CB 3.3Å; I300-Q365 HydrophobicContact CB-CB 4.23Å; I300-Q365 PolarHBondContact N-O 3.37Å; I300-Q365 PolarHBondContact O-N 2.98Å
301F93.6Very high89.9Confident1 Ų149 Ų490%0.00426%0.255CS..  trans-140.9117-177-175.9-156.5000111.8L280 F281 L284 T299 L303 K304 E305 F362 F364L280-F301 HydrophobicContact CD2-CZ 4.08Å; L280-F301 HydrophobicContact CG-CZ 4.39Å; F281-F301 HydrophobicContact CE1-CE1 4.34Å; L284-F301 HydrophobicContact CD2-CD1 3.77Å; L284-F301 HydrophobicContact CD2-CE1 4.23Å; T299-F301 HydrophobicContact CG2-CB 3.98Å; F301-L303 HydrophobicContact CD1-CB 4.12Å; F301-L303 HydrophobicContact CD2-CB 4.07Å; F301-L303 HydrophobicContact CE1-CB 3.63Å; F301-L303 HydrophobicContact CE1-CD2 4.02Å; F301-L303 HydrophobicContact CE1-CG 4.39Å; F301-L303 HydrophobicContact CE2-CB 3.55Å; F301-L303 HydrophobicContact CG-CB 4.34Å; F301-L303 HydrophobicContact CZ-CB 3.32Å; F301-L303 HydrophobicContact CZ-CD2 3.71Å; F301-L303 HydrophobicContact CZ-CG 4.16Å; F301-L303 PolarHBondContact O-N 3.45Å; F301-K304 HydrophobicContact CB-CB 4.39Å; F301-K304 HydrophobicContact CD1-CB 4.38Å; F301-K304 WeakPolarHBondContact O-CB 3.46Å; F301-K304 PolarHBondContact O-N 3.28Å; F301-K304 VanDerWaalsContact O-N 3.13Å; F301-E305 PolarHBondContact O-N 3.08Å; F301-F362 HydrophobicContact CE2-CD2 4.08Å; F301-F362 AromaticContact CE2-CE2 3.55Å; F301-F362 HydrophobicContact CE2-CE2 3.55Å; F301-F362 HydrophobicContact CE2-CZ 4.36Å; F301-F362 AromaticContact CZ-CE2 3.87Å; F301-F362 HydrophobicContact CZ-CE2 3.87Å; F301-F362 HydrophobicContact CZ-CZ 4.33Å; F301-F364 HydrophobicContact CB-CB 3.92Å; F301-F364 HydrophobicContact CD2-CB 3.48Å; F301-F364 VanDerWaalsContact CD2-CB 3.48Å; F301-F364 HydrophobicContact CD2-CD1 4.34Å; F301-F364 HydrophobicContact CD2-CG 4.05Å; F301-F364 HydrophobicContact CE2-CB 4.19Å; F301-F364 HydrophobicContact CE2-CD1 4.29Å; F301-F364 HydrophobicContact CE2-CG 4.46Å; F301-F364 HydrophobicContact CG-CB 3.87Å; F301-F364 HydrophobicContact CG-CG 4.24Å
302F92.6Very high90.3Very high1 Ų150.4 Ų50.40%0.00426%0.263CS..Hα-helixtrans-56-35.7-177.677.8-92.2000113.1K304 E305 Y306 L328 W331 W341 I345 F362F302-K304 VanDerWaalsContact C-N 3.31Å; F302-K304 PolarHBondContact O-N 3.5Å; F302-E305 PolarHBondContact O-N 3.46Å; F302-Y306 WeakPolarHBondContact O-CB 3.46Å; F302-Y306 PolarHBondContact O-N 3.39Å; F302-L328 HydrophobicContact CD2-CD1 4.11Å; F302-L328 HydrophobicContact CE2-CD1 4.08Å; F302-L328 HydrophobicContact CE2-CD2 4.04Å; F302-W331 HydrophobicContact CB-CZ3 4.37Å; F302-W331 WeakPolarHBondContact O-CH2 3.43Å; F302-W341 HydrophobicContact CB-CB 4.21Å; F302-W341 HydrophobicContact CB-CD2 3.61Å; F302-W341 HydrophobicContact CB-CE3 4.22Å; F302-W341 HydrophobicContact CB-CG 3.58Å; F302-I345 HydrophobicContact CD1-CD1 3.83Å; F302-I345 HydrophobicContact CD1-CG1 4.08Å; F302-I345 HydrophobicContact CD2-CD1 3.9Å; F302-I345 HydrophobicContact CE1-CD1 3.85Å; F302-I345 HydrophobicContact CE1-CG1 3.86Å; F302-I345 HydrophobicContact CE2-CD1 3.95Å; F302-I345 HydrophobicContact CG-CD1 3.86Å; F302-I345 HydrophobicContact CZ-CD1 3.92Å; F302-I345 HydrophobicContact CZ-CG1 4.21Å; F302-F362 HydrophobicContact CE1-CB 3.87Å; F302-F362 HydrophobicContact CE1-CD1 4.47Å; F302-F362 AromaticContact CE1-CD2 3.58Å; F302-F362 HydrophobicContact CE1-CD2 3.58Å; F302-F362 HydrophobicContact CE1-CE2 4.18Å; F302-F362 AromaticContact CE1-CG 3.74Å; F302-F362 HydrophobicContact CE1-CG 3.74Å; F302-F362 HydrophobicContact CZ-CB 4.4Å; F302-F362 HydrophobicContact CZ-CD1 4.43Å; F302-F362 HydrophobicContact CZ-CD2 4.25Å; F302-F362 HydrophobicContact CZ-CG 4.13Å
303L91.8Very high90.5Very high0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-68.1-33.9-176.8-169.165.7000111.8L271 L280 F281 F301 L307 W324L271-L303 HydrophobicContact CD1-CD1 4.49Å; L280-L303 HydrophobicContact CD2-CD2 3.59Å; F281-L303 HydrophobicContact CE2-CD2 3.92Å; F281-L303 HydrophobicContact CE2-CG 4.42Å; F281-L303 HydrophobicContact CZ-CD2 3.91Å; F281-L303 HydrophobicContact CZ-CG 4.08Å; F301-L303 HydrophobicContact CD1-CB 4.12Å; F301-L303 HydrophobicContact CD2-CB 4.07Å; F301-L303 HydrophobicContact CE1-CB 3.63Å; F301-L303 HydrophobicContact CE1-CD2 4.02Å; F301-L303 HydrophobicContact CE1-CG 4.39Å; F301-L303 HydrophobicContact CE2-CB 3.55Å; F301-L303 HydrophobicContact CG-CB 4.34Å; F301-L303 HydrophobicContact CZ-CB 3.32Å; F301-L303 HydrophobicContact CZ-CD2 3.71Å; F301-L303 HydrophobicContact CZ-CG 4.16Å; F301-L303 PolarHBondContact O-N 3.45Å; L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 VanDerWaalsContact O-CG 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 2.9Å; L303-W324 HydrophobicContact CD1-CE3 4.32Å; L303-W324 HydrophobicContact CD1-CZ3 3.77Å
304K91.5Very high90.5Very high45 Ų4554.7 Ų54.720%0.19631%0.305CS..Hα-helixtrans-67.6-43.3175.4-174.9-179.8179.9179.30110.7S296 F301 F302 L307 N308S296-K304 PolarHBondContact O-NZ 2.97Å; S296-K304 PolarHBondContact OG-NZ 2.84Å; F301-K304 HydrophobicContact CB-CB 4.39Å; F301-K304 HydrophobicContact CD1-CB 4.38Å; F301-K304 WeakPolarHBondContact O-CB 3.46Å; F301-K304 PolarHBondContact O-N 3.28Å; F301-K304 VanDerWaalsContact O-N 3.13Å; F302-K304 VanDerWaalsContact C-N 3.31Å; F302-K304 PolarHBondContact O-N 3.5Å; K304-L307 PolarHBondContact O-N 2.83Å; K304-N308 VanDerWaalsContact O-CG 3.3Å; K304-N308 PolarHBondContact O-N 3.34Å; K304-N308 PolarHBondContact O-ND2 2.69Å
305E90.1Very high90.3Very high81 Ų8153.1 Ų53.138%0.37930%0.303SS..Hα-helixtrans-67.7-36.6175.9-63.7-50.6142.200112.4F301 F302 N308 Y309 W331 W341F301-E305 PolarHBondContact O-N 3.08Å; F302-E305 PolarHBondContact O-N 3.46Å; E305-N308 PolarHBondContact O-N 2.89Å; E305-Y309 WeakPolarHBondContact O-CB 3.25Å; E305-Y309 PolarHBondContact O-N 3Å; E305-W331 HydrophobicContact CB-CH2 3.9Å; E305-W331 HydrophobicContact CB-CZ2 4.11Å; E305-W341 HydrophobicContact CB-CH2 3.78Å; E305-W341 HydrophobicContact CB-CZ2 4.07Å; E305-W341 HydrophobicContact CG-CH2 3.91Å; E305-W341 HydrophobicContact CG-CZ2 3.8Å
306Y91.5Very high90Very high2 Ų260.6 Ų60.61%0.00834%0.34CS..Hα-helixtrans-63.7-44.2174.1-176-119.6000111.7F302 Y309 L310 L323 W324 L328 W331F302-Y306 WeakPolarHBondContact O-CB 3.46Å; F302-Y306 PolarHBondContact O-N 3.39Å; Y306-Y309 HydrophobicContact CD2-CD1 4.31Å; Y306-Y309 HydrophobicContact CE2-CD1 4.35Å; Y306-Y309 WeakPolarHBondContact O-CB 3.29Å; Y306-Y309 PolarHBondContact O-N 3.34Å; Y306-L310 HydrophobicContact CD1-CD1 4.01Å; Y306-L310 HydrophobicContact CE1-CD1 3.56Å; Y306-L310 HydrophobicContact CE1-CG 4.22Å; Y306-L310 HydrophobicContact CE2-CD1 4.48Å; Y306-L310 HydrophobicContact CE2-CD2 4.32Å; Y306-L310 HydrophobicContact CE2-CG 4.28Å; Y306-L310 WeakPolarHBondContact O-CG 3.35Å; Y306-L310 PolarHBondContact O-N 3.49Å; Y306-L323 WeakPolarHBondContact OH-CD1 3.48Å; Y306-L323 PolarHBondContact OH-O 3.03Å; Y306-W324 HydrophobicContact CD1-CZ3 4.21Å; Y306-W324 HydrophobicContact CE1-CE3 4.38Å; Y306-W324 HydrophobicContact CE1-CZ3 4.22Å; Y306-L328 HydrophobicContact CD1-CD1 3.65Å; Y306-L328 HydrophobicContact CD2-CD1 3.83Å; Y306-L328 HydrophobicContact CE1-CB 4.2Å; Y306-L328 HydrophobicContact CE1-CD1 3.98Å; Y306-L328 HydrophobicContact CE2-CB 4.49Å; Y306-L328 HydrophobicContact CE2-CD1 4.15Å; Y306-L328 HydrophobicContact CG-CD1 3.55Å; Y306-W331 HydrophobicContact CD2-CB 4.06Å; Y306-W331 AromaticContact CD2-CD2 3.45Å; Y306-W331 HydrophobicContact CD2-CD2 3.45Å; Y306-W331 VanDerWaalsContact CD2-CD2 3.45Å; Y306-W331 AromaticContact CD2-CE2 3.99Å; Y306-W331 AromaticContact CD2-CE3 3.52Å; Y306-W331 HydrophobicContact CD2-CE3 3.52Å; Y306-W331 AromaticContact CD2-CG 3.65Å; Y306-W331 HydrophobicContact CD2-CG 3.65Å; Y306-W331 HydrophobicContact CD2-CZ3 4.18Å; Y306-W331 HydrophobicContact CE2-CB 3.83Å; Y306-W331 HydrophobicContact CE2-CD2 4.16Å; Y306-W331 HydrophobicContact CE2-CE3 4.37Å; Y306-W331 AromaticContact CE2-CG 3.89Å; Y306-W331 HydrophobicContact CE2-CG 3.89Å; Y306-W331 HydrophobicContact CG-CD2 4.37Å; Y306-W331 HydrophobicContact CG-CE3 4.1Å; Y306-W331 HydrophobicContact CG-CZ3 4.35Å
307L91.6Very high89.7Confident36 Ų3662.5 Ų62.519%0.18835%0.345CS..Hα-helixtrans-63.3-40.7174.2-74.9179.1000112.4F281 L303 K304 Y309 L310 N311 I317 W324F281-L307 HydrophobicContact CE1-CD1 4.36Å; F281-L307 HydrophobicContact CE2-CD1 3.62Å; F281-L307 HydrophobicContact CZ-CD1 3.36Å; L303-L307 WeakPolarHBondContact O-CB 3.27Å; L303-L307 VanDerWaalsContact O-CG 3.31Å; L303-L307 WeakPolarHBondContact O-CG 3.47Å; L303-L307 PolarHBondContact O-N 2.9Å; K304-L307 PolarHBondContact O-N 2.83Å; L307-Y309 VanDerWaalsContact C-N 3.33Å; L307-L310 PolarHBondContact O-N 3.04Å; L307-N311 WeakPolarHBondContact O-CB 3.43Å; L307-N311 PolarHBondContact O-N 2.88Å; L307-I317 HydrophobicContact CD2-CD1 4.05Å; L307-W324 HydrophobicContact CD2-CH2 3.85Å
308N90.4Very high89.6Confident71 Ų7157 Ų5738%0.3832%0.319SS..Hα-helixtrans-61.9-41.9173.9-74.2-18.8000111.4K304 E305 N311 N312K304-N308 VanDerWaalsContact O-CG 3.3Å; K304-N308 PolarHBondContact O-N 3.34Å; K304-N308 PolarHBondContact O-ND2 2.69Å; E305-N308 PolarHBondContact O-N 2.89Å; N308-N311 PolarHBondContact O-N 3.31Å; N308-N312 WeakPolarHBondContact O-CB 3.49Å; N308-N312 PolarHBondContact O-N 2.9Å; N308-N312 PolarHBondContact O-ND2 3.46Å
309Y90.4Very high89.4Confident84 Ų8461 Ų6133%0.32934%0.337SS..Hα-helixtrans-60.8-48.8175.3168.4-102.5000112E305 Y306 L307 N311 N312 L313 W331 T335E305-Y309 WeakPolarHBondContact O-CB 3.25Å; E305-Y309 PolarHBondContact O-N 3Å; Y306-Y309 HydrophobicContact CD2-CD1 4.31Å; Y306-Y309 HydrophobicContact CE2-CD1 4.35Å; Y306-Y309 WeakPolarHBondContact O-CB 3.29Å; Y306-Y309 PolarHBondContact O-N 3.34Å; L307-Y309 VanDerWaalsContact C-N 3.33Å; Y309-N311 VanDerWaalsContact C-N 3.32Å; Y309-N311 PolarHBondContact O-N 3.44Å; Y309-N312 PolarHBondContact O-N 2.9Å; Y309-L313 HydrophobicContact CD1-CD1 4.19Å; Y309-L313 HydrophobicContact CE1-CD1 3.53Å; Y309-L313 HydrophobicContact CE2-CD1 3.9Å; Y309-L313 HydrophobicContact CE2-CG 4.24Å; Y309-L313 PolarHBondContact O-N 2.89Å; Y309-W331 AromaticContact CD1-CD1 3.37Å; Y309-W331 HydrophobicContact CD1-CG 4.26Å; Y309-W331 AromaticContact CD1-NE1 3.51Å; Y309-W331 AromaticContact CD2-NE1 3.75Å; Y309-W331 AromaticContact CE1-CD1 3.43Å; Y309-W331 VanDerWaalsContact CE1-CD1 3.43Å; Y309-W331 HydrophobicContact CE1-CG 4.33Å; Y309-W331 AromaticContact CG-CD1 3.69Å; Y309-W331 AromaticContact CG-NE1 3.35Å; Y309-W331 VanDerWaalsContact CG-NE1 3.35Å; Y309-W331 AromaticContact CZ-CD1 3.8Å; Y309-T335 HydrophobicContact CE2-CG2 4.45Å
310L91Very high89.2Confident9 Ų963.8 Ų63.85%0.04735%0.354CS..Hα-helixtrans-60.7-41.1176.5-69.5178.7000111.9Y306 L307 L313 G314 A315 L323Y306-L310 HydrophobicContact CD1-CD1 4.01Å; Y306-L310 HydrophobicContact CE1-CD1 3.56Å; Y306-L310 HydrophobicContact CE1-CG 4.22Å; Y306-L310 HydrophobicContact CE2-CD1 4.48Å; Y306-L310 HydrophobicContact CE2-CD2 4.32Å; Y306-L310 HydrophobicContact CE2-CG 4.28Å; Y306-L310 WeakPolarHBondContact O-CG 3.35Å; Y306-L310 PolarHBondContact O-N 3.49Å; L307-L310 PolarHBondContact O-N 3.04Å; L310-L313 PolarHBondContact O-N 3.4Å; L310-G314 PolarHBondContact O-N 3.44Å; L310-A315 HydrophobicContact CB-CB 4.39Å; L310-A315 HydrophobicContact CD2-CB 4.16Å; L310-A315 PolarHBondContact O-N 3.11Å; L310-L323 HydrophobicContact CD1-CD1 4.2Å; L310-L323 HydrophobicContact CD1-CD2 4.27Å; L310-L323 HydrophobicContact CD1-CG 4.41Å; L310-L323 HydrophobicContact CD2-CD1 4.04Å
311N91.6Very high89Confident117 Ų11764.5 Ų64.563%0.62636%0.358SS*.Hα-helixtrans-64.7-40.9176.8-170.645.3000112L307 N308 Y309 L313 G314L307-N311 WeakPolarHBondContact O-CB 3.43Å; L307-N311 PolarHBondContact O-N 2.88Å; N308-N311 PolarHBondContact O-N 3.31Å; Y309-N311 VanDerWaalsContact C-N 3.32Å; Y309-N311 PolarHBondContact O-N 3.44Å; N311-L313 VanDerWaalsContact C-N 3.28Å; N311-L313 PolarHBondContact O-N 3.28Å; N311-G314 PolarHBondContact O-N 3.47Å
312N90.9Very high88.7Confident138 Ų13867.9 Ų67.974%0.73838%0.379SS*.Hα-helixtrans-65.9-30176.5-71.8-18.6000112.8N308 Y309 G314N308-N312 WeakPolarHBondContact O-CB 3.49Å; N308-N312 PolarHBondContact O-N 2.9Å; N308-N312 PolarHBondContact O-ND2 3.46Å; Y309-N312 PolarHBondContact O-N 2.9Å; N312-G314 VanDerWaalsContact C-N 3.26Å
313L90.1Very high88.6Confident110 Ų11068.7 Ų68.758%0.57638%0.383SS*.THydrogen-bonded Turntrans-77.4-9.5172.2-70.7178.8000113.6Y309 L310 N311 A315Y309-L313 HydrophobicContact CD1-CD1 4.19Å; Y309-L313 HydrophobicContact CE1-CD1 3.53Å; Y309-L313 HydrophobicContact CE2-CD1 3.9Å; Y309-L313 HydrophobicContact CE2-CG 4.24Å; Y309-L313 PolarHBondContact O-N 2.89Å; L310-L313 PolarHBondContact O-N 3.4Å; N311-L313 VanDerWaalsContact C-N 3.28Å; N311-L313 PolarHBondContact O-N 3.28Å; L313-A315 HydrophobicContact CB-CB 4.44Å; L313-A315 PolarHBondContact O-N 2.79Å
314G88.1Confident88.5Confident63 Ų6368.9 Ų68.965%0.64938%0.384SS*.THydrogen-bonded Turntrans67.621.1-170.500000113.3L310 N311 N312L310-G314 PolarHBondContact O-N 3.44Å; N311-G314 PolarHBondContact O-N 3.47Å; N312-G314 VanDerWaalsContact C-N 3.26Å
315A84.4Confident88.3Confident42 Ų4267.6 Ų67.635%0.34738%0.38SS..  trans-73.6131.1179.500000110.7L310 L313 I317L310-A315 HydrophobicContact CB-CB 4.39Å; L310-A315 HydrophobicContact CD2-CB 4.16Å; L310-A315 PolarHBondContact O-N 3.11Å; L313-A315 HydrophobicContact CB-CB 4.44Å; L313-A315 PolarHBondContact O-N 2.79Å; A315-I317 PolarHBondContact O-N 3.28Å
316L82.9Confident88.3Confident166 Ų16665.7 Ų65.787%0.86937%0.374SS*.  trans-67.1123.1172.4-78.8150.9000109.6S318L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 2.8Å
317I82.9Confident88.3Confident91 Ų9168.8 Ų68.847%0.46739%0.391SS..  trans-67.588.8175.5-56.1171.2000108.6L307 A315 W324L307-I317 HydrophobicContact CD2-CD1 4.05Å; A315-I317 PolarHBondContact O-N 3.28Å; I317-W324 HydrophobicContact CG2-CH2 4.35Å; I317-W324 HydrophobicContact CG2-CZ2 3.87Å
318S83.1Confident88.3Confident47 Ų4767.1 Ų67.133%0.32938%0.382SS..  trans-91.3153.1-178.268.20000111.6L316 V320 W324L316-S318 VanDerWaalsContact C-N 3.29Å; L316-S318 PolarHBondContact O-N 2.8Å; S318-V320 PolarHBondContact O-N 3.42Å; S318-V320 VanDerWaalsContact O-N 3.17Å; S318-V320 WeakPolarHBondContact OG-CG2 3.32Å; S318-W324 PolarHBondContact O-NE1 3.2Å; S318-W324 VanDerWaalsContact O-NE1 3.16Å
319N85.5Confident88.2Confident96 Ų9665.1 Ų65.151%0.51337%0.37SS..  trans-86.539.8175.2-64.3-35.5000111.1T272 R277T272-N319 HydrophobicContact CG2-CB 4.46Å; T272-N319 WeakPolarHBondContact CG2-O 3.39Å; T272-N319 WeakPolarHBondContact O-CB 3.24Å; T272-N319 PolarHBondContact O-OD1 2.92Å; T272-N319 VanDerWaalsContact O-OD1 3.12Å; R277-N319 PolarHBondContact NH1-OD1 3.43Å; R277-N319 VanDerWaalsContact NH1-OD1 3.12Å; R277-N319 PolarHBondContact NH2-OD1 2.94Å
320V87.6Confident88.2Confident72 Ų7264 Ų6444%0.43637%0.369SS..  trans-91.3135.5178.8-175.80000109.1S318 T322 L323 W324S318-V320 PolarHBondContact O-N 3.42Å; S318-V320 VanDerWaalsContact O-N 3.17Å; S318-V320 WeakPolarHBondContact OG-CG2 3.32Å; V320-T322 VanDerWaalsContact C-N 3.29Å; V320-T322 VanDerWaalsContact CG1-OG1 3.3Å; V320-T322 WeakPolarHBondContact CG1-OG1 3.11Å; V320-T322 PolarHBondContact O-N 3.39Å; V320-L323 PolarHBondContact O-N 2.98Å; V320-W324 VanDerWaalsContact O-CD1 3.3Å
321N87.1Confident88.2Confident82 Ų8264.3 Ų64.344%0.43937%0.37SS..Hα-helixtrans-60.4-38-176.5-170.138.5000112.6T272 L323 W324 T325T272-N321 PolarHBondContact OG1-OD1 3.43Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 PolarHBondContact O-N 3.27Å; N321-W324 PolarHBondContact O-N 3.42Å; N321-W324 VanDerWaalsContact O-N 3.14Å; N321-T325 WeakPolarHBondContact O-CB 3.44Å; N321-T325 PolarHBondContact O-N 2.92Å; N321-T325 PolarHBondContact O-OG1 2.89Å; N321-T325 WeakPolarHBondContact OD1-CG2 3.17Å
322T88.4Confident88.1Confident73 Ų7358.7 Ų58.745%0.44834%0.34SS..Hα-helixtrans-58-38.7-178.856.50000112.4V320 W324 T325 V326 D327V320-T322 VanDerWaalsContact C-N 3.29Å; V320-T322 VanDerWaalsContact CG1-OG1 3.3Å; V320-T322 WeakPolarHBondContact CG1-OG1 3.11Å; V320-T322 PolarHBondContact O-N 3.39Å; T322-W324 VanDerWaalsContact C-N 3.32Å; T322-W324 PolarHBondContact O-N 3.03Å; T322-T325 PolarHBondContact O-N 3.34Å; T322-V326 PolarHBondContact O-N 2.89Å; T322-D327 PolarHBondContact O-N 3.47Å
323L90Very high87.9Confident17 Ų1755.1 Ų55.19%0.08932%0.319CS..Iπ-helixtrans-60.1-41.9178.5-170.870.3000111.9Y306 L310 V320 N321 D327 L328Y306-L323 WeakPolarHBondContact OH-CD1 3.48Å; Y306-L323 PolarHBondContact OH-O 3.03Å; L310-L323 HydrophobicContact CD1-CD1 4.2Å; L310-L323 HydrophobicContact CD1-CD2 4.27Å; L310-L323 HydrophobicContact CD1-CG 4.41Å; L310-L323 HydrophobicContact CD2-CD1 4.04Å; V320-L323 PolarHBondContact O-N 2.98Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 PolarHBondContact O-N 3.27Å; L323-D327 WeakPolarHBondContact CA-OD2 3.42Å; L323-D327 HydrophobicContact CD1-CB 4.43Å; L323-L328 PolarHBondContact O-N 3.35Å
324W89.2Confident87.8Confident4 Ų458.8 Ų58.82%0.01533%0.326CS..Iπ-helixtrans-92-3.3-173.6-60.1101.6000114.2L271 L303 Y306 L307 I317 S318 V320 N321 T322L271-W324 HydrophobicContact CB-CB 4.12Å; L271-W324 HydrophobicContact CB-CD2 4.21Å; L271-W324 HydrophobicContact CB-CE3 4.17Å; L271-W324 HydrophobicContact CB-CG 4.21Å; L303-W324 HydrophobicContact CD1-CE3 4.32Å; L303-W324 HydrophobicContact CD1-CZ3 3.77Å; Y306-W324 HydrophobicContact CD1-CZ3 4.21Å; Y306-W324 HydrophobicContact CE1-CE3 4.38Å; Y306-W324 HydrophobicContact CE1-CZ3 4.22Å; L307-W324 HydrophobicContact CD2-CH2 3.85Å; I317-W324 HydrophobicContact CG2-CH2 4.35Å; I317-W324 HydrophobicContact CG2-CZ2 3.87Å; S318-W324 PolarHBondContact O-NE1 3.2Å; S318-W324 VanDerWaalsContact O-NE1 3.16Å; V320-W324 VanDerWaalsContact O-CD1 3.3Å; N321-W324 PolarHBondContact O-N 3.42Å; N321-W324 VanDerWaalsContact O-N 3.14Å; T322-W324 VanDerWaalsContact C-N 3.32Å; T322-W324 PolarHBondContact O-N 3.03Å
325T88.6Confident87.5Confident19 Ų1958.9 Ų58.912%0.11732%0.315CS..Iπ-helixtrans-124.7-67.3-174.654.60000110.9N321 T322 K329N321-T325 WeakPolarHBondContact O-CB 3.44Å; N321-T325 PolarHBondContact O-N 2.92Å; N321-T325 PolarHBondContact O-OG1 2.89Å; N321-T325 WeakPolarHBondContact OD1-CG2 3.17Å; T322-T325 PolarHBondContact O-N 3.34Å; T325-K329 VanDerWaalsContact O-CB 3.27Å; T325-K329 WeakPolarHBondContact O-CB 3.32Å; T325-K329 PolarHBondContact O-N 3.38Å
326V90Very high87.3Confident40 Ų4059.3 Ų59.324%0.24232%0.323CS..Iπ-helixtrans-74.8-57.5-178.6-176.70000110.8T322 L328 K329 D330 Y357T322-V326 PolarHBondContact O-N 2.89Å; V326-L328 VanDerWaalsContact C-N 3.29Å; V326-L328 PolarHBondContact O-N 3.23Å; V326-K329 PolarHBondContact O-N 3.24Å; V326-D330 PolarHBondContact O-N 3.42Å; V326-Y357 HydrophobicContact CB-CD1 4.3Å; V326-Y357 HydrophobicContact CB-CE1 4.28Å; V326-Y357 HydrophobicContact CG1-CE1 4.11Å; V326-Y357 HydrophobicContact CG2-CD1 3.9Å; V326-Y357 HydrophobicContact CG2-CD2 4.27Å; V326-Y357 HydrophobicContact CG2-CE1 3.96Å; V326-Y357 HydrophobicContact CG2-CE2 4.32Å; V326-Y357 HydrophobicContact CG2-CG 4.06Å
327D90.4Very high87.2Confident68 Ų6851.5 Ų51.536%0.36428%0.283SS..Iπ-helixtrans-64.8-35.7-173.3-57.5-17.3000111.5T322 L323 W331T322-D327 PolarHBondContact O-N 3.47Å; L323-D327 WeakPolarHBondContact CA-OD2 3.42Å; L323-D327 HydrophobicContact CD1-CB 4.43Å; D327-W331 VanDerWaalsContact O-CB 3.24Å; D327-W331 WeakPolarHBondContact O-CB 3.26Å; D327-W331 PolarHBondContact O-N 3.22Å
328L90.9Very high87.3Confident0 Ų054 Ų540%029%0.286CS..Hα-helixtrans-64.1-44173.9175.463.5000111.9F302 Y306 L323 V326 W331 I332 W347 I359F302-L328 HydrophobicContact CD2-CD1 4.11Å; F302-L328 HydrophobicContact CE2-CD1 4.08Å; F302-L328 HydrophobicContact CE2-CD2 4.04Å; Y306-L328 HydrophobicContact CD1-CD1 3.65Å; Y306-L328 HydrophobicContact CD2-CD1 3.83Å; Y306-L328 HydrophobicContact CE1-CB 4.2Å; Y306-L328 HydrophobicContact CE1-CD1 3.98Å; Y306-L328 HydrophobicContact CE2-CB 4.49Å; Y306-L328 HydrophobicContact CE2-CD1 4.15Å; Y306-L328 HydrophobicContact CG-CD1 3.55Å; L323-L328 PolarHBondContact O-N 3.35Å; V326-L328 VanDerWaalsContact C-N 3.29Å; V326-L328 PolarHBondContact O-N 3.23Å; L328-W331 HydrophobicContact CD1-CE3 3.97Å; L328-W331 HydrophobicContact CD1-CZ3 4.34Å; L328-W331 PolarHBondContact O-N 3Å; L328-I332 HydrophobicContact CD1-CD1 4.34Å; L328-I332 HydrophobicContact CG-CD1 4.35Å; L328-I332 WeakPolarHBondContact O-CD1 3.33Å; L328-I332 WeakPolarHBondContact O-CG1 3.29Å; L328-I332 PolarHBondContact O-N 2.9Å; L328-I332 VanDerWaalsContact O-N 3.13Å; L328-W347 HydrophobicContact CG-CH2 4.45Å; L328-I359 HydrophobicContact CD2-CD1 3.73Å
329K90.2Very high87.5Confident30 Ų3057.4 Ų57.413%0.1331%0.307CS..Hα-helixtrans-66.6-42.6178.2-173.6176.8-177.71790111.1T325 V326 I332 H333 W347 Q356 Y357T325-K329 VanDerWaalsContact O-CB 3.27Å; T325-K329 WeakPolarHBondContact O-CB 3.32Å; T325-K329 PolarHBondContact O-N 3.38Å; V326-K329 PolarHBondContact O-N 3.24Å; K329-I332 PolarHBondContact O-N 3.24Å; K329-H333 PolarHBondContact O-CD2 3.42Å; K329-H333 PolarHBondContact O-N 3.48Å; K329-H333 VanDerWaalsContact O-N 3.07Å; K329-W347 HydrophobicContact CB-CH2 3.63Å; K329-W347 HydrophobicContact CB-CZ2 3.95Å; K329-W347 HydrophobicContact CB-CZ3 4.02Å; K329-W347 HydrophobicContact CD-CD2 4.25Å; K329-W347 HydrophobicContact CD-CE3 4.24Å; K329-W347 HydrophobicContact CD-CZ3 4.38Å; K329-W347 HydrophobicContact CG-CD2 4.43Å; K329-W347 HydrophobicContact CG-CH2 4.04Å; K329-W347 HydrophobicContact CG-CZ2 3.92Å; K329-W347 HydrophobicContact CG-CZ3 4.35Å; K329-Q356 PolarHBondContact NZ-O 3.37Å; K329-Y357 HydrophobicContact CB-CD1 4.33Å; K329-Y357 HydrophobicContact CD-CD1 3.61Å; K329-Y357 HydrophobicContact CD-CE1 3.94Å
330D89.6Confident87.5Confident59 Ų5957.9 Ų57.932%0.31631%0.309SS..Hα-helixtrans-65.2-41.2176.9-73-11.9000111.2V326 I332 H333 Y334V326-D330 PolarHBondContact O-N 3.42Å; D330-I332 PolarHBondContact O-N 3.49Å; D330-H333 PolarHBondContact O-N 2.86Å; D330-Y334 HydrophobicContact CB-CD2 3.93Å; D330-Y334 HydrophobicContact CB-CE2 4.11Å; D330-Y334 WeakPolarHBondContact O-CB 3.33Å; D330-Y334 WeakPolarHBondContact O-CD2 3.44Å; D330-Y334 PolarHBondContact O-N 3.2Å
331W90.6Very high87.6Confident16 Ų1655.4 Ų55.46%0.06129%0.292CS..Hα-helixtrans-55.7-49.5172.817378.4000111.3F302 E305 Y306 Y309 D327 L328 H333 Y334 T335 W341F302-W331 HydrophobicContact CB-CZ3 4.37Å; F302-W331 WeakPolarHBondContact O-CH2 3.43Å; E305-W331 HydrophobicContact CB-CH2 3.9Å; E305-W331 HydrophobicContact CB-CZ2 4.11Å; Y306-W331 HydrophobicContact CD2-CB 4.06Å; Y306-W331 AromaticContact CD2-CD2 3.45Å; Y306-W331 HydrophobicContact CD2-CD2 3.45Å; Y306-W331 VanDerWaalsContact CD2-CD2 3.45Å; Y306-W331 AromaticContact CD2-CE2 3.99Å; Y306-W331 AromaticContact CD2-CE3 3.52Å; Y306-W331 HydrophobicContact CD2-CE3 3.52Å; Y306-W331 AromaticContact CD2-CG 3.65Å; Y306-W331 HydrophobicContact CD2-CG 3.65Å; Y306-W331 HydrophobicContact CD2-CZ3 4.18Å; Y306-W331 HydrophobicContact CE2-CB 3.83Å; Y306-W331 HydrophobicContact CE2-CD2 4.16Å; Y306-W331 HydrophobicContact CE2-CE3 4.37Å; Y306-W331 AromaticContact CE2-CG 3.89Å; Y306-W331 HydrophobicContact CE2-CG 3.89Å; Y306-W331 HydrophobicContact CG-CD2 4.37Å; Y306-W331 HydrophobicContact CG-CE3 4.1Å; Y306-W331 HydrophobicContact CG-CZ3 4.35Å; Y309-W331 AromaticContact CD1-CD1 3.37Å; Y309-W331 HydrophobicContact CD1-CG 4.26Å; Y309-W331 AromaticContact CD1-NE1 3.51Å; Y309-W331 AromaticContact CD2-NE1 3.75Å; Y309-W331 AromaticContact CE1-CD1 3.43Å; Y309-W331 VanDerWaalsContact CE1-CD1 3.43Å; Y309-W331 HydrophobicContact CE1-CG 4.33Å; Y309-W331 AromaticContact CG-CD1 3.69Å; Y309-W331 AromaticContact CG-NE1 3.35Å; Y309-W331 VanDerWaalsContact CG-NE1 3.35Å; Y309-W331 AromaticContact CZ-CD1 3.8Å; D327-W331 VanDerWaalsContact O-CB 3.24Å; D327-W331 WeakPolarHBondContact O-CB 3.26Å; D327-W331 PolarHBondContact O-N 3.22Å; L328-W331 HydrophobicContact CD1-CE3 3.97Å; L328-W331 HydrophobicContact CD1-CZ3 4.34Å; L328-W331 PolarHBondContact O-N 3Å; W331-H333 VanDerWaalsContact C-N 3.32Å; W331-H333 PolarHBondContact O-N 3.11Å; W331-Y334 PolarHBondContact O-N 3.46Å; W331-T335 HydrophobicContact CG-CG2 4.45Å; W331-T335 PolarHBondContact NE1-OG1 3.43Å; W331-T335 VanDerWaalsContact NE1-OG1 3.09Å; W331-T335 PolarHBondContact O-N 2.89Å; W331-T335 PolarHBondContact O-OG1 3.27Å; W331-W341 AromaticContact CH2-CE3 3.82Å; W331-W341 HydrophobicContact CH2-CE3 3.82Å; W331-W341 AromaticContact CH2-CH2 3.75Å; W331-W341 HydrophobicContact CH2-CH2 3.75Å; W331-W341 AromaticContact CH2-CZ3 3.26Å; W331-W341 HydrophobicContact CH2-CZ3 3.26Å; W331-W341 HydrophobicContact CZ2-CH2 4.21Å; W331-W341 AromaticContact CZ2-CZ3 3.78Å; W331-W341 HydrophobicContact CZ2-CZ3 3.78Å; W331-W341 HydrophobicContact CZ3-CE3 4.03Å; W331-W341 AromaticContact CZ3-CZ3 3.93Å; W331-W341 HydrophobicContact CZ3-CZ3 3.93Å
332I90Very high87.6Confident0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-58.4-44.8177.9-68.4157.3000111.2L328 K329 D330 G337 R338 I345 W347L328-I332 HydrophobicContact CD1-CD1 4.34Å; L328-I332 HydrophobicContact CG-CD1 4.35Å; L328-I332 WeakPolarHBondContact O-CD1 3.33Å; L328-I332 WeakPolarHBondContact O-CG1 3.29Å; L328-I332 PolarHBondContact O-N 2.9Å; L328-I332 VanDerWaalsContact O-N 3.13Å; K329-I332 PolarHBondContact O-N 3.24Å; D330-I332 PolarHBondContact O-N 3.49Å; I332-G337 CarbonylContact O-C 3.56Å; I332-R338 WeakPolarHBondContact O-CA 3.43Å; I332-R338 PolarHBondContact O-N 2.95Å; I332-I345 HydrophobicContact CD1-CD1 3.32Å; I332-I345 HydrophobicContact CG1-CD1 4.48Å; I332-W347 HydrophobicContact CD1-CH2 4.32Å; I332-W347 HydrophobicContact CD1-CZ2 3.72Å
333H87.3Confident87.6Confident63 Ų6356 Ų5629%0.29230%0.297SS..Hα-helixtrans-73.3-36.2-176.8-73.2-51.2000114K329 D330 W331 D342K329-H333 PolarHBondContact O-CD2 3.42Å; K329-H333 PolarHBondContact O-N 3.48Å; K329-H333 VanDerWaalsContact O-N 3.07Å; D330-H333 PolarHBondContact O-N 2.86Å; W331-H333 VanDerWaalsContact C-N 3.32Å; W331-H333 PolarHBondContact O-N 3.11Å; H333-D342 IonicContact CE1-OD1 3.48Å; H333-D342 PolarHBondContact CE1-OD1 2.86Å; H333-D342 IonicContact ND1-OD1 3.96Å
334Y87Confident87.7Confident186 Ų18655.6 Ų55.673%0.72930%0.295SS*.Hα-helixtrans-106.1-25-168.1-61.7-63.4000115.2D330 W331D330-Y334 HydrophobicContact CB-CD2 3.93Å; D330-Y334 HydrophobicContact CB-CE2 4.11Å; D330-Y334 WeakPolarHBondContact O-CB 3.33Å; D330-Y334 WeakPolarHBondContact O-CD2 3.44Å; D330-Y334 PolarHBondContact O-N 3.2Å; W331-Y334 PolarHBondContact O-N 3.46Å
335T81.6Confident87.8Confident66 Ų6655.8 Ų55.841%0.40530%0.296SS..SBendtrans-100.223.7-173.370.60000114.2Y309 W331 G337Y309-T335 HydrophobicContact CE2-CG2 4.45Å; W331-T335 HydrophobicContact CG-CG2 4.45Å; W331-T335 PolarHBondContact NE1-OG1 3.43Å; W331-T335 VanDerWaalsContact NE1-OG1 3.09Å; W331-T335 PolarHBondContact O-N 2.89Å; W331-T335 PolarHBondContact O-OG1 3.27Å; T335-G337 VanDerWaalsContact C-N 3.33Å; T335-G337 PolarHBondContact O-N 3.26Å
336G79.5Confident88Confident51 Ų5158.8 Ų58.853%0.52631%0.314SS..SBendtrans81.35.2179.600000115.1R338 P339G336-R338 VanDerWaalsContact C-N 3.29Å; G336-R338 PolarHBondContact O-N 3.29Å; G336-P339 VanDerWaalsContact O-CD 3.32Å; G336-P339 WeakPolarHBondContact O-CD 3.19Å; G336-P339 WeakPolarHBondContact O-CG 3.26Å
337G81.8Confident88Confident2 Ų258.8 Ų58.82%0.02131%0.309CS..  trans-72.1-21.5174.800000114I332 T335 L340 W341I332-G337 CarbonylContact O-C 3.56Å; T335-G337 VanDerWaalsContact C-N 3.33Å; T335-G337 PolarHBondContact O-N 3.26Å; G337-L340 PolarHBondContact O-N 3.06Å; G337-W341 VanDerWaalsContact CA-CE3 3.42Å; G337-W341 VanDerWaalsContact CA-CZ3 3.48Å; G337-W341 PolarHBondContact O-N 3.31Å
338R84.5Confident88Confident144 Ų14455.8 Ų55.854%0.54330%0.295SS..Hα-helixtrans-52.3-53.3-176.4-163.8-179.6-177.9-168.90.4114.4I332 G336 L340 D342I332-R338 WeakPolarHBondContact O-CA 3.43Å; I332-R338 PolarHBondContact O-N 2.95Å; G336-R338 VanDerWaalsContact C-N 3.29Å; G336-R338 PolarHBondContact O-N 3.29Å; R338-L340 PolarHBondContact O-N 3.38Å; R338-L340 VanDerWaalsContact O-N 3.12Å; R338-D342 HydrophobicContact CG-CB 3.79Å; R338-D342 IonicContact NE-OD2 3.42Å; R338-D342 PolarHBondContact NE-OD2 3.29Å; R338-D342 WeakPolarHBondContact O-CB 3.39Å; R338-D342 PolarHBondContact O-N 3.5Å; R338-D342 VanDerWaalsContact O-N 3.13Å
339P86.9Confident87.9Confident118 Ų11858.4 Ų58.477%0.76631%0.309SS*.Hα-helixtrans-61.6-21.8178.924.3-35.9000114G336G336-P339 VanDerWaalsContact O-CD 3.32Å; G336-P339 WeakPolarHBondContact O-CD 3.19Å; G336-P339 WeakPolarHBondContact O-CG 3.26Å
340L86.8Confident87.7Confident105 Ų10560.9 Ų60.955%0.5533%0.328SS..Hα-helixtrans-92.2-45.8-177.8-65170.9000112.4G337 R338G337-L340 PolarHBondContact O-N 3.06Å; R338-L340 PolarHBondContact O-N 3.38Å; R338-L340 VanDerWaalsContact O-N 3.12Å
341W90.1Very high87.7Confident20 Ų2067.2 Ų67.28%0.07635%0.353CS..Hα-helixtrans-121.6-4.6-165.2-54.7-57.3000115.8F302 E305 W331 G337 T343 D344 I345F302-W341 HydrophobicContact CB-CB 4.21Å; F302-W341 HydrophobicContact CB-CD2 3.61Å; F302-W341 HydrophobicContact CB-CE3 4.22Å; F302-W341 HydrophobicContact CB-CG 3.58Å; E305-W341 HydrophobicContact CB-CH2 3.78Å; E305-W341 HydrophobicContact CB-CZ2 4.07Å; E305-W341 HydrophobicContact CG-CH2 3.91Å; E305-W341 HydrophobicContact CG-CZ2 3.8Å; W331-W341 AromaticContact CH2-CE3 3.82Å; W331-W341 HydrophobicContact CH2-CE3 3.82Å; W331-W341 AromaticContact CH2-CH2 3.75Å; W331-W341 HydrophobicContact CH2-CH2 3.75Å; W331-W341 AromaticContact CH2-CZ3 3.26Å; W331-W341 HydrophobicContact CH2-CZ3 3.26Å; W331-W341 HydrophobicContact CZ2-CH2 4.21Å; W331-W341 AromaticContact CZ2-CZ3 3.78Å; W331-W341 HydrophobicContact CZ2-CZ3 3.78Å; W331-W341 HydrophobicContact CZ3-CE3 4.03Å; W331-W341 AromaticContact CZ3-CZ3 3.93Å; W331-W341 HydrophobicContact CZ3-CZ3 3.93Å; G337-W341 VanDerWaalsContact CA-CE3 3.42Å; G337-W341 VanDerWaalsContact CA-CZ3 3.48Å; G337-W341 PolarHBondContact O-N 3.31Å; W341-T343 PolarHBondContact O-N 2.87Å; W341-T343 VanDerWaalsContact O-N 3.16Å; W341-D344 HydrophobicContact CB-CB 4.38Å; W341-D344 WeakPolarHBondContact O-CB 3.32Å; W341-D344 PolarHBondContact O-N 3.27Å; W341-I345 PolarHBondContact O-N 3.05Å
342D85.4Confident87.6Confident57 Ų5773.5 Ų73.531%0.30538%0.38SS..THydrogen-bonded Turntrans-59.6-30.3-179.6-162.142000111.8H333 R338H333-D342 IonicContact CE1-OD1 3.48Å; H333-D342 PolarHBondContact CE1-OD1 2.86Å; H333-D342 IonicContact ND1-OD1 3.96Å; R338-D342 HydrophobicContact CG-CB 3.79Å; R338-D342 IonicContact NE-OD2 3.42Å; R338-D342 PolarHBondContact NE-OD2 3.29Å; R338-D342 WeakPolarHBondContact O-CB 3.39Å; R338-D342 PolarHBondContact O-N 3.5Å; R338-D342 VanDerWaalsContact O-N 3.13Å
343T88.8Confident87.4Confident111 Ų11177 Ų7768%0.68142%0.417SS*.THydrogen-bonded Turntrans-91.3-8.1174.767.70000114.3W341 R363W341-T343 PolarHBondContact O-N 2.87Å; W341-T343 VanDerWaalsContact O-N 3.16Å; T343-R363 PolarHBondContact OG1-NH2 3.27Å
344D91.8Very high87.4Confident9 Ų976.6 Ų76.65%0.04842%0.415CS..THydrogen-bonded Turntrans-89.3-16.2-177-72.7-4000112.5W341 F362 R363W341-D344 HydrophobicContact CB-CB 4.38Å; W341-D344 WeakPolarHBondContact O-CB 3.32Å; W341-D344 PolarHBondContact O-N 3.27Å; D344-F362 CarbonylContact O-C 3.45Å; D344-F362 WeakPolarHBondContact O-CA 3.48Å; D344-R363 HydrophobicContact CB-CG 3.88Å; D344-R363 PolarHBondContact O-N 2.99Å; D344-R363 IonicContact OD1-CZ 3.81Å; D344-R363 IonicContact OD1-NE 3.48Å; D344-R363 PolarHBondContact OD1-NE 3.4Å; D344-R363 IonicContact OD1-NH2 2.77Å; D344-R363 PolarHBondContact OD1-NH2 2.93Å
345I92.4Very high87.3Confident8 Ų871.7 Ų71.74%0.04140%0.402CS..EExtended strand (participates in β ladder)trans-122.4127.7-175-60.1162.4000109.7F302 I332 W341 W347 I359 F362F302-I345 HydrophobicContact CD1-CD1 3.83Å; F302-I345 HydrophobicContact CD1-CG1 4.08Å; F302-I345 HydrophobicContact CD2-CD1 3.9Å; F302-I345 HydrophobicContact CE1-CD1 3.85Å; F302-I345 HydrophobicContact CE1-CG1 3.86Å; F302-I345 HydrophobicContact CE2-CD1 3.95Å; F302-I345 HydrophobicContact CG-CD1 3.86Å; F302-I345 HydrophobicContact CZ-CD1 3.92Å; F302-I345 HydrophobicContact CZ-CG1 4.21Å; I332-I345 HydrophobicContact CD1-CD1 3.32Å; I332-I345 HydrophobicContact CG1-CD1 4.48Å; W341-I345 PolarHBondContact O-N 3.05Å; I345-W347 HydrophobicContact CB-CZ2 4.44Å; I345-W347 HydrophobicContact CD1-CZ2 4.33Å; I345-W347 HydrophobicContact CG2-CD2 3.97Å; I345-W347 HydrophobicContact CG2-CG 4.42Å; I345-W347 HydrophobicContact CG2-CH2 4.31Å; I345-W347 HydrophobicContact CG2-CZ2 3.73Å; I345-I359 HydrophobicContact CG2-CG1 4.33Å; I345-I359 HydrophobicContact CG2-CG2 3.94Å; I345-F362 HydrophobicContact CB-CB 4.49Å; I345-F362 HydrophobicContact CG1-CB 3.96Å
346V92.8Very high87.6Confident82 Ų8272.2 Ų72.250%0.49740%0.4SS..EExtended strand (participates in β ladder)trans-99.1109.1173.2-177.60000108.6K360 A361V346-K360 HydrophobicContact CG1-CB 4.35Å; V346-K360 PolarHBondContact O-N 3.3Å; V346-A361 HydrophobicContact CB-CB 4.35Å; V346-A361 HydrophobicContact CG2-CB 4.48Å; V346-A361 PolarHBondContact N-O 3.12Å
347W90.6Very high87.9Confident39 Ų3972.9 Ų72.915%0.14839%0.387CS..EExtended strand (participates in β ladder)trans-82.3160174.9-5797.9000111.7L328 K329 I332 I345 L358 I359L328-W347 HydrophobicContact CG-CH2 4.45Å; K329-W347 HydrophobicContact CB-CH2 3.63Å; K329-W347 HydrophobicContact CB-CZ2 3.95Å; K329-W347 HydrophobicContact CB-CZ3 4.02Å; K329-W347 HydrophobicContact CD-CD2 4.25Å; K329-W347 HydrophobicContact CD-CE3 4.24Å; K329-W347 HydrophobicContact CD-CZ3 4.38Å; K329-W347 HydrophobicContact CG-CD2 4.43Å; K329-W347 HydrophobicContact CG-CH2 4.04Å; K329-W347 HydrophobicContact CG-CZ2 3.92Å; K329-W347 HydrophobicContact CG-CZ3 4.35Å; I332-W347 HydrophobicContact CD1-CH2 4.32Å; I332-W347 HydrophobicContact CD1-CZ2 3.72Å; I345-W347 HydrophobicContact CB-CZ2 4.44Å; I345-W347 HydrophobicContact CD1-CZ2 4.33Å; I345-W347 HydrophobicContact CG2-CD2 3.97Å; I345-W347 HydrophobicContact CG2-CG 4.42Å; I345-W347 HydrophobicContact CG2-CH2 4.31Å; I345-W347 HydrophobicContact CG2-CZ2 3.73Å; W347-L358 CarbonylContact C-O 3.42Å; W347-L358 WeakPolarHBondContact CA-O 3.48Å; W347-I359 HydrophobicContact CE3-CG1 3.92Å; W347-I359 HydrophobicContact CH2-CD1 4.3Å; W347-I359 HydrophobicContact CH2-CG1 4Å; W347-I359 HydrophobicContact CZ3-CD1 4.18Å; W347-I359 HydrophobicContact CZ3-CG1 3.47Å; W347-I359 VanDerWaalsContact CZ3-CG1 3.47Å
348G89.5Confident88.3Confident6 Ų677.1 Ų77.16%0.06241%0.408CS..  trans-60.8141.517300000112.4P350 D355 L358G348-P350 WeakPolarHBondContact O-CD 3.47Å; G348-D355 WeakPolarHBondContact CA-O 3.38Å; G348-L358 PolarHBondContact N-O 3.29Å
349D88.5Confident88.6Confident55 Ų5571.1 Ų71.129%0.29439%0.387SS..  trans-92.8111.3178.1-175.9-0.5000110.2K351 K352 E354D349-K351 PolarHBondContact O-N 3.47Å; D349-K351 VanDerWaalsContact O-N 3.09Å; D349-K351 VanDerWaalsContact OD1-CB 3.27Å; D349-K351 WeakPolarHBondContact OD1-CB 3.42Å; D349-K351 WeakPolarHBondContact OD1-CG 3.19Å; D349-K351 PolarHBondContact OD1-N 3.3Å; D349-K352 HydrophobicContact CB-CB 4.4Å; D349-K352 HydrophobicContact CB-CD 4.24Å; D349-K352 HydrophobicContact CB-CG 4.23Å; D349-K352 PolarHBondContact O-N 3.17Å; D349-E354 PolarHBondContact N-OE2 3.29Å; D349-E354 VanDerWaalsContact N-OE2 3.11Å; D349-E354 WeakPolarHBondContact O-CB 3.47Å; D349-E354 PolarHBondContact O-N 2.92Å
350P87.3Confident88.8Confident82 Ų8269.2 Ų69.253%0.53237%0.366SS..G310 helixtrans-59.9-24.1178.424.2-33.1000112.4G348 K352 G353 E354 Q356G348-P350 WeakPolarHBondContact O-CD 3.47Å; P350-K352 PolarHBondContact O-N 2.86Å; P350-G353 PolarHBondContact O-N 3.14Å; P350-G353 VanDerWaalsContact O-N 3.13Å; P350-E354 WeakPolarHBondContact CA-O 3.31Å; P350-Q356 HydrophobicContact CG-CB 4.48Å
351K89.3Confident89.1Confident191 Ų19165 Ų6583%0.8335%0.347SS*.G310 helixtrans-67.5-20.5175.2-60.4-179.8178.91790113.1D349D349-K351 PolarHBondContact O-N 3.47Å; D349-K351 VanDerWaalsContact O-N 3.09Å; D349-K351 VanDerWaalsContact OD1-CB 3.27Å; D349-K351 WeakPolarHBondContact OD1-CB 3.42Å; D349-K351 WeakPolarHBondContact OD1-CG 3.19Å; D349-K351 PolarHBondContact OD1-N 3.3Å
352K87Confident89.4Confident148 Ų14864.2 Ų64.264%0.64334%0.344SS*.G310 helixtrans-966175.9-65.5-178.6-177.7176.40112.9D349 P350 E354D349-K352 HydrophobicContact CB-CB 4.4Å; D349-K352 HydrophobicContact CB-CD 4.24Å; D349-K352 HydrophobicContact CB-CG 4.23Å; D349-K352 PolarHBondContact O-N 3.17Å; P350-K352 PolarHBondContact O-N 2.86Å; K352-E354 VanDerWaalsContact C-N 3.25Å; K352-E354 HydrophobicContact CB-CG 4.04Å
353G86.7Confident89.8Confident75 Ų7565.3 Ų65.377%0.77334%0.344SS*.THydrogen-bonded Turntrans73.418.3-172.600000113.3P350P350-G353 PolarHBondContact O-N 3.14Å; P350-G353 VanDerWaalsContact O-N 3.13Å
354E86.6Confident90.1Very high54 Ų5460 Ų6025%0.25231%0.312SS..  trans-91.2149.1177.3-59.1173.5166.900110.1D349 P350 K352 Q356 K360D349-E354 PolarHBondContact N-OE2 3.29Å; D349-E354 VanDerWaalsContact N-OE2 3.11Å; D349-E354 WeakPolarHBondContact O-CB 3.47Å; D349-E354 PolarHBondContact O-N 2.92Å; P350-E354 WeakPolarHBondContact CA-O 3.31Å; K352-E354 VanDerWaalsContact C-N 3.25Å; K352-E354 HydrophobicContact CB-CG 4.04Å; E354-Q356 PolarHBondContact O-N 2.63Å; E354-K360 IonicContact OE1-NZ 2.88Å; E354-K360 PolarHBondContact OE1-NZ 3.3Å; E354-K360 VanDerWaalsContact OE2-CD 3.25Å; E354-K360 WeakPolarHBondContact OE2-CD 3.26Å; E354-K360 WeakPolarHBondContact OE2-CE 3.35Å; E354-K360 IonicContact OE2-NZ 2.65Å; E354-K360 PolarHBondContact OE2-NZ 3.44Å
355D85.5Confident90.2Very high83 Ų8360.8 Ų60.844%0.44432%0.315SS..  trans-67.9124.3175.1-177.62.9000110.1G348 Y357 L358G348-D355 WeakPolarHBondContact CA-O 3.38Å; D355-Y357 PolarHBondContact O-N 2.94Å; D355-Y357 VanDerWaalsContact O-N 3.08Å; D355-Y357 WeakPolarHBondContact OD1-CD2 3.31Å; D355-Y357 PolarHBondContact OD1-N 2.93Å; D355-Y357 VanDerWaalsContact OD1-N 3.11Å; D355-L358 HydrophobicContact CB-CB 4.12Å; D355-L358 VanDerWaalsContact O-CB 3.31Å; D355-L358 WeakPolarHBondContact O-CB 3.48Å; D355-L358 PolarHBondContact O-N 2.88Å
356Q87.8Confident90.2Very high77 Ų7760.5 Ų60.536%0.3631%0.313SS..THydrogen-bonded Turntrans-62.8-14.7-179.368.6176.1-300113.9K329 P350 E354K329-Q356 PolarHBondContact NZ-O 3.37Å; P350-Q356 HydrophobicContact CG-CB 4.48Å; E354-Q356 PolarHBondContact O-N 2.63Å
357Y86.3Confident90.2Very high64 Ų6456.8 Ų56.825%0.25129%0.291SS..THydrogen-bonded Turntrans-101-1.9176.7-55.8-80.8000113.4V326 K329 D355V326-Y357 HydrophobicContact CB-CD1 4.3Å; V326-Y357 HydrophobicContact CB-CE1 4.28Å; V326-Y357 HydrophobicContact CG1-CE1 4.11Å; V326-Y357 HydrophobicContact CG2-CD1 3.9Å; V326-Y357 HydrophobicContact CG2-CD2 4.27Å; V326-Y357 HydrophobicContact CG2-CE1 3.96Å; V326-Y357 HydrophobicContact CG2-CE2 4.32Å; V326-Y357 HydrophobicContact CG2-CG 4.06Å; K329-Y357 HydrophobicContact CB-CD1 4.33Å; K329-Y357 HydrophobicContact CD-CD1 3.61Å; K329-Y357 HydrophobicContact CD-CE1 3.94Å; D355-Y357 PolarHBondContact O-N 2.94Å; D355-Y357 VanDerWaalsContact O-N 3.08Å; D355-Y357 WeakPolarHBondContact OD1-CD2 3.31Å; D355-Y357 PolarHBondContact OD1-N 2.93Å; D355-Y357 VanDerWaalsContact OD1-N 3.11Å
358L88.9Confident90.2Very high91 Ų9154.9 Ų54.948%0.47628%0.284SS..  trans-76.1128.1175.2-179.367.3000110.2W347 G348 D355 K360W347-L358 CarbonylContact C-O 3.42Å; W347-L358 WeakPolarHBondContact CA-O 3.48Å; G348-L358 PolarHBondContact N-O 3.29Å; D355-L358 HydrophobicContact CB-CB 4.12Å; D355-L358 VanDerWaalsContact O-CB 3.31Å; D355-L358 WeakPolarHBondContact O-CB 3.48Å; D355-L358 PolarHBondContact O-N 2.88Å; L358-K360 PolarHBondContact O-N 3.39Å
359I91Very high90.1Very high18 Ų1860 Ų609%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-82.6116.2171.2-56.8171.7000108.2P268 L271 L328 I345 W347 F362P268-I359 HydrophobicContact CG-CB 4.49Å; P268-I359 HydrophobicContact CG-CG2 4.08Å; P268-I359 WeakPolarHBondContact CG-O 3.38Å; L271-I359 HydrophobicContact CD1-CD1 3.96Å; L328-I359 HydrophobicContact CD2-CD1 3.73Å; I345-I359 HydrophobicContact CG2-CG1 4.33Å; I345-I359 HydrophobicContact CG2-CG2 3.94Å; W347-I359 HydrophobicContact CE3-CG1 3.92Å; W347-I359 HydrophobicContact CH2-CD1 4.3Å; W347-I359 HydrophobicContact CH2-CG1 4Å; W347-I359 HydrophobicContact CZ3-CD1 4.18Å; W347-I359 HydrophobicContact CZ3-CG1 3.47Å; W347-I359 VanDerWaalsContact CZ3-CG1 3.47Å; I359-F362 HydrophobicContact CG2-CB 4.35Å; I359-F362 HydrophobicContact CG2-CD1 3.86Å
360K91.2Very high89.7Confident78 Ų7858.2 Ų58.234%0.33930%0.299SS..EExtended strand (participates in β ladder)trans-88.8-36.8178.2-65-172.973.5169.80113P268 V346 E354 L358P268-K360 WeakPolarHBondContact CD-O 3.26Å; V346-K360 HydrophobicContact CG1-CB 4.35Å; V346-K360 PolarHBondContact O-N 3.3Å; E354-K360 IonicContact OE1-NZ 2.88Å; E354-K360 PolarHBondContact OE1-NZ 3.3Å; E354-K360 VanDerWaalsContact OE2-CD 3.25Å; E354-K360 WeakPolarHBondContact OE2-CD 3.26Å; E354-K360 WeakPolarHBondContact OE2-CE 3.35Å; E354-K360 IonicContact OE2-NZ 2.65Å; E354-K360 PolarHBondContact OE2-NZ 3.44Å; L358-K360 PolarHBondContact O-N 3.39Å
361A94.1Very high89.5Confident17 Ų1754.3 Ų54.314%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-157.6153.7176.700000108.3I265 V346I265-A361 VanDerWaalsContact O-CA 3.25Å; I265-A361 WeakPolarHBondContact O-CA 3.5Å; I265-A361 WeakPolarHBondContact O-CB 3.3Å; V346-A361 HydrophobicContact CB-CB 4.35Å; V346-A361 HydrophobicContact CG2-CB 4.48Å; V346-A361 PolarHBondContact N-O 3.12Å
362F95Very high89.1Confident4 Ų447.5 Ų47.52%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-147.6160.4169.164.9-97.4000110.3I265 P268 L280 F301 F302 D344 I345 I359 F364I265-F362 HydrophobicContact CB-CD2 4.47Å; I265-F362 HydrophobicContact CB-CE1 4.23Å; I265-F362 HydrophobicContact CB-CE2 4.18Å; I265-F362 HydrophobicContact CB-CZ 4.04Å; I265-F362 HydrophobicContact CD1-CD2 4.5Å; I265-F362 HydrophobicContact CD1-CE1 4.34Å; I265-F362 HydrophobicContact CD1-CE2 3.51Å; I265-F362 HydrophobicContact CD1-CZ 3.4Å; I265-F362 VanDerWaalsContact CD1-CZ 3.4Å; I265-F362 HydrophobicContact CG1-CE2 4.15Å; I265-F362 HydrophobicContact CG1-CZ 4.2Å; I265-F362 HydrophobicContact CG2-CE1 4.17Å; I265-F362 HydrophobicContact CG2-CZ 4.24Å; I265-F362 PolarHBondContact N-O 3.24Å; I265-F362 PolarHBondContact O-N 3.42Å; I265-F362 VanDerWaalsContact O-N 3.16Å; P268-F362 HydrophobicContact CB-CD1 3.89Å; P268-F362 HydrophobicContact CB-CE1 3.61Å; P268-F362 HydrophobicContact CG-CD1 4.48Å; L280-F362 HydrophobicContact CD1-CZ 4.13Å; L280-F362 HydrophobicContact CD2-CZ 3.85Å; F301-F362 HydrophobicContact CE2-CD2 4.08Å; F301-F362 AromaticContact CE2-CE2 3.55Å; F301-F362 HydrophobicContact CE2-CE2 3.55Å; F301-F362 HydrophobicContact CE2-CZ 4.36Å; F301-F362 AromaticContact CZ-CE2 3.87Å; F301-F362 HydrophobicContact CZ-CE2 3.87Å; F301-F362 HydrophobicContact CZ-CZ 4.33Å; F302-F362 HydrophobicContact CE1-CB 3.87Å; F302-F362 HydrophobicContact CE1-CD1 4.47Å; F302-F362 AromaticContact CE1-CD2 3.58Å; F302-F362 HydrophobicContact CE1-CD2 3.58Å; F302-F362 HydrophobicContact CE1-CE2 4.18Å; F302-F362 AromaticContact CE1-CG 3.74Å; F302-F362 HydrophobicContact CE1-CG 3.74Å; F302-F362 HydrophobicContact CZ-CB 4.4Å; F302-F362 HydrophobicContact CZ-CD1 4.43Å; F302-F362 HydrophobicContact CZ-CD2 4.25Å; F302-F362 HydrophobicContact CZ-CG 4.13Å; D344-F362 CarbonylContact O-C 3.45Å; D344-F362 WeakPolarHBondContact O-CA 3.48Å; I345-F362 HydrophobicContact CB-CB 4.49Å; I345-F362 HydrophobicContact CG1-CB 3.96Å; I359-F362 HydrophobicContact CG2-CB 4.35Å; I359-F362 HydrophobicContact CG2-CD1 3.86Å; F362-F364 HydrophobicContact CE2-CD1 4.18Å
363R95.1Very high88.9Confident79 Ų7943.4 Ų43.430%0.29823%0.234SC..EExtended strand (participates in β ladder)trans-120.8154.717273-179.7-175.4-171.9-7.1111.4V263 V264 T343 D344V263-R363 CarbonylContact O-C 3.42Å; V263-R363 VanDerWaalsContact O-CA 3.22Å; V263-R363 WeakPolarHBondContact O-CA 3.37Å; V264-R363 HydrophobicContact CB-CB 4.41Å; V264-R363 HydrophobicContact CG2-CB 3.91Å; T343-R363 PolarHBondContact OG1-NH2 3.27Å; D344-R363 HydrophobicContact CB-CG 3.88Å; D344-R363 PolarHBondContact O-N 2.99Å; D344-R363 IonicContact OD1-CZ 3.81Å; D344-R363 IonicContact OD1-NE 3.48Å; D344-R363 PolarHBondContact OD1-NE 3.4Å; D344-R363 IonicContact OD1-NH2 2.77Å; D344-R363 PolarHBondContact OD1-NH2 2.93Å
364F94.2Very high88.8Confident1 Ų140.6 Ų40.60%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-136.2165.9166.964.5-87.6000109V263 I265 L284 L287 T299 I300 F301 F362 I366V263-F364 HydrophobicContact CB-CD1 4.15Å; V263-F364 HydrophobicContact CB-CD2 4.13Å; V263-F364 HydrophobicContact CB-CE1 3.76Å; V263-F364 HydrophobicContact CB-CE2 3.74Å; V263-F364 HydrophobicContact CB-CG 4.33Å; V263-F364 HydrophobicContact CB-CZ 3.56Å; V263-F364 HydrophobicContact CG1-CD1 4.4Å; V263-F364 HydrophobicContact CG1-CE1 3.58Å; V263-F364 HydrophobicContact CG1-CE2 4.09Å; V263-F364 HydrophobicContact CG1-CZ 3.41Å; V263-F364 VanDerWaalsContact CG1-CZ 3.41Å; V263-F364 HydrophobicContact CG2-CD2 4.46Å; V263-F364 HydrophobicContact CG2-CE2 3.94Å; V263-F364 HydrophobicContact CG2-CZ 4.13Å; V263-F364 PolarHBondContact N-O 3.49Å; V263-F364 PolarHBondContact O-N 2.82Å; I265-F364 HydrophobicContact CD1-CD1 4.43Å; I265-F364 HydrophobicContact CD1-CE1 3.81Å; I265-F364 HydrophobicContact CG1-CE1 4.25Å; L284-F364 HydrophobicContact CD1-CD2 4.1Å; L284-F364 HydrophobicContact CD1-CE2 3.57Å; L284-F364 HydrophobicContact CD1-CZ 4.23Å; L287-F364 HydrophobicContact CD1-CE2 4.13Å; L287-F364 HydrophobicContact CD1-CZ 3.77Å; T299-F364 HydrophobicContact CG2-CD2 4.43Å; I300-F364 WeakPolarHBondContact O-CB 3.3Å; F301-F364 HydrophobicContact CB-CB 3.92Å; F301-F364 HydrophobicContact CD2-CB 3.48Å; F301-F364 VanDerWaalsContact CD2-CB 3.48Å; F301-F364 HydrophobicContact CD2-CD1 4.34Å; F301-F364 HydrophobicContact CD2-CG 4.05Å; F301-F364 HydrophobicContact CE2-CB 4.19Å; F301-F364 HydrophobicContact CE2-CD1 4.29Å; F301-F364 HydrophobicContact CE2-CG 4.46Å; F301-F364 HydrophobicContact CG-CB 3.87Å; F301-F364 HydrophobicContact CG-CG 4.24Å; F362-F364 HydrophobicContact CE2-CD1 4.18Å; F364-I366 HydrophobicContact CD2-CG2 4.01Å; F364-I366 HydrophobicContact CE2-CG2 3.73Å
365Q94.3Very high88.7Confident25 Ų2541.4 Ų41.412%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-115.1142-176.6-53.6177.96.400110A261 H262 T299 I300A261-Q365 CarbonylContact O-C 3.19Å; A261-Q365 WeakPolarHBondContact O-CA 3.41Å; H262-Q365 PolarHBondContact CE1-NE2 2.91Å; T299-Q365 CarbonylContact C-O 3.5Å; T299-Q365 VanDerWaalsContact CA-O 3.25Å; T299-Q365 WeakPolarHBondContact CA-O 3.37Å; I300-Q365 HydrophobicContact CB-CB 4.23Å; I300-Q365 PolarHBondContact N-O 3.37Å; I300-Q365 PolarHBondContact O-N 2.98Å
366I93.7Very high88.7Confident2 Ų241 Ų411%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-121.7138.6172.962.3175.3000109.4A261 V263 L287 G298 T299 F364 L368 L384A261-I366 HydrophobicContact CB-CG1 4.03Å; A261-I366 PolarHBondContact N-O 3.49Å; A261-I366 PolarHBondContact O-N 3.27Å; V263-I366 HydrophobicContact CG2-CD1 3.86Å; V263-I366 HydrophobicContact CG2-CG1 3.99Å; V263-I366 HydrophobicContact CG2-CG2 4.17Å; L287-I366 HydrophobicContact CB-CD1 4.42Å; G298-I366 CarbonylContact O-C 3.53Å; T299-I366 HydrophobicContact CG2-CG2 4.5Å; F364-I366 HydrophobicContact CD2-CG2 4.01Å; F364-I366 HydrophobicContact CE2-CG2 3.73Å; I366-L368 HydrophobicContact CD1-CD2 4.34Å; I366-L368 HydrophobicContact CG1-CD2 4.4Å; I366-L384 HydrophobicContact CD1-CD1 4.46Å; I366-L384 HydrophobicContact CD1-CD2 3.64Å
367G91.8Very high88.8Confident3 Ų337.8 Ų37.83%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-81.9118.9175.800000111M259 T293 L294 G298M259-G367 CarbonylContact O-C 3.58Å; T293-G367 CarbonylContact C-O 3.53Å; T293-G367 WeakPolarHBondContact CA-O 3.27Å; T293-G367 WeakPolarHBondContact CB-O 3.29Å; L294-G367 PolarHBondContact N-O 3.5Å; G298-G367 PolarHBondContact O-N 2.97Å
368L91.2Very high88.9Confident0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-83.7147173.5-56.2-176.5000110.8G258 M259 A261 Y292 T293 I366 F371 V380 L384 W403G258-L368 WeakPolarHBondContact CA-O 3.16Å; M259-L368 PolarHBondContact N-O 3.31Å; M259-L368 PolarHBondContact O-N 3.25Å; A261-L368 HydrophobicContact CB-CD1 3.81Å; A261-L368 HydrophobicContact CB-CD2 4.03Å; A261-L368 HydrophobicContact CB-CG 3.85Å; Y292-L368 WeakPolarHBondContact O-CA 3.34Å; T293-L368 HydrophobicContact CG2-CD2 4.34Å; I366-L368 HydrophobicContact CD1-CD2 4.34Å; I366-L368 HydrophobicContact CG1-CD2 4.4Å; L368-F371 HydrophobicContact CD1-CD2 3.89Å; L368-F371 HydrophobicContact CD1-CE2 4.07Å; L368-F371 HydrophobicContact CD1-CG 4.39Å; L368-V380 HydrophobicContact CD1-CG1 4.13Å; L368-V380 HydrophobicContact CD2-CG1 3.9Å; L368-L384 HydrophobicContact CD2-CD1 3.91Å; L368-W403 HydrophobicContact CD1-CH2 4.4Å
369K86.8Confident89Confident114 Ų11432.8 Ų32.850%0.49618%0.179SC..  trans-120.9140.6176.7-175.4-178.3176.1-174.30110.2Y292 L294Y292-K369 PolarHBondContact O-N 2.9Å; L294-K369 HydrophobicContact CD2-CB 4.09Å; L294-K369 HydrophobicContact CD2-CD 4.42Å; L294-K369 HydrophobicContact CD2-CG 4.29Å
370G80.9Confident88.9Confident17 Ų1732 Ų3218%0.17518%0.175CC..SBendtrans68.447.3175.500000113.7E376G370-E376 VanDerWaalsContact O-CB 3.31Å; G370-E376 WeakPolarHBondContact O-CB 3.42Å
371F82.9Confident89Confident0 Ų028.3 Ų28.30%016%0.159CC..  trans-105.148.8-173.2-159.8-95.3000112.7M259 L368 Q377 V380 F402 W403 V406M259-F371 HydrophobicContact SD-CD1 3.72Å; M259-F371 HydrophobicContact SD-CE1 4.46Å; L368-F371 HydrophobicContact CD1-CD2 3.89Å; L368-F371 HydrophobicContact CD1-CE2 4.07Å; L368-F371 HydrophobicContact CD1-CG 4.39Å; F371-Q377 HydrophobicContact CD1-CG 3.84Å; F371-Q377 HydrophobicContact CD2-CB 4.32Å; F371-Q377 HydrophobicContact CD2-CG 3.91Å; F371-Q377 HydrophobicContact CE1-CB 4.31Å; F371-Q377 HydrophobicContact CE1-CG 3.56Å; F371-Q377 HydrophobicContact CE2-CB 3.72Å; F371-Q377 HydrophobicContact CE2-CG 3.66Å; F371-Q377 HydrophobicContact CG-CG 3.99Å; F371-Q377 HydrophobicContact CZ-CB 3.7Å; F371-Q377 HydrophobicContact CZ-CG 3.46Å; F371-Q377 VanDerWaalsContact CZ-CG 3.46Å; F371-V380 HydrophobicContact CD2-CB 4.25Å; F371-V380 HydrophobicContact CD2-CG1 4.26Å; F371-V380 HydrophobicContact CD2-CG2 4.24Å; F371-V380 HydrophobicContact CE2-CB 4.27Å; F371-V380 HydrophobicContact CE2-CG1 4.29Å; F371-F402 HydrophobicContact CD1-CD2 4.28Å; F371-F402 HydrophobicContact CE1-CB 3.85Å; F371-F402 AromaticContact CE1-CD2 3.71Å; F371-F402 HydrophobicContact CE1-CD2 3.71Å; F371-F402 HydrophobicContact CE1-CG 4.11Å; F371-F402 HydrophobicContact CZ-CB 4.23Å; F371-W403 HydrophobicContact CE2-CH2 4.32Å; F371-W403 AromaticContact CE2-CZ3 3.67Å; F371-W403 HydrophobicContact CE2-CZ3 3.67Å; F371-W403 HydrophobicContact CZ-CE3 4.26Å; F371-W403 AromaticContact CZ-CZ3 3.59Å; F371-W403 HydrophobicContact CZ-CZ3 3.59Å; F371-V406 HydrophobicContact CZ-CG2 4.18Å
372D80.8Confident88.9Confident48 Ų4833 Ų3326%0.25718%0.176SC..  trans-104.4-48.6-177-170.945.4000113.7T252 R255 M256T252-D372 WeakPolarHBondContact CG2-OD2 3.29Å; R255-D372 IonicContact CZ-OD1 3.49Å; R255-D372 IonicContact NH1-OD1 3.88Å; R255-D372 PolarHBondContact NH1-OD1 2.78Å; R255-D372 IonicContact NH2-OD1 2.58Å; R255-D372 PolarHBondContact NH2-OD1 3.41Å; M256-D372 HydrophobicContact CG-CB 4.45Å; M256-D372 HydrophobicContact SD-CB 3.73Å
373T82.5Confident88.7Confident62 Ų6235.2 Ų35.238%0.3819%0.186SC..SBendtrans-89.2148.9-176.166.70000112.3S375 E376 Q377T373-S375 PolarHBondContact O-N 3.11Å; T373-E376 PolarHBondContact N-OE2 3.22Å; T373-E376 PolarHBondContact O-N 2.88Å; T373-E376 VanDerWaalsContact O-N 3.1Å; T373-E376 WeakPolarHBondContact OG1-CB 3.24Å; T373-E376 WeakPolarHBondContact OG1-CG 3.36Å; T373-E376 PolarHBondContact OG1-N 2.86Å; T373-E376 PolarHBondContact OG1-OE2 2.92Å; T373-Q377 VanDerWaalsContact O-CG 3.23Å; T373-Q377 WeakPolarHBondContact O-CG 3.33Å; T373-Q377 PolarHBondContact O-N 3.49Å
374A84.3Confident88.6Confident16 Ų1631.4 Ų31.413%0.13217%0.172CC..Hα-helixtrans-55.4-38.5178.400000112.5E230 Q377 V378 Y409E230-A374 WeakPolarHBondContact O-CB 3.4Å; A374-Q377 PolarHBondContact O-N 2.87Å; A374-V378 WeakPolarHBondContact O-CB 3.32Å; A374-V378 VanDerWaalsContact O-CG2 3.25Å; A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.34Å; A374-Y409 HydrophobicContact CB-CD2 3.61Å; A374-Y409 HydrophobicContact CB-CE2 3.79Å; A374-Y409 HydrophobicContact CB-CG 4.16Å
375S84.2Confident88.5Confident71 Ų7135.6 Ų35.650%0.49719%0.188SC..Hα-helixtrans-63.2-43.9176.3-55.30000113T373 V378 A379T373-S375 PolarHBondContact O-N 3.11Å; S375-V378 PolarHBondContact O-N 2.93Å; S375-A379 PolarHBondContact O-N 3.04Å
376E86.4Confident88.5Confident74 Ų7440.9 Ų40.935%0.34621%0.21SC..Hα-helixtrans-65.2-44.4175.3-71.6161.9160.600111G370 T373 V378 A379 V380G370-E376 VanDerWaalsContact O-CB 3.31Å; G370-E376 WeakPolarHBondContact O-CB 3.42Å; T373-E376 PolarHBondContact N-OE2 3.22Å; T373-E376 PolarHBondContact O-N 2.88Å; T373-E376 VanDerWaalsContact O-N 3.1Å; T373-E376 WeakPolarHBondContact OG1-CB 3.24Å; T373-E376 WeakPolarHBondContact OG1-CG 3.36Å; T373-E376 PolarHBondContact OG1-N 2.86Å; T373-E376 PolarHBondContact OG1-OE2 2.92Å; E376-V378 VanDerWaalsContact C-N 3.32Å; E376-V378 PolarHBondContact O-N 3.39Å; E376-A379 WeakPolarHBondContact O-CB 3.43Å; E376-A379 PolarHBondContact O-N 2.99Å; E376-A379 VanDerWaalsContact O-N 3.08Å; E376-V380 VanDerWaalsContact O-CG2 3.3Å; E376-V380 WeakPolarHBondContact O-CG2 3.45Å; E376-V380 PolarHBondContact O-N 3.35Å
377Q88.8Confident88.5Confident10 Ų1041 Ų415%0.04721%0.211CC..Hα-helixtrans-58.6-44.9178.1-64.9176.9-8.800111.5F371 T373 A374 A379 V380 V381 V406F371-Q377 HydrophobicContact CD1-CG 3.84Å; F371-Q377 HydrophobicContact CD2-CB 4.32Å; F371-Q377 HydrophobicContact CD2-CG 3.91Å; F371-Q377 HydrophobicContact CE1-CB 4.31Å; F371-Q377 HydrophobicContact CE1-CG 3.56Å; F371-Q377 HydrophobicContact CE2-CB 3.72Å; F371-Q377 HydrophobicContact CE2-CG 3.66Å; F371-Q377 HydrophobicContact CG-CG 3.99Å; F371-Q377 HydrophobicContact CZ-CB 3.7Å; F371-Q377 HydrophobicContact CZ-CG 3.46Å; F371-Q377 VanDerWaalsContact CZ-CG 3.46Å; T373-Q377 VanDerWaalsContact O-CG 3.23Å; T373-Q377 WeakPolarHBondContact O-CG 3.33Å; T373-Q377 PolarHBondContact O-N 3.49Å; A374-Q377 PolarHBondContact O-N 2.87Å; Q377-A379 VanDerWaalsContact C-N 3.35Å; Q377-A379 PolarHBondContact O-N 3.46Å; Q377-V380 PolarHBondContact O-N 3.48Å; Q377-V381 WeakPolarHBondContact O-CG2 3.38Å; Q377-V381 PolarHBondContact O-N 3Å; Q377-V406 HydrophobicContact CB-CG1 4.28Å; Q377-V406 HydrophobicContact CB-CG2 3.69Å
378V89.2Confident88.6Confident17 Ų1741.8 Ų41.810%0.10322%0.215CC..Hα-helixtrans-61.2-42.1174.4168.40000111.4A374 S375 E376 K382 V406 M410A374-V378 WeakPolarHBondContact O-CB 3.32Å; A374-V378 VanDerWaalsContact O-CG2 3.25Å; A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.34Å; S375-V378 PolarHBondContact O-N 2.93Å; E376-V378 VanDerWaalsContact C-N 3.32Å; E376-V378 PolarHBondContact O-N 3.39Å; V378-K382 HydrophobicContact CG1-CD 3.87Å; V378-K382 HydrophobicContact CG1-CG 4.35Å; V378-K382 WeakPolarHBondContact O-CB 3.07Å; V378-K382 VanDerWaalsContact O-CG 3.28Å; V378-K382 WeakPolarHBondContact O-CG 3.36Å; V378-K382 PolarHBondContact O-N 3.29Å; V378-V406 HydrophobicContact CB-CG1 4.29Å; V378-V406 HydrophobicContact CG2-CG1 3.71Å; V378-M410 HydrophobicContact CB-CG 4.35Å; V378-M410 HydrophobicContact CG1-CG 3.77Å; V378-M410 HydrophobicContact CG2-CG 3.9Å
379A89.7Confident88.7Confident33 Ų3345.8 Ų45.827%0.27324%0.243SC..Hα-helixtrans-63.5-45.5178.500000111.9Y292 S375 E376 Q377 K382 H383Y292-A379 HydrophobicContact CE1-CB 4.24Å; S375-A379 PolarHBondContact O-N 3.04Å; E376-A379 WeakPolarHBondContact O-CB 3.43Å; E376-A379 PolarHBondContact O-N 2.99Å; E376-A379 VanDerWaalsContact O-N 3.08Å; Q377-A379 VanDerWaalsContact C-N 3.35Å; Q377-A379 PolarHBondContact O-N 3.46Å; A379-K382 PolarHBondContact O-N 2.91Å; A379-H383 WeakPolarHBondContact O-CB 3.39Å; A379-H383 PolarHBondContact O-N 3.44Å
380V90.7Very high89Confident1 Ų146.8 Ų46.81%0.00624%0.244CC..Hα-helixtrans-60.8-49.9176.8174.60000110.8Y292 L368 F371 E376 Q377 K382 H383 L384 W403Y292-V380 HydrophobicContact CD1-CG2 3.58Å; Y292-V380 HydrophobicContact CE1-CG2 4.38Å; Y292-V380 HydrophobicContact CG-CG2 4.07Å; L368-V380 HydrophobicContact CD1-CG1 4.13Å; L368-V380 HydrophobicContact CD2-CG1 3.9Å; F371-V380 HydrophobicContact CD2-CB 4.25Å; F371-V380 HydrophobicContact CD2-CG1 4.26Å; F371-V380 HydrophobicContact CD2-CG2 4.24Å; F371-V380 HydrophobicContact CE2-CB 4.27Å; F371-V380 HydrophobicContact CE2-CG1 4.29Å; E376-V380 VanDerWaalsContact O-CG2 3.3Å; E376-V380 WeakPolarHBondContact O-CG2 3.45Å; E376-V380 PolarHBondContact O-N 3.35Å; Q377-V380 PolarHBondContact O-N 3.48Å; V380-K382 PolarHBondContact O-N 3.46Å; V380-H383 PolarHBondContact O-N 3Å; V380-L384 HydrophobicContact CG1-CD1 3.83Å; V380-L384 HydrophobicContact CG1-CG 4.35Å; V380-L384 WeakPolarHBondContact O-CG 3.5Å; V380-L384 PolarHBondContact O-N 2.98Å; V380-W403 HydrophobicContact CG1-CH2 4.44Å
381V91.8Very high89.6Confident0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-58.1-48.3177.5171.90000111.4Q377 H383 L384 R385 W403 V406 M410Q377-V381 WeakPolarHBondContact O-CG2 3.38Å; Q377-V381 PolarHBondContact O-N 3Å; V381-H383 VanDerWaalsContact C-N 3.3Å; V381-H383 PolarHBondContact O-N 3.14Å; V381-L384 PolarHBondContact O-N 3.39Å; V381-R385 HydrophobicContact CG1-CG 4.23Å; V381-R385 WeakPolarHBondContact O-CB 3.37Å; V381-R385 WeakPolarHBondContact O-CG 3.32Å; V381-R385 PolarHBondContact O-N 3.42Å; V381-W403 HydrophobicContact CB-CH2 4.19Å; V381-W403 HydrophobicContact CB-CZ2 4.25Å; V381-W403 HydrophobicContact CB-CZ3 4.47Å; V381-W403 HydrophobicContact CG1-CZ2 4.47Å; V381-W403 HydrophobicContact CG2-CD2 3.71Å; V381-W403 HydrophobicContact CG2-CE3 3.37Å; V381-W403 HydrophobicContact CG2-CH2 3.19Å; V381-W403 HydrophobicContact CG2-CZ2 3.5Å; V381-W403 VanDerWaalsContact CG2-CZ2 3.5Å; V381-W403 HydrophobicContact CG2-CZ3 3.12Å; V381-V406 HydrophobicContact CB-CG1 4.04Å; V381-V406 HydrophobicContact CG2-CB 3.93Å; V381-V406 HydrophobicContact CG2-CG1 3.49Å; V381-V406 VanDerWaalsContact CG2-CG1 3.49Å; V381-V406 HydrophobicContact CG2-CG2 4.25Å; V381-M410 HydrophobicContact CB-SD 4.4Å; V381-M410 HydrophobicContact CG1-SD 3.83Å
382K91.9Very high90.1Very high116 Ų11650.8 Ų50.850%0.50427%0.266SS..Hα-helixtrans-59.9-42.1179.7-79.2177.3178.2174.50111.2V378 A379 V380 K386 M410V378-K382 HydrophobicContact CG1-CD 3.87Å; V378-K382 HydrophobicContact CG1-CG 4.35Å; V378-K382 WeakPolarHBondContact O-CB 3.07Å; V378-K382 VanDerWaalsContact O-CG 3.28Å; V378-K382 WeakPolarHBondContact O-CG 3.36Å; V378-K382 PolarHBondContact O-N 3.29Å; A379-K382 PolarHBondContact O-N 2.91Å; V380-K382 PolarHBondContact O-N 3.46Å; K382-K386 VanDerWaalsContact O-CB 3.24Å; K382-K386 WeakPolarHBondContact O-CB 3.49Å; K382-K386 PolarHBondContact O-N 3.49Å; K382-M410 HydrophobicContact CD-CE 4.43Å; K382-M410 HydrophobicContact CG-CE 3.74Å; K382-M410 HydrophobicContact CG-SD 4.22Å
383H91.5Very high90.6Very high50 Ų5051.9 Ų51.923%0.23127%0.27CS..Hα-helixtrans-63.3-53.4176.5-175.781.8000111.4Y292 A379 V380 V381 R385 K386 T387Y292-H383 HydrophobicContact CD2-CB 3.9Å; Y292-H383 AromaticContact CD2-CD2 3.81Å; Y292-H383 AromaticContact CD2-CG 3.66Å; Y292-H383 HydrophobicContact CE2-CB 3.99Å; Y292-H383 AromaticContact CE2-CG 3.9Å; A379-H383 WeakPolarHBondContact O-CB 3.39Å; A379-H383 PolarHBondContact O-N 3.44Å; V380-H383 PolarHBondContact O-N 3Å; V381-H383 VanDerWaalsContact C-N 3.3Å; V381-H383 PolarHBondContact O-N 3.14Å; H383-R385 PolarHBondContact O-N 3.35Å; H383-K386 WeakPolarHBondContact O-CB 3.37Å; H383-K386 PolarHBondContact O-N 3.32Å; H383-K386 VanDerWaalsContact O-N 3.15Å; H383-T387 PolarHBondContact O-N 3.08Å; H383-T387 PolarHBondContact O-OG1 3.3Å
384L92.9Very high91Very high0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-59.1-44.5-179.1-69.6173.3000112.6L287 I366 L368 V380 V381 T387 V388 T398 W403L287-L384 HydrophobicContact CD2-CD2 3.71Å; I366-L384 HydrophobicContact CD1-CD1 4.46Å; I366-L384 HydrophobicContact CD1-CD2 3.64Å; L368-L384 HydrophobicContact CD2-CD1 3.91Å; V380-L384 HydrophobicContact CG1-CD1 3.83Å; V380-L384 HydrophobicContact CG1-CG 4.35Å; V380-L384 WeakPolarHBondContact O-CG 3.5Å; V380-L384 PolarHBondContact O-N 2.98Å; V381-L384 PolarHBondContact O-N 3.39Å; L384-T387 PolarHBondContact O-N 3.35Å; L384-V388 WeakPolarHBondContact O-CB 3.27Å; L384-V388 WeakPolarHBondContact O-CG2 3.47Å; L384-V388 PolarHBondContact O-N 2.99Å; L384-T398 HydrophobicContact CB-CG2 4.49Å; L384-W403 HydrophobicContact CD1-CH2 3.89Å; L384-W403 HydrophobicContact CD1-CZ2 3.83Å
385R92.8Very high91.4Very high89 Ų8951.8 Ų51.834%0.33627%0.265SS..Hα-helixtrans-65.3-38.7177.1-72.9-178.1175.3160-1.4112.2V381 H383 V388 S389 D407V381-R385 HydrophobicContact CG1-CG 4.23Å; V381-R385 WeakPolarHBondContact O-CB 3.37Å; V381-R385 WeakPolarHBondContact O-CG 3.32Å; V381-R385 PolarHBondContact O-N 3.42Å; H383-R385 PolarHBondContact O-N 3.35Å; R385-V388 PolarHBondContact O-N 2.9Å; R385-S389 WeakPolarHBondContact O-CB 3.39Å; R385-S389 PolarHBondContact O-N 3.37Å; R385-D407 IonicContact CZ-OD1 3.95Å; R385-D407 IonicContact CZ-OD2 3.74Å; R385-D407 IonicContact NH1-OD1 3.85Å; R385-D407 PolarHBondContact NH1-OD1 3.49Å; R385-D407 IonicContact NH2-OD1 3.76Å; R385-D407 PolarHBondContact NH2-OD1 3.39Å; R385-D407 IonicContact NH2-OD2 2.96Å; R385-D407 PolarHBondContact NH2-OD2 3.05Å
386K94Very high91.9Very high135 Ų13548.9 Ų48.959%0.58724%0.244SC*.Hα-helixtrans-63.8-43.4175.3-174.8179-178.6179.90111.1K382 H383 S389K382-K386 VanDerWaalsContact O-CB 3.24Å; K382-K386 WeakPolarHBondContact O-CB 3.49Å; K382-K386 PolarHBondContact O-N 3.49Å; H383-K386 WeakPolarHBondContact O-CB 3.37Å; H383-K386 PolarHBondContact O-N 3.32Å; H383-K386 VanDerWaalsContact O-N 3.15Å; K386-S389 PolarHBondContact O-N 3.19Å; K386-S389 PolarHBondContact O-OG 3.35Å
387T93.2Very high92.3Very high6 Ų648.2 Ų48.24%0.03725%0.245CC..Hα-helixtrans-61.4-50.4175.6-600000111.1L283 E286 L287 H383 L384 S389 R390L283-T387 HydrophobicContact CD1-CG2 4.48Å; E286-T387 HydrophobicContact CB-CG2 3.52Å; L287-T387 HydrophobicContact CD2-CG2 3.9Å; L287-T387 HydrophobicContact CG-CG2 4.18Å; H383-T387 PolarHBondContact O-N 3.08Å; H383-T387 PolarHBondContact O-OG1 3.3Å; L384-T387 PolarHBondContact O-N 3.35Å; T387-S389 VanDerWaalsContact C-N 3.3Å; T387-S389 PolarHBondContact O-N 2.91Å; T387-R390 WeakPolarHBondContact O-CB 3.35Å; T387-R390 PolarHBondContact O-N 2.67Å
388V93.5Very high92.5Very high19 Ų1948.7 Ų48.712%0.11525%0.249CC..Hα-helixtrans-59.7-37.2178.1156.40000113L287 L384 R385 R390 Y391 V396 T398L287-V388 HydrophobicContact CD2-CG2 4.35Å; L384-V388 WeakPolarHBondContact O-CB 3.27Å; L384-V388 WeakPolarHBondContact O-CG2 3.47Å; L384-V388 PolarHBondContact O-N 2.99Å; R385-V388 PolarHBondContact O-N 2.9Å; V388-R390 PolarHBondContact O-N 2.88Å; V388-R390 VanDerWaalsContact O-N 3.08Å; V388-Y391 PolarHBondContact O-N 3.25Å; V388-V396 HydrophobicContact CB-CB 4.43Å; V388-V396 HydrophobicContact CG1-CB 3.72Å; V388-V396 HydrophobicContact CG1-CG1 4.26Å; V388-V396 WeakPolarHBondContact CG1-O 3.22Å; V388-V396 HydrophobicContact CG2-CB 4.06Å; V388-V396 HydrophobicContact CG2-CG1 3.74Å; V388-T398 HydrophobicContact CG2-CG2 3.92Å
389S93.5Very high92.7Very high83 Ų8354.3 Ų54.358%0.5827%0.269SS*.THydrogen-bonded Turntrans-62.4-16.9179.872.60000114.5R385 K386 T387 Y391R385-S389 WeakPolarHBondContact O-CB 3.39Å; R385-S389 PolarHBondContact O-N 3.37Å; K386-S389 PolarHBondContact O-N 3.19Å; K386-S389 PolarHBondContact O-OG 3.35Å; T387-S389 VanDerWaalsContact C-N 3.3Å; T387-S389 PolarHBondContact O-N 2.91Å; S389-Y391 VanDerWaalsContact C-N 3.27Å; S389-Y391 PolarHBondContact O-N 3.29Å
390R93.8Very high92.9Very high136 Ų13653 Ų5351%0.51326%0.258SS..THydrogen-bonded Turntrans-78-9.5176.3-63.6175.2176174.6-5114E286 T387 V388 P392E286-R390 IonicContact OE2-CZ 2.63Å; E286-R390 IonicContact OE2-NH1 3.37Å; E286-R390 PolarHBondContact OE2-NH1 3.47Å; T387-R390 WeakPolarHBondContact O-CB 3.35Å; T387-R390 PolarHBondContact O-N 2.67Å; V388-R390 PolarHBondContact O-N 2.88Å; V388-R390 VanDerWaalsContact O-N 3.08Å; R390-P392 WeakPolarHBondContact O-CD 3.29Å
391Y93.8Very high92.8Very high2 Ų258.7 Ų58.71%0.00828%0.284CS..  trans-123.957.6-175.8-62.1-95.9000111.4R279 D282 L283 E286 V388 S389 E393 L394R279-Y391 HydrophobicContact CG-CD1 4.14Å; R279-Y391 HydrophobicContact CG-CE1 4.02Å; R279-Y391 VanDerWaalsContact NE-CE1 3.32Å; D282-Y391 HydrophobicContact CB-CE1 4.42Å; D282-Y391 WeakPolarHBondContact CB-OH 3.46Å; L283-Y391 HydrophobicContact CB-CD1 4.14Å; L283-Y391 HydrophobicContact CB-CD2 4.3Å; L283-Y391 HydrophobicContact CB-CE1 3.94Å; L283-Y391 HydrophobicContact CB-CE2 4.17Å; L283-Y391 HydrophobicContact CB-CG 4.31Å; L283-Y391 HydrophobicContact CD1-CD2 3.61Å; L283-Y391 HydrophobicContact CD1-CE2 3.92Å; L283-Y391 HydrophobicContact CD1-CG 4.09Å; L283-Y391 HydrophobicContact CG-CD2 4.5Å; E286-Y391 PolarHBondContact OE1-OH 3.39Å; V388-Y391 PolarHBondContact O-N 3.25Å; S389-Y391 VanDerWaalsContact C-N 3.27Å; S389-Y391 PolarHBondContact O-N 3.29Å; Y391-E393 WeakPolarHBondContact CA-OE2 3.28Å; Y391-E393 PolarHBondContact O-N 3.05Å; Y391-L394 HydrophobicContact CD1-CD1 4.36Å; Y391-L394 PolarHBondContact O-N 3.49Å
392P92.2Very high92.6Very high99 Ų9959.6 Ų59.664%0.64329%0.288SS*.G310 helixtrans-59.8-26.8-177.626.9-36.2000113.3R390 L394 N395R390-P392 WeakPolarHBondContact O-CD 3.29Å; P392-L394 VanDerWaalsContact C-N 3.26Å; P392-L394 PolarHBondContact O-N 3.29Å; P392-N395 PolarHBondContact O-N 3.5Å
393E91.2Very high92.5Very high71 Ų7154.5 Ų54.533%0.33227%0.266SS..G310 helixtrans-64.6-26179.368.4-80.5-168.700113.9Q269 R279 Y391Q269-E393 PolarHBondContact NE2-O 3.41Å; R279-E393 IonicContact NE-OE1 2.72Å; R279-E393 PolarHBondContact NE-OE1 3.5Å; Y391-E393 WeakPolarHBondContact CA-OE2 3.28Å; Y391-E393 PolarHBondContact O-N 3.05Å
394L91.6Very high92.3Very high6 Ų656 Ų563%0.03128%0.28CS..G310 helixtrans-91.8-12.6-180-69.3174.1000113I265 R267 Q269 L280 L283 Y391 P392 V396I265-L394 HydrophobicContact CG2-CB 4.32Å; I265-L394 HydrophobicContact CG2-CD2 4.2Å; R267-L394 PolarHBondContact N-O 2.89Å; R267-L394 VanDerWaalsContact N-O 3.13Å; Q269-L394 HydrophobicContact CG-CD2 3.86Å; L280-L394 HydrophobicContact CD1-CD1 4.5Å; L283-L394 HydrophobicContact CD2-CD1 3.78Å; Y391-L394 HydrophobicContact CD1-CD1 4.36Å; Y391-L394 PolarHBondContact O-N 3.49Å; P392-L394 VanDerWaalsContact C-N 3.26Å; P392-L394 PolarHBondContact O-N 3.29Å; L394-V396 HydrophobicContact CB-CG2 3.48Å; L394-V396 VanDerWaalsContact CB-CG2 3.48Å; L394-V396 HydrophobicContact CD1-CG2 4.38Å; L394-V396 PolarHBondContact O-N 3.11Å
395N93.8Very high92Very high69 Ų6959.6 Ų59.637%0.36930%0.296SS..THydrogen-bonded Turntrans43.359.8-172.9-172.627.8000112N266 R267 P392N266-N395 HydrophobicContact CB-CB 4.21Å; N266-N395 WeakPolarHBondContact CB-O 3.37Å; N266-N395 PolarHBondContact N-O 2.99Å; N266-N395 PolarHBondContact ND2-O 3.03Å; R267-N395 HydrophobicContact CB-CB 4.3Å; R267-N395 HydrophobicContact CG-CB 4.14Å; P392-N395 PolarHBondContact O-N 3.5Å
396V94.7Very high91.8Very high11 Ų1155.3 Ų55.37%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-80.4137.2-173.3-170.50000110.3V263 V264 I265 L283 V388 L394V263-V396 HydrophobicContact CG1-CG1 3.4Å; V263-V396 VanDerWaalsContact CG1-CG1 3.4Å; V264-V396 CarbonylContact O-C 3.56Å; V264-V396 WeakPolarHBondContact O-CA 3.26Å; I265-V396 HydrophobicContact CG1-CG1 4.45Å; I265-V396 HydrophobicContact CG1-CG2 4.26Å; L283-V396 HydrophobicContact CD2-CG1 4.5Å; L283-V396 HydrophobicContact CD2-CG2 3.8Å; V388-V396 HydrophobicContact CB-CB 4.43Å; V388-V396 HydrophobicContact CG1-CB 3.72Å; V388-V396 HydrophobicContact CG1-CG1 4.26Å; V388-V396 WeakPolarHBondContact CG1-O 3.22Å; V388-V396 HydrophobicContact CG2-CB 4.06Å; V388-V396 HydrophobicContact CG2-CG1 3.74Å; L394-V396 HydrophobicContact CB-CG2 3.48Å; L394-V396 VanDerWaalsContact CB-CG2 3.48Å; L394-V396 HydrophobicContact CD1-CG2 4.38Å; L394-V396 PolarHBondContact O-N 3.11Å
397T94.3Very high91.6Very high60 Ų6051.7 Ų51.737%0.36827%0.267SS..EExtended strand (participates in β ladder)trans-127.3129.7175.148.20000109.9V264 N266V264-T397 WeakPolarHBondContact CB-OG1 3.25Å; V264-T397 PolarHBondContact N-O 3.44Å; V264-T397 PolarHBondContact O-N 3.33Å; N266-T397 WeakPolarHBondContact ND2-CG2 3.44Å; N266-T397 PolarHBondContact ND2-OG1 3.03Å
398T93.6Very high91.3Very high20 Ų2054.1 Ų54.112%0.12328%0.278CS..EExtended strand (participates in β ladder)trans-97.9139.7174.761.10000110.6H262 V263 L384 V388 W403H262-T398 CarbonylContact O-C 3.59Å; H262-T398 WeakPolarHBondContact O-CA 3.32Å; V263-T398 HydrophobicContact CG2-CG2 4.32Å; L384-T398 HydrophobicContact CB-CG2 4.49Å; V388-T398 HydrophobicContact CG2-CG2 3.92Å; T398-W403 VanDerWaalsContact O-CD1 3.27Å; T398-W403 PolarHBondContact O-NE1 2.88Å; T398-W403 PolarHBondContact OG1-NE1 2.97Å; T398-W403 VanDerWaalsContact OG1-NE1 3.13Å
399Y93.4Very high91Very high134 Ų13453.9 Ų53.953%0.52528%0.275SS..EExtended strand (participates in β ladder)trans-137.2134.7-178.6178-98.4000111.1H262H262-Y399 PolarHBondContact N-O 3.4Å; H262-Y399 PolarHBondContact O-N 3.32Å
400H92.1Very high90.7Very high7 Ų752.4 Ų52.43%0.03226%0.26CS..  trans-146.1149.4170.6-170.9-84.8000107.4M259 Q260 A261 F402 W403M259-H400 WeakPolarHBondContact CE-CE1 3.37Å; Q260-H400 PolarHBondContact O-CD2 3.46Å; A261-H400 HydrophobicContact CB-CB 4.5Å; H400-F402 AromaticContact CE1-CD2 3.4Å; H400-F402 WeakPolarHBondContact CE1-CD2 3.46Å; H400-F402 AromaticContact ND1-CD2 3.66Å; H400-F402 PolarHBondContact ND1-N 3.25Å; H400-F402 VanDerWaalsContact ND1-N 3.18Å; H400-F402 PolarHBondContact O-N 3.09Å; H400-F402 VanDerWaalsContact O-N 3.08Å; H400-W403 HydrophobicContact CB-CD2 4.01Å; H400-W403 HydrophobicContact CB-CE3 3.74Å; H400-W403 HydrophobicContact CB-CZ3 4.01Å; H400-W403 WeakPolarHBondContact O-CB 3.45Å; H400-W403 PolarHBondContact O-N 3.34Å
401E89.3Confident90.4Very high120 Ų12047.8 Ų47.856%0.56125%0.248SC*.THydrogen-bonded Turntrans-54.2-31.8179.856.8175.4-17000113.4M259 P404M259-E401 WeakPolarHBondContact CE-OE1 3.47Å; E401-P404 WeakPolarHBondContact O-CD 3.36Å
402F87.2Confident90.2Very high18 Ų1847.8 Ų47.88%0.07925%0.249CC..THydrogen-bonded Turntrans-81.6-11.2177.9-70.8-61.2000115.2M259 F371 H400 P404 H405 V406M259-F402 HydrophobicContact CE-CD2 4.11Å; M259-F402 HydrophobicContact CE-CE2 3.7Å; M259-F402 HydrophobicContact SD-CD2 4.09Å; M259-F402 HydrophobicContact SD-CE2 3.86Å; F371-F402 HydrophobicContact CD1-CD2 4.28Å; F371-F402 HydrophobicContact CE1-CB 3.85Å; F371-F402 AromaticContact CE1-CD2 3.71Å; F371-F402 HydrophobicContact CE1-CD2 3.71Å; F371-F402 HydrophobicContact CE1-CG 4.11Å; F371-F402 HydrophobicContact CZ-CB 4.23Å; H400-F402 AromaticContact CE1-CD2 3.4Å; H400-F402 WeakPolarHBondContact CE1-CD2 3.46Å; H400-F402 AromaticContact ND1-CD2 3.66Å; H400-F402 PolarHBondContact ND1-N 3.25Å; H400-F402 VanDerWaalsContact ND1-N 3.18Å; H400-F402 PolarHBondContact O-N 3.09Å; H400-F402 VanDerWaalsContact O-N 3.08Å; F402-P404 VanDerWaalsContact C-CD 3.49Å; F402-H405 WeakPolarHBondContact O-CA 3.31Å; F402-H405 WeakPolarHBondContact O-CB 3.28Å; F402-H405 PolarHBondContact O-N 3.21Å; F402-V406 HydrophobicContact CB-CG2 4.5Å; F402-V406 WeakPolarHBondContact O-CG2 3.24Å; F402-V406 PolarHBondContact O-N 3.05Å
403W89.9Confident89.9Confident10 Ų1043.4 Ų43.44%0.03822%0.221CC..Hα-helixtrans-52.1-43.8-176.7-99.5-158.5000114.2L368 F371 V380 V381 L384 T398 H400 H405 V406 D407L368-W403 HydrophobicContact CD1-CH2 4.4Å; F371-W403 HydrophobicContact CE2-CH2 4.32Å; F371-W403 AromaticContact CE2-CZ3 3.67Å; F371-W403 HydrophobicContact CE2-CZ3 3.67Å; F371-W403 HydrophobicContact CZ-CE3 4.26Å; F371-W403 AromaticContact CZ-CZ3 3.59Å; F371-W403 HydrophobicContact CZ-CZ3 3.59Å; V380-W403 HydrophobicContact CG1-CH2 4.44Å; V381-W403 HydrophobicContact CB-CH2 4.19Å; V381-W403 HydrophobicContact CB-CZ2 4.25Å; V381-W403 HydrophobicContact CB-CZ3 4.47Å; V381-W403 HydrophobicContact CG1-CZ2 4.47Å; V381-W403 HydrophobicContact CG2-CD2 3.71Å; V381-W403 HydrophobicContact CG2-CE3 3.37Å; V381-W403 HydrophobicContact CG2-CH2 3.19Å; V381-W403 HydrophobicContact CG2-CZ2 3.5Å; V381-W403 VanDerWaalsContact CG2-CZ2 3.5Å; V381-W403 HydrophobicContact CG2-CZ3 3.12Å; L384-W403 HydrophobicContact CD1-CH2 3.89Å; L384-W403 HydrophobicContact CD1-CZ2 3.83Å; T398-W403 VanDerWaalsContact O-CD1 3.27Å; T398-W403 PolarHBondContact O-NE1 2.88Å; T398-W403 PolarHBondContact OG1-NE1 2.97Å; T398-W403 VanDerWaalsContact OG1-NE1 3.13Å; H400-W403 HydrophobicContact CB-CD2 4.01Å; H400-W403 HydrophobicContact CB-CE3 3.74Å; H400-W403 HydrophobicContact CB-CZ3 4.01Å; H400-W403 WeakPolarHBondContact O-CB 3.45Å; H400-W403 PolarHBondContact O-N 3.34Å; W403-H405 VanDerWaalsContact C-N 3.25Å; W403-H405 PolarHBondContact O-N 2.99Å; W403-V406 HydrophobicContact CE3-CG2 4.27Å; W403-V406 PolarHBondContact O-N 2.87Å; W403-V406 VanDerWaalsContact O-N 3.12Å; W403-D407 WeakPolarHBondContact O-CB 3.42Å; W403-D407 PolarHBondContact O-N 3.4Å
404P88.6Confident89.8Confident82 Ų8243.9 Ų43.953%0.53223%0.23SC..Hα-helixtrans-57.4-37.6176-26.435.9000113.4E401 F402 Q408E401-P404 WeakPolarHBondContact O-CD 3.36Å; F402-P404 VanDerWaalsContact C-CD 3.49Å; P404-Q408 PolarHBondContact O-N 2.85Å; P404-Q408 VanDerWaalsContact O-N 3.16Å
405H85.4Confident89.7Confident74 Ų7443.9 Ų43.934%0.34323%0.23SC..Hα-helixtrans-71.5-39.9176.1-62.7-64.9000112F402 W403 D407 Q408 Y409F402-H405 WeakPolarHBondContact O-CA 3.31Å; F402-H405 WeakPolarHBondContact O-CB 3.28Å; F402-H405 PolarHBondContact O-N 3.21Å; W403-H405 VanDerWaalsContact C-N 3.25Å; W403-H405 PolarHBondContact O-N 2.99Å; H405-D407 VanDerWaalsContact C-N 3.34Å; H405-Q408 WeakPolarHBondContact O-CB 3.13Å; H405-Q408 PolarHBondContact O-N 3.35Å; H405-Y409 HydrophobicContact CB-CE2 4.28Å; H405-Y409 WeakPolarHBondContact O-CD1 3.47Å; H405-Y409 WeakPolarHBondContact O-CD2 3.36Å; H405-Y409 VanDerWaalsContact O-CG 3.24Å; H405-Y409 PolarHBondContact O-N 3.14Å
406V89.1Confident89.4Confident0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-67.9-36.5177.4-170.80000111.6F371 Q377 V378 V381 F402 W403 Q408 Y409 M410F371-V406 HydrophobicContact CZ-CG2 4.18Å; Q377-V406 HydrophobicContact CB-CG1 4.28Å; Q377-V406 HydrophobicContact CB-CG2 3.69Å; V378-V406 HydrophobicContact CB-CG1 4.29Å; V378-V406 HydrophobicContact CG2-CG1 3.71Å; V381-V406 HydrophobicContact CB-CG1 4.04Å; V381-V406 HydrophobicContact CG2-CB 3.93Å; V381-V406 HydrophobicContact CG2-CG1 3.49Å; V381-V406 VanDerWaalsContact CG2-CG1 3.49Å; V381-V406 HydrophobicContact CG2-CG2 4.25Å; F402-V406 HydrophobicContact CB-CG2 4.5Å; F402-V406 WeakPolarHBondContact O-CG2 3.24Å; F402-V406 PolarHBondContact O-N 3.05Å; W403-V406 HydrophobicContact CE3-CG2 4.27Å; W403-V406 PolarHBondContact O-N 2.87Å; W403-V406 VanDerWaalsContact O-N 3.12Å; V406-Q408 VanDerWaalsContact C-N 3.3Å; V406-Q408 PolarHBondContact O-N 3.07Å; V406-Y409 PolarHBondContact O-N 3.3Å; V406-Y409 VanDerWaalsContact O-N 3.12Å; V406-M410 HydrophobicContact CG1-CG 4.47Å; V406-M410 WeakPolarHBondContact O-CG 3.12Å; V406-M410 PolarHBondContact O-N 3.2Å
407D89.5Confident89.1Confident59 Ų5946.4 Ų46.432%0.31623%0.233SC..Hα-helixtrans-63.9-37174.4-75.6-21000112.1R385 W403 H405 S411R385-D407 IonicContact CZ-OD1 3.95Å; R385-D407 IonicContact CZ-OD2 3.74Å; R385-D407 IonicContact NH1-OD1 3.85Å; R385-D407 PolarHBondContact NH1-OD1 3.49Å; R385-D407 IonicContact NH2-OD1 3.76Å; R385-D407 PolarHBondContact NH2-OD1 3.39Å; R385-D407 IonicContact NH2-OD2 2.96Å; R385-D407 PolarHBondContact NH2-OD2 3.05Å; W403-D407 WeakPolarHBondContact O-CB 3.42Å; W403-D407 PolarHBondContact O-N 3.4Å; H405-D407 VanDerWaalsContact C-N 3.34Å; D407-S411 PolarHBondContact O-N 3.24Å; D407-S411 PolarHBondContact O-OG 3.03Å
408Q87.6Confident88.9Confident57 Ų5749 Ų4927%0.26624%0.236SC..Hα-helixtrans-60.9-50.1167.9171.6172.714.200110.9F51 P404 H405 V406 M410 S411 V412 C468F51-Q408 HydrophobicContact CE1-CB 4.4Å; F51-Q408 HydrophobicContact CE1-CG 3.78Å; F51-Q408 HydrophobicContact CZ-CG 4.29Å; P404-Q408 PolarHBondContact O-N 2.85Å; P404-Q408 VanDerWaalsContact O-N 3.16Å; H405-Q408 WeakPolarHBondContact O-CB 3.13Å; H405-Q408 PolarHBondContact O-N 3.35Å; V406-Q408 VanDerWaalsContact C-N 3.3Å; V406-Q408 PolarHBondContact O-N 3.07Å; Q408-M410 VanDerWaalsContact C-N 3.32Å; Q408-M410 PolarHBondContact O-N 2.81Å; Q408-S411 WeakPolarHBondContact CA-OG 3.44Å; Q408-S411 PolarHBondContact O-N 3.18Å; Q408-S411 PolarHBondContact O-OG 3.4Å; Q408-V412 HydrophobicContact CG-CG2 4.21Å; Q408-V412 VanDerWaalsContact O-CG2 3.29Å; Q408-V412 WeakPolarHBondContact O-CG2 3.35Å; Q408-V412 PolarHBondContact O-N 3.31Å; Q408-C468 PolarHBondContact NE2-SG 3.12Å
409Y86.9Confident88.6Confident13 Ų1348.3 Ų48.35%0.05123%0.232CC..Hα-helixtrans-60.2-40.8179.4-52.4-30.7000112.6L232 A374 H405 V406 S411 V412L232-Y409 HydrophobicContact CB-CE1 4.37Å; L232-Y409 PolarHBondContact O-OH 3.39Å; A374-Y409 HydrophobicContact CB-CD2 3.61Å; A374-Y409 HydrophobicContact CB-CE2 3.79Å; A374-Y409 HydrophobicContact CB-CG 4.16Å; H405-Y409 HydrophobicContact CB-CE2 4.28Å; H405-Y409 WeakPolarHBondContact O-CD1 3.47Å; H405-Y409 WeakPolarHBondContact O-CD2 3.36Å; H405-Y409 VanDerWaalsContact O-CG 3.24Å; H405-Y409 PolarHBondContact O-N 3.14Å; V406-Y409 PolarHBondContact O-N 3.3Å; V406-Y409 VanDerWaalsContact O-N 3.12Å; Y409-S411 PolarHBondContact O-N 2.92Å; Y409-V412 PolarHBondContact O-N 3.2Å
410M87.1Confident88.4Confident53 Ų5342.3 Ų42.326%0.26121%0.209SC..Hα-helixtrans-61.9-27.1176.5-73.5-175.759.800113.4V378 V381 K382 V406 Q408 P414V378-M410 HydrophobicContact CB-CG 4.35Å; V378-M410 HydrophobicContact CG1-CG 3.77Å; V378-M410 HydrophobicContact CG2-CG 3.9Å; V381-M410 HydrophobicContact CB-SD 4.4Å; V381-M410 HydrophobicContact CG1-SD 3.83Å; K382-M410 HydrophobicContact CD-CE 4.43Å; K382-M410 HydrophobicContact CG-CE 3.74Å; K382-M410 HydrophobicContact CG-SD 4.22Å; V406-M410 HydrophobicContact CG1-CG 4.47Å; V406-M410 WeakPolarHBondContact O-CG 3.12Å; V406-M410 PolarHBondContact O-N 3.2Å; Q408-M410 VanDerWaalsContact C-N 3.32Å; Q408-M410 PolarHBondContact O-N 2.81Å; M410-P414 WeakPolarHBondContact O-CD 3.38Å
411S88Confident88.3Confident38 Ų3845 Ų4527%0.26623%0.229SC..Hα-helixtrans-96.9-21.1-178.553.60000113.8F51 D407 Q408 Y409 T415F51-S411 WeakPolarHBondContact CZ-OG 3.28Å; D407-S411 PolarHBondContact O-N 3.24Å; D407-S411 PolarHBondContact O-OG 3.03Å; Q408-S411 WeakPolarHBondContact CA-OG 3.44Å; Q408-S411 PolarHBondContact O-N 3.18Å; Q408-S411 PolarHBondContact O-OG 3.4Å; Y409-S411 PolarHBondContact O-N 2.92Å; S411-T415 WeakPolarHBondContact O-CB 3.36Å; S411-T415 PolarHBondContact O-N 3.18Å; S411-T415 VanDerWaalsContact O-N 3.09Å; S411-T415 PolarHBondContact O-OG1 3.46Å
412V88.1Confident88.3Confident3 Ų342.6 Ų42.62%0.01822%0.222CC..Hα-helixtrans-58.2-61.3-178.8166.30000111.8F51 Q408 Y409 T415 T416 L466F51-V412 HydrophobicContact CE2-CG2 4.11Å; F51-V412 HydrophobicContact CZ-CG2 3.7Å; Q408-V412 HydrophobicContact CG-CG2 4.21Å; Q408-V412 VanDerWaalsContact O-CG2 3.29Å; Q408-V412 WeakPolarHBondContact O-CG2 3.35Å; Q408-V412 PolarHBondContact O-N 3.31Å; Y409-V412 PolarHBondContact O-N 3.2Å; V412-T415 PolarHBondContact O-N 3.44Å; V412-T416 WeakPolarHBondContact O-CB 3.42Å; V412-T416 PolarHBondContact O-N 2.88Å; V412-T416 PolarHBondContact O-OG1 2.83Å; V412-L466 HydrophobicContact CG1-CD2 4.47Å; V412-L466 HydrophobicContact CG1-CG 4.12Å
413A87Confident88.3Confident7 Ų741.8 Ų41.86%0.05822%0.219CC..Hα-helixtrans-62.3-47.3-173.100000113.6E230 T415 T416 W417 L466E230-A413 HydrophobicContact CG-CB 4.41Å; A413-T415 VanDerWaalsContact C-N 3.32Å; A413-T415 PolarHBondContact O-N 3.4Å; A413-T416 PolarHBondContact O-N 3.38Å; A413-W417 VanDerWaalsContact O-CD1 3.23Å; A413-W417 PolarHBondContact O-N 3.27Å; A413-L466 HydrophobicContact CB-CD2 4.01Å
414P88.8Confident88.2Confident80 Ų8042.7 Ų42.752%0.51922%0.223SC..Hα-helixtrans-61.9-38.3176-23.334.4000113.2M410 R418M410-P414 WeakPolarHBondContact O-CD 3.38Å; P414-R418 WeakPolarHBondContact O-CB 3.38Å; P414-R418 PolarHBondContact O-N 3.14Å
415T88.6Confident88.2Confident7 Ų742.8 Ų42.84%0.04322%0.222CC..Hα-helixtrans-68.6-41.8178.6-58.40000111F51 S411 V412 A413 R418 N419 M471F51-T415 HydrophobicContact CD2-CG2 4.3Å; F51-T415 HydrophobicContact CE2-CG2 4.25Å; S411-T415 WeakPolarHBondContact O-CB 3.36Å; S411-T415 PolarHBondContact O-N 3.18Å; S411-T415 VanDerWaalsContact O-N 3.09Å; S411-T415 PolarHBondContact O-OG1 3.46Å; V412-T415 PolarHBondContact O-N 3.44Å; A413-T415 VanDerWaalsContact C-N 3.32Å; A413-T415 PolarHBondContact O-N 3.4Å; T415-R418 PolarHBondContact O-N 3.36Å; T415-N419 WeakPolarHBondContact O-CB 3.4Å; T415-N419 PolarHBondContact O-N 3.47Å; T415-N419 PolarHBondContact O-OD1 2.91Å; T415-M471 HydrophobicContact CG2-SD 4.16Å
416T88.8Confident88.3Confident0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-57.5-52.4174.6-61.10000110.8V412 A413 R418 N419 L420 L466 M471 L474V412-T416 WeakPolarHBondContact O-CB 3.42Å; V412-T416 PolarHBondContact O-N 2.88Å; V412-T416 PolarHBondContact O-OG1 2.83Å; A413-T416 PolarHBondContact O-N 3.38Å; T416-R418 VanDerWaalsContact C-N 3.34Å; T416-R418 PolarHBondContact O-N 3.47Å; T416-N419 PolarHBondContact O-N 2.96Å; T416-L420 HydrophobicContact CG2-CD1 3.67Å; T416-L420 HydrophobicContact CG2-CG 4.17Å; T416-L420 WeakPolarHBondContact O-CB 3.32Å; T416-L420 VanDerWaalsContact O-CG 3.27Å; T416-L420 WeakPolarHBondContact O-CG 3.29Å; T416-L420 PolarHBondContact O-N 2.86Å; T416-L466 HydrophobicContact CG2-CD1 4.27Å; T416-M471 HydrophobicContact CG2-CG 4.16Å; T416-M471 VanDerWaalsContact OG1-CG 3.28Å; T416-M471 WeakPolarHBondContact OG1-CG 3.4Å; T416-M471 PolarHBondContact OG1-SD 3.08Å; T416-L474 HydrophobicContact CG2-CD1 4Å
417W88.5Confident88.1Confident133 Ų13340.3 Ų40.350%0.50421%0.212SC..Hα-helixtrans-62.3-40.6-179.7-77.9117.4000112.9A413 S421 Y456A413-W417 VanDerWaalsContact O-CD1 3.23Å; A413-W417 PolarHBondContact O-N 3.27Å; W417-S421 VanDerWaalsContact O-CB 3.26Å; W417-S421 WeakPolarHBondContact O-CB 3.46Å; W417-S421 PolarHBondContact O-N 2.93Å; W417-S421 PolarHBondContact O-OG 3.35Å; W417-Y456 HydrophobicContact CZ2-CE1 4.18Å; W417-Y456 HydrophobicContact CZ2-CE2 4.28Å; W417-Y456 AromaticContact CZ2-CZ 3.89Å
418R89.8Confident87.8Confident114 Ų11440.5 Ų40.543%0.4321%0.213SC..Hα-helixtrans-60.1-52.8174-176.9-174.569.7-168.92.7111W48 S50 P414 T415 T416 L420 S421 V422W48-R418 PolarHBondContact O-NH2 2.93Å; S50-R418 PolarHBondContact OG-NH2 2.86Å; P414-R418 WeakPolarHBondContact O-CB 3.38Å; P414-R418 PolarHBondContact O-N 3.14Å; T415-R418 PolarHBondContact O-N 3.36Å; T416-R418 VanDerWaalsContact C-N 3.34Å; T416-R418 PolarHBondContact O-N 3.47Å; R418-L420 PolarHBondContact O-N 3.17Å; R418-S421 PolarHBondContact O-N 2.94Å; R418-V422 WeakPolarHBondContact O-CG2 3.48Å; R418-V422 PolarHBondContact O-N 2.83Å
419N87.5Confident87.7Confident5 Ų542.1 Ų42.13%0.02722%0.222CC..Hα-helixtrans-65.8-41.5-175.4-67.2-0.4000111.7S49 T415 T416 S423 I475S49-N419 WeakPolarHBondContact CB-ND2 3.35Å; S49-N419 PolarHBondContact OG-ND2 3.36Å; T415-N419 WeakPolarHBondContact O-CB 3.4Å; T415-N419 PolarHBondContact O-N 3.47Å; T415-N419 PolarHBondContact O-OD1 2.91Å; T416-N419 PolarHBondContact O-N 2.96Å; N419-S423 VanDerWaalsContact O-CB 3.26Å; N419-S423 WeakPolarHBondContact O-CB 3.5Å; N419-S423 PolarHBondContact O-N 3.28Å; N419-I475 HydrophobicContact CB-CD1 4.16Å
420L89Confident87.6Confident9 Ų942.4 Ų42.45%0.04722%0.224CC..Hα-helixtrans-62-45.8174.5-70176.7000110.9T416 R418 V422 S423 F424 L474 I475 I478T416-L420 HydrophobicContact CG2-CD1 3.67Å; T416-L420 HydrophobicContact CG2-CG 4.17Å; T416-L420 WeakPolarHBondContact O-CB 3.32Å; T416-L420 VanDerWaalsContact O-CG 3.27Å; T416-L420 WeakPolarHBondContact O-CG 3.29Å; T416-L420 PolarHBondContact O-N 2.86Å; R418-L420 PolarHBondContact O-N 3.17Å; L420-V422 PolarHBondContact O-N 2.8Å; L420-S423 PolarHBondContact O-N 3Å; L420-F424 WeakPolarHBondContact O-CB 3.24Å; L420-F424 WeakPolarHBondContact O-CD2 3.31Å; L420-F424 PolarHBondContact O-N 3.31Å; L420-L474 HydrophobicContact CD1-CB 4.41Å; L420-L474 HydrophobicContact CD1-CD1 4.4Å; L420-L474 HydrophobicContact CD2-CB 3.98Å; L420-I475 HydrophobicContact CD2-CG1 4.3Å; L420-I478 HydrophobicContact CD2-CD1 3.72Å; L420-I478 HydrophobicContact CD2-CG1 4.49Å
421S90Very high87.1Confident64 Ų6440.1 Ų40.145%0.44821%0.214SC..Hα-helixtrans-61.5-46.3179.8-59.60000112W417 R418 F424 V425W417-S421 VanDerWaalsContact O-CB 3.26Å; W417-S421 WeakPolarHBondContact O-CB 3.46Å; W417-S421 PolarHBondContact O-N 2.93Å; W417-S421 PolarHBondContact O-OG 3.35Å; R418-S421 PolarHBondContact O-N 2.94Å; S421-F424 PolarHBondContact O-N 3.06Å; S421-V425 VanDerWaalsContact O-CG2 3.31Å; S421-V425 WeakPolarHBondContact O-CG2 3.42Å; S421-V425 PolarHBondContact O-N 3.4Å
422V89.8Confident86.8Confident69 Ų6941.7 Ų41.742%0.41822%0.219SC..Hα-helixtrans-65.3-42.7178-1790000110.8V45 R418 L420 V425 S426V45-V422 HydrophobicContact CG1-CB 4.02Å; V45-V422 HydrophobicContact CG1-CG1 3.53Å; R418-V422 WeakPolarHBondContact O-CG2 3.48Å; R418-V422 PolarHBondContact O-N 2.83Å; L420-V422 PolarHBondContact O-N 2.8Å; V422-V425 PolarHBondContact O-N 3.45Å; V422-S426 WeakPolarHBondContact O-CB 3.29Å; V422-S426 PolarHBondContact O-N 2.63Å; V422-S426 PolarHBondContact O-OG 3.39Å
423S86.9Confident86.4Confident1 Ų147.1 Ų47.11%0.00725%0.247CC..Hα-helixtrans-60.8-46.8176178.50000111.2S42 N419 L420 V425 S426 M427 I478S42-S423 PolarHBondContact OG-OG 3.12Å; N419-S423 VanDerWaalsContact O-CB 3.26Å; N419-S423 WeakPolarHBondContact O-CB 3.5Å; N419-S423 PolarHBondContact O-N 3.28Å; L420-S423 PolarHBondContact O-N 3Å; S423-V425 PolarHBondContact O-N 3.02Å; S423-S426 PolarHBondContact O-N 3.28Å; S423-S426 PolarHBondContact O-OG 3.25Å; S423-M427 WeakPolarHBondContact O-CG 3.41Å; S423-M427 PolarHBondContact O-N 3.27Å; S423-I478 VanDerWaalsContact OG-CD1 3.32Å; S423-I478 WeakPolarHBondContact OG-CD1 3.4Å
424F87.1Confident85.9Confident29 Ų2948.7 Ų48.713%0.12725%0.253CS..Hα-helixtrans-57.3-48.6175.2-92.5-65.4000113.2L420 S421 S426 M427 I428 M448 L449 N452 I478L420-F424 WeakPolarHBondContact O-CB 3.24Å; L420-F424 WeakPolarHBondContact O-CD2 3.31Å; L420-F424 PolarHBondContact O-N 3.31Å; S421-F424 PolarHBondContact O-N 3.06Å; F424-S426 VanDerWaalsContact C-N 3.31Å; F424-S426 PolarHBondContact O-N 2.89Å; F424-M427 PolarHBondContact O-N 2.86Å; F424-I428 VanDerWaalsContact O-CG1 3.28Å; F424-I428 WeakPolarHBondContact O-CG1 3.48Å; F424-I428 PolarHBondContact O-N 2.99Å; F424-M448 HydrophobicContact CE1-CB 3.9Å; F424-L449 HydrophobicContact CE1-CB 4.19Å; F424-L449 HydrophobicContact CE1-CD1 4.44Å; F424-L449 HydrophobicContact CE2-CD1 4.35Å; F424-L449 HydrophobicContact CZ-CB 4.44Å; F424-L449 HydrophobicContact CZ-CD1 4.11Å; F424-N452 HydrophobicContact CE2-CB 3.98Å; F424-N452 HydrophobicContact CZ-CB 3.6Å; F424-N452 VanDerWaalsContact CZ-ND2 3.32Å; F424-N452 WeakPolarHBondContact CZ-ND2 3.16Å; F424-I478 HydrophobicContact CD2-CD1 3.98Å; F424-I478 HydrophobicContact CE2-CD1 3.93Å; F424-I478 HydrophobicContact CE2-CG1 4.27Å; F424-I478 HydrophobicContact CG-CD1 4.44Å; F424-I478 HydrophobicContact CZ-CD1 4.38Å; F424-I478 HydrophobicContact CZ-CG1 4.27Å
425V88.6Confident85.2Confident83 Ų8345.6 Ų45.650%0.50323%0.232SC..Hα-helixtrans-61.2-42.9178.3171.50000110.6S421 V422 S423 M427 I428 I429S421-V425 VanDerWaalsContact O-CG2 3.31Å; S421-V425 WeakPolarHBondContact O-CG2 3.42Å; S421-V425 PolarHBondContact O-N 3.4Å; V422-V425 PolarHBondContact O-N 3.45Å; S423-V425 PolarHBondContact O-N 3.02Å; V425-M427 PolarHBondContact O-N 2.9Å; V425-I428 PolarHBondContact O-N 3.1Å; V425-I429 HydrophobicContact CG1-CD1 3.95Å; V425-I429 VanDerWaalsContact O-CG1 3.32Å; V425-I429 WeakPolarHBondContact O-CG1 3.48Å; V425-I429 PolarHBondContact O-N 3.37Å
426S87.3Confident84.2Confident19 Ų1946.7 Ų46.713%0.13324%0.239CC..Hα-helixtrans-62.2-42.3177.275.80000112.3V422 S423 F424 I429 I430V422-S426 WeakPolarHBondContact O-CB 3.29Å; V422-S426 PolarHBondContact O-N 2.63Å; V422-S426 PolarHBondContact O-OG 3.39Å; S423-S426 PolarHBondContact O-N 3.28Å; S423-S426 PolarHBondContact O-OG 3.25Å; F424-S426 VanDerWaalsContact C-N 3.31Å; F424-S426 PolarHBondContact O-N 2.89Å; S426-I429 PolarHBondContact O-N 2.92Å; S426-I430 VanDerWaalsContact O-CG1 3.28Å; S426-I430 WeakPolarHBondContact O-CG1 3.22Å; S426-I430 PolarHBondContact O-N 3.02Å
427M85Confident83.5Confident3 Ų347.9 Ų47.92%0.01525%0.246CC..Hα-helixtrans-68.7-36.3178.4-68.9-53.8109.200112.3T38 V41 S423 F424 V425 I430 A431 I478 V482T38-M427 HydrophobicContact CG2-SD 4.18Å; T38-M427 VanDerWaalsContact O-CE 3.28Å; T38-M427 WeakPolarHBondContact O-CE 3.34Å; V41-M427 HydrophobicContact CB-CE 4.37Å; V41-M427 HydrophobicContact CG1-CE 4.35Å; S423-M427 WeakPolarHBondContact O-CG 3.41Å; S423-M427 PolarHBondContact O-N 3.27Å; F424-M427 PolarHBondContact O-N 2.86Å; V425-M427 PolarHBondContact O-N 2.9Å; M427-I430 HydrophobicContact CE-CD1 3.67Å; M427-I430 PolarHBondContact O-N 3.4Å; M427-I430 HydrophobicContact SD-CD1 4.42Å; M427-A431 WeakPolarHBondContact O-CB 3.3Å; M427-A431 PolarHBondContact O-N 2.89Å; M427-I478 HydrophobicContact CG-CG2 3.64Å; M427-V482 HydrophobicContact CG-CG2 4.31Å; M427-V482 HydrophobicContact SD-CG2 4.14Å
428I84.2Confident83.1Confident64 Ų6446.4 Ų46.433%0.32825%0.247SC..Hα-helixtrans-59.3-50.4171.9-68.1161.1000109.4F424 V425 I430 A431 L432 T445F424-I428 VanDerWaalsContact O-CG1 3.28Å; F424-I428 WeakPolarHBondContact O-CG1 3.48Å; F424-I428 PolarHBondContact O-N 2.99Å; V425-I428 PolarHBondContact O-N 3.1Å; I428-I430 VanDerWaalsContact C-N 3.35Å; I428-I430 PolarHBondContact O-N 3.39Å; I428-A431 PolarHBondContact O-N 3.33Å; I428-L432 HydrophobicContact CG2-CD1 3.99Å; I428-L432 HydrophobicContact CG2-CG 4.28Å; I428-L432 WeakPolarHBondContact O-CB 3.24Å; I428-L432 WeakPolarHBondContact O-CG 3.21Å; I428-L432 PolarHBondContact O-N 3.26Å; I428-T445 HydrophobicContact CB-CG2 4.13Å; I428-T445 HydrophobicContact CG1-CG2 3.47Å; I428-T445 VanDerWaalsContact CG1-CG2 3.47Å; I428-T445 HydrophobicContact CG2-CG2 4.47Å
429I85.7Confident82.8Confident91 Ų9146.7 Ų46.747%0.46725%0.249SC..Hα-helixtrans-58.5-47.7-179.8-67.2165.2000110.8V425 S426 L432 I433V425-I429 HydrophobicContact CG1-CD1 3.95Å; V425-I429 VanDerWaalsContact O-CG1 3.32Å; V425-I429 WeakPolarHBondContact O-CG1 3.48Å; V425-I429 PolarHBondContact O-N 3.37Å; S426-I429 PolarHBondContact O-N 2.92Å; I429-L432 PolarHBondContact O-N 3.16Å; I429-I433 HydrophobicContact CG2-CD1 3.72Å; I429-I433 VanDerWaalsContact O-CG1 3.3Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 3.45Å
430I83.4Confident82.5Confident18 Ų1846.4 Ų46.49%0.09225%0.248CC..Hα-helixtrans-65.7-45-179.7-60.6162.8000110.7F37 T38 V41 S426 M427 I428 L432 I433 M434F37-I430 HydrophobicContact CD1-CG2 4.19Å; F37-I430 HydrophobicContact CE1-CG2 4.37Å; T38-I430 HydrophobicContact CG2-CB 4.06Å; T38-I430 HydrophobicContact CG2-CD1 4.4Å; T38-I430 HydrophobicContact CG2-CG2 3.35Å; V41-I430 HydrophobicContact CB-CD1 3.76Å; V41-I430 HydrophobicContact CG1-CD1 3.66Å; V41-I430 HydrophobicContact CG2-CD1 4.14Å; S426-I430 VanDerWaalsContact O-CG1 3.28Å; S426-I430 WeakPolarHBondContact O-CG1 3.22Å; S426-I430 PolarHBondContact O-N 3.02Å; M427-I430 HydrophobicContact CE-CD1 3.67Å; M427-I430 PolarHBondContact O-N 3.4Å; M427-I430 HydrophobicContact SD-CD1 4.42Å; I428-I430 VanDerWaalsContact C-N 3.35Å; I428-I430 PolarHBondContact O-N 3.39Å; I430-L432 VanDerWaalsContact C-N 3.27Å; I430-L432 PolarHBondContact O-N 2.86Å; I430-I433 PolarHBondContact O-N 2.85Å; I430-M434 HydrophobicContact CG2-CE 3.94Å; I430-M434 HydrophobicContact CG2-SD 4.05Å; I430-M434 WeakPolarHBondContact O-CB 3.39Å; I430-M434 PolarHBondContact O-N 3.32Å
431A78Confident82.2Confident5 Ų546 Ų464%0.04125%0.246CC..Hα-helixtrans-58.6-38.9177.100000111.8M427 I428 I435 T445M427-A431 WeakPolarHBondContact O-CB 3.3Å; M427-A431 PolarHBondContact O-N 2.89Å; I428-A431 PolarHBondContact O-N 3.33Å; A431-I435 WeakPolarHBondContact O-CA 3.27Å; A431-I435 WeakPolarHBondContact O-CB 3.48Å; A431-I435 WeakPolarHBondContact O-CG1 3.29Å; A431-I435 PolarHBondContact O-N 3.45Å; A431-T445 HydrophobicContact CB-CG2 4.45Å
432L79.8Confident82Confident72 Ų7246.7 Ų46.738%0.37724%0.244SC..Hα-helixtrans-70.8-36.5177.2-68.1-176.1000113.7I428 I429 I430 L438I428-L432 HydrophobicContact CG2-CD1 3.99Å; I428-L432 HydrophobicContact CG2-CG 4.28Å; I428-L432 WeakPolarHBondContact O-CB 3.24Å; I428-L432 WeakPolarHBondContact O-CG 3.21Å; I428-L432 PolarHBondContact O-N 3.26Å; I429-L432 PolarHBondContact O-N 3.16Å; I430-L432 VanDerWaalsContact C-N 3.27Å; I430-L432 PolarHBondContact O-N 2.86Å; L432-L438 HydrophobicContact CD1-CD1 4.26Å; L432-L438 HydrophobicContact CD2-CD1 3.31Å; L432-L438 HydrophobicContact CG-CD1 4.39Å
433I81.6Confident81.9Confident117 Ų11745.7 Ų45.760%0.623%0.234SC*.Hα-helixtrans-70.6-40.2177.4-70.8169.1000110.6I429 I430I429-I433 HydrophobicContact CG2-CD1 3.72Å; I429-I433 VanDerWaalsContact O-CG1 3.3Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 3.45Å; I430-I433 PolarHBondContact O-N 2.85Å
434M75.6Confident81.9Confident39 Ų3945.7 Ų45.719%0.19223%0.234CC..Hα-helixtrans-91-30.7-167.2-169.217162.500112.8I34 T38 I430I34-M434 WeakPolarHBondContact CA-SD 3.37Å; I34-M434 HydrophobicContact CB-CE 3.95Å; I34-M434 HydrophobicContact CB-CG 4.04Å; I34-M434 HydrophobicContact CB-SD 3.37Å; I34-M434 WeakPolarHBondContact CB-SD 3.15Å; I34-M434 HydrophobicContact CD1-CG 3.61Å; I34-M434 HydrophobicContact CD1-SD 4.18Å; I34-M434 HydrophobicContact CG1-CE 4.36Å; I34-M434 HydrophobicContact CG1-CG 3.38Å; I34-M434 HydrophobicContact CG1-SD 3.35Å; I34-M434 WeakPolarHBondContact CG1-SD 3.43Å; I34-M434 HydrophobicContact CG2-CE 3.09Å; I34-M434 HydrophobicContact CG2-CG 3.97Å; I34-M434 HydrophobicContact CG2-SD 3.27Å; I34-M434 WeakPolarHBondContact CG2-SD 3.32Å; T38-M434 HydrophobicContact CG2-CE 3.66Å; T38-M434 HydrophobicContact CG2-SD 4.47Å; I430-M434 HydrophobicContact CG2-CE 3.94Å; I430-M434 HydrophobicContact CG2-SD 4.05Å; I430-M434 WeakPolarHBondContact O-CB 3.39Å; I430-M434 PolarHBondContact O-N 3.32Å
435I74Confident81.9Confident15 Ų1545 Ų458%0.07723%0.232CC..SBendtrans-101.5114.3176.8-53.6176.7000108.1A431 N437 C440 I444 I493A431-I435 WeakPolarHBondContact O-CA 3.27Å; A431-I435 WeakPolarHBondContact O-CB 3.48Å; A431-I435 WeakPolarHBondContact O-CG1 3.29Å; A431-I435 PolarHBondContact O-N 3.45Å; I435-N437 PolarHBondContact O-N 3.26Å; I435-C440 HydrophobicContact CG2-CB 4.34Å; I435-I444 HydrophobicContact CD1-CD1 3.23Å; I435-I493 HydrophobicContact CG2-CD1 3.5Å; I435-I493 VanDerWaalsContact CG2-CD1 3.5Å
436P68.6Low81.9Confident30 Ų3046 Ų4620%0.19523%0.232CC..SBendtrans-69.14-173.338.2-48.7000114.3S575 L579P436-S575 VanDerWaalsContact O-CB 3.32Å; P436-S575 WeakPolarHBondContact O-CB 3.06Å; P436-S575 PolarHBondContact O-OG 2.81Å; P436-L579 HydrophobicContact CB-CD1 4.18Å; P436-L579 HydrophobicContact CB-CD2 4.42Å; P436-L579 HydrophobicContact CB-CG 3.7Å; P436-L579 HydrophobicContact CG-CD1 3.47Å; P436-L579 VanDerWaalsContact CG-CD1 3.47Å; P436-L579 HydrophobicContact CG-CD2 4.08Å; P436-L579 HydrophobicContact CG-CG 3.48Å; P436-L579 VanDerWaalsContact CG-CG 3.48Å
437N74.2Confident82.1Confident25 Ų2545.5 Ų45.513%0.13423%0.229CC..  trans-125103.8-178.5-175.6-14.8000109.5I435 Y439 C440 G441 I493I435-N437 PolarHBondContact O-N 3.26Å; N437-Y439 PolarHBondContact O-N 3.46Å; N437-Y439 PolarHBondContact OD1-N 3.07Å; N437-Y439 VanDerWaalsContact OD1-N 3.12Å; N437-C440 HydrophobicContact CB-CB 4.16Å; N437-C440 PolarHBondContact O-N 3.48Å; N437-C440 VanDerWaalsContact O-N 3.08Å; N437-G441 PolarHBondContact O-N 3.34Å; N437-I493 HydrophobicContact CB-CD1 4.43Å
438L80Confident82.3Confident102 Ų10245.5 Ų45.553%0.53423%0.229SC..Hα-helixtrans-49.7-43179.6176.959.7000112.6L432 G441 L442L432-L438 HydrophobicContact CD1-CD1 4.26Å; L432-L438 HydrophobicContact CD2-CD1 3.31Å; L432-L438 HydrophobicContact CG-CD1 4.39Å; L438-G441 PolarHBondContact O-N 2.93Å; L438-L442 WeakPolarHBondContact O-CB 3.49Å; L438-L442 PolarHBondContact O-N 3.31Å
439Y82.4Confident82.7Confident120 Ų12046.3 Ų46.347%0.47123%0.234SC..Hα-helixtrans-66.9-40.9-177.6-62.5-75.8000111.9N437 L442 F443 R571N437-Y439 PolarHBondContact O-N 3.46Å; N437-Y439 PolarHBondContact OD1-N 3.07Å; N437-Y439 VanDerWaalsContact OD1-N 3.12Å; Y439-L442 WeakPolarHBondContact O-CB 3.48Å; Y439-L442 PolarHBondContact O-N 2.65Å; Y439-F443 VanDerWaalsContact O-CD2 3.23Å; Y439-F443 WeakPolarHBondContact O-CD2 3.01Å; Y439-F443 PolarHBondContact O-N 2.92Å; Y439-R571 PolarHBondContact OH-NH1 2.9Å
440C82.4Confident83.1Confident0 Ų042.2 Ų42.20%021%0.213CC..Hα-helixtrans-66.7-43.7177.7-1740000111.1I435 N437 L442 F443 I444 I493 L566I435-C440 HydrophobicContact CG2-CB 4.34Å; N437-C440 HydrophobicContact CB-CB 4.16Å; N437-C440 PolarHBondContact O-N 3.48Å; N437-C440 VanDerWaalsContact O-N 3.08Å; C440-L442 VanDerWaalsContact C-N 3.26Å; C440-L442 PolarHBondContact O-N 3.21Å; C440-F443 PolarHBondContact O-N 3.27Å; C440-I444 VanDerWaalsContact O-CG1 3.29Å; C440-I444 WeakPolarHBondContact O-CG1 3.45Å; C440-I444 PolarHBondContact O-N 3.06Å; C440-I493 HydrophobicContact CB-CD1 3.8Å; C440-I493 HydrophobicContact CB-CG1 4.34Å; C440-I493 WeakPolarHBondContact SG-CD1 3.46Å; C440-L566 HydrophobicContact CB-CD2 4.4Å
441G82.6Confident83.6Confident0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-54.5-43.5171.600000112N437 L438 I444 T445N437-G441 PolarHBondContact O-N 3.34Å; L438-G441 PolarHBondContact O-N 2.93Å; G441-I444 PolarHBondContact O-N 3.16Å; G441-T445 WeakPolarHBondContact O-CG2 3.43Å; G441-T445 PolarHBondContact O-N 2.72Å; G441-T445 PolarHBondContact O-OG1 3.17Å
442L84.4Confident84.3Confident79 Ų7941.4 Ų41.441%0.41421%0.208SC..Hα-helixtrans-61.8-46.4177.4-126.3160.3000112.5L438 Y439 C440 I444 T445 M446L438-L442 WeakPolarHBondContact O-CB 3.49Å; L438-L442 PolarHBondContact O-N 3.31Å; Y439-L442 WeakPolarHBondContact O-CB 3.48Å; Y439-L442 PolarHBondContact O-N 2.65Å; C440-L442 VanDerWaalsContact C-N 3.26Å; C440-L442 PolarHBondContact O-N 3.21Å; L442-I444 VanDerWaalsContact C-N 3.34Å; L442-I444 PolarHBondContact O-N 3.3Å; L442-T445 WeakPolarHBondContact CA-OG1 3.34Å; L442-T445 PolarHBondContact O-N 3.22Å; L442-T445 PolarHBondContact O-OG1 3.39Å; L442-M446 HydrophobicContact CD2-CE 3.77Å; L442-M446 HydrophobicContact CD2-CG 4.23Å; L442-M446 WeakPolarHBondContact O-CG 3.36Å; L442-M446 PolarHBondContact O-N 2.83Å
443F88Confident85Confident48 Ų4839.8 Ų39.821%0.21120%0.201CC..Hα-helixtrans-64.2-38.2177.2-84.2-73.2000113.2Y439 C440 T445 M446 S447 L558 A561 L562 F565 L566Y439-F443 VanDerWaalsContact O-CD2 3.23Å; Y439-F443 WeakPolarHBondContact O-CD2 3.01Å; Y439-F443 PolarHBondContact O-N 2.92Å; C440-F443 PolarHBondContact O-N 3.27Å; F443-T445 VanDerWaalsContact C-N 3.34Å; F443-M446 PolarHBondContact O-N 3.34Å; F443-S447 WeakPolarHBondContact O-CB 3.41Å; F443-S447 PolarHBondContact O-N 2.96Å; F443-L558 HydrophobicContact CB-CD1 4.47Å; F443-A561 HydrophobicContact CD1-CB 4.12Å; F443-A561 HydrophobicContact CE1-CB 4.3Å; F443-L562 HydrophobicContact CB-CD2 4.14Å; F443-L562 HydrophobicContact CG-CD2 4.41Å; F443-F565 HydrophobicContact CE1-CB 3.99Å; F443-F565 AromaticContact CE1-CD2 3.46Å; F443-F565 HydrophobicContact CE1-CD2 3.46Å; F443-F565 VanDerWaalsContact CE1-CD2 3.46Å; F443-F565 HydrophobicContact CE1-CE2 4.19Å; F443-F565 AromaticContact CE1-CG 3.94Å; F443-F565 HydrophobicContact CE1-CG 3.94Å; F443-F565 HydrophobicContact CE2-CB 3.64Å; F443-F565 HydrophobicContact CE2-CG 4.4Å; F443-F565 HydrophobicContact CZ-CB 3.17Å; F443-F565 HydrophobicContact CZ-CD1 4.39Å; F443-F565 AromaticContact CZ-CD2 3.52Å; F443-F565 HydrophobicContact CZ-CD2 3.52Å; F443-F565 HydrophobicContact CZ-CE2 4.48Å; F443-F565 AromaticContact CZ-CG 3.46Å; F443-F565 HydrophobicContact CZ-CG 3.46Å; F443-F565 VanDerWaalsContact CZ-CG 3.46Å; F443-L566 HydrophobicContact CD2-CD1 3.42Å; F443-L566 VanDerWaalsContact CD2-CD1 3.42Å; F443-L566 HydrophobicContact CE2-CD1 3.36Å; F443-L566 HydrophobicContact CZ-CD1 4.48Å
444I87.3Confident85.7Confident1 Ų134.2 Ų34.21%0.00517%0.173CC..Hα-helixtrans-60.5-46.7173.6-70.2165.7000110I435 C440 G441 L442 M446 S447 M448 S489I435-I444 HydrophobicContact CD1-CD1 3.23Å; C440-I444 VanDerWaalsContact O-CG1 3.29Å; C440-I444 WeakPolarHBondContact O-CG1 3.45Å; C440-I444 PolarHBondContact O-N 3.06Å; G441-I444 PolarHBondContact O-N 3.16Å; L442-I444 VanDerWaalsContact C-N 3.34Å; L442-I444 PolarHBondContact O-N 3.3Å; I444-M446 PolarHBondContact O-N 3.47Å; I444-S447 WeakPolarHBondContact O-CB 3.41Å; I444-S447 PolarHBondContact O-N 3.31Å; I444-M448 HydrophobicContact CG2-CE 3.14Å; I444-M448 HydrophobicContact CG2-SD 4.23Å; I444-M448 WeakPolarHBondContact O-CG 3.41Å; I444-M448 PolarHBondContact O-N 3.35Å; I444-S489 VanDerWaalsContact CD1-CB 3.45Å; I444-S489 VanDerWaalsContact CG1-OG 3.25Å; I444-S489 WeakPolarHBondContact CG1-OG 3.34Å
445T86.8Confident86.6Confident13 Ų1332.3 Ų32.38%0.0816%0.163CC..Hα-helixtrans-66.5-36.3179.962.50000112.8I428 A431 G441 L442 F443 M448 L449I428-T445 HydrophobicContact CB-CG2 4.13Å; I428-T445 HydrophobicContact CG1-CG2 3.47Å; I428-T445 VanDerWaalsContact CG1-CG2 3.47Å; I428-T445 HydrophobicContact CG2-CG2 4.47Å; A431-T445 HydrophobicContact CB-CG2 4.45Å; G441-T445 WeakPolarHBondContact O-CG2 3.43Å; G441-T445 PolarHBondContact O-N 2.72Å; G441-T445 PolarHBondContact O-OG1 3.17Å; L442-T445 WeakPolarHBondContact CA-OG1 3.34Å; L442-T445 PolarHBondContact O-N 3.22Å; L442-T445 PolarHBondContact O-OG1 3.39Å; F443-T445 VanDerWaalsContact C-N 3.34Å; T445-M448 PolarHBondContact O-N 3.03Å; T445-L449 PolarHBondContact O-N 3.23Å
446M88.8Confident87.5Confident104 Ų10432.2 Ų32.251%0.51216%0.162SC..Hα-helixtrans-66.4-39.1173.3-70.9-65.7170.700111.8L442 F443 I444 L449 S450L442-M446 HydrophobicContact CD2-CE 3.77Å; L442-M446 HydrophobicContact CD2-CG 4.23Å; L442-M446 WeakPolarHBondContact O-CG 3.36Å; L442-M446 PolarHBondContact O-N 2.83Å; F443-M446 PolarHBondContact O-N 3.34Å; I444-M446 PolarHBondContact O-N 3.47Å; M446-L449 PolarHBondContact O-N 3.38Å; M446-S450 VanDerWaalsContact O-CB 3.27Å; M446-S450 WeakPolarHBondContact O-CB 3.49Å; M446-S450 PolarHBondContact O-N 2.98Å
447S90.8Very high88.7Confident10 Ų1030.8 Ų30.87%0.0715%0.153CC..Hα-helixtrans-61.4-45.3172.8-175.20000111.2F443 I444 L449 S450 I451F443-S447 WeakPolarHBondContact O-CB 3.41Å; F443-S447 PolarHBondContact O-N 2.96Å; I444-S447 WeakPolarHBondContact O-CB 3.41Å; I444-S447 PolarHBondContact O-N 3.31Å; S447-L449 PolarHBondContact O-N 2.63Å; S447-S450 WeakPolarHBondContact O-CB 3.24Å; S447-S450 PolarHBondContact O-N 3.48Å; S447-I451 WeakPolarHBondContact O-CD1 3.44Å; S447-I451 VanDerWaalsContact O-CG1 3.26Å; S447-I451 WeakPolarHBondContact O-CG1 3.36Å; S447-I451 PolarHBondContact O-N 3.12Å
448M90.8Very high89.7Confident2 Ų232.2 Ų32.21%0.0116%0.157CC..Hα-helixtrans-59.7-46.2175.8-65.6162.8-174.800112.1F424 I444 T445 S450 I451 N452 A481 V482F424-M448 HydrophobicContact CE1-CB 3.9Å; I444-M448 HydrophobicContact CG2-CE 3.14Å; I444-M448 HydrophobicContact CG2-SD 4.23Å; I444-M448 WeakPolarHBondContact O-CG 3.41Å; I444-M448 PolarHBondContact O-N 3.35Å; T445-M448 PolarHBondContact O-N 3.03Å; M448-S450 VanDerWaalsContact C-N 3.33Å; M448-S450 PolarHBondContact O-N 3.14Å; M448-I451 PolarHBondContact O-N 3.3Å; M448-N452 PolarHBondContact O-N 3.24Å; M448-N452 PolarHBondContact O-ND2 2.86Å; M448-A481 HydrophobicContact CG-CB 4.24Å; M448-V482 HydrophobicContact CE-CB 3.65Å; M448-V482 HydrophobicContact CE-CG1 3.68Å; M448-V482 HydrophobicContact CE-CG2 3.33Å; M448-V482 HydrophobicContact SD-CG2 3.96Å
449L91.8Very high90.4Very high82 Ų8227.4 Ų27.443%0.42913%0.132SC..Hα-helixtrans-61.3-45.1178.4-179.661.1000110.9F424 T445 M446 S447 N452 V453F424-L449 HydrophobicContact CE1-CB 4.19Å; F424-L449 HydrophobicContact CE1-CD1 4.44Å; F424-L449 HydrophobicContact CE2-CD1 4.35Å; F424-L449 HydrophobicContact CZ-CB 4.44Å; F424-L449 HydrophobicContact CZ-CD1 4.11Å; T445-L449 PolarHBondContact O-N 3.23Å; M446-L449 PolarHBondContact O-N 3.38Å; S447-L449 PolarHBondContact O-N 2.63Å; L449-N452 PolarHBondContact O-N 3.35Å; L449-V453 HydrophobicContact CD1-CG2 4.25Å; L449-V453 HydrophobicContact CG-CG2 4.48Å; L449-V453 VanDerWaalsContact O-CG2 3.31Å; L449-V453 WeakPolarHBondContact O-CG2 3.43Å; L449-V453 PolarHBondContact O-N 3.18Å
450S94.6Very high90.8Very high4 Ų422.6 Ų22.63%0.02812%0.115CC..Hα-helixtrans-58-48175.9-1770000112.3Y214 Y217 M446 S447 M448 N452 V453 G454 H553Y214-S450 VanDerWaalsContact CE2-OG 3.26Å; Y214-S450 WeakPolarHBondContact CE2-OG 3.29Å; Y214-S450 WeakPolarHBondContact OH-CB 3.39Å; Y214-S450 PolarHBondContact OH-OG 3.38Å; Y217-S450 PolarHBondContact OH-O 3.32Å; Y217-S450 VanDerWaalsContact OH-O 3.11Å; M446-S450 VanDerWaalsContact O-CB 3.27Å; M446-S450 WeakPolarHBondContact O-CB 3.49Å; M446-S450 PolarHBondContact O-N 2.98Å; S447-S450 WeakPolarHBondContact O-CB 3.24Å; S447-S450 PolarHBondContact O-N 3.48Å; M448-S450 VanDerWaalsContact C-N 3.33Å; M448-S450 PolarHBondContact O-N 3.14Å; S450-N452 VanDerWaalsContact C-N 3.35Å; S450-N452 PolarHBondContact O-N 3.42Å; S450-V453 PolarHBondContact O-N 2.92Å; S450-G454 PolarHBondContact O-N 2.86Å; S450-H553 WeakPolarHBondContact CB-NE2 3.46Å; S450-H553 PolarHBondContact OG-NE2 3.13Å
451I94.2Very high91.4Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-59.2-46.5176.9-67159.6000110.4S447 M448 G454 V455 A481 L549 H553S447-I451 WeakPolarHBondContact O-CD1 3.44Å; S447-I451 VanDerWaalsContact O-CG1 3.26Å; S447-I451 WeakPolarHBondContact O-CG1 3.36Å; S447-I451 PolarHBondContact O-N 3.12Å; M448-I451 PolarHBondContact O-N 3.3Å; I451-G454 CarbonylContact O-C 3.43Å; I451-G454 WeakPolarHBondContact O-CA 3.21Å; I451-G454 PolarHBondContact O-N 2.79Å; I451-V455 HydrophobicContact CG2-CG2 4.16Å; I451-V455 VanDerWaalsContact O-CG2 3.26Å; I451-V455 WeakPolarHBondContact O-CG2 3.44Å; I451-V455 PolarHBondContact O-N 3.35Å; I451-A481 HydrophobicContact CB-CB 4.38Å; I451-A481 HydrophobicContact CD1-CB 3.66Å; I451-A481 HydrophobicContact CG2-CB 4.23Å; I451-L549 HydrophobicContact CG2-CB 4.41Å; I451-H553 HydrophobicContact CD1-CB 3.75Å; I451-H553 HydrophobicContact CG1-CB 3.83Å; I451-H553 VanDerWaalsContact CG1-CG 3.41Å
452N92.5Very high91.8Very high6 Ų631 Ų313%0.03215%0.152CC..Hα-helixtrans-65.6-43.5-179.3-83-97.9000112.6F424 M448 L449 S450 G454 V455 Y456 S477 I478F424-N452 HydrophobicContact CE2-CB 3.98Å; F424-N452 HydrophobicContact CZ-CB 3.6Å; F424-N452 VanDerWaalsContact CZ-ND2 3.32Å; F424-N452 WeakPolarHBondContact CZ-ND2 3.16Å; M448-N452 PolarHBondContact O-N 3.24Å; M448-N452 PolarHBondContact O-ND2 2.86Å; L449-N452 PolarHBondContact O-N 3.35Å; S450-N452 VanDerWaalsContact C-N 3.35Å; S450-N452 PolarHBondContact O-N 3.42Å; N452-G454 VanDerWaalsContact C-N 3.25Å; N452-G454 PolarHBondContact O-N 2.88Å; N452-V455 PolarHBondContact O-N 2.92Å; N452-Y456 VanDerWaalsContact O-CB 3.28Å; N452-Y456 WeakPolarHBondContact O-CB 3.39Å; N452-Y456 PolarHBondContact O-N 2.99Å; N452-S477 PolarHBondContact OD1-OG 2.9Å; N452-I478 WeakPolarHBondContact OD1-CG1 3.42Å
453V94.3Very high92.1Very high38 Ų3830.1 Ų30.123%0.2316%0.163CC..Hα-helixtrans-60.1-40.4173.7171.50000110.1I218 A221 I222 L449 S450 G457I218-V453 HydrophobicContact CD1-CB 4.32Å; I218-V453 HydrophobicContact CD1-CG1 3.85Å; A221-V453 HydrophobicContact CB-CG1 4.07Å; I222-V453 HydrophobicContact CG1-CG1 4.29Å; L449-V453 HydrophobicContact CD1-CG2 4.25Å; L449-V453 HydrophobicContact CG-CG2 4.48Å; L449-V453 VanDerWaalsContact O-CG2 3.31Å; L449-V453 WeakPolarHBondContact O-CG2 3.43Å; L449-V453 PolarHBondContact O-N 3.18Å; S450-V453 PolarHBondContact O-N 2.92Å; V453-G457 PolarHBondContact O-N 3.1Å
454G95.1Very high92.2Very high0 Ų028.1 Ų28.10%015%0.154CC..Hα-helixtrans-59.3-54.1170.900000113.3Y217 S450 I451 N452 Y456 G457 Y458Y217-G454 VanDerWaalsContact OH-CA 3.29Å; Y217-G454 WeakPolarHBondContact OH-CA 3.48Å; S450-G454 PolarHBondContact O-N 2.86Å; I451-G454 CarbonylContact O-C 3.43Å; I451-G454 WeakPolarHBondContact O-CA 3.21Å; I451-G454 PolarHBondContact O-N 2.79Å; N452-G454 VanDerWaalsContact C-N 3.25Å; N452-G454 PolarHBondContact O-N 2.88Å; G454-Y456 VanDerWaalsContact C-N 3.28Å; G454-Y456 PolarHBondContact O-N 3.04Å; G454-G457 PolarHBondContact O-N 3.17Å; G454-Y458 WeakPolarHBondContact O-CB 3.37Å; G454-Y458 WeakPolarHBondContact O-CD2 3.43Å; G454-Y458 PolarHBondContact O-N 2.69Å
455V94.6Very high92.3Very high0 Ų029.8 Ų29.80%016%0.163CC..Hα-helixtrans-57.9-46-178.5174.50000110.1I451 N452 M459 L474 L545 V546 L549I451-V455 HydrophobicContact CG2-CG2 4.16Å; I451-V455 VanDerWaalsContact O-CG2 3.26Å; I451-V455 WeakPolarHBondContact O-CG2 3.44Å; I451-V455 PolarHBondContact O-N 3.35Å; N452-V455 PolarHBondContact O-N 2.92Å; V455-M459 VanDerWaalsContact O-CB 3.29Å; V455-M459 WeakPolarHBondContact O-CB 3.36Å; V455-M459 VanDerWaalsContact O-CG 3.3Å; V455-M459 WeakPolarHBondContact O-CG 3.43Å; V455-M459 PolarHBondContact O-N 3.15Å; V455-M459 VanDerWaalsContact O-N 3.07Å; V455-L474 HydrophobicContact CB-CD2 4.32Å; V455-L474 HydrophobicContact CG1-CD2 3.77Å; V455-L545 HydrophobicContact CB-CD2 4.28Å; V455-L545 HydrophobicContact CG1-CD2 4.14Å; V455-L545 HydrophobicContact CG2-CG 4.37Å; V455-L545 VanDerWaalsContact O-CD2 3.24Å; V455-L545 WeakPolarHBondContact O-CD2 3.29Å; V455-V546 HydrophobicContact CB-CG2 4.47Å; V455-V546 HydrophobicContact CG1-CG2 3.86Å; V455-V546 HydrophobicContact CG2-CB 4.39Å; V455-V546 HydrophobicContact CG2-CG2 3.73Å; V455-L549 HydrophobicContact CG2-CD1 4Å
456Y93.3Very high92.4Very high12 Ų1229.2 Ų29.25%0.04716%0.159CC..Hα-helixtrans-65.4-38.7177.9-167.6-84.2000113.2C225 I228 W417 N452 G454 M459 L466 L474C225-Y456 HydrophobicContact CB-CD1 3.91Å; C225-Y456 HydrophobicContact CB-CE1 4.15Å; C225-Y456 VanDerWaalsContact SG-CD1 3.56Å; I228-Y456 HydrophobicContact CB-CE1 4.39Å; I228-Y456 HydrophobicContact CD1-CD1 4.29Å; I228-Y456 HydrophobicContact CD1-CE1 3.85Å; I228-Y456 HydrophobicContact CD1-CE2 4.15Å; I228-Y456 HydrophobicContact CG2-CE1 3.86Å; W417-Y456 HydrophobicContact CZ2-CE1 4.18Å; W417-Y456 HydrophobicContact CZ2-CE2 4.28Å; W417-Y456 AromaticContact CZ2-CZ 3.89Å; N452-Y456 VanDerWaalsContact O-CB 3.28Å; N452-Y456 WeakPolarHBondContact O-CB 3.39Å; N452-Y456 PolarHBondContact O-N 2.99Å; G454-Y456 VanDerWaalsContact C-N 3.28Å; G454-Y456 PolarHBondContact O-N 3.04Å; Y456-M459 HydrophobicContact CD1-CE 4.34Å; Y456-M459 HydrophobicContact CD2-CE 3.33Å; Y456-M459 HydrophobicContact CE2-CE 3.7Å; Y456-M459 HydrophobicContact CG-CE 3.7Å; Y456-M459 VanDerWaalsContact O-CG 3.22Å; Y456-M459 WeakPolarHBondContact O-CG 3.38Å; Y456-L466 HydrophobicContact CE2-CD1 3.9Å; Y456-L466 HydrophobicContact CE2-CD2 4.15Å; Y456-L474 HydrophobicContact CD2-CD1 3.77Å; Y456-L474 HydrophobicContact CD2-CD2 4.21Å; Y456-L474 HydrophobicContact CE2-CD1 4.25Å
457G94.7Very high92.3Very high0 Ų024.7 Ų24.70%014%0.137CC..Hα-helixtrans-74.5-49.3179.200000113.4A221 G224 V453 G454 M459 S460 L461A221-G457 VanDerWaalsContact O-CA 3.27Å; A221-G457 WeakPolarHBondContact O-CA 3.43Å; G224-G457 WeakPolarHBondContact CA-O 3.49Å; V453-G457 PolarHBondContact O-N 3.1Å; G454-G457 PolarHBondContact O-N 3.17Å; G457-M459 VanDerWaalsContact C-N 3.34Å; G457-M459 PolarHBondContact O-N 3.26Å; G457-S460 WeakPolarHBondContact O-CB 3.29Å; G457-S460 PolarHBondContact O-N 3.47Å; G457-L461 PolarHBondContact O-N 3.41Å
458Y95.4Very high92.1Very high56 Ų5625 Ų2522%0.2214%0.139CC..Hα-helixtrans-72.7-24.6-177.5-75.8-79.5000112.8Y217 I220 A221 G454 S460 L461 W462 L545 L549Y217-Y458 AromaticContact CD2-CE2 3.46Å; Y217-Y458 HydrophobicContact CD2-CE2 3.46Å; Y217-Y458 VanDerWaalsContact CD2-CE2 3.46Å; Y217-Y458 AromaticContact CD2-CZ 3.89Å; Y217-Y458 WeakPolarHBondContact CD2-OH 3.01Å; Y217-Y458 HydrophobicContact CE2-CD2 4.09Å; Y217-Y458 AromaticContact CE2-CE2 3.37Å; Y217-Y458 HydrophobicContact CE2-CE2 3.37Å; I220-Y458 HydrophobicContact CG2-CD1 4.43Å; I220-Y458 HydrophobicContact CG2-CE1 3.63Å; A221-Y458 HydrophobicContact CB-CD2 4.48Å; A221-Y458 HydrophobicContact CB-CE2 4.14Å; G454-Y458 WeakPolarHBondContact O-CB 3.37Å; G454-Y458 WeakPolarHBondContact O-CD2 3.43Å; G454-Y458 PolarHBondContact O-N 2.69Å; Y458-S460 VanDerWaalsContact C-N 3.29Å; Y458-S460 PolarHBondContact O-N 2.96Å; Y458-L461 HydrophobicContact CD1-CD1 3.94Å; Y458-L461 HydrophobicContact CE1-CD1 4.25Å; Y458-L461 PolarHBondContact O-N 2.98Å; Y458-W462 WeakPolarHBondContact O-CB 3.39Å; Y458-W462 PolarHBondContact O-N 3.41Å; Y458-L545 HydrophobicContact CG-CD1 4.33Å; Y458-L549 HydrophobicContact CD2-CD1 4.29Å
459M93.6Very high91.9Very high1 Ų126.8 Ų26.81%0.00515%0.149CC..Hα-helixtrans-63.5-37.5171.973.2-178.9178.900111.7I228 V455 Y456 G457 W462 G463 V464 L466 L474 T542 L545I228-M459 HydrophobicContact CD1-CE 3.14Å; I228-M459 HydrophobicContact CD1-CG 4.3Å; I228-M459 HydrophobicContact CD1-SD 4.45Å; V455-M459 VanDerWaalsContact O-CB 3.29Å; V455-M459 WeakPolarHBondContact O-CB 3.36Å; V455-M459 VanDerWaalsContact O-CG 3.3Å; V455-M459 WeakPolarHBondContact O-CG 3.43Å; V455-M459 PolarHBondContact O-N 3.15Å; V455-M459 VanDerWaalsContact O-N 3.07Å; Y456-M459 HydrophobicContact CD1-CE 4.34Å; Y456-M459 HydrophobicContact CD2-CE 3.33Å; Y456-M459 HydrophobicContact CE2-CE 3.7Å; Y456-M459 HydrophobicContact CG-CE 3.7Å; Y456-M459 VanDerWaalsContact O-CG 3.22Å; Y456-M459 WeakPolarHBondContact O-CG 3.38Å; G457-M459 VanDerWaalsContact C-N 3.34Å; G457-M459 PolarHBondContact O-N 3.26Å; M459-W462 CarbonylContact O-C 3.59Å; M459-W462 PolarHBondContact O-N 2.95Å; M459-W462 VanDerWaalsContact O-N 3.16Å; M459-G463 PolarHBondContact O-N 3.44Å; M459-V464 HydrophobicContact CB-CB 4.03Å; M459-V464 HydrophobicContact CB-CG1 4.23Å; M459-V464 WeakPolarHBondContact O-CB 3.39Å; M459-V464 PolarHBondContact O-N 3.4Å; M459-L466 HydrophobicContact CE-CD1 3.93Å; M459-L474 HydrophobicContact CE-CD1 4.03Å; M459-L474 HydrophobicContact CE-CD2 4.47Å; M459-L474 HydrophobicContact SD-CD2 4.49Å; M459-T542 HydrophobicContact CB-CG2 4.47Å; M459-L545 HydrophobicContact CB-CD2 4.35Å
460S92.1Very high91.8Very high18 Ų1822.9 Ų22.913%0.12613%0.128CC..Hα-helixtrans-61-45.4173.3176.90000111.3G224 I228 G457 Y458 W462 G463G224-S460 WeakPolarHBondContact O-CB 3.45Å; G224-S460 PolarHBondContact O-OG 3.3Å; I228-S460 WeakPolarHBondContact CA-OG 3.28Å; I228-S460 PolarHBondContact N-OG 2.77Å; G457-S460 WeakPolarHBondContact O-CB 3.29Å; G457-S460 PolarHBondContact O-N 3.47Å; Y458-S460 VanDerWaalsContact C-N 3.29Å; Y458-S460 PolarHBondContact O-N 2.96Å; S460-W462 PolarHBondContact O-N 3.47Å; S460-G463 PolarHBondContact O-N 3.28Å
461L92.9Very high91.6Very high71 Ų7122.8 Ų22.837%0.37213%0.127SC..Hα-helixtrans-66.1-26.7176.6-59.1178.5000112.9I220 W223 G457 Y458 G463I220-L461 HydrophobicContact CG2-CD1 3.42Å; I220-L461 VanDerWaalsContact CG2-CD1 3.42Å; W223-L461 HydrophobicContact CE3-CD2 3.76Å; W223-L461 HydrophobicContact CH2-CD2 4.08Å; W223-L461 HydrophobicContact CZ3-CD1 4.5Å; W223-L461 HydrophobicContact CZ3-CD2 3.36Å; G457-L461 PolarHBondContact O-N 3.41Å; Y458-L461 HydrophobicContact CD1-CD1 3.94Å; Y458-L461 HydrophobicContact CE1-CD1 4.25Å; Y458-L461 PolarHBondContact O-N 2.98Å; L461-G463 VanDerWaalsContact C-N 3.26Å; L461-G463 PolarHBondContact O-N 3.13Å
462W92.8Very high91.3Very high105 Ų10523.7 Ų23.740%0.39813%0.132SC..THydrogen-bonded Turntrans-889.7175.8-149.2-7.3000113.8Y458 M459 S460 V464 K541 F544Y458-W462 WeakPolarHBondContact O-CB 3.39Å; Y458-W462 PolarHBondContact O-N 3.41Å; M459-W462 CarbonylContact O-C 3.59Å; M459-W462 PolarHBondContact O-N 2.95Å; M459-W462 VanDerWaalsContact O-N 3.16Å; S460-W462 PolarHBondContact O-N 3.47Å; W462-V464 VanDerWaalsContact C-N 3.32Å; W462-V464 PolarHBondContact O-N 2.85Å; W462-K541 HydrophobicContact CD2-CB 4.39Å; W462-K541 HydrophobicContact CD2-CD 4.15Å; W462-K541 HydrophobicContact CD2-CG 4.18Å; W462-K541 HydrophobicContact CE3-CB 4.11Å; W462-K541 HydrophobicContact CE3-CG 4.34Å; W462-K541 HydrophobicContact CG-CD 4.26Å; W462-K541 HydrophobicContact CH2-CG 4.33Å; W462-K541 HydrophobicContact CZ2-CG 4.18Å; W462-K541 HydrophobicContact CZ3-CB 4.17Å; W462-K541 HydrophobicContact CZ3-CG 4.4Å; W462-K541 WeakPolarHBondContact CZ3-O 3.43Å; W462-K541 PolarHBondContact O-NZ 3.09Å; W462-F544 AromaticContact CH2-CD1 3.67Å; W462-F544 HydrophobicContact CH2-CD1 3.67Å; W462-F544 HydrophobicContact CH2-CE1 4.13Å; W462-F544 HydrophobicContact CH2-CG 4.39Å; W462-F544 AromaticContact CZ3-CD1 3.87Å; W462-F544 HydrophobicContact CZ3-CD1 3.87Å
463G89.7Confident91.2Very high62 Ų6223.4 Ų23.464%0.63913%0.13SC*.THydrogen-bonded Turntrans68.328.6177.800000113.7M459 S460 L461M459-G463 PolarHBondContact O-N 3.44Å; S460-G463 PolarHBondContact O-N 3.28Å; L461-G463 VanDerWaalsContact C-N 3.26Å; L461-G463 PolarHBondContact O-N 3.13Å
464V90.2Very high91.1Very high5 Ų521.6 Ų21.63%0.0312%0.119CC..  trans-96.7128.2174.5170.50000109.1M459 W462 T538 K541 T542M459-V464 HydrophobicContact CB-CB 4.03Å; M459-V464 HydrophobicContact CB-CG1 4.23Å; M459-V464 WeakPolarHBondContact O-CB 3.39Å; M459-V464 PolarHBondContact O-N 3.4Å; W462-V464 VanDerWaalsContact C-N 3.32Å; W462-V464 PolarHBondContact O-N 2.85Å; V464-T538 HydrophobicContact CB-CG2 4.45Å; V464-T538 HydrophobicContact CG1-CG2 3.46Å; V464-T538 VanDerWaalsContact CG1-CG2 3.46Å; V464-T538 HydrophobicContact CG2-CG2 4.24Å; V464-K541 HydrophobicContact CG2-CB 4.34Å; V464-K541 HydrophobicContact CG2-CD 3.76Å; V464-T542 HydrophobicContact CG1-CG2 4.1Å
465N89.5Confident90.8Very high37 Ų3721.7 Ų21.720%0.19812%0.12CC..  trans-81.9156.9177-63.8-15.5000111.5K229 G231 D467 S470K229-N465 CarbonylContact O-C 3.57Å; K229-N465 VanDerWaalsContact O-CA 3.31Å; K229-N465 WeakPolarHBondContact O-CA 3.38Å; K229-N465 WeakPolarHBondContact O-CB 3.39Å; G231-N465 VanDerWaalsContact O-CB 3.29Å; G231-N465 WeakPolarHBondContact O-CB 3.25Å; G231-N465 PolarHBondContact O-ND2 2.99Å; G231-N465 VanDerWaalsContact O-ND2 3.1Å; N465-D467 PolarHBondContact O-N 3.04Å; N465-S470 PolarHBondContact O-OG 3.26Å
466L89.5Confident90.5Very high0 Ų022.5 Ų22.50%012%0.124CC..BIsolated β-bridgetrans-77.1112167.4-17267.9000110I228 K229 G231 V412 A413 T416 Y456 M459 S470 L474I228-L466 HydrophobicContact CD1-CB 3.93Å; I228-L466 HydrophobicContact CG1-CB 4.31Å; K229-L466 PolarHBondContact O-N 2.84Å; G231-L466 PolarHBondContact N-O 3.34Å; V412-L466 HydrophobicContact CG1-CD2 4.47Å; V412-L466 HydrophobicContact CG1-CG 4.12Å; A413-L466 HydrophobicContact CB-CD2 4.01Å; T416-L466 HydrophobicContact CG2-CD1 4.27Å; Y456-L466 HydrophobicContact CE2-CD1 3.9Å; Y456-L466 HydrophobicContact CE2-CD2 4.15Å; M459-L466 HydrophobicContact CE-CD1 3.93Å; L466-S470 WeakPolarHBondContact CA-OG 3.4Å; L466-L474 HydrophobicContact CD1-CD1 3.91Å
467D86.6Confident90.4Very high9 Ų922 Ų225%0.04812%0.122CC..  trans-139-178179.364.936.1000110.8L232 N465 I469 S470 M471L232-D467 HydrophobicContact CB-CB 3.88Å; N465-D467 PolarHBondContact O-N 3.04Å; D467-I469 PolarHBondContact O-N 3.27Å; D467-I469 WeakPolarHBondContact OD1-CA 3.39Å; D467-I469 WeakPolarHBondContact OD1-CB 3.37Å; D467-I469 PolarHBondContact OD1-N 2.96Å; D467-S470 PolarHBondContact N-OG 3.1Å; D467-S470 PolarHBondContact O-OG 3.36Å; D467-S470 PolarHBondContact OD1-N 3Å; D467-S470 PolarHBondContact OD1-OG 3.07Å; D467-M471 WeakPolarHBondContact O-CB 3.29Å; D467-M471 PolarHBondContact O-N 3.42Å
468C85.6Confident90.2Very high16 Ų1622 Ų2211%0.10812%0.122CC..Hα-helixtrans-63.2-26.3-179.6-64.40000113.6Q408 I472Q408-C468 PolarHBondContact NE2-SG 3.12Å; C468-I472 WeakPolarHBondContact O-CG1 3.41Å; C468-I472 PolarHBondContact O-N 3.07Å
469I86.9Confident89.7Confident41 Ų4119.4 Ų19.421%0.2111%0.112CC..Hα-helixtrans-82.5-44.9-179.7-61.7-171.1000110.4D467 M471 I472 T473 L535 F539D467-I469 PolarHBondContact O-N 3.27Å; D467-I469 WeakPolarHBondContact OD1-CA 3.39Å; D467-I469 WeakPolarHBondContact OD1-CB 3.37Å; D467-I469 PolarHBondContact OD1-N 2.96Å; I469-M471 PolarHBondContact O-N 3.46Å; I469-I472 WeakPolarHBondContact O-CB 3.35Å; I469-I472 PolarHBondContact O-N 3.13Å; I469-T473 PolarHBondContact O-N 2.87Å; I469-L535 HydrophobicContact CD1-CD1 3.2Å; I469-L535 HydrophobicContact CD1-CD2 3.7Å; I469-L535 HydrophobicContact CD1-CG 3.28Å; I469-L535 HydrophobicContact CG1-CD1 4.3Å; I469-F539 HydrophobicContact CG2-CB 4.32Å; I469-F539 HydrophobicContact CG2-CD2 4.07Å
470S89.7Confident89.4Confident0 Ų021.9 Ų21.90%012%0.123CC..Hα-helixtrans-63-30.917254.40000111.4N465 L466 D467 I472 T473 L474N465-S470 PolarHBondContact O-OG 3.26Å; L466-S470 WeakPolarHBondContact CA-OG 3.4Å; D467-S470 PolarHBondContact N-OG 3.1Å; D467-S470 PolarHBondContact O-OG 3.36Å; D467-S470 PolarHBondContact OD1-N 3Å; D467-S470 PolarHBondContact OD1-OG 3.07Å; S470-I472 PolarHBondContact O-N 2.8Å; S470-T473 WeakPolarHBondContact CA-OG1 3.28Å; S470-T473 PolarHBondContact O-N 3.13Å; S470-T473 PolarHBondContact O-OG1 2.87Å; S470-T473 VanDerWaalsContact O-OG1 3.11Å; S470-L474 WeakPolarHBondContact O-CB 3.47Å; S470-L474 WeakPolarHBondContact O-CD1 3.31Å; S470-L474 WeakPolarHBondContact O-CG 3.48Å; S470-L474 PolarHBondContact O-N 2.96Å
471M89.5Confident89.2Confident1 Ų121.1 Ų21.11%0.00512%0.118CC..Hα-helixtrans-59.2-45.2168.5-176.6-175.162.300112.5F51 V54 T415 T416 D467 I469 T473 L474 I475F51-M471 HydrophobicContact CD2-CE 3.77Å; F51-M471 HydrophobicContact CD2-SD 4.44Å; F51-M471 HydrophobicContact CE2-CE 4.41Å; V54-M471 HydrophobicContact CB-CE 3.89Å; V54-M471 HydrophobicContact CG1-CE 3.68Å; V54-M471 HydrophobicContact CG2-CE 3.18Å; T415-M471 HydrophobicContact CG2-SD 4.16Å; T416-M471 HydrophobicContact CG2-CG 4.16Å; T416-M471 VanDerWaalsContact OG1-CG 3.28Å; T416-M471 WeakPolarHBondContact OG1-CG 3.4Å; T416-M471 PolarHBondContact OG1-SD 3.08Å; D467-M471 WeakPolarHBondContact O-CB 3.29Å; D467-M471 PolarHBondContact O-N 3.42Å; I469-M471 PolarHBondContact O-N 3.46Å; M471-T473 VanDerWaalsContact C-N 3.34Å; M471-T473 PolarHBondContact O-N 3.48Å; M471-L474 PolarHBondContact O-N 3.19Å; M471-I475 HydrophobicContact CG-CD1 4.21Å; M471-I475 WeakPolarHBondContact O-CG1 3.16Å; M471-I475 PolarHBondContact O-N 2.91Å
472I89.1Confident88.9Confident19 Ų1918 Ų1810%0.09710%0.102CC..Hα-helixtrans-61-45.2176.6-70.5166.9000110.5V54 F57 C468 I469 S470 L474 I475 M476V54-I472 HydrophobicContact CB-CD1 4.46Å; V54-I472 HydrophobicContact CB-CG1 4.28Å; V54-I472 HydrophobicContact CG1-CG1 4.03Å; V54-I472 HydrophobicContact CG2-CD1 3.87Å; V54-I472 HydrophobicContact CG2-CG1 3.8Å; F57-I472 HydrophobicContact CB-CD1 4.3Å; F57-I472 HydrophobicContact CD1-CD1 4.47Å; F57-I472 HydrophobicContact CD1-CG1 4.47Å; F57-I472 HydrophobicContact CD1-CG2 3.41Å; F57-I472 VanDerWaalsContact CD1-CG2 3.41Å; F57-I472 HydrophobicContact CE1-CG2 3.21Å; F57-I472 HydrophobicContact CE2-CG2 4.34Å; F57-I472 HydrophobicContact CG-CD1 4.27Å; F57-I472 HydrophobicContact CG-CG2 4.08Å; F57-I472 HydrophobicContact CZ-CG2 3.72Å; C468-I472 WeakPolarHBondContact O-CG1 3.41Å; C468-I472 PolarHBondContact O-N 3.07Å; I469-I472 WeakPolarHBondContact O-CB 3.35Å; I469-I472 PolarHBondContact O-N 3.13Å; S470-I472 PolarHBondContact O-N 2.8Å; I472-L474 VanDerWaalsContact C-N 3.35Å; I472-L474 PolarHBondContact O-N 2.93Å; I472-I475 PolarHBondContact O-N 3.15Å; I472-M476 WeakPolarHBondContact O-CB 3.33Å; I472-M476 PolarHBondContact O-N 3.36Å
473T90.3Very high88.6Confident0 Ų014.5 Ų14.50%09%0.091CC..Hα-helixtrans-70.9-30.7-177.960.80000112.7I469 S470 M471 M476 S477 F539 T542 V543I469-T473 PolarHBondContact O-N 2.87Å; S470-T473 WeakPolarHBondContact CA-OG1 3.28Å; S470-T473 PolarHBondContact O-N 3.13Å; S470-T473 PolarHBondContact O-OG1 2.87Å; S470-T473 VanDerWaalsContact O-OG1 3.11Å; M471-T473 VanDerWaalsContact C-N 3.34Å; M471-T473 PolarHBondContact O-N 3.48Å; T473-M476 HydrophobicContact CG2-CE 4.2Å; T473-S477 WeakPolarHBondContact O-CB 3.24Å; T473-S477 PolarHBondContact O-N 2.91Å; T473-F539 HydrophobicContact CG2-CD2 3.38Å; T473-F539 HydrophobicContact CG2-CE2 3.49Å; T473-F539 VanDerWaalsContact CG2-CE2 3.49Å; T473-F539 HydrophobicContact CG2-CG 4.27Å; T473-F539 HydrophobicContact CG2-CZ 4.44Å; T473-T542 WeakPolarHBondContact CB-OG1 3.48Å; T473-T542 WeakPolarHBondContact CG2-OG1 3.33Å; T473-T542 VanDerWaalsContact OG1-CB 3.29Å; T473-T542 WeakPolarHBondContact OG1-CB 3.25Å; T473-T542 PolarHBondContact OG1-OG1 3.05Å; T473-V543 HydrophobicContact CG2-CG2 4.12Å
474L91.5Very high88.5Confident1 Ų111.8 Ų11.81%0.0056%0.061CC..Hα-helixtrans-65.3-44.5170-70.3165.6000111.8T416 L420 V455 Y456 M459 L466 S470 M471 I472 S477 I478T416-L474 HydrophobicContact CG2-CD1 4Å; L420-L474 HydrophobicContact CD1-CB 4.41Å; L420-L474 HydrophobicContact CD1-CD1 4.4Å; L420-L474 HydrophobicContact CD2-CB 3.98Å; V455-L474 HydrophobicContact CB-CD2 4.32Å; V455-L474 HydrophobicContact CG1-CD2 3.77Å; Y456-L474 HydrophobicContact CD2-CD1 3.77Å; Y456-L474 HydrophobicContact CD2-CD2 4.21Å; Y456-L474 HydrophobicContact CE2-CD1 4.25Å; M459-L474 HydrophobicContact CE-CD1 4.03Å; M459-L474 HydrophobicContact CE-CD2 4.47Å; M459-L474 HydrophobicContact SD-CD2 4.49Å; L466-L474 HydrophobicContact CD1-CD1 3.91Å; S470-L474 WeakPolarHBondContact O-CB 3.47Å; S470-L474 WeakPolarHBondContact O-CD1 3.31Å; S470-L474 WeakPolarHBondContact O-CG 3.48Å; S470-L474 PolarHBondContact O-N 2.96Å; M471-L474 PolarHBondContact O-N 3.19Å; I472-L474 VanDerWaalsContact C-N 3.35Å; I472-L474 PolarHBondContact O-N 2.93Å; L474-S477 WeakPolarHBondContact O-CB 3.41Å; L474-S477 PolarHBondContact O-N 2.98Å; L474-S477 PolarHBondContact O-OG 3.38Å; L474-I478 PolarHBondContact O-N 3.49Å
475I88.9Confident88.5Confident2 Ų211.5 Ų11.51%0.016%0.06CC..Hα-helixtrans-61.6-47.4175.6-68167.7000110.3N419 L420 M471 I472 S477 I478N419-I475 HydrophobicContact CB-CD1 4.16Å; L420-I475 HydrophobicContact CD2-CG1 4.3Å; M471-I475 HydrophobicContact CG-CD1 4.21Å; M471-I475 WeakPolarHBondContact O-CG1 3.16Å; M471-I475 PolarHBondContact O-N 2.91Å; I472-I475 PolarHBondContact O-N 3.15Å; I475-S477 PolarHBondContact O-N 3.41Å; I475-I478 WeakPolarHBondContact O-CB 3.49Å; I475-I478 PolarHBondContact O-N 3.08Å; I475-I478 VanDerWaalsContact O-N 3.14Å
476M89.6Confident88.3Confident17 Ų1710.1 Ų10.18%0.0845%0.053CC..Hα-helixtrans-60.6-32.7176.2-180174.473.900112.2F43 I472 T473 I478 G479 F480 F539 V543F43-M476 HydrophobicContact CE1-CB 4.23Å; F43-M476 HydrophobicContact CZ-CB 4.19Å; F43-M476 HydrophobicContact CZ-CG 4.02Å; I472-M476 WeakPolarHBondContact O-CB 3.33Å; I472-M476 PolarHBondContact O-N 3.36Å; T473-M476 HydrophobicContact CG2-CE 4.2Å; M476-I478 PolarHBondContact O-N 3.03Å; M476-G479 PolarHBondContact O-N 2.94Å; M476-F480 HydrophobicContact CE-CD2 4.43Å; M476-F480 HydrophobicContact CE-CE2 3.92Å; M476-F480 HydrophobicContact CG-CD2 3.6Å; M476-F480 HydrophobicContact CG-CE2 3.37Å; M476-F480 HydrophobicContact CG-CZ 4.27Å; M476-F480 PolarHBondContact O-N 3.39Å; M476-F480 VanDerWaalsContact O-N 3.09Å; M476-F480 HydrophobicContact SD-CD2 4.3Å; M476-F480 HydrophobicContact SD-CE2 3.53Å; M476-F480 VanDerWaalsContact SD-CE2 3.53Å; M476-F480 HydrophobicContact SD-CZ 4.29Å; M476-F539 HydrophobicContact CE-CE2 4.43Å; M476-F539 HydrophobicContact CE-CZ 4.17Å; M476-V543 HydrophobicContact CE-CB 4.47Å; M476-V543 HydrophobicContact CE-CG1 4.44Å; M476-V543 HydrophobicContact CE-CG2 3.32Å
477S90.9Very high88.2Confident0 Ų010.3 Ų10.30%05%0.054CC..Hα-helixtrans-62.3-29.5177.483.50000113.3N452 T473 L474 I475 A481N452-S477 PolarHBondContact OD1-OG 2.9Å; T473-S477 WeakPolarHBondContact O-CB 3.24Å; T473-S477 PolarHBondContact O-N 2.91Å; L474-S477 WeakPolarHBondContact O-CB 3.41Å; L474-S477 PolarHBondContact O-N 2.98Å; L474-S477 PolarHBondContact O-OG 3.38Å; I475-S477 PolarHBondContact O-N 3.41Å; S477-A481 WeakPolarHBondContact O-CB 3.43Å; S477-A481 PolarHBondContact O-N 3.2Å
478I89.3Confident88.3Confident0 Ų010 Ų100%05%0.053CC..Hα-helixtrans-64.1-49.4174.9-63173.7000109.4L420 S423 F424 M427 N452 L474 I475 M476 A481 V482L420-I478 HydrophobicContact CD2-CD1 3.72Å; L420-I478 HydrophobicContact CD2-CG1 4.49Å; S423-I478 VanDerWaalsContact OG-CD1 3.32Å; S423-I478 WeakPolarHBondContact OG-CD1 3.4Å; F424-I478 HydrophobicContact CD2-CD1 3.98Å; F424-I478 HydrophobicContact CE2-CD1 3.93Å; F424-I478 HydrophobicContact CE2-CG1 4.27Å; F424-I478 HydrophobicContact CG-CD1 4.44Å; F424-I478 HydrophobicContact CZ-CD1 4.38Å; F424-I478 HydrophobicContact CZ-CG1 4.27Å; M427-I478 HydrophobicContact CG-CG2 3.64Å; N452-I478 WeakPolarHBondContact OD1-CG1 3.42Å; L474-I478 PolarHBondContact O-N 3.49Å; I475-I478 WeakPolarHBondContact O-CB 3.49Å; I475-I478 PolarHBondContact O-N 3.08Å; I475-I478 VanDerWaalsContact O-N 3.14Å; M476-I478 PolarHBondContact O-N 3.03Å; I478-A481 PolarHBondContact O-N 3.38Å; I478-V482 WeakPolarHBondContact O-CG2 3.46Å; I478-V482 PolarHBondContact O-N 3.5Å
479G86.3Confident88.4Confident2 Ų29.2 Ų9.22%0.0215%0.048CC..Hα-helixtrans-59.4-52.8178.100000112.6D39 M476 A481 V482 D483D39-G479 WeakPolarHBondContact OD1-CA 3.37Å; M476-G479 PolarHBondContact O-N 2.94Å; G479-A481 VanDerWaalsContact C-N 3.31Å; G479-A481 PolarHBondContact O-N 3.1Å; G479-V482 WeakPolarHBondContact O-CB 3.44Å; G479-V482 PolarHBondContact O-N 2.61Å; G479-D483 PolarHBondContact O-N 2.72Å
480F85.7Confident88.2Confident54 Ų549.7 Ų9.724%0.2375%0.047CC..Hα-helixtrans-63.1-33.9178.1-72.5-45.6000113.8M476 V482 D483 L484 V546 M547M476-F480 HydrophobicContact CE-CD2 4.43Å; M476-F480 HydrophobicContact CE-CE2 3.92Å; M476-F480 HydrophobicContact CG-CD2 3.6Å; M476-F480 HydrophobicContact CG-CE2 3.37Å; M476-F480 HydrophobicContact CG-CZ 4.27Å; M476-F480 PolarHBondContact O-N 3.39Å; M476-F480 VanDerWaalsContact O-N 3.09Å; M476-F480 HydrophobicContact SD-CD2 4.3Å; M476-F480 HydrophobicContact SD-CE2 3.53Å; M476-F480 VanDerWaalsContact SD-CE2 3.53Å; M476-F480 HydrophobicContact SD-CZ 4.29Å; F480-V482 VanDerWaalsContact C-N 3.33Å; F480-D483 PolarHBondContact O-N 3.5Å; F480-L484 WeakPolarHBondContact O-CG 3.48Å; F480-L484 PolarHBondContact O-N 2.93Å; F480-V546 HydrophobicContact CB-CG1 4.1Å; F480-V546 HydrophobicContact CD2-CG1 4.37Å; F480-M547 HydrophobicContact CB-SD 4.47Å; F480-M547 HydrophobicContact CD2-SD 4.4Å; F480-M547 HydrophobicContact CG-SD 4.34Å
481A88Confident88Confident1 Ų110.3 Ų10.31%0.0085%0.053CC..Hα-helixtrans-65.6-37174.700000112M448 I451 S477 I478 G479 S485M448-A481 HydrophobicContact CG-CB 4.24Å; I451-A481 HydrophobicContact CB-CB 4.38Å; I451-A481 HydrophobicContact CD1-CB 3.66Å; I451-A481 HydrophobicContact CG2-CB 4.23Å; S477-A481 WeakPolarHBondContact O-CB 3.43Å; S477-A481 PolarHBondContact O-N 3.2Å; I478-A481 PolarHBondContact O-N 3.38Å; G479-A481 VanDerWaalsContact C-N 3.31Å; G479-A481 PolarHBondContact O-N 3.1Å; A481-S485 VanDerWaalsContact O-CB 3.24Å; A481-S485 WeakPolarHBondContact O-CB 3.13Å; A481-S485 PolarHBondContact O-N 2.81Å; A481-S485 PolarHBondContact O-OG 3Å
482V86.3Confident87.9Confident6 Ų610.3 Ų10.34%0.0365%0.053CC..Hα-helixtrans-61.4-51.4172.8-174.10000109.8T38 M427 M448 I478 G479 F480 L484 S485 A486T38-V482 HydrophobicContact CG2-CG1 4.39Å; M427-V482 HydrophobicContact CG-CG2 4.31Å; M427-V482 HydrophobicContact SD-CG2 4.14Å; M448-V482 HydrophobicContact CE-CB 3.65Å; M448-V482 HydrophobicContact CE-CG1 3.68Å; M448-V482 HydrophobicContact CE-CG2 3.33Å; M448-V482 HydrophobicContact SD-CG2 3.96Å; I478-V482 WeakPolarHBondContact O-CG2 3.46Å; I478-V482 PolarHBondContact O-N 3.5Å; G479-V482 WeakPolarHBondContact O-CB 3.44Å; G479-V482 PolarHBondContact O-N 2.61Å; F480-V482 VanDerWaalsContact C-N 3.33Å; V482-L484 PolarHBondContact O-N 3.32Å; V482-S485 PolarHBondContact O-N 2.79Å; V482-A486 HydrophobicContact CG1-CB 4.23Å; V482-A486 WeakPolarHBondContact O-CB 3.42Å; V482-A486 PolarHBondContact O-N 3.34Å
483D86.8Confident87.6Confident32 Ų3210.3 Ų10.317%0.1715%0.053CC..Hα-helixtrans-54.4-54.6-176.3-175.555.8000111.8G479 F480 S485 H487G479-D483 PolarHBondContact O-N 2.72Å; F480-D483 PolarHBondContact O-N 3.5Å; D483-S485 VanDerWaalsContact C-N 3.34Å; D483-S485 PolarHBondContact O-N 2.64Å; D483-H487 PolarHBondContact O-CD2 2.81Å; D483-H487 IonicContact OD1-CD2 2.65Å; D483-H487 IonicContact OD1-NE2 2.98Å; D483-H487 PolarHBondContact OD1-NE2 2.81Å
484L88.9Confident87.2Confident4 Ų413.7 Ų13.72%0.0218%0.076CC..Hα-helixtrans-65.2-35.4-178.3-59.3174.6000112.9F480 V482 V514 A518 M547 S554F480-L484 WeakPolarHBondContact O-CG 3.48Å; F480-L484 PolarHBondContact O-N 2.93Å; V482-L484 PolarHBondContact O-N 3.32Å; L484-V514 HydrophobicContact CB-CG1 4.26Å; L484-V514 HydrophobicContact CD2-CG1 3.59Å; L484-A518 HydrophobicContact CD2-CB 4.21Å; L484-M547 HydrophobicContact CD1-CE 4.25Å; L484-S554 WeakPolarHBondContact O-CB 3.34Å
485S88.7Confident86.9Confident0 Ų014 Ų140%08%0.079CC..Hα-helixtrans-86.5-37-174.2-57.10000113.3A481 V482 D483 S489A481-S485 VanDerWaalsContact O-CB 3.24Å; A481-S485 WeakPolarHBondContact O-CB 3.13Å; A481-S485 PolarHBondContact O-N 2.81Å; A481-S485 PolarHBondContact O-OG 3Å; V482-S485 PolarHBondContact O-N 2.79Å; D483-S485 VanDerWaalsContact C-N 3.34Å; D483-S485 PolarHBondContact O-N 2.64Å; S485-S489 VanDerWaalsContact O-CB 3.32Å; S485-S489 WeakPolarHBondContact O-CB 3.41Å; S485-S489 PolarHBondContact O-N 3.19Å; S485-S489 VanDerWaalsContact O-N 3.07Å; S485-S489 PolarHBondContact O-OG 2.95Å
486A86.3Confident86.5Confident7 Ų722.4 Ų22.46%0.05812%0.118CC..Hα-helixtrans-68.5-40.7-174.700000111.4T35 V482 S489 Y490T35-A486 HydrophobicContact CG2-CB 4.22Å; V482-A486 HydrophobicContact CG1-CB 4.23Å; V482-A486 WeakPolarHBondContact O-CB 3.42Å; V482-A486 PolarHBondContact O-N 3.34Å; A486-S489 PolarHBondContact O-N 3.16Å; A486-Y490 VanDerWaalsContact O-CB 3.28Å; A486-Y490 WeakPolarHBondContact O-CB 3.45Å; A486-Y490 PolarHBondContact O-N 3.08Å
487H87.3Confident86.2Confident4 Ų423.6 Ų23.62%0.01913%0.134CC..Hα-helixtrans-59.2-53.1177.7-75.3-57.1000112I3 D483 S489 Y490 G491 L510 V514I3-H487 HydrophobicContact CD1-CB 4.3Å; I3-H487 WeakPolarHBondContact CD1-CD2 3.33Å; I3-H487 VanDerWaalsContact CD1-CG 3.49Å; I3-H487 WeakPolarHBondContact CD1-NE2 3.35Å; D483-H487 PolarHBondContact O-CD2 2.81Å; D483-H487 IonicContact OD1-CD2 2.65Å; D483-H487 IonicContact OD1-NE2 2.98Å; D483-H487 PolarHBondContact OD1-NE2 2.81Å; H487-S489 VanDerWaalsContact C-N 3.29Å; H487-S489 PolarHBondContact O-N 2.79Å; H487-Y490 PolarHBondContact O-N 3.18Å; H487-G491 PolarHBondContact O-N 2.98Å; H487-L510 WeakPolarHBondContact O-CD1 3.39Å; H487-V514 HydrophobicContact CB-CG2 4.13Å
488I88.7Confident86Confident3 Ų327 Ų272%0.01516%0.155CC..Hα-helixtrans-63.6-36.6179.1-62.2-180000111.2Y492 S506 L507 V514 S554 P559I488-Y492 WeakPolarHBondContact O-CB 3.43Å; I488-Y492 PolarHBondContact O-N 3.16Å; I488-S506 PolarHBondContact O-OG 2.8Å; I488-L507 HydrophobicContact CD1-CD2 4.34Å; I488-V514 HydrophobicContact CD1-CG1 4.48Å; I488-V514 HydrophobicContact CG1-CG2 4.44Å; I488-S554 WeakPolarHBondContact CD1-O 3.42Å; I488-P559 HydrophobicContact CG2-CG 4.25Å
489S87.1Confident85.8Confident0 Ų028.3 Ų28.30%016%0.164CC..Hα-helixtrans-69.8-38.3177.8-61.30000113I444 S485 A486 H487 Y492 I493 L558I444-S489 VanDerWaalsContact CD1-CB 3.45Å; I444-S489 VanDerWaalsContact CG1-OG 3.25Å; I444-S489 WeakPolarHBondContact CG1-OG 3.34Å; S485-S489 VanDerWaalsContact O-CB 3.32Å; S485-S489 WeakPolarHBondContact O-CB 3.41Å; S485-S489 PolarHBondContact O-N 3.19Å; S485-S489 VanDerWaalsContact O-N 3.07Å; S485-S489 PolarHBondContact O-OG 2.95Å; A486-S489 PolarHBondContact O-N 3.16Å; H487-S489 VanDerWaalsContact C-N 3.29Å; H487-S489 PolarHBondContact O-N 2.79Å; S489-Y492 WeakPolarHBondContact O-CB 3.14Å; S489-Y492 PolarHBondContact O-N 3.05Å; S489-I493 WeakPolarHBondContact O-CG1 3.43Å; S489-I493 PolarHBondContact O-N 3.25Å; S489-L558 WeakPolarHBondContact OG-CD2 3.3Å
490Y83.6Confident85.8Confident50 Ų5030 Ų3020%0.19618%0.178CC..Hα-helixtrans-65.8-43.9175.7-177.4-99.1000111.3A31 A486 H487 Y492 I493 C494A31-Y490 HydrophobicContact CB-CD1 4.23Å; A486-Y490 VanDerWaalsContact O-CB 3.28Å; A486-Y490 WeakPolarHBondContact O-CB 3.45Å; A486-Y490 PolarHBondContact O-N 3.08Å; H487-Y490 PolarHBondContact O-N 3.18Å; Y490-Y492 VanDerWaalsContact C-N 3.32Å; Y490-Y492 PolarHBondContact O-N 3.33Å; Y490-I493 PolarHBondContact O-N 3.47Å; Y490-I493 VanDerWaalsContact O-N 3.14Å; Y490-C494 PolarHBondContact O-N 3.07Å; Y490-C494 PolarHBondContact O-SG 3.34Å
491G84.3Confident85.8Confident13 Ų1332.9 Ų32.913%0.13419%0.192CC..Hα-helixtrans-58.8-41.7172.900000112.5H487 I493 C494 A495 S506H487-G491 PolarHBondContact O-N 2.98Å; G491-I493 VanDerWaalsContact C-N 3.35Å; G491-I493 PolarHBondContact O-N 2.91Å; G491-C494 PolarHBondContact O-N 3.42Å; G491-A495 WeakPolarHBondContact O-CB 3.49Å; G491-A495 PolarHBondContact O-N 3.45Å; G491-S506 WeakPolarHBondContact CA-OG 3.23Å
492Y87.6Confident85.8Confident2 Ų233.8 Ų33.81%0.00820%0.195CC..Hα-helixtrans-61.2-40.4174.2178-89.4000112.7I488 S489 Y490 P499 R502 A503 S506 L562 L566I488-Y492 WeakPolarHBondContact O-CB 3.43Å; I488-Y492 PolarHBondContact O-N 3.16Å; S489-Y492 WeakPolarHBondContact O-CB 3.14Å; S489-Y492 PolarHBondContact O-N 3.05Å; Y490-Y492 VanDerWaalsContact C-N 3.32Å; Y490-Y492 PolarHBondContact O-N 3.33Å; Y492-P499 WeakPolarHBondContact CE2-O 3.31Å; Y492-R502 HydrophobicContact CD2-CB 3.83Å; Y492-R502 HydrophobicContact CE2-CB 3.69Å; Y492-R502 PolarHBondContact O-NE 3.27Å; Y492-R502 PolarHBondContact O-NH2 2.97Å; Y492-A503 HydrophobicContact CD2-CB 3.85Å; Y492-A503 HydrophobicContact CE2-CB 3.95Å; Y492-S506 PolarHBondContact N-OG 3.02Å; Y492-L562 HydrophobicContact CD1-CD1 4.27Å; Y492-L562 HydrophobicContact CD2-CB 4.44Å; Y492-L562 HydrophobicContact CD2-CD1 4.41Å; Y492-L562 HydrophobicContact CE1-CB 4.43Å; Y492-L562 HydrophobicContact CE2-CB 4.23Å; Y492-L562 HydrophobicContact CG-CD1 4.04Å; Y492-L566 HydrophobicContact CE1-CB 4.46Å; Y492-L566 HydrophobicContact CE1-CD2 4.37Å; Y492-L566 PolarHBondContact OH-O 3.48Å; Y492-L566 VanDerWaalsContact OH-O 3.14Å
493I84.4Confident85.9Confident18 Ų1833.6 Ų33.69%0.09219%0.194CC..Hα-helixtrans-64.5-42.8177.5-71166.4000111I435 N437 C440 S489 Y490 G491 R502I435-I493 HydrophobicContact CG2-CD1 3.5Å; I435-I493 VanDerWaalsContact CG2-CD1 3.5Å; N437-I493 HydrophobicContact CB-CD1 4.43Å; C440-I493 HydrophobicContact CB-CD1 3.8Å; C440-I493 HydrophobicContact CB-CG1 4.34Å; C440-I493 WeakPolarHBondContact SG-CD1 3.46Å; S489-I493 WeakPolarHBondContact O-CG1 3.43Å; S489-I493 PolarHBondContact O-N 3.25Å; Y490-I493 PolarHBondContact O-N 3.47Å; Y490-I493 VanDerWaalsContact O-N 3.14Å; G491-I493 VanDerWaalsContact C-N 3.35Å; G491-I493 PolarHBondContact O-N 2.91Å; I493-R502 PolarHBondContact O-NH2 3.04Å
494C81.4Confident86Confident71 Ų7133 Ų3348%0.4819%0.193SC..Hα-helixtrans-74.8-28.7-177.3-60.80000113.1Y490 G491Y490-C494 PolarHBondContact O-N 3.07Å; Y490-C494 PolarHBondContact O-SG 3.34Å; G491-C494 PolarHBondContact O-N 3.42Å
495A84.7Confident85.9Confident8 Ų837.3 Ų37.37%0.06621%0.212CC..  trans-65142.7177.900000112.6G491 R502 H505G491-A495 WeakPolarHBondContact O-CB 3.49Å; G491-A495 PolarHBondContact O-N 3.45Å; A495-R502 HydrophobicContact CB-CB 3.9Å; A495-R502 HydrophobicContact CB-CG 4.04Å; A495-R502 WeakPolarHBondContact O-CG 3.43Å; A495-R502 PolarHBondContact O-NE 3.46Å; A495-H505 HydrophobicContact CB-CB 4.17Å
496Q81Confident85.9Confident179 Ų17937.3 Ų37.384%0.83621%0.213SC*.  trans-101160.5174.5-59.6-17515.400111.6
497G83.2Confident86Confident41 Ų4137 Ų3742%0.42321%0.21SC..SBendtrans107.3-162.1177.100000114.5R502G497-R502 WeakPolarHBondContact O-CD 3.1Å
498T86.3Confident85.9Confident72 Ų7238.8 Ų38.844%0.44222%0.218SC..SBendtrans-65.6155.8177.962.50000111.3A500 Q501 R502T498-A500 PolarHBondContact O-N 3.08Å; T498-A500 VanDerWaalsContact O-N 3.12Å; T498-Q501 WeakPolarHBondContact O-CB 2.97Å; T498-Q501 PolarHBondContact O-N 2.99Å; T498-Q501 WeakPolarHBondContact OG1-CB 3.48Å; T498-Q501 VanDerWaalsContact OG1-CD 3.23Å; T498-Q501 VanDerWaalsContact OG1-CG 3.23Å; T498-Q501 WeakPolarHBondContact OG1-CG 3.31Å; T498-Q501 PolarHBondContact OG1-N 3.4Å; T498-Q501 PolarHBondContact OG1-OE1 3.4Å; T498-R502 WeakPolarHBondContact O-CG 3.23Å; T498-R502 PolarHBondContact O-N 3.45Å
499P85.2Confident85.6Confident28 Ų2840 Ų4018%0.18223%0.226CC..Hα-helixtrans-51-39.8178.3-27.733.6000113.6Y492 A503 T563 P567Y492-P499 WeakPolarHBondContact CE2-O 3.31Å; P499-A503 WeakPolarHBondContact O-CB 3.42Å; P499-A503 PolarHBondContact O-N 2.72Å; P499-T563 WeakPolarHBondContact O-CG2 3.36Å; P499-P567 HydrophobicContact CG-CB 4.48Å; P499-P567 VanDerWaalsContact CG-O 3.31Å; P499-P567 WeakPolarHBondContact CG-O 3.39Å
500A86.1Confident85.7Confident37 Ų3741 Ų4131%0.30623%0.231SC..Hα-helixtrans-68.6-41.4176.900000112.5F202 T498 S504F202-A500 HydrophobicContact CB-CB 4.26Å; F202-A500 HydrophobicContact CD2-CB 4.38Å; F202-A500 HydrophobicContact CG-CB 4.24Å; T498-A500 PolarHBondContact O-N 3.08Å; T498-A500 VanDerWaalsContact O-N 3.12Å; A500-S504 VanDerWaalsContact O-CB 3.28Å; A500-S504 WeakPolarHBondContact O-CB 3.49Å; A500-S504 PolarHBondContact O-N 2.88Å
501Q86.5Confident85.9Confident115 Ų11538.6 Ų38.654%0.53722%0.221SC..Hα-helixtrans-64.2-41.7174.8-75.4165-31.300111.5T498 S504 H505T498-Q501 WeakPolarHBondContact O-CB 2.97Å; T498-Q501 PolarHBondContact O-N 2.99Å; T498-Q501 WeakPolarHBondContact OG1-CB 3.48Å; T498-Q501 VanDerWaalsContact OG1-CD 3.23Å; T498-Q501 VanDerWaalsContact OG1-CG 3.23Å; T498-Q501 WeakPolarHBondContact OG1-CG 3.31Å; T498-Q501 PolarHBondContact OG1-N 3.4Å; T498-Q501 PolarHBondContact OG1-OE1 3.4Å; Q501-S504 PolarHBondContact O-N 2.58Å; Q501-H505 WeakPolarHBondContact O-CB 3.34Å; Q501-H505 PolarHBondContact O-N 2.77Å
502R88.3Confident86.2Confident19 Ų1940.6 Ų40.67%0.07223%0.226CC..Hα-helixtrans-61.5-46.5177.5-67.2175.867.4-169.35.5112.2Y492 I493 A495 G497 T498 H505 S506Y492-R502 HydrophobicContact CD2-CB 3.83Å; Y492-R502 HydrophobicContact CE2-CB 3.69Å; Y492-R502 PolarHBondContact O-NE 3.27Å; Y492-R502 PolarHBondContact O-NH2 2.97Å; I493-R502 PolarHBondContact O-NH2 3.04Å; A495-R502 HydrophobicContact CB-CB 3.9Å; A495-R502 HydrophobicContact CB-CG 4.04Å; A495-R502 WeakPolarHBondContact O-CG 3.43Å; A495-R502 PolarHBondContact O-NE 3.46Å; G497-R502 WeakPolarHBondContact O-CD 3.1Å; T498-R502 WeakPolarHBondContact O-CG 3.23Å; T498-R502 PolarHBondContact O-N 3.45Å; R502-H505 PolarHBondContact O-N 2.93Å; R502-S506 WeakPolarHBondContact O-CB 3.43Å; R502-S506 PolarHBondContact O-N 3.21Å
503A88.4Confident86.3Confident2 Ų240.7 Ų40.72%0.01723%0.228CC..Hα-helixtrans-67.1-38.6176.500000112.2F202 Y492 P499 S506 L507 P559 T563F202-A503 HydrophobicContact CE1-CB 3.74Å; F202-A503 HydrophobicContact CE2-CB 4.08Å; F202-A503 HydrophobicContact CZ-CB 3.3Å; Y492-A503 HydrophobicContact CD2-CB 3.85Å; Y492-A503 HydrophobicContact CE2-CB 3.95Å; P499-A503 WeakPolarHBondContact O-CB 3.42Å; P499-A503 PolarHBondContact O-N 2.72Å; A503-S506 PolarHBondContact O-N 2.91Å; A503-L507 WeakPolarHBondContact O-CB 3.35Å; A503-L507 WeakPolarHBondContact O-CG 3.38Å; A503-L507 PolarHBondContact O-N 3.15Å; A503-P559 HydrophobicContact CB-CB 4.49Å; A503-T563 HydrophobicContact CB-CG2 3.6Å
504S87.7Confident86.6Confident21 Ų2140 Ų4015%0.14722%0.224CC..Hα-helixtrans-63.8-44.5174.7-168.60000112.1A500 Q501 L507 Q508A500-S504 VanDerWaalsContact O-CB 3.28Å; A500-S504 WeakPolarHBondContact O-CB 3.49Å; A500-S504 PolarHBondContact O-N 2.88Å; Q501-S504 PolarHBondContact O-N 2.58Å; S504-L507 PolarHBondContact O-N 3.44Å; S504-Q508 WeakPolarHBondContact O-CB 3.43Å; S504-Q508 PolarHBondContact O-N 3.48Å
505H86.6Confident87.1Confident93 Ų9339.1 Ų39.143%0.43121%0.214SC..Hα-helixtrans-64.9-43.5178.5-177.464.3000111A495 Q501 R502 L507 Q508 V509A495-H505 HydrophobicContact CB-CB 4.17Å; Q501-H505 WeakPolarHBondContact O-CB 3.34Å; Q501-H505 PolarHBondContact O-N 2.77Å; R502-H505 PolarHBondContact O-N 2.93Å; H505-L507 VanDerWaalsContact C-N 3.33Å; H505-L507 PolarHBondContact O-N 3.4Å; H505-Q508 WeakPolarHBondContact O-CB 3.4Å; H505-Q508 PolarHBondContact O-N 2.93Å; H505-V509 WeakPolarHBondContact O-CG2 3.4Å; H505-V509 PolarHBondContact O-N 2.84Å; H505-V509 VanDerWaalsContact O-N 3.08Å
506S88.7Confident87.5Confident1 Ų141.5 Ų41.51%0.00723%0.226CC..Hα-helixtrans-61.2-39.7175.4-172.70000113.2I488 G491 Y492 R502 A503 L510I488-S506 PolarHBondContact O-OG 2.8Å; G491-S506 WeakPolarHBondContact CA-OG 3.23Å; Y492-S506 PolarHBondContact N-OG 3.02Å; R502-S506 WeakPolarHBondContact O-CB 3.43Å; R502-S506 PolarHBondContact O-N 3.21Å; A503-S506 PolarHBondContact O-N 2.91Å; S506-L510 WeakPolarHBondContact O-CB 3.3Å; S506-L510 PolarHBondContact O-N 2.74Å
507L88.6Confident87.9Confident0 Ų034.6 Ų34.60%020%0.197CC..Hα-helixtrans-71.1-32.3176.7-76.8168.3000112.2F193 Y197 L201 F202 I488 A503 S504 H505 G511 P559F193-L507 HydrophobicContact CD1-CB 4.46Å; Y197-L507 HydrophobicContact CD1-CD1 4.21Å; Y197-L507 HydrophobicContact CE1-CD1 4.03Å; L201-L507 HydrophobicContact CD2-CD1 3.89Å; F202-L507 HydrophobicContact CZ-CD1 4.14Å; I488-L507 HydrophobicContact CD1-CD2 4.34Å; A503-L507 WeakPolarHBondContact O-CB 3.35Å; A503-L507 WeakPolarHBondContact O-CG 3.38Å; A503-L507 PolarHBondContact O-N 3.15Å; S504-L507 PolarHBondContact O-N 3.44Å; H505-L507 VanDerWaalsContact C-N 3.33Å; H505-L507 PolarHBondContact O-N 3.4Å; L507-G511 VanDerWaalsContact O-CA 3.24Å; L507-G511 WeakPolarHBondContact O-CA 3.44Å; L507-G511 PolarHBondContact O-N 3.36Å; L507-P559 HydrophobicContact CD1-CB 4.1Å; L507-P559 HydrophobicContact CD1-CG 4.16Å; L507-P559 HydrophobicContact CD2-CG 4.17Å; L507-P559 HydrophobicContact CG-CG 4.38Å
508Q85.7Confident88.4Confident42 Ų4232.6 Ų32.620%0.19618%0.177CC..Hα-helixtrans-63.9-45176.3179.5179.3-4.200111.7Q194 S504 H505Q194-Q508 HydrophobicContact CB-CB 4.48Å; Q194-Q508 HydrophobicContact CB-CG 4.17Å; S504-Q508 WeakPolarHBondContact O-CB 3.43Å; S504-Q508 PolarHBondContact O-N 3.48Å; H505-Q508 WeakPolarHBondContact O-CB 3.4Å; H505-Q508 PolarHBondContact O-N 2.93Å
509V83.2Confident88.7Confident28 Ų2832.9 Ų32.917%0.1718%0.175CC..Hα-helixtrans-79.9-47.3-178.1173.50000111.6E10 H505E10-V509 WeakPolarHBondContact OE1-CG1 3.29Å; E10-V509 WeakPolarHBondContact OE1-CG2 3.24Å; E10-V509 WeakPolarHBondContact OE2-CG1 3.49Å; H505-V509 WeakPolarHBondContact O-CG2 3.4Å; H505-V509 PolarHBondContact O-N 2.84Å; H505-V509 VanDerWaalsContact O-N 3.08Å
510L88Confident89.1Confident20 Ų2033.6 Ų33.611%0.10518%0.184CC..Hα-helixtrans-108.5-14.1-168-59.9174.2000114.7I3 H487 S506 P513 V514I3-L510 HydrophobicContact CG2-CD2 4.12Å; H487-L510 WeakPolarHBondContact O-CD1 3.39Å; S506-L510 WeakPolarHBondContact O-CB 3.3Å; S506-L510 PolarHBondContact O-N 2.74Å; L510-P513 WeakPolarHBondContact O-CD 3.4Å; L510-V514 WeakPolarHBondContact O-CB 3.36Å; L510-V514 WeakPolarHBondContact O-CG2 3.49Å; L510-V514 PolarHBondContact O-N 3.15Å; L510-V514 VanDerWaalsContact O-N 3.16Å
511G88.8Confident89.4Confident0 Ų033.8 Ų33.80%018%0.181CC..Hα-helixtrans-61.9-50-176.400000112.5L507 V514 L515 H555L507-G511 VanDerWaalsContact O-CA 3.24Å; L507-G511 WeakPolarHBondContact O-CA 3.44Å; L507-G511 PolarHBondContact O-N 3.36Å; G511-V514 PolarHBondContact O-N 2.87Å; G511-L515 WeakPolarHBondContact O-CB 3.1Å; G511-L515 PolarHBondContact O-N 2.9Å; G511-H555 PolarHBondContact O-NE2 3.14Å
512F89.1Confident89.7Confident55 Ų5529.7 Ų29.724%0.24116%0.162CC..Hα-helixtrans-65.7-46.9-179-175.6-103.4000113.8T189 F193 V514 L515 L516T189-F512 HydrophobicContact CG2-CB 4.41Å; T189-F512 HydrophobicContact CG2-CD1 3.89Å; T189-F512 HydrophobicContact CG2-CD2 3.56Å; T189-F512 HydrophobicContact CG2-CE1 3.98Å; T189-F512 HydrophobicContact CG2-CE2 3.65Å; T189-F512 HydrophobicContact CG2-CG 3.68Å; T189-F512 HydrophobicContact CG2-CZ 3.87Å; F193-F512 HydrophobicContact CD2-CB 4.21Å; F193-F512 HydrophobicContact CE2-CB 3.73Å; F193-F512 HydrophobicContact CE2-CD2 4.33Å; F512-V514 VanDerWaalsContact C-N 3.33Å; F512-V514 PolarHBondContact O-N 3.49Å; F512-L515 PolarHBondContact O-N 3.28Å; F512-L516 HydrophobicContact CE1-CD2 4.34Å; F512-L516 WeakPolarHBondContact O-CB 3.33Å; F512-L516 PolarHBondContact O-N 3.11Å
513P89.9Confident90Very high5 Ų534.6 Ų34.63%0.03219%0.19CC..Hα-helixtrans-58.8-40.5175.7-2735.4000113.8F2 I3 S6 L510 L516 S517F2-P513 HydrophobicContact CB-CB 4.38Å; I3-P513 HydrophobicContact CG1-CB 3.87Å; S6-P513 VanDerWaalsContact CB-CG 3.41Å; S6-P513 VanDerWaalsContact OG-CG 3.25Å; S6-P513 WeakPolarHBondContact OG-CG 3.47Å; L510-P513 WeakPolarHBondContact O-CD 3.4Å; P513-L516 PolarHBondContact O-N 3.47Å; P513-S517 WeakPolarHBondContact O-CB 3.13Å; P513-S517 PolarHBondContact O-N 3.49Å
514V91.5Very high90.1Very high3 Ų337 Ų372%0.01821%0.214CC..Hα-helixtrans-67.6-42.1177.6173.90000110.6I3 L484 H487 I488 L510 G511 F512 L516 S517 A518I3-V514 HydrophobicContact CD1-CG2 4.48Å; L484-V514 HydrophobicContact CB-CG1 4.26Å; L484-V514 HydrophobicContact CD2-CG1 3.59Å; H487-V514 HydrophobicContact CB-CG2 4.13Å; I488-V514 HydrophobicContact CD1-CG1 4.48Å; I488-V514 HydrophobicContact CG1-CG2 4.44Å; L510-V514 WeakPolarHBondContact O-CB 3.36Å; L510-V514 WeakPolarHBondContact O-CG2 3.49Å; L510-V514 PolarHBondContact O-N 3.15Å; L510-V514 VanDerWaalsContact O-N 3.16Å; G511-V514 PolarHBondContact O-N 2.87Å; F512-V514 VanDerWaalsContact C-N 3.33Å; F512-V514 PolarHBondContact O-N 3.49Å; V514-L516 PolarHBondContact O-N 3.32Å; V514-S517 WeakPolarHBondContact O-CB 3.44Å; V514-S517 PolarHBondContact O-N 2.83Å; V514-A518 PolarHBondContact O-N 3.29Å; V514-A518 VanDerWaalsContact O-N 3.08Å
515L92Very high90.3Very high52 Ų5237 Ų3727%0.27221%0.213SC..Hα-helixtrans-59.9-46.1174.3-177.864.1000111.9G511 F512 A518 L519 L551G511-L515 WeakPolarHBondContact O-CB 3.1Å; G511-L515 PolarHBondContact O-N 2.9Å; F512-L515 PolarHBondContact O-N 3.28Å; L515-A518 PolarHBondContact O-N 2.94Å; L515-L519 HydrophobicContact CD1-CD1 4.32Å; L515-L519 HydrophobicContact CD1-CG 4.4Å; L515-L519 HydrophobicContact CG-CD1 4.02Å; L515-L519 HydrophobicContact CG-CG 4.49Å; L515-L519 WeakPolarHBondContact O-CB 3.47Å; L515-L519 WeakPolarHBondContact O-CG 3.25Å; L515-L519 PolarHBondContact O-N 3.31Å; L515-L551 HydrophobicContact CD1-CD1 3.96Å; L515-L551 HydrophobicContact CD1-CD2 3.93Å
516L91.8Very high90.6Very high58 Ų5834.8 Ų34.830%0.30421%0.209SC..Hα-helixtrans-65.1-40.9179.5-176.259.1000111.9F2 F512 P513 V514 A518 L519 A520F2-L516 HydrophobicContact CD1-CD2 3.4Å; F2-L516 HydrophobicContact CD1-CG 3.97Å; F2-L516 HydrophobicContact CD2-CG 4.35Å; F2-L516 HydrophobicContact CE1-CD2 3.41Å; F2-L516 VanDerWaalsContact CE1-CD2 3.41Å; F2-L516 HydrophobicContact CE1-CG 3.81Å; F2-L516 HydrophobicContact CE2-CG 4.2Å; F2-L516 HydrophobicContact CG-CD2 4.05Å; F2-L516 HydrophobicContact CG-CG 4.25Å; F2-L516 HydrophobicContact CZ-CD2 4.06Å; F2-L516 HydrophobicContact CZ-CG 3.93Å; F512-L516 HydrophobicContact CE1-CD2 4.34Å; F512-L516 WeakPolarHBondContact O-CB 3.33Å; F512-L516 PolarHBondContact O-N 3.11Å; P513-L516 PolarHBondContact O-N 3.47Å; V514-L516 PolarHBondContact O-N 3.32Å; L516-A518 VanDerWaalsContact C-N 3.32Å; L516-A518 PolarHBondContact O-N 3.41Å; L516-L519 PolarHBondContact O-N 3.07Å; L516-A520 WeakPolarHBondContact O-CB 3.17Å; L516-A520 PolarHBondContact O-N 2.94Å
517S90.9Very high90.9Very high34 Ų3439.9 Ų39.924%0.23824%0.239CC..Hα-helixtrans-55-49.5173.1-173.70000110.9P513 V514 A520 T521P513-S517 WeakPolarHBondContact O-CB 3.13Å; P513-S517 PolarHBondContact O-N 3.49Å; V514-S517 WeakPolarHBondContact O-CB 3.44Å; V514-S517 PolarHBondContact O-N 2.83Å; S517-A520 PolarHBondContact O-N 2.85Å; S517-T521 PolarHBondContact O-N 2.83Å; S517-T521 VanDerWaalsContact O-N 3.12Å; S517-T521 PolarHBondContact O-OG1 3.05Å
518A92.3Very high91Very high0 Ų042.8 Ų42.80%025%0.254CS..Hα-helixtrans-68.9-38.4-178.500000113.6L484 V514 L515 L516 A520 T521 L522 M547 L551L484-A518 HydrophobicContact CD2-CB 4.21Å; V514-A518 PolarHBondContact O-N 3.29Å; V514-A518 VanDerWaalsContact O-N 3.08Å; L515-A518 PolarHBondContact O-N 2.94Å; L516-A518 VanDerWaalsContact C-N 3.32Å; L516-A518 PolarHBondContact O-N 3.41Å; A518-A520 VanDerWaalsContact C-N 3.34Å; A518-T521 PolarHBondContact O-N 2.95Å; A518-L522 WeakPolarHBondContact O-CB 3.25Å; A518-L522 WeakPolarHBondContact O-CG 3.37Å; A518-L522 PolarHBondContact O-N 2.82Å; A518-M547 VanDerWaalsContact CA-CE 3.41Å; A518-M547 HydrophobicContact CB-CE 3.51Å; A518-L551 HydrophobicContact CB-CD1 3.52Å; A518-L551 HydrophobicContact CB-CD2 3.48Å; A518-L551 VanDerWaalsContact CB-CD2 3.48Å; A518-L551 HydrophobicContact CB-CG 3.44Å; A518-L551 VanDerWaalsContact CB-CG 3.44Å
519L92.6Very high91.3Very high78 Ų7843.6 Ų43.641%0.40827%0.265SS..Hα-helixtrans-65-37.8174.5-72.2174.1000111.8L515 L516 L522 L523L515-L519 HydrophobicContact CD1-CD1 4.32Å; L515-L519 HydrophobicContact CD1-CG 4.4Å; L515-L519 HydrophobicContact CG-CD1 4.02Å; L515-L519 HydrophobicContact CG-CG 4.49Å; L515-L519 WeakPolarHBondContact O-CB 3.47Å; L515-L519 WeakPolarHBondContact O-CG 3.25Å; L515-L519 PolarHBondContact O-N 3.31Å; L516-L519 PolarHBondContact O-N 3.07Å; L519-L522 HydrophobicContact CD2-CD1 4.35Å; L519-L522 PolarHBondContact O-N 3.12Å; L519-L523 WeakPolarHBondContact O-CB 3.24Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.22Å; L519-L523 PolarHBondContact O-N 3.05Å
520A93.8Very high91.8Very high43 Ų4346.1 Ų46.136%0.35529%0.289SS..Hα-helixtrans-62.4-44.4175.100000111.5F2 L516 S517 A518 L523 G524F2-A520 HydrophobicContact CE2-CB 4.11Å; L516-A520 WeakPolarHBondContact O-CB 3.17Å; L516-A520 PolarHBondContact O-N 2.94Å; S517-A520 PolarHBondContact O-N 2.85Å; A518-A520 VanDerWaalsContact C-N 3.34Å; A520-L523 PolarHBondContact O-N 3.14Å; A520-G524 PolarHBondContact O-N 3.38Å
521T92.3Very high91.8Very high40 Ų4046.5 Ų46.525%0.24530%0.295CS..Hα-helixtrans-62.7-43.8174-56.90000111.5S517 A518 L523 G524 V525 M547S517-T521 PolarHBondContact O-N 2.83Å; S517-T521 VanDerWaalsContact O-N 3.12Å; S517-T521 PolarHBondContact O-OG1 3.05Å; A518-T521 PolarHBondContact O-N 2.95Å; T521-L523 VanDerWaalsContact C-N 3.35Å; T521-L523 PolarHBondContact O-N 3.3Å; T521-G524 PolarHBondContact O-N 3.34Å; T521-V525 HydrophobicContact CG2-CG2 4.24Å; T521-V525 VanDerWaalsContact O-CG2 3.24Å; T521-V525 WeakPolarHBondContact O-CG2 3.33Å; T521-V525 PolarHBondContact O-N 2.81Å; T521-M547 HydrophobicContact CG2-CE 4.24Å; T521-M547 HydrophobicContact CG2-CG 4Å; T521-M547 HydrophobicContact CG2-SD 3.96Å
522L93.4Very high91.8Very high29 Ų2953.1 Ų53.115%0.15232%0.323CS..Hα-helixtrans-59.6-44.1176.3-77.8171.6000112A518 L519 S526 F544 M547 V548A518-L522 WeakPolarHBondContact O-CB 3.25Å; A518-L522 WeakPolarHBondContact O-CG 3.37Å; A518-L522 PolarHBondContact O-N 2.82Å; L519-L522 HydrophobicContact CD2-CD1 4.35Å; L519-L522 PolarHBondContact O-N 3.12Å; L522-S526 VanDerWaalsContact O-CB 3.29Å; L522-S526 WeakPolarHBondContact O-CB 3.41Å; L522-S526 PolarHBondContact O-N 2.86Å; L522-F544 HydrophobicContact CD2-CB 4.38Å; L522-F544 HydrophobicContact CD2-CD2 3.5Å; L522-F544 HydrophobicContact CD2-CE2 4.02Å; L522-F544 HydrophobicContact CD2-CG 4.15Å; L522-M547 HydrophobicContact CD1-CB 4.29Å; L522-M547 HydrophobicContact CD2-CB 3.74Å; L522-M547 HydrophobicContact CD2-CG 4.29Å; L522-M547 HydrophobicContact CG-CB 3.81Å; L522-M547 HydrophobicContact CG-CG 4.34Å; L522-V548 HydrophobicContact CD1-CG2 4.49Å
523L93.8Very high91.9Very high123 Ų12351.9 Ų51.964%0.64432%0.321SS*.Hα-helixtrans-64.2-44.2176.2-73172.9000111.7L519 A520 T521 V525 S526L519-L523 WeakPolarHBondContact O-CB 3.24Å; L519-L523 VanDerWaalsContact O-CG 3.31Å; L519-L523 WeakPolarHBondContact O-CG 3.22Å; L519-L523 PolarHBondContact O-N 3.05Å; A520-L523 PolarHBondContact O-N 3.14Å; T521-L523 VanDerWaalsContact C-N 3.35Å; T521-L523 PolarHBondContact O-N 3.3Å; L523-V525 PolarHBondContact O-N 2.9Å; L523-S526 WeakPolarHBondContact O-CB 3.12Å; L523-S526 PolarHBondContact O-N 2.87Å; L523-S526 PolarHBondContact O-OG 3.18Å
524G92.3Very high91.8Very high52 Ų5253.6 Ų53.654%0.53633%0.331SS..Hα-helixtrans-60.7-45177.800000112.9A520 T521 S526A520-G524 PolarHBondContact O-N 3.38Å; T521-G524 PolarHBondContact O-N 3.34Å; G524-S526 VanDerWaalsContact C-N 3.35Å
525V91.9Very high91.7Very high21 Ų2155.1 Ų55.113%0.12734%0.339CS..Hα-helixtrans-76.9-24.1-179.7-1750000111.1T521 L523 V527 L528 F540 V543T521-V525 HydrophobicContact CG2-CG2 4.24Å; T521-V525 VanDerWaalsContact O-CG2 3.24Å; T521-V525 WeakPolarHBondContact O-CG2 3.33Å; T521-V525 PolarHBondContact O-N 2.81Å; L523-V525 PolarHBondContact O-N 2.9Å; V525-V527 PolarHBondContact O-N 2.93Å; V525-V527 VanDerWaalsContact O-N 3.1Å; V525-L528 HydrophobicContact CG1-CD1 4.08Å; V525-L528 VanDerWaalsContact O-CB 3.24Å; V525-L528 WeakPolarHBondContact O-CB 3.27Å; V525-L528 PolarHBondContact O-N 2.78Å; V525-F540 HydrophobicContact CG1-CB 4.34Å; V525-F540 HydrophobicContact CG1-CD2 3.93Å; V525-F540 WeakPolarHBondContact O-CD2 3.23Å; V525-V543 HydrophobicContact CB-CG1 4.45Å; V525-V543 HydrophobicContact CG1-CB 4.03Å; V525-V543 HydrophobicContact CG1-CG1 4.14Å; V525-V543 HydrophobicContact CG2-CG1 3.87Å
526S92.4Very high91.6Very high47 Ų4755.6 Ų55.633%0.32934%0.341SS..Hα-helixtrans-56.7-29.4178.776.20000113.5L522 L523 G524 L528 S529L522-S526 VanDerWaalsContact O-CB 3.29Å; L522-S526 WeakPolarHBondContact O-CB 3.41Å; L522-S526 PolarHBondContact O-N 2.86Å; L523-S526 WeakPolarHBondContact O-CB 3.12Å; L523-S526 PolarHBondContact O-N 2.87Å; L523-S526 PolarHBondContact O-OG 3.18Å; G524-S526 VanDerWaalsContact C-N 3.35Å; S526-L528 PolarHBondContact O-N 3.45Å; S526-S529 VanDerWaalsContact O-CB 3.28Å; S526-S529 WeakPolarHBondContact O-CB 2.98Å; S526-S529 PolarHBondContact O-N 3.4Å; S526-S529 PolarHBondContact O-OG 3.06Å
527V93.8Very high91.5Very high107 Ų10754.6 Ų54.665%0.64834%0.338SS*.G310 helixtrans-58.8-33.2175-178.80000111.6V525 S529 A530V525-V527 PolarHBondContact O-N 2.93Å; V525-V527 VanDerWaalsContact O-N 3.1Å; V527-S529 VanDerWaalsContact C-N 3.25Å; V527-S529 PolarHBondContact O-N 3.29Å; V527-A530 PolarHBondContact O-N 3.02Å
528L92.1Very high91.5Very high61 Ų6154.1 Ų54.132%0.31933%0.334SS..G310 helixtrans-70.5-20.4178.8-57.1-178.9000112.8V525 S526 A530 A531 I536 F539 F540V525-L528 HydrophobicContact CG1-CD1 4.08Å; V525-L528 VanDerWaalsContact O-CB 3.24Å; V525-L528 WeakPolarHBondContact O-CB 3.27Å; V525-L528 PolarHBondContact O-N 2.78Å; S526-L528 PolarHBondContact O-N 3.45Å; L528-A530 PolarHBondContact O-N 2.73Å; L528-A531 VanDerWaalsContact O-CB 3.29Å; L528-A531 WeakPolarHBondContact O-CB 3.33Å; L528-A531 PolarHBondContact O-N 2.9Å; L528-A531 VanDerWaalsContact O-N 3.14Å; L528-I536 HydrophobicContact CB-CG2 3.84Å; L528-I536 HydrophobicContact CD2-CG2 4.14Å; L528-I536 HydrophobicContact CG-CG2 4.45Å; L528-F539 HydrophobicContact CD1-CD1 3.69Å; L528-F539 HydrophobicContact CD1-CE1 4Å; L528-F540 HydrophobicContact CB-CB 4.2Å
529S92.4Very high91.4Very high60 Ų6056.5 Ų56.542%0.4234%0.344SS..G310 helixtrans-65.7-24.6176.674.40000112.9S526 V527 A531S526-S529 VanDerWaalsContact O-CB 3.28Å; S526-S529 WeakPolarHBondContact O-CB 2.98Å; S526-S529 PolarHBondContact O-N 3.4Å; S526-S529 PolarHBondContact O-OG 3.06Å; V527-S529 VanDerWaalsContact C-N 3.25Å; V527-S529 PolarHBondContact O-N 3.29Å; S529-A531 VanDerWaalsContact C-N 3.26Å; S529-A531 PolarHBondContact O-N 2.86Å
530A91.7Very high91.5Very high81 Ų8154.4 Ų54.467%0.66933%0.331SS*.G310 helixtrans-77.7-11.117700000113.1V527 L528 K532V527-A530 PolarHBondContact O-N 3.02Å; L528-A530 PolarHBondContact O-N 2.73Å; A530-K532 PolarHBondContact O-N 3.12Å
531A89.8Confident91.5Very high28 Ų2854.7 Ų54.723%0.23133%0.325CS..  trans-70.6126.8179.100000110.7L528 S529 V533 I536 V537L528-A531 VanDerWaalsContact O-CB 3.29Å; L528-A531 WeakPolarHBondContact O-CB 3.33Å; L528-A531 PolarHBondContact O-N 2.9Å; L528-A531 VanDerWaalsContact O-N 3.14Å; S529-A531 VanDerWaalsContact C-N 3.26Å; S529-A531 PolarHBondContact O-N 2.86Å; A531-V533 PolarHBondContact O-N 3.33Å; A531-I536 HydrophobicContact CB-CB 3.86Å; A531-I536 HydrophobicContact CB-CD1 4.02Å; A531-I536 HydrophobicContact CB-CG2 3.53Å; A531-V537 WeakPolarHBondContact O-CG2 3.26Å
532K88.7Confident91.5Very high138 Ų13852.8 Ų52.860%0.631%0.313SS*.SBendtrans-81.724.8-179.9-67.5179.1-179.4176.90113.8H239 A240 A530H239-K532 VanDerWaalsContact CD2-CB 3.43Å; H239-K532 WeakPolarHBondContact CD2-CB 3.24Å; H239-K532 WeakPolarHBondContact NE2-CB 3.29Å; H239-K532 WeakPolarHBondContact NE2-CD 3.46Å; A240-K532 PolarHBondContact N-O 3.46Å; A530-K532 PolarHBondContact O-N 3.12Å
533V90.3Very high91.5Very high30 Ų3051.6 Ų51.618%0.18231%0.307CS..  trans-113.7116.5178.3-175.30000107.8A531 L535 I536 V537A531-V533 PolarHBondContact O-N 3.33Å; V533-L535 HydrophobicContact CG1-CB 3.81Å; V533-L535 PolarHBondContact O-N 3Å; V533-L535 VanDerWaalsContact O-N 3.1Å; V533-I536 HydrophobicContact CB-CB 4.49Å; V533-I536 HydrophobicContact CB-CD1 4.1Å; V533-I536 HydrophobicContact CB-CG1 4.2Å; V533-I536 HydrophobicContact CG1-CG1 4.5Å; V533-I536 HydrophobicContact CG2-CD1 4.34Å; V533-I536 PolarHBondContact O-N 3.19Å; V533-V537 PolarHBondContact O-N 2.74Å; V533-V537 VanDerWaalsContact O-N 3.17Å
534P88.1Confident91.5Very high40 Ų4049.3 Ų49.326%0.2629%0.292SS..Hα-helixtrans-53.7-34-177-27.535.2000113.6D236 V238 V537 T538D236-P534 HydrophobicContact CB-CB 4.14Å; V238-P534 WeakPolarHBondContact O-CD 3.4Å; P534-V537 PolarHBondContact O-N 2.93Å; P534-T538 WeakPolarHBondContact O-CB 3.39Å; P534-T538 PolarHBondContact O-N 3.23Å; P534-T538 PolarHBondContact O-OG1 3.24Å
535L88.4Confident91.7Very high35 Ų3547.7 Ų47.718%0.18327%0.271CS..Hα-helixtrans-53.5-51173.1-160.372000113.3L232 D236 L237 I469 V533 T538 F539L232-L535 HydrophobicContact CD1-CD1 3.89Å; D236-L535 PolarHBondContact O-N 2.83Å; L237-L535 HydrophobicContact CD2-CD1 3.95Å; L237-L535 HydrophobicContact CD2-CD2 3.88Å; I469-L535 HydrophobicContact CD1-CD1 3.2Å; I469-L535 HydrophobicContact CD1-CD2 3.7Å; I469-L535 HydrophobicContact CD1-CG 3.28Å; I469-L535 HydrophobicContact CG1-CD1 4.3Å; V533-L535 HydrophobicContact CG1-CB 3.81Å; V533-L535 PolarHBondContact O-N 3Å; V533-L535 VanDerWaalsContact O-N 3.1Å; L535-T538 WeakPolarHBondContact O-CB 3.33Å; L535-T538 PolarHBondContact O-N 3.3Å; L535-F539 PolarHBondContact O-N 2.89Å
536I90.6Very high91.8Very high62 Ų6246.8 Ų46.832%0.31827%0.265SS..Hα-helixtrans-71.3-38.6-177.8-61.6175.4000110.1L528 A531 V533 T538 F539 F540L528-I536 HydrophobicContact CB-CG2 3.84Å; L528-I536 HydrophobicContact CD2-CG2 4.14Å; L528-I536 HydrophobicContact CG-CG2 4.45Å; A531-I536 HydrophobicContact CB-CB 3.86Å; A531-I536 HydrophobicContact CB-CD1 4.02Å; A531-I536 HydrophobicContact CB-CG2 3.53Å; V533-I536 HydrophobicContact CB-CB 4.49Å; V533-I536 HydrophobicContact CB-CD1 4.1Å; V533-I536 HydrophobicContact CB-CG1 4.2Å; V533-I536 HydrophobicContact CG1-CG1 4.5Å; V533-I536 HydrophobicContact CG2-CD1 4.34Å; V533-I536 PolarHBondContact O-N 3.19Å; I536-T538 VanDerWaalsContact C-N 3.26Å; I536-T538 PolarHBondContact O-N 2.66Å; I536-F539 WeakPolarHBondContact O-CB 3.49Å; I536-F539 PolarHBondContact O-N 3.26Å; I536-F540 PolarHBondContact O-N 3.32Å
537V90.9Very high91.8Very high38 Ų3844.7 Ų44.723%0.2325%0.25CS..Hα-helixtrans-63.2-35175.2178.50000111.3A531 V533 P534 F540 K541A531-V537 WeakPolarHBondContact O-CG2 3.26Å; V533-V537 PolarHBondContact O-N 2.74Å; V533-V537 VanDerWaalsContact O-N 3.17Å; P534-V537 PolarHBondContact O-N 2.93Å; V537-F540 WeakPolarHBondContact O-CB 3.45Å; V537-F540 PolarHBondContact O-N 2.78Å; V537-K541 HydrophobicContact CG1-CD 4.42Å; V537-K541 HydrophobicContact CG1-CG 4.39Å; V537-K541 WeakPolarHBondContact O-CG 3.47Å; V537-K541 PolarHBondContact O-N 3.42Å
538T90.1Very high91.9Very high24 Ų2441.8 Ų41.815%0.14723%0.233CC..Hα-helixtrans-65.3-41.8175.9-62.40000111.7V464 P534 L535 I536 K541 T542V464-T538 HydrophobicContact CB-CG2 4.45Å; V464-T538 HydrophobicContact CG1-CG2 3.46Å; V464-T538 VanDerWaalsContact CG1-CG2 3.46Å; V464-T538 HydrophobicContact CG2-CG2 4.24Å; P534-T538 WeakPolarHBondContact O-CB 3.39Å; P534-T538 PolarHBondContact O-N 3.23Å; P534-T538 PolarHBondContact O-OG1 3.24Å; L535-T538 WeakPolarHBondContact O-CB 3.33Å; L535-T538 PolarHBondContact O-N 3.3Å; I536-T538 VanDerWaalsContact C-N 3.26Å; I536-T538 PolarHBondContact O-N 2.66Å; T538-K541 PolarHBondContact O-N 2.94Å; T538-T542 WeakPolarHBondContact O-CG2 3.31Å; T538-T542 PolarHBondContact O-N 2.95Å; T538-T542 PolarHBondContact O-OG1 3.08Å
539F91Very high92Very high50 Ų5039.5 Ų39.522%0.21922%0.221CC..Hα-helixtrans-59.6-48.4171.5-172.7-91.7000111I469 T473 M476 L528 L535 I536 K541 T542 V543I469-F539 HydrophobicContact CG2-CB 4.32Å; I469-F539 HydrophobicContact CG2-CD2 4.07Å; T473-F539 HydrophobicContact CG2-CD2 3.38Å; T473-F539 HydrophobicContact CG2-CE2 3.49Å; T473-F539 VanDerWaalsContact CG2-CE2 3.49Å; T473-F539 HydrophobicContact CG2-CG 4.27Å; T473-F539 HydrophobicContact CG2-CZ 4.44Å; M476-F539 HydrophobicContact CE-CE2 4.43Å; M476-F539 HydrophobicContact CE-CZ 4.17Å; L528-F539 HydrophobicContact CD1-CD1 3.69Å; L528-F539 HydrophobicContact CD1-CE1 4Å; L535-F539 PolarHBondContact O-N 2.89Å; I536-F539 WeakPolarHBondContact O-CB 3.49Å; I536-F539 PolarHBondContact O-N 3.26Å; F539-K541 PolarHBondContact O-N 3.25Å; F539-T542 PolarHBondContact O-N 3.28Å; F539-T542 PolarHBondContact O-OG1 3.36Å; F539-T542 VanDerWaalsContact O-OG1 3.06Å; F539-V543 HydrophobicContact CD1-CG2 4.17Å; F539-V543 HydrophobicContact CE1-CG2 3.87Å; F539-V543 HydrophobicContact CE2-CG2 4.4Å; F539-V543 HydrophobicContact CZ-CG2 3.99Å; F539-V543 WeakPolarHBondContact O-CG2 3.48Å; F539-V543 PolarHBondContact O-N 3.24Å
540F93.5Very high92.1Very high33 Ų3336.7 Ų36.715%0.14520%0.201CC..Hα-helixtrans-55.5-51.2174.4163.2-103.3000112.7V525 L528 I536 V537 T542 V543 F544V525-F540 HydrophobicContact CG1-CB 4.34Å; V525-F540 HydrophobicContact CG1-CD2 3.93Å; V525-F540 WeakPolarHBondContact O-CD2 3.23Å; L528-F540 HydrophobicContact CB-CB 4.2Å; I536-F540 PolarHBondContact O-N 3.32Å; V537-F540 WeakPolarHBondContact O-CB 3.45Å; V537-F540 PolarHBondContact O-N 2.78Å; F540-T542 VanDerWaalsContact C-N 3.35Å; F540-T542 PolarHBondContact O-N 3.13Å; F540-V543 PolarHBondContact O-N 2.81Å; F540-F544 HydrophobicContact CE2-CB 4.38Å; F540-F544 HydrophobicContact CE2-CD2 4.29Å; F540-F544 HydrophobicContact CZ-CB 4.47Å; F540-F544 HydrophobicContact CZ-CD2 4.18Å; F540-F544 WeakPolarHBondContact O-CB 3.42Å; F540-F544 PolarHBondContact O-N 2.99Å
541K93.8Very high92.2Very high50 Ų5033.9 Ų33.922%0.21718%0.175CC..Hα-helixtrans-57.7-46-178.7-77178.8174.1-1720112.2W462 V464 V537 T538 F539 L545W462-K541 HydrophobicContact CD2-CB 4.39Å; W462-K541 HydrophobicContact CD2-CD 4.15Å; W462-K541 HydrophobicContact CD2-CG 4.18Å; W462-K541 HydrophobicContact CE3-CB 4.11Å; W462-K541 HydrophobicContact CE3-CG 4.34Å; W462-K541 HydrophobicContact CG-CD 4.26Å; W462-K541 HydrophobicContact CH2-CG 4.33Å; W462-K541 HydrophobicContact CZ2-CG 4.18Å; W462-K541 HydrophobicContact CZ3-CB 4.17Å; W462-K541 HydrophobicContact CZ3-CG 4.4Å; W462-K541 WeakPolarHBondContact CZ3-O 3.43Å; W462-K541 PolarHBondContact O-NZ 3.09Å; V464-K541 HydrophobicContact CG2-CB 4.34Å; V464-K541 HydrophobicContact CG2-CD 3.76Å; V537-K541 HydrophobicContact CG1-CD 4.42Å; V537-K541 HydrophobicContact CG1-CG 4.39Å; V537-K541 WeakPolarHBondContact O-CG 3.47Å; V537-K541 PolarHBondContact O-N 3.42Å; T538-K541 PolarHBondContact O-N 2.94Å; F539-K541 PolarHBondContact O-N 3.25Å; K541-L545 WeakPolarHBondContact O-CB 3.41Å; K541-L545 PolarHBondContact O-N 2.82Å
542T93.1Very high92.4Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-69.2-44.3-178510000111.3M459 V464 T473 T538 F539 F540 F544 L545 V546M459-T542 HydrophobicContact CB-CG2 4.47Å; V464-T542 HydrophobicContact CG1-CG2 4.1Å; T473-T542 WeakPolarHBondContact CB-OG1 3.48Å; T473-T542 WeakPolarHBondContact CG2-OG1 3.33Å; T473-T542 VanDerWaalsContact OG1-CB 3.29Å; T473-T542 WeakPolarHBondContact OG1-CB 3.25Å; T473-T542 PolarHBondContact OG1-OG1 3.05Å; T538-T542 WeakPolarHBondContact O-CG2 3.31Å; T538-T542 PolarHBondContact O-N 2.95Å; T538-T542 PolarHBondContact O-OG1 3.08Å; F539-T542 PolarHBondContact O-N 3.28Å; F539-T542 PolarHBondContact O-OG1 3.36Å; F539-T542 VanDerWaalsContact O-OG1 3.06Å; F540-T542 VanDerWaalsContact C-N 3.35Å; F540-T542 PolarHBondContact O-N 3.13Å; T542-F544 PolarHBondContact O-N 3.33Å; T542-L545 WeakPolarHBondContact O-CB 3.18Å; T542-L545 PolarHBondContact O-N 3.11Å; T542-V546 VanDerWaalsContact O-CG2 3.29Å; T542-V546 WeakPolarHBondContact O-CG2 3.11Å; T542-V546 PolarHBondContact O-N 2.9Å
543V93.1Very high92.6Very high3 Ų329.3 Ų29.32%0.01815%0.153CC..Hα-helixtrans-66.2-39.4176.4-179.60000112.2T473 M476 V525 F539 F540 L545 V546 M547T473-V543 HydrophobicContact CG2-CG2 4.12Å; M476-V543 HydrophobicContact CE-CB 4.47Å; M476-V543 HydrophobicContact CE-CG1 4.44Å; M476-V543 HydrophobicContact CE-CG2 3.32Å; V525-V543 HydrophobicContact CB-CG1 4.45Å; V525-V543 HydrophobicContact CG1-CB 4.03Å; V525-V543 HydrophobicContact CG1-CG1 4.14Å; V525-V543 HydrophobicContact CG2-CG1 3.87Å; F539-V543 HydrophobicContact CD1-CG2 4.17Å; F539-V543 HydrophobicContact CE1-CG2 3.87Å; F539-V543 HydrophobicContact CE2-CG2 4.4Å; F539-V543 HydrophobicContact CZ-CG2 3.99Å; F539-V543 WeakPolarHBondContact O-CG2 3.48Å; F539-V543 PolarHBondContact O-N 3.24Å; F540-V543 PolarHBondContact O-N 2.81Å; V543-L545 VanDerWaalsContact C-N 3.29Å; V543-L545 PolarHBondContact O-N 3.44Å; V543-V546 WeakPolarHBondContact O-CB 3.21Å; V543-V546 PolarHBondContact O-N 3.33Å; V543-M547 HydrophobicContact CG1-CG 4.31Å; V543-M547 WeakPolarHBondContact O-CG 3.27Å; V543-M547 PolarHBondContact O-N 3.18Å
544F94.5Very high92.7Very high76 Ų7627.9 Ų27.933%0.33314%0.144SC..Hα-helixtrans-55.9-46.6173.1179.9-87.5000111.2W462 L522 F540 T542 M547 V548W462-F544 AromaticContact CH2-CD1 3.67Å; W462-F544 HydrophobicContact CH2-CD1 3.67Å; W462-F544 HydrophobicContact CH2-CE1 4.13Å; W462-F544 HydrophobicContact CH2-CG 4.39Å; W462-F544 AromaticContact CZ3-CD1 3.87Å; W462-F544 HydrophobicContact CZ3-CD1 3.87Å; L522-F544 HydrophobicContact CD2-CB 4.38Å; L522-F544 HydrophobicContact CD2-CD2 3.5Å; L522-F544 HydrophobicContact CD2-CE2 4.02Å; L522-F544 HydrophobicContact CD2-CG 4.15Å; F540-F544 HydrophobicContact CE2-CB 4.38Å; F540-F544 HydrophobicContact CE2-CD2 4.29Å; F540-F544 HydrophobicContact CZ-CB 4.47Å; F540-F544 HydrophobicContact CZ-CD2 4.18Å; F540-F544 WeakPolarHBondContact O-CB 3.42Å; F540-F544 PolarHBondContact O-N 2.99Å; T542-F544 PolarHBondContact O-N 3.33Å; F544-M547 PolarHBondContact O-N 3.39Å; F544-V548 HydrophobicContact CD1-CG2 4.12Å; F544-V548 HydrophobicContact CE1-CG2 3.73Å; F544-V548 HydrophobicContact CE2-CG2 4.26Å; F544-V548 HydrophobicContact CZ-CG2 3.8Å; F544-V548 WeakPolarHBondContact O-CB 3.44Å; F544-V548 WeakPolarHBondContact O-CG2 3.49Å; F544-V548 PolarHBondContact O-N 3.38Å
545L94.6Very high92.9Very high17 Ų1726.6 Ų26.69%0.08914%0.135CC..Hα-helixtrans-62.1-43.5177.4-172.968.8000111.9V455 Y458 M459 K541 T542 V543 M547 L549V455-L545 HydrophobicContact CB-CD2 4.28Å; V455-L545 HydrophobicContact CG1-CD2 4.14Å; V455-L545 HydrophobicContact CG2-CG 4.37Å; V455-L545 VanDerWaalsContact O-CD2 3.24Å; V455-L545 WeakPolarHBondContact O-CD2 3.29Å; Y458-L545 HydrophobicContact CG-CD1 4.33Å; M459-L545 HydrophobicContact CB-CD2 4.35Å; K541-L545 WeakPolarHBondContact O-CB 3.41Å; K541-L545 PolarHBondContact O-N 2.82Å; T542-L545 WeakPolarHBondContact O-CB 3.18Å; T542-L545 PolarHBondContact O-N 3.11Å; V543-L545 VanDerWaalsContact C-N 3.29Å; V543-L545 PolarHBondContact O-N 3.44Å; L545-M547 PolarHBondContact O-N 3.14Å; L545-L549 HydrophobicContact CD1-CD1 3.82Å; L545-L549 HydrophobicContact CD1-CG 4.07Å; L545-L549 HydrophobicContact CG-CD1 3.82Å; L545-L549 HydrophobicContact CG-CG 4.32Å; L545-L549 VanDerWaalsContact O-CB 3.25Å; L545-L549 WeakPolarHBondContact O-CB 3.41Å; L545-L549 WeakPolarHBondContact O-CG 3.39Å; L545-L549 PolarHBondContact O-N 3.29Å
546V94.5Very high93.1Very high2 Ų227.1 Ų27.11%0.01214%0.137CC..Hα-helixtrans-56.9-50.4175.4172.10000111.2V455 F480 T542 V543 G550V455-V546 HydrophobicContact CB-CG2 4.47Å; V455-V546 HydrophobicContact CG1-CG2 3.86Å; V455-V546 HydrophobicContact CG2-CB 4.39Å; V455-V546 HydrophobicContact CG2-CG2 3.73Å; F480-V546 HydrophobicContact CB-CG1 4.1Å; F480-V546 HydrophobicContact CD2-CG1 4.37Å; T542-V546 VanDerWaalsContact O-CG2 3.29Å; T542-V546 WeakPolarHBondContact O-CG2 3.11Å; T542-V546 PolarHBondContact O-N 2.9Å; V543-V546 WeakPolarHBondContact O-CB 3.21Å; V543-V546 PolarHBondContact O-N 3.33Å; V546-G550 WeakPolarHBondContact O-CA 3.45Å; V546-G550 PolarHBondContact O-N 2.64Å
547M94Very high93.2Very high3 Ų325.7 Ų25.72%0.01513%0.129CC..Hα-helixtrans-69.1-41.7-176.1-62.7-48.8-62.400112.3F480 L484 A518 T521 L522 V543 F544 L545 L551F480-M547 HydrophobicContact CB-SD 4.47Å; F480-M547 HydrophobicContact CD2-SD 4.4Å; F480-M547 HydrophobicContact CG-SD 4.34Å; L484-M547 HydrophobicContact CD1-CE 4.25Å; A518-M547 VanDerWaalsContact CA-CE 3.41Å; A518-M547 HydrophobicContact CB-CE 3.51Å; T521-M547 HydrophobicContact CG2-CE 4.24Å; T521-M547 HydrophobicContact CG2-CG 4Å; T521-M547 HydrophobicContact CG2-SD 3.96Å; L522-M547 HydrophobicContact CD1-CB 4.29Å; L522-M547 HydrophobicContact CD2-CB 3.74Å; L522-M547 HydrophobicContact CD2-CG 4.29Å; L522-M547 HydrophobicContact CG-CB 3.81Å; L522-M547 HydrophobicContact CG-CG 4.34Å; V543-M547 HydrophobicContact CG1-CG 4.31Å; V543-M547 WeakPolarHBondContact O-CG 3.27Å; V543-M547 PolarHBondContact O-N 3.18Å; F544-M547 PolarHBondContact O-N 3.39Å; L545-M547 PolarHBondContact O-N 3.14Å; M547-L551 WeakPolarHBondContact O-CB 3.26Å; M547-L551 WeakPolarHBondContact O-CG 3.47Å; M547-L551 PolarHBondContact O-N 3.15Å
548V94.4Very high93.2Very high47 Ų4724.1 Ų24.129%0.28512%0.119SC..Hα-helixtrans-66.2-48.1177.9171.50000110.9L522 F544 G550 L551 L552L522-V548 HydrophobicContact CD1-CG2 4.49Å; F544-V548 HydrophobicContact CD1-CG2 4.12Å; F544-V548 HydrophobicContact CE1-CG2 3.73Å; F544-V548 HydrophobicContact CE2-CG2 4.26Å; F544-V548 HydrophobicContact CZ-CG2 3.8Å; F544-V548 WeakPolarHBondContact O-CB 3.44Å; F544-V548 WeakPolarHBondContact O-CG2 3.49Å; F544-V548 PolarHBondContact O-N 3.38Å; V548-G550 VanDerWaalsContact C-N 3.34Å; V548-G550 PolarHBondContact O-N 2.74Å; V548-L551 PolarHBondContact O-N 3.42Å; V548-L552 HydrophobicContact CG1-CD1 4.14Å; V548-L552 WeakPolarHBondContact O-CG 3.38Å; V548-L552 PolarHBondContact O-N 2.81Å
549L95.3Very high93.2Very high12 Ų1223.1 Ų23.16%0.06311%0.113CC..Hα-helixtrans-66.2-38.6178.5-66.4-177.5000111.6Y217 I451 V455 Y458 L545 L552 H553Y217-L549 HydrophobicContact CD2-CD2 4.36Å; Y217-L549 HydrophobicContact CE2-CD1 4.21Å; Y217-L549 HydrophobicContact CE2-CD2 3.53Å; Y217-L549 HydrophobicContact CE2-CG 4.47Å; I451-L549 HydrophobicContact CG2-CB 4.41Å; V455-L549 HydrophobicContact CG2-CD1 4Å; Y458-L549 HydrophobicContact CD2-CD1 4.29Å; L545-L549 HydrophobicContact CD1-CD1 3.82Å; L545-L549 HydrophobicContact CD1-CG 4.07Å; L545-L549 HydrophobicContact CG-CD1 3.82Å; L545-L549 HydrophobicContact CG-CG 4.32Å; L545-L549 VanDerWaalsContact O-CB 3.25Å; L545-L549 WeakPolarHBondContact O-CB 3.41Å; L545-L549 WeakPolarHBondContact O-CG 3.39Å; L545-L549 PolarHBondContact O-N 3.29Å; L549-L552 HydrophobicContact CD2-CD1 4.35Å; L549-L552 PolarHBondContact O-N 3.17Å; L549-H553 WeakPolarHBondContact O-CB 3.48Å; L549-H553 PolarHBondContact O-N 3.18Å; L549-H553 PolarHBondContact O-ND1 2.9Å
550G94.1Very high93.2Very high1 Ų120.8 Ų20.81%0.0110%0.103CC..Hα-helixtrans-63-40.8174.300000113V546 V548 H553 S554V546-G550 WeakPolarHBondContact O-CA 3.45Å; V546-G550 PolarHBondContact O-N 2.64Å; V548-G550 VanDerWaalsContact C-N 3.34Å; V548-G550 PolarHBondContact O-N 2.74Å; G550-H553 PolarHBondContact O-N 2.67Å; G550-S554 VanDerWaalsContact O-CB 3.26Å; G550-S554 WeakPolarHBondContact O-CB 3.5Å; G550-S554 PolarHBondContact O-N 3.44Å; G550-S554 PolarHBondContact O-OG 3.35Å
551L93.7Very high93Very high22 Ų2220.3 Ų20.312%0.11511%0.105CC..Hα-helixtrans-64.4-45.7173.3-83.6178.6000112.5L515 A518 M547 V548 H553 S554 H555L515-L551 HydrophobicContact CD1-CD1 3.96Å; L515-L551 HydrophobicContact CD1-CD2 3.93Å; A518-L551 HydrophobicContact CB-CD1 3.52Å; A518-L551 HydrophobicContact CB-CD2 3.48Å; A518-L551 VanDerWaalsContact CB-CD2 3.48Å; A518-L551 HydrophobicContact CB-CG 3.44Å; A518-L551 VanDerWaalsContact CB-CG 3.44Å; M547-L551 WeakPolarHBondContact O-CB 3.26Å; M547-L551 WeakPolarHBondContact O-CG 3.47Å; M547-L551 PolarHBondContact O-N 3.15Å; V548-L551 PolarHBondContact O-N 3.42Å; L551-H553 VanDerWaalsContact C-N 3.31Å; L551-H553 PolarHBondContact O-N 3.19Å; L551-S554 WeakPolarHBondContact CA-OG 3.39Å; L551-S554 PolarHBondContact O-N 2.99Å; L551-S554 PolarHBondContact O-OG 2.88Å; L551-H555 WeakPolarHBondContact O-CB 3.44Å; L551-H555 PolarHBondContact O-N 3.21Å; L551-H555 PolarHBondContact O-ND1 3.14Å
552L94Very high92.7Very high70 Ų7018 Ų1837%0.36610%0.095SC..Hα-helixtrans-60.4-42.2176.9-70.6171.3000111.5V548 L549 I556 F557V548-L552 HydrophobicContact CG1-CD1 4.14Å; V548-L552 WeakPolarHBondContact O-CG 3.38Å; V548-L552 PolarHBondContact O-N 2.81Å; L549-L552 HydrophobicContact CD2-CD1 4.35Å; L549-L552 PolarHBondContact O-N 3.17Å; L552-I556 HydrophobicContact CD2-CD1 3.8Å; L552-I556 VanDerWaalsContact O-CB 3.31Å; L552-I556 WeakPolarHBondContact O-CB 3.31Å; L552-I556 PolarHBondContact O-N 3.37Å; L552-F557 HydrophobicContact CB-CE2 4.22Å; L552-F557 PolarHBondContact O-N 3.16Å
553H93.6Very high92.4Very high1 Ų118.6 Ų18.61%0.00510%0.099CC..Iπ-helixtrans-67.3-49.7177.3-7869.3000112.3Y214 Y217 S450 I451 L549 G550 L551 H555 F557 L558Y214-H553 AromaticContact CE2-NE2 3.79Å; Y217-H553 AromaticContact CE1-CE1 3.52Å; Y217-H553 AromaticContact CE1-NE2 3.74Å; Y217-H553 AromaticContact CZ-CE1 3.53Å; Y217-H553 PolarHBondContact OH-CE1 3.37Å; Y217-H553 VanDerWaalsContact OH-CE1 3.28Å; S450-H553 WeakPolarHBondContact CB-NE2 3.46Å; S450-H553 PolarHBondContact OG-NE2 3.13Å; I451-H553 HydrophobicContact CD1-CB 3.75Å; I451-H553 HydrophobicContact CG1-CB 3.83Å; I451-H553 VanDerWaalsContact CG1-CG 3.41Å; L549-H553 WeakPolarHBondContact O-CB 3.48Å; L549-H553 PolarHBondContact O-N 3.18Å; L549-H553 PolarHBondContact O-ND1 2.9Å; G550-H553 PolarHBondContact O-N 2.67Å; L551-H553 VanDerWaalsContact C-N 3.31Å; L551-H553 PolarHBondContact O-N 3.19Å; H553-H555 PolarHBondContact O-N 3.35Å; H553-F557 AromaticContact CE1-CD2 3.91Å; H553-F557 AromaticContact CG-CD2 3.92Å; H553-F557 AromaticContact ND1-CD2 3.81Å; H553-F557 PolarHBondContact O-N 2.81Å; H553-L558 WeakPolarHBondContact O-CB 3.31Å; H553-L558 PolarHBondContact O-N 3.21Å
554S91.9Very high92.1Very high0 Ų022.1 Ų22.10%012%0.117CC..Iπ-helixtrans-63.3-40-177.960.20000112.9L484 I488 G550 L551 P559L484-S554 WeakPolarHBondContact O-CB 3.34Å; I488-S554 WeakPolarHBondContact CD1-O 3.42Å; G550-S554 VanDerWaalsContact O-CB 3.26Å; G550-S554 WeakPolarHBondContact O-CB 3.5Å; G550-S554 PolarHBondContact O-N 3.44Å; G550-S554 PolarHBondContact O-OG 3.35Å; L551-S554 WeakPolarHBondContact CA-OG 3.39Å; L551-S554 PolarHBondContact O-N 2.99Å; L551-S554 PolarHBondContact O-OG 2.88Å; S554-P559 WeakPolarHBondContact O-CD 3.46Å; S554-P559 WeakPolarHBondContact O-CG 3.41Å
555H91.5Very high91.6Very high13 Ų1325 Ų256%0.0613%0.13CC..Iπ-helixtrans-92.5-31.6-174.3-74.264.8000114.7F193 Y197 G511 L551 H553 P559F193-H555 AromaticContact CE1-CD2 4Å; Y197-H555 PolarHBondContact OH-O 2.93Å; Y197-H555 VanDerWaalsContact OH-O 3.1Å; G511-H555 PolarHBondContact O-NE2 3.14Å; L551-H555 WeakPolarHBondContact O-CB 3.44Å; L551-H555 PolarHBondContact O-N 3.21Å; L551-H555 PolarHBondContact O-ND1 3.14Å; H553-H555 PolarHBondContact O-N 3.35Å; H555-P559 WeakPolarHBondContact O-CG 3.31Å
556I93Very high90.9Very high46 Ų4625.1 Ų25.124%0.23613%0.13CC..Iπ-helixtrans-111.8-61.4-171.8-55.7173.3000111Y197 L201 I210 L552 T560Y197-I556 WeakPolarHBondContact OH-CG1 3.44Å; L201-I556 HydrophobicContact CD1-CG2 4.27Å; I210-I556 HydrophobicContact CB-CG2 4.5Å; I210-I556 HydrophobicContact CD1-CG2 3.79Å; I210-I556 HydrophobicContact CG1-CG2 3.86Å; I210-I556 HydrophobicContact CG2-CG2 3.8Å; L552-I556 HydrophobicContact CD2-CD1 3.8Å; L552-I556 VanDerWaalsContact O-CB 3.31Å; L552-I556 WeakPolarHBondContact O-CB 3.31Å; L552-I556 PolarHBondContact O-N 3.37Å; I556-T560 VanDerWaalsContact O-CB 3.31Å; I556-T560 WeakPolarHBondContact O-CB 3.49Å; I556-T560 PolarHBondContact O-N 2.92Å; I556-T560 PolarHBondContact O-OG1 3.14Å
557F92.1Very high89.4Confident32 Ų3228.6 Ų28.614%0.1415%0.153CC..Iπ-helixtrans-72.1-46.4-170-61.5-57.1000112.5I210 Y214 L552 H553 T560 A561I210-F557 HydrophobicContact CG2-CD1 3.67Å; I210-F557 HydrophobicContact CG2-CE1 3.96Å; Y214-F557 HydrophobicContact CD2-CB 4.39Å; Y214-F557 AromaticContact CD2-CD1 3.64Å; Y214-F557 HydrophobicContact CD2-CD1 3.64Å; Y214-F557 HydrophobicContact CD2-CD2 4.08Å; Y214-F557 AromaticContact CD2-CE1 3.84Å; Y214-F557 HydrophobicContact CD2-CE1 3.84Å; Y214-F557 HydrophobicContact CD2-CE2 4.25Å; Y214-F557 AromaticContact CD2-CG 3.79Å; Y214-F557 HydrophobicContact CD2-CG 3.79Å; Y214-F557 HydrophobicContact CD2-CZ 4.13Å; Y214-F557 HydrophobicContact CE2-CG 4.43Å; Y214-F557 HydrophobicContact CG-CD1 4.12Å; Y214-F557 HydrophobicContact CG-CE1 4.2Å; L552-F557 HydrophobicContact CB-CE2 4.22Å; L552-F557 PolarHBondContact O-N 3.16Å; H553-F557 AromaticContact CE1-CD2 3.91Å; H553-F557 AromaticContact CG-CD2 3.92Å; H553-F557 AromaticContact ND1-CD2 3.81Å; H553-F557 PolarHBondContact O-N 2.81Å; F557-T560 PolarHBondContact O-N 2.98Å; F557-A561 WeakPolarHBondContact O-CB 3.25Å; F557-A561 PolarHBondContact O-N 3.35Å
558L91Very high87.9Confident5 Ų534 Ų343%0.02618%0.181CC..Hα-helixtrans-66.2-48.4-176.3-177.668.9000112.2F443 S489 H553 T560 A561 L562F443-L558 HydrophobicContact CB-CD1 4.47Å; S489-L558 WeakPolarHBondContact OG-CD2 3.3Å; H553-L558 WeakPolarHBondContact O-CB 3.31Å; H553-L558 PolarHBondContact O-N 3.21Å; L558-T560 VanDerWaalsContact C-N 3.28Å; L558-T560 PolarHBondContact O-N 3.07Å; L558-A561 PolarHBondContact O-N 3.29Å; L558-L562 HydrophobicContact CD1-CD1 4.42Å; L558-L562 HydrophobicContact CD1-CG 4.34Å; L558-L562 HydrophobicContact CG-CD1 4.15Å; L558-L562 HydrophobicContact CG-CG 4.47Å; L558-L562 WeakPolarHBondContact O-CB 3.14Å; L558-L562 VanDerWaalsContact O-CG 3.28Å; L558-L562 WeakPolarHBondContact O-CG 3.46Å; L558-L562 PolarHBondContact O-N 3.48Å
559P90.3Very high85.9Confident2 Ų236 Ų361%0.01320%0.195CC..Hα-helixtrans-61.9-38.4176-24.237.3000111.7L201 F202 I488 A503 L507 S554 H555 T563L201-P559 HydrophobicContact CD2-CB 4.18Å; F202-P559 HydrophobicContact CE1-CB 4.36Å; F202-P559 HydrophobicContact CZ-CB 4.42Å; I488-P559 HydrophobicContact CG2-CG 4.25Å; A503-P559 HydrophobicContact CB-CB 4.49Å; L507-P559 HydrophobicContact CD1-CB 4.1Å; L507-P559 HydrophobicContact CD1-CG 4.16Å; L507-P559 HydrophobicContact CD2-CG 4.17Å; L507-P559 HydrophobicContact CG-CG 4.38Å; S554-P559 WeakPolarHBondContact O-CD 3.46Å; S554-P559 WeakPolarHBondContact O-CG 3.41Å; H555-P559 WeakPolarHBondContact O-CG 3.31Å; P559-T563 VanDerWaalsContact O-CG2 3.31Å; P559-T563 WeakPolarHBondContact O-CG2 3.25Å; P559-T563 PolarHBondContact O-N 2.73Å; P559-T563 PolarHBondContact O-OG1 3.26Å
560T90.8Very high83.7Confident2 Ų239.7 Ų39.71%0.01222%0.223CC..Hα-helixtrans-62.7-48.8175.7-58.10000111.2K207 I210 I556 F557 L558 L562 T563 L564K207-T560 HydrophobicContact CB-CG2 4.11Å; K207-T560 HydrophobicContact CD-CG2 4.44Å; K207-T560 HydrophobicContact CG-CG2 4.03Å; I210-T560 HydrophobicContact CG2-CG2 4.15Å; I556-T560 VanDerWaalsContact O-CB 3.31Å; I556-T560 WeakPolarHBondContact O-CB 3.49Å; I556-T560 PolarHBondContact O-N 2.92Å; I556-T560 PolarHBondContact O-OG1 3.14Å; F557-T560 PolarHBondContact O-N 2.98Å; L558-T560 VanDerWaalsContact C-N 3.28Å; L558-T560 PolarHBondContact O-N 3.07Å; T560-L562 PolarHBondContact O-N 3.13Å; T560-T563 PolarHBondContact O-N 2.87Å; T560-T563 PolarHBondContact O-OG1 3.29Å; T560-L564 HydrophobicContact CG2-CD1 3.95Å; T560-L564 WeakPolarHBondContact O-CG 3.49Å; T560-L564 PolarHBondContact O-N 2.99Å
561A89.8Confident81.4Confident23 Ų2347.9 Ų47.919%0.1925%0.253CS..Hα-helixtrans-60.8-45.6178.100000112.1F443 F557 L558 T563 L564 F565F443-A561 HydrophobicContact CD1-CB 4.12Å; F443-A561 HydrophobicContact CE1-CB 4.3Å; F557-A561 WeakPolarHBondContact O-CB 3.25Å; F557-A561 PolarHBondContact O-N 3.35Å; L558-A561 PolarHBondContact O-N 3.29Å; A561-T563 VanDerWaalsContact C-N 3.31Å; A561-T563 PolarHBondContact O-N 3.16Å; A561-L564 PolarHBondContact O-N 3.42Å; A561-F565 HydrophobicContact CB-CD2 4.41Å; A561-F565 VanDerWaalsContact O-CD2 3.31Å; A561-F565 WeakPolarHBondContact O-CD2 3.2Å; A561-F565 PolarHBondContact O-N 3.31Å
562L87.8Confident79.3Confident1 Ų147.7 Ų47.71%0.00526%0.255CS..Hα-helixtrans-59.4-41.5176.4-69.2174.3000111.5F443 Y492 L558 T560 L564 L566F443-L562 HydrophobicContact CB-CD2 4.14Å; F443-L562 HydrophobicContact CG-CD2 4.41Å; Y492-L562 HydrophobicContact CD1-CD1 4.27Å; Y492-L562 HydrophobicContact CD2-CB 4.44Å; Y492-L562 HydrophobicContact CD2-CD1 4.41Å; Y492-L562 HydrophobicContact CE1-CB 4.43Å; Y492-L562 HydrophobicContact CE2-CB 4.23Å; Y492-L562 HydrophobicContact CG-CD1 4.04Å; L558-L562 HydrophobicContact CD1-CD1 4.42Å; L558-L562 HydrophobicContact CD1-CG 4.34Å; L558-L562 HydrophobicContact CG-CD1 4.15Å; L558-L562 HydrophobicContact CG-CG 4.47Å; L558-L562 WeakPolarHBondContact O-CB 3.14Å; L558-L562 VanDerWaalsContact O-CG 3.28Å; L558-L562 WeakPolarHBondContact O-CG 3.46Å; L558-L562 PolarHBondContact O-N 3.48Å; T560-L562 PolarHBondContact O-N 3.13Å; L562-L564 PolarHBondContact O-N 3.44Å; L562-L566 HydrophobicContact CD2-CD2 4.4Å; L562-L566 WeakPolarHBondContact O-CB 3.5Å; L562-L566 PolarHBondContact O-N 2.92Å
563T87.2Confident76.9Confident12 Ų1247.4 Ų47.47%0.07426%0.262CS..Hα-helixtrans-71.6-26.4177.7650000114.8F202 K207 P499 A503 P559 T560 A561F202-T563 HydrophobicContact CD1-CG2 3.8Å; F202-T563 HydrophobicContact CE1-CG2 3.57Å; F202-T563 HydrophobicContact CZ-CG2 4.39Å; K207-T563 PolarHBondContact NZ-OG1 3.06Å; P499-T563 WeakPolarHBondContact O-CG2 3.36Å; A503-T563 HydrophobicContact CB-CG2 3.6Å; P559-T563 VanDerWaalsContact O-CG2 3.31Å; P559-T563 WeakPolarHBondContact O-CG2 3.25Å; P559-T563 PolarHBondContact O-N 2.73Å; P559-T563 PolarHBondContact O-OG1 3.26Å; T560-T563 PolarHBondContact O-N 2.87Å; T560-T563 PolarHBondContact O-OG1 3.29Å; A561-T563 VanDerWaalsContact C-N 3.31Å; A561-T563 PolarHBondContact O-N 3.16Å
564L85.5Confident74.6Confident77 Ų7753.2 Ų53.240%0.40329%0.293SS..Hα-helixtrans-81.9-41179.3-72.7171.5000111.7K207 T560 A561 L562K207-L564 HydrophobicContact CD-CD2 4.02Å; K207-L564 HydrophobicContact CD-CG 4.35Å; T560-L564 HydrophobicContact CG2-CD1 3.95Å; T560-L564 WeakPolarHBondContact O-CG 3.49Å; T560-L564 PolarHBondContact O-N 2.99Å; A561-L564 PolarHBondContact O-N 3.42Å; L562-L564 PolarHBondContact O-N 3.44Å
565F84.3Confident72.6Confident137 Ų13754.2 Ų54.260%0.60130%0.301SS*.Hα-helixtrans-106.7-16.1-169.1-63.1-69.6000115.1F443 A561 P567F443-F565 HydrophobicContact CE1-CB 3.99Å; F443-F565 AromaticContact CE1-CD2 3.46Å; F443-F565 HydrophobicContact CE1-CD2 3.46Å; F443-F565 VanDerWaalsContact CE1-CD2 3.46Å; F443-F565 HydrophobicContact CE1-CE2 4.19Å; F443-F565 AromaticContact CE1-CG 3.94Å; F443-F565 HydrophobicContact CE1-CG 3.94Å; F443-F565 HydrophobicContact CE2-CB 3.64Å; F443-F565 HydrophobicContact CE2-CG 4.4Å; F443-F565 HydrophobicContact CZ-CB 3.17Å; F443-F565 HydrophobicContact CZ-CD1 4.39Å; F443-F565 AromaticContact CZ-CD2 3.52Å; F443-F565 HydrophobicContact CZ-CD2 3.52Å; F443-F565 HydrophobicContact CZ-CE2 4.48Å; F443-F565 AromaticContact CZ-CG 3.46Å; F443-F565 HydrophobicContact CZ-CG 3.46Å; F443-F565 VanDerWaalsContact CZ-CG 3.46Å; A561-F565 HydrophobicContact CB-CD2 4.41Å; A561-F565 VanDerWaalsContact O-CD2 3.31Å; A561-F565 WeakPolarHBondContact O-CD2 3.2Å; A561-F565 PolarHBondContact O-N 3.31Å; F565-P567 WeakPolarHBondContact O-CD 3.4Å
566L80.6Confident70.8Confident20 Ų2057 Ų5711%0.10532%0.315CS..  trans-111.566.6173.4-88.273.6000112.3C440 F443 Y492 L562 N568C440-L566 HydrophobicContact CB-CD2 4.4Å; F443-L566 HydrophobicContact CD2-CD1 3.42Å; F443-L566 VanDerWaalsContact CD2-CD1 3.42Å; F443-L566 HydrophobicContact CE2-CD1 3.36Å; F443-L566 HydrophobicContact CZ-CD1 4.48Å; Y492-L566 HydrophobicContact CE1-CB 4.46Å; Y492-L566 HydrophobicContact CE1-CD2 4.37Å; Y492-L566 PolarHBondContact OH-O 3.48Å; Y492-L566 VanDerWaalsContact OH-O 3.14Å; L562-L566 HydrophobicContact CD2-CD2 4.4Å; L562-L566 WeakPolarHBondContact O-CB 3.5Å; L562-L566 PolarHBondContact O-N 2.92Å; L566-N568 PolarHBondContact O-N 3.13Å
567P62.7Low68.8Low74 Ų7457.4 Ų57.448%0.48132%0.322SS..  trans-76.8-18.6-175.828.1-33.9000115.5P499 F565P499-P567 HydrophobicContact CG-CB 4.48Å; P499-P567 VanDerWaalsContact CG-O 3.31Å; P499-P567 WeakPolarHBondContact CG-O 3.39Å; F565-P567 WeakPolarHBondContact O-CD 3.4Å
568N61.3Low66.9Low116 Ų11661.6 Ų61.662%0.6234%0.344SS*.  trans-104.5124.2-162.3-96.8-20.5000116.1L566L566-N568 PolarHBondContact O-N 3.13Å
569P54Low65.1Low89 Ų8963 Ų6358%0.57835%0.351SS*.G310 helixtrans-73.5-2017526.8-31.5000114.1R571 A572P569-R571 PolarHBondContact O-N 3.3Å; P569-A572 PolarHBondContact O-N 2.92Å
570S47.7Very low63.5Low91 Ų9171.3 Ų71.364%0.63638%0.382SS*.G310 helixtrans-74.8-15-167.853.20000116.2
571R47Very low61.8Low173 Ų17378.7 Ų78.765%0.65341%0.414SS*.G310 helixtrans-96.9-14.9176.6-79.4-177.2175.9179-1.5114.5Y439 P569Y439-R571 PolarHBondContact OH-NH1 2.9Å; P569-R571 PolarHBondContact O-N 3.3Å
572A49Very low60.2Low17 Ų1783.2 Ų83.214%0.1443%0.429CS..Hα-helixtrans-72.2-28.2179.900000112.9P569 N574 S575 I576P569-A572 PolarHBondContact O-N 2.92Å; A572-N574 VanDerWaalsContact C-N 3.33Å; A572-N574 PolarHBondContact O-N 3.29Å; A572-S575 PolarHBondContact O-N 3.42Å; A572-S575 VanDerWaalsContact O-N 3.14Å; A572-I576 VanDerWaalsContact O-CG1 3.29Å; A572-I576 WeakPolarHBondContact O-CG1 3.27Å; A572-I576 PolarHBondContact O-N 3.35Å
573A43Very low58.8Low64 Ų6487.3 Ų87.353%0.52945%0.449SS..Hα-helixtrans-61.3-37.2179.500000113.2I576 S577A573-I576 PolarHBondContact O-N 2.81Å; A573-S577 PolarHBondContact O-N 3.41Å
574N45.2Very low57.4Low123 Ų12389.1 Ų89.166%0.65847%0.465SS*.Hα-helixtrans-71.5-36.7175.1-75.9-8000111.9A572 S577 M578A572-N574 VanDerWaalsContact C-N 3.33Å; A572-N574 PolarHBondContact O-N 3.29Å; N574-S577 PolarHBondContact O-N 2.93Å; N574-S577 PolarHBondContact O-OG 3.4Å; N574-M578 PolarHBondContact O-N 2.91Å; N574-M578 VanDerWaalsContact O-N 3.16Å
575S50.2Low55.8Low22 Ų2288.5 Ų88.515%0.15447%0.466CS..Hα-helixtrans-67.6-35.1174-73.80000113P436 A572 M578 L579P436-S575 VanDerWaalsContact O-CB 3.32Å; P436-S575 WeakPolarHBondContact O-CB 3.06Å; P436-S575 PolarHBondContact O-OG 2.81Å; A572-S575 PolarHBondContact O-N 3.42Å; A572-S575 VanDerWaalsContact O-N 3.14Å; S575-M578 PolarHBondContact O-N 3.26Å; S575-L579 PolarHBondContact O-N 2.96Å
576I53.5Low54.4Low70 Ų7087.3 Ų87.336%0.35946%0.461SS..Hα-helixtrans-68-36.7175.3-66.3162.7000110.7A572 A573 M578 L579 R580A572-I576 VanDerWaalsContact O-CG1 3.29Å; A572-I576 WeakPolarHBondContact O-CG1 3.27Å; A572-I576 PolarHBondContact O-N 3.35Å; A573-I576 PolarHBondContact O-N 2.81Å; I576-M578 VanDerWaalsContact C-N 3.31Å; I576-M578 PolarHBondContact O-N 3.33Å; I576-L579 WeakPolarHBondContact O-CB 3.3Å; I576-L579 PolarHBondContact O-N 2.85Å; I576-R580 WeakPolarHBondContact O-CG 3.35Å; I576-R580 PolarHBondContact O-N 3.5Å
577S52Low53Low56 Ų5694.4 Ų94.439%0.39249%0.486SS..Hα-helixtrans-64.4-36.5173.3840000112.4A573 N574 K581A573-S577 PolarHBondContact O-N 3.41Å; N574-S577 PolarHBondContact O-N 2.93Å; N574-S577 PolarHBondContact O-OG 3.4Å; S577-K581 WeakPolarHBondContact O-CG 3.41Å; S577-K581 PolarHBondContact O-N 3.07Å; S577-K581 VanDerWaalsContact O-N 3.14Å
578M52Low52.7Low120 Ų12098.1 Ų98.159%0.59150%0.495SS*.Hα-helixtrans-72.3-40.9176.6-157.8-161.1-64.400111.3N574 S575 I576 K581 F582N574-M578 PolarHBondContact O-N 2.91Å; N574-M578 VanDerWaalsContact O-N 3.16Å; S575-M578 PolarHBondContact O-N 3.26Å; I576-M578 VanDerWaalsContact C-N 3.31Å; I576-M578 PolarHBondContact O-N 3.33Å; M578-K581 WeakPolarHBondContact O-CB 3.45Å; M578-K581 PolarHBondContact O-N 3.31Å; M578-F582 WeakPolarHBondContact O-CB 3.46Å; M578-F582 PolarHBondContact O-N 2.86Å
579L52.6Low52.2Low33 Ų3399.1 Ų99.117%0.17350%0.5CS..Hα-helixtrans-55.5-49.3169.9-98.9166.8000111.8P436 S575 I576 K581 F582 Q583P436-L579 HydrophobicContact CB-CD1 4.18Å; P436-L579 HydrophobicContact CB-CD2 4.42Å; P436-L579 HydrophobicContact CB-CG 3.7Å; P436-L579 HydrophobicContact CG-CD1 3.47Å; P436-L579 VanDerWaalsContact CG-CD1 3.47Å; P436-L579 HydrophobicContact CG-CD2 4.08Å; P436-L579 HydrophobicContact CG-CG 3.48Å; P436-L579 VanDerWaalsContact CG-CG 3.48Å; S575-L579 PolarHBondContact O-N 2.96Å; I576-L579 WeakPolarHBondContact O-CB 3.3Å; I576-L579 PolarHBondContact O-N 2.85Å; L579-K581 VanDerWaalsContact C-N 3.26Å; L579-K581 PolarHBondContact O-N 3.21Å; L579-F582 CarbonylContact O-C 3.52Å; L579-F582 PolarHBondContact O-N 2.85Å; L579-F582 VanDerWaalsContact O-N 3.15Å; L579-Q583 VanDerWaalsContact O-CB 3.24Å; L579-Q583 WeakPolarHBondContact O-CB 3.37Å; L579-Q583 VanDerWaalsContact O-CG 3.29Å; L579-Q583 WeakPolarHBondContact O-CG 3.46Å; L579-Q583 PolarHBondContact O-N 3.21Å
580R56.5Low52.1Low177 Ų17798.9 Ų98.967%0.66850%0.497SS*.Hα-helixtrans-61.3-38.2178.8-75.5-178.7-178.8173.10.3111.4I576 A584I576-R580 WeakPolarHBondContact O-CG 3.35Å; I576-R580 PolarHBondContact O-N 3.5Å; R580-A584 WeakPolarHBondContact O-CB 3.38Å; R580-A584 PolarHBondContact O-N 3.43Å
581K56.6Low52.1Low157 Ų157100.4 Ų100.468%0.68350%0.497SS*.Hα-helixtrans-66.8-41.8173.9-73.8179-178-178.70112.2S577 M578 L579 A584 C585S577-K581 WeakPolarHBondContact O-CG 3.41Å; S577-K581 PolarHBondContact O-N 3.07Å; S577-K581 VanDerWaalsContact O-N 3.14Å; M578-K581 WeakPolarHBondContact O-CB 3.45Å; M578-K581 PolarHBondContact O-N 3.31Å; L579-K581 VanDerWaalsContact C-N 3.26Å; L579-K581 PolarHBondContact O-N 3.21Å; K581-A584 PolarHBondContact O-N 3.12Å; K581-C585 PolarHBondContact O-N 3.33Å; K581-C585 WeakPolarHBondContact O-CB 3.41Å
582F55.5Low51.7Low118 Ų11895.2 Ų95.252%0.51850%0.497SS..Hα-helixtrans-71.5-42.7179-162.5-92.1000111.8M578 L579 A584 C585 F586M578-F582 WeakPolarHBondContact O-CB 3.46Å; M578-F582 PolarHBondContact O-N 2.86Å; L579-F582 CarbonylContact O-C 3.52Å; L579-F582 PolarHBondContact O-N 2.85Å; L579-F582 VanDerWaalsContact O-N 3.15Å; F582-A584 VanDerWaalsContact C-N 3.34Å; F582-A584 PolarHBondContact O-N 3.41Å; F582-C585 CarbonylContact O-C 3.53Å; F582-C585 WeakPolarHBondContact O-CA 3.34Å; F582-C585 WeakPolarHBondContact O-CB 3.37Å; F582-C585 PolarHBondContact O-N 2.8Å; F582-C585 VanDerWaalsContact O-N 3.12Å; F582-F586 PolarHBondContact O-N 2.79Å; F582-F586 WeakPolarHBondContact O-CB 3.24Å
583Q58.7Low51.3Low87 Ų87101.4 Ų101.441%0.40752%0.523SS..Hα-helixtrans-60.3-41.9170.8-74.5176.7-38.400111L579 C585 F586 R587L579-Q583 VanDerWaalsContact O-CB 3.24Å; L579-Q583 WeakPolarHBondContact O-CB 3.37Å; L579-Q583 VanDerWaalsContact O-CG 3.29Å; L579-Q583 WeakPolarHBondContact O-CG 3.46Å; L579-Q583 PolarHBondContact O-N 3.21Å; Q583-C585 VanDerWaalsContact C-N 3.32Å; Q583-C585 PolarHBondContact O-N 2.97Å; Q583-F586 PolarHBondContact O-N 3.5Å; Q583-R587 WeakPolarHBondContact O-CB 3.39Å; Q583-R587 PolarHBondContact O-N 3.03Å
584A58.2Low51.2Low50 Ų50107.6 Ų107.641%0.41354%0.538SS..Hα-helixtrans-65.2-35.3173.100000112.4R580 K581 F582 K588R580-A584 WeakPolarHBondContact O-CB 3.38Å; R580-A584 PolarHBondContact O-N 3.43Å; K581-A584 PolarHBondContact O-N 3.12Å; F582-A584 VanDerWaalsContact C-N 3.34Å; F582-A584 PolarHBondContact O-N 3.41Å; A584-K588 WeakPolarHBondContact O-CB 3.43Å; A584-K588 VanDerWaalsContact O-CG 3.3Å; A584-K588 WeakPolarHBondContact O-CG 3.48Å; A584-K588 PolarHBondContact O-N 3.48Å
585C51.9Low50.9Low64 Ų64112.4 Ų112.443%0.43255%0.547SS..Hα-helixtrans-69.4-46.7175-167.10000111.6K581 F582 Q583 K588 L589K581-C585 PolarHBondContact O-N 3.33Å; K581-C585 WeakPolarHBondContact O-CB 3.41Å; F582-C585 CarbonylContact O-C 3.53Å; F582-C585 WeakPolarHBondContact O-CA 3.34Å; F582-C585 WeakPolarHBondContact O-CB 3.37Å; F582-C585 PolarHBondContact O-N 2.8Å; F582-C585 VanDerWaalsContact O-N 3.12Å; Q583-C585 VanDerWaalsContact C-N 3.32Å; Q583-C585 PolarHBondContact O-N 2.97Å; C585-K588 VanDerWaalsContact O-N 3.17Å; C585-K588 WeakPolarHBondContact O-CB 3.32Å; C585-K588 PolarHBondContact O-N 3.09Å; C585-L589 PolarHBondContact O-N 3.26Å
586F53.8Low50.5Low113 Ų113116.9 Ų116.950%0.49658%0.575SS.*Hα-helixtrans-64.6-42.9177.9-162.8-98.3000110.8F582 Q583 K588 L589 T590F582-F586 PolarHBondContact O-N 2.79Å; F582-F586 WeakPolarHBondContact O-CB 3.24Å; Q583-F586 PolarHBondContact O-N 3.5Å; F586-K588 VanDerWaalsContact C-N 3.29Å; F586-K588 PolarHBondContact O-N 2.97Å; F586-L589 CarbonylContact O-C 3.54Å; F586-L589 PolarHBondContact O-N 3.3Å; F586-T590 HydrophobicContact CZ-CG2 3.83Å; F586-T590 PolarHBondContact O-OG1 3.23Å; F586-T590 PolarHBondContact O-N 3.06Å; F586-T590 HydrophobicContact CG-CG2 4.46Å; F586-T590 HydrophobicContact CE2-CG2 4.44Å; F586-T590 VanDerWaalsContact CE1-CG2 3.5Å; F586-T590 HydrophobicContact CE1-CG2 3.5Å; F586-T590 HydrophobicContact CD1-CG2 3.85Å
587R51.5Low49.8Very low168 Ų168120.9 Ų120.963%0.63460%0.598SS**Hα-helixtrans-59.8-38173.1-161.9-175.9-97.7-162.1-4.7111.5Q583 L591Q583-R587 WeakPolarHBondContact O-CB 3.39Å; Q583-R587 PolarHBondContact O-N 3.03Å; R587-L591 HydrophobicContact CG-CD1 3.83Å; R587-L591 WeakPolarHBondContact O-CB 3.43Å; R587-L591 PolarHBondContact O-N 3.42Å
588K56.2Low49.3Very low152 Ų152123.4 Ų123.466%0.66162%0.615SS**Hα-helixtrans-66.5-35.9171.9-80176.5179.9179.90113.4A584 C585 F586A584-K588 WeakPolarHBondContact O-CB 3.43Å; A584-K588 VanDerWaalsContact O-CG 3.3Å; A584-K588 WeakPolarHBondContact O-CG 3.48Å; A584-K588 PolarHBondContact O-N 3.48Å; C585-K588 VanDerWaalsContact O-N 3.17Å; C585-K588 WeakPolarHBondContact O-CB 3.32Å; C585-K588 PolarHBondContact O-N 3.09Å; F586-K588 VanDerWaalsContact C-N 3.29Å; F586-K588 PolarHBondContact O-N 2.97Å
589L51.5Low48.8Very low138 Ų138124.1 Ų124.172%0.72363%0.626SS**Hα-helixtrans-76.4-32.4179-89.4147.2000113C585 F586C585-L589 PolarHBondContact O-N 3.26Å; F586-L589 CarbonylContact O-C 3.54Å; F586-L589 PolarHBondContact O-N 3.3Å
590T51.8Low48.4Very low84 Ų84128 Ų12852%0.51565%0.653SS.*Hα-helixtrans-94.9-28.1-17755.20000114.6F586F586-T590 HydrophobicContact CZ-CG2 3.83Å; F586-T590 PolarHBondContact O-OG1 3.23Å; F586-T590 PolarHBondContact O-N 3.06Å; F586-T590 HydrophobicContact CG-CG2 4.46Å; F586-T590 HydrophobicContact CE2-CG2 4.44Å; F586-T590 VanDerWaalsContact CE1-CG2 3.5Å; F586-T590 HydrophobicContact CE1-CG2 3.5Å; F586-T590 HydrophobicContact CD1-CG2 3.85Å
591L48.5Very low47.5Very low123 Ų123132.2 Ų132.264%0.64468%0.681SS**Hα-helixtrans-111.64.7-174.4-73.5163.7000115.3R587 E593R587-L591 HydrophobicContact CG-CD1 3.83Å; R587-L591 WeakPolarHBondContact O-CB 3.43Å; R587-L591 PolarHBondContact O-N 3.42Å; L591-E593 PolarHBondContact O-N 3.41Å
592G38.4Very low47.1Very low63 Ų63131 Ų13165%0.64968%0.681SS**  trans53.632.6167.400000115.2K594G592-K594 PolarHBondContact O-N 3.02Å
593E40.5Very low46.6Very low147 Ų147131.7 Ų131.769%0.68769%0.689SS**  trans-72.4106.5-172.5-160.5172.4175.200110.8L591 R595L591-E593 PolarHBondContact O-N 3.41Å; E593-R595 PolarHBondContact O-N 3.4Å
594K40.4Very low46Very low195 Ų195134.2 Ų134.285%0.84871%0.705SS**PPolyproline II helixtrans-59.3128.9165.5-78.6-179.5175.8178.10108.2G592G592-K594 PolarHBondContact O-N 3.02Å
595R38.3Very low45.3Very low224 Ų224139.1 Ų139.185%0.84572%0.722SS**PPolyproline II helixtrans-51131.9170.7-73.8-174.8-168.6-173.93.6109.1E593 N597E593-R595 PolarHBondContact O-N 3.4Å; R595-N597 PolarHBondContact O-N 2.9Å
596P42.8Very low44.8Very low115 Ų115143.8 Ų143.875%0.74774%0.74SS**PPolyproline II helixtrans-62.7128.3164.125.3-29.4000107.9S598P596-S598 PolarHBondContact O-N 3.37Å
597N38.7Very low44.2Very low154 Ų154145.9 Ų145.982%0.82476%0.756SS**PPolyproline II helixtrans-56.3123.8176.3-74.8-29.8000109.3R595 V599R595-N597 PolarHBondContact O-N 2.9Å; N597-V599 PolarHBondContact O-N 3.34Å
598S42.3Very low43.7Very low110 Ų110144.3 Ų144.377%0.76977%0.765SS**  trans-59.2112.1158.949.60000108.1P596 P600P596-S598 PolarHBondContact O-N 3.37Å; S598-P600 WeakPolarHBondContact O-CD 3.12Å
599V39.7Very low42.8Very low134 Ų134143.7 Ų143.781%0.81277%0.773SS**  trans-72.9124161.7179.30000106.7N597N597-V599 PolarHBondContact O-N 3.34Å
600P45Very low42Very low114 Ų114144.2 Ų144.274%0.7478%0.777SS**  trans-90.9112.4175.831.9-25.5000110.5S598S598-P600 WeakPolarHBondContact O-CD 3.12Å
601Q38.3Very low41.2Very low267 Ų267149.6 Ų149.6100%1.24880%0.801SS**  trans162.90132.9-91.2-170.4-6.100110

Retrieved 601 of 601 residues in 385.7 ms (Link to these results)

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