A0A096NUA3_PAPAN Loading...

Zinc finger and BTB domain-containing protein 14

Transcriptional activator of the dopamine transporter (DAT), binding it's promoter at the consensus sequence 5'-CCTGCACAGTTCACGGA-3'. Binds to 5'-d(GCC)(n)-3' trinucleotide repeats in promoter regions and acts as a repressor of the FMR1 gene. Transcriptional repressor of MYC and thymidine kinase promoters.

AlphaFold DB (O43829), UniProt , Accession A0A096NUA3, Species PAPAN (Papio anubis, Olive baboon), Gene ZBTB14, Length 449 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.1Very low50.2Low127 Ų12754 Ų5463%0.62628%0.275SS*.  0-540-70.5-56.8-98.700111.1F3 F4 I5 I76M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.06Å; M1-F4 WeakPolarHBondContact O-CA 3.33Å; M1-F4 WeakPolarHBondContact O-CB 3.37Å; M1-F4 PolarHBondContact O-N 3.14Å; M1-F4 HydrophobicContact SD-CD2 4.37Å; M1-I5 PolarHBondContact O-N 3.32Å; M1-I76 HydrophobicContact CE-CG2 4.24Å; M1-I76 HydrophobicContact SD-CG2 3.95Å
2E47.8Very low50Low139 Ų13960.8 Ų60.865%0.6530%0.302SS*.Hα-helixtrans-51.8-45.2178.4-66.8178.6163.600113.9F4 I5 S6E2-F4 VanDerWaalsContact C-N 3.28Å; E2-F4 PolarHBondContact O-N 3.48Å; E2-I5 PolarHBondContact O-N 2.86Å; E2-S6 WeakPolarHBondContact O-CB 3.19Å; E2-S6 PolarHBondContact O-N 3.14Å
3F52Low50.6Low12 Ų1265.5 Ų65.55%0.05332%0.315CS..Hα-helixtrans-53.5-42172.4174.7-100.4000113.3M1 M7 F22 T25 L26 L31 Y60M1-F3 VanDerWaalsContact C-N 3.32Å; M1-F3 PolarHBondContact O-N 3.06Å; F3-M7 HydrophobicContact CE1-CE 4.13Å; F3-M7 HydrophobicContact CE1-SD 4.11Å; F3-M7 HydrophobicContact CZ-SD 4.12Å; F3-M7 VanDerWaalsContact O-CB 3.3Å; F3-M7 WeakPolarHBondContact O-CB 3.48Å; F3-M7 PolarHBondContact O-N 3.3Å; F3-F22 HydrophobicContact CD2-CD2 4.45Å; F3-F22 AromaticContact CD2-CE2 3.88Å; F3-F22 HydrophobicContact CD2-CE2 3.88Å; F3-F22 HydrophobicContact CE1-CE2 4.48Å; F3-F22 HydrophobicContact CE2-CD2 4.12Å; F3-F22 AromaticContact CE2-CE2 3.2Å; F3-F22 HydrophobicContact CE2-CE2 3.2Å; F3-F22 AromaticContact CE2-CZ 3.55Å; F3-F22 HydrophobicContact CE2-CZ 3.55Å; F3-F22 AromaticContact CZ-CE2 3.57Å; F3-F22 HydrophobicContact CZ-CE2 3.57Å; F3-F22 AromaticContact CZ-CZ 3.77Å; F3-F22 HydrophobicContact CZ-CZ 3.77Å; F3-T25 HydrophobicContact CB-CG2 4.02Å; F3-T25 HydrophobicContact CD2-CG2 4.28Å; F3-L26 HydrophobicContact CD2-CD2 4.33Å; F3-L26 HydrophobicContact CE2-CD2 3.43Å; F3-L26 VanDerWaalsContact CE2-CD2 3.43Å; F3-L26 HydrophobicContact CE2-CG 3.77Å; F3-L26 HydrophobicContact CZ-CD2 4.08Å; F3-L31 HydrophobicContact CD2-CD1 4.32Å; F3-L31 HydrophobicContact CE2-CD1 4.43Å; F3-Y60 HydrophobicContact CE1-CE1 4.29Å; F3-Y60 HydrophobicContact CE1-CE2 4.4Å
4F46.8Very low50.9Low20 Ų2065 Ų659%0.08832%0.315CS..Hα-helixtrans-73-38.9-179.4-63.9-66.3000112.5M1 E2 M7 S8 Y60 F61 L64 I78 F80M1-F4 WeakPolarHBondContact O-CA 3.33Å; M1-F4 WeakPolarHBondContact O-CB 3.37Å; M1-F4 PolarHBondContact O-N 3.14Å; M1-F4 HydrophobicContact SD-CD2 4.37Å; E2-F4 VanDerWaalsContact C-N 3.28Å; E2-F4 PolarHBondContact O-N 3.48Å; F4-M7 HydrophobicContact CD1-CE 3.97Å; F4-M7 PolarHBondContact O-N 3.36Å; F4-S8 VanDerWaalsContact O-CB 3.29Å; F4-S8 WeakPolarHBondContact O-CB 3.16Å; F4-S8 PolarHBondContact O-N 3.1Å; F4-Y60 HydrophobicContact CE1-CD1 4.36Å; F4-Y60 AromaticContact CE1-CE1 3.78Å; F4-Y60 HydrophobicContact CE1-CE1 3.78Å; F4-Y60 AromaticContact CZ-CE1 3.66Å; F4-Y60 HydrophobicContact CZ-CE1 3.66Å; F4-F61 HydrophobicContact CD1-CE1 4.37Å; F4-F61 HydrophobicContact CD1-CZ 4.08Å; F4-F61 HydrophobicContact CE1-CD1 4.38Å; F4-F61 AromaticContact CE1-CE1 3.31Å; F4-F61 HydrophobicContact CE1-CE1 3.31Å; F4-F61 HydrophobicContact CE1-CE2 4.42Å; F4-F61 AromaticContact CE1-CZ 3.33Å; F4-F61 HydrophobicContact CE1-CZ 3.33Å; F4-F61 HydrophobicContact CZ-CD1 4.31Å; F4-F61 AromaticContact CZ-CE1 3.42Å; F4-F61 HydrophobicContact CZ-CE1 3.42Å; F4-F61 VanDerWaalsContact CZ-CE1 3.42Å; F4-F61 AromaticContact CZ-CZ 3.96Å; F4-F61 HydrophobicContact CZ-CZ 3.96Å; F4-L64 HydrophobicContact CZ-CD2 4.48Å; F4-I78 HydrophobicContact CE2-CD1 4.26Å; F4-I78 HydrophobicContact CZ-CD1 4.26Å; F4-F80 HydrophobicContact CB-CE2 4.4Å; F4-F80 HydrophobicContact CD1-CE2 4.45Å; F4-F80 HydrophobicContact CD1-CZ 4.44Å
5I48Very low51.8Low93 Ų9364.1 Ų64.148%0.47731%0.312SS..Hα-helixtrans-60.7-51.5174.2-65.5170.8000108.6M1 E2 M7 S8 E9M1-I5 PolarHBondContact O-N 3.32Å; E2-I5 PolarHBondContact O-N 2.86Å; I5-M7 VanDerWaalsContact C-N 3.33Å; I5-M7 PolarHBondContact O-N 2.97Å; I5-S8 PolarHBondContact O-N 3.04Å; I5-E9 HydrophobicContact CG2-CG 4.34Å; I5-E9 WeakPolarHBondContact O-CB 3.47Å; I5-E9 VanDerWaalsContact O-CG 3.31Å; I5-E9 WeakPolarHBondContact O-CG 3.4Å; I5-E9 PolarHBondContact O-N 3.41Å
6S55.8Low52.6Low4 Ų467.5 Ų67.53%0.02833%0.332CS..Hα-helixtrans-60.5-40.8178.7-178.10000112.4E2 E9 T10 F22E2-S6 WeakPolarHBondContact O-CB 3.19Å; E2-S6 PolarHBondContact O-N 3.14Å; S6-E9 PolarHBondContact O-N 3.04Å; S6-T10 VanDerWaalsContact O-CB 3.3Å; S6-T10 WeakPolarHBondContact O-CB 3.41Å; S6-T10 PolarHBondContact O-N 3.21Å; S6-T10 PolarHBondContact O-OG1 3.47Å; S6-F22 WeakPolarHBondContact OG-CA 3.14Å; S6-F22 WeakPolarHBondContact OG-CB 3.42Å; S6-F22 PolarHBondContact OG-N 3.03Å
7M54.4Low53.7Low2 Ų271.4 Ų71.41%0.0136%0.355CS..Hα-helixtrans-63.4-46.9175.1-167.7164.458.100112F3 F4 I5 T10 I11 F22 C57 F80F3-M7 HydrophobicContact CE1-CE 4.13Å; F3-M7 HydrophobicContact CE1-SD 4.11Å; F3-M7 HydrophobicContact CZ-SD 4.12Å; F3-M7 VanDerWaalsContact O-CB 3.3Å; F3-M7 WeakPolarHBondContact O-CB 3.48Å; F3-M7 PolarHBondContact O-N 3.3Å; F4-M7 HydrophobicContact CD1-CE 3.97Å; F4-M7 PolarHBondContact O-N 3.36Å; I5-M7 VanDerWaalsContact C-N 3.33Å; I5-M7 PolarHBondContact O-N 2.97Å; M7-T10 PolarHBondContact O-N 3.37Å; M7-I11 HydrophobicContact CG-CD1 3.95Å; M7-I11 VanDerWaalsContact O-CG1 3.26Å; M7-I11 WeakPolarHBondContact O-CG1 3.32Å; M7-I11 PolarHBondContact O-N 2.84Å; M7-F22 HydrophobicContact CB-CD2 3.86Å; M7-F22 HydrophobicContact CB-CE2 3.53Å; M7-F22 HydrophobicContact CG-CD2 4.32Å; M7-F22 HydrophobicContact CG-CE2 3.69Å; M7-F22 HydrophobicContact CG-CZ 4.24Å; M7-F22 HydrophobicContact SD-CE2 4.06Å; M7-F22 HydrophobicContact SD-CZ 4.28Å; M7-C57 VanDerWaalsContact SD-SG 3.67Å; M7-F80 HydrophobicContact CE-CZ 4.2Å
8S46.6Very low54.2Low63 Ų6369.8 Ų69.844%0.44135%0.346SS..Hα-helixtrans-61.5-44.3178.3175.40000111.3F4 I5 I11 K12F4-S8 VanDerWaalsContact O-CB 3.29Å; F4-S8 WeakPolarHBondContact O-CB 3.16Å; F4-S8 PolarHBondContact O-N 3.1Å; I5-S8 PolarHBondContact O-N 3.04Å; S8-I11 PolarHBondContact O-N 2.9Å; S8-K12 WeakPolarHBondContact O-CB 3.46Å; S8-K12 PolarHBondContact O-N 2.67Å
9E54.8Low54.6Low65 Ų6567.2 Ų67.230%0.30433%0.333SS..Hα-helixtrans-65.3-41176.8-70175.8163.500111.5I5 S6 I11 K12 Y13 H18I5-E9 HydrophobicContact CG2-CG 4.34Å; I5-E9 WeakPolarHBondContact O-CB 3.47Å; I5-E9 VanDerWaalsContact O-CG 3.31Å; I5-E9 WeakPolarHBondContact O-CG 3.4Å; I5-E9 PolarHBondContact O-N 3.41Å; S6-E9 PolarHBondContact O-N 3.04Å; E9-I11 PolarHBondContact O-N 3.31Å; E9-K12 PolarHBondContact O-N 3.35Å; E9-Y13 HydrophobicContact CB-CD2 4.24Å; E9-Y13 HydrophobicContact CB-CE2 4.48Å; E9-Y13 HydrophobicContact CG-CE2 4.47Å; E9-Y13 VanDerWaalsContact O-CD2 3.29Å; E9-Y13 WeakPolarHBondContact O-CD2 3.5Å; E9-Y13 PolarHBondContact O-N 2.74Å; E9-H18 VanDerWaalsContact CB-CD2 3.44Å; E9-H18 WeakPolarHBondContact CB-CD2 3.15Å; E9-H18 IonicContact OE2-CD2 3.35Å
10T55.7Low55.1Low1 Ų168.2 Ų68.21%0.00634%0.343CS..Hα-helixtrans-62.4-44.1176-57.40000112.1S6 M7 K12 N14 H18 K19 F22 V42S6-T10 VanDerWaalsContact O-CB 3.3Å; S6-T10 WeakPolarHBondContact O-CB 3.41Å; S6-T10 PolarHBondContact O-N 3.21Å; S6-T10 PolarHBondContact O-OG1 3.47Å; M7-T10 PolarHBondContact O-N 3.37Å; T10-K12 VanDerWaalsContact C-N 3.32Å; T10-N14 WeakPolarHBondContact O-CA 3.33Å; T10-N14 PolarHBondContact O-N 2.87Å; T10-H18 VanDerWaalsContact OG1-C 3.31Å; T10-H18 PolarHBondContact OG1-O 3.44Å; T10-K19 HydrophobicContact CG2-CB 4.35Å; T10-K19 HydrophobicContact CG2-CG 3.64Å; T10-F22 HydrophobicContact CG2-CB 4.41Å; T10-F22 VanDerWaalsContact OG1-CB 3.27Å; T10-F22 WeakPolarHBondContact OG1-CB 3.36Å; T10-V42 HydrophobicContact CG2-CG1 3.65Å
11I49.7Very low55.5Low68 Ų6868.8 Ų68.835%0.34935%0.346SS..Hα-helixtrans-64.9-39.7176-67.2164.6000110.6M7 S8 E9 V53M7-I11 HydrophobicContact CG-CD1 3.95Å; M7-I11 VanDerWaalsContact O-CG1 3.26Å; M7-I11 WeakPolarHBondContact O-CG1 3.32Å; M7-I11 PolarHBondContact O-N 2.84Å; S8-I11 PolarHBondContact O-N 2.9Å; E9-I11 PolarHBondContact O-N 3.31Å; I11-V53 HydrophobicContact CD1-CG1 3.89Å
12K46.8Very low56.6Low136 Ų13662.7 Ų62.759%0.59132%0.317SS*.Hα-helixtrans-71.1-49.5-175.8-178.8-177.8177.1-165.40112.9S8 E9 T10S8-K12 WeakPolarHBondContact O-CB 3.46Å; S8-K12 PolarHBondContact O-N 2.67Å; E9-K12 PolarHBondContact O-N 3.35Å; T10-K12 VanDerWaalsContact C-N 3.32Å
13Y58.2Low57.2Low121 Ų12158.7 Ų58.748%0.47530%0.299SS..Hα-helixtrans-95.1-27.8-172.7-61.9-73.1000112.4E9 D15 H18E9-Y13 HydrophobicContact CB-CD2 4.24Å; E9-Y13 HydrophobicContact CB-CE2 4.48Å; E9-Y13 HydrophobicContact CG-CE2 4.47Å; E9-Y13 VanDerWaalsContact O-CD2 3.29Å; E9-Y13 WeakPolarHBondContact O-CD2 3.5Å; E9-Y13 PolarHBondContact O-N 2.74Å; Y13-D15 WeakPolarHBondContact CB-OD2 3.29Å; Y13-D15 PolarHBondContact O-N 3.27Å; Y13-D15 VanDerWaalsContact O-N 3.08Å; Y13-H18 AromaticContact CD2-CE1 3.68Å; Y13-H18 AromaticContact CD2-NE2 3.77Å
14N55Low57.9Low59 Ų5963.9 Ų63.932%0.31632%0.322SS..  trans48.732.6179.4-167.920.9000113.2T10 K19T10-N14 WeakPolarHBondContact O-CA 3.33Å; T10-N14 PolarHBondContact O-N 2.87Å; N14-K19 WeakPolarHBondContact OD1-CE 2.95Å; N14-K19 PolarHBondContact OD1-NZ 2.81Å
15D64.1Low58.5Low51 Ų5163.5 Ų63.527%0.27332%0.321SS..  trans-97.5163.1173.964.264.6000111.2Y13 D17 H18 K19Y13-D15 WeakPolarHBondContact CB-OD2 3.29Å; Y13-D15 PolarHBondContact O-N 3.27Å; Y13-D15 VanDerWaalsContact O-N 3.08Å; D15-D17 VanDerWaalsContact C-N 3.28Å; D15-D17 PolarHBondContact O-N 2.84Å; D15-D17 WeakPolarHBondContact OD1-CB 3.16Å; D15-D17 PolarHBondContact OD1-N 3.47Å; D15-D17 VanDerWaalsContact OD1-N 3.09Å; D15-H18 IonicContact OD1-CE1 3.36Å; D15-H18 IonicContact OD1-CG 3.09Å; D15-H18 PolarHBondContact OD1-N 2.88Å; D15-H18 IonicContact OD1-ND1 2.8Å; D15-H18 PolarHBondContact OD1-ND1 3.36Å; D15-H18 IonicContact OD2-CE1 3.75Å; D15-H18 PolarHBondContact OD2-CE1 3.02Å; D15-H18 IonicContact OD2-CG 2.72Å; D15-H18 IonicContact OD2-ND1 3.94Å; D15-H18 PolarHBondContact OD2-ND1 3.25Å; D15-K19 VanDerWaalsContact O-CG 3.32Å; D15-K19 WeakPolarHBondContact O-CG 3.5Å; D15-K19 PolarHBondContact O-N 3.26Å; D15-K19 VanDerWaalsContact O-N 3.1Å
16D65.6Low58.9Low119 Ų11959.2 Ų59.264%0.63630%0.299SS*.Hα-helixtrans-69.6-25.9-174.5-65.4-28.1000112.4T20D16-T20 VanDerWaalsContact O-CB 3.26Å; D16-T20 WeakPolarHBondContact O-CB 3.37Å; D16-T20 PolarHBondContact O-N 3.3Å; D16-T20 PolarHBondContact O-OG1 3.44Å
17D70.4Confident59.1Low134 Ų13463.2 Ų63.272%0.71732%0.32SS*.Hα-helixtrans-69.8-47.5178.7-69.1-24.2000110.7D15 T20 L21D15-D17 VanDerWaalsContact C-N 3.28Å; D15-D17 PolarHBondContact O-N 2.84Å; D15-D17 WeakPolarHBondContact OD1-CB 3.16Å; D15-D17 PolarHBondContact OD1-N 3.47Å; D15-D17 VanDerWaalsContact OD1-N 3.09Å; D17-T20 PolarHBondContact O-N 3.5Å; D17-L21 WeakPolarHBondContact O-CB 2.98Å; D17-L21 PolarHBondContact O-N 2.85Å
18H63.5Low59.4Low43 Ų4368.9 Ų68.920%0.19935%0.347CS..Hα-helixtrans-69-38.2177-67.893.5000111.7E9 T10 Y13 D15 T20 L21 F22E9-H18 VanDerWaalsContact CB-CD2 3.44Å; E9-H18 WeakPolarHBondContact CB-CD2 3.15Å; E9-H18 IonicContact OE2-CD2 3.35Å; T10-H18 VanDerWaalsContact OG1-C 3.31Å; T10-H18 PolarHBondContact OG1-O 3.44Å; Y13-H18 AromaticContact CD2-CE1 3.68Å; Y13-H18 AromaticContact CD2-NE2 3.77Å; D15-H18 IonicContact OD1-CE1 3.36Å; D15-H18 IonicContact OD1-CG 3.09Å; D15-H18 PolarHBondContact OD1-N 2.88Å; D15-H18 IonicContact OD1-ND1 2.8Å; D15-H18 PolarHBondContact OD1-ND1 3.36Å; D15-H18 IonicContact OD2-CE1 3.75Å; D15-H18 PolarHBondContact OD2-CE1 3.02Å; D15-H18 IonicContact OD2-CG 2.72Å; D15-H18 IonicContact OD2-ND1 3.94Å; D15-H18 PolarHBondContact OD2-ND1 3.25Å; H18-T20 VanDerWaalsContact C-N 3.31Å; H18-T20 PolarHBondContact O-N 3.14Å; H18-L21 WeakPolarHBondContact O-CB 3.31Å; H18-L21 PolarHBondContact O-N 3.42Å; H18-F22 WeakPolarHBondContact O-CB 3.46Å; H18-F22 PolarHBondContact O-N 3.35Å
19K60.3Low60Low20 Ų2071 Ų719%0.08735%0.35CS..Hα-helixtrans-57.9-45.7171.2-75.1176.7-175.9174.50111.6T10 N14 D15 L21 F22 L23 V42T10-K19 HydrophobicContact CG2-CB 4.35Å; T10-K19 HydrophobicContact CG2-CG 3.64Å; N14-K19 WeakPolarHBondContact OD1-CE 2.95Å; N14-K19 PolarHBondContact OD1-NZ 2.81Å; D15-K19 VanDerWaalsContact O-CG 3.32Å; D15-K19 WeakPolarHBondContact O-CG 3.5Å; D15-K19 PolarHBondContact O-N 3.26Å; D15-K19 VanDerWaalsContact O-N 3.1Å; K19-L21 VanDerWaalsContact C-N 3.35Å; K19-F22 PolarHBondContact O-N 2.96Å; K19-L23 WeakPolarHBondContact O-CB 3.28Å; K19-L23 VanDerWaalsContact O-CG 3.32Å; K19-L23 WeakPolarHBondContact O-CG 3.02Å; K19-L23 PolarHBondContact O-N 3.12Å; K19-V42 HydrophobicContact CG-CG1 4.12Å
20T65.5Low60.2Low87 Ų8778.7 Ų78.753%0.53438%0.376SS..Hα-helixtrans-62.3-44.3177.2-59.60000110.7D16 D17 H18 F22 L23 K24D16-T20 VanDerWaalsContact O-CB 3.26Å; D16-T20 WeakPolarHBondContact O-CB 3.37Å; D16-T20 PolarHBondContact O-N 3.3Å; D16-T20 PolarHBondContact O-OG1 3.44Å; D17-T20 PolarHBondContact O-N 3.5Å; H18-T20 VanDerWaalsContact C-N 3.31Å; H18-T20 PolarHBondContact O-N 3.14Å; T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 2.88Å; T20-L23 PolarHBondContact O-N 3.23Å; T20-K24 WeakPolarHBondContact O-CB 3.43Å; T20-K24 PolarHBondContact O-N 3.36Å
21L64.2Low60Low80 Ų8079.9 Ų79.942%0.41938%0.382SS..Hα-helixtrans-60.4-40.9175.8-175.464.1000111.8D17 H18 K19 T25D17-L21 WeakPolarHBondContact O-CB 2.98Å; D17-L21 PolarHBondContact O-N 2.85Å; H18-L21 WeakPolarHBondContact O-CB 3.31Å; H18-L21 PolarHBondContact O-N 3.42Å; K19-L21 VanDerWaalsContact C-N 3.35Å; L21-T25 WeakPolarHBondContact O-CB 3.32Å; L21-T25 PolarHBondContact O-N 3.33Å; L21-T25 PolarHBondContact O-OG1 3.22Å
22F63.1Low60Low0 Ų081.3 Ų81.30%039%0.387CS..Hα-helixtrans-68.7-47.8178.6176-97.8000112.7F3 S6 M7 T10 H18 K19 T20 K24 T25 L26 I38 V42F3-F22 HydrophobicContact CD2-CD2 4.45Å; F3-F22 AromaticContact CD2-CE2 3.88Å; F3-F22 HydrophobicContact CD2-CE2 3.88Å; F3-F22 HydrophobicContact CE1-CE2 4.48Å; F3-F22 HydrophobicContact CE2-CD2 4.12Å; F3-F22 AromaticContact CE2-CE2 3.2Å; F3-F22 HydrophobicContact CE2-CE2 3.2Å; F3-F22 AromaticContact CE2-CZ 3.55Å; F3-F22 HydrophobicContact CE2-CZ 3.55Å; F3-F22 AromaticContact CZ-CE2 3.57Å; F3-F22 HydrophobicContact CZ-CE2 3.57Å; F3-F22 AromaticContact CZ-CZ 3.77Å; F3-F22 HydrophobicContact CZ-CZ 3.77Å; S6-F22 WeakPolarHBondContact OG-CA 3.14Å; S6-F22 WeakPolarHBondContact OG-CB 3.42Å; S6-F22 PolarHBondContact OG-N 3.03Å; M7-F22 HydrophobicContact CB-CD2 3.86Å; M7-F22 HydrophobicContact CB-CE2 3.53Å; M7-F22 HydrophobicContact CG-CD2 4.32Å; M7-F22 HydrophobicContact CG-CE2 3.69Å; M7-F22 HydrophobicContact CG-CZ 4.24Å; M7-F22 HydrophobicContact SD-CE2 4.06Å; M7-F22 HydrophobicContact SD-CZ 4.28Å; T10-F22 HydrophobicContact CG2-CB 4.41Å; T10-F22 VanDerWaalsContact OG1-CB 3.27Å; T10-F22 WeakPolarHBondContact OG1-CB 3.36Å; H18-F22 WeakPolarHBondContact O-CB 3.46Å; H18-F22 PolarHBondContact O-N 3.35Å; K19-F22 PolarHBondContact O-N 2.96Å; T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 2.88Å; F22-K24 VanDerWaalsContact C-N 3.29Å; F22-K24 PolarHBondContact O-N 3.2Å; F22-T25 CarbonylContact O-C 3.58Å; F22-T25 WeakPolarHBondContact O-CB 3.26Å; F22-T25 PolarHBondContact O-N 3.45Å; F22-T25 VanDerWaalsContact O-N 3.14Å; F22-L26 HydrophobicContact CD1-CD1 3.84Å; F22-L26 HydrophobicContact CD1-CG 4.39Å; F22-L26 HydrophobicContact CE1-CD1 3.21Å; F22-L26 HydrophobicContact CE1-CG 3.87Å; F22-L26 HydrophobicContact CZ-CD1 3.71Å; F22-L26 HydrophobicContact CZ-CD2 4.41Å; F22-L26 HydrophobicContact CZ-CG 3.95Å; F22-L26 PolarHBondContact O-N 2.8Å; F22-I38 HydrophobicContact CE1-CG2 4.1Å; F22-I38 HydrophobicContact CZ-CG2 3.69Å; F22-V42 HydrophobicContact CD1-CB 4Å; F22-V42 HydrophobicContact CD1-CG1 3.7Å; F22-V42 HydrophobicContact CD1-CG2 3.77Å; F22-V42 HydrophobicContact CE1-CB 3.87Å; F22-V42 HydrophobicContact CE1-CG1 4.11Å; F22-V42 HydrophobicContact CE1-CG2 3.32Å; F22-V42 HydrophobicContact CZ-CG2 3.98Å
23L61.4Low60.1Low55 Ų5578.3 Ų78.329%0.28840%0.395SS..Hα-helixtrans-62.1-40175.9-69.3173.6000111.1K19 T20 T25 L26 N27 A39K19-L23 WeakPolarHBondContact O-CB 3.28Å; K19-L23 VanDerWaalsContact O-CG 3.32Å; K19-L23 WeakPolarHBondContact O-CG 3.02Å; K19-L23 PolarHBondContact O-N 3.12Å; T20-L23 PolarHBondContact O-N 3.23Å; L23-T25 VanDerWaalsContact C-N 3.35Å; L23-T25 PolarHBondContact O-N 3.47Å; L23-L26 HydrophobicContact CD2-CD1 4.18Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 3.4Å; L23-N27 WeakPolarHBondContact O-CB 3.4Å; L23-N27 PolarHBondContact O-N 2.92Å; L23-A39 HydrophobicContact CD2-CB 4.18Å
24K65.2Low59.5Low120 Ų12077 Ų7752%0.52239%0.393SS..Hα-helixtrans-60.5-44.9172.7-175.2176.8174.3-176.80111.1T20 F22 N27 E28T20-K24 WeakPolarHBondContact O-CB 3.43Å; T20-K24 PolarHBondContact O-N 3.36Å; F22-K24 VanDerWaalsContact C-N 3.29Å; F22-K24 PolarHBondContact O-N 3.2Å; K24-N27 PolarHBondContact O-N 3.06Å; K24-E28 WeakPolarHBondContact CE-OE1 3.46Å; K24-E28 HydrophobicContact CG-CG 4.37Å; K24-E28 WeakPolarHBondContact CG-OE1 3.48Å; K24-E28 WeakPolarHBondContact O-CB 3.27Å; K24-E28 VanDerWaalsContact O-CG 3.29Å; K24-E28 WeakPolarHBondContact O-CG 3.38Å; K24-E28 PolarHBondContact O-N 3.41Å
25T61.2Low59.1Low12 Ų1274.9 Ų74.97%0.07438%0.381CS..Hα-helixtrans-64.2-40.5176.6-52.20000111.6F3 L21 F22 L23 N27 Q29F3-T25 HydrophobicContact CB-CG2 4.02Å; F3-T25 HydrophobicContact CD2-CG2 4.28Å; L21-T25 WeakPolarHBondContact O-CB 3.32Å; L21-T25 PolarHBondContact O-N 3.33Å; L21-T25 PolarHBondContact O-OG1 3.22Å; F22-T25 CarbonylContact O-C 3.58Å; F22-T25 WeakPolarHBondContact O-CB 3.26Å; F22-T25 PolarHBondContact O-N 3.45Å; F22-T25 VanDerWaalsContact O-N 3.14Å; L23-T25 VanDerWaalsContact C-N 3.35Å; L23-T25 PolarHBondContact O-N 3.47Å; T25-N27 VanDerWaalsContact C-N 3.34Å; T25-N27 PolarHBondContact O-N 3.26Å; T25-Q29 HydrophobicContact CG2-CG 4.32Å; T25-Q29 WeakPolarHBondContact O-CB 3.49Å; T25-Q29 WeakPolarHBondContact O-CG 3.44Å; T25-Q29 PolarHBondContact O-N 2.85Å
26L54.6Low58.1Low4 Ų475.8 Ų75.82%0.02139%0.391CS..Hα-helixtrans-57.7-46.3173.2-87.9173000111.7F3 F22 L23 R30 L31 A39F3-L26 HydrophobicContact CD2-CD2 4.33Å; F3-L26 HydrophobicContact CE2-CD2 3.43Å; F3-L26 VanDerWaalsContact CE2-CD2 3.43Å; F3-L26 HydrophobicContact CE2-CG 3.77Å; F3-L26 HydrophobicContact CZ-CD2 4.08Å; F22-L26 HydrophobicContact CD1-CD1 3.84Å; F22-L26 HydrophobicContact CD1-CG 4.39Å; F22-L26 HydrophobicContact CE1-CD1 3.21Å; F22-L26 HydrophobicContact CE1-CG 3.87Å; F22-L26 HydrophobicContact CZ-CD1 3.71Å; F22-L26 HydrophobicContact CZ-CD2 4.41Å; F22-L26 HydrophobicContact CZ-CG 3.95Å; F22-L26 PolarHBondContact O-N 2.8Å; L23-L26 HydrophobicContact CD2-CD1 4.18Å; L23-L26 WeakPolarHBondContact O-CB 3.49Å; L23-L26 PolarHBondContact O-N 3.4Å; L26-R30 PolarHBondContact O-N 2.84Å; L26-L31 HydrophobicContact CD2-CB 3.75Å; L26-L31 HydrophobicContact CD2-CD1 4.27Å; L26-L31 WeakPolarHBondContact O-CB 3.23Å; L26-L31 PolarHBondContact O-N 2.69Å; L26-A39 HydrophobicContact CD1-CB 4.09Å
27N60.3Low57.1Low88 Ų8875.7 Ų75.747%0.47139%0.39SS..Hα-helixtrans-71-44.1-178.3-166.41.6000111.9L23 K24 T25 Q29 R30 E32L23-N27 WeakPolarHBondContact O-CB 3.4Å; L23-N27 PolarHBondContact O-N 2.92Å; K24-N27 PolarHBondContact O-N 3.06Å; T25-N27 VanDerWaalsContact C-N 3.34Å; T25-N27 PolarHBondContact O-N 3.26Å; N27-Q29 VanDerWaalsContact C-N 3.26Å; N27-Q29 PolarHBondContact O-N 3.1Å; N27-R30 WeakPolarHBondContact O-CA 3.09Å; N27-R30 PolarHBondContact O-N 3.09Å; N27-E32 HydrophobicContact CB-CG 4.48Å; N27-E32 WeakPolarHBondContact CB-OE1 3.16Å; N27-E32 PolarHBondContact ND2-OE1 3.23Å
28E61.7Low55.7Low121 Ų12169.7 Ų69.757%0.56536%0.358SS*.Hα-helixtrans-59.1-38.3175.9-76.4175.6176.900112K24 R30K24-E28 WeakPolarHBondContact CE-OE1 3.46Å; K24-E28 HydrophobicContact CG-CG 4.37Å; K24-E28 WeakPolarHBondContact CG-OE1 3.48Å; K24-E28 WeakPolarHBondContact O-CB 3.27Å; K24-E28 VanDerWaalsContact O-CG 3.29Å; K24-E28 WeakPolarHBondContact O-CG 3.38Å; K24-E28 PolarHBondContact O-N 3.41Å; E28-R30 PolarHBondContact O-N 3.26Å
29Q58.9Low54.8Low106 Ų10668.6 Ų68.650%0.49536%0.357SS..THydrogen-bonded Turntrans-79.70.9174.8-61.8-64-43.200113.2T25 N27 L31T25-Q29 HydrophobicContact CG2-CG 4.32Å; T25-Q29 WeakPolarHBondContact O-CB 3.49Å; T25-Q29 WeakPolarHBondContact O-CG 3.44Å; T25-Q29 PolarHBondContact O-N 2.85Å; N27-Q29 VanDerWaalsContact C-N 3.26Å; N27-Q29 PolarHBondContact O-N 3.1Å; Q29-L31 HydrophobicContact CB-CD1 3.54Å; Q29-L31 HydrophobicContact CB-CG 3.59Å; Q29-L31 HydrophobicContact CG-CD1 4.33Å; Q29-L31 PolarHBondContact O-N 3.19Å
30R58.9Low53.9Low228 Ų22872.6 Ų72.686%0.8638%0.378SS*.THydrogen-bonded Turntrans52.935.9-175.8-63.3-177.2172.7-172.5-1.9113.5L26 N27 E28L26-R30 PolarHBondContact O-N 2.84Å; N27-R30 WeakPolarHBondContact O-CA 3.09Å; N27-R30 PolarHBondContact O-N 3.09Å; E28-R30 PolarHBondContact O-N 3.26Å
31L50.5Low52.7Low25 Ų2569.3 Ų69.313%0.13136%0.358CS..  trans-87.1-11.6-176.3-66.5175.4000112.4F3 L26 Q29 G33 E34 F35 Y60F3-L31 HydrophobicContact CD2-CD1 4.32Å; F3-L31 HydrophobicContact CE2-CD1 4.43Å; L26-L31 HydrophobicContact CD2-CB 3.75Å; L26-L31 HydrophobicContact CD2-CD1 4.27Å; L26-L31 WeakPolarHBondContact O-CB 3.23Å; L26-L31 PolarHBondContact O-N 2.69Å; Q29-L31 HydrophobicContact CB-CD1 3.54Å; Q29-L31 HydrophobicContact CB-CG 3.59Å; Q29-L31 HydrophobicContact CG-CD1 4.33Å; Q29-L31 PolarHBondContact O-N 3.19Å; L31-G33 VanDerWaalsContact C-N 3.33Å; L31-G33 PolarHBondContact O-N 2.88Å; L31-G33 VanDerWaalsContact O-N 3.14Å; L31-E34 PolarHBondContact O-N 3Å; L31-F35 HydrophobicContact CB-CD2 3.67Å; L31-F35 HydrophobicContact CB-CE2 4.3Å; L31-F35 HydrophobicContact CD2-CD2 3.83Å; L31-F35 HydrophobicContact CD2-CE2 3.53Å; L31-F35 HydrophobicContact CG-CD2 4.25Å; L31-F35 HydrophobicContact CG-CE2 4.42Å; L31-F35 WeakPolarHBondContact O-CB 3.47Å; L31-F35 WeakPolarHBondContact O-CD2 3.3Å; L31-F35 PolarHBondContact O-N 3.37Å; L31-F35 VanDerWaalsContact O-N 3.14Å; L31-Y60 HydrophobicContact CD1-CE2 4.38Å
32E50Low51.6Low98 Ų9865.8 Ų65.846%0.45834%0.339SS..THydrogen-bonded Turntrans-50.6-46.1-174.5-69-177.1172.600114N27 F35 C36N27-E32 HydrophobicContact CB-CG 4.48Å; N27-E32 WeakPolarHBondContact CB-OE1 3.16Å; N27-E32 PolarHBondContact ND2-OE1 3.23Å; E32-F35 CarbonylContact O-C 3.59Å; E32-F35 PolarHBondContact O-N 2.82Å; E32-C36 PolarHBondContact O-N 2.82Å; E32-C36 PolarHBondContact O-SG 3.37Å
33G49Very low50.7Low73 Ų7372.3 Ų72.375%0.75337%0.37SS*.THydrogen-bonded Turntrans-74.4-27.6-175.200000115.3L31L31-G33 VanDerWaalsContact C-N 3.33Å; L31-G33 PolarHBondContact O-N 2.88Å; L31-G33 VanDerWaalsContact O-N 3.14Å
34E46.4Very low49.8Very low94 Ų9475.3 Ų75.344%0.43939%0.386SS..THydrogen-bonded Turntrans-87.1-14.1176.4-76.8-174.5179.100112.1L31 K67L31-E34 PolarHBondContact O-N 3Å; E34-K67 IonicContact OE1-NZ 2.87Å; E34-K67 PolarHBondContact OE1-NZ 2.92Å; E34-K67 IonicContact OE2-NZ 2.84Å; E34-K67 PolarHBondContact OE2-NZ 2.96Å
35F46.5Very low48.6Very low15 Ų1570.7 Ų70.77%0.06637%0.368CS..  trans-140.827.4-163.1-55.9-70.4000114.2L31 E32 D37 I38 A39 Y60 K63L31-F35 HydrophobicContact CB-CD2 3.67Å; L31-F35 HydrophobicContact CB-CE2 4.3Å; L31-F35 HydrophobicContact CD2-CD2 3.83Å; L31-F35 HydrophobicContact CD2-CE2 3.53Å; L31-F35 HydrophobicContact CG-CD2 4.25Å; L31-F35 HydrophobicContact CG-CE2 4.42Å; L31-F35 WeakPolarHBondContact O-CB 3.47Å; L31-F35 WeakPolarHBondContact O-CD2 3.3Å; L31-F35 PolarHBondContact O-N 3.37Å; L31-F35 VanDerWaalsContact O-N 3.14Å; E32-F35 CarbonylContact O-C 3.59Å; E32-F35 PolarHBondContact O-N 2.82Å; F35-D37 PolarHBondContact O-N 3Å; F35-I38 HydrophobicContact CB-CB 4.44Å; F35-I38 HydrophobicContact CB-CD1 4.07Å; F35-I38 HydrophobicContact CB-CG1 4.34Å; F35-I38 HydrophobicContact CD1-CD1 3.89Å; F35-I38 HydrophobicContact CG-CD1 4.25Å; F35-I38 PolarHBondContact O-N 2.76Å; F35-A39 PolarHBondContact O-N 3.26Å; F35-Y60 AromaticContact CD1-CD2 3.82Å; F35-Y60 HydrophobicContact CD1-CD2 3.82Å; F35-Y60 HydrophobicContact CD2-CD2 4.43Å; F35-Y60 AromaticContact CE1-CD2 3.37Å; F35-Y60 HydrophobicContact CE1-CD2 3.37Å; F35-Y60 HydrophobicContact CE1-CE2 4.28Å; F35-Y60 HydrophobicContact CE1-CG 4.14Å; F35-Y60 HydrophobicContact CE2-CD2 4.05Å; F35-Y60 HydrophobicContact CE2-CE2 4.18Å; F35-Y60 HydrophobicContact CG-CD2 4.35Å; F35-Y60 AromaticContact CZ-CD2 3.49Å; F35-Y60 HydrophobicContact CZ-CD2 3.49Å; F35-Y60 VanDerWaalsContact CZ-CD2 3.49Å; F35-Y60 AromaticContact CZ-CE2 3.96Å; F35-Y60 HydrophobicContact CZ-CE2 3.96Å; F35-K63 HydrophobicContact CE1-CD 4.49Å
36C43.8Very low47.5Very low70 Ų7077.4 Ų77.447%0.47340%0.396SS..Hα-helixtrans-48-36.2174.9-63.60000112.1E32 I38 A39 I40E32-C36 PolarHBondContact O-N 2.82Å; E32-C36 PolarHBondContact O-SG 3.37Å; C36-I38 VanDerWaalsContact C-N 3.31Å; C36-I38 PolarHBondContact O-N 2.86Å; C36-A39 PolarHBondContact O-N 3.39Å; C36-I40 WeakPolarHBondContact O-CB 3.23Å; C36-I40 WeakPolarHBondContact O-CD1 3.24Å; C36-I40 WeakPolarHBondContact O-CG1 3.47Å; C36-I40 PolarHBondContact O-N 2.95Å
37D43.7Very low46.5Very low116 Ų11685 Ų8562%0.6243%0.43SS*.Hα-helixtrans-60.3-36.7177.2-59-28.2000112.7F35 V41F35-D37 PolarHBondContact O-N 3Å; D37-V41 VanDerWaalsContact O-CB 3.31Å; D37-V41 WeakPolarHBondContact O-CB 3.29Å; D37-V41 WeakPolarHBondContact O-CG2 3.48Å; D37-V41 PolarHBondContact O-N 3.42Å; D37-V41 VanDerWaalsContact O-N 3.12Å
38I41.5Very low45.3Very low8 Ų892 Ų924%0.04145%0.449CS..Hα-helixtrans-71.8-43.9178.4-60.9177000110.3F22 F35 C36 V41 V42 A56 Y60F22-I38 HydrophobicContact CE1-CG2 4.1Å; F22-I38 HydrophobicContact CZ-CG2 3.69Å; F35-I38 HydrophobicContact CB-CB 4.44Å; F35-I38 HydrophobicContact CB-CD1 4.07Å; F35-I38 HydrophobicContact CB-CG1 4.34Å; F35-I38 HydrophobicContact CD1-CD1 3.89Å; F35-I38 HydrophobicContact CG-CD1 4.25Å; F35-I38 PolarHBondContact O-N 2.76Å; C36-I38 VanDerWaalsContact C-N 3.31Å; C36-I38 PolarHBondContact O-N 2.86Å; I38-V41 PolarHBondContact O-N 3.08Å; I38-V42 HydrophobicContact CG2-CG2 4.48Å; I38-V42 WeakPolarHBondContact O-CG2 3.3Å; I38-V42 PolarHBondContact O-N 2.94Å; I38-A56 HydrophobicContact CD1-CB 4.37Å; I38-A56 HydrophobicContact CG1-CB 3.58Å; I38-Y60 HydrophobicContact CD1-CD2 4.47Å
39A43.5Very low44.1Very low21 Ų2186.8 Ų86.817%0.17443%0.426CS..Hα-helixtrans-61.7-46.7179.100000111.4L23 L26 F35 C36 V41 V42 E43L23-A39 HydrophobicContact CD2-CB 4.18Å; L26-A39 HydrophobicContact CD1-CB 4.09Å; F35-A39 PolarHBondContact O-N 3.26Å; C36-A39 PolarHBondContact O-N 3.39Å; A39-V41 PolarHBondContact O-N 3.08Å; A39-V42 PolarHBondContact O-N 2.85Å; A39-V42 VanDerWaalsContact O-N 3.1Å; A39-E43 PolarHBondContact O-N 3.49Å
40I42.8Very low43.1Very low103 Ų10386.6 Ų86.653%0.52843%0.425SS..Hα-helixtrans-55.7-44.4174.4-68.1164.1000110.1C36 V42 E43 D44C36-I40 WeakPolarHBondContact O-CB 3.23Å; C36-I40 WeakPolarHBondContact O-CD1 3.24Å; C36-I40 WeakPolarHBondContact O-CG1 3.47Å; C36-I40 PolarHBondContact O-N 2.95Å; I40-V42 VanDerWaalsContact C-N 3.34Å; I40-V42 PolarHBondContact O-N 3.14Å; I40-E43 PolarHBondContact O-N 3.19Å; I40-D44 PolarHBondContact O-N 3.15Å
41V39.2Very low42.1Very low19 Ų1984 Ų8412%0.11542%0.416CS..Hα-helixtrans-67.6-33.7-179.3172.70000112D37 I38 A39 D44 V45 A49 C52 V53D37-V41 VanDerWaalsContact O-CB 3.31Å; D37-V41 WeakPolarHBondContact O-CB 3.29Å; D37-V41 WeakPolarHBondContact O-CG2 3.48Å; D37-V41 PolarHBondContact O-N 3.42Å; D37-V41 VanDerWaalsContact O-N 3.12Å; I38-V41 PolarHBondContact O-N 3.08Å; A39-V41 PolarHBondContact O-N 3.08Å; V41-D44 CarbonylContact O-C 3.58Å; V41-D44 PolarHBondContact O-N 2.95Å; V41-V45 WeakPolarHBondContact O-CG2 3.45Å; V41-V45 PolarHBondContact O-N 3.41Å; V41-A49 HydrophobicContact CG1-CB 3.96Å; V41-C52 HydrophobicContact CG2-CB 3.97Å; V41-V53 HydrophobicContact CG1-CB 4.16Å; V41-V53 HydrophobicContact CG1-CG2 3.17Å
42V42Very low41.6Very low5 Ų585.7 Ų85.73%0.0343%0.429CS..Hα-helixtrans-73-36.3177.71730000113T10 K19 F22 I38 A39 I40 D44 V45T10-V42 HydrophobicContact CG2-CG1 3.65Å; K19-V42 HydrophobicContact CG-CG1 4.12Å; F22-V42 HydrophobicContact CD1-CB 4Å; F22-V42 HydrophobicContact CD1-CG1 3.7Å; F22-V42 HydrophobicContact CD1-CG2 3.77Å; F22-V42 HydrophobicContact CE1-CB 3.87Å; F22-V42 HydrophobicContact CE1-CG1 4.11Å; F22-V42 HydrophobicContact CE1-CG2 3.32Å; F22-V42 HydrophobicContact CZ-CG2 3.98Å; I38-V42 HydrophobicContact CG2-CG2 4.48Å; I38-V42 WeakPolarHBondContact O-CG2 3.3Å; I38-V42 PolarHBondContact O-N 2.94Å; A39-V42 PolarHBondContact O-N 2.85Å; A39-V42 VanDerWaalsContact O-N 3.1Å; I40-V42 VanDerWaalsContact C-N 3.34Å; I40-V42 PolarHBondContact O-N 3.14Å; V42-D44 PolarHBondContact O-N 3.47Å; V42-V45 VanDerWaalsContact CA-CG2 3.5Å; V42-V45 HydrophobicContact CB-CG2 4.49Å; V42-V45 VanDerWaalsContact O-CG2 3.28Å; V42-V45 WeakPolarHBondContact O-CG2 3.47Å
43E44.1Very low41.1Very low137 Ų13782 Ų8264%0.6441%0.413SS*.Hα-helixtrans-62.1-35.8170.9-70.6-167.3162.300111.4A39 I40A39-E43 PolarHBondContact O-N 3.49Å; I40-E43 PolarHBondContact O-N 3.19Å
44D42.8Very low40.9Very low119 Ų11980.1 Ų80.164%0.63639%0.386SS*.THydrogen-bonded Turntrans-97.214.2-172.9-128.8-0.5000115I40 V41 V42 K46I40-D44 PolarHBondContact O-N 3.15Å; V41-D44 CarbonylContact O-C 3.58Å; V41-D44 PolarHBondContact O-N 2.95Å; V42-D44 PolarHBondContact O-N 3.47Å; D44-K46 PolarHBondContact O-N 3.22Å
45V38.8Very low40.7Very low23 Ų2377 Ų7714%0.13938%0.376CS..THydrogen-bonded Turntrans-60.6-2-178.1-177.30000113.6V41 V42 F47V41-V45 WeakPolarHBondContact O-CG2 3.45Å; V41-V45 PolarHBondContact O-N 3.41Å; V42-V45 VanDerWaalsContact CA-CG2 3.5Å; V42-V45 HydrophobicContact CB-CG2 4.49Å; V42-V45 VanDerWaalsContact O-CG2 3.28Å; V42-V45 WeakPolarHBondContact O-CG2 3.47Å; V45-F47 PolarHBondContact O-N 2.8Å; V45-F47 VanDerWaalsContact O-N 3.08Å
46K38.6Very low40.5Very low153 Ų15377 Ų7767%0.66538%0.379SS*.THydrogen-bonded Turntrans-57.7-27.4179.7-77.5-172.2174.8177.30113.4D44D44-K46 PolarHBondContact O-N 3.22Å
47F33.2Very low40.5Very low164 Ų16474.1 Ų74.172%0.71936%0.359SS*.SBendtrans-150.4127.8178.8-79.1-90.6000112V45 A49V45-F47 PolarHBondContact O-N 2.8Å; V45-F47 VanDerWaalsContact O-N 3.08Å; F47-A49 PolarHBondContact O-N 3.34Å
48R34.7Very low40.5Very low235 Ų23570.2 Ų70.289%0.88734%0.341SS*.  trans64.26.4158.1-81.4174.6165.1170-3.5118.6H50R48-H50 PolarHBondContact O-N 3.25Å
49A36.7Very low40.7Very low10 Ų1073.1 Ų73.18%0.08336%0.359CS..THydrogen-bonded Turntrans-68.33.2-174.500000115.8V41 F47 R51 C52 V53V41-A49 HydrophobicContact CG1-CB 3.96Å; F47-A49 PolarHBondContact O-N 3.34Å; A49-R51 VanDerWaalsContact C-N 3.27Å; A49-R51 PolarHBondContact O-N 2.8Å; A49-R51 VanDerWaalsContact O-N 3.15Å; A49-C52 WeakPolarHBondContact CA-SG 3.42Å; A49-C52 PolarHBondContact O-N 3.23Å; A49-C52 VanDerWaalsContact O-N 3.14Å; A49-C52 PolarHBondContact O-SG 3.21Å; A49-V53 HydrophobicContact CB-CG2 4.11Å; A49-V53 WeakPolarHBondContact O-CB 2.94Å; A49-V53 VanDerWaalsContact O-CG2 3.24Å; A49-V53 WeakPolarHBondContact O-CG2 3.44Å; A49-V53 PolarHBondContact O-N 2.88Å
50H39.1Very low40.7Very low103 Ų10372.9 Ų72.948%0.47735%0.354SS..Hα-helixtrans-48.8-44.5179-75.7-106.7000112.9R48 L54 E88R48-H50 PolarHBondContact O-N 3.25Å; H50-L54 WeakPolarHBondContact O-CB 3.35Å; H50-L54 WeakPolarHBondContact O-CD1 3.26Å; H50-L54 WeakPolarHBondContact O-CG 3.26Å; H50-L54 PolarHBondContact O-N 3.38Å; H50-E88 IonicContact CG-OE1 3.57Å; H50-E88 IonicContact CG-OE2 2.85Å; H50-E88 IonicContact ND1-OE1 3.93Å; H50-E88 PolarHBondContact ND1-OE1 2.77Å; H50-E88 IonicContact ND1-OE2 2.74Å; H50-E88 PolarHBondContact ND1-OE2 3.18Å
51R37.8Very low40.7Very low173 Ų17369.8 Ų69.865%0.65334%0.336SS*.Hα-helixtrans-69.4-41.4-179.4-73.4-179.685.1156.75.9113.5A49 A55A49-R51 VanDerWaalsContact C-N 3.27Å; A49-R51 PolarHBondContact O-N 2.8Å; A49-R51 VanDerWaalsContact O-N 3.15Å; R51-A55 VanDerWaalsContact O-CB 3.29Å; R51-A55 WeakPolarHBondContact O-CB 3.21Å; R51-A55 PolarHBondContact O-N 2.76Å
52C39.1Very low41Very low61 Ų6175.1 Ų75.141%0.41236%0.358SS..Hα-helixtrans-76.4-39.5-179.437.10000111.7V41 A49 L54 A55 A56V41-C52 HydrophobicContact CG2-CB 3.97Å; A49-C52 WeakPolarHBondContact CA-SG 3.42Å; A49-C52 PolarHBondContact O-N 3.23Å; A49-C52 VanDerWaalsContact O-N 3.14Å; A49-C52 PolarHBondContact O-SG 3.21Å; C52-L54 PolarHBondContact O-N 3.37Å; C52-A55 PolarHBondContact O-N 2.92Å; C52-A56 VanDerWaalsContact O-CB 3.23Å; C52-A56 WeakPolarHBondContact O-CB 3.48Å; C52-A56 PolarHBondContact O-N 2.88Å
53V40.8Very low41.2Very low19 Ų1979.7 Ų79.712%0.11538%0.378CS..Hα-helixtrans-56.1-52170.6177.60000109.4I11 V41 A49 A55 A56 C57I11-V53 HydrophobicContact CD1-CG1 3.89Å; V41-V53 HydrophobicContact CG1-CB 4.16Å; V41-V53 HydrophobicContact CG1-CG2 3.17Å; A49-V53 HydrophobicContact CB-CG2 4.11Å; A49-V53 WeakPolarHBondContact O-CB 2.94Å; A49-V53 VanDerWaalsContact O-CG2 3.24Å; A49-V53 WeakPolarHBondContact O-CG2 3.44Å; A49-V53 PolarHBondContact O-N 2.88Å; V53-A55 PolarHBondContact O-N 3.34Å; V53-A56 PolarHBondContact O-N 3.18Å; V53-C57 VanDerWaalsContact O-CB 3.26Å; V53-C57 WeakPolarHBondContact O-CB 3.22Å; V53-C57 PolarHBondContact O-N 2.91Å; V53-C57 PolarHBondContact O-SG 3.49Å
54L43Very low41Very low35 Ų3575.3 Ų75.318%0.18336%0.358CS..Hα-helixtrans-63.8-39.8-178.4-70.9170.5000112.7H50 C52 S58 I85 E88 V89H50-L54 WeakPolarHBondContact O-CB 3.35Å; H50-L54 WeakPolarHBondContact O-CD1 3.26Å; H50-L54 WeakPolarHBondContact O-CG 3.26Å; H50-L54 PolarHBondContact O-N 3.38Å; C52-L54 PolarHBondContact O-N 3.37Å; L54-S58 VanDerWaalsContact O-CB 3.28Å; L54-S58 WeakPolarHBondContact O-CB 3.3Å; L54-S58 PolarHBondContact O-N 3.46Å; L54-I85 HydrophobicContact CD2-CG2 4.06Å; L54-E88 HydrophobicContact CD1-CB 3.7Å; L54-V89 HydrophobicContact CD2-CG2 4.43Å
55A42.7Very low40.9Very low29 Ų2973 Ų7324%0.2434%0.343CS..Hα-helixtrans-66-41.617600000111.9R51 C52 V53 S58 T59R51-A55 VanDerWaalsContact O-CB 3.29Å; R51-A55 WeakPolarHBondContact O-CB 3.21Å; R51-A55 PolarHBondContact O-N 2.76Å; C52-A55 PolarHBondContact O-N 2.92Å; V53-A55 PolarHBondContact O-N 3.34Å; A55-S58 PolarHBondContact O-N 3.17Å; A55-T59 WeakPolarHBondContact O-CB 3.4Å; A55-T59 PolarHBondContact O-N 3.42Å; A55-T59 PolarHBondContact O-OG1 3.41Å
56A43.1Very low41.1Very low15 Ų1580.6 Ų80.612%0.12437%0.374CS..Hα-helixtrans-68.6-42.3177.400000111.1I38 C52 V53 T59 Y60I38-A56 HydrophobicContact CD1-CB 4.37Å; I38-A56 HydrophobicContact CG1-CB 3.58Å; C52-A56 VanDerWaalsContact O-CB 3.23Å; C52-A56 WeakPolarHBondContact O-CB 3.48Å; C52-A56 PolarHBondContact O-N 2.88Å; V53-A56 PolarHBondContact O-N 3.18Å; A56-T59 PolarHBondContact O-N 2.91Å; A56-Y60 WeakPolarHBondContact O-CB 3.47Å; A56-Y60 PolarHBondContact O-N 2.73Å
57C43.8Very low41.1Very low9 Ų979.8 Ų79.86%0.06137%0.37CS..Hα-helixtrans-57.6-48.3170-72.90000111.2M7 V53 T59 Y60 F61M7-C57 VanDerWaalsContact SD-SG 3.67Å; V53-C57 VanDerWaalsContact O-CB 3.26Å; V53-C57 WeakPolarHBondContact O-CB 3.22Å; V53-C57 PolarHBondContact O-N 2.91Å; V53-C57 PolarHBondContact O-SG 3.49Å; C57-T59 VanDerWaalsContact C-N 3.29Å; C57-T59 PolarHBondContact O-N 2.87Å; C57-Y60 WeakPolarHBondContact O-CB 3.38Å; C57-Y60 PolarHBondContact O-N 3.08Å; C57-F61 HydrophobicContact CB-CD2 4.34Å; C57-F61 HydrophobicContact CB-CE2 4.13Å; C57-F61 WeakPolarHBondContact O-CB 2.9Å; C57-F61 WeakPolarHBondContact O-CD2 3.32Å; C57-F61 WeakPolarHBondContact O-CG 3.24Å; C57-F61 PolarHBondContact O-N 3.3Å
58S42.9Very low41.3Very low34 Ų3476.7 Ų76.724%0.23836%0.361CS..Hα-helixtrans-58.7-41.7177.4-1750000111.7L54 A55 F61 K62L54-S58 VanDerWaalsContact O-CB 3.28Å; L54-S58 WeakPolarHBondContact O-CB 3.3Å; L54-S58 PolarHBondContact O-N 3.46Å; A55-S58 PolarHBondContact O-N 3.17Å; S58-F61 PolarHBondContact O-N 2.95Å; S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 VanDerWaalsContact O-CG 3.3Å; S58-K62 WeakPolarHBondContact O-CG 3.3Å; S58-K62 PolarHBondContact O-N 2.68Å
59T46.5Very low41.5Very low68 Ų6874 Ų7442%0.41736%0.358SS..Hα-helixtrans-70.2-40.3178.6-50.50000111.4A55 A56 C57 K62 K63A55-T59 WeakPolarHBondContact O-CB 3.4Å; A55-T59 PolarHBondContact O-N 3.42Å; A55-T59 PolarHBondContact O-OG1 3.41Å; A56-T59 PolarHBondContact O-N 2.91Å; C57-T59 VanDerWaalsContact C-N 3.29Å; C57-T59 PolarHBondContact O-N 2.87Å; T59-K62 PolarHBondContact O-N 3.21Å; T59-K63 WeakPolarHBondContact O-CB 3.29Å; T59-K63 WeakPolarHBondContact O-CG 3.31Å; T59-K63 PolarHBondContact O-N 2.86Å
60Y44Very low41.3Very low17 Ų1775.3 Ų75.37%0.06737%0.365CS..Hα-helixtrans-57.7-51.3171.3171.5-90.3000110.8F3 F4 L31 F35 I38 A56 C57 K62 K63 L64F3-Y60 HydrophobicContact CE1-CE1 4.29Å; F3-Y60 HydrophobicContact CE1-CE2 4.4Å; F4-Y60 HydrophobicContact CE1-CD1 4.36Å; F4-Y60 AromaticContact CE1-CE1 3.78Å; F4-Y60 HydrophobicContact CE1-CE1 3.78Å; F4-Y60 AromaticContact CZ-CE1 3.66Å; F4-Y60 HydrophobicContact CZ-CE1 3.66Å; L31-Y60 HydrophobicContact CD1-CE2 4.38Å; F35-Y60 AromaticContact CD1-CD2 3.82Å; F35-Y60 HydrophobicContact CD1-CD2 3.82Å; F35-Y60 HydrophobicContact CD2-CD2 4.43Å; F35-Y60 AromaticContact CE1-CD2 3.37Å; F35-Y60 HydrophobicContact CE1-CD2 3.37Å; F35-Y60 HydrophobicContact CE1-CE2 4.28Å; F35-Y60 HydrophobicContact CE1-CG 4.14Å; F35-Y60 HydrophobicContact CE2-CD2 4.05Å; F35-Y60 HydrophobicContact CE2-CE2 4.18Å; F35-Y60 HydrophobicContact CG-CD2 4.35Å; F35-Y60 AromaticContact CZ-CD2 3.49Å; F35-Y60 HydrophobicContact CZ-CD2 3.49Å; F35-Y60 VanDerWaalsContact CZ-CD2 3.49Å; F35-Y60 AromaticContact CZ-CE2 3.96Å; F35-Y60 HydrophobicContact CZ-CE2 3.96Å; I38-Y60 HydrophobicContact CD1-CD2 4.47Å; A56-Y60 WeakPolarHBondContact O-CB 3.47Å; A56-Y60 PolarHBondContact O-N 2.73Å; C57-Y60 WeakPolarHBondContact O-CB 3.38Å; C57-Y60 PolarHBondContact O-N 3.08Å; Y60-K62 PolarHBondContact O-N 2.82Å; Y60-K63 PolarHBondContact O-N 2.9Å; Y60-L64 HydrophobicContact CE1-CB 4.34Å; Y60-L64 HydrophobicContact CE1-CD2 3.73Å; Y60-L64 HydrophobicContact CE1-CG 4.49Å; Y60-L64 VanDerWaalsContact O-CB 3.22Å; Y60-L64 WeakPolarHBondContact O-CB 3.46Å; Y60-L64 PolarHBondContact O-N 3.27Å
61F42.1Very low41.1Very low37 Ų3775.8 Ų75.816%0.16237%0.371CS..Hα-helixtrans-58.5-47.8177.7-75.7-60.7000111.3F4 C57 S58 K63 L64 F65 I78F4-F61 HydrophobicContact CD1-CE1 4.37Å; F4-F61 HydrophobicContact CD1-CZ 4.08Å; F4-F61 HydrophobicContact CE1-CD1 4.38Å; F4-F61 AromaticContact CE1-CE1 3.31Å; F4-F61 HydrophobicContact CE1-CE1 3.31Å; F4-F61 HydrophobicContact CE1-CE2 4.42Å; F4-F61 AromaticContact CE1-CZ 3.33Å; F4-F61 HydrophobicContact CE1-CZ 3.33Å; F4-F61 HydrophobicContact CZ-CD1 4.31Å; F4-F61 AromaticContact CZ-CE1 3.42Å; F4-F61 HydrophobicContact CZ-CE1 3.42Å; F4-F61 VanDerWaalsContact CZ-CE1 3.42Å; F4-F61 AromaticContact CZ-CZ 3.96Å; F4-F61 HydrophobicContact CZ-CZ 3.96Å; C57-F61 HydrophobicContact CB-CD2 4.34Å; C57-F61 HydrophobicContact CB-CE2 4.13Å; C57-F61 WeakPolarHBondContact O-CB 2.9Å; C57-F61 WeakPolarHBondContact O-CD2 3.32Å; C57-F61 WeakPolarHBondContact O-CG 3.24Å; C57-F61 PolarHBondContact O-N 3.3Å; S58-F61 PolarHBondContact O-N 2.95Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-K63 PolarHBondContact O-N 3.12Å; F61-L64 PolarHBondContact O-N 3.27Å; F61-F65 HydrophobicContact CB-CD2 4.12Å; F61-F65 HydrophobicContact CB-CE2 3.79Å; F61-F65 HydrophobicContact CD1-CE2 4.04Å; F61-F65 HydrophobicContact CD1-CZ 4.16Å; F61-F65 HydrophobicContact CG-CE2 4.3Å; F61-F65 WeakPolarHBondContact O-CB 3.07Å; F61-F65 WeakPolarHBondContact O-CD2 3.46Å; F61-F65 VanDerWaalsContact O-CG 3.24Å; F61-F65 WeakPolarHBondContact O-CG 3.45Å; F61-F65 PolarHBondContact O-N 3.36Å; F61-I78 HydrophobicContact CE1-CD1 3.76Å; F61-I78 HydrophobicContact CZ-CD1 4.29Å
62K45.8Very low40.9Very low131 Ų13171.8 Ų71.857%0.5737%0.37SS*.Hα-helixtrans-57.7-42.6176.3-74.9175.6-176.8179.90112.8S58 T59 Y60 K66S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 VanDerWaalsContact O-CG 3.3Å; S58-K62 WeakPolarHBondContact O-CG 3.3Å; S58-K62 PolarHBondContact O-N 2.68Å; T59-K62 PolarHBondContact O-N 3.21Å; Y60-K62 PolarHBondContact O-N 2.82Å; K62-K66 WeakPolarHBondContact O-CB 3.44Å; K62-K66 PolarHBondContact O-N 2.88Å
63K46.4Very low40.8Very low102 Ų10272.5 Ų72.544%0.44338%0.375SS..Hα-helixtrans-72.9-44.1179.3-75.1-178.8-178.8177.90112.1F35 T59 Y60 F61 K66 K67F35-K63 HydrophobicContact CE1-CD 4.49Å; T59-K63 WeakPolarHBondContact O-CB 3.29Å; T59-K63 WeakPolarHBondContact O-CG 3.31Å; T59-K63 PolarHBondContact O-N 2.86Å; Y60-K63 PolarHBondContact O-N 2.9Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-K63 PolarHBondContact O-N 3.12Å; K63-K66 WeakPolarHBondContact O-CB 3.34Å; K63-K66 PolarHBondContact O-N 3.42Å; K63-K67 WeakPolarHBondContact O-CB 3.37Å; K63-K67 PolarHBondContact O-N 2.88Å
64L40.1Very low40.2Very low45 Ų4574.6 Ų74.624%0.23639%0.391CS..Hα-helixtrans-61.7-47178.9-173.475.7000110.7F4 Y60 F61 K66 K67 L68F4-L64 HydrophobicContact CZ-CD2 4.48Å; Y60-L64 HydrophobicContact CE1-CB 4.34Å; Y60-L64 HydrophobicContact CE1-CD2 3.73Å; Y60-L64 HydrophobicContact CE1-CG 4.49Å; Y60-L64 VanDerWaalsContact O-CB 3.22Å; Y60-L64 WeakPolarHBondContact O-CB 3.46Å; Y60-L64 PolarHBondContact O-N 3.27Å; F61-L64 PolarHBondContact O-N 3.27Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.49Å; L64-K67 PolarHBondContact O-N 2.88Å; L64-K67 VanDerWaalsContact O-N 3.12Å; L64-L68 HydrophobicContact CD1-CD1 3.94Å; L64-L68 HydrophobicContact CD1-CG 4.17Å; L64-L68 HydrophobicContact CD2-CD1 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.67Å; L64-L68 HydrophobicContact CG-CG 4.22Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.24Å
65F38.9Very low39.5Very low70 Ų7077.4 Ų77.431%0.30741%0.41SS..Hα-helixtrans-61.1-37.4175.3-68.9-48.5000111.9F61 V70F61-F65 HydrophobicContact CB-CD2 4.12Å; F61-F65 HydrophobicContact CB-CE2 3.79Å; F61-F65 HydrophobicContact CD1-CE2 4.04Å; F61-F65 HydrophobicContact CD1-CZ 4.16Å; F61-F65 HydrophobicContact CG-CE2 4.3Å; F61-F65 WeakPolarHBondContact O-CB 3.07Å; F61-F65 WeakPolarHBondContact O-CD2 3.46Å; F61-F65 VanDerWaalsContact O-CG 3.24Å; F61-F65 WeakPolarHBondContact O-CG 3.45Å; F61-F65 PolarHBondContact O-N 3.36Å; F65-V70 HydrophobicContact CD1-CG1 4.31Å
66K43.4Very low38.8Very low183 Ų18380.1 Ų80.180%0.79642%0.419SS*.Hα-helixtrans-67.6-35174.7-164.3178.5-176.5-177.30113.1K62 K63 L64K62-K66 WeakPolarHBondContact O-CB 3.44Å; K62-K66 PolarHBondContact O-N 2.88Å; K63-K66 WeakPolarHBondContact O-CB 3.34Å; K63-K66 PolarHBondContact O-N 3.42Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.49Å
67K39.9Very low38.1Very low136 Ų13687.9 Ų87.959%0.59145%0.453SS*.Hα-helixtrans-86.8-33.6-172.5-159.5177.4-170.3175.80113.3E34 K63 L64 E69E34-K67 IonicContact OE1-NZ 2.87Å; E34-K67 PolarHBondContact OE1-NZ 2.92Å; E34-K67 IonicContact OE2-NZ 2.84Å; E34-K67 PolarHBondContact OE2-NZ 2.96Å; K63-K67 WeakPolarHBondContact O-CB 3.37Å; K63-K67 PolarHBondContact O-N 2.88Å; L64-K67 PolarHBondContact O-N 2.88Å; L64-K67 VanDerWaalsContact O-N 3.12Å; K67-E69 PolarHBondContact O-N 2.84Å
68L36.1Very low37.3Very low98 Ų9889.7 Ų89.751%0.51346%0.461SS..THydrogen-bonded Turntrans-74-4.1178.6-73173.5000112.9L64 V70L64-L68 HydrophobicContact CD1-CD1 3.94Å; L64-L68 HydrophobicContact CD1-CG 4.17Å; L64-L68 HydrophobicContact CD2-CD1 4.11Å; L64-L68 HydrophobicContact CG-CD1 3.67Å; L64-L68 HydrophobicContact CG-CG 4.22Å; L64-L68 WeakPolarHBondContact O-CB 3.47Å; L64-L68 WeakPolarHBondContact O-CG 3.33Å; L64-L68 PolarHBondContact O-N 3.24Å; L68-V70 HydrophobicContact CB-CB 3.81Å; L68-V70 HydrophobicContact CB-CG2 3.48Å; L68-V70 VanDerWaalsContact CB-CG2 3.48Å; L68-V70 HydrophobicContact CD1-CG2 4.24Å; L68-V70 HydrophobicContact CG-CG2 4.45Å; L68-V70 PolarHBondContact O-N 3.02Å
69E39.5Very low36.6Very low179 Ų17996.1 Ų96.184%0.83649%0.493SS*.THydrogen-bonded Turntrans46.221.2-165.2-64.4-178.2164.400111.9K67 D71K67-E69 PolarHBondContact O-N 2.84Å; E69-D71 PolarHBondContact O-N 3Å
70V32.7Very low36Very low38 Ų3895.9 Ų95.923%0.2349%0.486CS..  trans-74.390172.3165.20000102.3F65 L68 S72 S74F65-V70 HydrophobicContact CD1-CG1 4.31Å; L68-V70 HydrophobicContact CB-CB 3.81Å; L68-V70 HydrophobicContact CB-CG2 3.48Å; L68-V70 VanDerWaalsContact CB-CG2 3.48Å; L68-V70 HydrophobicContact CD1-CG2 4.24Å; L68-V70 HydrophobicContact CG-CG2 4.45Å; L68-V70 PolarHBondContact O-N 3.02Å; V70-S72 PolarHBondContact O-N 3.3Å; V70-S74 WeakPolarHBondContact CG1-OG 3.07Å
71D34.4Very low35.4Very low112 Ų11298.5 Ų98.560%0.59950%0.501SS*.  trans-39.1130.9160.4-139.7-9.7000105.9E69 S73 S74E69-D71 PolarHBondContact O-N 3Å; D71-S73 WeakPolarHBondContact O-CA 3.22Å; D71-S73 PolarHBondContact O-N 3.19Å; D71-S74 PolarHBondContact O-N 3.28Å; D71-S74 PolarHBondContact O-OG 2.83Å
72S33.8Very low35.1Very low89 Ų89105.5 Ų105.562%0.62253%0.526SS*.THydrogen-bonded Turntrans-54-4.3-177.639.40000113.7V70 V75V70-S72 PolarHBondContact O-N 3.3Å; S72-V75 WeakPolarHBondContact O-CG2 3.44Å
73S36.8Very low34.8Very low76 Ų76103.7 Ų103.753%0.53153%0.53SS..THydrogen-bonded Turntrans-59.6-28.3166.4-44.60000116.1D71D71-S73 WeakPolarHBondContact O-CA 3.22Å; D71-S73 PolarHBondContact O-N 3.19Å
74S29.4Very low34.5Very low63 Ų63102.8 Ų102.844%0.44153%0.53SS..  trans-108.947.3-177.322.50000112.4V70 D71 I76V70-S74 WeakPolarHBondContact CG1-OG 3.07Å; D71-S74 PolarHBondContact O-N 3.28Å; D71-S74 PolarHBondContact O-OG 2.83Å; S74-I76 PolarHBondContact O-N 3.06Å
75V28.2Very low34.5Very low95 Ų95103.1 Ų103.158%0.57653%0.532SS*.  trans-56104.5173.8-172.70000108.6S72 E77S72-V75 WeakPolarHBondContact O-CG2 3.44Å; V75-E77 PolarHBondContact O-N 2.99Å
76I26.1Very low34.6Very low85 Ų85100.9 Ų100.944%0.43652%0.522SS..  trans-53.1131.5168.9-63.7169.7000106.4M1 S74 I78M1-I76 HydrophobicContact CE-CG2 4.24Å; M1-I76 HydrophobicContact SD-CG2 3.95Å; S74-I76 PolarHBondContact O-N 3.06Å; I76-I78 HydrophobicContact CB-CG1 4.23Å; I76-I78 HydrophobicContact CG2-CG1 3.99Å; I76-I78 WeakPolarHBondContact O-CG1 3.3Å; I76-I78 PolarHBondContact O-N 3.41Å
77E28.6Very low34.6Very low179 Ų17999 Ų9984%0.83652%0.516SS*.  trans-52.381.6168-70.5172.9156.800109V75V75-E77 PolarHBondContact O-N 2.99Å
78I27.5Very low34.6Very low46 Ų4695.9 Ų95.924%0.23650%0.504CS..  trans-96.397.7170.7-63-177.6000102.8F4 F61 I76 F80F4-I78 HydrophobicContact CE2-CD1 4.26Å; F4-I78 HydrophobicContact CZ-CD1 4.26Å; F61-I78 HydrophobicContact CE1-CD1 3.76Å; F61-I78 HydrophobicContact CZ-CD1 4.29Å; I76-I78 HydrophobicContact CB-CG1 4.23Å; I76-I78 HydrophobicContact CG2-CG1 3.99Å; I76-I78 WeakPolarHBondContact O-CG1 3.3Å; I76-I78 PolarHBondContact O-N 3.41Å; I78-F80 HydrophobicContact CB-CD2 4.44Å; I78-F80 HydrophobicContact CG2-CB 3.65Å; I78-F80 HydrophobicContact CG2-CD2 2.95Å; I78-F80 HydrophobicContact CG2-CE2 3.66Å; I78-F80 HydrophobicContact CG2-CG 3.51Å; I78-F80 PolarHBondContact O-N 3.13Å
79D28.9Very low34.9Very low170 Ų17093.3 Ų93.391%0.90949%0.492SS*.  trans-5721.4165.7-96.6-18000112.9L81D79-L81 PolarHBondContact O-N 3.39Å
80F32.5Very low35.2Very low63 Ų6386.9 Ų86.928%0.27646%0.463SS..  trans-60.5108.8157.8-88.1-124.2000104.6F4 M7 I78F4-F80 HydrophobicContact CB-CE2 4.4Å; F4-F80 HydrophobicContact CD1-CE2 4.45Å; F4-F80 HydrophobicContact CD1-CZ 4.44Å; M7-F80 HydrophobicContact CE-CZ 4.2Å; I78-F80 HydrophobicContact CB-CD2 4.44Å; I78-F80 HydrophobicContact CG2-CB 3.65Å; I78-F80 HydrophobicContact CG2-CD2 2.95Å; I78-F80 HydrophobicContact CG2-CE2 3.66Å; I78-F80 HydrophobicContact CG2-CG 3.51Å; I78-F80 PolarHBondContact O-N 3.13Å
81L32.7Very low35.7Very low71 Ų7189.7 Ų89.737%0.37248%0.476SS..  162.971.8127.2-77151.3000105.3D79 S83 I85 F86 V89D79-L81 PolarHBondContact O-N 3.39Å; L81-S83 PolarHBondContact O-N 3.32Å; L81-I85 HydrophobicContact CD2-CB 3.97Å; L81-I85 HydrophobicContact CD2-CG2 3.68Å; L81-F86 HydrophobicContact CB-CB 4.11Å; L81-F86 HydrophobicContact CB-CD2 4.36Å; L81-F86 HydrophobicContact CD1-CD2 4.1Å; L81-F86 HydrophobicContact CD2-CB 3.82Å; L81-F86 HydrophobicContact CD2-CD2 4.23Å; L81-F86 VanDerWaalsContact CD2-N 3.34Å; L81-F86 HydrophobicContact CG-CB 4.44Å; L81-F86 HydrophobicContact CG-CD2 4.42Å; L81-V89 HydrophobicContact CD2-CG2 4.12Å
82R36.3Very low36Very low185 Ų18588 Ų8870%0.69846%0.462SS*.  trans-51140146.5-83.9179.260.1153.7-1106.4D84 I85 F86R82-D84 WeakPolarHBondContact CB-OD1 3.16Å; R82-D84 PolarHBondContact O-N 3.45Å; R82-D84 VanDerWaalsContact O-OD1 3.06Å; R82-I85 PolarHBondContact O-N 3.12Å; R82-F86 PolarHBondContact O-N 3.22Å
83S39.2Very low36.2Very low93 Ų9385.3 Ų85.365%0.6544%0.44SS*.Hα-helixtrans-53.3-25.7-164.559.60000114.5L81 F86 E87L81-S83 PolarHBondContact O-N 3.32Å; S83-F86 WeakPolarHBondContact O-CB 3.48Å; S83-F86 PolarHBondContact O-N 3.06Å; S83-E87 WeakPolarHBondContact O-CB 3.07Å; S83-E87 PolarHBondContact O-N 3.24Å
84D39.1Very low36.4Very low82 Ų8290.3 Ų90.344%0.43945%0.449SS..Hα-helixtrans-64.9-46.2176.248.3-7.2000112.7R82 F86 E88R82-D84 WeakPolarHBondContact CB-OD1 3.16Å; R82-D84 PolarHBondContact O-N 3.45Å; R82-D84 VanDerWaalsContact O-OD1 3.06Å; D84-F86 VanDerWaalsContact C-N 3.27Å; D84-F86 PolarHBondContact O-N 3.13Å; D84-E88 WeakPolarHBondContact O-CG 3.18Å; D84-E88 PolarHBondContact O-N 3.05Å
85I39.6Very low36.8Very low53 Ų5390.4 Ų90.427%0.27245%0.447SS..Hα-helixtrans-67.3-34.8176.2-56.1178.8000110.2L54 L81 R82 E88 V89L54-I85 HydrophobicContact CD2-CG2 4.06Å; L81-I85 HydrophobicContact CD2-CB 3.97Å; L81-I85 HydrophobicContact CD2-CG2 3.68Å; R82-I85 PolarHBondContact O-N 3.12Å; I85-E88 PolarHBondContact O-N 3.49Å; I85-V89 HydrophobicContact CG2-CG2 4.25Å; I85-V89 WeakPolarHBondContact O-CB 3.46Å; I85-V89 VanDerWaalsContact O-CG2 3.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.31Å; I85-V89 PolarHBondContact O-N 2.8Å
86F41.7Very low37.2Very low22 Ų2288 Ų8810%0.09644%0.437CS..Hα-helixtrans-63.9-47.2179.7-176.4-92.7000112.8L81 R82 S83 D84 E88 V89 L90 M108 M109L81-F86 HydrophobicContact CB-CB 4.11Å; L81-F86 HydrophobicContact CB-CD2 4.36Å; L81-F86 HydrophobicContact CD1-CD2 4.1Å; L81-F86 HydrophobicContact CD2-CB 3.82Å; L81-F86 HydrophobicContact CD2-CD2 4.23Å; L81-F86 VanDerWaalsContact CD2-N 3.34Å; L81-F86 HydrophobicContact CG-CB 4.44Å; L81-F86 HydrophobicContact CG-CD2 4.42Å; R82-F86 PolarHBondContact O-N 3.22Å; S83-F86 WeakPolarHBondContact O-CB 3.48Å; S83-F86 PolarHBondContact O-N 3.06Å; D84-F86 VanDerWaalsContact C-N 3.27Å; D84-F86 PolarHBondContact O-N 3.13Å; F86-E88 VanDerWaalsContact C-N 3.25Å; F86-E88 PolarHBondContact O-N 2.82Å; F86-V89 PolarHBondContact O-N 2.8Å; F86-L90 HydrophobicContact CD1-CD1 3.87Å; F86-L90 HydrophobicContact CD1-CG 4.29Å; F86-L90 HydrophobicContact CE1-CD1 3.21Å; F86-L90 HydrophobicContact CE1-CG 3.82Å; F86-L90 HydrophobicContact CZ-CD1 3.8Å; F86-L90 HydrophobicContact CZ-CD2 4.43Å; F86-L90 HydrophobicContact CZ-CG 4.09Å; F86-L90 PolarHBondContact O-N 2.97Å; F86-M108 HydrophobicContact CE2-CB 3.56Å; F86-M108 HydrophobicContact CE2-CG 3.84Å; F86-M108 WeakPolarHBondContact CE2-O 3.28Å; F86-M108 HydrophobicContact CE2-SD 4.06Å; F86-M108 HydrophobicContact CZ-CB 3.69Å; F86-M108 HydrophobicContact CZ-CG 4.39Å; F86-M109 HydrophobicContact CD1-SD 4.18Å; F86-M109 HydrophobicContact CE1-CG 4.13Å; F86-M109 HydrophobicContact CE1-SD 3.23Å; F86-M109 WeakPolarHBondContact CE1-SD 3.47Å; F86-M109 HydrophobicContact CZ-CG 4.02Å; F86-M109 HydrophobicContact CZ-SD 3.72Å
87E43.1Very low37.8Very low144 Ų14493.1 Ų93.167%0.67346%0.456SS*.Hα-helixtrans-61.4-38.5177-161.2168.3-168.300110.8S83 N91S83-E87 WeakPolarHBondContact O-CB 3.07Å; S83-E87 PolarHBondContact O-N 3.24Å; E87-N91 VanDerWaalsContact O-CB 3.31Å; E87-N91 WeakPolarHBondContact O-CB 3.33Å; E87-N91 PolarHBondContact O-N 3.31Å
88E41.4Very low38.3Very low71 Ų7188.2 Ų88.233%0.33244%0.435SS..Hα-helixtrans-69.5-38.7176-72.2-179.9157.200113.2H50 L54 D84 I85 F86 N91 Y92H50-E88 IonicContact CG-OE1 3.57Å; H50-E88 IonicContact CG-OE2 2.85Å; H50-E88 IonicContact ND1-OE1 3.93Å; H50-E88 PolarHBondContact ND1-OE1 2.77Å; H50-E88 IonicContact ND1-OE2 2.74Å; H50-E88 PolarHBondContact ND1-OE2 3.18Å; L54-E88 HydrophobicContact CD1-CB 3.7Å; D84-E88 WeakPolarHBondContact O-CG 3.18Å; D84-E88 PolarHBondContact O-N 3.05Å; I85-E88 PolarHBondContact O-N 3.49Å; F86-E88 VanDerWaalsContact C-N 3.25Å; F86-E88 PolarHBondContact O-N 2.82Å; E88-N91 PolarHBondContact O-N 3.31Å; E88-Y92 PolarHBondContact O-N 3.15Å
89V42.5Very low39Very low43 Ų4391.5 Ų91.526%0.26146%0.462SS..Hα-helixtrans-64.6-44174.9166.50000111.1L54 L81 I85 F86 N91 Y92 M93L54-V89 HydrophobicContact CD2-CG2 4.43Å; L81-V89 HydrophobicContact CD2-CG2 4.12Å; I85-V89 HydrophobicContact CG2-CG2 4.25Å; I85-V89 WeakPolarHBondContact O-CB 3.46Å; I85-V89 VanDerWaalsContact O-CG2 3.28Å; I85-V89 WeakPolarHBondContact O-CG2 3.31Å; I85-V89 PolarHBondContact O-N 2.8Å; F86-V89 PolarHBondContact O-N 2.8Å; V89-N91 VanDerWaalsContact C-N 3.34Å; V89-Y92 WeakPolarHBondContact O-CB 3.48Å; V89-Y92 PolarHBondContact O-N 2.93Å; V89-M93 HydrophobicContact CG1-CE 3.56Å; V89-M93 WeakPolarHBondContact O-CG 3.48Å; V89-M93 PolarHBondContact O-N 2.66Å
90L44.2Very low39.4Very low45 Ų4585.5 Ų85.524%0.23643%0.431CS..Hα-helixtrans-61.6-43.1173.4-76.8-177.4000111.6F86 Y92 M93 Y94 V105 M108F86-L90 HydrophobicContact CD1-CD1 3.87Å; F86-L90 HydrophobicContact CD1-CG 4.29Å; F86-L90 HydrophobicContact CE1-CD1 3.21Å; F86-L90 HydrophobicContact CE1-CG 3.82Å; F86-L90 HydrophobicContact CZ-CD1 3.8Å; F86-L90 HydrophobicContact CZ-CD2 4.43Å; F86-L90 HydrophobicContact CZ-CG 4.09Å; F86-L90 PolarHBondContact O-N 2.97Å; L90-Y92 VanDerWaalsContact C-N 3.3Å; L90-Y92 PolarHBondContact O-N 3.29Å; L90-M93 HydrophobicContact CD2-CE 4.27Å; L90-M93 PolarHBondContact O-N 2.81Å; L90-Y94 WeakPolarHBondContact O-CB 3.17Å; L90-Y94 PolarHBondContact O-N 2.99Å; L90-V105 HydrophobicContact CD2-CG1 4.42Å; L90-M108 HydrophobicContact CD2-CE 4.33Å; L90-M108 HydrophobicContact CD2-SD 4.33Å
91N43.1Very low39.9Very low96 Ų9688.5 Ų88.551%0.51344%0.444SS..Hα-helixtrans-64.7-35.8177.6-163.416.7000111.8E87 E88 V89 T95E87-N91 VanDerWaalsContact O-CB 3.31Å; E87-N91 WeakPolarHBondContact O-CB 3.33Å; E87-N91 PolarHBondContact O-N 3.31Å; E88-N91 PolarHBondContact O-N 3.31Å; V89-N91 VanDerWaalsContact C-N 3.34Å; N91-T95 WeakPolarHBondContact O-CB 3.31Å; N91-T95 VanDerWaalsContact O-CG2 3.3Å; N91-T95 WeakPolarHBondContact O-CG2 3.48Å; N91-T95 PolarHBondContact O-N 3.2Å; N91-T95 PolarHBondContact O-OG1 3.18Å
92Y40.6Very low40.3Very low78 Ų7892.7 Ų92.731%0.30646%0.459SS..Hα-helixtrans-64.1-47.9171178.1-97.8000111.8E88 V89 L90 Y94 T95 A96 I98E88-Y92 PolarHBondContact O-N 3.15Å; V89-Y92 WeakPolarHBondContact O-CB 3.48Å; V89-Y92 PolarHBondContact O-N 2.93Å; L90-Y92 VanDerWaalsContact C-N 3.3Å; L90-Y92 PolarHBondContact O-N 3.29Å; Y92-Y94 VanDerWaalsContact C-N 3.26Å; Y92-Y94 PolarHBondContact O-N 3.28Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.47Å; Y92-T95 PolarHBondContact O-N 2.79Å; Y92-T95 PolarHBondContact O-OG1 2.82Å; Y92-T95 VanDerWaalsContact O-OG1 3.07Å; Y92-A96 HydrophobicContact CE1-CB 4.19Å; Y92-A96 WeakPolarHBondContact O-CB 3.47Å; Y92-A96 PolarHBondContact O-N 3.29Å; Y92-I98 HydrophobicContact CE1-CD1 4.44Å
93M39.6Very low40.7Very low32 Ų3289.4 Ų89.416%0.15845%0.452CS..Hα-helixtrans-58.4-41.4177.4-72.1-163.3-107.900112V89 L90 K97 I98 V100 M108V89-M93 HydrophobicContact CG1-CE 3.56Å; V89-M93 WeakPolarHBondContact O-CG 3.48Å; V89-M93 PolarHBondContact O-N 2.66Å; L90-M93 HydrophobicContact CD2-CE 4.27Å; L90-M93 PolarHBondContact O-N 2.81Å; M93-K97 PolarHBondContact O-N 3.4Å; M93-I98 HydrophobicContact CB-CB 4.32Å; M93-I98 HydrophobicContact CG-CD1 4.31Å; M93-I98 PolarHBondContact O-N 2.84Å; M93-V100 HydrophobicContact CB-CG2 4.14Å; M93-V100 HydrophobicContact CG-CG2 4.47Å; M93-V100 HydrophobicContact SD-CG2 3.57Å; M93-V100 VanDerWaalsContact SD-CG2 3.57Å; M93-M108 HydrophobicContact CE-CE 3.74Å; M93-M108 HydrophobicContact CE-SD 3.63Å
94Y39.9Very low40.7Very low180 Ų18087.1 Ų87.171%0.70643%0.433SS*.Hα-helixtrans-62-50.6174.6-176-100.1000112.2L90 Y92 A96 K97L90-Y94 WeakPolarHBondContact O-CB 3.17Å; L90-Y94 PolarHBondContact O-N 2.99Å; Y92-Y94 VanDerWaalsContact C-N 3.26Å; Y92-Y94 PolarHBondContact O-N 3.28Å; Y94-A96 VanDerWaalsContact C-N 3.33Å; Y94-A96 PolarHBondContact O-N 3.34Å; Y94-K97 PolarHBondContact O-N 2.83Å; Y94-K97 VanDerWaalsContact O-N 3.14Å
95T37.3Very low40.9Very low66 Ų6685.3 Ų85.341%0.40542%0.424SS..Hα-helixtrans-68.1-30.7-179.753.60000113.2N91 Y92 K97N91-T95 WeakPolarHBondContact O-CB 3.31Å; N91-T95 VanDerWaalsContact O-CG2 3.3Å; N91-T95 WeakPolarHBondContact O-CG2 3.48Å; N91-T95 PolarHBondContact O-N 3.2Å; N91-T95 PolarHBondContact O-OG1 3.18Å; Y92-T95 WeakPolarHBondContact CA-OG1 3.47Å; Y92-T95 PolarHBondContact O-N 2.79Å; Y92-T95 PolarHBondContact O-OG1 2.82Å; Y92-T95 VanDerWaalsContact O-OG1 3.07Å; T95-K97 PolarHBondContact O-N 2.91Å
96A37.2Very low40.9Very low45 Ų4587.3 Ų87.337%0.37244%0.435SS..THydrogen-bonded Turntrans-800.7175.300000113.4Y92 Y94 I98Y92-A96 HydrophobicContact CE1-CB 4.19Å; Y92-A96 WeakPolarHBondContact O-CB 3.47Å; Y92-A96 PolarHBondContact O-N 3.29Å; Y94-A96 VanDerWaalsContact C-N 3.33Å; Y94-A96 PolarHBondContact O-N 3.34Å; A96-I98 HydrophobicContact CB-CD1 3.99Å; A96-I98 HydrophobicContact CB-CG1 3.9Å; A96-I98 PolarHBondContact O-N 3.05Å; A96-I98 VanDerWaalsContact O-N 3.17Å
97K39.3Very low40.9Very low191 Ų19188.5 Ų88.583%0.8344%0.442SS*.THydrogen-bonded Turntrans53.131.4-175.5-58.6-177.1178.3-1800113M93 Y94 T95 S99M93-K97 PolarHBondContact O-N 3.4Å; Y94-K97 PolarHBondContact O-N 2.83Å; Y94-K97 VanDerWaalsContact O-N 3.14Å; T95-K97 PolarHBondContact O-N 2.91Å; K97-S99 PolarHBondContact O-N 3.42Å
98I39.7Very low40.7Very low77 Ų7783.7 Ų83.740%0.39542%0.421SS..  trans-71.5117.8171.4-62.1173.6000105.7Y92 M93 A96 V100Y92-I98 HydrophobicContact CE1-CD1 4.44Å; M93-I98 HydrophobicContact CB-CB 4.32Å; M93-I98 HydrophobicContact CG-CD1 4.31Å; M93-I98 PolarHBondContact O-N 2.84Å; A96-I98 HydrophobicContact CB-CD1 3.99Å; A96-I98 HydrophobicContact CB-CG1 3.9Å; A96-I98 PolarHBondContact O-N 3.05Å; A96-I98 VanDerWaalsContact O-N 3.17Å; I98-V100 HydrophobicContact CG2-CG2 4.18Å; I98-V100 PolarHBondContact O-N 3.4Å
99S40.4Very low40.5Very low115 Ų11586 Ų8680%0.80443%0.433SS*.  trans-70.1113.4174-179.90000108.2K97K97-S99 PolarHBondContact O-N 3.42Å
100V38.5Very low40.2Very low43 Ų4387.4 Ų87.426%0.26145%0.445SS..  trans-111.7128.7174.1-174.20000106.4M93 I98 D104 V105 M108M93-V100 HydrophobicContact CB-CG2 4.14Å; M93-V100 HydrophobicContact CG-CG2 4.47Å; M93-V100 HydrophobicContact SD-CG2 3.57Å; M93-V100 VanDerWaalsContact SD-CG2 3.57Å; I98-V100 HydrophobicContact CG2-CG2 4.18Å; I98-V100 PolarHBondContact O-N 3.4Å; V100-D104 HydrophobicContact CG1-CB 3.64Å; V100-V105 HydrophobicContact CB-CG2 4.29Å; V100-V105 HydrophobicContact CG1-CG2 3.59Å; V100-M108 HydrophobicContact CG1-CE 4.03Å
101K41.9Very low39.8Very low126 Ų12688 Ų8855%0.54845%0.452SS..  trans-72.9153.5176.7-63.2-177.3178.5-178.40109.7E103 D104 V105K101-E103 PolarHBondContact O-N 3.14Å; K101-D104 WeakPolarHBondContact CB-OD2 3.4Å; K101-D104 PolarHBondContact N-OD2 3.43Å; K101-D104 WeakPolarHBondContact O-CB 3.29Å; K101-D104 PolarHBondContact O-N 3.28Å; K101-V105 PolarHBondContact O-N 3.27Å
102K42.1Very low39.5Very low160 Ų16086.2 Ų86.270%0.69646%0.457SS*.Hα-helixtrans-58.2-36178.7-173.4179.5176.8-174.30111D104 V105 N106K102-D104 VanDerWaalsContact C-N 3.34Å; K102-D104 PolarHBondContact O-N 3.16Å; K102-V105 PolarHBondContact O-N 3.26Å; K102-N106 VanDerWaalsContact O-CG 3.3Å; K102-N106 PolarHBondContact O-N 3.17Å; K102-N106 VanDerWaalsContact O-N 3.07Å; K102-N106 PolarHBondContact O-ND2 2.98Å
103E43.8Very low39Very low116 Ų11690.8 Ų90.854%0.54248%0.481SS..Hα-helixtrans-59.9-41.3173.2-51.587.8-10700112.7K101 N106 L107K101-E103 PolarHBondContact O-N 3.14Å; E103-N106 PolarHBondContact O-N 2.8Å; E103-L107 WeakPolarHBondContact O-CB 3.3Å; E103-L107 PolarHBondContact O-N 3.21Å
104D40.7Very low38.4Very low45 Ų4595.5 Ų95.524%0.24151%0.505CS..Hα-helixtrans-68.7-38.3-178.6-53.8-34.2000111.5V100 K101 K102 L107 M108 F119V100-D104 HydrophobicContact CG1-CB 3.64Å; K101-D104 WeakPolarHBondContact CB-OD2 3.4Å; K101-D104 PolarHBondContact N-OD2 3.43Å; K101-D104 WeakPolarHBondContact O-CB 3.29Å; K101-D104 PolarHBondContact O-N 3.28Å; K102-D104 VanDerWaalsContact C-N 3.34Å; K102-D104 PolarHBondContact O-N 3.16Å; D104-L107 WeakPolarHBondContact O-CB 3.45Å; D104-L107 PolarHBondContact O-N 2.9Å; D104-M108 WeakPolarHBondContact O-CB 3.35Å; D104-M108 PolarHBondContact O-N 3.25Å; D104-F119 VanDerWaalsContact OD1-CZ 3.29Å; D104-F119 WeakPolarHBondContact OD1-CZ 3.37Å
105V42.1Very low37.7Very low44 Ų4492.8 Ų92.827%0.26750%0.502SS..Hα-helixtrans-65.4-46.6175.2-179.50000110.3L90 V100 K101 K102 L107 M108 M109L90-V105 HydrophobicContact CD2-CG1 4.42Å; V100-V105 HydrophobicContact CB-CG2 4.29Å; V100-V105 HydrophobicContact CG1-CG2 3.59Å; K101-V105 PolarHBondContact O-N 3.27Å; K102-V105 PolarHBondContact O-N 3.26Å; V105-L107 VanDerWaalsContact C-N 3.27Å; V105-L107 PolarHBondContact O-N 3.33Å; V105-M108 WeakPolarHBondContact O-CB 3.4Å; V105-M108 PolarHBondContact O-N 2.85Å; V105-M109 HydrophobicContact CG1-CG 4.33Å; V105-M109 WeakPolarHBondContact O-CB 3.27Å; V105-M109 WeakPolarHBondContact O-CG 3.48Å; V105-M109 PolarHBondContact O-N 2.72Å
106N40.5Very low37Very low94 Ų9491.2 Ų91.250%0.50350%0.5SS..Hα-helixtrans-61.6-38.7177.5-72.3-15.2000111.5K102 E103 M109 S110K102-N106 VanDerWaalsContact O-CG 3.3Å; K102-N106 PolarHBondContact O-N 3.17Å; K102-N106 VanDerWaalsContact O-N 3.07Å; K102-N106 PolarHBondContact O-ND2 2.98Å; E103-N106 PolarHBondContact O-N 2.8Å; N106-M109 PolarHBondContact O-N 2.91Å; N106-S110 WeakPolarHBondContact O-CB 3.19Å; N106-S110 PolarHBondContact O-N 3.07Å; N106-S110 PolarHBondContact O-OG 2.92Å
107L40.9Very low36.6Very low47 Ų4795.4 Ų95.425%0.24651%0.514CS..Hα-helixtrans-62.4-50.4174.3-17681.2000111.2E103 D104 V105 M109 S110 S111 F119E103-L107 WeakPolarHBondContact O-CB 3.3Å; E103-L107 PolarHBondContact O-N 3.21Å; D104-L107 WeakPolarHBondContact O-CB 3.45Å; D104-L107 PolarHBondContact O-N 2.9Å; V105-L107 VanDerWaalsContact C-N 3.27Å; V105-L107 PolarHBondContact O-N 3.33Å; L107-M109 VanDerWaalsContact C-N 3.27Å; L107-M109 PolarHBondContact O-N 3.22Å; L107-S110 WeakPolarHBondContact CA-OG 3.42Å; L107-S110 CarbonylContact O-C 3.59Å; L107-S110 PolarHBondContact O-N 3.43Å; L107-S110 PolarHBondContact O-OG 3.28Å; L107-S111 WeakPolarHBondContact O-CB 3.5Å; L107-S111 PolarHBondContact O-N 3.23Å; L107-S111 PolarHBondContact O-OG 3.26Å; L107-S111 VanDerWaalsContact O-OG 3.14Å; L107-F119 HydrophobicContact CD1-CB 3.75Å; L107-F119 HydrophobicContact CD1-CD2 4.04Å; L107-F119 HydrophobicContact CD1-CG 4.02Å; L107-F119 HydrophobicContact CD2-CB 3.56Å; L107-F119 HydrophobicContact CD2-CD1 3.2Å; L107-F119 HydrophobicContact CD2-CD2 3.47Å; L107-F119 VanDerWaalsContact CD2-CD2 3.47Å; L107-F119 HydrophobicContact CD2-CE1 3.59Å; L107-F119 HydrophobicContact CD2-CE2 3.85Å; L107-F119 HydrophobicContact CD2-CG 3.11Å; L107-F119 HydrophobicContact CD2-CZ 3.91Å; L107-F119 HydrophobicContact CG-CB 4.27Å; L107-F119 HydrophobicContact CG-CD2 4.25Å; L107-F119 HydrophobicContact CG-CG 4.15Å
108M39.2Very low35.9Very low44 Ų4496.2 Ų96.222%0.21751%0.512CS..Hα-helixtrans-56.8-41.1177.4-113.2-173.3-70.100112F86 L90 M93 V100 D104 V105 S111F86-M108 HydrophobicContact CE2-CB 3.56Å; F86-M108 HydrophobicContact CE2-CG 3.84Å; F86-M108 WeakPolarHBondContact CE2-O 3.28Å; F86-M108 HydrophobicContact CE2-SD 4.06Å; F86-M108 HydrophobicContact CZ-CB 3.69Å; F86-M108 HydrophobicContact CZ-CG 4.39Å; L90-M108 HydrophobicContact CD2-CE 4.33Å; L90-M108 HydrophobicContact CD2-SD 4.33Å; M93-M108 HydrophobicContact CE-CE 3.74Å; M93-M108 HydrophobicContact CE-SD 3.63Å; V100-M108 HydrophobicContact CG1-CE 4.03Å; D104-M108 WeakPolarHBondContact O-CB 3.35Å; D104-M108 PolarHBondContact O-N 3.25Å; V105-M108 WeakPolarHBondContact O-CB 3.4Å; V105-M108 PolarHBondContact O-N 2.85Å; M108-S111 WeakPolarHBondContact CA-OG 3.31Å; M108-S111 PolarHBondContact O-OG 2.87Å
109M36.7Very low35.3Very low120 Ų12095.5 Ų95.559%0.59151%0.506SS*.Hα-helixtrans-65.3-40.5174.6-69.9-71.6-64.400112.2F86 V105 N106 L107F86-M109 HydrophobicContact CD1-SD 4.18Å; F86-M109 HydrophobicContact CE1-CG 4.13Å; F86-M109 HydrophobicContact CE1-SD 3.23Å; F86-M109 WeakPolarHBondContact CE1-SD 3.47Å; F86-M109 HydrophobicContact CZ-CG 4.02Å; F86-M109 HydrophobicContact CZ-SD 3.72Å; V105-M109 HydrophobicContact CG1-CG 4.33Å; V105-M109 WeakPolarHBondContact O-CB 3.27Å; V105-M109 WeakPolarHBondContact O-CG 3.48Å; V105-M109 PolarHBondContact O-N 2.72Å; N106-M109 PolarHBondContact O-N 2.91Å; L107-M109 VanDerWaalsContact C-N 3.27Å; L107-M109 PolarHBondContact O-N 3.22Å
110S36.2Very low34.6Very low72 Ų7294.2 Ų94.250%0.50349%0.49SS..Hα-helixtrans-77-28.9179.765.60000113.7N106 L107 G112 Q113N106-S110 WeakPolarHBondContact O-CB 3.19Å; N106-S110 PolarHBondContact O-N 3.07Å; N106-S110 PolarHBondContact O-OG 2.92Å; L107-S110 WeakPolarHBondContact CA-OG 3.42Å; L107-S110 CarbonylContact O-C 3.59Å; L107-S110 PolarHBondContact O-N 3.43Å; L107-S110 PolarHBondContact O-OG 3.28Å; S110-G112 PolarHBondContact O-N 2.94Å; S110-Q113 PolarHBondContact O-N 3.19Å
111S37.3Very low34.1Very low56 Ų5698.3 Ų98.339%0.39251%0.51SS..THydrogen-bonded Turntrans-70.9-11.1177.453.90000113.5L107 M108 Q113L107-S111 WeakPolarHBondContact O-CB 3.5Å; L107-S111 PolarHBondContact O-N 3.23Å; L107-S111 PolarHBondContact O-OG 3.26Å; L107-S111 VanDerWaalsContact O-OG 3.14Å; M108-S111 WeakPolarHBondContact CA-OG 3.31Å; M108-S111 PolarHBondContact O-OG 2.87Å; S111-Q113 PolarHBondContact O-N 2.93Å
112G36Very low33.3Very low59 Ų5999.9 Ų99.961%0.60852%0.517SS*.THydrogen-bonded Turntrans-61.1-5.4170.600000114.1S110S110-G112 PolarHBondContact O-N 2.94Å
113Q29.8Very low32.5Very low174 Ų17496.3 Ų96.381%0.81351%0.505SS*.THydrogen-bonded Turntrans-128.9-47.8173.7-68.6-169.9-21.200115.2S110 S111S110-Q113 PolarHBondContact O-N 3.19Å; S111-Q113 PolarHBondContact O-N 2.93Å
114I26.8Very low31.7Very low131 Ų13195 Ų9567%0.67251%0.508SS*.SBendtrans-171.9141.3-171.6-92.1125.8000107.6
115L24.9Very low31.3Very low123 Ų12397.4 Ų97.464%0.64453%0.528SS*.  trans75.652.8162.7-67.6149.8000119.1I117L115-I117 HydrophobicContact CD2-CB 3.98Å; L115-I117 HydrophobicContact CD2-CD1 3.74Å; L115-I117 HydrophobicContact CD2-CG1 4.31Å; L115-I117 HydrophobicContact CD2-CG2 4.42Å; L115-I117 HydrophobicContact CG-CD1 4.41Å; L115-I117 PolarHBondContact O-N 2.94Å
116G23.4Very low30.6Very low34 Ų34102.7 Ų102.735%0.35155%0.55SS.*G310 helixtrans-60.63.8152.100000114.7R118 F119G116-R118 VanDerWaalsContact C-N 3.27Å; G116-R118 PolarHBondContact O-N 3.25Å; G116-F119 PolarHBondContact O-N 3.41Å
117I28Very low29.9Very low133 Ų133107.4 Ų107.468%0.68257%0.566SS**G310 helixtrans-69.2-13.8-166.7-71.1167.8000113.7L115L115-I117 HydrophobicContact CD2-CB 3.98Å; L115-I117 HydrophobicContact CD2-CD1 3.74Å; L115-I117 HydrophobicContact CD2-CG1 4.31Å; L115-I117 HydrophobicContact CD2-CG2 4.42Å; L115-I117 HydrophobicContact CG-CD1 4.41Å; L115-I117 PolarHBondContact O-N 2.94Å
118R24.7Very low29.2Very low208 Ų208115.4 Ų115.479%0.78559%0.593SS**G310 helixtrans-108.4-11.2177.2-76.8-173.1168.4165.9-2.2115.6G116G116-R118 VanDerWaalsContact C-N 3.27Å; G116-R118 PolarHBondContact O-N 3.25Å
119F26.6Very low28.5Very low62 Ų62121 Ų12127%0.27262%0.624SS.*Hα-helixtrans-71.3-34.6-178.8-173.1-111.5000112.4D104 L107 G116 D121 K122 L123D104-F119 VanDerWaalsContact OD1-CZ 3.29Å; D104-F119 WeakPolarHBondContact OD1-CZ 3.37Å; L107-F119 HydrophobicContact CD1-CB 3.75Å; L107-F119 HydrophobicContact CD1-CD2 4.04Å; L107-F119 HydrophobicContact CD1-CG 4.02Å; L107-F119 HydrophobicContact CD2-CB 3.56Å; L107-F119 HydrophobicContact CD2-CD1 3.2Å; L107-F119 HydrophobicContact CD2-CD2 3.47Å; L107-F119 VanDerWaalsContact CD2-CD2 3.47Å; L107-F119 HydrophobicContact CD2-CE1 3.59Å; L107-F119 HydrophobicContact CD2-CE2 3.85Å; L107-F119 HydrophobicContact CD2-CG 3.11Å; L107-F119 HydrophobicContact CD2-CZ 3.91Å; L107-F119 HydrophobicContact CG-CB 4.27Å; L107-F119 HydrophobicContact CG-CD2 4.25Å; L107-F119 HydrophobicContact CG-CG 4.15Å; G116-F119 PolarHBondContact O-N 3.41Å; F119-D121 VanDerWaalsContact C-N 3.34Å; F119-D121 PolarHBondContact O-N 2.97Å; F119-K122 PolarHBondContact O-N 3.02Å; F119-L123 HydrophobicContact CD1-CD1 3.78Å; F119-L123 HydrophobicContact CD1-CG 4.48Å; F119-L123 HydrophobicContact CE1-CD1 3.28Å; F119-L123 HydrophobicContact CE1-CG 4.09Å; F119-L123 HydrophobicContact CZ-CD1 3.8Å; F119-L123 HydrophobicContact CZ-CG 4.22Å; F119-L123 PolarHBondContact O-N 2.79Å
120L26.8Very low28.1Very low87 Ų87121.7 Ų121.746%0.45563%0.634SS.*Hα-helixtrans-75.1-23.2-178.3-66.8175000113.4K122 C124L120-K122 VanDerWaalsContact C-N 3.3Å; L120-K122 PolarHBondContact O-N 2.72Å; L120-C124 PolarHBondContact O-N 2.68Å
121D27.3Very low27.6Very low129 Ų129123.6 Ų123.669%0.6965%0.648SS**Hα-helixtrans-72.6-28.2177.2-145.731.9000111.7F119 S125F119-D121 VanDerWaalsContact C-N 3.34Å; F119-D121 PolarHBondContact O-N 2.97Å; D121-S125 PolarHBondContact O-OG 2.74Å
122K26.1Very low27Very low159 Ų159126.1 Ų126.169%0.69167%0.665SS**Hα-helixtrans-87.6-31.3-180-147.8158.9-171.9179.60113.3F119 L120 C124 S125 Q126F119-K122 PolarHBondContact O-N 3.02Å; L120-K122 VanDerWaalsContact C-N 3.3Å; L120-K122 PolarHBondContact O-N 2.72Å; K122-C124 VanDerWaalsContact C-N 3.31Å; K122-C124 PolarHBondContact O-N 2.86Å; K122-S125 WeakPolarHBondContact O-CB 3.47Å; K122-S125 PolarHBondContact O-N 3.17Å; K122-S125 VanDerWaalsContact O-N 3.09Å; K122-Q126 PolarHBondContact O-N 2.9Å
123L25.1Very low26.7Very low85 Ų85128.4 Ų128.445%0.44567%0.67SS.*Hα-helixtrans-66.6-32.6173.3-78.2177.1000112.7F119 S125 Q126F119-L123 HydrophobicContact CD1-CD1 3.78Å; F119-L123 HydrophobicContact CD1-CG 4.48Å; F119-L123 HydrophobicContact CE1-CD1 3.28Å; F119-L123 HydrophobicContact CE1-CG 4.09Å; F119-L123 HydrophobicContact CZ-CD1 3.8Å; F119-L123 HydrophobicContact CZ-CG 4.22Å; F119-L123 PolarHBondContact O-N 2.79Å; L123-S125 PolarHBondContact O-N 3.17Å; L123-Q126 PolarHBondContact O-N 2.87Å
124C27.4Very low26.6Very low88 Ų88128.2 Ų128.260%0.59567%0.674SS**THydrogen-bonded Turntrans-71.4-15.7172.3-83.60000113.9L120 K122L120-C124 PolarHBondContact O-N 2.68Å; K122-C124 VanDerWaalsContact C-N 3.31Å; K122-C124 PolarHBondContact O-N 2.86Å
125S30.8Very low26.6Very low96 Ų96130.5 Ų130.567%0.67168%0.682SS**THydrogen-bonded Turntrans-85.4-17.4175.4-62.80000113.2D121 K122 L123D121-S125 PolarHBondContact O-OG 2.74Å; K122-S125 WeakPolarHBondContact O-CB 3.47Å; K122-S125 PolarHBondContact O-N 3.17Å; K122-S125 VanDerWaalsContact O-N 3.09Å; L123-S125 PolarHBondContact O-N 3.17Å
126Q27.8Very low26.8Very low155 Ų155131.5 Ų131.572%0.72469%0.688SS**SBendtrans-102.74-174.7-95.4-178.2-3.800115.6K122 L123K122-Q126 PolarHBondContact O-N 2.9Å; L123-Q126 PolarHBondContact O-N 2.87Å
127K25.4Very low26.9Very low194 Ų194136.9 Ų136.984%0.84371%0.709SS**SBendtrans-108.819.1-179.8-96.9-170.4179.5-179.20116.2
128R26.6Very low26.9Very low214 Ų214133.8 Ų133.881%0.80871%0.709SS**  trans-120.182.9168.5-81.8-171.8-92.2167.9-8.1110
129D25.8Very low26.8Very low163 Ų163132.3 Ų132.387%0.87271%0.712SS**  trans-165.263.6157.8-89.9-29.8000110.6
130V27.1Very low26.9Very low133 Ų133135 Ų13581%0.80674%0.738SS**SBendtrans-149.7113.9156.7-170.10000108.8
131S25.2Very low26.7Very low113 Ų113139.8 Ų139.879%0.7976%0.755SS**  trans58.4140.7155.165.40000117.8
132S25.3Very low26.5Very low108 Ų108138.6 Ų138.676%0.75576%0.757SS**  cis-176161.75.1-177.30000103.3
133P29.1Very low26.5Very low108 Ų108139.3 Ų139.370%0.70176%0.76SS**  trans-82.6128.6-16532.7-26.2000110.6
134D28.3Very low26.4Very low170 Ų170145.7 Ų145.791%0.90978%0.78SS**  trans-117.5133157.3-90.9-37.9000109.5
135E27Very low26Very low178 Ų178147.5 Ų147.583%0.83279%0.792SS**  trans-78.6165.1-165.8-59.8174.314000112.3
136N28.9Very low25.6Very low145 Ų145150.4 Ų150.478%0.77580%0.799SS**  trans82.392.1162.4-77.3-29.6000119.9
137N26Very low25.3Very low147 Ų147151.5 Ų151.579%0.78680%0.802SS**  44.5106.3105.1-166.627.4000117.3
138G27.2Very low25.1Very low67 Ų67150.1 Ų150.169%0.69180%0.802SS**  trans170.388.3163.100000112.9S140G138-S140 PolarHBondContact O-N 3.48Å
139Q23.7Very low25Very low178 Ų178146.5 Ų146.583%0.83280%0.799SS**  trans-51.5117.8168.3-86.8125.2-43.100111.8
140S27.5Very low24.9Very low119 Ų119149 Ų14983%0.83280%0.796SS**  trans-123.2105.9154.6-1750000108.6G138G138-S140 PolarHBondContact O-N 3.48Å
141K23.3Very low25Very low186 Ų186148.2 Ų148.281%0.80979%0.794SS**  trans-76.6163.1167.2-71.1174.9173.5175.90109.1
142S23.9Very low24.9Very low105 Ų105148.6 Ų148.673%0.73479%0.785SS**  trans98.2138.3163.2-141.50000113.6
143K24.7Very low25Very low173 Ų173146.9 Ų146.975%0.75279%0.785SS**  cis-166.915.330.9-152.6161-173.4-177.60116.3
144Y23.3Very low24.8Very low219 Ų219149.1 Ų149.186%0.85979%0.791SS**  trans-115.266.5-173.1-62.4-81.1000113.3
145C20.3Very low24.8Very low126 Ų126145.9 Ų145.985%0.85179%0.787SS**  trans-103.789156.3-850000108.2K147C145-K147 PolarHBondContact O-N 2.82Å
146L22.3Very low24.9Very low157 Ų157141.5 Ų141.582%0.82278%0.782SS**  trans-8498.7166.3-85.2160.5000108.5I148L146-I148 PolarHBondContact O-N 2.93Å
147K21.3Very low24.8Very low178 Ų178142.3 Ų142.377%0.77479%0.786SS**  trans-66.2105167-70.5173.5175.3177.50108.6C145C145-K147 PolarHBondContact O-N 2.82Å
148I21.5Very low25.1Very low165 Ų165142.1 Ų142.185%0.84679%0.79SS**  trans-91.8103.2162.9-61.1173.2000106.8L146L146-I148 PolarHBondContact O-N 2.93Å
149N23.1Very low25.3Very low139 Ų139147.4 Ų147.474%0.74380%0.797SS**  trans-74.5141.3173.8-74.2-53.8000110.3
150R24Very low25.5Very low215 Ų215146.7 Ų146.781%0.81180%0.799SS**  trans-43.2165.2156.4-107.5-178.1166.5142.5-5112.5
151P28.4Very low25.7Very low117 Ų117148.1 Ų148.176%0.7680%0.797SS**  cis-145.6173.332.535.3-11.8000118.6
152I24Very low25.9Very low120 Ų120147 Ų14762%0.61580%0.8SS**  trans-35.4132.3162.3-59.7155.1000113.5
153G26.7Very low26.3Very low72 Ų72148.2 Ų148.274%0.74280%0.803SS**  trans-137.1100.8162.700000108.2A155G153-A155 PolarHBondContact O-N 3.37Å
154D24.7Very low26.5Very low156 Ų156148 Ų14883%0.83481%0.805SS**  trans-64.7111.6171-57.8-57.6000108.5
155A29.4Very low26.6Very low101 Ų101147.2 Ų147.284%0.83581%0.809SS**  trans-98.6117.1170.300000108.3G153G153-A155 PolarHBondContact O-N 3.37Å
156A28.9Very low27Very low87 Ų87148.2 Ų148.272%0.71980%0.804SS**  trans-62.9148.8-17200000114.5
157D26.3Very low27.3Very low161 Ų161143.1 Ų143.186%0.86179%0.79SS**  trans4.2109.8145.9-65.7-35.1000115.9
158T31.8Very low27.6Very low143 Ų143142.8 Ų142.888%0.87780%0.797SS**  trans-102.9122.5157.713.60000107.5
159Q31.6Very low28Very low179 Ų179143 Ų14384%0.83679%0.794SS**  trans-67.7145.4-172.3-68.9171-54.200111.7D161Q159-D161 PolarHBondContact O-N 2.81Å
160D27.7Very low28.3Very low163 Ų163144 Ų14487%0.87280%0.799SS**  trans-60.3109.5169.6-61.6-65.2000110.2
161D32.3Very low28.7Very low148 Ų148141.1 Ų141.179%0.79180%0.8SS**  trans-94.5123.6163.7-78.6-42.9000108.9Q159 V163Q159-D161 PolarHBondContact O-N 2.81Å; D161-V163 PolarHBondContact O-N 3.3Å; D161-V163 VanDerWaalsContact O-N 3.12Å
162D27.9Very low29Very low163 Ų163140.3 Ų140.387%0.87280%0.797SS**  trans-51.9108.1173.6-64.5-64.7000111.2E164D162-E164 PolarHBondContact O-N 3.34Å
163V32.7Very low29.6Very low131 Ų131139.2 Ų139.279%0.79480%0.798SS**  trans-90.7109.9170.1-178.50000108.9D161D161-V163 PolarHBondContact O-N 3.3Å; D161-V163 VanDerWaalsContact O-N 3.12Å
164E28Very low30Very low169 Ų169140.3 Ų140.379%0.7979%0.794SS**  trans-51.8155.4175.1-64.3-172.9149.600113.9D162 I166D162-E164 PolarHBondContact O-N 3.34Å; E164-I166 PolarHBondContact O-N 3Å
165E25.6Very low30.5Very low202 Ų202138.1 Ų138.194%0.94478%0.782SS**  trans-56.890.9174.5-171.9174.7-170.400111.6
166I28.6Very low30.8Very low146 Ų146138.1 Ų138.175%0.74977%0.768SS**  trans-87.7115.4171.7-53.2179.4000108.6E164E164-I166 PolarHBondContact O-N 3Å
167G29.3Very low30.9Very low50 Ų50139.3 Ų139.352%0.51577%0.767SS.*  trans-62.6153.6-176.900000115.6Q169G167-Q169 PolarHBondContact O-N 3.22Å
168D26.7Very low31.3Very low172 Ų172136.3 Ų136.392%0.9275%0.754SS**  trans21.784.2147.7-56.7-39.2000116.2
169Q30Very low31.2Very low170 Ų170137.5 Ų137.579%0.79475%0.75SS**  trans-100.2130.1157.1-75.8-176.4-11.700109.3G167 D171G167-Q169 PolarHBondContact O-N 3.22Å; Q169-D171 VanDerWaalsContact C-N 3.33Å; Q169-D171 PolarHBondContact O-N 2.84Å
170D30.4Very low31Very low159 Ų159131.6 Ų131.685%0.8574%0.737SS**  trans-55.886.6179.7-70.2-56.6000112S172D170-S172 PolarHBondContact O-N 3.31Å
171D31.6Very low31Very low154 Ų154130 Ų13082%0.82473%0.733SS**  trans-67.491.1165.7-80.6-32.7000108.4Q169Q169-D171 VanDerWaalsContact C-N 3.33Å; Q169-D171 PolarHBondContact O-N 2.84Å
172S35.1Very low30.9Very low100 Ų100127.7 Ų127.770%0.69973%0.726SS**  trans-48.1137.7159.8-72.60000108.8D170 S174D170-S172 PolarHBondContact O-N 3.31Å; S172-S174 PolarHBondContact O-N 3.37Å
173P37.2Very low30.9Very low97 Ų97124.9 Ų124.963%0.6372%0.717SS**  trans-67.8104.1-162.727.6-34000110.1D175P173-D175 PolarHBondContact O-N 3.09Å
174S34.9Very low30.7Very low95 Ų95124 Ų12466%0.66472%0.717SS**  trans-60.7120.2166.248.80000108.3S172 D176S172-S174 PolarHBondContact O-N 3.37Å; S174-D176 VanDerWaalsContact C-N 3.25Å; S174-D176 PolarHBondContact O-N 3.05Å
175D35.7Very low30.9Very low110 Ų110125.1 Ų125.159%0.58872%0.722SS**  trans-71.786176.8-153.14.5000107P173 T177P173-D175 PolarHBondContact O-N 3.09Å; D175-T177 PolarHBondContact O-N 3.25Å
176D34.5Very low31Very low102 Ų102123.8 Ų123.855%0.54572%0.716SS.*  trans-6287171.2-77.1-28.7000107.4S174 V178S174-D176 VanDerWaalsContact C-N 3.25Å; S174-D176 PolarHBondContact O-N 3.05Å; D176-V178 VanDerWaalsContact C-N 3.28Å; D176-V178 PolarHBondContact O-N 3.39Å
177T31.5Very low31Very low111 Ų111124.2 Ų124.268%0.68172%0.719SS**  trans-60.998.8167.2-59.40000105.4D175 E179D175-T177 PolarHBondContact O-N 3.25Å; T177-E179 PolarHBondContact O-N 3.26Å
178V34.5Very low30.9Very low99 Ų99125.9 Ų125.960%0.674%0.737SS**  trans-65.890.6170.2179.30000106D176 G180D176-V178 VanDerWaalsContact C-N 3.28Å; D176-V178 PolarHBondContact O-N 3.39Å; V178-G180 PolarHBondContact O-N 3.2Å
179E30.3Very low30.8Very low167 Ų167126.6 Ų126.678%0.7873%0.732SS**  trans-57.199.8150.9-72-159.7154.900105.2T177 T181T177-E179 PolarHBondContact O-N 3.26Å; E179-T181 PolarHBondContact O-N 2.91Å
180G27.1Very low30.7Very low55 Ų55121.9 Ų121.957%0.56772%0.717SS**  trans-53.1114.9173.600000107.1V178 P182V178-G180 PolarHBondContact O-N 3.2Å; G180-P182 WeakPolarHBondContact O-CD 3.32Å
181T27.9Very low30.6Very low131 Ų131119.2 Ų119.280%0.80471%0.709SS**  trans-48.6112175.4-51.80000107.7E179E179-T181 PolarHBondContact O-N 2.91Å
182P30.4Very low30.6Very low98 Ų98117 Ų11764%0.63670%0.7SS**  trans-59.7141.8170.8-1629.7000107.1G180 S184G180-P182 WeakPolarHBondContact O-CD 3.32Å; P182-S184 PolarHBondContact O-N 3.22Å
183P27.5Very low30.4Very low104 Ų104115.4 Ų115.468%0.67569%0.687SS**  trans-56.8135.3174.525.6-31.2000108.4Q185P183-Q185 PolarHBondContact O-N 2.96Å
184S28.2Very low30.3Very low113 Ų113114 Ų11479%0.7968%0.677SS**  trans-34.7116-179.5-34.10000111.7P182 E186P182-S184 PolarHBondContact O-N 3.22Å; S184-E186 PolarHBondContact O-N 3.33Å
185Q31.4Very low30.6Very low193 Ų193115 Ų11590%0.90267%0.674SS**  trans-66.9114.1169.5-80.9175.1-8400108.1P183P183-Q185 PolarHBondContact O-N 2.96Å
186E28Very low30.9Very low174 Ų174119.5 Ų119.581%0.81368%0.683SS**  trans-97.1119.5162.3-73.2-178.5172.100108.2S184S184-E186 PolarHBondContact O-N 3.33Å
187D29.2Very low31.4Very low155 Ų155116 Ų11683%0.82967%0.665SS**  trans40.2124.8150.9-55.7-39.6000121.6
188G26.5Very low32Very low85 Ų85114 Ų11488%0.87665%0.648SS**  trans-51.7131.4-176.300000116.1
189K25.9Very low32.6Very low187 Ų187115.7 Ų115.781%0.81365%0.649SS**  trans-123.2136157.8-131.697179.5-170.70109.4
190S27Very low33.7Very low70 Ų70110.4 Ų110.449%0.4963%0.634SS.*  trans-43.5142.7-175.1178.60000115.9T192 T193S190-T192 VanDerWaalsContact C-N 3.27Å; S190-T192 PolarHBondContact O-N 3.39Å; S190-T192 VanDerWaalsContact O-N 3.15Å; S190-T192 PolarHBondContact OG-OG1 3.31Å; S190-T193 PolarHBondContact O-N 3.23Å; S190-T193 VanDerWaalsContact O-N 3.09Å; S190-T193 PolarHBondContact O-OG1 3.03Å
191P29.4Very low35Very low104 Ų104108.3 Ų108.368%0.67561%0.61SS**THydrogen-bonded Turntrans-63.7-20-173.321.6-32.2000115.5T193 T194P191-T193 PolarHBondContact O-N 3.13Å; P191-T194 PolarHBondContact O-N 3.09Å; P191-T194 VanDerWaalsContact O-N 3.15Å; P191-T194 PolarHBondContact O-OG1 2.94Å
192T29.7Very low36.3Very low106 Ų106105.7 Ų105.765%0.6559%0.591SS**Hα-helixtrans-66.1-23.2174.838.60000113S190 T194S190-T192 VanDerWaalsContact C-N 3.27Å; S190-T192 PolarHBondContact O-N 3.39Å; S190-T192 VanDerWaalsContact O-N 3.15Å; S190-T192 PolarHBondContact OG-OG1 3.31Å; T192-T194 VanDerWaalsContact C-N 3.35Å
193T31.6Very low37.7Very low68 Ų68109.4 Ų109.442%0.41760%0.597SS.*Hα-helixtrans-74.1-29.8176-140000111.2S190 P191 L195 V197S190-T193 PolarHBondContact O-N 3.23Å; S190-T193 VanDerWaalsContact O-N 3.09Å; S190-T193 PolarHBondContact O-OG1 3.03Å; P191-T193 PolarHBondContact O-N 3.13Å; T193-L195 PolarHBondContact O-N 2.87Å; T193-V197 HydrophobicContact CG2-CG2 4.5Å; T193-V197 VanDerWaalsContact O-CB 3.25Å; T193-V197 WeakPolarHBondContact O-CB 3.37Å; T193-V197 WeakPolarHBondContact O-CG2 3.43Å; T193-V197 PolarHBondContact O-N 3.45Å
194T36.2Very low39Very low68 Ų68109.5 Ų109.542%0.41759%0.588SS.*Hα-helixtrans-67.2-40.7-171.6-460000113.5P191 T192 V197 Q198P191-T194 PolarHBondContact O-N 3.09Å; P191-T194 VanDerWaalsContact O-N 3.15Å; P191-T194 PolarHBondContact O-OG1 2.94Å; T192-T194 VanDerWaalsContact C-N 3.35Å; T194-V197 PolarHBondContact O-N 2.91Å; T194-Q198 WeakPolarHBondContact O-CB 3.37Å; T194-Q198 VanDerWaalsContact O-CG 3.32Å; T194-Q198 WeakPolarHBondContact O-CG 3.34Å; T194-Q198 PolarHBondContact O-N 3.43Å
195L40.3Very low40.4Very low116 Ų116104.6 Ų104.661%0.60755%0.553SS**Hα-helixtrans-69.8-47.9-177.6-83.5171.8000113T193 V197 Q198 E199T193-L195 PolarHBondContact O-N 2.87Å; L195-V197 PolarHBondContact O-N 3.36Å; L195-Q198 PolarHBondContact O-N 3.42Å; L195-E199 PolarHBondContact O-N 3.41Å
196R42.8Very low41.2Very low204 Ų20496.8 Ų96.877%0.7753%0.525SS*.Hα-helixtrans-61.4-36.5176.7-76-175.9170.6161.6-1.4111.6A200R196-A200 WeakPolarHBondContact O-CB 3.28Å; R196-A200 PolarHBondContact O-N 2.93Å
197V45Very low41.8Very low29 Ų2993.3 Ų93.318%0.17652%0.52CS..Hα-helixtrans-67.1-45.7175.6166.60000110.9T193 T194 L195 E199 A200 I201 M309T193-V197 HydrophobicContact CG2-CG2 4.5Å; T193-V197 VanDerWaalsContact O-CB 3.25Å; T193-V197 WeakPolarHBondContact O-CB 3.37Å; T193-V197 WeakPolarHBondContact O-CG2 3.43Å; T193-V197 PolarHBondContact O-N 3.45Å; T194-V197 PolarHBondContact O-N 2.91Å; L195-V197 PolarHBondContact O-N 3.36Å; V197-E199 VanDerWaalsContact C-N 3.29Å; V197-E199 PolarHBondContact O-N 3.37Å; V197-A200 PolarHBondContact O-N 3.24Å; V197-I201 HydrophobicContact CG1-CD1 3.55Å; V197-I201 HydrophobicContact CG1-CG1 4.23Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 3.49Å; V197-M309 HydrophobicContact CB-CE 4.41Å; V197-M309 HydrophobicContact CB-SD 4.27Å; V197-M309 HydrophobicContact CG1-CE 3.68Å; V197-M309 HydrophobicContact CG1-CG 4.1Å; V197-M309 HydrophobicContact CG1-SD 3.42Å; V197-M309 WeakPolarHBondContact CG1-SD 3.48Å; V197-M309 HydrophobicContact CG2-CE 4.05Å; V197-M309 HydrophobicContact CG2-SD 3.77Å
198Q42.5Very low42.4Very low67 Ų6793.5 Ų93.531%0.31352%0.515SS..Hα-helixtrans-57.4-43.2176-80.2177.1-24.400111.5T194 L195 I201 L202T194-Q198 WeakPolarHBondContact O-CB 3.37Å; T194-Q198 VanDerWaalsContact O-CG 3.32Å; T194-Q198 WeakPolarHBondContact O-CG 3.34Å; T194-Q198 PolarHBondContact O-N 3.43Å; L195-Q198 PolarHBondContact O-N 3.42Å; Q198-I201 PolarHBondContact O-N 3.48Å; Q198-L202 VanDerWaalsContact O-CG 3.3Å; Q198-L202 WeakPolarHBondContact O-CG 3.09Å; Q198-L202 PolarHBondContact O-N 3.4Å
199E47.9Very low43.1Very low135 Ų13593.6 Ų93.663%0.63149%0.493SS*.Hα-helixtrans-62.7-45.4175.5-71.5177.7168.200112.6L195 V197 I201 L202 K203L195-E199 PolarHBondContact O-N 3.41Å; V197-E199 VanDerWaalsContact C-N 3.29Å; V197-E199 PolarHBondContact O-N 3.37Å; E199-I201 VanDerWaalsContact C-N 3.31Å; E199-I201 PolarHBondContact O-N 3.19Å; E199-L202 PolarHBondContact O-N 2.97Å; E199-K203 PolarHBondContact O-N 2.79Å; E199-K203 VanDerWaalsContact O-N 3.08Å
200A54.3Low43.7Very low57 Ų5788 Ų8847%0.47147%0.474SS..Hα-helixtrans-61.4-39.8176.200000111.8R196 V197 K203 E204R196-A200 WeakPolarHBondContact O-CB 3.28Å; R196-A200 PolarHBondContact O-N 2.93Å; V197-A200 PolarHBondContact O-N 3.24Å; A200-K203 VanDerWaalsContact O-CB 3.3Å; A200-K203 WeakPolarHBondContact O-CB 3.38Å; A200-K203 PolarHBondContact O-N 2.87Å; A200-E204 PolarHBondContact O-N 3.42Å
201I53.7Low43.8Very low10 Ų1095.3 Ų95.35%0.05149%0.491CS..Hα-helixtrans-69.8-40.7178.3-61.7162.9000111.3V197 Q198 E199 K203 E204 L205 L324 H327 T328V197-I201 HydrophobicContact CG1-CD1 3.55Å; V197-I201 HydrophobicContact CG1-CG1 4.23Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 3.49Å; Q198-I201 PolarHBondContact O-N 3.48Å; E199-I201 VanDerWaalsContact C-N 3.31Å; E199-I201 PolarHBondContact O-N 3.19Å; I201-K203 PolarHBondContact O-N 3.44Å; I201-E204 PolarHBondContact O-N 3.06Å; I201-E204 VanDerWaalsContact O-N 3.12Å; I201-L205 HydrophobicContact CG2-CD1 3.92Å; I201-L205 HydrophobicContact CG2-CG 4.16Å; I201-L205 WeakPolarHBondContact O-CG 3.34Å; I201-L205 PolarHBondContact O-N 3.36Å; I201-L324 HydrophobicContact CG2-CB 3.78Å; I201-L324 HydrophobicContact CG2-CD1 4.38Å; I201-L324 HydrophobicContact CG2-CG 4.49Å; I201-H327 HydrophobicContact CD1-CB 3.87Å; I201-T328 HydrophobicContact CB-CG2 3.59Å; I201-T328 HydrophobicContact CD1-CG2 3.9Å; I201-T328 HydrophobicContact CG1-CG2 4.37Å; I201-T328 HydrophobicContact CG2-CG2 3.26Å
202L55.8Low43.5Very low77 Ų7798.5 Ų98.540%0.40349%0.494SS..Hα-helixtrans-60.7-30.9174.6-73.4171.4000111.6Q198 E199 G206 V210Q198-L202 VanDerWaalsContact O-CG 3.3Å; Q198-L202 WeakPolarHBondContact O-CG 3.09Å; Q198-L202 PolarHBondContact O-N 3.4Å; E199-L202 PolarHBondContact O-N 2.97Å; L202-G206 PolarHBondContact O-N 3.46Å; L202-V210 HydrophobicContact CD2-CG2 3.97Å
203K58.2Low43.3Very low175 Ų17598.7 Ų98.776%0.76150%0.495SS*.Hα-helixtrans-67.4-42.6173.2-161.1179.7-179.1-176.60112.2E199 A200 I201 G206E199-K203 PolarHBondContact O-N 2.79Å; E199-K203 VanDerWaalsContact O-N 3.08Å; A200-K203 VanDerWaalsContact O-CB 3.3Å; A200-K203 WeakPolarHBondContact O-CB 3.38Å; A200-K203 PolarHBondContact O-N 2.87Å; I201-K203 PolarHBondContact O-N 3.44Å; K203-G206 PolarHBondContact O-N 3.29Å
204E55Low42.9Very low106 Ų106102.4 Ų102.450%0.49551%0.512SS..Hα-helixtrans-72.7-33178.3-72.7-58135.200114A200 I201 G206 K321 L324A200-E204 PolarHBondContact O-N 3.42Å; I201-E204 PolarHBondContact O-N 3.06Å; I201-E204 VanDerWaalsContact O-N 3.12Å; E204-G206 PolarHBondContact O-N 3.37Å; E204-K321 WeakPolarHBondContact O-CE 3.3Å; E204-K321 PolarHBondContact O-NZ 3.13Å; E204-L324 HydrophobicContact CB-CD1 4.4Å
205L58.5Low42.3Very low10 Ų10104.3 Ų104.35%0.05253%0.528CS..Hα-helixtrans-69-17.5173.7-71.2174.5000112.1I201 K321 K325I201-L205 HydrophobicContact CG2-CD1 3.92Å; I201-L205 HydrophobicContact CG2-CG 4.16Å; I201-L205 WeakPolarHBondContact O-CG 3.34Å; I201-L205 PolarHBondContact O-N 3.36Å; L205-K321 HydrophobicContact CD2-CB 4.32Å; L205-K321 WeakPolarHBondContact CD2-O 3.49Å; L205-K325 HydrophobicContact CD1-CG 4.41Å; L205-K325 HydrophobicContact CD2-CG 4.18Å
206G48.4Very low41.6Very low30 Ų30109 Ų10931%0.30954%0.539SS..  trans74.8130.8-175.100000110.9L202 K203 E204 E208 E209L202-G206 PolarHBondContact O-N 3.46Å; K203-G206 PolarHBondContact O-N 3.29Å; E204-G206 PolarHBondContact O-N 3.37Å; G206-E208 PolarHBondContact O-N 3.24Å; G206-E209 PolarHBondContact O-N 3.25Å
207S40.5Very low40.7Very low101 Ų101102.4 Ų102.471%0.70653%0.534SS*.THydrogen-bonded Turntrans-58.8-17.9-177.652.60000114.5
208E41.8Very low39.7Very low158 Ų158109.2 Ų109.274%0.73856%0.564SS**THydrogen-bonded Turntrans-72.1-32.8178.7-87.5-172.3146.600114G206 V210 R211G206-E208 PolarHBondContact O-N 3.24Å; E208-V210 VanDerWaalsContact C-N 3.31Å; E208-V210 PolarHBondContact O-N 2.98Å; E208-R211 PolarHBondContact O-N 3.32Å
209E40.8Very low38.8Very low88 Ų88114.1 Ų114.141%0.41159%0.587SS.*G310 helixtrans-72.9-25.1-177.7-96.1-166.9179.900112.7G206 R211 K325 Y330G206-E209 PolarHBondContact O-N 3.25Å; E209-R211 PolarHBondContact O-N 3Å; E209-K325 WeakPolarHBondContact OE2-CE 3.38Å; E209-K325 IonicContact OE2-NZ 3.41Å; E209-K325 PolarHBondContact OE2-NZ 3.48Å; E209-Y330 PolarHBondContact O-OH 3.5Å
210V37.7Very low37.6Very low68 Ų68114.9 Ų114.941%0.41260%0.6SS.*G310 helixtrans-70.2-17.7179.9-173.80000111.8L202 E208L202-V210 HydrophobicContact CD2-CG2 3.97Å; E208-V210 VanDerWaalsContact C-N 3.31Å; E208-V210 PolarHBondContact O-N 2.98Å
211R29.1Very low36.2Very low224 Ų224120.2 Ų120.285%0.84562%0.616SS**G310 helixtrans-101-4.9-176.3-72.4-172.7-177.8175.91.5115.5E208 E209 V213E208-R211 PolarHBondContact O-N 3.32Å; E209-R211 PolarHBondContact O-N 3Å; R211-V213 PolarHBondContact O-N 3.43Å
212K24.5Very low34.7Very low171 Ų171125.5 Ų125.574%0.74365%0.653SS**  trans-85.967.6176.9-71.2-179-179.7175.70110.2
213V24.5Very low33.4Very low111 Ų111130.7 Ų130.767%0.67368%0.678SS**  trans-107.2122.2163.4179.50000106.8R211R211-V213 PolarHBondContact O-N 3.43Å
214N23.5Very low31.8Very low145 Ų145131 Ų13178%0.77568%0.682SS**  trans71.8108.8169.2-163.214.1000116.9
215C22.5Very low30.3Very low109 Ų109132.2 Ų132.274%0.73670%0.697SS**  trans168.6110.7140.4-92.50000107.3
216Y26.4Very low29Very low215 Ų215137.3 Ų137.384%0.84373%0.731SS**  trans177.174133.5-100.2-74.5000108.3Q218Y216-Q218 VanDerWaalsContact CD1-O 3.23Å; Y216-Q218 WeakPolarHBondContact CD1-O 3.48Å; Y216-Q218 WeakPolarHBondContact CE1-O 3.35Å
217G24.5Very low27.8Very low65 Ų65145.2 Ų145.267%0.6776%0.759SS**  trans-101.2144.113400000106.6
218Q24.3Very low27.2Very low172 Ų172145.1 Ų145.180%0.80476%0.758SS**  trans82.2120.3-170.4-51173.6-91.500111.5Y216Y216-Q218 VanDerWaalsContact CD1-O 3.23Å; Y216-Q218 WeakPolarHBondContact CD1-O 3.48Å; Y216-Q218 WeakPolarHBondContact CE1-O 3.35Å
219E22.7Very low26.7Very low169 Ų169146.6 Ų146.679%0.7976%0.763SS**  cis-137132.641-71.2162.6155.400112.1E221E219-E221 PolarHBondContact O-N 3.35Å
220V22.6Very low26.2Very low151 Ų151150.4 Ų150.492%0.91579%0.786SS**  trans-81.692163.3-86.30000107.5
221E25.5Very low25.9Very low170 Ų170155.2 Ų155.279%0.79481%0.808SS**  trans-100.9111.5158.2-76.7-164.2150.200108.7E219 M223E219-E221 PolarHBondContact O-N 3.35Å; E221-M223 PolarHBondContact O-N 2.88Å
222S22.4Very low25.9Very low120 Ų120147.1 Ų147.184%0.83979%0.794SS**  trans-54.897.216847.50000110.3
223M27.4Very low26.2Very low187 Ų187144.3 Ų144.392%0.92180%0.796SS**PPolyproline II helixtrans-95.2117.5163.8-113.5174.5166.600108.7E221E221-M223 PolarHBondContact O-N 2.88Å
224E25Very low26.4Very low182 Ų182148.1 Ų148.185%0.8581%0.807SS**PPolyproline II helixtrans-55.9140.7-177.5-62.3177.1135.500112.1P226E224-P226 VanDerWaalsContact O-CD 3.3Å; E224-P226 WeakPolarHBondContact O-CD 3.49Å
225T24.7Very low26.5Very low130 Ų130146.8 Ų146.880%0.79880%0.804SS**PPolyproline II helixtrans-59.1120.9174.343.70000111.9
226P29.6Very low26.8Very low118 Ų118147.6 Ų147.677%0.76681%0.808SS**  trans-85112.6160-0.620.4000108.4E224 S228E224-P226 VanDerWaalsContact O-CD 3.3Å; E224-P226 WeakPolarHBondContact O-CD 3.49Å; P226-S228 PolarHBondContact O-N 3.21Å
227E24.3Very low26.9Very low196 Ų196146.3 Ų146.392%0.91681%0.81SS**  trans-62.4109.1162.3-67.4-178129.600109.2
228S28.3Very low27Very low98 Ų98147.6 Ų147.669%0.68581%0.814SS**  trans-157.4107.5156.563.30000113.8P226P226-S228 PolarHBondContact O-N 3.21Å
229K31.5Very low27.1Very low190 Ų190147.6 Ų147.683%0.82682%0.818SS**  trans61.491.8136.6-64-178.1179.9176.80117.9L231K229-L231 PolarHBondContact O-N 3.08Å
230D28.8Very low27.2Very low167 Ų167145.4 Ų145.489%0.89382%0.817SS**  trans-16.395138.6-145.3-4.9000113.8
231L30.9Very low27.4Very low169 Ų169148.2 Ų148.289%0.88582%0.817SS**  trans-99.8104.5165.3-95160.9000106.6K229K229-L231 PolarHBondContact O-N 3.08Å
232G30.3Very low27.6Very low54 Ų54146.7 Ų146.756%0.55781%0.814SS**  trans-48.3142.9-174.100000114.3Q234G232-Q234 PolarHBondContact O-N 3.12Å
233S29.8Very low27.7Very low112 Ų112149 Ų14978%0.78382%0.817SS**  trans-40.9102.7168.553.80000112.4T235S233-T235 PolarHBondContact O-N 3.34Å
234Q30.2Very low27.7Very low191 Ų191143.3 Ų143.389%0.89381%0.807SS**  trans-83.293.6160.3-69.7-174.9-800107.5G232G232-Q234 PolarHBondContact O-N 3.12Å
235T25.4Very low27.7Very low118 Ų118144.1 Ų144.172%0.72481%0.813SS**  trans-62.6131.3165.926.20000109.2S233 Q237S233-T235 PolarHBondContact O-N 3.34Å; T235-Q237 PolarHBondContact O-N 3.18Å
236P28.8Very low27.9Very low126 Ų126143.2 Ų143.282%0.81881%0.813SS**  trans-64.8123.4179.7-16.529000110.2A238P236-A238 PolarHBondContact O-N 3.28Å; P236-A238 VanDerWaalsContact O-N 3.14Å
237Q27.7Very low27.6Very low188 Ų188147 Ų14788%0.87982%0.82SS**  trans-61.8112.9175.3-67.9172.62.100109.3T235 L239T235-Q237 PolarHBondContact O-N 3.18Å; Q237-L239 PolarHBondContact O-N 3.26Å
238A26.9Very low28Very low92 Ų92144.2 Ų144.276%0.7682%0.816SS**  trans-68.1115169.500000108.4P236 T240P236-A238 PolarHBondContact O-N 3.28Å; P236-A238 VanDerWaalsContact O-N 3.14Å; A238-T240 PolarHBondContact O-N 2.93Å; A238-T240 VanDerWaalsContact O-N 3.09Å
239L25.7Very low28Very low171 Ų171148.6 Ų148.690%0.89582%0.823SS**  trans-63.7108.9174.7-71.7166.6000109.1Q237 F241Q237-L239 PolarHBondContact O-N 3.26Å; L239-F241 PolarHBondContact O-N 3.39Å
240T25.9Very low27.6Very low124 Ų124147.7 Ų147.776%0.76183%0.827SS**  trans-68.2109.9171.751.60000108.7A238A238-T240 PolarHBondContact O-N 2.93Å; A238-T240 VanDerWaalsContact O-N 3.09Å
241F27Very low27.4Very low209 Ų209148.5 Ų148.592%0.91783%0.825SS**  trans-87.3109.7169.9-138.7-96.6000107.7L239L239-F241 PolarHBondContact O-N 3.39Å
242N29.1Very low27.2Very low138 Ų138149.8 Ų149.874%0.73883%0.827SS**  trans-64143.5-176-89.5-8.1000112.7
243D25.6Very low27Very low168 Ų168153.5 Ų153.590%0.89884%0.839SS**  trans-52.1134.5171-58.1-65.7000113
244G26.3Very low26.9Very low69 Ų69152.8 Ų152.871%0.71183%0.831SS**  trans-165.654.5178.400000111.5
245M25.6Very low26.6Very low198 Ų198147.2 Ų147.298%0.97583%0.826SS**  trans-126.8103.3164.9-98.2168.6177.300109.3
246S29.3Very low26.5Very low112 Ų112152 Ų15278%0.78383%0.831SS**  trans-62.9141.7179.6-510000111.8V248S246-V248 PolarHBondContact O-N 2.9Å
247E23.1Very low26.3Very low196 Ų196152.7 Ų152.792%0.91683%0.833SS**  trans-47.3115.1172.1-63.7167.7150.700111.7
248V31.1Very low26.3Very low139 Ų139149 Ų14984%0.84282%0.823SS**  trans-103.8119.9166.2-1470000106.9S246S246-V248 PolarHBondContact O-N 2.9Å
249K28.4Very low26.3Very low190 Ų190147.7 Ų147.783%0.82681%0.813SS**  trans-60.1140.1-170.9-70.3170.4174.4174.70112.4E251K249-E251 PolarHBondContact O-N 3.34Å
250D23.5Very low26.5Very low170 Ų170144 Ų14491%0.90981%0.806SS**  trans-57.599171.5-57.7-66.1000111.4
251E25.3Very low26.7Very low184 Ų184141.6 Ų141.686%0.8680%0.795SS**  trans-103.6118.1163-87.5-174.2149.600109.8K249 T253K249-E251 PolarHBondContact O-N 3.34Å; E251-T253 PolarHBondContact O-N 3.4Å; E251-T253 VanDerWaalsContact O-N 3.09Å
252Q26.7Very low27Very low197 Ų197136.9 Ų136.992%0.92178%0.779SS**  trans-37.2103.9176-79.8158.1-30.800113.9
253T25.2Very low27Very low131 Ų131138.1 Ų138.180%0.80478%0.782SS**  trans-80.6121.7157.349.30000109.1E251E251-T253 PolarHBondContact O-N 3.4Å; E251-T253 VanDerWaalsContact O-N 3.09Å
254P27.4Very low27.5Very low97 Ų97137.4 Ų137.463%0.6377%0.771SS**  trans-60.7148-179.4-19.530.8000111.7W256P254-W256 VanDerWaalsContact O-CD1 3.24Å; P254-W256 PolarHBondContact O-N 3.33Å; P254-W256 VanDerWaalsContact O-N 3.09Å
255G23.7Very low27.6Very low75 Ų75141.2 Ų141.277%0.77377%0.769SS**  trans-63.5108.217500000111.6
256W23.8Very low27.6Very low218 Ų218138.2 Ų138.283%0.82675%0.752SS**  trans-101.785.5162.7-68.573.7000107.6P254 T258P254-W256 VanDerWaalsContact O-CD1 3.24Å; P254-W256 PolarHBondContact O-N 3.33Å; P254-W256 VanDerWaalsContact O-N 3.09Å; W256-T258 VanDerWaalsContact C-N 3.27Å; W256-T258 PolarHBondContact O-N 3.49Å; W256-T258 VanDerWaalsContact O-N 3.16Å
257T25.7Very low27.6Very low140 Ų140142.1 Ų142.186%0.85975%0.751SS**  trans-76.881162.751.20000108.3
258T26.5Very low28Very low110 Ų110138.6 Ų138.668%0.67574%0.738SS**  trans-134.1126.8165.7-52.80000108.9W256W256-T258 VanDerWaalsContact C-N 3.27Å; W256-T258 PolarHBondContact O-N 3.49Å; W256-T258 VanDerWaalsContact O-N 3.16Å
259A27.8Very low28.1Very low66 Ų66138.4 Ų138.455%0.54573%0.732SS.*  trans-44.6133.2-165.400000115.6S261 D262A259-S261 PolarHBondContact O-N 3.17Å; A259-D262 PolarHBondContact O-N 3.02Å
260A29.8Very low28.3Very low92 Ų92137 Ų13776%0.7672%0.722SS**THydrogen-bonded Turntrans-61.11.2173.500000115.1D262A260-D262 VanDerWaalsContact C-N 3.34Å
261S31Very low28.8Very low75 Ų75131.1 Ų131.152%0.52470%0.702SS.*THydrogen-bonded Turntrans-69.4-32.8173.252.10000112.2A259 K264A259-S261 PolarHBondContact O-N 3.17Å; S261-K264 PolarHBondContact O-N 3.19Å
262D31.3Very low29.3Very low109 Ų109130 Ų13058%0.58370%0.697SS**Hα-helixtrans-87.6-27-167.2-64.72.1000111.9A259 A260 K264 F265A259-D262 PolarHBondContact O-N 3.02Å; A260-D262 VanDerWaalsContact C-N 3.34Å; D262-K264 PolarHBondContact O-N 3.48Å; D262-F265 PolarHBondContact O-N 2.87Å; D262-F265 VanDerWaalsContact O-N 3.14Å
263M31.1Very low30Very low164 Ų164129.4 Ų129.481%0.80869%0.693SS**Hα-helixtrans-68-22.7171.1-110.2170.967.400113F265M263-F265 VanDerWaalsContact C-N 3.3Å
264K35.6Very low31.1Very low154 Ų154130.1 Ų130.167%0.6768%0.681SS**Hα-helixtrans-75.4-24174.6-162.5169.7-176.3177.50111.9S261 D262 L268S261-K264 PolarHBondContact O-N 3.19Å; D262-K264 PolarHBondContact O-N 3.48Å; K264-L268 WeakPolarHBondContact O-CG 3.39Å
265F28.3Very low32.2Very low149 Ų149133.6 Ų133.665%0.65469%0.689SS**Hα-helixtrans-78.5-35.7-178.7-140.5-93.5000112.3D262 M263 L269D262-F265 PolarHBondContact O-N 2.87Å; D262-F265 VanDerWaalsContact O-N 3.14Å; M263-F265 VanDerWaalsContact C-N 3.3Å; F265-L269 HydrophobicContact CD1-CD1 4.14Å; F265-L269 HydrophobicContact CE1-CD1 4.15Å
266E25.4Very low34.5Very low135 Ų135136.3 Ų136.363%0.63168%0.682SS**Hα-helixtrans-69.9-36.6173.7-87.7-149.3139.400113L268 L269 Y270E266-L268 PolarHBondContact O-N 3.36Å; E266-L269 PolarHBondContact O-N 3.34Å; E266-Y270 VanDerWaalsContact O-CD2 3.28Å; E266-Y270 WeakPolarHBondContact O-CD2 3.3Å; E266-Y270 PolarHBondContact O-N 2.94Å
267Y28.7Very low36.9Very low193 Ų193128.7 Ų128.776%0.75766%0.657SS**Hα-helixtrans-67.1-23.5-179.7-157.3-95.6000113.3
268L32.8Very low39.3Very low123 Ų123124.2 Ų124.264%0.64463%0.634SS**Hα-helixtrans-83.1-25.5179.2-72.1171.6000113.7K264 E266 G271K264-L268 WeakPolarHBondContact O-CG 3.39Å; E266-L268 PolarHBondContact O-N 3.36Å; L268-G271 PolarHBondContact O-N 3.34Å
269L32.2Very low41.3Very low135 Ų135119.1 Ų119.171%0.70760%0.602SS**Hα-helixtrans-78.1-27.3173.3-95.1117000112.6F265 E266 G271F265-L269 HydrophobicContact CD1-CD1 4.14Å; F265-L269 HydrophobicContact CE1-CD1 4.15Å; E266-L269 PolarHBondContact O-N 3.34Å; L269-G271 PolarHBondContact O-N 3.15Å; L269-G271 VanDerWaalsContact O-N 3.14Å
270Y32.8Very low43.4Very low159 Ų159124.8 Ų124.862%0.62462%0.618SS**THydrogen-bonded Turntrans-84.739.6163.7-59.7-76.1000111.5E266 H272E266-Y270 VanDerWaalsContact O-CD2 3.28Å; E266-Y270 WeakPolarHBondContact O-CD2 3.3Å; E266-Y270 PolarHBondContact O-N 2.94Å; Y270-H272 PolarHBondContact O-N 3.28Å
271G33.2Very low44.8Very low48 Ų48123.7 Ų123.750%0.49561%0.609SS.*  trans-54.487.6151.700000106.5L268 L269 H273L268-G271 PolarHBondContact O-N 3.34Å; L269-G271 PolarHBondContact O-N 3.15Å; L269-G271 VanDerWaalsContact O-N 3.14Å; G271-H273 PolarHBondContact O-N 3.5Å
272H37.3Very low46.3Very low161 Ų161122.9 Ų122.975%0.74560%0.603SS**  trans-48.499.3172.4-89.5-92.1000104.8Y270 R274Y270-H272 PolarHBondContact O-N 3.28Å; H272-R274 HydrophobicContact CB-CB 4.31Å; H272-R274 PolarHBondContact O-N 3.15Å
273H40.7Very low47.7Very low183 Ų183120.1 Ų120.185%0.84760%0.599SS**  trans-53.184.3145.8-82.3-82.1000103.4G271 E275G271-H273 PolarHBondContact O-N 3.5Å; H273-E275 PolarHBondContact O-N 3.17Å
274R47.8Very low49.3Very low146 Ų146118.5 Ų118.555%0.55159%0.588SS**  trans-77.984.5-172.6-159.6175.5-176.3164.54.7102.4H272 Q276 S287 D288H272-R274 HydrophobicContact CB-CB 4.31Å; H272-R274 PolarHBondContact O-N 3.15Å; R274-Q276 PolarHBondContact O-N 3.18Å; R274-S287 WeakPolarHBondContact CD-O 3.46Å; R274-S287 VanDerWaalsContact CG-O 3.25Å; R274-S287 WeakPolarHBondContact CG-O 3.18Å; R274-S287 PolarHBondContact NE-O 2.9Å; R274-D288 IonicContact NH2-OD2 3.67Å
275E51.6Low50.7Low171 Ų171114.8 Ų114.880%0.79958%0.578SS**  trans-44.8110.8-179-75.1-174.4160.100106.7H273 I277H273-E275 PolarHBondContact O-N 3.17Å; E275-I277 PolarHBondContact O-N 3.31Å
276Q71.5Confident52.4Low132 Ų132109.6 Ų109.662%0.61756%0.556SS**PPolyproline II helixtrans-74.3121.8-177.9-61.8-162.4-13.100107.1R274 T285 F286R274-Q276 PolarHBondContact O-N 3.18Å; Q276-T285 HydrophobicContact CB-CG2 4.47Å; Q276-T285 PolarHBondContact OE1-OG1 2.97Å; Q276-F286 CarbonylContact C-O 3.54Å; Q276-F286 VanDerWaalsContact CA-O 3.28Å; Q276-F286 WeakPolarHBondContact CA-O 3.47Å
277I75.1Confident54.8Low58 Ų58104.6 Ų104.630%0.29754%0.535SS..EExtended strand (participates in β ladder)trans-89.5117.9-177.5-38.4-178.3000107.2E275 T285 F286 E289 L292E275-I277 PolarHBondContact O-N 3.31Å; I277-T285 CarbonylContact O-C 3.55Å; I277-T285 WeakPolarHBondContact O-CA 3.26Å; I277-F286 PolarHBondContact N-O 2.91Å; I277-F286 PolarHBondContact O-N 3.43Å; I277-E289 HydrophobicContact CD1-CB 3.89Å; I277-E289 WeakPolarHBondContact CD1-OE2 3.4Å; I277-L292 HydrophobicContact CB-CD2 3.9Å; I277-L292 HydrophobicContact CG2-CD2 3.34Å
278A75.6Confident57.1Low45 Ų4597.6 Ų97.637%0.37251%0.511SS..EExtended strand (participates in β ladder)trans-87.3137.1-178.500000111.2Q280 K284 T285A278-Q280 PolarHBondContact O-N 3.16Å; A278-K284 CarbonylContact C-O 3.57Å; A278-K284 WeakPolarHBondContact CA-O 3.41Å; A278-T285 HydrophobicContact CB-CG2 4.07Å
279C66.9Low59.2Low3 Ų395.9 Ų95.92%0.0250%0.5CS..PPolyproline II helixtrans-71.4123.9170.3-177.50000110.5A281 C282 G283 K284 F286 L292 H295 H299C279-A281 PolarHBondContact O-N 3.44Å; C279-A281 PolarHBondContact SG-N 2.8Å; C279-C282 PolarHBondContact O-N 3.09Å; C279-G283 VanDerWaalsContact O-CA 3.26Å; C279-G283 WeakPolarHBondContact O-CA 3.45Å; C279-G283 PolarHBondContact O-N 3.3Å; C279-K284 PolarHBondContact N-O 3.25Å; C279-F286 HydrophobicContact CB-CE2 4.29Å; C279-L292 HydrophobicContact CB-CD1 3.61Å; C279-H295 VanDerWaalsContact CB-CD2 3.47Å; C279-H295 WeakPolarHBondContact CB-CD2 3.46Å; C279-H295 VanDerWaalsContact CB-NE2 3.34Å; C279-H295 WeakPolarHBondContact CB-NE2 3.44Å; C279-H295 VanDerWaalsContact SG-CD2 3.59Å; C279-H295 PolarHBondContact SG-NE2 3.12Å; C279-H295 VanDerWaalsContact SG-NE2 3.38Å; C279-H299 PolarHBondContact SG-CD2 3.26Å; C279-H299 PolarHBondContact SG-NE2 3.36Å; C279-H299 VanDerWaalsContact SG-NE2 3.38Å
280Q72.1Confident61.3Low185 Ų18591.4 Ų91.486%0.86449%0.486SS*.THydrogen-bonded Turntrans-63.8-24.7179-64.1-67.6-1300113.2A278A278-Q280 PolarHBondContact O-N 3.16Å
281A60.5Low62.9Low69 Ų6990.5 Ų90.557%0.5748%0.481SS*.THydrogen-bonded Turntrans-85.8-24.9-17700000114.3C279 H299C279-A281 PolarHBondContact O-N 3.44Å; C279-A281 PolarHBondContact SG-N 2.8Å; A281-H299 HydrophobicContact CB-CB 4.49Å
282C60.9Low64.6Low59 Ų5988.5 Ų88.540%0.39946%0.459SS..THydrogen-bonded Turntrans-141.82.7-179.672.60000116C279 K284 H295 H299C279-C282 PolarHBondContact O-N 3.09Å; C282-K284 PolarHBondContact O-N 2.99Å; C282-H295 PolarHBondContact SG-CE1 2.72Å; C282-H295 PolarHBondContact SG-NE2 3Å; C282-H299 PolarHBondContact SG-NE2 3.19Å; C282-H299 VanDerWaalsContact SG-NE2 3.42Å
283G61.3Low66.2Low50 Ų5088.9 Ų88.952%0.51545%0.454SS..  trans74.5-2.617800000115.7C279 T285C279-G283 VanDerWaalsContact O-CA 3.26Å; C279-G283 WeakPolarHBondContact O-CA 3.45Å; C279-G283 PolarHBondContact O-N 3.3Å; G283-T285 PolarHBondContact O-N 3.18Å
284K64.9Low67.4Low131 Ų13187.4 Ų87.457%0.5745%0.445SS*.  trans-64.7135.1179.3-72.3-176.7-175.5-179.30111.4A278 C279 C282 F286A278-K284 CarbonylContact C-O 3.57Å; A278-K284 WeakPolarHBondContact CA-O 3.41Å; C279-K284 PolarHBondContact N-O 3.25Å; C282-K284 PolarHBondContact O-N 2.99Å; K284-F286 HydrophobicContact CB-CE2 3.71Å; K284-F286 HydrophobicContact CB-CZ 3.84Å; K284-F286 WeakPolarHBondContact O-CD2 3.49Å; K284-F286 WeakPolarHBondContact O-CE2 3.49Å
285T65.1Low68.3Low76 Ų7681.2 Ų81.247%0.46642%0.423SS..EExtended strand (participates in β ladder)trans-100.1143.3-176.361.20000112.1Q276 I277 A278 G283Q276-T285 HydrophobicContact CB-CG2 4.47Å; Q276-T285 PolarHBondContact OE1-OG1 2.97Å; I277-T285 CarbonylContact O-C 3.55Å; I277-T285 WeakPolarHBondContact O-CA 3.26Å; A278-T285 HydrophobicContact CB-CG2 4.07Å; G283-T285 PolarHBondContact O-N 3.18Å
286F65Low68.9Low40 Ų4076 Ų7618%0.17540%0.398CS..EExtended strand (participates in β ladder)trans-132.4148-175.1-62.1-85.8000111.6Q276 I277 C279 K284 D288 R291 L292 H295Q276-F286 CarbonylContact C-O 3.54Å; Q276-F286 VanDerWaalsContact CA-O 3.28Å; Q276-F286 WeakPolarHBondContact CA-O 3.47Å; I277-F286 PolarHBondContact N-O 2.91Å; I277-F286 PolarHBondContact O-N 3.43Å; C279-F286 HydrophobicContact CB-CE2 4.29Å; K284-F286 HydrophobicContact CB-CE2 3.71Å; K284-F286 HydrophobicContact CB-CZ 3.84Å; K284-F286 WeakPolarHBondContact O-CD2 3.49Å; K284-F286 WeakPolarHBondContact O-CE2 3.49Å; F286-D288 VanDerWaalsContact C-N 3.26Å; F286-D288 PolarHBondContact O-N 3.39Å; F286-R291 HydrophobicContact CB-CB 4.25Å; F286-R291 HydrophobicContact CD1-CB 3.99Å; F286-R291 HydrophobicContact CG-CB 4.45Å; F286-L292 HydrophobicContact CB-CB 4.13Å; F286-L292 HydrophobicContact CD2-CB 4.04Å; F286-L292 HydrophobicContact CD2-CD1 3.6Å; F286-L292 HydrophobicContact CD2-CG 4.42Å; F286-L292 HydrophobicContact CE2-CD1 3.92Å; F286-L292 HydrophobicContact CG-CB 4.21Å; F286-H295 HydrophobicContact CD1-CB 4.45Å; F286-H295 HydrophobicContact CE1-CB 3.66Å; F286-H295 AromaticContact CE1-CG 3.92Å; F286-H295 HydrophobicContact CE2-CB 3.79Å; F286-H295 AromaticContact CE2-CD2 3.28Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.2Å; F286-H295 AromaticContact CE2-CG 3.45Å; F286-H295 VanDerWaalsContact CE2-CG 3.45Å; F286-H295 AromaticContact CE2-NE2 3.86Å; F286-H295 HydrophobicContact CZ-CB 3.3Å; F286-H295 AromaticContact CZ-CD2 3.44Å; F286-H295 VanDerWaalsContact CZ-CD2 3.44Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.43Å; F286-H295 AromaticContact CZ-CE1 3.98Å; F286-H295 AromaticContact CZ-CG 3.06Å; F286-H295 AromaticContact CZ-ND1 3.46Å; F286-H295 WeakPolarHBondContact CZ-ND1 3.22Å; F286-H295 AromaticContact CZ-NE2 3.96Å
287S74.5Confident68.5Low29 Ų2976.4 Ų76.420%0.20340%0.398CS..SBendtrans-74-12.7-178.761.30000114.8R274 R291R274-S287 WeakPolarHBondContact CD-O 3.46Å; R274-S287 VanDerWaalsContact CG-O 3.25Å; R274-S287 WeakPolarHBondContact CG-O 3.18Å; R274-S287 PolarHBondContact NE-O 2.9Å; S287-R291 PolarHBondContact OG-NH1 3.23Å
288D76.7Confident67.7Low46 Ų4677.9 Ų77.925%0.24641%0.406CS..SBendtrans-162.1158.3179.356.973.4000110.5R274 F286 G290 R291 L292R274-D288 IonicContact NH2-OD2 3.67Å; F286-D288 VanDerWaalsContact C-N 3.26Å; F286-D288 PolarHBondContact O-N 3.39Å; D288-G290 PolarHBondContact O-N 3.41Å; D288-G290 PolarHBondContact OD1-N 2.92Å; D288-R291 PolarHBondContact O-N 2.87Å; D288-R291 WeakPolarHBondContact OD1-CB 3.46Å; D288-R291 WeakPolarHBondContact OD1-CG 3.47Å; D288-R291 PolarHBondContact OD1-N 3.42Å; D288-R291 IonicContact OD2-NE 3.82Å; D288-L292 PolarHBondContact O-N 2.95Å; D288-L292 VanDerWaalsContact O-N 3.08Å
289E78Confident67.1Low88 Ų8879.8 Ų79.841%0.41141%0.407SS..Hα-helixtrans-62.8-30-179-173.656.8-145.900112.2I277 L292 R293I277-E289 HydrophobicContact CD1-CB 3.89Å; I277-E289 WeakPolarHBondContact CD1-OE2 3.4Å; E289-L292 PolarHBondContact O-N 3.49Å; E289-R293 WeakPolarHBondContact O-CB 3.27Å; E289-R293 PolarHBondContact O-N 3.46Å
290G74.9Confident66.6Low40 Ų4084.7 Ų84.741%0.41244%0.437SS..Hα-helixtrans-66.4-40.9178.800000112.5D288 K294D288-G290 PolarHBondContact O-N 3.41Å; D288-G290 PolarHBondContact OD1-N 2.92Å; G290-K294 WeakPolarHBondContact O-CG 3.3Å; G290-K294 PolarHBondContact O-N 3.46Å; G290-K294 VanDerWaalsContact O-N 3.1Å
291R67.6Low65.5Low141 Ų14180 Ų8053%0.53243%0.43SS..Hα-helixtrans-71-40.4173.1-73.1178.8-179.1171.2-1.8111.6F286 S287 D288 K294 H295F286-R291 HydrophobicContact CB-CB 4.25Å; F286-R291 HydrophobicContact CD1-CB 3.99Å; F286-R291 HydrophobicContact CG-CB 4.45Å; S287-R291 PolarHBondContact OG-NH1 3.23Å; D288-R291 PolarHBondContact O-N 2.87Å; D288-R291 WeakPolarHBondContact OD1-CB 3.46Å; D288-R291 WeakPolarHBondContact OD1-CG 3.47Å; D288-R291 PolarHBondContact OD1-N 3.42Å; D288-R291 IonicContact OD2-NE 3.82Å; R291-K294 PolarHBondContact O-N 3.35Å; R291-H295 WeakPolarHBondContact O-CB 3.37Å; R291-H295 PolarHBondContact O-N 3.4Å
292L69.7Low65.6Low5 Ų582.8 Ų82.83%0.02644%0.435CS..Hα-helixtrans-58.2-52.9172.2175.461.6000110.5I277 C279 F286 D288 E289 K294 H295 E296I277-L292 HydrophobicContact CB-CD2 3.9Å; I277-L292 HydrophobicContact CG2-CD2 3.34Å; C279-L292 HydrophobicContact CB-CD1 3.61Å; F286-L292 HydrophobicContact CB-CB 4.13Å; F286-L292 HydrophobicContact CD2-CB 4.04Å; F286-L292 HydrophobicContact CD2-CD1 3.6Å; F286-L292 HydrophobicContact CD2-CG 4.42Å; F286-L292 HydrophobicContact CE2-CD1 3.92Å; F286-L292 HydrophobicContact CG-CB 4.21Å; D288-L292 PolarHBondContact O-N 2.95Å; D288-L292 VanDerWaalsContact O-N 3.08Å; E289-L292 PolarHBondContact O-N 3.49Å; L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 3.31Å; L292-H295 CarbonylContact O-C 3.59Å; L292-H295 VanDerWaalsContact O-CA 3.32Å; L292-H295 WeakPolarHBondContact O-CA 3.42Å; L292-H295 VanDerWaalsContact O-CB 3.28Å; L292-H295 WeakPolarHBondContact O-CB 3.32Å; L292-H295 PolarHBondContact O-N 2.86Å; L292-E296 HydrophobicContact CD1-CG 3.86Å; L292-E296 HydrophobicContact CG-CG 4.08Å; L292-E296 WeakPolarHBondContact O-CG 3.24Å; L292-E296 PolarHBondContact O-N 2.8Å
293R70.6Confident65.7Low170 Ų17084.5 Ų84.564%0.64243%0.433SS*.Hα-helixtrans-54.4-42.7175.8-103.1-177.7172.5-168.7-1.1113.4E289 H295 E296 K297E289-R293 WeakPolarHBondContact O-CB 3.27Å; E289-R293 PolarHBondContact O-N 3.46Å; R293-H295 VanDerWaalsContact C-N 3.27Å; R293-H295 PolarHBondContact O-N 3.09Å; R293-E296 PolarHBondContact O-N 2.78Å; R293-K297 WeakPolarHBondContact O-CG 3.48Å; R293-K297 PolarHBondContact O-N 3.24Å
294K64.5Low65.9Low152 Ų15286.6 Ų86.666%0.66144%0.437SS*.Hα-helixtrans-63.4-36.4175.5-77.3177.2-176.41790111.7G290 R291 L292 K297G290-K294 WeakPolarHBondContact O-CG 3.3Å; G290-K294 PolarHBondContact O-N 3.46Å; G290-K294 VanDerWaalsContact O-N 3.1Å; R291-K294 PolarHBondContact O-N 3.35Å; L292-K294 VanDerWaalsContact C-N 3.3Å; L292-K294 PolarHBondContact O-N 3.31Å; K294-K297 WeakPolarHBondContact O-CB 3.48Å
295H66.6Low66.1Low16 Ų1683.6 Ų83.67%0.07443%0.425CS..Hα-helixtrans-72-40.5173.9165.477.1000112.2C279 C282 F286 R291 L292 R293 K297 L298 H299C279-H295 VanDerWaalsContact CB-CD2 3.47Å; C279-H295 WeakPolarHBondContact CB-CD2 3.46Å; C279-H295 VanDerWaalsContact CB-NE2 3.34Å; C279-H295 WeakPolarHBondContact CB-NE2 3.44Å; C279-H295 VanDerWaalsContact SG-CD2 3.59Å; C279-H295 PolarHBondContact SG-NE2 3.12Å; C279-H295 VanDerWaalsContact SG-NE2 3.38Å; C282-H295 PolarHBondContact SG-CE1 2.72Å; C282-H295 PolarHBondContact SG-NE2 3Å; F286-H295 HydrophobicContact CD1-CB 4.45Å; F286-H295 HydrophobicContact CE1-CB 3.66Å; F286-H295 AromaticContact CE1-CG 3.92Å; F286-H295 HydrophobicContact CE2-CB 3.79Å; F286-H295 AromaticContact CE2-CD2 3.28Å; F286-H295 WeakPolarHBondContact CE2-CD2 3.2Å; F286-H295 AromaticContact CE2-CG 3.45Å; F286-H295 VanDerWaalsContact CE2-CG 3.45Å; F286-H295 AromaticContact CE2-NE2 3.86Å; F286-H295 HydrophobicContact CZ-CB 3.3Å; F286-H295 AromaticContact CZ-CD2 3.44Å; F286-H295 VanDerWaalsContact CZ-CD2 3.44Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.43Å; F286-H295 AromaticContact CZ-CE1 3.98Å; F286-H295 AromaticContact CZ-CG 3.06Å; F286-H295 AromaticContact CZ-ND1 3.46Å; F286-H295 WeakPolarHBondContact CZ-ND1 3.22Å; F286-H295 AromaticContact CZ-NE2 3.96Å; R291-H295 WeakPolarHBondContact O-CB 3.37Å; R291-H295 PolarHBondContact O-N 3.4Å; L292-H295 CarbonylContact O-C 3.59Å; L292-H295 VanDerWaalsContact O-CA 3.32Å; L292-H295 WeakPolarHBondContact O-CA 3.42Å; L292-H295 VanDerWaalsContact O-CB 3.28Å; L292-H295 WeakPolarHBondContact O-CB 3.32Å; L292-H295 PolarHBondContact O-N 2.86Å; R293-H295 VanDerWaalsContact C-N 3.27Å; R293-H295 PolarHBondContact O-N 3.09Å; H295-K297 PolarHBondContact O-N 3.14Å; H295-L298 WeakPolarHBondContact O-CA 3.2Å; H295-L298 WeakPolarHBondContact O-CB 3.36Å; H295-L298 VanDerWaalsContact O-CG 3.29Å; H295-L298 WeakPolarHBondContact O-CG 3.41Å; H295-L298 PolarHBondContact O-N 3.19Å; H295-H299 AromaticContact CE1-NE2 3.62Å; H295-H299 AromaticContact NE2-CD2 3.74Å; H295-H299 AromaticContact NE2-NE2 3.22Å; H295-H299 PolarHBondContact NE2-NE2 2.93Å
296E65.8Low66.3Low62 Ų6283.4 Ų83.429%0.2942%0.423SS..Hα-helixtrans-63.2-29.4174.9-70.9-177149.200111.9L292 R293 L298 H299 T300L292-E296 HydrophobicContact CD1-CG 3.86Å; L292-E296 HydrophobicContact CG-CG 4.08Å; L292-E296 WeakPolarHBondContact O-CG 3.24Å; L292-E296 PolarHBondContact O-N 2.8Å; R293-E296 PolarHBondContact O-N 2.78Å; E296-L298 PolarHBondContact O-N 3.06Å; E296-H299 CarbonylContact O-C 3.41Å; E296-H299 WeakPolarHBondContact O-CA 3.29Å; E296-H299 VanDerWaalsContact O-CB 3.27Å; E296-H299 WeakPolarHBondContact O-CB 3.49Å; E296-H299 PolarHBondContact O-N 3.03Å; E296-T300 PolarHBondContact O-N 2.99Å; E296-T300 PolarHBondContact O-OG1 3.1Å
297K62.9Low66.4Low140 Ų14081.6 Ų81.661%0.60942%0.415SS*.Hα-helixtrans-61.1-22.5167.1-72.2178.2-176.5-167.30113.5R293 K294 H295 H299 T300R293-K297 WeakPolarHBondContact O-CG 3.48Å; R293-K297 PolarHBondContact O-N 3.24Å; K294-K297 WeakPolarHBondContact O-CB 3.48Å; H295-K297 PolarHBondContact O-N 3.14Å; K297-H299 VanDerWaalsContact C-N 3.26Å; K297-T300 WeakPolarHBondContact CA-OG1 3.17Å
298L57.4Low66.2Low89 Ų8989.1 Ų89.147%0.46645%0.447SS..Hα-helixtrans-70.3-28.2169.6-52.3173.6000111.1H295 E296H295-L298 WeakPolarHBondContact O-CA 3.2Å; H295-L298 WeakPolarHBondContact O-CB 3.36Å; H295-L298 VanDerWaalsContact O-CG 3.29Å; H295-L298 WeakPolarHBondContact O-CG 3.41Å; H295-L298 PolarHBondContact O-N 3.19Å; E296-L298 PolarHBondContact O-N 3.06Å
299H64.1Low65.5Low85 Ų8591.6 Ų91.639%0.39446%0.459SS..Hα-helixtrans-81.9-41.8172.6-65-64.8000112C279 A281 C282 H295 E296 K297 A301C279-H299 PolarHBondContact SG-CD2 3.26Å; C279-H299 PolarHBondContact SG-NE2 3.36Å; C279-H299 VanDerWaalsContact SG-NE2 3.38Å; A281-H299 HydrophobicContact CB-CB 4.49Å; C282-H299 PolarHBondContact SG-NE2 3.19Å; C282-H299 VanDerWaalsContact SG-NE2 3.42Å; H295-H299 AromaticContact CE1-NE2 3.62Å; H295-H299 AromaticContact NE2-CD2 3.74Å; H295-H299 AromaticContact NE2-NE2 3.22Å; H295-H299 PolarHBondContact NE2-NE2 2.93Å; E296-H299 CarbonylContact O-C 3.41Å; E296-H299 WeakPolarHBondContact O-CA 3.29Å; E296-H299 VanDerWaalsContact O-CB 3.27Å; E296-H299 WeakPolarHBondContact O-CB 3.49Å; E296-H299 PolarHBondContact O-N 3.03Å; K297-H299 VanDerWaalsContact C-N 3.26Å; H299-A301 VanDerWaalsContact C-N 3.33Å; H299-A301 PolarHBondContact O-N 2.94Å
300T56.3Low65Low106 Ų10689.9 Ų89.965%0.6546%0.456SS*.SBendtrans-9330.5-169.854.80000115.1E296 K297E296-T300 PolarHBondContact O-N 2.99Å; E296-T300 PolarHBondContact O-OG1 3.1Å; K297-T300 WeakPolarHBondContact CA-OG1 3.17Å
301A48.2Very low64.8Low86 Ų8693.6 Ų93.671%0.71147%0.471SS*.SBendtrans79103.1170.500000117.4H299H299-A301 VanDerWaalsContact C-N 3.33Å; H299-A301 PolarHBondContact O-N 2.94Å
302D61.9Low64.9Low128 Ų12892.4 Ų92.468%0.68447%0.469SS*.SBend-151.329.5124.8-150.54.5000110.9P304 T315D302-P304 VanDerWaalsContact C-CD 3.48Å; D302-T315 WeakPolarHBondContact O-CG2 3.35Å
303R63.9Low65Low94 Ų9493 Ų9336%0.35548%0.476SS..  trans-130.764.8179.2-70.6-174.6174.1-120-2.2110.1F305 G313 F314 T315R303-F305 PolarHBondContact O-N 2.78Å; R303-G313 WeakPolarHBondContact CD-O 3.34Å; R303-G313 PolarHBondContact NH1-O 2.92Å; R303-F314 CarbonylContact C-O 3.46Å; R303-F314 VanDerWaalsContact C-O 3.26Å; R303-F314 WeakPolarHBondContact CA-O 3.23Å; R303-F314 WeakPolarHBondContact CB-O 3.14Å; R303-T315 HydrophobicContact CG-CG2 3.77Å
304P64.8Low65.2Low94 Ų9485.9 Ų85.961%0.6145%0.45SS*.  trans-63.4-15.3-174.225.5-32.7000113.1D302D302-P304 VanDerWaalsContact C-CD 3.48Å
305F70.5Confident65.7Low68 Ų6881.8 Ų81.830%0.29844%0.438SS..EExtended strand (participates in β ladder)trans-102.498.2-176.8-54.1-70.3000109.9R303 G313 F314 Q317 L320R303-F305 PolarHBondContact O-N 2.78Å; F305-G313 CarbonylContact O-C 3.45Å; F305-F314 HydrophobicContact CB-CB 4.33Å; F305-F314 PolarHBondContact N-O 3.18Å; F305-F314 WeakPolarHBondContact O-CA 3.37Å; F305-F314 WeakPolarHBondContact O-CB 3.18Å; F305-F314 WeakPolarHBondContact O-CD2 3.45Å; F305-F314 PolarHBondContact O-N 3.38Å; F305-Q317 HydrophobicContact CD1-CB 3.87Å; F305-Q317 HydrophobicContact CD1-CG 4.34Å; F305-Q317 HydrophobicContact CD2-CB 4.29Å; F305-Q317 HydrophobicContact CE1-CB 3.67Å; F305-Q317 HydrophobicContact CE1-CG 4.24Å; F305-Q317 HydrophobicContact CE2-CB 4.1Å; F305-Q317 VanDerWaalsContact CE2-N 3.29Å; F305-Q317 HydrophobicContact CG-CB 4.16Å; F305-Q317 HydrophobicContact CZ-CB 3.79Å; F305-L320 HydrophobicContact CB-CB 3.9Å; F305-L320 HydrophobicContact CB-CD2 3.75Å; F305-L320 HydrophobicContact CB-CG 4.43Å
306V68.4Low66.2Low73 Ų7383.7 Ų83.744%0.44245%0.451SS..EExtended strand (participates in β ladder)trans-103135.6-179.4-177.60000110E308V306-E308 PolarHBondContact O-N 3.36Å
307C68.1Low66.9Low1 Ų183.9 Ų83.91%0.00745%0.452CS..  trans-74.8117.1168.6179.70000109.5M309 T311 K312 F314 L320 H323 H327C307-M309 PolarHBondContact O-N 3.25Å; C307-T311 WeakPolarHBondContact O-CA 3.47Å; C307-T311 PolarHBondContact O-N 2.81Å; C307-K312 PolarHBondContact N-O 3.33Å; C307-F314 HydrophobicContact CB-CE2 4.13Å; C307-L320 HydrophobicContact CB-CD1 3.73Å; C307-H323 WeakPolarHBondContact CB-NE2 3.39Å; C307-H323 PolarHBondContact SG-NE2 3.14Å; C307-H327 PolarHBondContact SG-NE2 3.07Å; C307-H327 VanDerWaalsContact SG-NE2 3.39Å
308E69.4Low67.7Low187 Ų18780.4 Ų80.487%0.87445%0.45SS*.THydrogen-bonded Turntrans-66.4-21.3179.7-61.6-175.117200113.1V306V306-E308 PolarHBondContact O-N 3.36Å
309M62Low68.9Low98 Ų9880.7 Ų80.748%0.48345%0.448SS..THydrogen-bonded Turntrans-81.2-35.6-177.7-63.3-58.8-59.800114V197 C307V197-M309 HydrophobicContact CB-CE 4.41Å; V197-M309 HydrophobicContact CB-SD 4.27Å; V197-M309 HydrophobicContact CG1-CE 3.68Å; V197-M309 HydrophobicContact CG1-CG 4.1Å; V197-M309 HydrophobicContact CG1-SD 3.42Å; V197-M309 WeakPolarHBondContact CG1-SD 3.48Å; V197-M309 HydrophobicContact CG2-CE 4.05Å; V197-M309 HydrophobicContact CG2-SD 3.77Å; C307-M309 PolarHBondContact O-N 3.25Å
310C68.2Low69.7Low52 Ų5277.4 Ų77.435%0.35143%0.433SS..THydrogen-bonded Turntrans-127.28.5-179.169.70000113.7K312 H323C310-K312 PolarHBondContact O-N 2.86Å; C310-K312 VanDerWaalsContact SG-CB 3.51Å; C310-H323 PolarHBondContact SG-CE1 3.39Å; C310-H323 PolarHBondContact SG-NE2 3.21Å
311T69Low70.9Confident118 Ų11876 Ų7672%0.72442%0.418SS*.  trans58.710.4-179.470.80000115.2C307 G313C307-T311 WeakPolarHBondContact O-CA 3.47Å; C307-T311 PolarHBondContact O-N 2.81Å; T311-G313 PolarHBondContact O-N 3.34Å
312K71.6Confident72.5Confident116 Ų11674.5 Ų74.550%0.50440%0.396SS..  trans-72.5118.9-179.2-167.6170.5-177.3177.10109.9C307 C310 F314C307-K312 PolarHBondContact N-O 3.33Å; C310-K312 PolarHBondContact O-N 2.86Å; C310-K312 VanDerWaalsContact SG-CB 3.51Å; K312-F314 HydrophobicContact CB-CE2 4.06Å; K312-F314 HydrophobicContact CB-CZ 4.18Å; K312-F314 HydrophobicContact CD-CE1 4.45Å; K312-F314 HydrophobicContact CD-CZ 3.84Å; K312-F314 HydrophobicContact CG-CE2 4.08Å; K312-F314 HydrophobicContact CG-CZ 3.82Å; K312-F314 VanDerWaalsContact O-CD2 3.27Å; K312-F314 WeakPolarHBondContact O-CD2 3.5Å; K312-F314 WeakPolarHBondContact O-CE2 3.38Å
313G71.2Confident73.5Confident17 Ų1769.2 Ų69.218%0.17537%0.368CS..EExtended strand (participates in β ladder)trans-79.5148.9174.400000112.8R303 F305 T311R303-G313 WeakPolarHBondContact CD-O 3.34Å; R303-G313 PolarHBondContact NH1-O 2.92Å; F305-G313 CarbonylContact O-C 3.45Å; T311-G313 PolarHBondContact O-N 3.34Å
314F74.3Confident74.3Confident22 Ų2265.6 Ų65.610%0.09636%0.355CS..EExtended strand (participates in β ladder)trans-132.8144.4177-60.2-89.2000110.4R303 F305 C307 K312 T316 H319 L320 H323R303-F314 CarbonylContact C-O 3.46Å; R303-F314 VanDerWaalsContact C-O 3.26Å; R303-F314 WeakPolarHBondContact CA-O 3.23Å; R303-F314 WeakPolarHBondContact CB-O 3.14Å; F305-F314 HydrophobicContact CB-CB 4.33Å; F305-F314 PolarHBondContact N-O 3.18Å; F305-F314 WeakPolarHBondContact O-CA 3.37Å; F305-F314 WeakPolarHBondContact O-CB 3.18Å; F305-F314 WeakPolarHBondContact O-CD2 3.45Å; F305-F314 PolarHBondContact O-N 3.38Å; C307-F314 HydrophobicContact CB-CE2 4.13Å; K312-F314 HydrophobicContact CB-CE2 4.06Å; K312-F314 HydrophobicContact CB-CZ 4.18Å; K312-F314 HydrophobicContact CD-CE1 4.45Å; K312-F314 HydrophobicContact CD-CZ 3.84Å; K312-F314 HydrophobicContact CG-CE2 4.08Å; K312-F314 HydrophobicContact CG-CZ 3.82Å; K312-F314 VanDerWaalsContact O-CD2 3.27Å; K312-F314 WeakPolarHBondContact O-CD2 3.5Å; K312-F314 WeakPolarHBondContact O-CE2 3.38Å; F314-T316 VanDerWaalsContact C-N 3.32Å; F314-H319 HydrophobicContact CB-CB 4.25Å; F314-H319 HydrophobicContact CD1-CB 3.81Å; F314-H319 HydrophobicContact CG-CB 4.35Å; F314-L320 HydrophobicContact CB-CB 4.2Å; F314-L320 HydrophobicContact CD2-CB 3.88Å; F314-L320 HydrophobicContact CD2-CD1 3.66Å; F314-L320 HydrophobicContact CD2-CG 4.36Å; F314-L320 HydrophobicContact CE2-CD1 3.8Å; F314-L320 HydrophobicContact CG-CB 4.16Å; F314-H323 HydrophobicContact CE1-CB 3.74Å; F314-H323 HydrophobicContact CE2-CB 3.92Å; F314-H323 AromaticContact CE2-CD2 3.43Å; F314-H323 VanDerWaalsContact CE2-CD2 3.43Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.36Å; F314-H323 AromaticContact CE2-CG 3.68Å; F314-H323 HydrophobicContact CZ-CB 3.31Å; F314-H323 AromaticContact CZ-CD2 3.43Å; F314-H323 VanDerWaalsContact CZ-CD2 3.43Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.46Å; F314-H323 AromaticContact CZ-CG 3.17Å; F314-H323 AromaticContact CZ-ND1 3.72Å
315T75.5Confident75.2Confident65 Ų6562.2 Ų62.240%0.39933%0.331SS..SBendtrans-74.6-24.5-179.953.20000112.4D302 R303D302-T315 WeakPolarHBondContact O-CG2 3.35Å; R303-T315 HydrophobicContact CG-CG2 3.77Å
316T76.3Confident75.4Confident57 Ų5763.3 Ų63.335%0.3534%0.339SS..SBendtrans-133.7147.7-178.565.90000111.1F314 A318 H319 L320F314-T316 VanDerWaalsContact C-N 3.32Å; T316-A318 PolarHBondContact O-N 3.28Å; T316-H319 PolarHBondContact O-N 3.12Å; T316-H319 VanDerWaalsContact OG1-CG 3.28Å; T316-H319 PolarHBondContact OG1-N 3.28Å; T316-H319 PolarHBondContact OG1-ND1 3.24Å; T316-L320 PolarHBondContact O-N 3.44Å
317Q79.9Confident75.8Confident65 Ų6562.9 Ų62.930%0.30433%0.332SS..Hα-helixtrans-61.8-33.3177.8-177.661.9-13.700112F305 H319 L320 K321F305-Q317 HydrophobicContact CD1-CB 3.87Å; F305-Q317 HydrophobicContact CD1-CG 4.34Å; F305-Q317 HydrophobicContact CD2-CB 4.29Å; F305-Q317 HydrophobicContact CE1-CB 3.67Å; F305-Q317 HydrophobicContact CE1-CG 4.24Å; F305-Q317 HydrophobicContact CE2-CB 4.1Å; F305-Q317 VanDerWaalsContact CE2-N 3.29Å; F305-Q317 HydrophobicContact CG-CB 4.16Å; F305-Q317 HydrophobicContact CZ-CB 3.79Å; Q317-H319 PolarHBondContact O-N 3.26Å; Q317-L320 PolarHBondContact O-N 2.88Å; Q317-K321 HydrophobicContact CG-CG 4.48Å; Q317-K321 WeakPolarHBondContact O-CG 3.4Å; Q317-K321 PolarHBondContact O-N 3.28Å
318A81.1Confident75.9Confident68 Ų6864 Ų6456%0.56234%0.339SS*.Hα-helixtrans-61.3-42.4177.500000112.1T316 K321 E322T316-A318 PolarHBondContact O-N 3.28Å; A318-K321 PolarHBondContact O-N 3.25Å; A318-E322 WeakPolarHBondContact O-CB 3.48Å; A318-E322 PolarHBondContact O-N 3.23Å
319H81.8Confident75.9Confident95 Ų9557.3 Ų57.344%0.4432%0.32SS..Hα-helixtrans-70.5-34.6176.8-65.6147.8000112.4F314 T316 Q317 H323F314-H319 HydrophobicContact CB-CB 4.25Å; F314-H319 HydrophobicContact CD1-CB 3.81Å; F314-H319 HydrophobicContact CG-CB 4.35Å; T316-H319 PolarHBondContact O-N 3.12Å; T316-H319 VanDerWaalsContact OG1-CG 3.28Å; T316-H319 PolarHBondContact OG1-N 3.28Å; T316-H319 PolarHBondContact OG1-ND1 3.24Å; Q317-H319 PolarHBondContact O-N 3.26Å; H319-H323 VanDerWaalsContact O-CB 3.29Å; H319-H323 WeakPolarHBondContact O-CB 3.03Å; H319-H323 PolarHBondContact O-N 3.38Å
320L80.6Confident76.8Confident15 Ų1554.7 Ų54.78%0.07931%0.305CS..Hα-helixtrans-62.6-51171.5174.460.1000110.5F305 C307 F314 T316 Q317 E322 H323 L324F305-L320 HydrophobicContact CB-CB 3.9Å; F305-L320 HydrophobicContact CB-CD2 3.75Å; F305-L320 HydrophobicContact CB-CG 4.43Å; C307-L320 HydrophobicContact CB-CD1 3.73Å; F314-L320 HydrophobicContact CB-CB 4.2Å; F314-L320 HydrophobicContact CD2-CB 3.88Å; F314-L320 HydrophobicContact CD2-CD1 3.66Å; F314-L320 HydrophobicContact CD2-CG 4.36Å; F314-L320 HydrophobicContact CE2-CD1 3.8Å; F314-L320 HydrophobicContact CG-CB 4.16Å; T316-L320 PolarHBondContact O-N 3.44Å; Q317-L320 PolarHBondContact O-N 2.88Å; L320-E322 VanDerWaalsContact C-N 3.31Å; L320-E322 PolarHBondContact O-N 3.47Å; L320-H323 CarbonylContact O-C 3.31Å; L320-H323 WeakPolarHBondContact O-CA 3.5Å; L320-H323 WeakPolarHBondContact O-CB 3.48Å; L320-H323 PolarHBondContact O-N 2.88Å; L320-L324 HydrophobicContact CD1-CD2 4.32Å; L320-L324 HydrophobicContact CD1-CG 4.18Å; L320-L324 HydrophobicContact CG-CD1 4.38Å; L320-L324 HydrophobicContact CG-CG 4.41Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.03Å
321K82.3Confident77.5Confident77 Ų7757.5 Ų57.534%0.33531%0.311SS..Hα-helixtrans-56.4-44.1177.5-76.8-172.2174.3-162.80112.4E204 L205 Q317 A318 H323 L324E204-K321 WeakPolarHBondContact O-CE 3.3Å; E204-K321 PolarHBondContact O-NZ 3.13Å; L205-K321 HydrophobicContact CD2-CB 4.32Å; L205-K321 WeakPolarHBondContact CD2-O 3.49Å; Q317-K321 HydrophobicContact CG-CG 4.48Å; Q317-K321 WeakPolarHBondContact O-CG 3.4Å; Q317-K321 PolarHBondContact O-N 3.28Å; A318-K321 PolarHBondContact O-N 3.25Å; K321-H323 VanDerWaalsContact C-N 3.34Å; K321-L324 PolarHBondContact O-N 3.47Å
322E82Confident78.2Confident54 Ų5453.9 Ų53.925%0.25229%0.289SS..Hα-helixtrans-61.8-43.2174.6-172.9-171.1-13500111.9A318 L320 L324 K325 I343 R344A318-E322 WeakPolarHBondContact O-CB 3.48Å; A318-E322 PolarHBondContact O-N 3.23Å; L320-E322 VanDerWaalsContact C-N 3.31Å; L320-E322 PolarHBondContact O-N 3.47Å; E322-L324 VanDerWaalsContact C-N 3.33Å; E322-L324 PolarHBondContact O-N 3.32Å; E322-K325 VanDerWaalsContact O-CB 3.22Å; E322-K325 WeakPolarHBondContact O-CB 3.43Å; E322-K325 PolarHBondContact O-N 3.18Å; E322-K325 VanDerWaalsContact O-N 3.16Å; E322-I343 HydrophobicContact CG-CG2 4.22Å; E322-R344 WeakPolarHBondContact OE1-CD 3.5Å; E322-R344 WeakPolarHBondContact OE1-CG 3.27Å; E322-R344 IonicContact OE1-CZ 3.34Å; E322-R344 IonicContact OE1-NE 2.86Å; E322-R344 PolarHBondContact OE1-NE 2.96Å; E322-R344 IonicContact OE1-NH2 3.8Å; E322-R344 IonicContact OE2-CZ 3.51Å; E322-R344 IonicContact OE2-NE 3.62Å; E322-R344 PolarHBondContact OE2-NE 2.73Å; E322-R344 VanDerWaalsContact OE2-NE 3.09Å; E322-R344 IonicContact OE2-NH2 2.78Å; E322-R344 PolarHBondContact OE2-NH2 3.09Å
323H83.7Confident78.8Confident17 Ų1753 Ų538%0.07928%0.283CS..Hα-helixtrans-63.1-37.6176.9164.771.9000112.9C307 C310 F314 H319 L320 K321 K325 I326 H327C307-H323 WeakPolarHBondContact CB-NE2 3.39Å; C307-H323 PolarHBondContact SG-NE2 3.14Å; C310-H323 PolarHBondContact SG-CE1 3.39Å; C310-H323 PolarHBondContact SG-NE2 3.21Å; F314-H323 HydrophobicContact CE1-CB 3.74Å; F314-H323 HydrophobicContact CE2-CB 3.92Å; F314-H323 AromaticContact CE2-CD2 3.43Å; F314-H323 VanDerWaalsContact CE2-CD2 3.43Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.36Å; F314-H323 AromaticContact CE2-CG 3.68Å; F314-H323 HydrophobicContact CZ-CB 3.31Å; F314-H323 AromaticContact CZ-CD2 3.43Å; F314-H323 VanDerWaalsContact CZ-CD2 3.43Å; F314-H323 WeakPolarHBondContact CZ-CD2 3.46Å; F314-H323 AromaticContact CZ-CG 3.17Å; F314-H323 AromaticContact CZ-ND1 3.72Å; H319-H323 VanDerWaalsContact O-CB 3.29Å; H319-H323 WeakPolarHBondContact O-CB 3.03Å; H319-H323 PolarHBondContact O-N 3.38Å; L320-H323 CarbonylContact O-C 3.31Å; L320-H323 WeakPolarHBondContact O-CA 3.5Å; L320-H323 WeakPolarHBondContact O-CB 3.48Å; L320-H323 PolarHBondContact O-N 2.88Å; K321-H323 VanDerWaalsContact C-N 3.34Å; H323-K325 PolarHBondContact O-N 2.94Å; H323-K325 VanDerWaalsContact O-N 3.12Å; H323-I326 VanDerWaalsContact O-CB 3.24Å; H323-I326 WeakPolarHBondContact O-CB 3.25Å; H323-I326 WeakPolarHBondContact O-CG1 3.42Å; H323-I326 PolarHBondContact O-N 3.26Å; H323-H327 AromaticContact CE1-NE2 3.52Å; H323-H327 AromaticContact NE2-CD2 3.7Å; H323-H327 AromaticContact NE2-NE2 3.21Å; H323-H327 PolarHBondContact NE2-NE2 3.44Å
324L80.2Confident79.5Confident19 Ų1955.4 Ų55.410%0.09930%0.298CS..Hα-helixtrans-59.9-22.6176.2-69177.6000112.8I201 E204 L320 K321 E322 I326 H327 T328I201-L324 HydrophobicContact CG2-CB 3.78Å; I201-L324 HydrophobicContact CG2-CD1 4.38Å; I201-L324 HydrophobicContact CG2-CG 4.49Å; E204-L324 HydrophobicContact CB-CD1 4.4Å; L320-L324 HydrophobicContact CD1-CD2 4.32Å; L320-L324 HydrophobicContact CD1-CG 4.18Å; L320-L324 HydrophobicContact CG-CD1 4.38Å; L320-L324 HydrophobicContact CG-CG 4.41Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.03Å; K321-L324 PolarHBondContact O-N 3.47Å; E322-L324 VanDerWaalsContact C-N 3.33Å; E322-L324 PolarHBondContact O-N 3.32Å; L324-I326 PolarHBondContact O-N 3.23Å; L324-H327 PolarHBondContact O-N 3.48Å; L324-H327 VanDerWaalsContact O-N 3.17Å; L324-T328 PolarHBondContact O-N 3.49Å; L324-T328 PolarHBondContact O-OG1 3.27Å
325K82.7Confident79.8Confident23 Ų2354.4 Ų54.410%0.129%0.294CS..Hα-helixtrans-63.5-25.6172.3-58.3-177.6178.4-1760112.5L205 E209 E322 H323 T328 G329 Y330 I343L205-K325 HydrophobicContact CD1-CG 4.41Å; L205-K325 HydrophobicContact CD2-CG 4.18Å; E209-K325 WeakPolarHBondContact OE2-CE 3.38Å; E209-K325 IonicContact OE2-NZ 3.41Å; E209-K325 PolarHBondContact OE2-NZ 3.48Å; E322-K325 VanDerWaalsContact O-CB 3.22Å; E322-K325 WeakPolarHBondContact O-CB 3.43Å; E322-K325 PolarHBondContact O-N 3.18Å; E322-K325 VanDerWaalsContact O-N 3.16Å; H323-K325 PolarHBondContact O-N 2.94Å; H323-K325 VanDerWaalsContact O-N 3.12Å; K325-T328 WeakPolarHBondContact CA-OG1 3.43Å; K325-T328 PolarHBondContact O-OG1 3.19Å; K325-G329 CarbonylContact O-C 3.26Å; K325-G329 WeakPolarHBondContact O-CA 3.43Å; K325-G329 PolarHBondContact O-N 3.15Å; K325-Y330 HydrophobicContact CD-CD1 3.99Å; K325-Y330 HydrophobicContact CG-CD1 4.13Å; K325-Y330 PolarHBondContact O-N 3.3Å; K325-Y330 VanDerWaalsContact O-N 3.09Å; K325-I343 HydrophobicContact CB-CD1 4.44Å; K325-I343 HydrophobicContact CB-CG1 4.44Å; K325-I343 HydrophobicContact CB-CG2 3.73Å; K325-I343 HydrophobicContact CD-CG2 4.1Å; K325-I343 HydrophobicContact CG-CG2 4.46Å
326I75.4Confident80.2Confident90 Ų9060.5 Ų60.546%0.46232%0.318SS..Hα-helixtrans-66.9-43173.8-58.9171.3000110.4H323 L324 G329 I343H323-I326 VanDerWaalsContact O-CB 3.24Å; H323-I326 WeakPolarHBondContact O-CB 3.25Å; H323-I326 WeakPolarHBondContact O-CG1 3.42Å; H323-I326 PolarHBondContact O-N 3.26Å; L324-I326 PolarHBondContact O-N 3.23Å; I326-G329 PolarHBondContact O-N 2.91Å; I326-I343 HydrophobicContact CB-CD1 4.24Å; I326-I343 HydrophobicContact CG1-CD1 3.46Å; I326-I343 VanDerWaalsContact CG1-CD1 3.46Å
327H75.7Confident80.4Confident64 Ų6463 Ų6330%0.29633%0.332SS..Hα-helixtrans-72.3-33-178.7-68.9-61.5000113.1I201 C307 H323 L324I201-H327 HydrophobicContact CD1-CB 3.87Å; C307-H327 PolarHBondContact SG-NE2 3.07Å; C307-H327 VanDerWaalsContact SG-NE2 3.39Å; H323-H327 AromaticContact CE1-NE2 3.52Å; H323-H327 AromaticContact NE2-CD2 3.7Å; H323-H327 AromaticContact NE2-NE2 3.21Å; H323-H327 PolarHBondContact NE2-NE2 3.44Å; L324-H327 PolarHBondContact O-N 3.48Å; L324-H327 VanDerWaalsContact O-N 3.17Å
328T70.7Confident80.4Confident26 Ų2662.6 Ų62.616%0.1634%0.336CS..Hα-helixtrans-81.5-17.2175.449.10000113.3I201 L324 K325 Y330I201-T328 HydrophobicContact CB-CG2 3.59Å; I201-T328 HydrophobicContact CD1-CG2 3.9Å; I201-T328 HydrophobicContact CG1-CG2 4.37Å; I201-T328 HydrophobicContact CG2-CG2 3.26Å; L324-T328 PolarHBondContact O-N 3.49Å; L324-T328 PolarHBondContact O-OG1 3.27Å; K325-T328 WeakPolarHBondContact CA-OG1 3.43Å; K325-T328 PolarHBondContact O-OG1 3.19Å; T328-Y330 PolarHBondContact O-N 3.36Å; T328-Y330 WeakPolarHBondContact OG1-CB 3.29Å; T328-Y330 PolarHBondContact OG1-N 3.36Å
329G69.8Low80.4Confident45 Ų4561 Ų6146%0.46433%0.327SS..THydrogen-bonded Turntrans69.112.3-166.800000113.4K325 I326 K331K325-G329 CarbonylContact O-C 3.26Å; K325-G329 WeakPolarHBondContact O-CA 3.43Å; K325-G329 PolarHBondContact O-N 3.15Å; I326-G329 PolarHBondContact O-N 2.91Å; G329-K331 PolarHBondContact O-N 2.92Å
330Y79.9Confident80.4Confident44 Ų4462.5 Ų62.517%0.17333%0.332CS..  trans-68.2118.3-179.7-176.9-122.7000111.2E209 K325 T328 P332E209-Y330 PolarHBondContact O-OH 3.5Å; K325-Y330 HydrophobicContact CD-CD1 3.99Å; K325-Y330 HydrophobicContact CG-CD1 4.13Å; K325-Y330 PolarHBondContact O-N 3.3Å; K325-Y330 VanDerWaalsContact O-N 3.09Å; T328-Y330 PolarHBondContact O-N 3.36Å; T328-Y330 WeakPolarHBondContact OG1-CB 3.29Å; T328-Y330 PolarHBondContact OG1-N 3.36Å; Y330-P332 HydrophobicContact CD1-CG 4.38Å; Y330-P332 HydrophobicContact CE1-CB 3.96Å; Y330-P332 HydrophobicContact CE1-CG 3.91Å
331K84.6Confident80.3Confident111 Ų11164.1 Ų64.148%0.48334%0.344SS..  trans-130.384.2-174.3-71.8166.1171.5-169.50109.5G329 Y333 S341 F342 I343G329-K331 PolarHBondContact O-N 2.92Å; K331-Y333 PolarHBondContact O-N 3.38Å; K331-S341 WeakPolarHBondContact CD-O 3.35Å; K331-F342 CarbonylContact C-O 3.59Å; K331-F342 VanDerWaalsContact C-O 3.31Å; K331-F342 WeakPolarHBondContact CA-O 3.4Å; K331-I343 HydrophobicContact CG-CG1 3.94Å
332P82.7Confident80.3Confident41 Ų4162.7 Ų62.727%0.26634%0.338SS..  trans-71-16-171.424.5-31.1000114.4Y330Y330-P332 HydrophobicContact CD1-CG 4.38Å; Y330-P332 HydrophobicContact CE1-CB 3.96Å; Y330-P332 HydrophobicContact CE1-CG 3.91Å
333Y85.4Confident80.3Confident97 Ų9761.8 Ų61.838%0.3834%0.335SS..EExtended strand (participates in β ladder)trans-105.4104.2-174.6-57.7-76.1000110.5K331 S341 F342 I343 A345K331-Y333 PolarHBondContact O-N 3.38Å; Y333-S341 CarbonylContact O-C 3.51Å; Y333-S341 VanDerWaalsContact O-CA 3.27Å; Y333-S341 WeakPolarHBondContact O-CA 3.36Å; Y333-F342 PolarHBondContact N-O 2.76Å; Y333-F342 VanDerWaalsContact N-O 3.16Å; Y333-F342 PolarHBondContact O-N 3.39Å; Y333-I343 WeakPolarHBondContact CD2-O 3.49Å; Y333-I343 VanDerWaalsContact CE2-O 3.3Å; Y333-I343 WeakPolarHBondContact CE2-O 3.34Å; Y333-A345 HydrophobicContact CD1-CB 3.85Å; Y333-A345 HydrophobicContact CD2-CB 4.45Å; Y333-A345 VanDerWaalsContact CD2-N 3.3Å; Y333-A345 HydrophobicContact CE1-CB 3.61Å; Y333-A345 HydrophobicContact CE2-CB 4.23Å; Y333-A345 VanDerWaalsContact CE2-N 3.33Å; Y333-A345 HydrophobicContact CG-CB 4.26Å
334S83.9Confident80.4Confident68 Ų6866.3 Ų66.348%0.47635%0.351SS..EExtended strand (participates in β ladder)trans-101.7139.7177.754.90000111.9K340S334-K340 CarbonylContact C-O 3.57Å; S334-K340 WeakPolarHBondContact CA-O 3.46Å
335C81.1Confident80.7Confident2 Ų267.4 Ų67.41%0.01436%0.363CS..  trans-73.7126.6168.6-177.80000110.2V337 G339 K340 L348 H355C335-V337 VanDerWaalsContact C-N 3.25Å; C335-V337 PolarHBondContact O-N 3.47Å; C335-G339 WeakPolarHBondContact O-CA 3.4Å; C335-G339 PolarHBondContact O-N 2.91Å; C335-K340 PolarHBondContact N-O 3.28Å; C335-L348 HydrophobicContact CB-CD1 3.67Å; C335-H355 PolarHBondContact SG-CD2 3.24Å; C335-H355 PolarHBondContact SG-NE2 2.87Å
336E85.4Confident80.9Confident192 Ų19270 Ų7090%0.89738%0.383SS*.THydrogen-bonded Turntrans-67.6-27.3179.4-62.3-175171.300112.7
337V79.6Confident81.3Confident109 Ų10968 Ų6866%0.66137%0.373SS*.THydrogen-bonded Turntrans-77-44.5-177.1-176.40000112.1C335 H355C335-V337 VanDerWaalsContact C-N 3.25Å; C335-V337 PolarHBondContact O-N 3.47Å; V337-H355 HydrophobicContact CG1-CB 4.36Å; V337-H355 HydrophobicContact CG2-CB 4.44Å
338C80.1Confident81.8Confident57 Ų5766 Ų6639%0.38536%0.364SS..THydrogen-bonded Turntrans-122.60.5-173.571.70000115K340 H351 H355C338-K340 PolarHBondContact O-N 3.39Å; C338-K340 VanDerWaalsContact O-N 3.08Å; C338-H351 PolarHBondContact SG-NE2 3.06Å; C338-H355 PolarHBondContact SG-NE2 2.71Å; C338-H355 VanDerWaalsContact SG-NE2 3.39Å
339G80.3Confident82.5Confident35 Ų3571.5 Ų71.536%0.36139%0.386SS..  trans71.4-5.2-17900000115.5C335 S341C335-G339 WeakPolarHBondContact O-CA 3.4Å; C335-G339 PolarHBondContact O-N 2.91Å; G339-S341 PolarHBondContact O-N 3.32Å; G339-S341 PolarHBondContact O-OG 2.8Å
340K81.4Confident83.1Confident127 Ų12773.7 Ų73.755%0.55238%0.382SS*.  trans-60.2130.1179.4-74-176.6178.8-177.80110.4S334 C335 C338 F342S334-K340 CarbonylContact C-O 3.57Å; S334-K340 WeakPolarHBondContact CA-O 3.46Å; C335-K340 PolarHBondContact N-O 3.28Å; C338-K340 PolarHBondContact O-N 3.39Å; C338-K340 VanDerWaalsContact O-N 3.08Å; K340-F342 HydrophobicContact CB-CE2 4.03Å; K340-F342 HydrophobicContact CB-CZ 4.15Å; K340-F342 WeakPolarHBondContact O-CE2 2.98Å
341S79.4Confident83.3Confident48 Ų4872.8 Ų72.834%0.33638%0.38SS..EExtended strand (participates in β ladder)trans-109144.5-174.9-570000112.5K331 Y333 G339K331-S341 WeakPolarHBondContact CD-O 3.35Å; Y333-S341 CarbonylContact O-C 3.51Å; Y333-S341 VanDerWaalsContact O-CA 3.27Å; Y333-S341 WeakPolarHBondContact O-CA 3.36Å; G339-S341 PolarHBondContact O-N 3.32Å; G339-S341 PolarHBondContact O-OG 2.8Å
342F81.8Confident83.2Confident47 Ų4771.5 Ų71.521%0.20638%0.375CS..EExtended strand (participates in β ladder)trans-129.6151.8-173.3-58.7-87.9000111.2K331 Y333 K340 D347 L348 H351K331-F342 CarbonylContact C-O 3.59Å; K331-F342 VanDerWaalsContact C-O 3.31Å; K331-F342 WeakPolarHBondContact CA-O 3.4Å; Y333-F342 PolarHBondContact N-O 2.76Å; Y333-F342 VanDerWaalsContact N-O 3.16Å; Y333-F342 PolarHBondContact O-N 3.39Å; K340-F342 HydrophobicContact CB-CE2 4.03Å; K340-F342 HydrophobicContact CB-CZ 4.15Å; K340-F342 WeakPolarHBondContact O-CE2 2.98Å; F342-D347 HydrophobicContact CB-CB 4.49Å; F342-D347 HydrophobicContact CD1-CB 4.22Å; F342-L348 HydrophobicContact CB-CB 4.38Å; F342-L348 HydrophobicContact CD2-CB 3.89Å; F342-L348 HydrophobicContact CD2-CD1 3.87Å; F342-L348 HydrophobicContact CD2-CG 4.5Å; F342-L348 HydrophobicContact CE2-CD1 4.02Å; F342-L348 HydrophobicContact CG-CB 4.33Å; F342-H351 HydrophobicContact CE1-CB 3.97Å; F342-H351 HydrophobicContact CE2-CB 3.72Å; F342-H351 AromaticContact CE2-CD2 3.52Å; F342-H351 AromaticContact CE2-CG 3.55Å; F342-H351 HydrophobicContact CZ-CB 3.35Å; F342-H351 AromaticContact CZ-CD2 3.63Å; F342-H351 AromaticContact CZ-CG 3.2Å; F342-H351 AromaticContact CZ-ND1 3.66Å
343I82.9Confident83.2Confident36 Ų3672.2 Ų72.219%0.18537%0.373CS..SBendtrans-73.9-31.7176.8-63.5176.2000111E322 K325 I326 K331 Y333E322-I343 HydrophobicContact CG-CG2 4.22Å; K325-I343 HydrophobicContact CB-CD1 4.44Å; K325-I343 HydrophobicContact CB-CG1 4.44Å; K325-I343 HydrophobicContact CB-CG2 3.73Å; K325-I343 HydrophobicContact CD-CG2 4.1Å; K325-I343 HydrophobicContact CG-CG2 4.46Å; I326-I343 HydrophobicContact CB-CD1 4.24Å; I326-I343 HydrophobicContact CG1-CD1 3.46Å; I326-I343 VanDerWaalsContact CG1-CD1 3.46Å; K331-I343 HydrophobicContact CG-CG1 3.94Å; Y333-I343 WeakPolarHBondContact CD2-O 3.49Å; Y333-I343 VanDerWaalsContact CE2-O 3.3Å; Y333-I343 WeakPolarHBondContact CE2-O 3.34Å
344R86Confident82.9Confident111 Ų11170.9 Ų70.942%0.41938%0.375SS..SBendtrans-124.2139.7-173.2-47-175.4168.5140-5.1112.2E322 D347 L348E322-R344 WeakPolarHBondContact OE1-CD 3.5Å; E322-R344 WeakPolarHBondContact OE1-CG 3.27Å; E322-R344 IonicContact OE1-CZ 3.34Å; E322-R344 IonicContact OE1-NE 2.86Å; E322-R344 PolarHBondContact OE1-NE 2.96Å; E322-R344 IonicContact OE1-NH2 3.8Å; E322-R344 IonicContact OE2-CZ 3.51Å; E322-R344 IonicContact OE2-NE 3.62Å; E322-R344 PolarHBondContact OE2-NE 2.73Å; E322-R344 VanDerWaalsContact OE2-NE 3.09Å; E322-R344 IonicContact OE2-NH2 2.78Å; E322-R344 PolarHBondContact OE2-NH2 3.09Å; R344-D347 HydrophobicContact CB-CB 4.43Å; R344-D347 WeakPolarHBondContact CD-OD2 3.32Å; R344-D347 PolarHBondContact O-N 3.48Å; R344-D347 VanDerWaalsContact O-N 3.13Å; R344-L348 PolarHBondContact O-N 2.95Å
345A85.4Confident82.7Confident42 Ų4271.2 Ų71.235%0.34737%0.369SS..Hα-helixtrans-58.9-41.5175.600000113.8Y333 D347 L348 K349Y333-A345 HydrophobicContact CD1-CB 3.85Å; Y333-A345 HydrophobicContact CD2-CB 4.45Å; Y333-A345 VanDerWaalsContact CD2-N 3.3Å; Y333-A345 HydrophobicContact CE1-CB 3.61Å; Y333-A345 HydrophobicContact CE2-CB 4.23Å; Y333-A345 VanDerWaalsContact CE2-N 3.33Å; Y333-A345 HydrophobicContact CG-CB 4.26Å; A345-D347 PolarHBondContact O-N 3.43Å; A345-L348 WeakPolarHBondContact O-CB 3.3Å; A345-L348 PolarHBondContact O-N 3.09Å; A345-K349 PolarHBondContact O-N 2.92Å
346P87.1Confident82.5Confident79 Ų7972.8 Ų72.851%0.51338%0.379SS..Hα-helixtrans-63.1-26.2177-24.535.9000113.7K350P346-K350 VanDerWaalsContact O-CG 3.26Å; P346-K350 WeakPolarHBondContact O-CG 3.48Å; P346-K350 PolarHBondContact O-N 3.28Å; P346-K350 VanDerWaalsContact O-N 3.09Å
347D85Confident82Confident48 Ų4871.1 Ų71.126%0.25738%0.377SS..Hα-helixtrans-79.9-36.3177.9-62.9-32000111F342 R344 A345 K350 H351F342-D347 HydrophobicContact CB-CB 4.49Å; F342-D347 HydrophobicContact CD1-CB 4.22Å; R344-D347 HydrophobicContact CB-CB 4.43Å; R344-D347 WeakPolarHBondContact CD-OD2 3.32Å; R344-D347 PolarHBondContact O-N 3.48Å; R344-D347 VanDerWaalsContact O-N 3.13Å; A345-D347 PolarHBondContact O-N 3.43Å; D347-K350 PolarHBondContact O-N 3.45Å; D347-K350 IonicContact OD1-NZ 2.73Å; D347-K350 PolarHBondContact OD1-NZ 3.45Å; D347-H351 WeakPolarHBondContact O-CB 3.47Å; D347-H351 PolarHBondContact O-N 3.44Å
348L85.7Confident81.9Confident21 Ų2171.9 Ų71.911%0.1137%0.373CS..Hα-helixtrans-57.9-50.3165.3171.960.6000111.1C335 F342 R344 A345 K350 H351 E352C335-L348 HydrophobicContact CB-CD1 3.67Å; F342-L348 HydrophobicContact CB-CB 4.38Å; F342-L348 HydrophobicContact CD2-CB 3.89Å; F342-L348 HydrophobicContact CD2-CD1 3.87Å; F342-L348 HydrophobicContact CD2-CG 4.5Å; F342-L348 HydrophobicContact CE2-CD1 4.02Å; F342-L348 HydrophobicContact CG-CB 4.33Å; R344-L348 PolarHBondContact O-N 2.95Å; A345-L348 WeakPolarHBondContact O-CB 3.3Å; A345-L348 PolarHBondContact O-N 3.09Å; L348-K350 VanDerWaalsContact C-N 3.27Å; L348-K350 PolarHBondContact O-N 3.36Å; L348-H351 CarbonylContact O-C 3.57Å; L348-H351 WeakPolarHBondContact O-CA 3.47Å; L348-H351 VanDerWaalsContact O-CB 3.32Å; L348-H351 WeakPolarHBondContact O-CB 3.5Å; L348-H351 PolarHBondContact O-N 2.91Å; L348-E352 HydrophobicContact CD1-CG 4.06Å; L348-E352 HydrophobicContact CG-CG 4.38Å; L348-E352 WeakPolarHBondContact O-CG 3.09Å; L348-E352 PolarHBondContact O-N 3.35Å
349K84.9Confident82Confident142 Ų14274.8 Ų74.862%0.61738%0.376SS*.Hα-helixtrans-61.1-33.7-179.6-171.2171.1-173170.10113.4A345A345-K349 PolarHBondContact O-N 2.92Å
350K81.6Confident82Confident90 Ų9076.7 Ų76.739%0.39138%0.382SS..Hα-helixtrans-68.6-43171.1-72.5168.7-157.3157.40110.8P346 D347 L348 E352 R353P346-K350 VanDerWaalsContact O-CG 3.26Å; P346-K350 WeakPolarHBondContact O-CG 3.48Å; P346-K350 PolarHBondContact O-N 3.28Å; P346-K350 VanDerWaalsContact O-N 3.09Å; D347-K350 PolarHBondContact O-N 3.45Å; D347-K350 IonicContact OD1-NZ 2.73Å; D347-K350 PolarHBondContact OD1-NZ 3.45Å; L348-K350 VanDerWaalsContact C-N 3.27Å; L348-K350 PolarHBondContact O-N 3.36Å; K350-E352 VanDerWaalsContact C-N 3.34Å; K350-E352 PolarHBondContact O-N 3.45Å; K350-R353 WeakPolarHBondContact O-CB 3.42Å; K350-R353 PolarHBondContact O-N 3.36Å
351H84.4Confident82.3Confident25 Ų2573.3 Ų73.312%0.11637%0.368CS..Hα-helixtrans-63.4-36.6178.1171.971.2000112.9C338 F342 D347 L348 R353 V354 H355C338-H351 PolarHBondContact SG-NE2 3.06Å; F342-H351 HydrophobicContact CE1-CB 3.97Å; F342-H351 HydrophobicContact CE2-CB 3.72Å; F342-H351 AromaticContact CE2-CD2 3.52Å; F342-H351 AromaticContact CE2-CG 3.55Å; F342-H351 HydrophobicContact CZ-CB 3.35Å; F342-H351 AromaticContact CZ-CD2 3.63Å; F342-H351 AromaticContact CZ-CG 3.2Å; F342-H351 AromaticContact CZ-ND1 3.66Å; D347-H351 WeakPolarHBondContact O-CB 3.47Å; D347-H351 PolarHBondContact O-N 3.44Å; L348-H351 CarbonylContact O-C 3.57Å; L348-H351 WeakPolarHBondContact O-CA 3.47Å; L348-H351 VanDerWaalsContact O-CB 3.32Å; L348-H351 WeakPolarHBondContact O-CB 3.5Å; L348-H351 PolarHBondContact O-N 2.91Å; H351-R353 PolarHBondContact O-N 3.34Å; H351-R353 VanDerWaalsContact O-N 3.12Å; H351-V354 WeakPolarHBondContact O-CA 3.11Å; H351-V354 WeakPolarHBondContact O-CB 3.42Å; H351-V354 VanDerWaalsContact O-CG2 3.3Å; H351-V354 WeakPolarHBondContact O-CG2 3.09Å; H351-V354 PolarHBondContact O-N 3.23Å; H351-H355 AromaticContact CD2-NE2 3.95Å; H351-H355 AromaticContact CE1-NE2 3.78Å; H351-H355 AromaticContact NE2-CD2 3.93Å; H351-H355 AromaticContact NE2-NE2 3.13Å; H351-H355 PolarHBondContact NE2-NE2 3.29Å; H351-H355 VanDerWaalsContact NE2-NE2 3.13Å
352E83.5Confident82.7Confident84 Ų8474.1 Ų74.139%0.39338%0.377SS..Hα-helixtrans-58.6-26.5176.5-73.1171.1159.400112.6L348 K350 V354 H355 S356L348-E352 HydrophobicContact CD1-CG 4.06Å; L348-E352 HydrophobicContact CG-CG 4.38Å; L348-E352 WeakPolarHBondContact O-CG 3.09Å; L348-E352 PolarHBondContact O-N 3.35Å; K350-E352 VanDerWaalsContact C-N 3.34Å; K350-E352 PolarHBondContact O-N 3.45Å; E352-V354 PolarHBondContact O-N 2.97Å; E352-H355 PolarHBondContact O-N 3.41Å; E352-S356 PolarHBondContact O-N 2.71Å
353R82.3Confident83.1Confident56 Ų5672.4 Ų72.421%0.21137%0.371CS..Hα-helixtrans-67.7-14.5171.8-55.6179.8-170.4159.42.7113.6K350 H351 H355 S356 K371K350-R353 WeakPolarHBondContact O-CB 3.42Å; K350-R353 PolarHBondContact O-N 3.36Å; H351-R353 PolarHBondContact O-N 3.34Å; H351-R353 VanDerWaalsContact O-N 3.12Å; R353-H355 VanDerWaalsContact C-N 3.3Å; R353-S356 WeakPolarHBondContact CA-OG 3.27Å; R353-K371 PolarHBondContact NH1-O 2.89Å; R353-K371 WeakPolarHBondContact O-CD 3.46Å; R353-K371 WeakPolarHBondContact O-CE 3.42Å; R353-K371 PolarHBondContact O-NZ 2.97Å
354V79Confident83.4Confident70 Ų7077.5 Ų77.542%0.42439%0.393SS..Hα-helixtrans-66.9-40170.5-179.60000109.2H351 E352 K371H351-V354 WeakPolarHBondContact O-CA 3.11Å; H351-V354 WeakPolarHBondContact O-CB 3.42Å; H351-V354 VanDerWaalsContact O-CG2 3.3Å; H351-V354 WeakPolarHBondContact O-CG2 3.09Å; H351-V354 PolarHBondContact O-N 3.23Å; E352-V354 PolarHBondContact O-N 2.97Å; V354-K371 PolarHBondContact O-NZ 2.77Å
355H80.8Confident83.2Confident75 Ų7578.1 Ų78.135%0.34740%0.403SS..Hα-helixtrans-79.3-30.2177.7-55.5-57.6000112.9C335 V337 C338 H351 E352 R353C335-H355 PolarHBondContact SG-CD2 3.24Å; C335-H355 PolarHBondContact SG-NE2 2.87Å; V337-H355 HydrophobicContact CG1-CB 4.36Å; V337-H355 HydrophobicContact CG2-CB 4.44Å; C338-H355 PolarHBondContact SG-NE2 2.71Å; C338-H355 VanDerWaalsContact SG-NE2 3.39Å; H351-H355 AromaticContact CD2-NE2 3.95Å; H351-H355 AromaticContact CE1-NE2 3.78Å; H351-H355 AromaticContact NE2-CD2 3.93Å; H351-H355 AromaticContact NE2-NE2 3.13Å; H351-H355 PolarHBondContact NE2-NE2 3.29Å; H351-H355 VanDerWaalsContact NE2-NE2 3.13Å; E352-H355 PolarHBondContact O-N 3.41Å; R353-H355 VanDerWaalsContact C-N 3.3Å
356S76.2Confident83.3Confident34 Ų3477.9 Ų77.924%0.23840%0.398CS..SBendtrans-82.6148.6172.685.40000111.8E352 R353 E358 K371E352-S356 PolarHBondContact O-N 2.71Å; R353-S356 WeakPolarHBondContact CA-OG 3.27Å; S356-E358 PolarHBondContact O-N 2.84Å; S356-E358 WeakPolarHBondContact OG-CB 3.45Å; S356-E358 WeakPolarHBondContact OG-CG 3.31Å; S356-E358 PolarHBondContact OG-N 2.72Å; S356-K371 WeakPolarHBondContact O-CE 3.47Å; S356-K371 PolarHBondContact O-NZ 3.14Å; S356-K371 VanDerWaalsContact O-NZ 3.15Å
357N73.8Confident83.3Confident157 Ų15782.2 Ų82.284%0.8442%0.417SS*.  trans-80.713168.1-75.3-27.4000112.2R359N357-R359 PolarHBondContact O-N 3.38Å
358E77.4Confident83.3Confident125 Ų12585.2 Ų85.258%0.58443%0.428SS*.  trans-71.3120.4-179.1-64.4-175.8168.800111.2S356 P360S356-E358 PolarHBondContact O-N 2.84Å; S356-E358 WeakPolarHBondContact OG-CB 3.45Å; S356-E358 WeakPolarHBondContact OG-CG 3.31Å; S356-E358 PolarHBondContact OG-N 2.72Å; E358-P360 VanDerWaalsContact C-CD 3.43Å; E358-P360 VanDerWaalsContact O-CD 3.31Å; E358-P360 WeakPolarHBondContact O-CD 3.27Å
359R82.4Confident83.3Confident118 Ų11885.2 Ų85.245%0.44543%0.431SS..  trans-119.174.3174-70.3172.1167.6-128.57.7109.3N357 F361 A369 F370 K371N357-R359 PolarHBondContact O-N 3.38Å; R359-F361 PolarHBondContact O-N 2.91Å; R359-A369 HydrophobicContact CB-CB 3.59Å; R359-A369 VanDerWaalsContact CD-O 3.31Å; R359-A369 WeakPolarHBondContact CD-O 3.38Å; R359-A369 PolarHBondContact NH1-O 2.73Å; R359-A369 WeakPolarHBondContact O-CB 3.31Å; R359-F370 CarbonylContact C-O 3.6Å; R359-K371 HydrophobicContact CG-CG 4.21Å
360P81.6Confident83.4Confident76 Ų7680 Ų8049%0.49441%0.408SS..  trans-70.4-12.3-171.226.5-34.1000114.2E358E358-P360 VanDerWaalsContact C-CD 3.43Å; E358-P360 VanDerWaalsContact O-CD 3.31Å; E358-P360 WeakPolarHBondContact O-CD 3.27Å
361F86.4Confident83.3Confident56 Ų5677 Ų7725%0.24640%0.395CS..EExtended strand (participates in β ladder)trans-106.186.8-177.5-56.4-72.3000110.6R359 A369 F370 K373 L376R359-F361 PolarHBondContact O-N 2.91Å; F361-A369 CarbonylContact O-C 3.5Å; F361-A369 WeakPolarHBondContact O-CA 3.28Å; F361-F370 HydrophobicContact CB-CB 4.47Å; F361-F370 WeakPolarHBondContact CB-O 3.48Å; F361-F370 WeakPolarHBondContact CD2-O 3.44Å; F361-F370 PolarHBondContact N-O 3.26Å; F361-F370 PolarHBondContact O-N 3.31Å; F361-K373 HydrophobicContact CD1-CB 4.05Å; F361-K373 HydrophobicContact CD1-CG 4.36Å; F361-K373 HydrophobicContact CD2-CB 4.47Å; F361-K373 HydrophobicContact CE1-CB 3.89Å; F361-K373 HydrophobicContact CE1-CD 4.37Å; F361-K373 HydrophobicContact CE1-CG 4.34Å; F361-K373 HydrophobicContact CE2-CB 4.32Å; F361-K373 HydrophobicContact CG-CB 4.34Å; F361-K373 HydrophobicContact CZ-CB 4.04Å; F361-L376 HydrophobicContact CB-CB 4.11Å; F361-L376 HydrophobicContact CB-CD2 3.85Å
362A88.9Confident83.3Confident64 Ų6478.1 Ų78.153%0.52940%0.4SS..EExtended strand (participates in β ladder)trans-79.7144174.900000112A369A362-A369 HydrophobicContact CB-CB 4.12Å
363C89.8Confident83.3Confident12 Ų1280.2 Ų80.28%0.08141%0.408CS..  trans-74.5140165.8-172.10000109.4M365 C366 K368 L376 H379C363-M365 VanDerWaalsContact C-N 3.34Å; C363-M365 PolarHBondContact SG-N 3.46Å; C363-M365 VanDerWaalsContact SG-N 3.42Å; C363-C366 CarbonylContact C-O 3.28Å; C363-C366 WeakPolarHBondContact CB-O 3.47Å; C363-K368 WeakPolarHBondContact CB-O 3.27Å; C363-K368 PolarHBondContact N-O 3.12Å; C363-L376 HydrophobicContact CB-CD1 3.88Å; C363-H379 WeakPolarHBondContact CB-NE2 3.41Å; C363-H379 PolarHBondContact SG-NE2 2.85Å
364H88.3Confident83.3Confident143 Ų14380.7 Ų80.766%0.66242%0.42SS*.SBendtrans-82.8-13.417667.1-58.2000113.1E380H364-E380 IonicContact CE1-OE1 3.39Å; H364-E380 IonicContact ND1-OE1 3.61Å; H364-E380 PolarHBondContact ND1-OE1 3.08Å
365M82.8Confident83.6Confident124 Ų12480 Ų8061%0.61141%0.412SS*.SBendtrans-102.2-12.8-178-58.7-65-72.800113.3C363C363-M365 VanDerWaalsContact C-N 3.34Å; C363-M365 PolarHBondContact SG-N 3.46Å; C363-M365 VanDerWaalsContact SG-N 3.42Å
366C88.3Confident83.9Confident36 Ų3677.3 Ų77.324%0.24340%0.4CS..SBendtrans-157.3166.1174.868.90000110.7C363 K368 H379C363-C366 CarbonylContact C-O 3.28Å; C363-C366 WeakPolarHBondContact CB-O 3.47Å; C366-K368 PolarHBondContact O-N 2.81Å; C366-H379 VanDerWaalsContact SG-CE1 3.52Å; C366-H379 PolarHBondContact SG-NE2 2.96Å
367D85.2Confident84.3Confident171 Ų17181.3 Ų81.391%0.91441%0.413SS*.SBendtrans-7411.6-175.6-57.3-41.4000114.5A369D367-A369 PolarHBondContact O-N 2.74Å
368K86.3Confident84.7Confident111 Ų11175.7 Ų75.748%0.48338%0.383SS..  trans-79.4124.2-179.7-64.8-172.6-179.1-172.90110.4C363 C366 F370C363-K368 WeakPolarHBondContact CB-O 3.27Å; C363-K368 PolarHBondContact N-O 3.12Å; C366-K368 PolarHBondContact O-N 2.81Å; K368-F370 HydrophobicContact CB-CE2 4.04Å; K368-F370 HydrophobicContact CB-CZ 4.05Å
369A86.1Confident85.2Confident21 Ų2170.1 Ų70.117%0.17436%0.357CS..EExtended strand (participates in β ladder)trans-116.9149.4172.800000112.5R359 F361 A362 D367R359-A369 HydrophobicContact CB-CB 3.59Å; R359-A369 VanDerWaalsContact CD-O 3.31Å; R359-A369 WeakPolarHBondContact CD-O 3.38Å; R359-A369 PolarHBondContact NH1-O 2.73Å; R359-A369 WeakPolarHBondContact O-CB 3.31Å; F361-A369 CarbonylContact O-C 3.5Å; F361-A369 WeakPolarHBondContact O-CA 3.28Å; A362-A369 HydrophobicContact CB-CB 4.12Å; D367-A369 PolarHBondContact O-N 2.74Å
370F85.3Confident85.3Confident32 Ų3266.3 Ų66.314%0.1434%0.344CS..EExtended strand (participates in β ladder)trans-126.3151-171.4-57.9-89000112R359 F361 K368 H372 H375 L376 H379R359-F370 CarbonylContact C-O 3.6Å; F361-F370 HydrophobicContact CB-CB 4.47Å; F361-F370 WeakPolarHBondContact CB-O 3.48Å; F361-F370 WeakPolarHBondContact CD2-O 3.44Å; F361-F370 PolarHBondContact N-O 3.26Å; F361-F370 PolarHBondContact O-N 3.31Å; K368-F370 HydrophobicContact CB-CE2 4.04Å; K368-F370 HydrophobicContact CB-CZ 4.05Å; F370-H372 VanDerWaalsContact C-N 3.32Å; F370-H375 HydrophobicContact CB-CB 4.23Å; F370-H375 HydrophobicContact CD1-CB 3.89Å; F370-H375 HydrophobicContact CG-CB 4.24Å; F370-L376 HydrophobicContact CB-CB 4.45Å; F370-L376 HydrophobicContact CD2-CB 3.9Å; F370-L376 HydrophobicContact CD2-CD1 3.89Å; F370-L376 HydrophobicContact CE2-CD1 4.04Å; F370-L376 HydrophobicContact CG-CB 4.4Å; F370-H379 HydrophobicContact CE1-CB 4.12Å; F370-H379 HydrophobicContact CE2-CB 3.77Å; F370-H379 AromaticContact CE2-CD2 3.46Å; F370-H379 VanDerWaalsContact CE2-CD2 3.46Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.5Å; F370-H379 AromaticContact CE2-CG 3.58Å; F370-H379 HydrophobicContact CZ-CB 3.42Å; F370-H379 VanDerWaalsContact CZ-CB 3.42Å; F370-H379 AromaticContact CZ-CD2 3.68Å; F370-H379 AromaticContact CZ-CG 3.31Å; F370-H379 AromaticContact CZ-ND1 3.76Å
371K81.5Confident85.5Confident27 Ų2765.5 Ų65.512%0.11733%0.331CS..SBendtrans-73.5-24.2174.9-63.9-178170.4-166.40112.9R353 V354 S356 R359R353-K371 PolarHBondContact NH1-O 2.89Å; R353-K371 WeakPolarHBondContact O-CD 3.46Å; R353-K371 WeakPolarHBondContact O-CE 3.42Å; R353-K371 PolarHBondContact O-NZ 2.97Å; V354-K371 PolarHBondContact O-NZ 2.77Å; S356-K371 WeakPolarHBondContact O-CE 3.47Å; S356-K371 PolarHBondContact O-NZ 3.14Å; S356-K371 VanDerWaalsContact O-NZ 3.15Å; R359-K371 HydrophobicContact CG-CG 4.21Å
372H83.2Confident85.2Confident48 Ų4869.8 Ų69.822%0.22235%0.346CS..SBendtrans-129.1138.5-176.2-60.9116.3000112.8F370 S374 H375 L376F370-H372 VanDerWaalsContact C-N 3.32Å; H372-S374 VanDerWaalsContact C-N 3.3Å; H372-S374 PolarHBondContact O-N 2.94Å; H372-H375 AromaticContact ND1-CE1 3.94Å; H372-H375 PolarHBondContact O-N 3.02Å; H372-L376 PolarHBondContact O-N 3.5Å
373K82.9Confident84.9Confident129 Ų12970.8 Ų70.856%0.56134%0.339SS*.Hα-helixtrans-63.1-32.2178.2-171.8171.6-175.8171.60113.3F361 L376 K377F361-K373 HydrophobicContact CD1-CB 4.05Å; F361-K373 HydrophobicContact CD1-CG 4.36Å; F361-K373 HydrophobicContact CD2-CB 4.47Å; F361-K373 HydrophobicContact CE1-CB 3.89Å; F361-K373 HydrophobicContact CE1-CD 4.37Å; F361-K373 HydrophobicContact CE1-CG 4.34Å; F361-K373 HydrophobicContact CE2-CB 4.32Å; F361-K373 HydrophobicContact CG-CB 4.34Å; F361-K373 HydrophobicContact CZ-CB 4.04Å; K373-L376 PolarHBondContact O-N 3.29Å; K373-K377 WeakPolarHBondContact O-CG 3.42Å; K373-K377 PolarHBondContact O-N 3.34Å
374S83.3Confident84.5Confident66 Ų6676.5 Ų76.546%0.46236%0.359SS..Hα-helixtrans-61.8-44.1174.644.80000111.5H372 L376 K377 D378H372-S374 VanDerWaalsContact C-N 3.3Å; H372-S374 PolarHBondContact O-N 2.94Å; S374-L376 PolarHBondContact O-N 3.45Å; S374-K377 PolarHBondContact O-N 3.13Å; S374-D378 PolarHBondContact O-N 3.46Å
375H84.7Confident84.1Confident56 Ų5672.2 Ų72.226%0.25935%0.353SS..Hα-helixtrans-66.9-38.4-180-62.5-170.7000111.3F370 H372 D378 H379F370-H375 HydrophobicContact CB-CB 4.23Å; F370-H375 HydrophobicContact CD1-CB 3.89Å; F370-H375 HydrophobicContact CG-CB 4.24Å; H372-H375 AromaticContact ND1-CE1 3.94Å; H372-H375 PolarHBondContact O-N 3.02Å; H375-D378 PolarHBondContact O-N 3.06Å; H375-H379 VanDerWaalsContact O-CB 3.27Å; H375-H379 WeakPolarHBondContact O-CB 3.47Å; H375-H379 PolarHBondContact O-N 3.03Å
376L86.8Confident84Confident18 Ų1870.2 Ų70.29%0.09434%0.343CS..Hα-helixtrans-58.6-50.1170.6173.362000111F361 C363 F370 H372 K373 S374 D378 H379 E380F361-L376 HydrophobicContact CB-CB 4.11Å; F361-L376 HydrophobicContact CB-CD2 3.85Å; C363-L376 HydrophobicContact CB-CD1 3.88Å; F370-L376 HydrophobicContact CB-CB 4.45Å; F370-L376 HydrophobicContact CD2-CB 3.9Å; F370-L376 HydrophobicContact CD2-CD1 3.89Å; F370-L376 HydrophobicContact CE2-CD1 4.04Å; F370-L376 HydrophobicContact CG-CB 4.4Å; H372-L376 PolarHBondContact O-N 3.5Å; K373-L376 PolarHBondContact O-N 3.29Å; S374-L376 PolarHBondContact O-N 3.45Å; L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 3.28Å; L376-H379 CarbonylContact O-C 3.26Å; L376-H379 WeakPolarHBondContact O-CA 3.45Å; L376-H379 WeakPolarHBondContact O-CB 3.3Å; L376-H379 PolarHBondContact O-N 3.09Å; L376-H379 VanDerWaalsContact O-N 3.1Å; L376-E380 HydrophobicContact CD1-CG 3.97Å; L376-E380 HydrophobicContact CG-CG 4.35Å; L376-E380 WeakPolarHBondContact O-CG 3.48Å; L376-E380 PolarHBondContact O-N 2.85Å
377K85.1Confident83.9Confident118 Ų11874.7 Ų74.751%0.51336%0.358SS..Hα-helixtrans-58.8-43.6178.9-76.5-173.3173.4-168.10112.7K373 S374 H379 E380 R381K373-K377 WeakPolarHBondContact O-CG 3.42Å; K373-K377 PolarHBondContact O-N 3.34Å; S374-K377 PolarHBondContact O-N 3.13Å; K377-H379 VanDerWaalsContact C-N 3.3Å; K377-E380 PolarHBondContact O-N 2.97Å; K377-R381 WeakPolarHBondContact O-CG 3.48Å; K377-R381 PolarHBondContact O-N 3.31Å; K377-R381 VanDerWaalsContact O-N 3.14Å
378D82.6Confident83.6Confident38 Ų3870.3 Ų70.320%0.20334%0.339CS..Hα-helixtrans-67.3-33.8177.3-69.8-24.7000111.8S374 H375 L376 R381 K400S374-D378 PolarHBondContact O-N 3.46Å; H375-D378 PolarHBondContact O-N 3.06Å; L376-D378 VanDerWaalsContact C-N 3.34Å; L376-D378 PolarHBondContact O-N 3.28Å; D378-R381 IonicContact OD1-CZ 3.53Å; D378-R381 IonicContact OD1-NH1 2.8Å; D378-R381 PolarHBondContact OD1-NH1 3.45Å; D378-K400 HydrophobicContact CB-CG 4.47Å
379H87.1Confident83.5Confident8 Ų868 Ų684%0.03733%0.329CS..Hα-helixtrans-66.7-45.1172.1164.774.4000112C363 C366 F370 H375 L376 K377 R381 R382 H383C363-H379 WeakPolarHBondContact CB-NE2 3.41Å; C363-H379 PolarHBondContact SG-NE2 2.85Å; C366-H379 VanDerWaalsContact SG-CE1 3.52Å; C366-H379 PolarHBondContact SG-NE2 2.96Å; F370-H379 HydrophobicContact CE1-CB 4.12Å; F370-H379 HydrophobicContact CE2-CB 3.77Å; F370-H379 AromaticContact CE2-CD2 3.46Å; F370-H379 VanDerWaalsContact CE2-CD2 3.46Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.5Å; F370-H379 AromaticContact CE2-CG 3.58Å; F370-H379 HydrophobicContact CZ-CB 3.42Å; F370-H379 VanDerWaalsContact CZ-CB 3.42Å; F370-H379 AromaticContact CZ-CD2 3.68Å; F370-H379 AromaticContact CZ-CG 3.31Å; F370-H379 AromaticContact CZ-ND1 3.76Å; H375-H379 VanDerWaalsContact O-CB 3.27Å; H375-H379 WeakPolarHBondContact O-CB 3.47Å; H375-H379 PolarHBondContact O-N 3.03Å; L376-H379 CarbonylContact O-C 3.26Å; L376-H379 WeakPolarHBondContact O-CA 3.45Å; L376-H379 WeakPolarHBondContact O-CB 3.3Å; L376-H379 PolarHBondContact O-N 3.09Å; L376-H379 VanDerWaalsContact O-N 3.1Å; K377-H379 VanDerWaalsContact C-N 3.3Å; H379-R381 PolarHBondContact O-N 3.49Å; H379-R382 PolarHBondContact ND1-NH2 3.37Å; H379-R382 VanDerWaalsContact O-CB 3.27Å; H379-R382 WeakPolarHBondContact O-CB 3.33Å; H379-R382 PolarHBondContact O-N 3.1Å; H379-H383 AromaticContact CE1-NE2 3.37Å; H379-H383 PolarHBondContact CE1-NE2 3.03Å; H379-H383 AromaticContact NE2-CD2 3.67Å; H379-H383 AromaticContact NE2-NE2 3.13Å; H379-H383 PolarHBondContact NE2-NE2 3.37Å; H379-H383 VanDerWaalsContact NE2-NE2 3.13Å
380E84.6Confident83.4Confident38 Ų3871.1 Ų71.118%0.17835%0.346CS..Hα-helixtrans-61.8-29177.6-72.6179.7152.300112.9H364 L376 K377 R382 H383 R384H364-E380 IonicContact CE1-OE1 3.39Å; H364-E380 IonicContact ND1-OE1 3.61Å; H364-E380 PolarHBondContact ND1-OE1 3.08Å; L376-E380 HydrophobicContact CD1-CG 3.97Å; L376-E380 HydrophobicContact CG-CG 4.35Å; L376-E380 WeakPolarHBondContact O-CG 3.48Å; L376-E380 PolarHBondContact O-N 2.85Å; K377-E380 PolarHBondContact O-N 2.97Å; E380-R382 PolarHBondContact O-N 3.16Å; E380-H383 WeakPolarHBondContact O-CB 3.38Å; E380-H383 PolarHBondContact O-N 3.42Å; E380-R384 PolarHBondContact O-N 3.49Å
381R85.8Confident83.3Confident59 Ų5969.9 Ų69.922%0.22334%0.341CS..Hα-helixtrans-61-30.4171.3-72.3-177.9-173.3142.28.6112.8K377 D378 H379 R384 G385 E386 A399K377-R381 WeakPolarHBondContact O-CG 3.48Å; K377-R381 PolarHBondContact O-N 3.31Å; K377-R381 VanDerWaalsContact O-N 3.14Å; D378-R381 IonicContact OD1-CZ 3.53Å; D378-R381 IonicContact OD1-NH1 2.8Å; D378-R381 PolarHBondContact OD1-NH1 3.45Å; H379-R381 PolarHBondContact O-N 3.49Å; R381-R384 PolarHBondContact O-N 3.39Å; R381-G385 PolarHBondContact O-N 3.02Å; R381-E386 HydrophobicContact CB-CB 4.31Å; R381-E386 HydrophobicContact CG-CB 4.32Å; R381-E386 PolarHBondContact O-N 3.13Å; R381-A399 PolarHBondContact NH1-O 3.47Å
382R80.1Confident83.3Confident147 Ų14772.2 Ų72.256%0.55537%0.373SS*.Hα-helixtrans-66.5-39175.2-67.2-175.2-79.5167.3-11.2111.5H379 E380 R384 G385H379-R382 PolarHBondContact ND1-NH2 3.37Å; H379-R382 VanDerWaalsContact O-CB 3.27Å; H379-R382 WeakPolarHBondContact O-CB 3.33Å; H379-R382 PolarHBondContact O-N 3.1Å; E380-R382 PolarHBondContact O-N 3.16Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.05Å; R382-G385 PolarHBondContact O-N 3.04Å
383H83Confident83.1Confident85 Ų8574.2 Ų74.239%0.39439%0.392SS..Hα-helixtrans-63.6-37.3175-71-60.2000112.5H379 E380H379-H383 AromaticContact CE1-NE2 3.37Å; H379-H383 PolarHBondContact CE1-NE2 3.03Å; H379-H383 AromaticContact NE2-CD2 3.67Å; H379-H383 AromaticContact NE2-NE2 3.13Å; H379-H383 PolarHBondContact NE2-NE2 3.37Å; H379-H383 VanDerWaalsContact NE2-NE2 3.13Å; E380-H383 WeakPolarHBondContact O-CB 3.38Å; E380-H383 PolarHBondContact O-N 3.42Å
384R82.5Confident82.9Confident131 Ų13169.7 Ų69.749%0.49438%0.376SS..Hα-helixtrans-85.1-7.1178.3-62.4-166.7-60-78.7-7.4114.2E380 R381 R382 E386E380-R384 PolarHBondContact O-N 3.49Å; R381-R384 PolarHBondContact O-N 3.39Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.05Å; R384-E386 HydrophobicContact CB-CG 3.94Å; R384-E386 IonicContact CZ-OE1 3.06Å; R384-E386 IonicContact CZ-OE2 3.59Å; R384-E386 IonicContact NE-OE1 3.83Å; R384-E386 PolarHBondContact NE-OE1 3.26Å; R384-E386 IonicContact NE-OE2 3.74Å; R384-E386 PolarHBondContact NE-OE2 3.05Å; R384-E386 IonicContact NH2-OE1 3.41Å; R384-E386 IonicContact NH2-OE2 2.76Å; R384-E386 PolarHBondContact NH2-OE2 3.29Å; R384-E386 PolarHBondContact O-N 3.49Å
385G79.1Confident82.8Confident53 Ų5373.2 Ų73.255%0.54640%0.395SS..THydrogen-bonded Turntrans63.417.7-172.300000114.1R381 R382 K387R381-G385 PolarHBondContact O-N 3.02Å; R382-G385 PolarHBondContact O-N 3.04Å; G385-K387 PolarHBondContact O-N 3.13Å
386E81.3Confident82.7Confident82 Ų8276.8 Ų76.838%0.38341%0.41SS..  trans-69.7118-177.1-79175.2-171.200110.9R381 R384 P388R381-E386 HydrophobicContact CB-CB 4.31Å; R381-E386 HydrophobicContact CG-CB 4.32Å; R381-E386 PolarHBondContact O-N 3.13Å; R384-E386 HydrophobicContact CB-CG 3.94Å; R384-E386 IonicContact CZ-OE1 3.06Å; R384-E386 IonicContact CZ-OE2 3.59Å; R384-E386 IonicContact NE-OE1 3.83Å; R384-E386 PolarHBondContact NE-OE1 3.26Å; R384-E386 IonicContact NE-OE2 3.74Å; R384-E386 PolarHBondContact NE-OE2 3.05Å; R384-E386 IonicContact NH2-OE1 3.41Å; R384-E386 IonicContact NH2-OE2 2.76Å; R384-E386 PolarHBondContact NH2-OE2 3.29Å; R384-E386 PolarHBondContact O-N 3.49Å; E386-P388 VanDerWaalsContact C-CD 3.41Å; E386-P388 VanDerWaalsContact O-CD 3.3Å; E386-P388 WeakPolarHBondContact O-CD 3.32Å
387K84.5Confident82.5Confident131 Ų13177.5 Ų77.557%0.5742%0.418SS*.  trans-118.971.2176-68.2173.1173-172.30110.8G385 F389 A397 F398G385-K387 PolarHBondContact O-N 3.13Å; K387-F389 VanDerWaalsContact C-N 3.25Å; K387-F389 PolarHBondContact O-N 3.3Å; K387-A397 HydrophobicContact CB-CB 3.62Å; K387-A397 HydrophobicContact CD-CB 4.36Å; K387-A397 WeakPolarHBondContact CD-O 3.44Å; K387-F398 CarbonylContact C-O 3.52Å; K387-F398 VanDerWaalsContact C-O 3.26Å; K387-F398 VanDerWaalsContact CA-O 3.27Å; K387-F398 WeakPolarHBondContact CA-O 3.25Å
388P80.7Confident82.4Confident78 Ų7873.8 Ų73.851%0.50640%0.402SS..  trans-73.1-14.8-172.828.8-34.2000113.9E386E386-P388 VanDerWaalsContact C-CD 3.41Å; E386-P388 VanDerWaalsContact O-CD 3.3Å; E386-P388 WeakPolarHBondContact O-CD 3.32Å
389F83.2Confident82.2Confident64 Ų6473.1 Ų73.128%0.28140%0.402SS..EExtended strand (participates in β ladder)trans-98.899.9-176.7-58-76.9000110.1K387 A397 F398 A401 L404K387-F389 VanDerWaalsContact C-N 3.25Å; K387-F389 PolarHBondContact O-N 3.3Å; F389-A397 CarbonylContact O-C 3.57Å; F389-A397 WeakPolarHBondContact O-CA 3.35Å; F389-F398 HydrophobicContact CB-CB 4.37Å; F389-F398 PolarHBondContact N-O 3.46Å; F389-F398 VanDerWaalsContact N-O 3.12Å; F389-F398 PolarHBondContact O-N 3.03Å; F389-A401 HydrophobicContact CD1-CB 3.89Å; F389-A401 HydrophobicContact CE1-CB 3.68Å; F389-A401 HydrophobicContact CE2-CB 4.34Å; F389-A401 HydrophobicContact CG-CB 4.31Å; F389-A401 HydrophobicContact CZ-CB 3.92Å; F389-L404 HydrophobicContact CB-CB 4.1Å; F389-L404 HydrophobicContact CB-CD2 3.9Å
390V85Confident82Confident86 Ų8675.9 Ų75.952%0.52141%0.414SS..EExtended strand (participates in β ladder)trans-96.9135.9179.1-171.10000109.3A397V390-A397 HydrophobicContact CG2-CB 3.97Å
391C83.2Confident81.8Confident5 Ų576.5 Ų76.53%0.03443%0.426CS..  trans-68.4136.1172.7177.70000110.4S393 C394 K396 F398 L404 H407 H412C391-S393 PolarHBondContact SG-N 3.03Å; C391-C394 CarbonylContact C-O 3.51Å; C391-C394 VanDerWaalsContact CB-O 3.25Å; C391-C394 WeakPolarHBondContact CB-O 3.36Å; C391-C394 PolarHBondContact SG-N 3.44Å; C391-K396 PolarHBondContact N-O 3.09Å; C391-F398 HydrophobicContact CB-CE2 4.31Å; C391-L404 HydrophobicContact CB-CD1 3.48Å; C391-L404 VanDerWaalsContact CB-CD1 3.48Å; C391-H407 PolarHBondContact SG-NE2 3.07Å; C391-H412 PolarHBondContact SG-CD2 3.39Å; C391-H412 PolarHBondContact SG-NE2 3.4Å; C391-H412 VanDerWaalsContact SG-NE2 3.37Å
392G81.6Confident81.6Confident77 Ų7777.5 Ų77.579%0.79444%0.442SS*.SBendtrans-68.4-39.1176.800000112.2
393S77.6Confident81.8Confident90 Ų9072.5 Ų72.563%0.62943%0.426SS*.SBendtrans-85.8-17.4-174.9-48.80000114.6C391C391-S393 PolarHBondContact SG-N 3.03Å
394C78.5Confident81.7Confident33 Ų3369.5 Ų69.522%0.22341%0.413CS..SBendtrans-143.4151.1171.681.90000110.2C391 K396 H407C391-C394 CarbonylContact C-O 3.51Å; C391-C394 VanDerWaalsContact CB-O 3.25Å; C391-C394 WeakPolarHBondContact CB-O 3.36Å; C391-C394 PolarHBondContact SG-N 3.44Å; C394-K396 PolarHBondContact O-N 3.29Å; C394-H407 VanDerWaalsContact SG-CE1 3.51Å; C394-H407 PolarHBondContact SG-NE2 2.99Å
395T81Confident81.7Confident141 Ų14169.5 Ų69.587%0.86542%0.416SS*.SBendtrans-70.910.3-175.554.50000114.6
396K83.5Confident81.6Confident131 Ų13174.1 Ų74.157%0.5742%0.417SS*.  trans-72.7134.6178.4-66.2-174.2178.3-177.80110.7C391 C394 F398C391-K396 PolarHBondContact N-O 3.09Å; C394-K396 PolarHBondContact O-N 3.29Å; K396-F398 HydrophobicContact CB-CE2 3.95Å; K396-F398 HydrophobicContact CB-CZ 3.97Å
397A83.1Confident81.7Confident32 Ų3271.3 Ų71.326%0.26440%0.404SS..EExtended strand (participates in β ladder)trans-113145.2178.500000111.3K387 F389 V390K387-A397 HydrophobicContact CB-CB 3.62Å; K387-A397 HydrophobicContact CD-CB 4.36Å; K387-A397 WeakPolarHBondContact CD-O 3.44Å; F389-A397 CarbonylContact O-C 3.57Å; F389-A397 WeakPolarHBondContact O-CA 3.35Å; V390-A397 HydrophobicContact CG2-CB 3.97Å
398F82.2Confident81.5Confident41 Ų4168.1 Ų68.118%0.1839%0.391CS..EExtended strand (participates in β ladder)trans-129.3149.2-173.7-57.6-88.2000111.2K387 F389 C391 K396 D403 L404 H407K387-F398 CarbonylContact C-O 3.52Å; K387-F398 VanDerWaalsContact C-O 3.26Å; K387-F398 VanDerWaalsContact CA-O 3.27Å; K387-F398 WeakPolarHBondContact CA-O 3.25Å; F389-F398 HydrophobicContact CB-CB 4.37Å; F389-F398 PolarHBondContact N-O 3.46Å; F389-F398 VanDerWaalsContact N-O 3.12Å; F389-F398 PolarHBondContact O-N 3.03Å; C391-F398 HydrophobicContact CB-CE2 4.31Å; K396-F398 HydrophobicContact CB-CE2 3.95Å; K396-F398 HydrophobicContact CB-CZ 3.97Å; F398-D403 HydrophobicContact CB-CB 4.19Å; F398-D403 HydrophobicContact CD1-CB 3.97Å; F398-D403 HydrophobicContact CG-CB 4.35Å; F398-L404 HydrophobicContact CB-CB 4.3Å; F398-L404 HydrophobicContact CD2-CB 3.85Å; F398-L404 HydrophobicContact CD2-CD1 3.8Å; F398-L404 HydrophobicContact CD2-CG 4.44Å; F398-L404 HydrophobicContact CE2-CD1 3.91Å; F398-L404 HydrophobicContact CG-CB 4.24Å; F398-H407 HydrophobicContact CE1-CB 3.97Å; F398-H407 HydrophobicContact CE2-CB 3.98Å; F398-H407 AromaticContact CE2-CD2 3.67Å; F398-H407 AromaticContact CE2-CG 3.76Å; F398-H407 HydrophobicContact CZ-CB 3.45Å; F398-H407 VanDerWaalsContact CZ-CB 3.45Å; F398-H407 AromaticContact CZ-CD2 3.68Å; F398-H407 AromaticContact CZ-CG 3.3Å; F398-H407 AromaticContact CZ-ND1 3.76Å
399A79.5Confident81.2Confident24 Ų2468.9 Ų68.920%0.19839%0.391CS..SBendtrans-78-23.8179.400000113.4R381R381-A399 PolarHBondContact NH1-O 3.47Å
400K81.5Confident80.8Confident65 Ų6571.2 Ų71.228%0.28341%0.406SS..SBendtrans-127147.8179.8-57.5177.7179.5175.40111.1D378 S402 D403 L404D378-K400 HydrophobicContact CB-CG 4.47Å; K400-S402 VanDerWaalsContact C-N 3.33Å; K400-S402 PolarHBondContact O-N 3.39Å; K400-D403 WeakPolarHBondContact CB-OD2 3.33Å; K400-D403 PolarHBondContact O-N 2.89Å; K400-L404 PolarHBondContact O-N 2.99Å
401A80.9Confident80.4Confident52 Ų5273.3 Ų73.343%0.4341%0.412SS..Hα-helixtrans-66.6-33.2176.800000112.9F389 D403 L404 K405F389-A401 HydrophobicContact CD1-CB 3.89Å; F389-A401 HydrophobicContact CE1-CB 3.68Å; F389-A401 HydrophobicContact CE2-CB 4.34Å; F389-A401 HydrophobicContact CG-CB 4.31Å; F389-A401 HydrophobicContact CZ-CB 3.92Å; A401-D403 VanDerWaalsContact C-N 3.34Å; A401-L404 PolarHBondContact O-N 2.95Å; A401-K405 WeakPolarHBondContact O-CB 3.48Å; A401-K405 PolarHBondContact O-N 2.98Å
402S82.1Confident80.1Confident79 Ų7976.1 Ų76.155%0.55242%0.424SS*.Hα-helixtrans-64.9-38177.252.40000112.2K400 K405 R406K400-S402 VanDerWaalsContact C-N 3.33Å; K400-S402 PolarHBondContact O-N 3.39Å; S402-K405 PolarHBondContact O-N 3.37Å; S402-R406 WeakPolarHBondContact O-CB 3.35Å; S402-R406 PolarHBondContact O-N 3.43Å
403D82.8Confident79.4Confident43 Ų4376 Ų7623%0.2341%0.411CS..Hα-helixtrans-66.9-41.9176.2-69-44.3000111.4F398 K400 A401 R406 H407F398-D403 HydrophobicContact CB-CB 4.19Å; F398-D403 HydrophobicContact CD1-CB 3.97Å; F398-D403 HydrophobicContact CG-CB 4.35Å; K400-D403 WeakPolarHBondContact CB-OD2 3.33Å; K400-D403 PolarHBondContact O-N 2.89Å; A401-D403 VanDerWaalsContact C-N 3.34Å; D403-R406 PolarHBondContact O-N 2.96Å; D403-R406 IonicContact OD1-CZ 3.85Å; D403-R406 IonicContact OD1-NH2 3.72Å; D403-R406 PolarHBondContact OD1-NH2 2.89Å; D403-H407 WeakPolarHBondContact O-CB 3.32Å; D403-H407 PolarHBondContact O-N 3.39Å
404L82.5Confident78.2Confident21 Ų2180 Ų8011%0.1142%0.42CS..Hα-helixtrans-58.3-50.8171.3170.360.2000111F389 C391 F398 K400 A401 R406 H407 E408F389-L404 HydrophobicContact CB-CB 4.1Å; F389-L404 HydrophobicContact CB-CD2 3.9Å; C391-L404 HydrophobicContact CB-CD1 3.48Å; C391-L404 VanDerWaalsContact CB-CD1 3.48Å; F398-L404 HydrophobicContact CB-CB 4.3Å; F398-L404 HydrophobicContact CD2-CB 3.85Å; F398-L404 HydrophobicContact CD2-CD1 3.8Å; F398-L404 HydrophobicContact CD2-CG 4.44Å; F398-L404 HydrophobicContact CE2-CD1 3.91Å; F398-L404 HydrophobicContact CG-CB 4.24Å; K400-L404 PolarHBondContact O-N 2.99Å; A401-L404 PolarHBondContact O-N 2.95Å; L404-R406 VanDerWaalsContact C-N 3.32Å; L404-R406 PolarHBondContact O-N 2.67Å; L404-H407 CarbonylContact O-C 3.39Å; L404-H407 WeakPolarHBondContact O-CA 3.05Å; L404-H407 WeakPolarHBondContact O-CB 3.48Å; L404-H407 PolarHBondContact O-N 3.47Å; L404-H407 VanDerWaalsContact O-N 3.09Å; L404-E408 HydrophobicContact CD1-CG 3.84Å; L404-E408 HydrophobicContact CG-CG 4.36Å; L404-E408 WeakPolarHBondContact O-CG 3.44Å; L404-E408 PolarHBondContact O-N 2.94Å
405K81.2Confident76.9Confident131 Ų13189 Ų8957%0.5745%0.449SS*.Hα-helixtrans-61.6-40.3-178.4-170.1170.6-174.9178.20112.3A401 S402 E408 N409A401-K405 WeakPolarHBondContact O-CB 3.48Å; A401-K405 PolarHBondContact O-N 2.98Å; S402-K405 PolarHBondContact O-N 3.37Å; K405-E408 PolarHBondContact O-N 3.46Å; K405-N409 WeakPolarHBondContact O-CB 3.28Å; K405-N409 PolarHBondContact O-N 2.88Å; K405-N409 PolarHBondContact O-OD1 3.32Å
406R78.6Confident75.5Confident150 Ų15090.9 Ų90.957%0.56645%0.446SS*.Hα-helixtrans-62.8-43.4173.6177.1173.658.1160.9-5.4111.3S402 D403 L404 N409 N410S402-R406 WeakPolarHBondContact O-CB 3.35Å; S402-R406 PolarHBondContact O-N 3.43Å; D403-R406 PolarHBondContact O-N 2.96Å; D403-R406 IonicContact OD1-CZ 3.85Å; D403-R406 IonicContact OD1-NH2 3.72Å; D403-R406 PolarHBondContact OD1-NH2 2.89Å; L404-R406 VanDerWaalsContact C-N 3.32Å; L404-R406 PolarHBondContact O-N 2.67Å; R406-N409 PolarHBondContact O-N 3.33Å; R406-N410 VanDerWaalsContact O-CB 3.32Å; R406-N410 WeakPolarHBondContact O-CB 3.29Å; R406-N410 PolarHBondContact O-N 2.96Å; R406-N410 PolarHBondContact O-OD1 2.91Å
407H83.4Confident73.7Confident23 Ų2393 Ų9311%0.10646%0.458CS..Hα-helixtrans-60.9-48.5175.4164.775.5000111.8C391 C394 F398 D403 L404 N409 N410 M411 H412C391-H407 PolarHBondContact SG-NE2 3.07Å; C394-H407 VanDerWaalsContact SG-CE1 3.51Å; C394-H407 PolarHBondContact SG-NE2 2.99Å; F398-H407 HydrophobicContact CE1-CB 3.97Å; F398-H407 HydrophobicContact CE2-CB 3.98Å; F398-H407 AromaticContact CE2-CD2 3.67Å; F398-H407 AromaticContact CE2-CG 3.76Å; F398-H407 HydrophobicContact CZ-CB 3.45Å; F398-H407 VanDerWaalsContact CZ-CB 3.45Å; F398-H407 AromaticContact CZ-CD2 3.68Å; F398-H407 AromaticContact CZ-CG 3.3Å; F398-H407 AromaticContact CZ-ND1 3.76Å; D403-H407 WeakPolarHBondContact O-CB 3.32Å; D403-H407 PolarHBondContact O-N 3.39Å; L404-H407 CarbonylContact O-C 3.39Å; L404-H407 WeakPolarHBondContact O-CA 3.05Å; L404-H407 WeakPolarHBondContact O-CB 3.48Å; L404-H407 PolarHBondContact O-N 3.47Å; L404-H407 VanDerWaalsContact O-N 3.09Å; H407-N409 VanDerWaalsContact C-N 3.35Å; H407-N409 PolarHBondContact O-N 3.47Å; H407-N410 PolarHBondContact O-N 3.49Å; H407-M411 VanDerWaalsContact O-CB 3.28Å; H407-M411 WeakPolarHBondContact O-CB 3.17Å; H407-M411 WeakPolarHBondContact O-CG 3.28Å; H407-M411 PolarHBondContact O-N 3.4Å; H407-H412 AromaticContact CD2-CD2 3.95Å; H407-H412 AromaticContact CD2-NE2 3.88Å; H407-H412 AromaticContact CE1-NE2 3.57Å; H407-H412 AromaticContact NE2-CD2 3.46Å; H407-H412 PolarHBondContact NE2-CD2 3Å; H407-H412 AromaticContact NE2-NE2 2.94Å; H407-H412 PolarHBondContact NE2-NE2 2.86Å
408E78.6Confident72.2Confident65 Ų6596 Ų9630%0.30447%0.472SS..Iπ-helixtrans-58.7-46.4176.8-72.217515600111.3L404 K405 N410 H412 S413L404-E408 HydrophobicContact CD1-CG 3.84Å; L404-E408 HydrophobicContact CG-CG 4.36Å; L404-E408 WeakPolarHBondContact O-CG 3.44Å; L404-E408 PolarHBondContact O-N 2.94Å; K405-E408 PolarHBondContact O-N 3.46Å; E408-N410 PolarHBondContact O-N 3.3Å; E408-H412 CarbonylContact O-C 3.5Å; E408-H412 VanDerWaalsContact O-C 3.28Å; E408-H412 VanDerWaalsContact O-CA 3.31Å; E408-H412 WeakPolarHBondContact O-CA 3.34Å; E408-H412 WeakPolarHBondContact O-CB 3.46Å; E408-H412 PolarHBondContact O-N 3.35Å; E408-S413 PolarHBondContact O-N 2.69Å
409N75Confident70.8Confident93 Ų9397.3 Ų97.350%0.49748%0.484SS..Iπ-helixtrans-63.9-39178.4-72.6-1.6000113K405 R406 H407 S413K405-N409 WeakPolarHBondContact O-CB 3.28Å; K405-N409 PolarHBondContact O-N 2.88Å; K405-N409 PolarHBondContact O-OD1 3.32Å; R406-N409 PolarHBondContact O-N 3.33Å; H407-N409 VanDerWaalsContact C-N 3.35Å; H407-N409 PolarHBondContact O-N 3.47Å; N409-S413 WeakPolarHBondContact O-CB 3.47Å
410N75Confident70.1Confident113 Ų113100.9 Ų100.960%0.60451%0.505SS*.Iπ-helixtrans-83-31.4-174.7-69.1-3.3000112.7R406 H407 E408R406-N410 VanDerWaalsContact O-CB 3.32Å; R406-N410 WeakPolarHBondContact O-CB 3.29Å; R406-N410 PolarHBondContact O-N 2.96Å; R406-N410 PolarHBondContact O-OD1 2.91Å; H407-N410 PolarHBondContact O-N 3.49Å; E408-N410 PolarHBondContact O-N 3.3Å
411M76Confident69.4Low130 Ų130101.3 Ų101.364%0.6452%0.516SS*.Iπ-helixtrans-109-35.2-171-58.8-71119.900113.1H407H407-M411 VanDerWaalsContact O-CB 3.28Å; H407-M411 WeakPolarHBondContact O-CB 3.17Å; H407-M411 WeakPolarHBondContact O-CG 3.28Å; H407-M411 PolarHBondContact O-N 3.4Å
412H78.2Confident68.6Low64 Ų64100.7 Ų100.730%0.29651%0.511SS..Iπ-helixtrans-117.11.5-172.5-54-57.3000113.2C391 H407 E408 E414C391-H412 PolarHBondContact SG-CD2 3.39Å; C391-H412 PolarHBondContact SG-NE2 3.4Å; C391-H412 VanDerWaalsContact SG-NE2 3.37Å; H407-H412 AromaticContact CD2-CD2 3.95Å; H407-H412 AromaticContact CD2-NE2 3.88Å; H407-H412 AromaticContact CE1-NE2 3.57Å; H407-H412 AromaticContact NE2-CD2 3.46Å; H407-H412 PolarHBondContact NE2-CD2 3Å; H407-H412 AromaticContact NE2-NE2 2.94Å; H407-H412 PolarHBondContact NE2-NE2 2.86Å; E408-H412 CarbonylContact O-C 3.5Å; E408-H412 VanDerWaalsContact O-C 3.28Å; E408-H412 VanDerWaalsContact O-CA 3.31Å; E408-H412 WeakPolarHBondContact O-CA 3.34Å; E408-H412 WeakPolarHBondContact O-CB 3.46Å; E408-H412 PolarHBondContact O-N 3.35Å; H412-E414 VanDerWaalsContact C-N 3.34Å; H412-E414 PolarHBondContact O-N 2.94Å
413S66.1Low68Low74 Ų74101 Ų10152%0.51751%0.506SS..  trans-66.2105.9164.2-173.60000106E408 N409 R415E408-S413 PolarHBondContact O-N 2.69Å; N409-S413 WeakPolarHBondContact O-CB 3.47Å; S413-R415 PolarHBondContact O-N 3.47Å
414E53.6Low67.6Low174 Ų174104.7 Ų104.781%0.81352%0.522SS*.  trans-52.792.8150.9-68.4179.3-178.400105.4H412 K416H412-E414 VanDerWaalsContact C-N 3.34Å; H412-E414 PolarHBondContact O-N 2.94Å; E414-K416 PolarHBondContact O-N 3.47Å
415R51.3Low67.5Low222 Ų222106.5 Ų106.584%0.83854%0.536SS*.  trans-58.694161-178.4-178.2-75.8-140.4-0.5102.7S413 Q417S413-R415 PolarHBondContact O-N 3.47Å; R415-Q417 VanDerWaalsContact C-N 3.27Å; R415-Q417 PolarHBondContact O-N 3.34Å
416K49.7Very low67.4Low182 Ų182106 Ų10679%0.79154%0.535SS*.  trans-45100.2-179.3-79.8-179.3176.8179.50105.7E414 V418E414-K416 PolarHBondContact O-N 3.47Å; K416-V418 PolarHBondContact O-N 3.37Å
417Q46.9Very low67.7Low175 Ų175101.5 Ų101.582%0.81853%0.525SS*.  trans-69.899173.6-69.7-167.81700102.5R415 T419R415-Q417 VanDerWaalsContact C-N 3.27Å; R415-Q417 PolarHBondContact O-N 3.34Å; Q417-T419 VanDerWaalsContact C-N 3.3Å; Q417-T419 PolarHBondContact O-N 3.49Å
418V52.3Low68.1Low95 Ų95106.5 Ų106.558%0.57655%0.548SS*.  trans-59.9104.1174.2-1740000104.6K416 I423K416-V418 PolarHBondContact O-N 3.37Å; V418-I423 HydrophobicContact CB-CD1 4.48Å; V418-I423 HydrophobicContact CG1-CD1 3.77Å; V418-I423 HydrophobicContact CG1-CG1 3.36Å
419T52.8Low68.7Low68 Ų68110 Ų11042%0.41757%0.565SS.*  trans-66.8143.5-179.557.50000107.7Q417 S421 A422 I423Q417-T419 VanDerWaalsContact C-N 3.3Å; Q417-T419 PolarHBondContact O-N 3.49Å; T419-S421 PolarHBondContact O-N 2.93Å; T419-S421 PolarHBondContact OG1-OG 2.89Å; T419-A422 PolarHBondContact O-N 3.28Å; T419-A422 PolarHBondContact OG1-N 2.86Å; T419-I423 PolarHBondContact O-N 3.43Å
420P63.2Low69.3Low100 Ų100111.2 Ų111.265%0.64957%0.57SS**Hα-helixtrans-51.5-29.6175.1-28.435000113I423 Q424P420-I423 PolarHBondContact O-N 2.8Å; P420-Q424 WeakPolarHBondContact O-CG 3.39Å; P420-Q424 PolarHBondContact O-N 3.31Å
421S67.8Low70.1Confident73 Ų73112.2 Ų112.251%0.5157%0.571SS.*Hα-helixtrans-66.9-37.6175.157.30000114.1T419 Q424 S425T419-S421 PolarHBondContact O-N 2.93Å; T419-S421 PolarHBondContact OG1-OG 2.89Å; S421-Q424 PolarHBondContact O-N 3.19Å; S421-S425 PolarHBondContact O-N 3.1Å
422A63.8Low71Confident39 Ų39108.8 Ų108.832%0.32256%0.564SS.*Hα-helixtrans-68.6-39.8176.600000110.8T419 Q424 S425 E426T419-A422 PolarHBondContact O-N 3.28Å; T419-A422 PolarHBondContact OG1-N 2.86Å; A422-Q424 VanDerWaalsContact C-N 3.32Å; A422-Q424 PolarHBondContact O-N 3.38Å; A422-S425 PolarHBondContact O-N 3.22Å; A422-S425 PolarHBondContact O-OG 3.42Å; A422-E426 WeakPolarHBondContact O-CB 3.43Å; A422-E426 PolarHBondContact O-N 3.35Å
423I68.5Low71.6Confident86 Ų86108.5 Ų108.544%0.44157%0.573SS.*Hα-helixtrans-62.2-42.3173.3-53.1179000110V418 T419 P420 E426 T427V418-I423 HydrophobicContact CB-CD1 4.48Å; V418-I423 HydrophobicContact CG1-CD1 3.77Å; V418-I423 HydrophobicContact CG1-CG1 3.36Å; T419-I423 PolarHBondContact O-N 3.43Å; P420-I423 PolarHBondContact O-N 2.8Å; I423-E426 PolarHBondContact O-N 2.91Å; I423-T427 HydrophobicContact CG2-CG2 4.42Å; I423-T427 WeakPolarHBondContact O-CB 3.36Å; I423-T427 WeakPolarHBondContact O-CG2 3.27Å; I423-T427 PolarHBondContact O-N 3.48Å; I423-T427 PolarHBondContact O-OG1 2.81Å
424Q75.4Confident72.8Confident121 Ų121107.4 Ų107.457%0.56557%0.568SS**Hα-helixtrans-61.4-47.8175.8-79.6175.5-19.900112.1P420 S421 A422 E426 T427 E428P420-Q424 WeakPolarHBondContact O-CG 3.39Å; P420-Q424 PolarHBondContact O-N 3.31Å; S421-Q424 PolarHBondContact O-N 3.19Å; A422-Q424 VanDerWaalsContact C-N 3.32Å; A422-Q424 PolarHBondContact O-N 3.38Å; Q424-E426 VanDerWaalsContact C-N 3.32Å; Q424-E426 PolarHBondContact O-N 2.91Å; Q424-T427 WeakPolarHBondContact CA-OG1 3.43Å; Q424-T427 PolarHBondContact O-N 3.02Å; Q424-T427 PolarHBondContact O-OG1 2.94Å; Q424-E428 WeakPolarHBondContact O-CB 3.4Å; Q424-E428 WeakPolarHBondContact O-CG 3.35Å; Q424-E428 PolarHBondContact O-N 2.84Å
425S81.3Confident74.8Confident58 Ų58105.5 Ų105.541%0.40656%0.561SS.*Hα-helixtrans-64.2-38.2179.262.80000112.7S421 A422 Q429S421-S425 PolarHBondContact O-N 3.1Å; A422-S425 PolarHBondContact O-N 3.22Å; A422-S425 PolarHBondContact O-OG 3.42Å; S425-Q429 WeakPolarHBondContact O-CG 3.35Å; S425-Q429 PolarHBondContact O-N 3.04Å
426E78.3Confident76.7Confident121 Ų12197.4 Ų97.457%0.56554%0.541SS*.Hα-helixtrans-72.4-36.6-179.6-154.5170.4-152.700110.9A422 I423 Q424 Q429 L430A422-E426 WeakPolarHBondContact O-CB 3.43Å; A422-E426 PolarHBondContact O-N 3.35Å; I423-E426 PolarHBondContact O-N 2.91Å; Q424-E426 VanDerWaalsContact C-N 3.32Å; Q424-E426 PolarHBondContact O-N 2.91Å; E426-Q429 PolarHBondContact O-N 2.76Å; E426-L430 WeakPolarHBondContact O-CB 3.26Å; E426-L430 VanDerWaalsContact O-CG 3.3Å; E426-L430 WeakPolarHBondContact O-CG 3.36Å; E426-L430 PolarHBondContact O-N 2.82Å
427T85.1Confident78.7Confident55 Ų5591.3 Ų91.334%0.33753%0.525SS..Hα-helixtrans-69.2-38.4173.143.90000113I423 Q424 L430 Q431I423-T427 HydrophobicContact CG2-CG2 4.42Å; I423-T427 WeakPolarHBondContact O-CB 3.36Å; I423-T427 WeakPolarHBondContact O-CG2 3.27Å; I423-T427 PolarHBondContact O-N 3.48Å; I423-T427 PolarHBondContact O-OG1 2.81Å; Q424-T427 WeakPolarHBondContact CA-OG1 3.43Å; Q424-T427 PolarHBondContact O-N 3.02Å; Q424-T427 PolarHBondContact O-OG1 2.94Å; T427-L430 PolarHBondContact O-N 3.25Å; T427-Q431 WeakPolarHBondContact O-CB 3.39Å; T427-Q431 PolarHBondContact O-N 3.42Å
428E90.9Very high80.8Confident128 Ų12888.8 Ų88.860%0.59851%0.513SS*.Hα-helixtrans-63.5-41.1173.4-75.317517700111.6Q424 Q431 A432Q424-E428 WeakPolarHBondContact O-CB 3.4Å; Q424-E428 WeakPolarHBondContact O-CG 3.35Å; Q424-E428 PolarHBondContact O-N 2.84Å; E428-Q431 PolarHBondContact O-N 3.22Å; E428-A432 WeakPolarHBondContact O-CB 3.38Å; E428-A432 PolarHBondContact O-N 3.46Å
429Q91.3Very high82.7Confident140 Ų14086.5 Ų86.565%0.65450%0.504SS*.Hα-helixtrans-64-43174.4-77.4179.9-5.300112.4S425 E426 A432 A433S425-Q429 WeakPolarHBondContact O-CG 3.35Å; S425-Q429 PolarHBondContact O-N 3.04Å; E426-Q429 PolarHBondContact O-N 2.76Å; Q429-A432 PolarHBondContact O-N 3.38Å; Q429-A433 WeakPolarHBondContact O-CB 3.47Å; Q429-A433 PolarHBondContact O-N 2.96Å
430L87.2Confident84.5Confident118 Ų11889.6 Ų89.662%0.61851%0.514SS*.Hα-helixtrans-66.6-38177-73.7168.8000112.3E426 T427 A433 A434E426-L430 WeakPolarHBondContact O-CB 3.26Å; E426-L430 VanDerWaalsContact O-CG 3.3Å; E426-L430 WeakPolarHBondContact O-CG 3.36Å; E426-L430 PolarHBondContact O-N 2.82Å; T427-L430 PolarHBondContact O-N 3.25Å; L430-A433 PolarHBondContact O-N 3.34Å; L430-A434 PolarHBondContact O-N 3.46Å
431Q93.6Very high85.6Confident133 Ų13390.9 Ų90.962%0.62151%0.511SS*.Hα-helixtrans-65-43.4173.6-82.5-174.9-6500111.9T427 E428 A433 A434 M435T427-Q431 WeakPolarHBondContact O-CB 3.39Å; T427-Q431 PolarHBondContact O-N 3.42Å; E428-Q431 PolarHBondContact O-N 3.22Å; Q431-A433 VanDerWaalsContact C-N 3.33Å; Q431-A433 PolarHBondContact O-N 2.7Å; Q431-A434 PolarHBondContact O-N 2.76Å; Q431-M435 WeakPolarHBondContact O-CG 3.49Å; Q431-M435 PolarHBondContact O-N 3.43Å
432A93.3Very high86.7Confident58 Ų5893.7 Ų93.748%0.47952%0.516SS..Hα-helixtrans-62-41.1176.600000112E428 Q429 M435 A436E428-A432 WeakPolarHBondContact O-CB 3.38Å; E428-A432 PolarHBondContact O-N 3.46Å; Q429-A432 PolarHBondContact O-N 3.38Å; A432-M435 PolarHBondContact O-N 2.8Å; A432-A436 PolarHBondContact O-N 2.78Å; A432-A436 VanDerWaalsContact O-N 3.07Å
433A91.3Very high87.9Confident59 Ų5997.5 Ų97.549%0.48853%0.53SS..Hα-helixtrans-64.6-39.7176.100000112.5Q429 L430 Q431 A436 A437Q429-A433 WeakPolarHBondContact O-CB 3.47Å; Q429-A433 PolarHBondContact O-N 2.96Å; L430-A433 PolarHBondContact O-N 3.34Å; Q431-A433 VanDerWaalsContact C-N 3.33Å; Q431-A433 PolarHBondContact O-N 2.7Å; A433-A436 PolarHBondContact O-N 3.25Å; A433-A437 PolarHBondContact O-N 3.08Å; A433-A437 VanDerWaalsContact O-N 3.13Å
434A91.9Very high88.6Confident51 Ų5199.9 Ų99.942%0.42154%0.54SS..Hα-helixtrans-64.5-42.817600000112L430 Q431 A436 A437 E438L430-A434 PolarHBondContact O-N 3.46Å; Q431-A434 PolarHBondContact O-N 2.76Å; A434-A436 VanDerWaalsContact C-N 3.32Å; A434-A436 PolarHBondContact O-N 3.38Å; A434-A437 PolarHBondContact O-N 3.32Å; A434-E438 PolarHBondContact O-N 3.1Å
435M94Very high89Confident134 Ų13498.2 Ų98.266%0.6654%0.538SS*.Hα-helixtrans-63.8-36.6176.5-71.8-175.764.300112.7Q431 A432 A439Q431-M435 WeakPolarHBondContact O-CG 3.49Å; Q431-M435 PolarHBondContact O-N 3.43Å; A432-M435 PolarHBondContact O-N 2.8Å; M435-A439 PolarHBondContact O-N 3.29Å; M435-A439 VanDerWaalsContact O-N 3.13Å
436A93Very high89.2Confident52 Ų52100.8 Ų100.843%0.4355%0.546SS..Hα-helixtrans-65-43.3175.400000111.8A432 A433 A434 E438 A439 E440A432-A436 PolarHBondContact O-N 2.78Å; A432-A436 VanDerWaalsContact O-N 3.07Å; A433-A436 PolarHBondContact O-N 3.25Å; A434-A436 VanDerWaalsContact C-N 3.32Å; A434-A436 PolarHBondContact O-N 3.38Å; A436-E438 PolarHBondContact O-N 2.79Å; A436-A439 PolarHBondContact O-N 3.19Å; A436-E440 PolarHBondContact O-N 3.31Å
437A90.5Very high89.1Confident53 Ų5399.1 Ų99.144%0.43855%0.553SS.*Hα-helixtrans-64.6-38.6177.600000112.7A433 A434 A439 E440 Q441A433-A437 PolarHBondContact O-N 3.08Å; A433-A437 VanDerWaalsContact O-N 3.13Å; A434-A437 PolarHBondContact O-N 3.32Å; A437-A439 VanDerWaalsContact C-N 3.34Å; A437-E440 PolarHBondContact O-N 2.86Å; A437-Q441 PolarHBondContact O-N 2.87Å
438E91.2Very high88.6Confident122 Ų122102.2 Ų102.257%0.5758%0.575SS**Hα-helixtrans-64.1-39174.6-74.3179.3177.500111.9A434 A436 Q441 Q442A434-E438 PolarHBondContact O-N 3.1Å; A436-E438 PolarHBondContact O-N 2.79Å; E438-Q441 PolarHBondContact O-N 3.36Å; E438-Q442 WeakPolarHBondContact O-CG 3.25Å; E438-Q442 PolarHBondContact O-N 2.9Å
439A91.7Very high87.3Confident48 Ų48103 Ų10340%0.39760%0.595SS.*Hα-helixtrans-66-39.4176.200000112.4M435 A436 A437 Q442 L443M435-A439 PolarHBondContact O-N 3.29Å; M435-A439 VanDerWaalsContact O-N 3.13Å; A436-A439 PolarHBondContact O-N 3.19Å; A437-A439 VanDerWaalsContact C-N 3.34Å; A439-Q442 PolarHBondContact O-N 2.83Å; A439-L443 PolarHBondContact O-N 2.78Å; A439-L443 VanDerWaalsContact O-N 3.1Å
440E90.6Very high87.1Confident132 Ų132101.2 Ų101.262%0.61759%0.592SS**Hα-helixtrans-63.2-42.2173.9-72.6178.6172.600111.6A436 A437 Q442 L443 E444A436-E440 PolarHBondContact O-N 3.31Å; A437-E440 PolarHBondContact O-N 2.86Å; E440-Q442 VanDerWaalsContact C-N 3.33Å; E440-Q442 PolarHBondContact O-N 3.26Å; E440-L443 WeakPolarHBondContact O-CB 3.28Å; E440-L443 PolarHBondContact O-N 2.67Å; E440-L443 VanDerWaalsContact O-N 3.16Å; E440-E444 PolarHBondContact O-N 2.69Å
441Q87.6Confident87.1Confident128 Ų128100.3 Ų100.360%0.59859%0.591SS**Hα-helixtrans-65.7-34.4177.2-166177.87.400112.6A437 E438 E444 T445A437-Q441 PolarHBondContact O-N 2.87Å; E438-Q441 PolarHBondContact O-N 3.36Å; Q441-E444 PolarHBondContact O-N 2.67Å; Q441-T445 PolarHBondContact O-N 3.14Å; Q441-T445 VanDerWaalsContact O-N 3.08Å; Q441-T445 PolarHBondContact O-OG1 3.41Å
442Q90.5Very high86.7Confident131 Ų13198.4 Ų98.461%0.61259%0.589SS**Hα-helixtrans-66.4-37.5172.8-74.5-176.1-3.800112.1E438 A439 E440 T445 I446E438-Q442 WeakPolarHBondContact O-CG 3.25Å; E438-Q442 PolarHBondContact O-N 2.9Å; A439-Q442 PolarHBondContact O-N 2.83Å; E440-Q442 VanDerWaalsContact C-N 3.33Å; E440-Q442 PolarHBondContact O-N 3.26Å; Q442-T445 VanDerWaalsContact CA-OG1 3.31Å; Q442-T445 WeakPolarHBondContact CA-OG1 3.49Å; Q442-T445 PolarHBondContact O-N 3.29Å; Q442-T445 PolarHBondContact O-OG1 3.33Å; Q442-I446 WeakPolarHBondContact O-CD1 3.4Å; Q442-I446 VanDerWaalsContact O-CG1 3.27Å; Q442-I446 WeakPolarHBondContact O-CG1 3.36Å; Q442-I446 PolarHBondContact O-N 3.23Å; Q442-I446 VanDerWaalsContact O-N 3.09Å
443L89.4Confident86.3Confident119 Ų119100.8 Ų100.862%0.62360%0.595SS**Hα-helixtrans-67-40.6175.1-76.3164.1000112.1A439 E440 I446 A447A439-L443 PolarHBondContact O-N 2.78Å; A439-L443 VanDerWaalsContact O-N 3.1Å; E440-L443 WeakPolarHBondContact O-CB 3.28Å; E440-L443 PolarHBondContact O-N 2.67Å; E440-L443 VanDerWaalsContact O-N 3.16Å; L443-I446 PolarHBondContact O-N 3.14Å; L443-A447 WeakPolarHBondContact O-CB 3.28Å; L443-A447 PolarHBondContact O-N 3.33Å
444E82.5Confident86Confident137 Ų137103.4 Ų103.464%0.6460%0.602SS**Hα-helixtrans-65.2-38.1176.1-74.1-173.4165.800112.8E440 Q441 A447 C448E440-E444 PolarHBondContact O-N 2.69Å; Q441-E444 PolarHBondContact O-N 2.67Å; E444-A447 PolarHBondContact O-N 3.46Å; E444-C448 PolarHBondContact O-N 3.33Å; E444-C448 VanDerWaalsContact O-N 3.13Å; E444-C448 PolarHBondContact O-SG 3.09Å; E444-C448 VanDerWaalsContact O-SG 3.34Å
445T83.6Confident85.6Confident85 Ų85106.9 Ų106.952%0.52161%0.614SS.*Hα-helixtrans-69.2-38.4177.438.90000112.3Q441 Q442 A447 C448 S449Q441-T445 PolarHBondContact O-N 3.14Å; Q441-T445 VanDerWaalsContact O-N 3.08Å; Q441-T445 PolarHBondContact O-OG1 3.41Å; Q442-T445 VanDerWaalsContact CA-OG1 3.31Å; Q442-T445 WeakPolarHBondContact CA-OG1 3.49Å; Q442-T445 PolarHBondContact O-N 3.29Å; Q442-T445 PolarHBondContact O-OG1 3.33Å; T445-A447 VanDerWaalsContact C-N 3.32Å; T445-C448 PolarHBondContact O-N 2.92Å; T445-S449 PolarHBondContact O-N 3.16Å
446I85.3Confident85Confident113 Ų113105 Ų10558%0.57961%0.611SS**Hα-helixtrans-66.6-34.6172.3-65.9165.5000111.1Q442 L443 C448 S449Q442-I446 WeakPolarHBondContact O-CD1 3.4Å; Q442-I446 VanDerWaalsContact O-CG1 3.27Å; Q442-I446 WeakPolarHBondContact O-CG1 3.36Å; Q442-I446 PolarHBondContact O-N 3.23Å; Q442-I446 VanDerWaalsContact O-N 3.09Å; L443-I446 PolarHBondContact O-N 3.14Å; I446-C448 VanDerWaalsContact C-N 3.28Å; I446-C448 PolarHBondContact O-N 3.27Å; I446-S449 PolarHBondContact O-N 3.06Å; I446-S449 PolarHBondContact O-OG 3.09Å
447A77.4Confident84.4Confident85 Ų85109.1 Ų109.170%0.70263%0.625SS**Hα-helixtrans-71.8-22.3178.100000113.2L443 E444 T445L443-A447 WeakPolarHBondContact O-CB 3.28Å; L443-A447 PolarHBondContact O-N 3.33Å; E444-A447 PolarHBondContact O-N 3.46Å; T445-A447 VanDerWaalsContact C-N 3.32Å
448C72.7Confident83.9Confident120 Ų120113.8 Ų113.881%0.81164%0.64SS**Hα-helixtrans-88.1-20.1176.5-70.30000114.2E444 T445 I446E444-C448 PolarHBondContact O-N 3.33Å; E444-C448 VanDerWaalsContact O-N 3.13Å; E444-C448 PolarHBondContact O-SG 3.09Å; E444-C448 VanDerWaalsContact O-SG 3.34Å; T445-C448 PolarHBondContact O-N 2.92Å; I446-C448 VanDerWaalsContact C-N 3.28Å; I446-C448 PolarHBondContact O-N 3.27Å
449S64.6Low83.3Confident145 Ų145113 Ų113100%1.01465%0.647SS**  trans-860175.368.30000111.4T445 I446T445-S449 PolarHBondContact O-N 3.16Å; I446-S449 PolarHBondContact O-N 3.06Å; I446-S449 PolarHBondContact O-OG 3.09Å

Retrieved 449 of 449 residues in 76.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).