C4QPU2_SCHMA Loading...

Vacuolar protein sorting-associated, putative

AlphaFold DB , UniProt , Accession C4QPU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 611 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M91.3Very high96.5Very high38 Ų3839.7 Ų39.719%0.18718%0.183CC..  090.50-67-170-6700107.3L169 E529 I531 D557 V559M1-L169 HydrophobicContact CB-CD1 4.21Å; M1-L169 HydrophobicContact CB-CD2 4.02Å; M1-L169 HydrophobicContact CG-CD1 4.46Å; M1-L169 HydrophobicContact SD-CD1 4.28Å; M1-E529 HydrophobicContact CE-CB 3.73Å; M1-E529 HydrophobicContact CE-CG 4.11Å; M1-E529 HydrophobicContact CG-CG 4.38Å; M1-E529 HydrophobicContact SD-CB 3.71Å; M1-E529 HydrophobicContact SD-CG 4.04Å; M1-I531 HydrophobicContact SD-CD1 4.48Å; M1-I531 HydrophobicContact SD-CG1 4.22Å; M1-D557 WeakPolarHBondContact CA-OD2 3.3Å; M1-D557 WeakPolarHBondContact CB-OD2 3.18Å; M1-D557 VanDerWaalsContact CE-C 3.5Å; M1-D557 HydrophobicContact CE-CB 3.92Å; M1-D557 WeakPolarHBondContact CE-O 3.35Å; M1-D557 PolarHBondContact N-OD2 3.22Å; M1-V559 HydrophobicContact CB-CG2 3.86Å; M1-V559 HydrophobicContact CE-CG2 4.27Å
2D96.4Very high96.4Very high63 Ų6340.1 Ų40.134%0.33719%0.187SC..  trans-111.297.3179.8-176.5-19.7000108.5Y4 R5 A6 P133D2-Y4 PolarHBondContact OD1-N 3.45Å; D2-R5 HydrophobicContact CB-CB 4.01Å; D2-R5 WeakPolarHBondContact OD1-CB 3.46Å; D2-R5 PolarHBondContact OD1-N 3.31Å; D2-R5 WeakPolarHBondContact OD2-CB 3.26Å; D2-A6 PolarHBondContact O-N 3.23Å; D2-A6 VanDerWaalsContact O-N 3.12Å; D2-P133 WeakPolarHBondContact OD1-CB 3.49Å
3I96.8Very high96.3Very high0 Ų049.6 Ų49.60%022%0.22CC..Hα-helixtrans-70.6-34.3-176.562.7-176.1000111.9A6 V7 F128 P130 S132 P133 F136 V165 L169 V559I3-A6 PolarHBondContact O-N 3.32Å; I3-V7 PolarHBondContact O-N 2.96Å; I3-V7 VanDerWaalsContact O-N 3.11Å; I3-F128 HydrophobicContact CB-CE2 4.11Å; I3-F128 HydrophobicContact CB-CZ 4.5Å; I3-P130 HydrophobicContact CG1-CB 4.2Å; I3-S132 WeakPolarHBondContact CG1-O 3.18Å; I3-P133 WeakPolarHBondContact CG1-O 3.24Å; I3-P133 PolarHBondContact N-O 3.39Å; I3-F136 HydrophobicContact CD1-CB 3.63Å; I3-F136 HydrophobicContact CD1-CD1 3.61Å; I3-F136 HydrophobicContact CD1-CG 4.03Å; I3-V165 HydrophobicContact CG2-CG1 4.24Å; I3-L169 HydrophobicContact CG2-CD1 3.65Å; I3-L169 HydrophobicContact CG2-CD2 3.7Å; I3-L169 HydrophobicContact CG2-CG 3.8Å; I3-V559 HydrophobicContact CD1-CG1 3.77Å; I3-V559 HydrophobicContact CG2-CG1 4.01Å; I3-V559 HydrophobicContact CG2-CG2 4.36Å
4Y97.2Very high96.2Very high12 Ų1246.1 Ų46.15%0.04721%0.205CC..Hα-helixtrans-63.1-48.9178.4-174.5-78.9000109.9D2 A6 V7 K8 V37 V38 P130 E267D2-Y4 PolarHBondContact OD1-N 3.45Å; Y4-A6 VanDerWaalsContact C-N 3.31Å; Y4-A6 PolarHBondContact O-N 3.39Å; Y4-V7 PolarHBondContact O-N 3.31Å; Y4-K8 HydrophobicContact CE1-CB 4.48Å; Y4-K8 WeakPolarHBondContact O-CB 3.22Å; Y4-K8 PolarHBondContact O-N 2.7Å; Y4-V37 HydrophobicContact CE2-CG1 4.33Å; Y4-V37 PolarHBondContact OH-O 3.29Å; Y4-V37 VanDerWaalsContact OH-O 3.13Å; Y4-V38 HydrophobicContact CE1-CG1 4.28Å; Y4-V38 HydrophobicContact CE2-CG2 4.14Å; Y4-V38 WeakPolarHBondContact OH-CA 3.21Å; Y4-V38 PolarHBondContact OH-O 3.2Å; Y4-P130 HydrophobicContact CD2-CB 4.39Å; Y4-P130 HydrophobicContact CD2-CG 4.49Å; Y4-P130 VanDerWaalsContact CD2-O 3.24Å; Y4-P130 WeakPolarHBondContact CD2-O 3.48Å; Y4-E267 HydrophobicContact CD1-CG 3.92Å; Y4-E267 HydrophobicContact CD2-CG 4.29Å; Y4-E267 HydrophobicContact CE1-CB 4.22Å; Y4-E267 HydrophobicContact CE1-CG 3.51Å; Y4-E267 HydrophobicContact CE2-CG 3.9Å; Y4-E267 HydrophobicContact CG-CG 4.3Å; Y4-E267 VanDerWaalsContact CZ-CG 3.47Å
5R97.3Very high96Very high161 Ų16143.3 Ų43.361%0.60819%0.192SC*.Hα-helixtrans-64.2-35.4177.6-172.8173.6-177176.21112.5D2 K8 N9D2-R5 HydrophobicContact CB-CB 4.01Å; D2-R5 WeakPolarHBondContact OD1-CB 3.46Å; D2-R5 PolarHBondContact OD1-N 3.31Å; D2-R5 WeakPolarHBondContact OD2-CB 3.26Å; R5-K8 PolarHBondContact O-N 3.46Å; R5-N9 WeakPolarHBondContact O-CB 3.43Å; R5-N9 PolarHBondContact O-N 2.7Å; R5-N9 PolarHBondContact O-ND2 2.94Å
6A97.4Very high95.8Very high16 Ų1643.8 Ų43.813%0.13220%0.203CC..Hα-helixtrans-59.5-49.5175.100000111.2D2 I3 Y4 N9 Y10 A168D2-A6 PolarHBondContact O-N 3.23Å; D2-A6 VanDerWaalsContact O-N 3.12Å; I3-A6 PolarHBondContact O-N 3.32Å; Y4-A6 VanDerWaalsContact C-N 3.31Å; Y4-A6 PolarHBondContact O-N 3.39Å; A6-N9 PolarHBondContact O-N 2.84Å; A6-Y10 WeakPolarHBondContact O-CD2 3.33Å; A6-Y10 PolarHBondContact O-N 2.82Å; A6-A168 HydrophobicContact CB-CB 4.1Å
7V97.9Very high95.5Very high0 Ų042.7 Ų42.70%020%0.2CC..Hα-helixtrans-66.8-40.4176.9179.60000111.6I3 Y4 N9 Y10 L11 I34 V38 A126 F128 P130I3-V7 PolarHBondContact O-N 2.96Å; I3-V7 VanDerWaalsContact O-N 3.11Å; Y4-V7 PolarHBondContact O-N 3.31Å; V7-N9 VanDerWaalsContact C-N 3.28Å; V7-N9 PolarHBondContact O-N 3.48Å; V7-Y10 WeakPolarHBondContact O-CB 3.28Å; V7-Y10 PolarHBondContact O-N 3.02Å; V7-Y10 VanDerWaalsContact O-N 3.12Å; V7-L11 HydrophobicContact CG1-CD1 4.3Å; V7-L11 HydrophobicContact CG1-CG 4.31Å; V7-L11 WeakPolarHBondContact O-CG 3.31Å; V7-L11 PolarHBondContact O-N 3.19Å; V7-I34 HydrophobicContact CG1-CG2 3.83Å; V7-V38 HydrophobicContact CB-CG2 4.42Å; V7-V38 HydrophobicContact CG1-CG1 4.41Å; V7-V38 HydrophobicContact CG1-CG2 3.92Å; V7-A126 HydrophobicContact CG1-CB 4.06Å; V7-A126 HydrophobicContact CG2-CB 4.12Å; V7-F128 HydrophobicContact CG2-CE1 4.37Å; V7-F128 HydrophobicContact CG2-CE2 3.79Å; V7-F128 HydrophobicContact CG2-CZ 3.6Å; V7-P130 HydrophobicContact CB-CG 3.92Å; V7-P130 HydrophobicContact CG1-CG 4.14Å; V7-P130 HydrophobicContact CG2-CB 4.42Å; V7-P130 HydrophobicContact CG2-CG 3.89Å
8K97.1Very high94.7Very high28 Ų2841.9 Ų41.912%0.12220%0.202CC..Hα-helixtrans-57.4-41.4175-172.767.8171.9-169.50111.8Y4 R5 L11 N12 V38 C39 E43Y4-K8 HydrophobicContact CE1-CB 4.48Å; Y4-K8 WeakPolarHBondContact O-CB 3.22Å; Y4-K8 PolarHBondContact O-N 2.7Å; R5-K8 PolarHBondContact O-N 3.46Å; K8-L11 PolarHBondContact O-N 2.77Å; K8-N12 WeakPolarHBondContact O-CB 3.29Å; K8-N12 PolarHBondContact O-N 3.3Å; K8-V38 HydrophobicContact CB-CG1 3.73Å; K8-V38 HydrophobicContact CD-CG1 3.51Å; K8-V38 WeakPolarHBondContact CD-O 3.49Å; K8-V38 HydrophobicContact CG-CG1 4.23Å; K8-V38 PolarHBondContact NZ-O 3.46Å; K8-C39 PolarHBondContact NZ-SG 3.34Å; K8-E43 IonicContact NZ-OE1 3.69Å; K8-E43 PolarHBondContact NZ-OE1 3.24Å; K8-E43 IonicContact NZ-OE2 3.77Å; K8-E43 PolarHBondContact NZ-OE2 3.27Å
9N97Very high93.9Very high76 Ų7646.6 Ų46.641%0.40623%0.228SC..Hα-helixtrans-66.1-39.3177.2-69.3-25.8000112.2R5 A6 V7 R13R5-N9 WeakPolarHBondContact O-CB 3.43Å; R5-N9 PolarHBondContact O-N 2.7Å; R5-N9 PolarHBondContact O-ND2 2.94Å; A6-N9 PolarHBondContact O-N 2.84Å; V7-N9 VanDerWaalsContact C-N 3.28Å; V7-N9 PolarHBondContact O-N 3.48Å; N9-R13 VanDerWaalsContact O-CG 3.32Å; N9-R13 WeakPolarHBondContact O-CG 2.84Å; N9-R13 PolarHBondContact O-N 3.25Å; N9-R13 VanDerWaalsContact O-N 3.11Å
10Y97.1Very high93.2Very high41 Ų4147.6 Ų47.616%0.16125%0.25CS..Hα-helixtrans-60.8-52.4172.7-71.4-38.5000111A6 V7 N12 R13 M14 Y124 A126 A168A6-Y10 WeakPolarHBondContact O-CD2 3.33Å; A6-Y10 PolarHBondContact O-N 2.82Å; V7-Y10 WeakPolarHBondContact O-CB 3.28Å; V7-Y10 PolarHBondContact O-N 3.02Å; V7-Y10 VanDerWaalsContact O-N 3.12Å; Y10-N12 PolarHBondContact O-N 3.07Å; Y10-R13 PolarHBondContact O-N 2.98Å; Y10-M14 WeakPolarHBondContact O-CB 3.3Å; Y10-M14 PolarHBondContact O-N 2.93Å; Y10-Y124 HydrophobicContact CD1-CD1 4.46Å; Y10-Y124 AromaticContact CD1-CD2 3.96Å; Y10-Y124 HydrophobicContact CD1-CD2 3.96Å; Y10-Y124 HydrophobicContact CD1-CE2 4.35Å; Y10-Y124 HydrophobicContact CD1-CG 4.01Å; Y10-Y124 HydrophobicContact CG-CD2 4.04Å; Y10-Y124 HydrophobicContact CG-CG 4.23Å; Y10-Y124 WeakPolarHBondContact O-CE2 3.17Å; Y10-A126 HydrophobicContact CD2-CB 4.1Å; Y10-A168 HydrophobicContact CE2-CB 4Å
11L96.2Very high93Very high2 Ų246.1 Ų46.11%0.0124%0.244CC..Hα-helixtrans-61-43.9-179.6-64.7-177.2000112.3V7 K8 R13 M14 I15 V35 V38 F70V7-L11 HydrophobicContact CG1-CD1 4.3Å; V7-L11 HydrophobicContact CG1-CG 4.31Å; V7-L11 WeakPolarHBondContact O-CG 3.31Å; V7-L11 PolarHBondContact O-N 3.19Å; K8-L11 PolarHBondContact O-N 2.77Å; L11-R13 VanDerWaalsContact C-N 3.35Å; L11-R13 PolarHBondContact O-N 3.05Å; L11-M14 HydrophobicContact CD2-CE 3.58Å; L11-M14 PolarHBondContact O-N 2.92Å; L11-I15 VanDerWaalsContact O-CG1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 WeakPolarHBondContact O-CG2 3.46Å; L11-I15 PolarHBondContact O-N 3.49Å; L11-V35 HydrophobicContact CD1-CG2 4.15Å; L11-V35 HydrophobicContact CD2-CG2 3.88Å; L11-V38 HydrophobicContact CD1-CB 3.71Å; L11-V38 HydrophobicContact CD1-CG1 3.72Å; L11-F70 HydrophobicContact CD2-CD1 4.08Å; L11-F70 HydrophobicContact CD2-CE1 3.91Å; L11-F70 HydrophobicContact CD2-CZ 4.5Å
12N94.6Very high93.2Very high44 Ų4448.5 Ų48.524%0.23526%0.256CS..Hα-helixtrans-60.3-42.6177.9-75.4-10.9000112.3K8 Y10 I15 S16K8-N12 WeakPolarHBondContact O-CB 3.29Å; K8-N12 PolarHBondContact O-N 3.3Å; Y10-N12 PolarHBondContact O-N 3.07Å; N12-I15 WeakPolarHBondContact O-CG1 3.31Å; N12-S16 VanDerWaalsContact O-CB 3.28Å; N12-S16 WeakPolarHBondContact O-CB 3.48Å; N12-S16 PolarHBondContact O-N 2.85Å; N12-S16 VanDerWaalsContact O-N 3.13Å; N12-S16 PolarHBondContact O-OG 3.06Å
13R95Very high93.1Very high164 Ų16445.5 Ų45.562%0.61924%0.24SC*.Hα-helixtrans-63.7-46.6176.6-75.5176.4178.3-162.7-3.2111.2N9 Y10 L11 S16 Y124N9-R13 VanDerWaalsContact O-CG 3.32Å; N9-R13 WeakPolarHBondContact O-CG 2.84Å; N9-R13 PolarHBondContact O-N 3.25Å; N9-R13 VanDerWaalsContact O-N 3.11Å; Y10-R13 PolarHBondContact O-N 2.98Å; L11-R13 VanDerWaalsContact C-N 3.35Å; L11-R13 PolarHBondContact O-N 3.05Å; R13-S16 PolarHBondContact O-N 2.86Å; R13-S16 PolarHBondContact O-OG 3.24Å; R13-Y124 HydrophobicContact CB-CE2 4.16Å
14M95.1Very high93.1Very high1 Ų145.5 Ų45.51%0.00524%0.24CC..Hα-helixtrans-60.3-48.3-179.9177.9-178.579.600112.5Y10 L11 S16 V17 L25 I68 F70 F96 Y124Y10-M14 WeakPolarHBondContact O-CB 3.3Å; Y10-M14 PolarHBondContact O-N 2.93Å; L11-M14 HydrophobicContact CD2-CE 3.58Å; L11-M14 PolarHBondContact O-N 2.92Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 3.45Å; M14-V17 WeakPolarHBondContact O-CB 3.35Å; M14-V17 VanDerWaalsContact O-CG2 3.31Å; M14-V17 WeakPolarHBondContact O-CG2 3.12Å; M14-V17 PolarHBondContact O-N 3.37Å; M14-L25 HydrophobicContact CE-CD1 3.93Å; M14-I68 HydrophobicContact CG-CG2 3.64Å; M14-I68 HydrophobicContact SD-CG2 4.22Å; M14-F70 HydrophobicContact CE-CB 3.76Å; M14-F70 HydrophobicContact CE-CD1 4.17Å; M14-F70 HydrophobicContact CE-CG 3.93Å; M14-F70 HydrophobicContact SD-CB 3.5Å; M14-F70 WeakPolarHBondContact SD-CB 3.28Å; M14-F70 HydrophobicContact SD-CD1 4.42Å; M14-F70 HydrophobicContact SD-CD2 3.81Å; M14-F70 HydrophobicContact SD-CG 3.65Å; M14-F96 HydrophobicContact CB-CD1 4.31Å; M14-F96 HydrophobicContact CB-CE1 4.36Å; M14-F96 HydrophobicContact CB-CG 4.46Å; M14-F96 HydrophobicContact CG-CB 4.31Å; M14-F96 HydrophobicContact CG-CD1 3.97Å; M14-F96 HydrophobicContact CG-CD2 3.51Å; M14-F96 HydrophobicContact CG-CE1 4.21Å; M14-F96 HydrophobicContact CG-CE2 3.76Å; M14-F96 HydrophobicContact CG-CG 3.65Å; M14-F96 HydrophobicContact CG-CZ 4.14Å; M14-F96 HydrophobicContact SD-CB 3.79Å; M14-F96 HydrophobicContact SD-CD1 4.41Å; M14-F96 HydrophobicContact SD-CD2 4.01Å; M14-F96 HydrophobicContact SD-CG 3.81Å; M14-Y124 HydrophobicContact CB-CD2 4.3Å; M14-Y124 HydrophobicContact CB-CE2 3.9Å
15I93.5Very high93.1Very high3 Ų345 Ų452%0.01524%0.238CC..Hα-helixtrans-73-22.2-178.867.1-169.6000113.1L11 N12 V17 K23 Y47L11-I15 VanDerWaalsContact O-CG1 3.28Å; L11-I15 WeakPolarHBondContact O-CG1 3.42Å; L11-I15 WeakPolarHBondContact O-CG2 3.46Å; L11-I15 PolarHBondContact O-N 3.49Å; N12-I15 WeakPolarHBondContact O-CG1 3.31Å; I15-V17 PolarHBondContact O-N 3.18Å; I15-K23 PolarHBondContact O-NZ 2.97Å; I15-Y47 HydrophobicContact CB-CG 4.44Å; I15-Y47 HydrophobicContact CD1-CD2 3.33Å; I15-Y47 HydrophobicContact CD1-CE2 3.61Å; I15-Y47 HydrophobicContact CD1-CG 3.93Å; I15-Y47 HydrophobicContact CG1-CD1 4.19Å; I15-Y47 HydrophobicContact CG1-CD2 3.68Å; I15-Y47 HydrophobicContact CG1-CE2 4.09Å; I15-Y47 HydrophobicContact CG1-CG 3.72Å
16S92.6Very high93.1Very high52 Ų5237.3 Ų37.336%0.36421%0.209SC..THydrogen-bonded Turntrans-74.9-8.5175.671.50000114.2N12 R13 M14N12-S16 VanDerWaalsContact O-CB 3.28Å; N12-S16 WeakPolarHBondContact O-CB 3.48Å; N12-S16 PolarHBondContact O-N 2.85Å; N12-S16 VanDerWaalsContact O-N 3.13Å; N12-S16 PolarHBondContact O-OG 3.06Å; R13-S16 PolarHBondContact O-N 2.86Å; R13-S16 PolarHBondContact O-OG 3.24Å; M14-S16 VanDerWaalsContact C-N 3.29Å; M14-S16 PolarHBondContact O-N 3.45Å
17V90.9Very high93.2Very high25 Ų2536.6 Ų36.615%0.15220%0.203CC..THydrogen-bonded Turntrans-64.5152176.1174.80000110.5M14 I15 D19 K23 H94 F96 E120M14-V17 WeakPolarHBondContact O-CB 3.35Å; M14-V17 VanDerWaalsContact O-CG2 3.31Å; M14-V17 WeakPolarHBondContact O-CG2 3.12Å; M14-V17 PolarHBondContact O-N 3.37Å; I15-V17 PolarHBondContact O-N 3.18Å; V17-D19 VanDerWaalsContact C-N 3.27Å; V17-D19 PolarHBondContact O-N 2.95Å; V17-K23 VanDerWaalsContact O-CD 3.3Å; V17-K23 WeakPolarHBondContact O-CD 3.47Å; V17-K23 PolarHBondContact O-NZ 3.39Å; V17-H94 HydrophobicContact CG1-CB 4.38Å; V17-H94 VanDerWaalsContact CG1-CE1 3.43Å; V17-H94 WeakPolarHBondContact CG1-CE1 3.43Å; V17-H94 WeakPolarHBondContact CG1-ND1 3.46Å; V17-F96 HydrophobicContact CG2-CZ 3.92Å; V17-E120 WeakPolarHBondContact CG1-OE1 3.25Å
18A81.3Confident93.2Very high28 Ų2836.9 Ų36.923%0.23121%0.205CC..THydrogen-bonded Turntrans50.547.8-178.600000112.4S21 K23A18-S21 PolarHBondContact O-N 2.74Å; A18-S21 PolarHBondContact O-OG 2.94Å; A18-K23 HydrophobicContact CB-CD 4.36Å
19D78.6Confident93.1Very high132 Ų13239.6 Ų39.671%0.70622%0.217SC*.THydrogen-bonded Turntrans-55.1143.3-177-161.923000112.5V17 S21V17-D19 VanDerWaalsContact C-N 3.27Å; V17-D19 PolarHBondContact O-N 2.95Å; D19-S21 VanDerWaalsContact C-N 3.29Å; D19-S21 PolarHBondContact O-N 3.17Å
20G81.5Confident93.1Very high65 Ų6537.7 Ų37.767%0.6721%0.206SC*.THydrogen-bonded Turntrans73.114.1-176.300000115.4
21S88.7Confident93.2Very high17 Ų1735.8 Ų35.812%0.11920%0.199CC..SBendtrans-122.9151.1174.474.10000113.2A18 D19 K23 D48 R66A18-S21 PolarHBondContact O-N 2.74Å; A18-S21 PolarHBondContact O-OG 2.94Å; D19-S21 VanDerWaalsContact C-N 3.29Å; D19-S21 PolarHBondContact O-N 3.17Å; S21-K23 VanDerWaalsContact O-CE 3.31Å; S21-K23 WeakPolarHBondContact O-CE 3.48Å; S21-K23 WeakPolarHBondContact O-CG 3.25Å; S21-K23 PolarHBondContact O-N 3Å; S21-D48 VanDerWaalsContact O-CB 3.26Å; S21-D48 WeakPolarHBondContact O-CB 3.48Å; S21-R66 WeakPolarHBondContact OG-CD 3.34Å; S21-R66 PolarHBondContact OG-NH1 2.68Å
22M94.3Very high93.2Very high89 Ų8938.1 Ų38.144%0.43821%0.211SC..  trans-71.6127.4177.3-57.7179.868.900110.5Y50 L65 R66M22-Y50 HydrophobicContact CB-CD2 3.95Å; M22-Y50 HydrophobicContact CB-CE2 3.84Å; M22-Y50 HydrophobicContact CE-CD2 3.95Å; M22-Y50 HydrophobicContact CE-CE2 3.99Å; M22-Y50 HydrophobicContact CE-CG 4.43Å; M22-Y50 HydrophobicContact CG-CD2 4.2Å; M22-Y50 HydrophobicContact CG-CE2 3.67Å; M22-L65 HydrophobicContact CB-CD2 3.27Å; M22-L65 HydrophobicContact CE-CD2 4.01Å; M22-L65 HydrophobicContact CG-CD2 4.33Å; M22-L65 HydrophobicContact SD-CD2 4.23Å; M22-R66 PolarHBondContact O-N 3.31Å
23K96.1Very high93.3Very high0 Ų037.3 Ų37.30%021%0.205CC..EExtended strand (participates in β ladder)trans-124.9152.3-170.6-70.2168.1-70.8-178.20112.8I15 V17 A18 S21 Y47 D48 V49 Y50 R66 I68I15-K23 PolarHBondContact O-NZ 2.97Å; V17-K23 VanDerWaalsContact O-CD 3.3Å; V17-K23 WeakPolarHBondContact O-CD 3.47Å; V17-K23 PolarHBondContact O-NZ 3.39Å; A18-K23 HydrophobicContact CB-CD 4.36Å; S21-K23 VanDerWaalsContact O-CE 3.31Å; S21-K23 WeakPolarHBondContact O-CE 3.48Å; S21-K23 WeakPolarHBondContact O-CG 3.25Å; S21-K23 PolarHBondContact O-N 3Å; K23-Y47 WeakPolarHBondContact CE-O 3.31Å; K23-Y47 PolarHBondContact NZ-O 3.11Å; K23-D48 PolarHBondContact N-O 2.97Å; K23-V49 HydrophobicContact CB-CG2 4.02Å; K23-V49 WeakPolarHBondContact O-CA 3.36Å; K23-Y50 PolarHBondContact O-N 2.9Å; K23-R66 CarbonylContact C-O 3.21Å; K23-R66 VanDerWaalsContact CA-O 3.25Å; K23-R66 WeakPolarHBondContact CA-O 3.28Å; K23-R66 HydrophobicContact CG-CB 4.32Å; K23-I68 HydrophobicContact CD-CD1 3.77Å; K23-I68 HydrophobicContact CG-CD1 4.44Å
24V96.3Very high93.4Very high0 Ų029.5 Ų29.50%018%0.176CC..EExtended strand (participates in β ladder)trans-115.1134.7166.3-179.70000108.2L51 E53 L65 R66 I68 Y90V24-L51 WeakPolarHBondContact CA-O 3.47Å; V24-L51 HydrophobicContact CG1-CB 4.07Å; V24-L51 HydrophobicContact CG2-CB 4.09Å; V24-L51 HydrophobicContact CG2-CD1 4.17Å; V24-E53 HydrophobicContact CG1-CB 4.06Å; V24-E53 HydrophobicContact CG1-CG 3.73Å; V24-L65 HydrophobicContact CG2-CB 3.98Å; V24-L65 HydrophobicContact CG2-CD1 3.41Å; V24-L65 VanDerWaalsContact CG2-CD1 3.41Å; V24-L65 HydrophobicContact CG2-CG 4.32Å; V24-R66 PolarHBondContact N-O 3.43Å; V24-I68 PolarHBondContact O-N 3.4Å; V24-Y90 HydrophobicContact CB-CE1 4.16Å; V24-Y90 HydrophobicContact CG1-CE1 4.33Å; V24-Y90 HydrophobicContact CG2-CD1 4.29Å; V24-Y90 HydrophobicContact CG2-CE1 3.77Å
25L97.3Very high93.4Very high1 Ų129.7 Ų29.71%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-99.6108.8172178.963.6000109.1M14 L27 V35 V49 L51 I52 E53 I68 F70M14-L25 HydrophobicContact CE-CD1 3.93Å; L25-L27 HydrophobicContact CD1-CD2 3.87Å; L25-L27 HydrophobicContact CD2-CD1 4.08Å; L25-L27 HydrophobicContact CD2-CD2 4.16Å; L25-L27 HydrophobicContact CD2-CG 4.36Å; L25-L27 HydrophobicContact CG-CD1 4.21Å; L25-L27 HydrophobicContact CG-CD2 3.75Å; L25-L27 HydrophobicContact CG-CG 3.95Å; L25-V35 HydrophobicContact CD2-CG1 4.23Å; L25-V49 HydrophobicContact CB-CG1 3.6Å; L25-L51 PolarHBondContact N-O 2.99Å; L25-I52 HydrophobicContact CB-CG1 4.46Å; L25-I52 CarbonylContact O-C 3.59Å; L25-I52 WeakPolarHBondContact O-CA 3.35Å; L25-E53 PolarHBondContact O-N 3.27Å; L25-I68 CarbonylContact C-O 3.6Å; L25-I68 WeakPolarHBondContact CA-O 3.48Å; L25-I68 HydrophobicContact CD1-CB 4.19Å; L25-I68 HydrophobicContact CD1-CG2 3.85Å; L25-F70 HydrophobicContact CD1-CB 4.48Å
26M97.8Very high93.4Very high0 Ų031.5 Ų31.50%019%0.19CC..EExtended strand (participates in β ladder)trans-94.8122.7178.6-176.9-178.3-66.500110.6E53 I55 I68 C69 F70 E84 Y90M26-E53 CarbonylContact C-O 3.08Å; M26-E53 WeakPolarHBondContact CA-O 3.43Å; M26-I55 HydrophobicContact CG-CB 3.97Å; M26-I55 HydrophobicContact CG-CD1 4.46Å; M26-I55 HydrophobicContact CG-CG1 4.33Å; M26-I55 HydrophobicContact SD-CB 4Å; M26-I55 HydrophobicContact SD-CD1 3.67Å; M26-I55 HydrophobicContact SD-CG1 3.69Å; M26-I68 PolarHBondContact N-O 2.93Å; M26-C69 CarbonylContact O-C 3.59Å; M26-C69 WeakPolarHBondContact O-CA 3.35Å; M26-F70 PolarHBondContact O-N 3.41Å; M26-E84 HydrophobicContact CE-CG 4.48Å; M26-Y90 HydrophobicContact CE-CD2 4.3Å; M26-Y90 HydrophobicContact CE-CE2 3.51Å
27L98.3Very high93.5Very high0 Ų029.2 Ų29.20%017%0.174CC..EExtended strand (participates in β ladder)trans-125.2158.2-174.1-55.8179.1000111L25 L32 V35 I52 E53 R54 I55 F70L25-L27 HydrophobicContact CD1-CD2 3.87Å; L25-L27 HydrophobicContact CD2-CD1 4.08Å; L25-L27 HydrophobicContact CD2-CD2 4.16Å; L25-L27 HydrophobicContact CD2-CG 4.36Å; L25-L27 HydrophobicContact CG-CD1 4.21Å; L25-L27 HydrophobicContact CG-CD2 3.75Å; L25-L27 HydrophobicContact CG-CG 3.95Å; L27-L32 HydrophobicContact CB-CB 4.22Å; L27-L32 HydrophobicContact CD1-CB 4.28Å; L27-L32 HydrophobicContact CD1-CD1 3.86Å; L27-V35 HydrophobicContact CD1-CB 4.07Å; L27-V35 HydrophobicContact CD1-CG1 4.29Å; L27-V35 HydrophobicContact CD1-CG2 4.02Å; L27-V35 HydrophobicContact CD2-CG2 4.13Å; L27-I52 HydrophobicContact CD1-CG2 3.67Å; L27-I52 HydrophobicContact CG-CG2 4.29Å; L27-E53 PolarHBondContact N-O 3.33Å; L27-R54 CarbonylContact O-C 3.56Å; L27-R54 VanDerWaalsContact O-CA 3.27Å; L27-R54 WeakPolarHBondContact O-CA 3.32Å; L27-I55 PolarHBondContact O-N 3.24Å; L27-F70 HydrophobicContact CD2-CB 3.67Å; L27-F70 HydrophobicContact CD2-CD1 4.1Å; L27-F70 HydrophobicContact CD2-CG 4.4Å
28D98.2Very high93.7Very high7 Ų728 Ų284%0.03717%0.167CC..  trans-96.1179.4162.367.329.7000111E30 T31 L32 I55 L71 R72 N77D28-E30 PolarHBondContact O-N 3.41Å; D28-E30 WeakPolarHBondContact OD1-CA 3.41Å; D28-E30 PolarHBondContact OD1-N 3.42Å; D28-T31 VanDerWaalsContact CG-OG1 3.25Å; D28-T31 PolarHBondContact N-OG1 3.27Å; D28-T31 PolarHBondContact O-OG1 3.22Å; D28-T31 WeakPolarHBondContact OD1-CB 3.16Å; D28-T31 PolarHBondContact OD1-N 3.34Å; D28-T31 PolarHBondContact OD1-OG1 3.36Å; D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 3.14Å; D28-I55 HydrophobicContact CB-CG2 4.09Å; D28-L71 HydrophobicContact CB-CD2 4.06Å; D28-R72 WeakPolarHBondContact OD2-CB 3.43Å; D28-R72 WeakPolarHBondContact OD2-CG 3.42Å; D28-R72 PolarHBondContact OD2-N 3.32Å; D28-N77 PolarHBondContact OD2-ND2 3.13Å
29Q96Very high94.2Very high84 Ų8427 Ų2739%0.39316%0.158SC..Hα-helixtrans-58.9-28.6-179.1-177.464.16300113.7K33Q29-K33 WeakPolarHBondContact O-CD 3.39Å; Q29-K33 WeakPolarHBondContact O-CE 3.34Å; Q29-K33 VanDerWaalsContact O-CG 3.3Å; Q29-K33 WeakPolarHBondContact O-CG 3.49Å
30E96.3Very high94.7Very high37 Ų3722.7 Ų22.717%0.17314%0.138CC..Hα-helixtrans-90-49.8-174.6-69.2-70.6118.600111.4D28 L32 K33 I34 R72 R157D28-E30 PolarHBondContact O-N 3.41Å; D28-E30 WeakPolarHBondContact OD1-CA 3.41Å; D28-E30 PolarHBondContact OD1-N 3.42Å; E30-L32 VanDerWaalsContact C-N 3.26Å; E30-L32 PolarHBondContact O-N 2.89Å; E30-K33 VanDerWaalsContact O-CB 3.31Å; E30-K33 WeakPolarHBondContact O-CB 3.47Å; E30-K33 PolarHBondContact O-N 2.86Å; E30-K33 IonicContact OE1-NZ 3.5Å; E30-K33 PolarHBondContact OE1-NZ 2.84Å; E30-I34 PolarHBondContact O-N 2.82Å; E30-R72 VanDerWaalsContact CB-CD 3.41Å; E30-R72 HydrophobicContact CB-CG 4.03Å; E30-R157 IonicContact OE2-NE 2.92Å; E30-R157 IonicContact OE2-NH2 3.77Å
31T97.8Very high95Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-62.7-31.5175.951.40000112.3D28 K33 I34 V35 F70 R72D28-T31 VanDerWaalsContact CG-OG1 3.25Å; D28-T31 PolarHBondContact N-OG1 3.27Å; D28-T31 PolarHBondContact O-OG1 3.22Å; D28-T31 WeakPolarHBondContact OD1-CB 3.16Å; D28-T31 PolarHBondContact OD1-N 3.34Å; D28-T31 PolarHBondContact OD1-OG1 3.36Å; T31-K33 VanDerWaalsContact C-N 3.31Å; T31-K33 PolarHBondContact O-N 3.04Å; T31-I34 PolarHBondContact O-N 2.98Å; T31-V35 VanDerWaalsContact O-CG2 3.32Å; T31-V35 WeakPolarHBondContact O-CG2 3.28Å; T31-V35 PolarHBondContact O-N 2.83Å; T31-F70 WeakPolarHBondContact CB-O 3.42Å; T31-F70 HydrophobicContact CG2-CD1 3.83Å; T31-F70 HydrophobicContact CG2-CE1 3.76Å; T31-F70 HydrophobicContact CG2-CG 4.23Å; T31-F70 HydrophobicContact CG2-CZ 4.11Å; T31-F70 WeakPolarHBondContact CG2-O 3.49Å; T31-F70 PolarHBondContact OG1-O 3.17Å; T31-R72 HydrophobicContact CG2-CG 4.14Å
32L96.9Very high94.9Very high52 Ų5226.9 Ų26.927%0.27215%0.148SC..Hα-helixtrans-57.2-43.5169178.762.7000112L27 D28 E30 V35 S36 I52L27-L32 HydrophobicContact CB-CB 4.22Å; L27-L32 HydrophobicContact CD1-CB 4.28Å; L27-L32 HydrophobicContact CD1-CD1 3.86Å; D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 3.14Å; E30-L32 VanDerWaalsContact C-N 3.26Å; E30-L32 PolarHBondContact O-N 2.89Å; L32-V35 PolarHBondContact O-N 2.84Å; L32-S36 VanDerWaalsContact O-CB 3.24Å; L32-S36 WeakPolarHBondContact O-CB 3.41Å; L32-S36 PolarHBondContact O-N 2.89Å; L32-S36 PolarHBondContact O-OG 2.88Å; L32-I52 HydrophobicContact CD1-CG2 4.21Å
33K96Very high94.7Very high26 Ų2624.8 Ų24.811%0.11314%0.137CC..Hα-helixtrans-63.7-45.7178.3-56.9164.3-179.3177.30110.3Q29 E30 T31 S36 V37 I129 D139Q29-K33 WeakPolarHBondContact O-CD 3.39Å; Q29-K33 WeakPolarHBondContact O-CE 3.34Å; Q29-K33 VanDerWaalsContact O-CG 3.3Å; Q29-K33 WeakPolarHBondContact O-CG 3.49Å; E30-K33 VanDerWaalsContact O-CB 3.31Å; E30-K33 WeakPolarHBondContact O-CB 3.47Å; E30-K33 PolarHBondContact O-N 2.86Å; E30-K33 IonicContact OE1-NZ 3.5Å; E30-K33 PolarHBondContact OE1-NZ 2.84Å; T31-K33 VanDerWaalsContact C-N 3.31Å; T31-K33 PolarHBondContact O-N 3.04Å; K33-S36 PolarHBondContact O-N 2.84Å; K33-S36 PolarHBondContact O-OG 3.01Å; K33-V37 WeakPolarHBondContact O-CG2 3.48Å; K33-V37 PolarHBondContact O-N 2.85Å; K33-I129 HydrophobicContact CB-CD1 3.94Å; K33-I129 HydrophobicContact CB-CG1 4.48Å; K33-I129 HydrophobicContact CD-CD1 4.23Å; K33-D139 WeakPolarHBondContact CD-OD2 3.47Å; K33-D139 VanDerWaalsContact CE-OD2 3.22Å; K33-D139 WeakPolarHBondContact CE-OD2 3.41Å; K33-D139 IonicContact NZ-OD2 2.9Å; K33-D139 PolarHBondContact NZ-OD2 3.05Å
34I97.3Very high94.5Very high1 Ų125 Ų251%0.00514%0.138CC..Hα-helixtrans-58.8-51.2178.7-61.2161.6000110.8V7 E30 T31 S36 V37 V38 A126 F128 I129V7-I34 HydrophobicContact CG1-CG2 3.83Å; E30-I34 PolarHBondContact O-N 2.82Å; T31-I34 PolarHBondContact O-N 2.98Å; I34-S36 VanDerWaalsContact C-N 3.32Å; I34-S36 PolarHBondContact O-N 3.45Å; I34-V37 PolarHBondContact O-N 2.92Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 3.22Å; I34-A126 WeakPolarHBondContact CD1-O 3.14Å; I34-F128 WeakPolarHBondContact CG1-O 3.32Å; I34-I129 HydrophobicContact CG1-CG1 4.14Å
35V96.4Very high94.3Very high4 Ų429.2 Ų29.22%0.02416%0.159CC..Hα-helixtrans-61.7-41.3178.8173.10000110.9L11 L25 L27 T31 L32 V37 V38 C39 I44 F70L11-V35 HydrophobicContact CD1-CG2 4.15Å; L11-V35 HydrophobicContact CD2-CG2 3.88Å; L25-V35 HydrophobicContact CD2-CG1 4.23Å; L27-V35 HydrophobicContact CD1-CB 4.07Å; L27-V35 HydrophobicContact CD1-CG1 4.29Å; L27-V35 HydrophobicContact CD1-CG2 4.02Å; L27-V35 HydrophobicContact CD2-CG2 4.13Å; T31-V35 VanDerWaalsContact O-CG2 3.32Å; T31-V35 WeakPolarHBondContact O-CG2 3.28Å; T31-V35 PolarHBondContact O-N 2.83Å; L32-V35 PolarHBondContact O-N 2.84Å; V35-V37 VanDerWaalsContact C-N 3.27Å; V35-V37 PolarHBondContact O-N 2.82Å; V35-V38 PolarHBondContact O-N 3.08Å; V35-C39 HydrophobicContact CG1-CB 4.48Å; V35-C39 PolarHBondContact O-N 3.05Å; V35-I44 HydrophobicContact CG1-CD1 3.7Å; V35-F70 HydrophobicContact CG2-CD1 3.96Å; V35-F70 HydrophobicContact CG2-CE1 4.29Å
36S93.4Very high94Very high42 Ų4238.5 Ų38.529%0.29419%0.194SC..Hα-helixtrans-64.9-27.7-177.676.90000114.3L32 K33 I34L32-S36 VanDerWaalsContact O-CB 3.24Å; L32-S36 WeakPolarHBondContact O-CB 3.41Å; L32-S36 PolarHBondContact O-N 2.89Å; L32-S36 PolarHBondContact O-OG 2.88Å; K33-S36 PolarHBondContact O-N 2.84Å; K33-S36 PolarHBondContact O-OG 3.01Å; I34-S36 VanDerWaalsContact C-N 3.32Å; I34-S36 PolarHBondContact O-N 3.45Å
37V95Very high93.7Very high4 Ų442.2 Ų42.22%0.02421%0.209CC..Hα-helixtrans-81.5-33.7177.1169.90000111.5Y4 K33 I34 V35 I129 P130 L131 Q244Y4-V37 HydrophobicContact CE2-CG1 4.33Å; Y4-V37 PolarHBondContact OH-O 3.29Å; Y4-V37 VanDerWaalsContact OH-O 3.13Å; K33-V37 WeakPolarHBondContact O-CG2 3.48Å; K33-V37 PolarHBondContact O-N 2.85Å; I34-V37 PolarHBondContact O-N 2.92Å; V35-V37 VanDerWaalsContact C-N 3.27Å; V35-V37 PolarHBondContact O-N 2.82Å; V37-I129 HydrophobicContact CB-CG2 4.34Å; V37-I129 HydrophobicContact CG1-CG2 4.45Å; V37-I129 HydrophobicContact CG2-CG2 3.81Å; V37-P130 WeakPolarHBondContact CG1-O 3.4Å; V37-L131 HydrophobicContact CG2-CD2 4.49Å; V37-Q244 HydrophobicContact CG2-CB 3.92Å; V37-Q244 HydrophobicContact CG2-CG 4.5Å
38V95.4Very high93.5Very high0 Ų044.3 Ų44.30%022%0.22CC..Hα-helixtrans-97.2-29.5-168.8-179.80000113.3Y4 V7 K8 L11 I34 V35 P130Y4-V38 HydrophobicContact CE1-CG1 4.28Å; Y4-V38 HydrophobicContact CE2-CG2 4.14Å; Y4-V38 WeakPolarHBondContact OH-CA 3.21Å; Y4-V38 PolarHBondContact OH-O 3.2Å; V7-V38 HydrophobicContact CB-CG2 4.42Å; V7-V38 HydrophobicContact CG1-CG1 4.41Å; V7-V38 HydrophobicContact CG1-CG2 3.92Å; K8-V38 HydrophobicContact CB-CG1 3.73Å; K8-V38 HydrophobicContact CD-CG1 3.51Å; K8-V38 WeakPolarHBondContact CD-O 3.49Å; K8-V38 HydrophobicContact CG-CG1 4.23Å; K8-V38 PolarHBondContact NZ-O 3.46Å; L11-V38 HydrophobicContact CD1-CB 3.71Å; L11-V38 HydrophobicContact CD1-CG1 3.72Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 3.22Å; V35-V38 PolarHBondContact O-N 3.08Å; V38-P130 HydrophobicContact CG2-CG 3.46Å; V38-P130 VanDerWaalsContact CG2-CG 3.46Å
39C91.8Very high93.3Very high7 Ų744 Ų445%0.04722%0.218CC..  trans-128.9132.9-175.8-68.20000111.5K8 V35 I44K8-C39 PolarHBondContact NZ-SG 3.34Å; V35-C39 HydrophobicContact CG1-CB 4.48Å; V35-C39 PolarHBondContact O-N 3.05Å; C39-I44 HydrophobicContact CB-CD1 3.93Å; C39-I44 HydrophobicContact CB-CG1 3.86Å
40S88Confident93.1Very high40 Ų4044.8 Ų44.828%0.2822%0.218SC..  trans-76.6153.8166.665.30000110.9S42 E43 I44S40-S42 PolarHBondContact O-N 3.37Å; S40-E43 PolarHBondContact N-OE2 2.6Å; S40-E43 WeakPolarHBondContact O-CB 3.46Å; S40-E43 PolarHBondContact O-N 2.89Å; S40-E43 WeakPolarHBondContact OG-CG 3.31Å; S40-E43 PolarHBondContact OG-N 3.27Å; S40-E43 PolarHBondContact OG-OE2 2.95Å; S40-I44 PolarHBondContact O-N 3.36Å; S40-I44 VanDerWaalsContact O-N 3.08Å
41M87.1Confident93Very high88 Ų8846 Ų4643%0.43323%0.226SC..Hα-helixtrans-56.7-39.4174.5-172.762.4-179.100111.4E43 I44 M45 I52M41-E43 VanDerWaalsContact C-N 3.3Å; M41-E43 PolarHBondContact O-N 2.84Å; M41-I44 PolarHBondContact O-N 2.84Å; M41-M45 HydrophobicContact CE-CG 3.9Å; M41-M45 HydrophobicContact CE-SD 4.04Å; M41-M45 HydrophobicContact CG-CG 4.31Å; M41-M45 HydrophobicContact CG-SD 4.09Å; M41-M45 VanDerWaalsContact O-CG 3.31Å; M41-M45 WeakPolarHBondContact O-CG 3.44Å; M41-M45 PolarHBondContact O-N 2.74Å; M41-M45 HydrophobicContact SD-CG 4.44Å; M41-I52 HydrophobicContact CE-CD1 4.49Å; M41-I52 HydrophobicContact SD-CD1 3.65Å; M41-I52 HydrophobicContact SD-CG1 4.32Å
42S87.9Confident92.9Very high82 Ų8248.6 Ų48.657%0.57324%0.239SC*.Hα-helixtrans-62.9-33.6177.1-55.70000113.3S40 R46S40-S42 PolarHBondContact O-N 3.37Å; S42-R46 WeakPolarHBondContact O-CG 3.31Å; S42-R46 PolarHBondContact O-N 3.39Å
43E89.8Confident92.8Very high45 Ų4548.9 Ų48.921%0.2124%0.239CC..Hα-helixtrans-71.5-42.3173.3-73.9169.3122.400111.6K8 S40 M41 R46 Y47K8-E43 IonicContact NZ-OE1 3.69Å; K8-E43 PolarHBondContact NZ-OE1 3.24Å; K8-E43 IonicContact NZ-OE2 3.77Å; K8-E43 PolarHBondContact NZ-OE2 3.27Å; S40-E43 PolarHBondContact N-OE2 2.6Å; S40-E43 WeakPolarHBondContact O-CB 3.46Å; S40-E43 PolarHBondContact O-N 2.89Å; S40-E43 WeakPolarHBondContact OG-CG 3.31Å; S40-E43 PolarHBondContact OG-N 3.27Å; S40-E43 PolarHBondContact OG-OE2 2.95Å; M41-E43 VanDerWaalsContact C-N 3.3Å; M41-E43 PolarHBondContact O-N 2.84Å; E43-R46 WeakPolarHBondContact O-CB 3.17Å; E43-R46 PolarHBondContact O-N 3.4Å; E43-Y47 VanDerWaalsContact O-CD2 3.29Å; E43-Y47 WeakPolarHBondContact O-CD2 3.43Å
44I91.9Very high92.9Very high4 Ų451.5 Ų51.52%0.02125%0.248CC..Hα-helixtrans-61.7-45.9179.5-67.4170.7000110.5V35 C39 S40 M41 R46 Y47 V49 I52V35-I44 HydrophobicContact CG1-CD1 3.7Å; C39-I44 HydrophobicContact CB-CD1 3.93Å; C39-I44 HydrophobicContact CB-CG1 3.86Å; S40-I44 PolarHBondContact O-N 3.36Å; S40-I44 VanDerWaalsContact O-N 3.08Å; M41-I44 PolarHBondContact O-N 2.84Å; I44-R46 PolarHBondContact O-N 3.06Å; I44-Y47 PolarHBondContact O-N 3.26Å; I44-Y47 VanDerWaalsContact O-N 3.07Å; I44-V49 HydrophobicContact CG2-CB 3.52Å; I44-V49 HydrophobicContact CG2-CG1 3.45Å; I44-V49 VanDerWaalsContact CG2-CG1 3.45Å; I44-V49 HydrophobicContact CG2-CG2 4.24Å; I44-I52 HydrophobicContact CD1-CD1 3.78Å; I44-I52 HydrophobicContact CG2-CD1 4.36Å
45M91.8Very high92.9Very high90 Ų9051.7 Ų51.744%0.44325%0.249SC..Hα-helixtrans-64.6-23.8179.3-68.1-178.883.800114.1M41 Y47 D48 V49M41-M45 HydrophobicContact CE-CG 3.9Å; M41-M45 HydrophobicContact CE-SD 4.04Å; M41-M45 HydrophobicContact CG-CG 4.31Å; M41-M45 HydrophobicContact CG-SD 4.09Å; M41-M45 VanDerWaalsContact O-CG 3.31Å; M41-M45 WeakPolarHBondContact O-CG 3.44Å; M41-M45 PolarHBondContact O-N 2.74Å; M41-M45 HydrophobicContact SD-CG 4.44Å; M45-Y47 PolarHBondContact O-N 3.5Å; M45-D48 PolarHBondContact O-N 3.36Å; M45-V49 WeakPolarHBondContact CA-O 3.35Å
46R91.1Very high92.8Very high196 Ų19655.1 Ų55.174%0.7427%0.268SS*.THydrogen-bonded Turntrans-67.3-18.4174.7-76.2171.8-175.7178.31.9113.1S42 E43 I44S42-R46 WeakPolarHBondContact O-CG 3.31Å; S42-R46 PolarHBondContact O-N 3.39Å; E43-R46 WeakPolarHBondContact O-CB 3.17Å; E43-R46 PolarHBondContact O-N 3.4Å; I44-R46 PolarHBondContact O-N 3.06Å
47Y92.2Very high92.9Very high77 Ų7754.7 Ų54.730%0.30227%0.267SS..THydrogen-bonded Turntrans-100.731.2174.7-65.6-85.9000111.1I15 K23 E43 I44 M45 V49I15-Y47 HydrophobicContact CB-CG 4.44Å; I15-Y47 HydrophobicContact CD1-CD2 3.33Å; I15-Y47 HydrophobicContact CD1-CE2 3.61Å; I15-Y47 HydrophobicContact CD1-CG 3.93Å; I15-Y47 HydrophobicContact CG1-CD1 4.19Å; I15-Y47 HydrophobicContact CG1-CD2 3.68Å; I15-Y47 HydrophobicContact CG1-CE2 4.09Å; I15-Y47 HydrophobicContact CG1-CG 3.72Å; K23-Y47 WeakPolarHBondContact CE-O 3.31Å; K23-Y47 PolarHBondContact NZ-O 3.11Å; E43-Y47 VanDerWaalsContact O-CD2 3.29Å; E43-Y47 WeakPolarHBondContact O-CD2 3.43Å; I44-Y47 PolarHBondContact O-N 3.26Å; I44-Y47 VanDerWaalsContact O-N 3.07Å; M45-Y47 PolarHBondContact O-N 3.5Å; Y47-V49 PolarHBondContact O-N 2.89Å
48D93.8Very high92.7Very high44 Ų4460.7 Ų60.724%0.23531%0.306CS..THydrogen-bonded Turntrans56.323.3177.6-55.3-42.8000114.8S21 K23 M45 Y50S21-D48 VanDerWaalsContact O-CB 3.26Å; S21-D48 WeakPolarHBondContact O-CB 3.48Å; K23-D48 PolarHBondContact N-O 2.97Å; M45-D48 PolarHBondContact O-N 3.36Å; D48-Y50 HydrophobicContact CB-CE2 4.01Å; D48-Y50 WeakPolarHBondContact O-CD2 3.5Å; D48-Y50 VanDerWaalsContact O-CE2 3.25Å; D48-Y50 WeakPolarHBondContact O-CE2 3.4Å
49V94.4Very high92.6Very high0 Ų063 Ų630%031%0.314CS..EExtended strand (participates in β ladder)trans-89105.5170.9178.40000108.1K23 L25 I44 M45 Y47K23-V49 HydrophobicContact CB-CG2 4.02Å; K23-V49 WeakPolarHBondContact O-CA 3.36Å; L25-V49 HydrophobicContact CB-CG1 3.6Å; I44-V49 HydrophobicContact CG2-CB 3.52Å; I44-V49 HydrophobicContact CG2-CG1 3.45Å; I44-V49 VanDerWaalsContact CG2-CG1 3.45Å; I44-V49 HydrophobicContact CG2-CG2 4.24Å; M45-V49 WeakPolarHBondContact CA-O 3.35Å; Y47-V49 PolarHBondContact O-N 2.89Å
50Y91.6Very high92.5Very high101 Ų10170.2 Ų70.240%0.39635%0.347SS..EExtended strand (participates in β ladder)trans-93.7-24.7-173.3-65.8-82000113.4M22 K23 D48M22-Y50 HydrophobicContact CB-CD2 3.95Å; M22-Y50 HydrophobicContact CB-CE2 3.84Å; M22-Y50 HydrophobicContact CE-CD2 3.95Å; M22-Y50 HydrophobicContact CE-CE2 3.99Å; M22-Y50 HydrophobicContact CE-CG 4.43Å; M22-Y50 HydrophobicContact CG-CD2 4.2Å; M22-Y50 HydrophobicContact CG-CE2 3.67Å; K23-Y50 PolarHBondContact O-N 2.9Å; D48-Y50 HydrophobicContact CB-CE2 4.01Å; D48-Y50 WeakPolarHBondContact O-CD2 3.5Å; D48-Y50 VanDerWaalsContact O-CE2 3.25Å; D48-Y50 WeakPolarHBondContact O-CE2 3.4Å
51L93.6Very high92.8Very high62 Ų6271.1 Ų71.133%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-131.5140.1-177.4-60.9171.7000110V24 L25 E53 L62 L65V24-L51 WeakPolarHBondContact CA-O 3.47Å; V24-L51 HydrophobicContact CG1-CB 4.07Å; V24-L51 HydrophobicContact CG2-CB 4.09Å; V24-L51 HydrophobicContact CG2-CD1 4.17Å; L25-L51 PolarHBondContact N-O 2.99Å; L51-E53 HydrophobicContact CB-CG 4.43Å; L51-L62 HydrophobicContact CD1-CD1 3.68Å; L51-L65 HydrophobicContact CD1-CD1 4.2Å
52I95Very high93.1Very high56 Ų5668.9 Ų68.929%0.28734%0.343SS..EExtended strand (participates in β ladder)trans-114.2116.9167.6-59178.1000106.3L25 L27 L32 M41 I44L25-I52 HydrophobicContact CB-CG1 4.46Å; L25-I52 CarbonylContact O-C 3.59Å; L25-I52 WeakPolarHBondContact O-CA 3.35Å; L27-I52 HydrophobicContact CD1-CG2 3.67Å; L27-I52 HydrophobicContact CG-CG2 4.29Å; L32-I52 HydrophobicContact CD1-CG2 4.21Å; M41-I52 HydrophobicContact CE-CD1 4.49Å; M41-I52 HydrophobicContact SD-CD1 3.65Å; M41-I52 HydrophobicContact SD-CG1 4.32Å; I44-I52 HydrophobicContact CD1-CD1 3.78Å; I44-I52 HydrophobicContact CG2-CD1 4.36Å
53E95.8Very high93.3Very high57 Ų5771.6 Ų71.627%0.26635%0.347SS..EExtended strand (participates in β ladder)trans-118.5152-173.7-72.3-65.2167.100110.8V24 L25 M26 L27 L51V24-E53 HydrophobicContact CG1-CB 4.06Å; V24-E53 HydrophobicContact CG1-CG 3.73Å; L25-E53 PolarHBondContact O-N 3.27Å; M26-E53 CarbonylContact C-O 3.08Å; M26-E53 WeakPolarHBondContact CA-O 3.43Å; L27-E53 PolarHBondContact N-O 3.33Å; L51-E53 HydrophobicContact CB-CG 4.43Å
54R97.4Very high93.4Very high82 Ų8275.1 Ų75.131%0.30936%0.363SS..EExtended strand (participates in β ladder)trans-96136.3173.2-75.7178.758.4143.85.5111L27 D56 A57 R59L27-R54 CarbonylContact O-C 3.56Å; L27-R54 VanDerWaalsContact O-CA 3.27Å; L27-R54 WeakPolarHBondContact O-CA 3.32Å; R54-D56 VanDerWaalsContact C-N 3.28Å; R54-D56 WeakPolarHBondContact CB-OD1 3.46Å; R54-D56 IonicContact CZ-OD1 2.73Å; R54-D56 IonicContact CZ-OD2 3.91Å; R54-D56 IonicContact NE-OD1 2.7Å; R54-D56 PolarHBondContact NE-OD1 3.39Å; R54-D56 IonicContact NE-OD2 2.65Å; R54-D56 IonicContact NH2-OD1 3.15Å; R54-D56 PolarHBondContact NH2-OD1 3.09Å; R54-D56 IonicContact NH2-OD2 3.83Å; R54-D56 PolarHBondContact NH2-OD2 3.27Å; R54-D56 PolarHBondContact O-N 3.45Å; R54-A57 HydrophobicContact CB-CB 4.01Å; R54-A57 PolarHBondContact O-N 3.05Å; R54-R59 PolarHBondContact O-NH1 3.24Å
55I97.6Very high93.5Very high5 Ų575.2 Ų75.23%0.02636%0.363CS..THydrogen-bonded Turntrans-66.2-28.5-177.7-165.9155.5000113.9M26 L27 D28 R59 L71 F80 L81M26-I55 HydrophobicContact CG-CB 3.97Å; M26-I55 HydrophobicContact CG-CD1 4.46Å; M26-I55 HydrophobicContact CG-CG1 4.33Å; M26-I55 HydrophobicContact SD-CB 4Å; M26-I55 HydrophobicContact SD-CD1 3.67Å; M26-I55 HydrophobicContact SD-CG1 3.69Å; L27-I55 PolarHBondContact O-N 3.24Å; D28-I55 HydrophobicContact CB-CG2 4.09Å; I55-R59 VanDerWaalsContact CA-NH1 3.32Å; I55-R59 PolarHBondContact O-NH1 3.24Å; I55-L71 HydrophobicContact CB-CD2 4.09Å; I55-L71 HydrophobicContact CD1-CD1 3.42Å; I55-L71 VanDerWaalsContact CD1-CD1 3.42Å; I55-L71 HydrophobicContact CD1-CD2 3.99Å; I55-L71 HydrophobicContact CD1-CG 4.36Å; I55-L71 HydrophobicContact CG2-CD2 3.98Å; I55-F80 HydrophobicContact CD1-CB 4.21Å; I55-F80 HydrophobicContact CG1-CB 3.8Å; I55-L81 HydrophobicContact CD1-CB 4.03Å; I55-L81 HydrophobicContact CD1-CD1 4.26Å
56D95.7Very high93.8Very high76 Ų7674.5 Ų74.541%0.40636%0.356SS..THydrogen-bonded Turntrans-85.7-9.617964.8-29.7000113.9R54 F80R54-D56 VanDerWaalsContact C-N 3.28Å; R54-D56 WeakPolarHBondContact CB-OD1 3.46Å; R54-D56 IonicContact CZ-OD1 2.73Å; R54-D56 IonicContact CZ-OD2 3.91Å; R54-D56 IonicContact NE-OD1 2.7Å; R54-D56 PolarHBondContact NE-OD1 3.39Å; R54-D56 IonicContact NE-OD2 2.65Å; R54-D56 IonicContact NH2-OD1 3.15Å; R54-D56 PolarHBondContact NH2-OD1 3.09Å; R54-D56 IonicContact NH2-OD2 3.83Å; R54-D56 PolarHBondContact NH2-OD2 3.27Å; R54-D56 PolarHBondContact O-N 3.45Å; D56-F80 HydrophobicContact CB-CD2 4.48Å; D56-F80 HydrophobicContact CB-CE2 3.96Å; D56-F80 HydrophobicContact CB-CZ 4.05Å
57A94.7Very high94.1Very high33 Ų3365.1 Ų65.127%0.27332%0.321SS..SBendtrans-87149.6178.200000112.1R54 R59R54-A57 HydrophobicContact CB-CB 4.01Å; R54-A57 PolarHBondContact O-N 3.05Å; A57-R59 PolarHBondContact O-NH1 3.48Å
58P91.1Very high94.3Very high130 Ų13061.5 Ų61.584%0.84431%0.306SS*.  trans-65.9141.9168.729.5-34000110.4
59R93Very high94.5Very high48 Ų4859.4 Ų59.418%0.18130%0.295CS..  trans-135.8155.5-177.3-64.5171.7-58.4-85.1-2.8110.9R54 I55 A57 E84 Y90R54-R59 PolarHBondContact O-NH1 3.24Å; I55-R59 VanDerWaalsContact CA-NH1 3.32Å; I55-R59 PolarHBondContact O-NH1 3.24Å; A57-R59 PolarHBondContact O-NH1 3.48Å; R59-E84 IonicContact CZ-OE2 3.46Å; R59-E84 IonicContact NE-OE2 2.77Å; R59-E84 IonicContact NH2-OE2 3.71Å; R59-E84 PolarHBondContact NH2-OE2 3.4Å; R59-Y90 WeakPolarHBondContact CD-OH 3.4Å
60E90.1Very high94.7Very high159 Ų15959.5 Ų59.574%0.74330%0.295SS*.  trans-84.7151.6173.1-63.1-175.9169.600110.8L62E60-L62 PolarHBondContact O-N 3.23Å
61S92.6Very high95.1Very high59 Ų5954.7 Ų54.741%0.41328%0.277SS..  trans-74.2119.9174.3-169.30000110E63 N89S61-E63 WeakPolarHBondContact OG-CG 3.38Å; S61-E63 PolarHBondContact OG-OE1 3.17Å; S61-N89 CarbonylContact C-O 3.17Å
62L94.2Very high95.3Very high41 Ų4153.1 Ų53.122%0.21527%0.267CS..EExtended strand (participates in β ladder)trans-125.966.4179.2-61.6174.9000109.1L51 E60 H64 L65 N89 Y90L51-L62 HydrophobicContact CD1-CD1 3.68Å; E60-L62 PolarHBondContact O-N 3.23Å; L62-H64 PolarHBondContact O-N 3.42Å; L62-L65 HydrophobicContact CB-CB 4.44Å; L62-L65 HydrophobicContact CB-CD1 3.88Å; L62-L65 HydrophobicContact CB-CG 4.08Å; L62-L65 HydrophobicContact CD1-CD1 3.7Å; L62-L65 HydrophobicContact CG-CD1 4.38Å; L62-L65 PolarHBondContact O-N 3.12Å; L62-N89 CarbonylContact C-O 3.53Å; L62-N89 WeakPolarHBondContact CA-O 3.42Å; L62-N89 PolarHBondContact N-O 2.87Å; L62-Y90 HydrophobicContact CB-CD1 4.24Å; L62-Y90 HydrophobicContact CB-CE1 4.15Å
63E91.7Very high95.4Very high139 Ų13951.6 Ų51.665%0.6526%0.26SS*.EExtended strand (participates in β ladder)trans-61.8-7.3-172.4-59.8177.2-170.300115.3S61 N89 F91S61-E63 WeakPolarHBondContact OG-CG 3.38Å; S61-E63 PolarHBondContact OG-OE1 3.17Å; E63-N89 PolarHBondContact N-O 3.06Å; E63-F91 VanDerWaalsContact O-CB 3.28Å; E63-F91 WeakPolarHBondContact O-CB 3.24Å
64H91.6Very high95.4Very high119 Ų11951.1 Ų51.155%0.55126%0.261SS*.EExtended strand (participates in β ladder)trans-93.8-10.8175.460.6-80.2000113.1L62L62-H64 PolarHBondContact O-N 3.42Å
65L95.6Very high95.4Very high5 Ų554.6 Ų54.63%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-98.1147.6179.5-57-175.7000111M22 V24 L51 L62 Y90 F91M22-L65 HydrophobicContact CB-CD2 3.27Å; M22-L65 HydrophobicContact CE-CD2 4.01Å; M22-L65 HydrophobicContact CG-CD2 4.33Å; M22-L65 HydrophobicContact SD-CD2 4.23Å; V24-L65 HydrophobicContact CG2-CB 3.98Å; V24-L65 HydrophobicContact CG2-CD1 3.41Å; V24-L65 VanDerWaalsContact CG2-CD1 3.41Å; V24-L65 HydrophobicContact CG2-CG 4.32Å; L51-L65 HydrophobicContact CD1-CD1 4.2Å; L62-L65 HydrophobicContact CB-CB 4.44Å; L62-L65 HydrophobicContact CB-CD1 3.88Å; L62-L65 HydrophobicContact CB-CG 4.08Å; L62-L65 HydrophobicContact CD1-CD1 3.7Å; L62-L65 HydrophobicContact CG-CD1 4.38Å; L62-L65 PolarHBondContact O-N 3.12Å; L65-Y90 HydrophobicContact CB-CD1 4.27Å; L65-Y90 WeakPolarHBondContact O-CB 3.43Å; L65-F91 WeakPolarHBondContact O-CB 3.43Å; L65-F91 PolarHBondContact O-N 3.3Å
66R96.3Very high95.4Very high75 Ų7560.4 Ų60.428%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-93.7140.9169.8-64.8-175.9174.772.52.8110.3S21 M22 K23 V24 F91 S92S21-R66 WeakPolarHBondContact OG-CD 3.34Å; S21-R66 PolarHBondContact OG-NH1 2.68Å; M22-R66 PolarHBondContact O-N 3.31Å; K23-R66 CarbonylContact C-O 3.21Å; K23-R66 VanDerWaalsContact CA-O 3.25Å; K23-R66 WeakPolarHBondContact CA-O 3.28Å; K23-R66 HydrophobicContact CG-CB 4.32Å; V24-R66 PolarHBondContact N-O 3.43Å; R66-F91 HydrophobicContact CG-CB 4.47Å; R66-F91 HydrophobicContact CG-CD1 4.21Å; R66-S92 WeakPolarHBondContact CG-OG 3.34Å
67C97.3Very high95.5Very high0 Ų057.4 Ų57.40%029%0.289CS..EExtended strand (participates in β ladder)trans-101.6125.2-179.9-171.70000110.6Y90 S92 Y93 H94C67-Y90 HydrophobicContact CB-CD2 3.64Å; C67-Y90 HydrophobicContact CB-CE2 4.32Å; C67-Y90 HydrophobicContact CB-CG 3.78Å; C67-S92 PolarHBondContact N-O 2.73Å; C67-Y93 HydrophobicContact CB-CD1 3.66Å; C67-Y93 HydrophobicContact CB-CE1 3.9Å; C67-Y93 HydrophobicContact CB-CG 4.33Å; C67-Y93 CarbonylContact O-C 3.52Å; C67-Y93 WeakPolarHBondContact O-CA 3.37Å; C67-H94 PolarHBondContact O-N 3.08Å
68I97.9Very high95.7Very high0 Ų055.8 Ų55.80%028%0.276CS..EExtended strand (participates in β ladder)trans-100114.1164.5-64.4168.7000106.6M14 K23 V24 L25 M26 H94 F96M14-I68 HydrophobicContact CG-CG2 3.64Å; M14-I68 HydrophobicContact SD-CG2 4.22Å; K23-I68 HydrophobicContact CD-CD1 3.77Å; K23-I68 HydrophobicContact CG-CD1 4.44Å; V24-I68 PolarHBondContact O-N 3.4Å; L25-I68 CarbonylContact C-O 3.6Å; L25-I68 WeakPolarHBondContact CA-O 3.48Å; L25-I68 HydrophobicContact CD1-CB 4.19Å; L25-I68 HydrophobicContact CD1-CG2 3.85Å; M26-I68 PolarHBondContact N-O 2.93Å; I68-H94 HydrophobicContact CG1-CB 4.48Å; I68-F96 HydrophobicContact CG2-CD2 3.87Å; I68-F96 HydrophobicContact CG2-CE2 3.99Å
69C98.3Very high96Very high1 Ų153.3 Ų53.31%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-93.6124.8173.9-59.80000109.1M26 L71 H94 L95 F96M26-C69 CarbonylContact O-C 3.59Å; M26-C69 WeakPolarHBondContact O-CA 3.35Å; C69-L71 HydrophobicContact CB-CD1 3.98Å; C69-L71 HydrophobicContact CB-CG 4.19Å; C69-H94 PolarHBondContact N-O 3.29Å; C69-L95 HydrophobicContact CB-CD2 3.73Å; C69-F96 WeakPolarHBondContact O-CA 3.43Å; C69-F96 WeakPolarHBondContact O-CB 3.16Å; C69-F96 PolarHBondContact O-N 3.42Å
70F98.5Very high96.2Very high1 Ų153.9 Ų53.90%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-120.5107166.2-179.2-130.8000109.1L11 M14 L25 M26 L27 T31 V35 F96 A126L11-F70 HydrophobicContact CD2-CD1 4.08Å; L11-F70 HydrophobicContact CD2-CE1 3.91Å; L11-F70 HydrophobicContact CD2-CZ 4.5Å; M14-F70 HydrophobicContact CE-CB 3.76Å; M14-F70 HydrophobicContact CE-CD1 4.17Å; M14-F70 HydrophobicContact CE-CG 3.93Å; M14-F70 HydrophobicContact SD-CB 3.5Å; M14-F70 WeakPolarHBondContact SD-CB 3.28Å; M14-F70 HydrophobicContact SD-CD1 4.42Å; M14-F70 HydrophobicContact SD-CD2 3.81Å; M14-F70 HydrophobicContact SD-CG 3.65Å; L25-F70 HydrophobicContact CD1-CB 4.48Å; M26-F70 PolarHBondContact O-N 3.41Å; L27-F70 HydrophobicContact CD2-CB 3.67Å; L27-F70 HydrophobicContact CD2-CD1 4.1Å; L27-F70 HydrophobicContact CD2-CG 4.4Å; T31-F70 WeakPolarHBondContact CB-O 3.42Å; T31-F70 HydrophobicContact CG2-CD1 3.83Å; T31-F70 HydrophobicContact CG2-CE1 3.76Å; T31-F70 HydrophobicContact CG2-CG 4.23Å; T31-F70 HydrophobicContact CG2-CZ 4.11Å; T31-F70 WeakPolarHBondContact CG2-O 3.49Å; T31-F70 PolarHBondContact OG1-O 3.17Å; V35-F70 HydrophobicContact CG2-CD1 3.96Å; V35-F70 HydrophobicContact CG2-CE1 4.29Å; F70-F96 VanDerWaalsContact CA-O 3.32Å; F70-F96 WeakPolarHBondContact CA-O 3.48Å; F70-F96 HydrophobicContact CD2-CB 4.01Å; F70-A126 HydrophobicContact CZ-CB 4.05Å
71L98.7Very high96.6Very high1 Ų146.3 Ų46.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-137152.5-166-55.7170.3000111D28 I55 C69 L81 F96 F97 S98D28-L71 HydrophobicContact CB-CD2 4.06Å; I55-L71 HydrophobicContact CB-CD2 4.09Å; I55-L71 HydrophobicContact CD1-CD1 3.42Å; I55-L71 VanDerWaalsContact CD1-CD1 3.42Å; I55-L71 HydrophobicContact CD1-CD2 3.99Å; I55-L71 HydrophobicContact CD1-CG 4.36Å; I55-L71 HydrophobicContact CG2-CD2 3.98Å; C69-L71 HydrophobicContact CB-CD1 3.98Å; C69-L71 HydrophobicContact CB-CG 4.19Å; L71-L81 HydrophobicContact CD1-CD2 4.16Å; L71-F96 PolarHBondContact N-O 2.84Å; L71-F97 HydrophobicContact CB-CD1 4.47Å; L71-F97 HydrophobicContact CB-CE1 4.48Å; L71-F97 CarbonylContact O-C 3.47Å; L71-F97 WeakPolarHBondContact O-CA 3.28Å; L71-S98 PolarHBondContact O-N 3.25Å
72R98.1Very high96.8Very high29 Ų2943.5 Ų43.511%0.10921%0.205CC..  trans-70.9143163.9-57.6-164.965.3-146.9-7.3110D28 E30 T31 T74 N77 S98 D127 R157 D160D28-R72 WeakPolarHBondContact OD2-CB 3.43Å; D28-R72 WeakPolarHBondContact OD2-CG 3.42Å; D28-R72 PolarHBondContact OD2-N 3.32Å; E30-R72 VanDerWaalsContact CB-CD 3.41Å; E30-R72 HydrophobicContact CB-CG 4.03Å; T31-R72 HydrophobicContact CG2-CG 4.14Å; R72-T74 HydrophobicContact CB-CG2 3.9Å; R72-T74 PolarHBondContact O-N 2.84Å; R72-N77 WeakPolarHBondContact O-CB 3.36Å; R72-N77 PolarHBondContact O-ND2 2.89Å; R72-S98 WeakPolarHBondContact CA-OG 3.02Å; R72-S98 WeakPolarHBondContact CG-OG 3.38Å; R72-D127 WeakPolarHBondContact CD-OD1 3.22Å; R72-D127 WeakPolarHBondContact CG-OD1 3.47Å; R72-D127 IonicContact CZ-OD1 3.19Å; R72-D127 IonicContact CZ-OD2 3.63Å; R72-D127 VanDerWaalsContact CZ-OD2 3.28Å; R72-D127 VanDerWaalsContact NE-CG 3.33Å; R72-D127 IonicContact NE-OD1 2.71Å; R72-D127 PolarHBondContact NE-OD1 2.78Å; R72-D127 IonicContact NE-OD2 2.68Å; R72-D127 PolarHBondContact NE-OD2 2.98Å; R72-D127 IonicContact NH2-OD1 2.81Å; R72-D127 IonicContact NH2-OD2 3.81Å; R72-D127 PolarHBondContact NH2-OD2 3.48Å; R72-R157 VanDerWaalsContact CZ-CD 3.47Å; R72-R157 VanDerWaalsContact NH2-CD 3.3Å; R72-D160 IonicContact NH2-OD2 3.46Å
73P97.1Very high96.9Very high24 Ų2448 Ų4816%0.15622%0.223CC..  trans-78.150.7-179.833.4-37000112.7F97 H99 S100 I101P73-F97 HydrophobicContact CB-CB 4.34Å; P73-F97 HydrophobicContact CB-CD1 3.96Å; P73-F97 HydrophobicContact CB-CG 4.29Å; P73-H99 HydrophobicContact CG-CB 3.94Å; P73-S100 WeakPolarHBondContact CG-O 3.37Å; P73-I101 HydrophobicContact CB-CB 4.13Å; P73-I101 HydrophobicContact CB-CG1 4.37Å
74T96.6Very high97.2Very high46 Ų4641.8 Ų41.828%0.28219%0.194SC..  trans-87.3151.4-18070.10000111.2R72 E76 N77 I78R72-T74 HydrophobicContact CB-CG2 3.9Å; R72-T74 PolarHBondContact O-N 2.84Å; T74-E76 PolarHBondContact O-N 2.85Å; T74-E76 VanDerWaalsContact O-N 3.14Å; T74-N77 PolarHBondContact O-N 3.32Å; T74-N77 WeakPolarHBondContact OG1-CB 3.5Å; T74-N77 VanDerWaalsContact OG1-CG 3.27Å; T74-N77 PolarHBondContact OG1-N 3.28Å; T74-N77 VanDerWaalsContact OG1-N 3.11Å; T74-N77 PolarHBondContact OG1-ND2 2.76Å; T74-I78 WeakPolarHBondContact O-CG1 3.43Å; T74-I78 PolarHBondContact O-N 3Å
75K96.5Very high97.4Very high155 Ų15536.1 Ų36.167%0.67417%0.168SC*.Hα-helixtrans-53.9-36.3174.9-67.8-176.6179179.90112.5N79 L105K75-N79 WeakPolarHBondContact O-CB 3.41Å; K75-N79 PolarHBondContact O-N 3.08Å; K75-N79 PolarHBondContact O-ND2 2.92Å; K75-L105 HydrophobicContact CG-CD2 4.24Å
76E97.2Very high97.4Very high128 Ų12841.8 Ų41.860%0.59819%0.188SC*.Hα-helixtrans-64.9-52.4177.9179.9169.7-157.600111.9T74 I78 N79 F80T74-E76 PolarHBondContact O-N 2.85Å; T74-E76 VanDerWaalsContact O-N 3.14Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.36Å; E76-N79 WeakPolarHBondContact O-CB 3.34Å; E76-N79 PolarHBondContact O-N 3.49Å; E76-N79 VanDerWaalsContact O-N 3.11Å; E76-F80 HydrophobicContact CG-CD2 3.89Å; E76-F80 HydrophobicContact CG-CE2 3.44Å; E76-F80 VanDerWaalsContact CG-CE2 3.44Å; E76-F80 HydrophobicContact CG-CZ 4.37Å; E76-F80 VanDerWaalsContact O-CD2 3.31Å; E76-F80 WeakPolarHBondContact O-CD2 3.32Å; E76-F80 PolarHBondContact O-N 3.12Å
77N98Very high97.3Very high12 Ų1245.9 Ų45.96%0.06421%0.209CC..Hα-helixtrans-61.1-39.8177.2-71.8-22.3000112.1D28 R72 T74 N79 F80 L81D28-N77 PolarHBondContact OD2-ND2 3.13Å; R72-N77 WeakPolarHBondContact O-CB 3.36Å; R72-N77 PolarHBondContact O-ND2 2.89Å; T74-N77 PolarHBondContact O-N 3.32Å; T74-N77 WeakPolarHBondContact OG1-CB 3.5Å; T74-N77 VanDerWaalsContact OG1-CG 3.27Å; T74-N77 PolarHBondContact OG1-N 3.28Å; T74-N77 VanDerWaalsContact OG1-N 3.11Å; T74-N77 PolarHBondContact OG1-ND2 2.76Å; N77-N79 VanDerWaalsContact C-N 3.3Å; N77-N79 PolarHBondContact O-N 2.95Å; N77-F80 PolarHBondContact O-N 3.11Å; N77-L81 VanDerWaalsContact O-CB 3.29Å; N77-L81 WeakPolarHBondContact O-CB 3.35Å; N77-L81 PolarHBondContact O-N 2.99Å
78I98.2Very high97.3Very high0 Ų047.3 Ų47.30%022%0.218CC..Hα-helixtrans-64.2-37.4177-61.8-66.7000110.9T74 E76 S82 F97 I101 L105 Q108 L109T74-I78 WeakPolarHBondContact O-CG1 3.43Å; T74-I78 PolarHBondContact O-N 3Å; E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.36Å; I78-S82 VanDerWaalsContact O-CB 3.26Å; I78-S82 WeakPolarHBondContact O-CB 3.29Å; I78-S82 PolarHBondContact O-N 3.13Å; I78-S82 PolarHBondContact O-OG 3.03Å; I78-F97 HydrophobicContact CD1-CE1 3.74Å; I78-F97 HydrophobicContact CD1-CZ 3.84Å; I78-I101 HydrophobicContact CD1-CD1 3.63Å; I78-L105 HydrophobicContact CB-CD2 4.26Å; I78-L105 HydrophobicContact CD1-CB 4.38Å; I78-L105 HydrophobicContact CG1-CB 4.14Å; I78-L105 HydrophobicContact CG1-CD1 4.21Å; I78-L105 HydrophobicContact CG1-CD2 4.19Å; I78-L105 HydrophobicContact CG1-CG 4.4Å; I78-L105 HydrophobicContact CG2-CB 4.37Å; I78-L105 HydrophobicContact CG2-CD2 4.08Å; I78-Q108 HydrophobicContact CG2-CB 4.45Å; I78-Q108 HydrophobicContact CG2-CG 4.28Å; I78-L109 HydrophobicContact CD1-CD1 3.66Å; I78-L109 HydrophobicContact CD1-CD2 4.29Å; I78-L109 HydrophobicContact CD1-CG 4.07Å; I78-L109 HydrophobicContact CG2-CD2 3.96Å; I78-L109 HydrophobicContact CG2-CG 4.07Å
79N98.1Very high97.2Very high77 Ų7748.4 Ų48.441%0.41222%0.224SC..Hα-helixtrans-67.5-41.7174.5-72.4-23.1000112.4K75 E76 N77 S82 K83 Q108K75-N79 WeakPolarHBondContact O-CB 3.41Å; K75-N79 PolarHBondContact O-N 3.08Å; K75-N79 PolarHBondContact O-ND2 2.92Å; E76-N79 WeakPolarHBondContact O-CB 3.34Å; E76-N79 PolarHBondContact O-N 3.49Å; E76-N79 VanDerWaalsContact O-N 3.11Å; N77-N79 VanDerWaalsContact C-N 3.3Å; N77-N79 PolarHBondContact O-N 2.95Å; N79-S82 PolarHBondContact O-N 3.16Å; N79-K83 WeakPolarHBondContact O-CG 3.34Å; N79-K83 PolarHBondContact O-N 3.06Å; N79-K83 VanDerWaalsContact O-N 3.11Å; N79-Q108 PolarHBondContact OD1-NE2 2.93Å
80F98.1Very high97.1Very high60 Ų6048.7 Ų48.726%0.26323%0.225SC..Hα-helixtrans-64.1-45.8174.7-71.1-57000111.5I55 D56 E76 N77 S82 K83 E84I55-F80 HydrophobicContact CD1-CB 4.21Å; I55-F80 HydrophobicContact CG1-CB 3.8Å; D56-F80 HydrophobicContact CB-CD2 4.48Å; D56-F80 HydrophobicContact CB-CE2 3.96Å; D56-F80 HydrophobicContact CB-CZ 4.05Å; E76-F80 HydrophobicContact CG-CD2 3.89Å; E76-F80 HydrophobicContact CG-CE2 3.44Å; E76-F80 VanDerWaalsContact CG-CE2 3.44Å; E76-F80 HydrophobicContact CG-CZ 4.37Å; E76-F80 VanDerWaalsContact O-CD2 3.31Å; E76-F80 WeakPolarHBondContact O-CD2 3.32Å; E76-F80 PolarHBondContact O-N 3.12Å; N77-F80 PolarHBondContact O-N 3.11Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.13Å; F80-K83 WeakPolarHBondContact O-CB 3.39Å; F80-K83 PolarHBondContact O-N 2.63Å; F80-K83 VanDerWaalsContact O-N 3.12Å; F80-E84 PolarHBondContact O-N 3.05Å
81L97.7Very high96.9Very high0 Ų054 Ų540%025%0.248CC..Hα-helixtrans-64.5-38.2177.6-171.460.4000111.9I55 L71 N77 K83 E84 L85 L95 F97 L109I55-L81 HydrophobicContact CD1-CB 4.03Å; I55-L81 HydrophobicContact CD1-CD1 4.26Å; L71-L81 HydrophobicContact CD1-CD2 4.16Å; N77-L81 VanDerWaalsContact O-CB 3.29Å; N77-L81 WeakPolarHBondContact O-CB 3.35Å; N77-L81 PolarHBondContact O-N 2.99Å; L81-K83 VanDerWaalsContact C-N 3.27Å; L81-K83 PolarHBondContact O-N 3.22Å; L81-E84 WeakPolarHBondContact O-CB 3.25Å; L81-E84 PolarHBondContact O-N 2.92Å; L81-L85 HydrophobicContact CD1-CG 4.48Å; L81-L85 HydrophobicContact CG-CD1 4.29Å; L81-L85 HydrophobicContact CG-CG 4.48Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.17Å; L81-L95 HydrophobicContact CD1-CD2 4.01Å; L81-L95 HydrophobicContact CD2-CD1 3.89Å; L81-L95 HydrophobicContact CD2-CD2 3.86Å; L81-L95 HydrophobicContact CD2-CG 4.44Å; L81-L95 HydrophobicContact CG-CD2 4.48Å; L81-F97 HydrophobicContact CD2-CZ 4.24Å; L81-L109 HydrophobicContact CB-CD2 4.01Å; L81-L109 HydrophobicContact CD2-CD1 4.05Å; L81-L109 HydrophobicContact CD2-CD2 3.76Å; L81-L109 HydrophobicContact CG-CD2 3.87Å
82S97.8Very high96.9Very high1 Ų154.3 Ų54.31%0.00725%0.25CS..Hα-helixtrans-63.9-32.3173.9-58.30000112.5I78 N79 F80 R86 Q108I78-S82 VanDerWaalsContact O-CB 3.26Å; I78-S82 WeakPolarHBondContact O-CB 3.29Å; I78-S82 PolarHBondContact O-N 3.13Å; I78-S82 PolarHBondContact O-OG 3.03Å; N79-S82 PolarHBondContact O-N 3.16Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.13Å; S82-R86 WeakPolarHBondContact O-CG 3.4Å; S82-R86 PolarHBondContact O-N 2.88Å; S82-R86 PolarHBondContact O-NH1 2.78Å; S82-Q108 PolarHBondContact OG-NE2 3.48Å
83K96.3Very high96.9Very high136 Ų13653 Ų5359%0.59125%0.245SC*.Hα-helixtrans-73.5-39.4174.7-72.4172.6-178.3178.30111.2N79 F80 L81 K87N79-K83 WeakPolarHBondContact O-CG 3.34Å; N79-K83 PolarHBondContact O-N 3.06Å; N79-K83 VanDerWaalsContact O-N 3.11Å; F80-K83 WeakPolarHBondContact O-CB 3.39Å; F80-K83 PolarHBondContact O-N 2.63Å; F80-K83 VanDerWaalsContact O-N 3.12Å; L81-K83 VanDerWaalsContact C-N 3.27Å; L81-K83 PolarHBondContact O-N 3.22Å; K83-K87 PolarHBondContact O-N 2.97Å
84E96.3Very high96.9Very high8 Ų852.3 Ų52.34%0.03724%0.24CC..Hα-helixtrans-60.6-48.8174.4178.870.6-162.200111M26 R59 F80 L81 R86 K87 P88 N89 Y90 Y93M26-E84 HydrophobicContact CE-CG 4.48Å; R59-E84 IonicContact CZ-OE2 3.46Å; R59-E84 IonicContact NE-OE2 2.77Å; R59-E84 IonicContact NH2-OE2 3.71Å; R59-E84 PolarHBondContact NH2-OE2 3.4Å; F80-E84 PolarHBondContact O-N 3.05Å; L81-E84 WeakPolarHBondContact O-CB 3.25Å; L81-E84 PolarHBondContact O-N 2.92Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.41Å; E84-K87 CarbonylContact O-C 3.59Å; E84-K87 PolarHBondContact O-N 3.46Å; E84-K87 VanDerWaalsContact O-N 3.08Å; E84-P88 WeakPolarHBondContact O-CA 3.44Å; E84-N89 WeakPolarHBondContact OE1-CB 3.42Å; E84-N89 PolarHBondContact OE1-N 3.33Å; E84-N89 PolarHBondContact OE1-ND2 2.94Å; E84-N89 PolarHBondContact OE2-ND2 2.91Å; E84-Y90 WeakPolarHBondContact OE1-CD2 3.45Å; E84-Y93 HydrophobicContact CG-CE1 3.57Å; E84-Y93 PolarHBondContact OE1-OH 2.95Å
85L97Very high97Very high0 Ų050.2 Ų50.20%023%0.227CC..Hα-helixtrans-67-30.7-177.5-66.6174.9000113.8L81 K87 Y93 L109 A112 D113 V118L81-L85 HydrophobicContact CD1-CG 4.48Å; L81-L85 HydrophobicContact CG-CD1 4.29Å; L81-L85 HydrophobicContact CG-CG 4.48Å; L81-L85 WeakPolarHBondContact O-CG 3.32Å; L81-L85 PolarHBondContact O-N 3.17Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-Y93 HydrophobicContact CD2-CD1 4.28Å; L85-Y93 HydrophobicContact CD2-CD2 3.76Å; L85-Y93 HydrophobicContact CD2-CE2 4.15Å; L85-Y93 HydrophobicContact CD2-CG 3.86Å; L85-L109 HydrophobicContact CD1-CD2 4.38Å; L85-A112 CarbonylContact C-O 3.55Å; L85-A112 HydrophobicContact CB-CB 4.47Å; L85-D113 HydrophobicContact CD1-CB 4.32Å; L85-V118 HydrophobicContact CD1-CG2 3.77Å; L85-V118 HydrophobicContact CD2-CG2 3.67Å; L85-V118 HydrophobicContact CG-CG2 4.39Å
86R95.8Very high97.1Very high123 Ų12342.8 Ų42.846%0.46420%0.195SC..Hα-helixtrans-72.5-23.5172.7-72.4-176.1-173.1108.40.2113.7S82 E84 A112S82-R86 WeakPolarHBondContact O-CG 3.4Å; S82-R86 PolarHBondContact O-N 2.88Å; S82-R86 PolarHBondContact O-NH1 2.78Å; E84-R86 VanDerWaalsContact C-N 3.33Å; E84-R86 PolarHBondContact O-N 3.41Å; R86-A112 HydrophobicContact CG-CB 4.33Å; R86-A112 PolarHBondContact N-O 3.13Å
87K94.7Very high97.1Very high162 Ų16236.8 Ų36.870%0.70417%0.166SC*.SBendtrans-137.872.6176.8-168.9-171.4175.3-173.90108.7K83 E84 L85K83-K87 PolarHBondContact O-N 2.97Å; E84-K87 CarbonylContact O-C 3.59Å; E84-K87 PolarHBondContact O-N 3.46Å; E84-K87 VanDerWaalsContact O-N 3.08Å; L85-K87 VanDerWaalsContact C-N 3.31Å
88P95.5Very high97.1Very high30 Ų3036.2 Ų36.220%0.19516%0.163CC..  trans-66.7136.5-169.426.5-34.3000111.2E84 Y93 L117E84-P88 WeakPolarHBondContact O-CA 3.44Å; P88-Y93 VanDerWaalsContact CA-OH 3.31Å; P88-Y93 WeakPolarHBondContact CA-OH 3.43Å; P88-Y93 HydrophobicContact CB-CE2 3.83Å; P88-L117 HydrophobicContact CB-CD1 3.49Å; P88-L117 VanDerWaalsContact CB-CD1 3.49Å; P88-L117 HydrophobicContact CG-CD1 3.52Å
89N95.8Very high97.1Very high23 Ų2336.5 Ų36.512%0.12317%0.165CC..  trans-97.2-8.3172.8-66.1-55.6000112.6S61 L62 E63 E84 Y93S61-N89 CarbonylContact C-O 3.17Å; L62-N89 CarbonylContact C-O 3.53Å; L62-N89 WeakPolarHBondContact CA-O 3.42Å; L62-N89 PolarHBondContact N-O 2.87Å; E63-N89 PolarHBondContact N-O 3.06Å; E84-N89 WeakPolarHBondContact OE1-CB 3.42Å; E84-N89 PolarHBondContact OE1-N 3.33Å; E84-N89 PolarHBondContact OE1-ND2 2.94Å; E84-N89 PolarHBondContact OE2-ND2 2.91Å; N89-Y93 PolarHBondContact N-OH 3.22Å
90Y96.6Very high97Very high7 Ų734.1 Ų34.13%0.02715%0.154CC..EExtended strand (participates in β ladder)trans-131.2161.6-171.3-56-70.1000111.7V24 M26 R59 L62 L65 C67 E84 S92 Y93V24-Y90 HydrophobicContact CB-CE1 4.16Å; V24-Y90 HydrophobicContact CG1-CE1 4.33Å; V24-Y90 HydrophobicContact CG2-CD1 4.29Å; V24-Y90 HydrophobicContact CG2-CE1 3.77Å; M26-Y90 HydrophobicContact CE-CD2 4.3Å; M26-Y90 HydrophobicContact CE-CE2 3.51Å; R59-Y90 WeakPolarHBondContact CD-OH 3.4Å; L62-Y90 HydrophobicContact CB-CD1 4.24Å; L62-Y90 HydrophobicContact CB-CE1 4.15Å; L65-Y90 HydrophobicContact CB-CD1 4.27Å; L65-Y90 WeakPolarHBondContact O-CB 3.43Å; C67-Y90 HydrophobicContact CB-CD2 3.64Å; C67-Y90 HydrophobicContact CB-CE2 4.32Å; C67-Y90 HydrophobicContact CB-CG 3.78Å; E84-Y90 WeakPolarHBondContact OE1-CD2 3.45Å; Y90-S92 PolarHBondContact O-N 2.9Å; Y90-Y93 AromaticContact CD2-CE1 3.66Å; Y90-Y93 HydrophobicContact CD2-CE1 3.66Å; Y90-Y93 AromaticContact CD2-CZ 3.78Å; Y90-Y93 WeakPolarHBondContact CD2-OH 3.32Å; Y90-Y93 HydrophobicContact CG-CE1 4.5Å; Y90-Y93 PolarHBondContact N-OH 3.36Å
91F95.7Very high96.8Very high112 Ų11232.3 Ų32.349%0.49115%0.147SC..EExtended strand (participates in β ladder)trans-61.2-42.5-178.7-175.4-102.3000113.1E63 L65 R66E63-F91 VanDerWaalsContact O-CB 3.28Å; E63-F91 WeakPolarHBondContact O-CB 3.24Å; L65-F91 WeakPolarHBondContact O-CB 3.43Å; L65-F91 PolarHBondContact O-N 3.3Å; R66-F91 HydrophobicContact CG-CB 4.47Å; R66-F91 HydrophobicContact CG-CD1 4.21Å
92S96.9Very high96.7Very high8 Ų836.1 Ų36.16%0.05617%0.17CC..EExtended strand (participates in β ladder)trans-159.8160.5-177.971.90000110.8R66 C67 Y90 L117R66-S92 WeakPolarHBondContact CG-OG 3.34Å; C67-S92 PolarHBondContact N-O 2.73Å; Y90-S92 PolarHBondContact O-N 2.9Å; S92-L117 WeakPolarHBondContact CA-O 3.45Å
93Y98Very high96.5Very high0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-125.3128.1-175.5-63.4-98.6000111.6C67 E84 L85 P88 N89 Y90 L117 V118 V119C67-Y93 HydrophobicContact CB-CD1 3.66Å; C67-Y93 HydrophobicContact CB-CE1 3.9Å; C67-Y93 HydrophobicContact CB-CG 4.33Å; C67-Y93 CarbonylContact O-C 3.52Å; C67-Y93 WeakPolarHBondContact O-CA 3.37Å; E84-Y93 HydrophobicContact CG-CE1 3.57Å; E84-Y93 PolarHBondContact OE1-OH 2.95Å; L85-Y93 HydrophobicContact CD2-CD1 4.28Å; L85-Y93 HydrophobicContact CD2-CD2 3.76Å; L85-Y93 HydrophobicContact CD2-CE2 4.15Å; L85-Y93 HydrophobicContact CD2-CG 3.86Å; P88-Y93 VanDerWaalsContact CA-OH 3.31Å; P88-Y93 WeakPolarHBondContact CA-OH 3.43Å; P88-Y93 HydrophobicContact CB-CE2 3.83Å; N89-Y93 PolarHBondContact N-OH 3.22Å; Y90-Y93 AromaticContact CD2-CE1 3.66Å; Y90-Y93 HydrophobicContact CD2-CE1 3.66Å; Y90-Y93 AromaticContact CD2-CZ 3.78Å; Y90-Y93 WeakPolarHBondContact CD2-OH 3.32Å; Y90-Y93 HydrophobicContact CG-CE1 4.5Å; Y90-Y93 PolarHBondContact N-OH 3.36Å; Y93-L117 HydrophobicContact CD2-CB 3.96Å; Y93-L117 HydrophobicContact CE2-CB 4.36Å; Y93-L117 HydrophobicContact CE2-CD1 4.32Å; Y93-L117 PolarHBondContact N-O 2.55Å; Y93-V118 WeakPolarHBondContact O-CA 3.47Å; Y93-V119 PolarHBondContact O-N 2.96Å
94H98Very high96.6Very high11 Ų1146 Ų465%0.05122%0.215CC..EExtended strand (participates in β ladder)trans-109.8113.8170-61-102.9000108.2V17 C67 I68 C69 F96 E120V17-H94 HydrophobicContact CG1-CB 4.38Å; V17-H94 VanDerWaalsContact CG1-CE1 3.43Å; V17-H94 WeakPolarHBondContact CG1-CE1 3.43Å; V17-H94 WeakPolarHBondContact CG1-ND1 3.46Å; C67-H94 PolarHBondContact O-N 3.08Å; I68-H94 HydrophobicContact CG1-CB 4.48Å; C69-H94 PolarHBondContact N-O 3.29Å; H94-F96 HydrophobicContact CB-CE2 3.73Å; H94-E120 HydrophobicContact CB-CG 4.15Å; H94-E120 IonicContact CE1-OE1 3.79Å; H94-E120 IonicContact CG-OE1 3.63Å; H94-E120 IonicContact ND1-OE1 2.84Å; H94-E120 PolarHBondContact ND1-OE1 3.47Å
95L98.3Very high96.6Very high1 Ų146.3 Ų46.31%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-101.1117.8-169.3-53.1-176.7000110.9C69 L81 F97 L109 V118 E120 V121 Q122C69-L95 HydrophobicContact CB-CD2 3.73Å; L81-L95 HydrophobicContact CD1-CD2 4.01Å; L81-L95 HydrophobicContact CD2-CD1 3.89Å; L81-L95 HydrophobicContact CD2-CD2 3.86Å; L81-L95 HydrophobicContact CD2-CG 4.44Å; L81-L95 HydrophobicContact CG-CD2 4.48Å; L95-F97 HydrophobicContact CB-CE2 4.36Å; L95-L109 HydrophobicContact CD1-CD1 4.4Å; L95-V118 HydrophobicContact CD1-CG1 3.74Å; L95-V118 HydrophobicContact CD1-CG2 3.91Å; L95-V118 HydrophobicContact CG-CG1 4.01Å; L95-V118 HydrophobicContact CG-CG2 4.49Å; L95-E120 PolarHBondContact N-O 3.45Å; L95-V121 HydrophobicContact CB-CG1 4.42Å; L95-V121 HydrophobicContact CB-CG2 4.23Å; L95-V121 HydrophobicContact CD1-CG2 4.14Å; L95-V121 CarbonylContact O-C 3.58Å; L95-V121 VanDerWaalsContact O-CA 3.28Å; L95-V121 WeakPolarHBondContact O-CA 3.41Å; L95-Q122 PolarHBondContact O-N 3Å
96F98.4Very high96.6Very high0 Ų049.8 Ų49.80%024%0.236CC..EExtended strand (participates in β ladder)trans-116.5124.6174.9-61.3-93.3000109.6M14 V17 I68 C69 F70 L71 H94 Q122 Y124M14-F96 HydrophobicContact CB-CD1 4.31Å; M14-F96 HydrophobicContact CB-CE1 4.36Å; M14-F96 HydrophobicContact CB-CG 4.46Å; M14-F96 HydrophobicContact CG-CB 4.31Å; M14-F96 HydrophobicContact CG-CD1 3.97Å; M14-F96 HydrophobicContact CG-CD2 3.51Å; M14-F96 HydrophobicContact CG-CE1 4.21Å; M14-F96 HydrophobicContact CG-CE2 3.76Å; M14-F96 HydrophobicContact CG-CG 3.65Å; M14-F96 HydrophobicContact CG-CZ 4.14Å; M14-F96 HydrophobicContact SD-CB 3.79Å; M14-F96 HydrophobicContact SD-CD1 4.41Å; M14-F96 HydrophobicContact SD-CD2 4.01Å; M14-F96 HydrophobicContact SD-CG 3.81Å; V17-F96 HydrophobicContact CG2-CZ 3.92Å; I68-F96 HydrophobicContact CG2-CD2 3.87Å; I68-F96 HydrophobicContact CG2-CE2 3.99Å; C69-F96 WeakPolarHBondContact O-CA 3.43Å; C69-F96 WeakPolarHBondContact O-CB 3.16Å; C69-F96 PolarHBondContact O-N 3.42Å; F70-F96 VanDerWaalsContact CA-O 3.32Å; F70-F96 WeakPolarHBondContact CA-O 3.48Å; F70-F96 HydrophobicContact CD2-CB 4.01Å; L71-F96 PolarHBondContact N-O 2.84Å; H94-F96 HydrophobicContact CB-CE2 3.73Å; F96-Q122 CarbonylContact C-O 3.58Å; F96-Q122 WeakPolarHBondContact CA-O 3.14Å; F96-Q122 HydrophobicContact CD1-CB 3.75Å; F96-Q122 HydrophobicContact CD1-CG 4.41Å; F96-Q122 HydrophobicContact CE1-CB 3.79Å; F96-Q122 HydrophobicContact CE1-CG 3.95Å; F96-Y124 HydrophobicContact CD1-CD1 4.27Å; F96-Y124 HydrophobicContact CD1-CD2 4.17Å; F96-Y124 HydrophobicContact CD1-CE1 4.12Å; F96-Y124 HydrophobicContact CD1-CE2 4.04Å; F96-Y124 HydrophobicContact CD1-CG 4.31Å; F96-Y124 AromaticContact CD1-CZ 3.99Å; F96-Y124 HydrophobicContact CE1-CE1 4.23Å; F96-Y124 HydrophobicContact CE1-CE2 4.19Å; F96-Y124 AromaticContact CE1-CZ 3.88Å
97F98.5Very high96.7Very high1 Ų150.2 Ų50.20%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-101.4136.1174.6-66.1-71.8000111.3L71 P73 I78 L81 L95 H99 I101 L109 V121 Q122 Y124L71-F97 HydrophobicContact CB-CD1 4.47Å; L71-F97 HydrophobicContact CB-CE1 4.48Å; L71-F97 CarbonylContact O-C 3.47Å; L71-F97 WeakPolarHBondContact O-CA 3.28Å; P73-F97 HydrophobicContact CB-CB 4.34Å; P73-F97 HydrophobicContact CB-CD1 3.96Å; P73-F97 HydrophobicContact CB-CG 4.29Å; I78-F97 HydrophobicContact CD1-CE1 3.74Å; I78-F97 HydrophobicContact CD1-CZ 3.84Å; L81-F97 HydrophobicContact CD2-CZ 4.24Å; L95-F97 HydrophobicContact CB-CE2 4.36Å; F97-H99 VanDerWaalsContact CB-O 3.32Å; F97-H99 WeakPolarHBondContact CB-O 3.24Å; F97-H99 PolarHBondContact O-N 2.96Å; F97-I101 HydrophobicContact CD2-CB 4.23Å; F97-I101 HydrophobicContact CD2-CD1 4.1Å; F97-I101 HydrophobicContact CD2-CG2 4.19Å; F97-I101 HydrophobicContact CE1-CD1 4.26Å; F97-I101 HydrophobicContact CE2-CD1 3.64Å; F97-I101 HydrophobicContact CG-CB 4.48Å; F97-I101 HydrophobicContact CZ-CD1 3.75Å; F97-L109 HydrophobicContact CE2-CD1 4.18Å; F97-L109 HydrophobicContact CZ-CD1 3.66Å; F97-V121 HydrophobicContact CD2-CG1 4Å; F97-V121 HydrophobicContact CE2-CG1 3.74Å; F97-Q122 PolarHBondContact N-O 3.44Å; F97-Y124 PolarHBondContact O-N 3.24Å
98S98.1Very high96.8Very high0 Ų044.9 Ų44.90%022%0.218CC..SBendtrans-69.1-12.1-179.867.10000114.2L71 R72 Y124 F125 A126 D127 S164L71-S98 PolarHBondContact O-N 3.25Å; R72-S98 WeakPolarHBondContact CA-OG 3.02Å; R72-S98 WeakPolarHBondContact CG-OG 3.38Å; S98-Y124 CarbonylContact C-O 3.52Å; S98-Y124 WeakPolarHBondContact CA-O 3.42Å; S98-F125 CarbonylContact O-C 3.58Å; S98-F125 WeakPolarHBondContact O-CA 3.37Å; S98-A126 PolarHBondContact O-N 2.87Å; S98-D127 WeakPolarHBondContact CB-OD1 3.44Å; S98-D127 WeakPolarHBondContact O-CB 3.37Å; S98-D127 PolarHBondContact O-N 2.87Å; S98-D127 PolarHBondContact OG-OD1 3.22Å; S98-S164 PolarHBondContact O-OG 3.39Å
99H97.6Very high96.9Very high7 Ų743.7 Ų43.73%0.03221%0.211CC..SBendtrans-152178.1179.4-157.9-76.8000108.9P73 F97 D127 D160 T163 S164 F194P73-H99 HydrophobicContact CG-CB 3.94Å; F97-H99 VanDerWaalsContact CB-O 3.32Å; F97-H99 WeakPolarHBondContact CB-O 3.24Å; F97-H99 PolarHBondContact O-N 2.96Å; H99-D127 HydrophobicContact CB-CB 4.21Å; H99-D160 PolarHBondContact CD2-O 3.26Å; H99-D160 PolarHBondContact NE2-O 3Å; H99-D160 VanDerWaalsContact NE2-O 3.16Å; H99-T163 PolarHBondContact NE2-OG1 2.85Å; H99-S164 PolarHBondContact CD2-OG 2.89Å; H99-F194 AromaticContact CE1-CE2 3.65Å; H99-F194 AromaticContact CE1-CZ 3.42Å; H99-F194 VanDerWaalsContact CE1-CZ 3.42Å; H99-F194 WeakPolarHBondContact CE1-CZ 3.35Å
100S94.9Very high97Very high27 Ų2746.1 Ų46.119%0.18923%0.234CC..PPolyproline II helixtrans-64.5137.2179.2-69.10000113.2P73 E123 F125P73-S100 WeakPolarHBondContact CG-O 3.37Å; S100-E123 WeakPolarHBondContact CA-OE1 3.43Å; S100-E123 PolarHBondContact OG-OE2 2.91Å; S100-E123 VanDerWaalsContact OG-OE2 3.13Å; S100-F125 VanDerWaalsContact OG-CE1 3.29Å; S100-F125 WeakPolarHBondContact OG-CE1 2.86Å
101I95.4Very high97Very high21 Ų2151.3 Ų51.311%0.10826%0.258CS..PPolyproline II helixtrans-98.7134.5176.2-173.4171000110.6P73 I78 F97 L105 L106 L109 E123P73-I101 HydrophobicContact CB-CB 4.13Å; P73-I101 HydrophobicContact CB-CG1 4.37Å; I78-I101 HydrophobicContact CD1-CD1 3.63Å; F97-I101 HydrophobicContact CD2-CB 4.23Å; F97-I101 HydrophobicContact CD2-CD1 4.1Å; F97-I101 HydrophobicContact CD2-CG2 4.19Å; F97-I101 HydrophobicContact CE1-CD1 4.26Å; F97-I101 HydrophobicContact CE2-CD1 3.64Å; F97-I101 HydrophobicContact CG-CB 4.48Å; F97-I101 HydrophobicContact CZ-CD1 3.75Å; I101-L105 HydrophobicContact CD1-CB 4.01Å; I101-L105 HydrophobicContact CG1-CB 3.79Å; I101-L106 HydrophobicContact CD1-CB 4.36Å; I101-L109 HydrophobicContact CD1-CD1 4.02Å; I101-E123 WeakPolarHBondContact CG2-OE1 3.32Å; I101-E123 PolarHBondContact N-OE1 3.13Å
102T94.4Very high97.1Very high80 Ų8046 Ų4649%0.49124%0.235SC..PPolyproline II helixtrans-70.9148.9176.870.10000111.6Q104 L105 L106T102-Q104 PolarHBondContact O-N 3.29Å; T102-Q104 VanDerWaalsContact O-N 3.11Å; T102-L105 PolarHBondContact O-N 3.36Å; T102-L105 WeakPolarHBondContact OG1-CG 3.43Å; T102-L105 PolarHBondContact OG1-N 3.13Å; T102-L106 PolarHBondContact O-N 3.1Å
103K95.2Very high97.1Very high193 Ų19346.9 Ų46.984%0.83924%0.239SC*.Hα-helixtrans-53.8-33.9176.3-65.7-176.9179.71800113.4K107K103-K107 WeakPolarHBondContact O-CB 3.42Å; K103-K107 PolarHBondContact O-N 3.16Å
104Q96.9Very high97Very high151 Ų15153.3 Ų53.371%0.70627%0.269SS*.Hα-helixtrans-66-45.7177.4-179-179.1-16.800111.8T102 K107 Q108T102-Q104 PolarHBondContact O-N 3.29Å; T102-Q104 VanDerWaalsContact O-N 3.11Å; Q104-K107 PolarHBondContact O-N 2.75Å; Q104-Q108 PolarHBondContact O-N 3.49Å; Q104-Q108 VanDerWaalsContact O-N 3.08Å
105L97.1Very high96.8Very high16 Ų1656.8 Ų56.88%0.08429%0.288CS..Hα-helixtrans-69.6-37.6178.8-65.9174.7000111.5K75 I78 I101 T102 K107 Q108 L109K75-L105 HydrophobicContact CG-CD2 4.24Å; I78-L105 HydrophobicContact CB-CD2 4.26Å; I78-L105 HydrophobicContact CD1-CB 4.38Å; I78-L105 HydrophobicContact CG1-CB 4.14Å; I78-L105 HydrophobicContact CG1-CD1 4.21Å; I78-L105 HydrophobicContact CG1-CD2 4.19Å; I78-L105 HydrophobicContact CG1-CG 4.4Å; I78-L105 HydrophobicContact CG2-CB 4.37Å; I78-L105 HydrophobicContact CG2-CD2 4.08Å; I101-L105 HydrophobicContact CD1-CB 4.01Å; I101-L105 HydrophobicContact CG1-CB 3.79Å; T102-L105 PolarHBondContact O-N 3.36Å; T102-L105 WeakPolarHBondContact OG1-CG 3.43Å; T102-L105 PolarHBondContact OG1-N 3.13Å; L105-K107 VanDerWaalsContact C-N 3.34Å; L105-Q108 WeakPolarHBondContact O-CB 3.39Å; L105-Q108 PolarHBondContact O-N 3.2Å; L105-L109 PolarHBondContact O-N 3.15Å; L105-L109 VanDerWaalsContact O-N 3.11Å
106L97.1Very high96.7Very high73 Ų7365.2 Ų65.238%0.38233%0.327SS..Hα-helixtrans-62.9-41.6174.6-173.963000111.7I101 T102 Q108 L109 A110 V121I101-L106 HydrophobicContact CD1-CB 4.36Å; T102-L106 PolarHBondContact O-N 3.1Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 3.3Å; L106-L109 PolarHBondContact O-N 2.97Å; L106-A110 PolarHBondContact O-N 2.87Å; L106-V121 HydrophobicContact CD1-CG1 4.15Å; L106-V121 HydrophobicContact CD1-CG2 4.49Å
107K97.5Very high96.6Very high131 Ų13167.1 Ų67.157%0.5734%0.338SS*.Hα-helixtrans-60.9-42.4174178.8175171.91780111.8K103 Q104 L105 L109 A110 E111K103-K107 WeakPolarHBondContact O-CB 3.42Å; K103-K107 PolarHBondContact O-N 3.16Å; Q104-K107 PolarHBondContact O-N 2.75Å; L105-K107 VanDerWaalsContact C-N 3.34Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.73Å; K107-A110 PolarHBondContact O-N 3.19Å; K107-E111 WeakPolarHBondContact CE-OE1 3.29Å; K107-E111 IonicContact NZ-OE1 3.42Å; K107-E111 WeakPolarHBondContact O-CG 3.45Å; K107-E111 PolarHBondContact O-N 3.47Å
108Q97.5Very high96.6Very high50 Ų5068.9 Ų68.923%0.23435%0.348CS..Hα-helixtrans-59.3-40.4176.3179.8-176.2-27.700112I78 N79 S82 Q104 L105 L106 A112I78-Q108 HydrophobicContact CG2-CB 4.45Å; I78-Q108 HydrophobicContact CG2-CG 4.28Å; N79-Q108 PolarHBondContact OD1-NE2 2.93Å; S82-Q108 PolarHBondContact OG-NE2 3.48Å; Q104-Q108 PolarHBondContact O-N 3.49Å; Q104-Q108 VanDerWaalsContact O-N 3.08Å; L105-Q108 WeakPolarHBondContact O-CB 3.39Å; L105-Q108 PolarHBondContact O-N 3.2Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 3.3Å; Q108-A112 PolarHBondContact O-N 3.15Å
109L97.1Very high96.5Very high6 Ų673 Ų733%0.03137%0.373CS..Hα-helixtrans-67.3-43175.7-69.1177.6000112.1I78 L81 L85 L95 F97 I101 L105 L106 K107 E111 A112 D113I78-L109 HydrophobicContact CD1-CD1 3.66Å; I78-L109 HydrophobicContact CD1-CD2 4.29Å; I78-L109 HydrophobicContact CD1-CG 4.07Å; I78-L109 HydrophobicContact CG2-CD2 3.96Å; I78-L109 HydrophobicContact CG2-CG 4.07Å; L81-L109 HydrophobicContact CB-CD2 4.01Å; L81-L109 HydrophobicContact CD2-CD1 4.05Å; L81-L109 HydrophobicContact CD2-CD2 3.76Å; L81-L109 HydrophobicContact CG-CD2 3.87Å; L85-L109 HydrophobicContact CD1-CD2 4.38Å; L95-L109 HydrophobicContact CD1-CD1 4.4Å; F97-L109 HydrophobicContact CE2-CD1 4.18Å; F97-L109 HydrophobicContact CZ-CD1 3.66Å; I101-L109 HydrophobicContact CD1-CD1 4.02Å; L105-L109 PolarHBondContact O-N 3.15Å; L105-L109 VanDerWaalsContact O-N 3.11Å; L106-L109 PolarHBondContact O-N 2.97Å; K107-L109 VanDerWaalsContact C-N 3.29Å; K107-L109 PolarHBondContact O-N 2.73Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.35Å; L109-A112 PolarHBondContact O-N 3.24Å; L109-D113 PolarHBondContact O-N 3.02Å; L109-D113 VanDerWaalsContact O-N 3.08Å
110A96.9Very high96.5Very high74 Ų7475.2 Ų75.261%0.61238%0.384SS*.Hα-helixtrans-61-36.3177.300000112.3L106 K107 A112L106-A110 PolarHBondContact O-N 2.87Å; K107-A110 PolarHBondContact O-N 3.19Å; A110-A112 VanDerWaalsContact C-N 3.29Å; A110-A112 PolarHBondContact O-N 2.88Å
111E97.5Very high96.6Very high115 Ų11576.9 Ų76.954%0.53739%0.393SS..Hα-helixtrans-72.3-20.1174.1-71.3173.6177.600113.4K107 L109K107-E111 WeakPolarHBondContact CE-OE1 3.29Å; K107-E111 IonicContact NZ-OE1 3.42Å; K107-E111 WeakPolarHBondContact O-CG 3.45Å; K107-E111 PolarHBondContact O-N 3.47Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.35Å
112A97.3Very high96.7Very high0 Ų079 Ų790%040%0.402CS..Hα-helixtrans-92.6-18.6-179.800000113.5L85 R86 Q108 L109 A110 E114L85-A112 CarbonylContact C-O 3.55Å; L85-A112 HydrophobicContact CB-CB 4.47Å; R86-A112 HydrophobicContact CG-CB 4.33Å; R86-A112 PolarHBondContact N-O 3.13Å; Q108-A112 PolarHBondContact O-N 3.15Å; L109-A112 PolarHBondContact O-N 3.24Å; A110-A112 VanDerWaalsContact C-N 3.29Å; A110-A112 PolarHBondContact O-N 2.88Å; A112-E114 PolarHBondContact O-N 2.65Å
113D97.4Very high96.8Very high27 Ų2778.4 Ų78.414%0.14439%0.394CS..  trans-81.858.9176.9-168.727.8000111.8L85 L109 N115 E116 L117 V118L85-D113 HydrophobicContact CD1-CB 4.32Å; L109-D113 PolarHBondContact O-N 3.02Å; L109-D113 VanDerWaalsContact O-N 3.08Å; D113-N115 PolarHBondContact O-N 3.34Å; D113-N115 VanDerWaalsContact O-N 3.14Å; D113-E116 PolarHBondContact O-N 2.84Å; D113-E116 PolarHBondContact OD1-N 3.46Å; D113-E116 WeakPolarHBondContact OD2-CA 3.47Å; D113-L117 PolarHBondContact OD1-N 3.33Å; D113-L117 PolarHBondContact OD2-N 3.42Å; D113-V118 HydrophobicContact CB-CG2 4.14Å; D113-V118 VanDerWaalsContact OD2-CB 3.28Å; D113-V118 WeakPolarHBondContact OD2-CB 3.25Å; D113-V118 WeakPolarHBondContact OD2-CG2 3.37Å; D113-V118 PolarHBondContact OD2-N 3.01Å
114E95.8Very high96.8Very high135 Ų13570.5 Ų70.563%0.63136%0.359SS*.THydrogen-bonded Turntrans-62.3-19.4-179.4-64.8174.6-160.500112.7A112A112-E114 PolarHBondContact O-N 2.65Å
115N94.5Very high96.8Very high85 Ų8564.4 Ų64.446%0.45533%0.33SS..THydrogen-bonded Turntrans-101.61.5-176.2-65.238.3000113.2D113 L117D113-N115 PolarHBondContact O-N 3.34Å; D113-N115 VanDerWaalsContact O-N 3.14Å; N115-L117 VanDerWaalsContact C-N 3.31Å; N115-L117 HydrophobicContact CB-CD1 3.88Å; N115-L117 HydrophobicContact CB-CD2 4.41Å; N115-L117 HydrophobicContact CB-CG 3.7Å; N115-L117 WeakPolarHBondContact O-CD2 3.49Å; N115-L117 PolarHBondContact O-N 2.7Å
116E96.1Very high96.9Very high177 Ų17763.6 Ų63.683%0.82733%0.326SS*.  trans53.741.9-179.1-56.7-177.5174.800113.6D113D113-E116 PolarHBondContact O-N 2.84Å; D113-E116 PolarHBondContact OD1-N 3.46Å; D113-E116 WeakPolarHBondContact OD2-CA 3.47Å
117L96.7Very high96.9Very high41 Ų4160.1 Ų60.122%0.21531%0.308CS..  trans-96.3-10-175.1-59.4-178000113.5P88 S92 Y93 D113 N115 V119P88-L117 HydrophobicContact CB-CD1 3.49Å; P88-L117 VanDerWaalsContact CB-CD1 3.49Å; P88-L117 HydrophobicContact CG-CD1 3.52Å; S92-L117 WeakPolarHBondContact CA-O 3.45Å; Y93-L117 HydrophobicContact CD2-CB 3.96Å; Y93-L117 HydrophobicContact CE2-CB 4.36Å; Y93-L117 HydrophobicContact CE2-CD1 4.32Å; Y93-L117 PolarHBondContact N-O 2.55Å; D113-L117 PolarHBondContact OD1-N 3.33Å; D113-L117 PolarHBondContact OD2-N 3.42Å; N115-L117 VanDerWaalsContact C-N 3.31Å; N115-L117 HydrophobicContact CB-CD1 3.88Å; N115-L117 HydrophobicContact CB-CD2 4.41Å; N115-L117 HydrophobicContact CB-CG 3.7Å; N115-L117 WeakPolarHBondContact O-CD2 3.49Å; N115-L117 PolarHBondContact O-N 2.7Å; L117-V119 PolarHBondContact O-N 3.38Å
118V97.9Very high97Very high37 Ų3753.9 Ų53.922%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-76.7113.2175.31780000109.7L85 Y93 L95 D113 V121L85-V118 HydrophobicContact CD1-CG2 3.77Å; L85-V118 HydrophobicContact CD2-CG2 3.67Å; L85-V118 HydrophobicContact CG-CG2 4.39Å; Y93-V118 WeakPolarHBondContact O-CA 3.47Å; L95-V118 HydrophobicContact CD1-CG1 3.74Å; L95-V118 HydrophobicContact CD1-CG2 3.91Å; L95-V118 HydrophobicContact CG-CG1 4.01Å; L95-V118 HydrophobicContact CG-CG2 4.49Å; D113-V118 HydrophobicContact CB-CG2 4.14Å; D113-V118 VanDerWaalsContact OD2-CB 3.28Å; D113-V118 WeakPolarHBondContact OD2-CB 3.25Å; D113-V118 WeakPolarHBondContact OD2-CG2 3.37Å; D113-V118 PolarHBondContact OD2-N 3.01Å; V118-V121 HydrophobicContact CG1-CG2 3.83Å
119V96.7Very high97Very high88 Ų8851.5 Ų51.553%0.53327%0.269SS..EExtended strand (participates in β ladder)trans-81.4-42.7-178.4-178.60000111.3Y93 L117Y93-V119 PolarHBondContact O-N 2.96Å; L117-V119 PolarHBondContact O-N 3.38Å
120E95.9Very high97.1Very high52 Ų5251.2 Ų51.224%0.24327%0.268CS..EExtended strand (participates in β ladder)trans-155.1157.8-179.169-173.314400112.1V17 H94 L95 Q122V17-E120 WeakPolarHBondContact CG1-OE1 3.25Å; H94-E120 HydrophobicContact CB-CG 4.15Å; H94-E120 IonicContact CE1-OE1 3.79Å; H94-E120 IonicContact CG-OE1 3.63Å; H94-E120 IonicContact ND1-OE1 2.84Å; H94-E120 PolarHBondContact ND1-OE1 3.47Å; L95-E120 PolarHBondContact N-O 3.45Å; E120-Q122 PolarHBondContact OE2-NE2 2.83Å
121V97.6Very high97.1Very high63 Ų6348.1 Ų48.138%0.38224%0.241SC..EExtended strand (participates in β ladder)trans-130.3122.5172.8-173.20000108.4L95 F97 L106 V118L95-V121 HydrophobicContact CB-CG1 4.42Å; L95-V121 HydrophobicContact CB-CG2 4.23Å; L95-V121 HydrophobicContact CD1-CG2 4.14Å; L95-V121 CarbonylContact O-C 3.58Å; L95-V121 VanDerWaalsContact O-CA 3.28Å; L95-V121 WeakPolarHBondContact O-CA 3.41Å; F97-V121 HydrophobicContact CD2-CG1 4Å; F97-V121 HydrophobicContact CE2-CG1 3.74Å; L106-V121 HydrophobicContact CD1-CG1 4.15Å; L106-V121 HydrophobicContact CD1-CG2 4.49Å; V118-V121 HydrophobicContact CG1-CG2 3.83Å
122Q97.1Very high97Very high64 Ų6443 Ų4330%0.29922%0.218SC..EExtended strand (participates in β ladder)trans-131.1152178.7-58.2-166.416.900111.8L95 F96 F97 E120 Y124L95-Q122 PolarHBondContact O-N 3Å; F96-Q122 CarbonylContact C-O 3.58Å; F96-Q122 WeakPolarHBondContact CA-O 3.14Å; F96-Q122 HydrophobicContact CD1-CB 3.75Å; F96-Q122 HydrophobicContact CD1-CG 4.41Å; F96-Q122 HydrophobicContact CE1-CB 3.79Å; F96-Q122 HydrophobicContact CE1-CG 3.95Å; F97-Q122 PolarHBondContact N-O 3.44Å; E120-Q122 PolarHBondContact OE2-NE2 2.83Å; Q122-Y124 HydrophobicContact CB-CD1 4.34Å; Q122-Y124 HydrophobicContact CB-CE1 4.06Å; Q122-Y124 PolarHBondContact OE1-OH 3.24Å
123E96Very high96.9Very high69 Ų6944.1 Ų44.132%0.32223%0.225SC..EExtended strand (participates in β ladder)trans-109.9113.1176.4-59.8-177.3159.300109.9S100 I101 F125S100-E123 WeakPolarHBondContact CA-OE1 3.43Å; S100-E123 PolarHBondContact OG-OE2 2.91Å; S100-E123 VanDerWaalsContact OG-OE2 3.13Å; I101-E123 WeakPolarHBondContact CG2-OE1 3.32Å; I101-E123 PolarHBondContact N-OE1 3.13Å; E123-F125 HydrophobicContact CB-CZ 4.48Å
124Y96.8Very high96.9Very high26 Ų2643.7 Ų43.710%0.10222%0.222CC..  trans-113.3105.1179-8119.1000108.9Y10 R13 M14 F96 F97 S98 Q122 A126Y10-Y124 HydrophobicContact CD1-CD1 4.46Å; Y10-Y124 AromaticContact CD1-CD2 3.96Å; Y10-Y124 HydrophobicContact CD1-CD2 3.96Å; Y10-Y124 HydrophobicContact CD1-CE2 4.35Å; Y10-Y124 HydrophobicContact CD1-CG 4.01Å; Y10-Y124 HydrophobicContact CG-CD2 4.04Å; Y10-Y124 HydrophobicContact CG-CG 4.23Å; Y10-Y124 WeakPolarHBondContact O-CE2 3.17Å; R13-Y124 HydrophobicContact CB-CE2 4.16Å; M14-Y124 HydrophobicContact CB-CD2 4.3Å; M14-Y124 HydrophobicContact CB-CE2 3.9Å; F96-Y124 HydrophobicContact CD1-CD1 4.27Å; F96-Y124 HydrophobicContact CD1-CD2 4.17Å; F96-Y124 HydrophobicContact CD1-CE1 4.12Å; F96-Y124 HydrophobicContact CD1-CE2 4.04Å; F96-Y124 HydrophobicContact CD1-CG 4.31Å; F96-Y124 AromaticContact CD1-CZ 3.99Å; F96-Y124 HydrophobicContact CE1-CE1 4.23Å; F96-Y124 HydrophobicContact CE1-CE2 4.19Å; F96-Y124 AromaticContact CE1-CZ 3.88Å; F97-Y124 PolarHBondContact O-N 3.24Å; S98-Y124 CarbonylContact C-O 3.52Å; S98-Y124 WeakPolarHBondContact CA-O 3.42Å; Q122-Y124 HydrophobicContact CB-CD1 4.34Å; Q122-Y124 HydrophobicContact CB-CE1 4.06Å; Q122-Y124 PolarHBondContact OE1-OH 3.24Å; Y124-A126 PolarHBondContact O-N 2.73Å
125F97.3Very high97Very high23 Ų2337.3 Ų37.310%0.10119%0.192CC..  trans-67.870-175.2-62.2-71.2000113.8S98 S100 E123 L167 I201S98-F125 CarbonylContact O-C 3.58Å; S98-F125 WeakPolarHBondContact O-CA 3.37Å; S100-F125 VanDerWaalsContact OG-CE1 3.29Å; S100-F125 WeakPolarHBondContact OG-CE1 2.86Å; E123-F125 HydrophobicContact CB-CZ 4.48Å; F125-L167 HydrophobicContact CB-CB 3.78Å; F125-L167 HydrophobicContact CB-CD1 4.42Å; F125-L167 HydrophobicContact CD1-CB 4.21Å; F125-L167 HydrophobicContact CD1-CD1 3.29Å; F125-L167 HydrophobicContact CD1-CG 4.37Å; F125-L167 HydrophobicContact CD2-CB 3.83Å; F125-L167 HydrophobicContact CD2-CD1 4Å; F125-L167 HydrophobicContact CD2-CG 4.44Å; F125-L167 HydrophobicContact CE1-CD1 3.37Å; F125-L167 HydrophobicContact CE2-CD1 4.07Å; F125-L167 HydrophobicContact CG-CB 3.66Å; F125-L167 HydrophobicContact CG-CD1 3.63Å; F125-L167 HydrophobicContact CG-CG 4.27Å; F125-L167 HydrophobicContact CZ-CD1 3.77Å; F125-I201 HydrophobicContact CE1-CD1 4.25Å; F125-I201 HydrophobicContact CZ-CD1 3.88Å
126A97.9Very high97.2Very high0 Ų033.3 Ų33.30%017%0.171CC..  trans-125.639.5-177.100000110.8V7 Y10 I34 F70 S98 Y124 F128V7-A126 HydrophobicContact CG1-CB 4.06Å; V7-A126 HydrophobicContact CG2-CB 4.12Å; Y10-A126 HydrophobicContact CD2-CB 4.1Å; I34-A126 WeakPolarHBondContact CD1-O 3.14Å; F70-A126 HydrophobicContact CZ-CB 4.05Å; S98-A126 PolarHBondContact O-N 2.87Å; Y124-A126 PolarHBondContact O-N 2.73Å; A126-F128 PolarHBondContact O-N 3.01Å; A126-F128 VanDerWaalsContact O-N 3.1Å
127D98.1Very high97.3Very high0 Ų025.5 Ų25.50%014%0.135CC..  trans-84.538-175.4-151.243.4000114.6R72 S98 H99 R157 G161 S164R72-D127 WeakPolarHBondContact CD-OD1 3.22Å; R72-D127 WeakPolarHBondContact CG-OD1 3.47Å; R72-D127 IonicContact CZ-OD1 3.19Å; R72-D127 IonicContact CZ-OD2 3.63Å; R72-D127 VanDerWaalsContact CZ-OD2 3.28Å; R72-D127 VanDerWaalsContact NE-CG 3.33Å; R72-D127 IonicContact NE-OD1 2.71Å; R72-D127 PolarHBondContact NE-OD1 2.78Å; R72-D127 IonicContact NE-OD2 2.68Å; R72-D127 PolarHBondContact NE-OD2 2.98Å; R72-D127 IonicContact NH2-OD1 2.81Å; R72-D127 IonicContact NH2-OD2 3.81Å; R72-D127 PolarHBondContact NH2-OD2 3.48Å; S98-D127 WeakPolarHBondContact CB-OD1 3.44Å; S98-D127 WeakPolarHBondContact O-CB 3.37Å; S98-D127 PolarHBondContact O-N 2.87Å; S98-D127 PolarHBondContact OG-OD1 3.22Å; H99-D127 HydrophobicContact CB-CB 4.21Å; D127-R157 VanDerWaalsContact O-CZ 3.26Å; D127-R157 PolarHBondContact O-NH1 3.43Å; D127-R157 PolarHBondContact O-NH2 3.28Å; D127-R157 IonicContact OD2-CZ 2.76Å; D127-R157 IonicContact OD2-NH1 3.21Å; D127-R157 PolarHBondContact OD2-NH1 3.08Å; D127-G161 WeakPolarHBondContact O-CA 3.36Å; D127-S164 VanDerWaalsContact CB-OG 3.26Å; D127-S164 WeakPolarHBondContact CB-OG 3.49Å; D127-S164 PolarHBondContact N-OG 3.47Å
128F98.5Very high97.3Very high0 Ų023.6 Ų23.60%013%0.125CC..SBendtrans-153.6159.7-178.358.8-87.4000109.5I3 V7 I34 A126 P130 F136 L138 V165 A168I3-F128 HydrophobicContact CB-CE2 4.11Å; I3-F128 HydrophobicContact CB-CZ 4.5Å; V7-F128 HydrophobicContact CG2-CE1 4.37Å; V7-F128 HydrophobicContact CG2-CE2 3.79Å; V7-F128 HydrophobicContact CG2-CZ 3.6Å; I34-F128 WeakPolarHBondContact CG1-O 3.32Å; A126-F128 PolarHBondContact O-N 3.01Å; A126-F128 VanDerWaalsContact O-N 3.1Å; F128-P130 HydrophobicContact CD2-CB 4.41Å; F128-P130 HydrophobicContact CE2-CB 4.07Å; F128-P130 VanDerWaalsContact O-CD 3.24Å; F128-P130 WeakPolarHBondContact O-CD 3.44Å; F128-F136 HydrophobicContact CB-CD2 4.22Å; F128-F136 HydrophobicContact CD2-CB 3.85Å; F128-F136 HydrophobicContact CD2-CD2 4.39Å; F128-F136 HydrophobicContact CD2-CG 4.25Å; F128-L138 HydrophobicContact CB-CD2 3.82Å; F128-V165 HydrophobicContact CB-CG2 4.19Å; F128-V165 HydrophobicContact CD1-CB 4.35Å; F128-V165 HydrophobicContact CD1-CG2 3.39Å; F128-V165 HydrophobicContact CD2-CG2 3.76Å; F128-V165 HydrophobicContact CE1-CB 4.19Å; F128-V165 HydrophobicContact CE1-CG2 3.58Å; F128-V165 HydrophobicContact CE2-CG2 3.91Å; F128-V165 HydrophobicContact CG-CG2 3.49Å; F128-V165 VanDerWaalsContact CG-CG2 3.49Å; F128-V165 HydrophobicContact CZ-CB 4.47Å; F128-V165 HydrophobicContact CZ-CG2 3.82Å; F128-A168 HydrophobicContact CE1-CB 4.2Å; F128-A168 HydrophobicContact CZ-CB 4.14Å
129I98.3Very high97.3Very high0 Ų024.2 Ų24.20%013%0.126CC..EExtended strand (participates in β ladder)trans-96.4107.4-179.7-56176.4000109.1K33 I34 V37 L131 F136 E137 D139K33-I129 HydrophobicContact CB-CD1 3.94Å; K33-I129 HydrophobicContact CB-CG1 4.48Å; K33-I129 HydrophobicContact CD-CD1 4.23Å; I34-I129 HydrophobicContact CG1-CG1 4.14Å; V37-I129 HydrophobicContact CB-CG2 4.34Å; V37-I129 HydrophobicContact CG1-CG2 4.45Å; V37-I129 HydrophobicContact CG2-CG2 3.81Å; I129-L131 HydrophobicContact CG2-CD2 3.8Å; I129-L131 HydrophobicContact CG2-CG 4.39Å; I129-L131 PolarHBondContact O-N 3.23Å; I129-F136 CarbonylContact O-C 3.57Å; I129-F136 WeakPolarHBondContact O-CA 3.33Å; I129-F136 VanDerWaalsContact O-CB 3.31Å; I129-F136 WeakPolarHBondContact O-CB 3.44Å; I129-E137 HydrophobicContact CB-CG 4.11Å; I129-E137 HydrophobicContact CD1-CG 4.47Å; I129-E137 PolarHBondContact N-O 3.24Å; I129-E137 PolarHBondContact O-N 3.11Å; I129-D139 HydrophobicContact CD1-CB 3.8Å
130P97.8Very high97.2Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-83.592.7178.534.2-35.4000110.5I3 Y4 V7 V37 V38 F128 S132I3-P130 HydrophobicContact CG1-CB 4.2Å; Y4-P130 HydrophobicContact CD2-CB 4.39Å; Y4-P130 HydrophobicContact CD2-CG 4.49Å; Y4-P130 VanDerWaalsContact CD2-O 3.24Å; Y4-P130 WeakPolarHBondContact CD2-O 3.48Å; V7-P130 HydrophobicContact CB-CG 3.92Å; V7-P130 HydrophobicContact CG1-CG 4.14Å; V7-P130 HydrophobicContact CG2-CB 4.42Å; V7-P130 HydrophobicContact CG2-CG 3.89Å; V37-P130 WeakPolarHBondContact CG1-O 3.4Å; V38-P130 HydrophobicContact CG2-CG 3.46Å; V38-P130 VanDerWaalsContact CG2-CG 3.46Å; F128-P130 HydrophobicContact CD2-CB 4.41Å; F128-P130 HydrophobicContact CE2-CB 4.07Å; F128-P130 VanDerWaalsContact O-CD 3.24Å; F128-P130 WeakPolarHBondContact O-CD 3.44Å; P130-S132 VanDerWaalsContact C-N 3.29Å; P130-S132 PolarHBondContact O-N 3.26Å
131L96.9Very high97Very high8 Ų821.4 Ų21.44%0.04211%0.113CC..EExtended strand (participates in β ladder)trans-67.7-31.2-179.6-61.7176.6000112.5V37 I129 L135 E137 V565V37-L131 HydrophobicContact CG2-CD2 4.49Å; I129-L131 HydrophobicContact CG2-CD2 3.8Å; I129-L131 HydrophobicContact CG2-CG 4.39Å; I129-L131 PolarHBondContact O-N 3.23Å; L131-L135 HydrophobicContact CB-CD2 4.15Å; L131-L135 HydrophobicContact CB-CG 4.18Å; L131-L135 HydrophobicContact CD1-CD2 3.98Å; L131-L135 HydrophobicContact CD1-CG 4.2Å; L131-L135 PolarHBondContact N-O 3.24Å; L131-E137 HydrophobicContact CD1-CG 4Å; L131-E137 HydrophobicContact CG-CG 4.32Å; L131-V565 HydrophobicContact CD1-CG2 3.78Å
132S95.5Very high96.8Very high9 Ų921.3 Ų21.36%0.06311%0.11CC..EExtended strand (participates in β ladder)trans-153.1176.4175.384.90000111.1I3 P130 F134 L135I3-S132 WeakPolarHBondContact CG1-O 3.18Å; P130-S132 VanDerWaalsContact C-N 3.29Å; P130-S132 PolarHBondContact O-N 3.26Å; S132-F134 PolarHBondContact O-N 2.97Å; S132-F134 PolarHBondContact OG-N 3.42Å; S132-L135 PolarHBondContact N-O 3.1Å; S132-L135 VanDerWaalsContact N-O 3.1Å; S132-L135 PolarHBondContact O-N 2.99Å; S132-L135 WeakPolarHBondContact OG-CB 3.48Å; S132-L135 PolarHBondContact OG-N 2.99Å; S132-L135 VanDerWaalsContact OG-N 3.14Å
133P96.2Very high96.4Very high23 Ų2318.3 Ų18.315%0.14910%0.096CC..THydrogen-bonded Turntrans-55.5-22.4176.2-30.138.3000115.5D2 I3D2-P133 WeakPolarHBondContact OD1-CB 3.49Å; I3-P133 WeakPolarHBondContact CG1-O 3.24Å; I3-P133 PolarHBondContact N-O 3.39Å
134F96.7Very high96.2Very high17 Ų1715.1 Ų15.18%0.0758%0.081CC..THydrogen-bonded Turntrans-129.77.2-175.653-100.3000113.7S132 R266 F277 V543 L546 H547 L560S132-F134 PolarHBondContact O-N 2.97Å; S132-F134 PolarHBondContact OG-N 3.42Å; F134-R266 VanDerWaalsContact CZ-NH1 3.31Å; F134-F277 AromaticContact CE2-CZ 3.95Å; F134-F277 HydrophobicContact CE2-CZ 3.95Å; F134-F277 AromaticContact CZ-CE2 3.94Å; F134-F277 HydrophobicContact CZ-CE2 3.94Å; F134-F277 AromaticContact CZ-CZ 3.73Å; F134-F277 HydrophobicContact CZ-CZ 3.73Å; F134-V543 HydrophobicContact CD2-CG1 4.33Å; F134-V543 HydrophobicContact CE2-CG1 3.73Å; F134-L546 HydrophobicContact CD2-CD2 4.27Å; F134-H547 AromaticContact CE1-ND1 3.97Å; F134-H547 AromaticContact CZ-ND1 3.86Å; F134-L560 PolarHBondContact O-N 3.45Å
135L98.1Very high95.8Very high2 Ų216.3 Ų16.31%0.019%0.089CC..EExtended strand (participates in β ladder)trans-130.4127.2178.3178.760.6000110.9L131 S132 V538 Y540 V543 L560 V565L131-L135 HydrophobicContact CB-CD2 4.15Å; L131-L135 HydrophobicContact CB-CG 4.18Å; L131-L135 HydrophobicContact CD1-CD2 3.98Å; L131-L135 HydrophobicContact CD1-CG 4.2Å; L131-L135 PolarHBondContact N-O 3.24Å; S132-L135 PolarHBondContact N-O 3.1Å; S132-L135 VanDerWaalsContact N-O 3.1Å; S132-L135 PolarHBondContact O-N 2.99Å; S132-L135 WeakPolarHBondContact OG-CB 3.48Å; S132-L135 PolarHBondContact OG-N 2.99Å; S132-L135 VanDerWaalsContact OG-N 3.14Å; L135-V538 HydrophobicContact CD1-CG2 4.11Å; L135-Y540 HydrophobicContact CD2-CD1 4.22Å; L135-Y540 HydrophobicContact CD2-CE1 3.66Å; L135-V543 HydrophobicContact CD1-CG2 3.74Å; L135-V543 HydrophobicContact CD2-CG1 4.22Å; L135-V543 HydrophobicContact CD2-CG2 3.78Å; L135-V543 HydrophobicContact CG-CG2 4.28Å; L135-L560 CarbonylContact C-O 3.57Å; L135-L560 VanDerWaalsContact CA-O 3.26Å; L135-L560 WeakPolarHBondContact CA-O 3.39Å; L135-L560 HydrophobicContact CD1-CB 4.49Å; L135-V565 HydrophobicContact CD2-CG2 4.4Å
136F98.5Very high95.1Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-133.5161.4167.967.1-80.3000113I3 F128 I129 L162 V165 I531 F533 V559 L560 G561 G562I3-F136 HydrophobicContact CD1-CB 3.63Å; I3-F136 HydrophobicContact CD1-CD1 3.61Å; I3-F136 HydrophobicContact CD1-CG 4.03Å; F128-F136 HydrophobicContact CB-CD2 4.22Å; F128-F136 HydrophobicContact CD2-CB 3.85Å; F128-F136 HydrophobicContact CD2-CD2 4.39Å; F128-F136 HydrophobicContact CD2-CG 4.25Å; I129-F136 CarbonylContact O-C 3.57Å; I129-F136 WeakPolarHBondContact O-CA 3.33Å; I129-F136 VanDerWaalsContact O-CB 3.31Å; I129-F136 WeakPolarHBondContact O-CB 3.44Å; F136-L162 HydrophobicContact CE2-CD2 4.19Å; F136-L162 HydrophobicContact CZ-CD2 3.84Å; F136-V165 HydrophobicContact CD1-CG2 4.29Å; F136-V165 HydrophobicContact CD2-CG2 3.89Å; F136-V165 HydrophobicContact CE1-CG1 4.18Å; F136-V165 HydrophobicContact CE1-CG2 4.15Å; F136-V165 HydrophobicContact CE2-CG2 3.75Å; F136-V165 HydrophobicContact CG-CG2 4.16Å; F136-V165 HydrophobicContact CZ-CG1 4.38Å; F136-V165 HydrophobicContact CZ-CG2 3.88Å; F136-I531 HydrophobicContact CE1-CG2 4.48Å; F136-F533 AromaticContact CE2-CD2 3.92Å; F136-F533 HydrophobicContact CE2-CD2 3.92Å; F136-F533 HydrophobicContact CE2-CE2 4.11Å; F136-F533 HydrophobicContact CZ-CD2 4.03Å; F136-V559 HydrophobicContact CD1-CG1 3.79Å; F136-V559 HydrophobicContact CE1-CG1 3.82Å; F136-L560 WeakPolarHBondContact CD1-O 3.29Å; F136-L560 PolarHBondContact N-O 2.88Å; F136-G561 WeakPolarHBondContact O-CA 3.35Å; F136-G562 PolarHBondContact O-N 2.96Å
137E98.1Very high94.4Very high14 Ų1424 Ų247%0.06514%0.135CC..EExtended strand (participates in β ladder)trans-139.4172170.768.6177.8175.500112I129 L131 G562 C564 V565I129-E137 HydrophobicContact CB-CG 4.11Å; I129-E137 HydrophobicContact CD1-CG 4.47Å; I129-E137 PolarHBondContact N-O 3.24Å; I129-E137 PolarHBondContact O-N 3.11Å; L131-E137 HydrophobicContact CD1-CG 4Å; L131-E137 HydrophobicContact CG-CG 4.32Å; E137-G562 WeakPolarHBondContact CA-O 3.33Å; E137-C564 WeakPolarHBondContact OE2-CA 3.36Å; E137-V565 PolarHBondContact OE2-N 3.12Å
138L98Very high93.7Very high1 Ų128.4 Ų28.41%0.00515%0.152CC..  trans-112.40.3177.4-54.4-175.6000113.8F128 I140 F533 G562 T563F128-L138 HydrophobicContact CB-CD2 3.82Å; L138-I140 HydrophobicContact CB-CD1 3.89Å; L138-I140 HydrophobicContact CB-CG1 3.99Å; L138-I140 HydrophobicContact CD1-CD1 4.31Å; L138-F533 HydrophobicContact CD1-CE2 3.84Å; L138-F533 HydrophobicContact CD1-CZ 3.64Å; L138-F533 HydrophobicContact CG-CE2 4.12Å; L138-F533 HydrophobicContact CG-CZ 4.31Å; L138-G562 PolarHBondContact N-O 3.4Å; L138-T563 CarbonylContact C-O 3.54Å; L138-T563 PolarHBondContact N-O 3.17Å
139D96.3Very high93.2Very high49 Ų4932.2 Ų32.226%0.26217%0.172SC..  trans55.546.8-176.7-16418.8000113.7K33 I129 P141 Q244 T563K33-D139 WeakPolarHBondContact CD-OD2 3.47Å; K33-D139 VanDerWaalsContact CE-OD2 3.22Å; K33-D139 WeakPolarHBondContact CE-OD2 3.41Å; K33-D139 IonicContact NZ-OD2 2.9Å; K33-D139 PolarHBondContact NZ-OD2 3.05Å; I129-D139 HydrophobicContact CD1-CB 3.8Å; D139-P141 WeakPolarHBondContact O-CD 3.26Å; D139-Q244 PolarHBondContact OD2-NE2 2.82Å; D139-T563 PolarHBondContact N-O 3.36Å; D139-T563 VanDerWaalsContact N-O 3.1Å
140I95.7Very high92.8Very high21 Ų2132.7 Ų32.711%0.10818%0.175CC..  trans-120.284.1177-47.4170.7000108.3L138 I142 V154 R157 T563L138-I140 HydrophobicContact CB-CD1 3.89Å; L138-I140 HydrophobicContact CB-CG1 3.99Å; L138-I140 HydrophobicContact CD1-CD1 4.31Å; I140-I142 PolarHBondContact O-N 2.78Å; I140-V154 HydrophobicContact CD1-CG1 4.09Å; I140-V154 HydrophobicContact CG2-CB 4.45Å; I140-V154 HydrophobicContact CG2-CG1 4.06Å; I140-V154 HydrophobicContact CG2-CG2 3.61Å; I140-R157 HydrophobicContact CD1-CB 3.92Å; I140-R157 HydrophobicContact CD1-CG 3.4Å; I140-R157 VanDerWaalsContact CD1-CG 3.4Å; I140-R157 HydrophobicContact CG1-CG 4.18Å; I140-T563 PolarHBondContact N-O 3.21Å; I140-T563 CarbonylContact O-C 3.52Å; I140-T563 WeakPolarHBondContact O-CB 3.39Å
141P91.7Very high92.5Very high61 Ų6136.3 Ų36.340%0.39619%0.19SC..SBendtrans-67.5-25-178.925.5-34000113.3D139D139-P141 WeakPolarHBondContact O-CD 3.26Å
142I92.5Very high92.3Very high61 Ų6141 Ų4131%0.31322%0.22SC..  trans-118.9102.1-178.5-55178.5000111.5I140 K151 E574 S577I140-I142 PolarHBondContact O-N 2.78Å; I142-K151 PolarHBondContact O-NZ 3.44Å; I142-E574 WeakPolarHBondContact CA-OE2 3.09Å; I142-E574 WeakPolarHBondContact CB-OE2 3.41Å; I142-E574 WeakPolarHBondContact CG2-OE2 3.15Å; I142-S577 WeakPolarHBondContact CG2-OG 3.38Å
143S90.6Very high92.2Very high0 Ų043.1 Ų43.10%024%0.243CC..  trans-94.7-37.7-168-550000112.7K151 T563 E574S143-K151 PolarHBondContact O-N 3.5Å; S143-T563 WeakPolarHBondContact OG-CB 3.32Å; S143-T563 WeakPolarHBondContact OG-CG2 3.46Å; S143-T563 PolarHBondContact OG-OG1 3.21Å; S143-E574 WeakPolarHBondContact CB-OE1 3.49Å; S143-E574 PolarHBondContact N-OE1 3.21Å; S143-E574 PolarHBondContact N-OE2 3.29Å
144L91Very high92.2Very high3 Ų342.5 Ų42.52%0.01624%0.239CC..BIsolated β-bridgetrans-101150.8-173.8-55.2-178.1000112.5D149 L150 K151 V183 Y429 E574 I578L144-D149 WeakPolarHBondContact CA-O 3.15Å; L144-L150 HydrophobicContact CD2-CD1 4.17Å; L144-K151 WeakPolarHBondContact O-CE 3.27Å; L144-V183 HydrophobicContact CD2-CG1 4.28Å; L144-Y429 HydrophobicContact CD1-CE2 4.04Å; L144-E574 PolarHBondContact N-OE1 3.46Å; L144-I578 HydrophobicContact CB-CD1 3.93Å; L144-I578 HydrophobicContact CB-CG1 4.19Å; L144-I578 HydrophobicContact CD1-CD1 4.11Å
145N87.4Confident92.2Very high50 Ų5043.2 Ų43.227%0.26724%0.243SC..  trans-86.9179.7169.268.620.8000111.1S147 R148 D149 K151N145-S147 PolarHBondContact O-N 3.42Å; N145-S147 VanDerWaalsContact OD1-C 3.3Å; N145-S147 VanDerWaalsContact OD1-CA 3.3Å; N145-S147 WeakPolarHBondContact OD1-CA 3.36Å; N145-S147 WeakPolarHBondContact OD1-CB 3.24Å; N145-S147 PolarHBondContact OD1-N 2.9Å; N145-R148 WeakPolarHBondContact O-CA 3.47Å; N145-R148 PolarHBondContact O-N 3.19Å; N145-R148 PolarHBondContact OD1-N 3.28Å; N145-R148 VanDerWaalsContact OD1-N 3.07Å; N145-D149 PolarHBondContact N-O 3.31Å; N145-D149 PolarHBondContact OD1-N 2.94Å; N145-D149 PolarHBondContact OD1-O 2.91Å; N145-K151 HydrophobicContact CB-CG 4Å
146E83.7Confident92.1Very high96 Ų9647.2 Ų47.245%0.44926%0.264SS..THydrogen-bonded Turntrans-63.2-28.7179.6-61.1-179.6-179.800113.4R148 I578 S581E146-R148 PolarHBondContact O-N 3.43Å; E146-I578 WeakPolarHBondContact CA-O 3.42Å; E146-I578 WeakPolarHBondContact CB-O 3.37Å; E146-S581 WeakPolarHBondContact OE2-CB 3.49Å; E146-S581 PolarHBondContact OE2-OG 3.35Å
147S83.8Confident92.1Very high88 Ų8848.1 Ų48.162%0.61527%0.268SS*.THydrogen-bonded Turntrans-77.34173.8-52.40000113.3N145 D149N145-S147 PolarHBondContact O-N 3.42Å; N145-S147 VanDerWaalsContact OD1-C 3.3Å; N145-S147 VanDerWaalsContact OD1-CA 3.3Å; N145-S147 WeakPolarHBondContact OD1-CA 3.36Å; N145-S147 WeakPolarHBondContact OD1-CB 3.24Å; N145-S147 PolarHBondContact OD1-N 2.9Å; S147-D149 PolarHBondContact O-N 2.68Å
148R82.6Confident92.1Very high94 Ų9447.5 Ų47.536%0.35527%0.265SS..SBendtrans64.215.8-178.4-47178.5-171.9174.78113.9N145 E146 R219 E428 I578N145-R148 WeakPolarHBondContact O-CA 3.47Å; N145-R148 PolarHBondContact O-N 3.19Å; N145-R148 PolarHBondContact OD1-N 3.28Å; N145-R148 VanDerWaalsContact OD1-N 3.07Å; E146-R148 PolarHBondContact O-N 3.43Å; R148-R219 PolarHBondContact O-NH1 2.92Å; R148-R219 VanDerWaalsContact O-NH1 3.14Å; R148-E428 IonicContact CZ-OE2 3.82Å; R148-E428 PolarHBondContact NH1-O 2.99Å; R148-E428 IonicContact NH2-OE2 3.29Å; R148-E428 PolarHBondContact NH2-OE2 3.11Å; R148-I578 HydrophobicContact CG-CG2 3.7Å
149D88.7Confident92.1Very high79 Ų7947.7 Ų47.742%0.42227%0.266SS..SBendtrans-87.4153.6171.2-61.7-46000109.9L144 N145 S147 K151L144-D149 WeakPolarHBondContact CA-O 3.15Å; N145-D149 PolarHBondContact N-O 3.31Å; N145-D149 PolarHBondContact OD1-N 2.94Å; N145-D149 PolarHBondContact OD1-O 2.91Å; S147-D149 PolarHBondContact O-N 2.68Å; D149-K151 PolarHBondContact O-N 2.83Å
150L89.2Confident92.2Very high10 Ų1047.6 Ų47.65%0.05227%0.265CS..BIsolated β-bridgetrans-65.5124.4172.9-165.661.3000108.9L144 T152 V154 L155 V183 I535L144-L150 HydrophobicContact CD2-CD1 4.17Å; L150-T152 PolarHBondContact O-N 3.22Å; L150-V154 HydrophobicContact CD1-CB 4.18Å; L150-V154 HydrophobicContact CD1-CG1 3.67Å; L150-V154 HydrophobicContact CG-CB 4.43Å; L150-V154 HydrophobicContact CG-CG1 4.32Å; L150-L155 HydrophobicContact CD2-CB 3.77Å; L150-L155 HydrophobicContact CD2-CD1 3.83Å; L150-L155 HydrophobicContact CD2-CG 4.38Å; L150-L155 HydrophobicContact CG-CB 4.2Å; L150-V183 HydrophobicContact CB-CB 4.03Å; L150-V183 HydrophobicContact CB-CG1 3.83Å; L150-I535 HydrophobicContact CD1-CG2 3.82Å
151K91.9Very high92.3Very high76 Ų7646.6 Ų46.633%0.3326%0.26SS..PPolyproline II helixtrans-56.4136174.7-67.2176.8-170.5171.50109I142 S143 L144 N145 D149 G153 V154 L155I142-K151 PolarHBondContact O-NZ 3.44Å; S143-K151 PolarHBondContact O-N 3.5Å; L144-K151 WeakPolarHBondContact O-CE 3.27Å; N145-K151 HydrophobicContact CB-CG 4Å; D149-K151 PolarHBondContact O-N 2.83Å; K151-G153 PolarHBondContact O-N 2.65Å; K151-V154 HydrophobicContact CB-CB 4.11Å; K151-V154 HydrophobicContact CB-CG2 3.75Å; K151-V154 HydrophobicContact CD-CG2 4.21Å; K151-V154 HydrophobicContact CG-CG2 4.49Å; K151-V154 WeakPolarHBondContact O-CA 3.46Å; K151-V154 WeakPolarHBondContact O-CB 3.36Å; K151-V154 PolarHBondContact O-N 3.41Å; K151-L155 PolarHBondContact O-N 2.81Å
152T92.5Very high92.6Very high107 Ų10743.7 Ų43.766%0.65624%0.241SC*.Hα-helixtrans-55.4-40.5-178.3-470000112.6L150 V154 L155 N156L150-T152 PolarHBondContact O-N 3.22Å; T152-V154 VanDerWaalsContact C-N 3.29Å; T152-V154 PolarHBondContact O-N 3.47Å; T152-L155 PolarHBondContact O-N 3.45Å; T152-N156 PolarHBondContact O-N 3.37Å; T152-N156 VanDerWaalsContact O-N 3.1Å; T152-N156 PolarHBondContact O-ND2 3.08Å
153G93.6Very high92.9Very high53 Ų5340.8 Ų40.855%0.54623%0.227SC..Hα-helixtrans-62.3-34.8174.900000113.3K151 R157K151-G153 PolarHBondContact O-N 2.65Å; G153-R157 WeakPolarHBondContact O-CB 3.49Å; G153-R157 PolarHBondContact O-N 2.97Å
154V95.7Very high93.2Very high11 Ų1140.8 Ų40.87%0.06723%0.227CC..Hα-helixtrans-74.3-40.2178.4178.60000111I140 L150 K151 T152 R157 S158 T563I140-V154 HydrophobicContact CD1-CG1 4.09Å; I140-V154 HydrophobicContact CG2-CB 4.45Å; I140-V154 HydrophobicContact CG2-CG1 4.06Å; I140-V154 HydrophobicContact CG2-CG2 3.61Å; L150-V154 HydrophobicContact CD1-CB 4.18Å; L150-V154 HydrophobicContact CD1-CG1 3.67Å; L150-V154 HydrophobicContact CG-CB 4.43Å; L150-V154 HydrophobicContact CG-CG1 4.32Å; K151-V154 HydrophobicContact CB-CB 4.11Å; K151-V154 HydrophobicContact CB-CG2 3.75Å; K151-V154 HydrophobicContact CD-CG2 4.21Å; K151-V154 HydrophobicContact CG-CG2 4.49Å; K151-V154 WeakPolarHBondContact O-CA 3.46Å; K151-V154 WeakPolarHBondContact O-CB 3.36Å; K151-V154 PolarHBondContact O-N 3.41Å; T152-V154 VanDerWaalsContact C-N 3.29Å; T152-V154 PolarHBondContact O-N 3.47Å; V154-R157 PolarHBondContact O-N 3.49Å; V154-S158 WeakPolarHBondContact O-CB 3.5Å; V154-S158 PolarHBondContact O-N 2.71Å; V154-S158 PolarHBondContact O-OG 3.31Å; V154-T563 HydrophobicContact CG1-CG2 4.39Å
155L97.5Very high93.6Very high32 Ų3240.6 Ų40.617%0.16823%0.226CC..Hα-helixtrans-57.9-50173.4176.362.4000111.3L150 K151 T152 S158 T159 L187L150-L155 HydrophobicContact CD2-CB 3.77Å; L150-L155 HydrophobicContact CD2-CD1 3.83Å; L150-L155 HydrophobicContact CD2-CG 4.38Å; L150-L155 HydrophobicContact CG-CB 4.2Å; K151-L155 PolarHBondContact O-N 2.81Å; T152-L155 PolarHBondContact O-N 3.45Å; L155-S158 PolarHBondContact O-N 3.22Å; L155-T159 WeakPolarHBondContact O-CB 3.38Å; L155-T159 PolarHBondContact O-N 2.91Å; L155-T159 PolarHBondContact O-OG1 3.07Å; L155-L187 HydrophobicContact CD1-CB 4.16Å; L155-L187 HydrophobicContact CD1-CD1 4.04Å
156N96.3Very high94Very high85 Ų8538.2 Ų38.246%0.45521%0.213SC..Hα-helixtrans-63.1-50.8179.2-67.4-16.6000110.8T152 S158 T159 D160T152-N156 PolarHBondContact O-N 3.37Å; T152-N156 VanDerWaalsContact O-N 3.1Å; T152-N156 PolarHBondContact O-ND2 3.08Å; N156-S158 VanDerWaalsContact C-N 3.28Å; N156-S158 PolarHBondContact O-N 2.87Å; N156-T159 WeakPolarHBondContact O-CB 3.42Å; N156-T159 PolarHBondContact O-N 3.04Å; N156-T159 VanDerWaalsContact O-N 3.11Å; N156-D160 VanDerWaalsContact O-CG 3.31Å; N156-D160 PolarHBondContact O-N 2.79Å
157R97.1Very high94.6Very high20 Ų2033.9 Ų33.98%0.07519%0.193CC..Hα-helixtrans-58.4-39.4178.8178.465.6-171.196.1-8.5112.8E30 R72 D127 I140 G153 V154 G161E30-R157 IonicContact OE2-NE 2.92Å; E30-R157 IonicContact OE2-NH2 3.77Å; R72-R157 VanDerWaalsContact CZ-CD 3.47Å; R72-R157 VanDerWaalsContact NH2-CD 3.3Å; D127-R157 VanDerWaalsContact O-CZ 3.26Å; D127-R157 PolarHBondContact O-NH1 3.43Å; D127-R157 PolarHBondContact O-NH2 3.28Å; D127-R157 IonicContact OD2-CZ 2.76Å; D127-R157 IonicContact OD2-NH1 3.21Å; D127-R157 PolarHBondContact OD2-NH1 3.08Å; I140-R157 HydrophobicContact CD1-CB 3.92Å; I140-R157 HydrophobicContact CD1-CG 3.4Å; I140-R157 VanDerWaalsContact CD1-CG 3.4Å; I140-R157 HydrophobicContact CG1-CG 4.18Å; G153-R157 WeakPolarHBondContact O-CB 3.49Å; G153-R157 PolarHBondContact O-N 2.97Å; V154-R157 PolarHBondContact O-N 3.49Å; R157-G161 PolarHBondContact O-N 3.19Å
158S98.2Very high95.3Very high0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-70.8-37.1178.1-56.90000112V154 L155 N156 L162V154-S158 WeakPolarHBondContact O-CB 3.5Å; V154-S158 PolarHBondContact O-N 2.71Å; V154-S158 PolarHBondContact O-OG 3.31Å; L155-S158 PolarHBondContact O-N 3.22Å; N156-S158 VanDerWaalsContact C-N 3.28Å; N156-S158 PolarHBondContact O-N 2.87Å; S158-L162 VanDerWaalsContact O-CB 3.32Å; S158-L162 WeakPolarHBondContact O-CB 3.34Å; S158-L162 WeakPolarHBondContact O-CG 3.26Å; S158-L162 PolarHBondContact O-N 2.74Å
159T98.1Very high95.9Very high6 Ų626.7 Ų26.74%0.03716%0.156CC..Hα-helixtrans-62.1-48.7172.7-55.80000110.4L155 N156 T163 S190 I191 F194L155-T159 WeakPolarHBondContact O-CB 3.38Å; L155-T159 PolarHBondContact O-N 2.91Å; L155-T159 PolarHBondContact O-OG1 3.07Å; N156-T159 WeakPolarHBondContact O-CB 3.42Å; N156-T159 PolarHBondContact O-N 3.04Å; N156-T159 VanDerWaalsContact O-N 3.11Å; T159-T163 HydrophobicContact CG2-CG2 4.41Å; T159-T163 WeakPolarHBondContact O-CB 3.34Å; T159-T163 VanDerWaalsContact O-CG2 3.26Å; T159-T163 WeakPolarHBondContact O-CG2 3.43Å; T159-T163 PolarHBondContact O-N 3Å; T159-T163 PolarHBondContact O-OG1 2.83Å; T159-S190 WeakPolarHBondContact CG2-OG 3.18Å; T159-S190 WeakPolarHBondContact OG1-CB 3.42Å; T159-S190 PolarHBondContact OG1-OG 3.25Å; T159-I191 HydrophobicContact CG2-CG1 4.25Å; T159-F194 HydrophobicContact CG2-CB 4.33Å
160D97.9Very high96.2Very high46 Ų4629.6 Ų29.625%0.24617%0.165CC..Hα-helixtrans-62.1-47.8179.2-61.7-18.5000111.2R72 H99 N156 L162 T163 S164R72-D160 IonicContact NH2-OD2 3.46Å; H99-D160 PolarHBondContact CD2-O 3.26Å; H99-D160 PolarHBondContact NE2-O 3Å; H99-D160 VanDerWaalsContact NE2-O 3.16Å; N156-D160 VanDerWaalsContact O-CG 3.31Å; N156-D160 PolarHBondContact O-N 2.79Å; D160-L162 PolarHBondContact O-N 3.38Å; D160-T163 PolarHBondContact O-OG1 2.95Å; D160-T163 VanDerWaalsContact O-OG1 3.05Å; D160-S164 WeakPolarHBondContact O-CB 3.49Å; D160-S164 PolarHBondContact O-N 3.12Å; D160-S164 PolarHBondContact O-OG 3.4Å
161G98.4Very high96.3Very high0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-61.2-47.9179.800000112.8D127 R157 S164 V165D127-G161 WeakPolarHBondContact O-CA 3.36Å; R157-G161 PolarHBondContact O-N 3.19Å; G161-S164 WeakPolarHBondContact O-CB 3.47Å; G161-S164 PolarHBondContact O-N 3.11Å; G161-V165 WeakPolarHBondContact O-CG2 3.17Å; G161-V165 PolarHBondContact O-N 3.25Å
162L98.2Very high96.3Very high0 Ų027.7 Ų27.70%016%0.158CC..Hα-helixtrans-68-43.5-180-79.4168.5000112.6F136 S158 D160 S164 V165 L166 L187 I191 L213 F533F136-L162 HydrophobicContact CE2-CD2 4.19Å; F136-L162 HydrophobicContact CZ-CD2 3.84Å; S158-L162 VanDerWaalsContact O-CB 3.32Å; S158-L162 WeakPolarHBondContact O-CB 3.34Å; S158-L162 WeakPolarHBondContact O-CG 3.26Å; S158-L162 PolarHBondContact O-N 2.74Å; D160-L162 PolarHBondContact O-N 3.38Å; L162-S164 VanDerWaalsContact C-N 3.26Å; L162-S164 PolarHBondContact O-N 3.25Å; L162-V165 WeakPolarHBondContact O-CB 2.95Å; L162-V165 PolarHBondContact O-N 2.91Å; L162-V165 VanDerWaalsContact O-N 3.13Å; L162-L166 VanDerWaalsContact O-CG 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.17Å; L162-L166 PolarHBondContact O-N 3.23Å; L162-L187 HydrophobicContact CD1-CD2 3.98Å; L162-L187 HydrophobicContact CD1-CG 4.39Å; L162-I191 HydrophobicContact CB-CD1 3.97Å; L162-I191 HydrophobicContact CD1-CD1 3.45Å; L162-I191 VanDerWaalsContact CD1-CD1 3.45Å; L162-I191 HydrophobicContact CG-CD1 4.36Å; L162-L213 HydrophobicContact CD2-CD1 4.22Å; L162-F533 HydrophobicContact CD1-CB 3.98Å; L162-F533 HydrophobicContact CD1-CD1 3.72Å; L162-F533 HydrophobicContact CD1-CD2 4.03Å; L162-F533 HydrophobicContact CD1-CE1 4.17Å; L162-F533 HydrophobicContact CD1-CE2 4.44Å; L162-F533 HydrophobicContact CD1-CG 3.63Å; L162-F533 HydrophobicContact CD1-CZ 4.5Å; L162-F533 HydrophobicContact CD2-CB 3.81Å; L162-F533 HydrophobicContact CD2-CD2 3.64Å; L162-F533 HydrophobicContact CD2-CE2 4.39Å; L162-F533 HydrophobicContact CD2-CG 3.81Å; L162-F533 HydrophobicContact CG-CB 4.45Å; L162-F533 HydrophobicContact CG-CD2 3.96Å; L162-F533 HydrophobicContact CG-CE2 4.3Å; L162-F533 HydrophobicContact CG-CG 4.06Å
163T97.7Very high96.3Very high0 Ų022.6 Ų22.60%013%0.127CC..Hα-helixtrans-62.9-36.6176.352.30000111.2H99 T159 D160 L166 L167 I191 F194H99-T163 PolarHBondContact NE2-OG1 2.85Å; T159-T163 HydrophobicContact CG2-CG2 4.41Å; T159-T163 WeakPolarHBondContact O-CB 3.34Å; T159-T163 VanDerWaalsContact O-CG2 3.26Å; T159-T163 WeakPolarHBondContact O-CG2 3.43Å; T159-T163 PolarHBondContact O-N 3Å; T159-T163 PolarHBondContact O-OG1 2.83Å; D160-T163 PolarHBondContact O-OG1 2.95Å; D160-T163 VanDerWaalsContact O-OG1 3.05Å; T163-L166 PolarHBondContact O-N 3.41Å; T163-L167 WeakPolarHBondContact O-CB 3.46Å; T163-L167 WeakPolarHBondContact O-CD1 3.43Å; T163-L167 VanDerWaalsContact O-CG 3.23Å; T163-L167 WeakPolarHBondContact O-CG 3.47Å; T163-L167 PolarHBondContact O-N 2.92Å; T163-I191 HydrophobicContact CG2-CG2 4.17Å; T163-F194 HydrophobicContact CG2-CB 4.08Å; T163-F194 HydrophobicContact CG2-CD1 3.47Å; T163-F194 VanDerWaalsContact CG2-CD1 3.47Å; T163-F194 HydrophobicContact CG2-CE1 4.08Å; T163-F194 HydrophobicContact CG2-CG 3.8Å
164S98.2Very high96.2Very high0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-60-45.7169.6-88.60000113.1S98 H99 D127 D160 G161 L162 L166 L167 A168S98-S164 PolarHBondContact O-OG 3.39Å; H99-S164 PolarHBondContact CD2-OG 2.89Å; D127-S164 VanDerWaalsContact CB-OG 3.26Å; D127-S164 WeakPolarHBondContact CB-OG 3.49Å; D127-S164 PolarHBondContact N-OG 3.47Å; D160-S164 WeakPolarHBondContact O-CB 3.49Å; D160-S164 PolarHBondContact O-N 3.12Å; D160-S164 PolarHBondContact O-OG 3.4Å; G161-S164 WeakPolarHBondContact O-CB 3.47Å; G161-S164 PolarHBondContact O-N 3.11Å; L162-S164 VanDerWaalsContact C-N 3.26Å; L162-S164 PolarHBondContact O-N 3.25Å; S164-L166 VanDerWaalsContact C-N 3.32Å; S164-L166 PolarHBondContact O-N 2.88Å; S164-L167 PolarHBondContact O-N 3.5Å; S164-A168 VanDerWaalsContact O-CB 3.25Å; S164-A168 WeakPolarHBondContact O-CB 3.28Å; S164-A168 PolarHBondContact O-N 3.18Å
165V98.5Very high96.2Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-58.1-45.9175.4171.60000111I3 F128 F136 G161 L162 L167 A168 L169 I531I3-V165 HydrophobicContact CG2-CG1 4.24Å; F128-V165 HydrophobicContact CB-CG2 4.19Å; F128-V165 HydrophobicContact CD1-CB 4.35Å; F128-V165 HydrophobicContact CD1-CG2 3.39Å; F128-V165 HydrophobicContact CD2-CG2 3.76Å; F128-V165 HydrophobicContact CE1-CB 4.19Å; F128-V165 HydrophobicContact CE1-CG2 3.58Å; F128-V165 HydrophobicContact CE2-CG2 3.91Å; F128-V165 HydrophobicContact CG-CG2 3.49Å; F128-V165 VanDerWaalsContact CG-CG2 3.49Å; F128-V165 HydrophobicContact CZ-CB 4.47Å; F128-V165 HydrophobicContact CZ-CG2 3.82Å; F136-V165 HydrophobicContact CD1-CG2 4.29Å; F136-V165 HydrophobicContact CD2-CG2 3.89Å; F136-V165 HydrophobicContact CE1-CG1 4.18Å; F136-V165 HydrophobicContact CE1-CG2 4.15Å; F136-V165 HydrophobicContact CE2-CG2 3.75Å; F136-V165 HydrophobicContact CG-CG2 4.16Å; F136-V165 HydrophobicContact CZ-CG1 4.38Å; F136-V165 HydrophobicContact CZ-CG2 3.88Å; G161-V165 WeakPolarHBondContact O-CG2 3.17Å; G161-V165 PolarHBondContact O-N 3.25Å; L162-V165 WeakPolarHBondContact O-CB 2.95Å; L162-V165 PolarHBondContact O-N 2.91Å; L162-V165 VanDerWaalsContact O-N 3.13Å; V165-L167 PolarHBondContact O-N 2.86Å; V165-A168 PolarHBondContact O-N 2.77Å; V165-L169 HydrophobicContact CG1-CD1 3.98Å; V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 WeakPolarHBondContact O-CG 3.47Å; V165-L169 PolarHBondContact O-N 2.72Å; V165-I531 HydrophobicContact CG1-CG2 4.46Å
166L96.9Very high96.1Very high0 Ų018.5 Ų18.50%09%0.092CC..Hα-helixtrans-61.6-45.1179.5-64.7-178.6000111.8L162 T163 S164 L169 K170 K171 P173 I191 I195 F202 L213 I531L162-L166 VanDerWaalsContact O-CG 3.31Å; L162-L166 WeakPolarHBondContact O-CG 3.17Å; L162-L166 PolarHBondContact O-N 3.23Å; T163-L166 PolarHBondContact O-N 3.41Å; S164-L166 VanDerWaalsContact C-N 3.32Å; S164-L166 PolarHBondContact O-N 2.88Å; L166-L169 CarbonylContact O-C 3.52Å; L166-L169 PolarHBondContact O-N 2.77Å; L166-K170 PolarHBondContact O-N 3.23Å; L166-K171 PolarHBondContact O-N 2.81Å; L166-P173 HydrophobicContact CD1-CG 3.79Å; L166-P173 HydrophobicContact CD2-CG 3.67Å; L166-P173 HydrophobicContact CG-CG 4.37Å; L166-I191 HydrophobicContact CD1-CG2 4.31Å; L166-I195 HydrophobicContact CD1-CD1 4.08Å; L166-F202 HydrophobicContact CB-CE1 3.88Å; L166-F202 HydrophobicContact CB-CZ 4.42Å; L166-F202 HydrophobicContact CD1-CE1 4.41Å; L166-L213 HydrophobicContact CD1-CD2 4.42Å; L166-I531 HydrophobicContact CD2-CD1 3.52Å
167L96.5Very high96.1Very high5 Ų515.3 Ų15.33%0.0267%0.073CC..Hα-helixtrans-68.6-41.8178.9-68.5166.9000111.8F125 T163 S164 V165 L169 K170 I201 F202 F204F125-L167 HydrophobicContact CB-CB 3.78Å; F125-L167 HydrophobicContact CB-CD1 4.42Å; F125-L167 HydrophobicContact CD1-CB 4.21Å; F125-L167 HydrophobicContact CD1-CD1 3.29Å; F125-L167 HydrophobicContact CD1-CG 4.37Å; F125-L167 HydrophobicContact CD2-CB 3.83Å; F125-L167 HydrophobicContact CD2-CD1 4Å; F125-L167 HydrophobicContact CD2-CG 4.44Å; F125-L167 HydrophobicContact CE1-CD1 3.37Å; F125-L167 HydrophobicContact CE2-CD1 4.07Å; F125-L167 HydrophobicContact CG-CB 3.66Å; F125-L167 HydrophobicContact CG-CD1 3.63Å; F125-L167 HydrophobicContact CG-CG 4.27Å; F125-L167 HydrophobicContact CZ-CD1 3.77Å; T163-L167 WeakPolarHBondContact O-CB 3.46Å; T163-L167 WeakPolarHBondContact O-CD1 3.43Å; T163-L167 VanDerWaalsContact O-CG 3.23Å; T163-L167 WeakPolarHBondContact O-CG 3.47Å; T163-L167 PolarHBondContact O-N 2.92Å; S164-L167 PolarHBondContact O-N 3.5Å; V165-L167 PolarHBondContact O-N 2.86Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.85Å; L167-K170 PolarHBondContact O-N 3.33Å; L167-I201 HydrophobicContact CD1-CD1 3.84Å; L167-I201 HydrophobicContact CD2-CB 4.23Å; L167-I201 HydrophobicContact CD2-CD1 4.21Å; L167-I201 HydrophobicContact CD2-CG1 4.07Å; L167-I201 VanDerWaalsContact CD2-O 3.24Å; L167-I201 WeakPolarHBondContact CD2-O 3.16Å; L167-F202 HydrophobicContact CD1-CE2 4.15Å; L167-F202 HydrophobicContact CD1-CZ 3.99Å; L167-F202 HydrophobicContact CD2-CD1 3.86Å; L167-F202 HydrophobicContact CD2-CD2 3.96Å; L167-F202 HydrophobicContact CD2-CE1 3.63Å; L167-F202 HydrophobicContact CD2-CE2 3.75Å; L167-F202 HydrophobicContact CD2-CG 4.01Å; L167-F202 HydrophobicContact CD2-CZ 3.57Å; L167-F202 HydrophobicContact CG-CE1 3.85Å; L167-F202 HydrophobicContact CG-CE2 4.05Å; L167-F202 HydrophobicContact CG-CZ 3.55Å; L167-F204 HydrophobicContact CD2-CE2 4.11Å; L167-F204 HydrophobicContact CD2-CZ 3.72Å
168A97Very high96Very high10 Ų1014.3 Ų14.38%0.0837%0.07CC..Hα-helixtrans-59-40.4174.800000112.4A6 Y10 F128 S164 V165 K170A6-A168 HydrophobicContact CB-CB 4.1Å; Y10-A168 HydrophobicContact CE2-CB 4Å; F128-A168 HydrophobicContact CE1-CB 4.2Å; F128-A168 HydrophobicContact CZ-CB 4.14Å; S164-A168 VanDerWaalsContact O-CB 3.25Å; S164-A168 WeakPolarHBondContact O-CB 3.28Å; S164-A168 PolarHBondContact O-N 3.18Å; V165-A168 PolarHBondContact O-N 2.77Å; A168-K170 VanDerWaalsContact C-N 3.3Å
169L96Very high95.7Very high21 Ų2118.1 Ų18.111%0.119%0.09CC..THydrogen-bonded Turntrans-82.5-6.6175.8-67.4177.9000113.6M1 I3 V165 L166 L167 K171 I531M1-L169 HydrophobicContact CB-CD1 4.21Å; M1-L169 HydrophobicContact CB-CD2 4.02Å; M1-L169 HydrophobicContact CG-CD1 4.46Å; M1-L169 HydrophobicContact SD-CD1 4.28Å; I3-L169 HydrophobicContact CG2-CD1 3.65Å; I3-L169 HydrophobicContact CG2-CD2 3.7Å; I3-L169 HydrophobicContact CG2-CG 3.8Å; V165-L169 HydrophobicContact CG1-CD1 3.98Å; V165-L169 WeakPolarHBondContact O-CB 3.48Å; V165-L169 WeakPolarHBondContact O-CG 3.47Å; V165-L169 PolarHBondContact O-N 2.72Å; L166-L169 CarbonylContact O-C 3.52Å; L166-L169 PolarHBondContact O-N 2.77Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.85Å; L169-K171 HydrophobicContact CB-CG 3.75Å; L169-K171 WeakPolarHBondContact O-CE 3.45Å; L169-K171 WeakPolarHBondContact O-CG 3.38Å; L169-I531 HydrophobicContact CD1-CD1 3.86Å; L169-I531 HydrophobicContact CD1-CG1 4.41Å
170K94.5Very high95.3Very high139 Ų13920.1 Ų20.160%0.60411%0.107SC*.THydrogen-bonded Turntrans55.148.2-173.9-55.4-177.9179.6-174.50112.6L166 L167 A168 F204L166-K170 PolarHBondContact O-N 3.23Å; L167-K170 PolarHBondContact O-N 3.33Å; A168-K170 VanDerWaalsContact C-N 3.3Å; K170-F204 VanDerWaalsContact C-CD2 3.43Å; K170-F204 HydrophobicContact CB-CD1 3.92Å; K170-F204 HydrophobicContact CB-CD2 4.5Å; K170-F204 HydrophobicContact CB-CE1 3.96Å; K170-F204 HydrophobicContact CB-CG 4.19Å; K170-F204 HydrophobicContact CB-CZ 4.26Å; K170-F204 HydrophobicContact CG-CD1 4.42Å; K170-F204 HydrophobicContact CG-CE1 4.12Å
171K92.2Very high95.1Very high26 Ų2618 Ų1811%0.11310%0.096CC..  trans-119136.3-177-57.8-58.2174.7173.10111.2L166 L169 S207 P211 E529L166-K171 PolarHBondContact O-N 2.81Å; L169-K171 HydrophobicContact CB-CG 3.75Å; L169-K171 WeakPolarHBondContact O-CE 3.45Å; L169-K171 WeakPolarHBondContact O-CG 3.38Å; K171-S207 PolarHBondContact NZ-OG 3.4Å; K171-P211 HydrophobicContact CB-CG 4.28Å; K171-P211 HydrophobicContact CD-CG 3.86Å; K171-P211 HydrophobicContact CG-CG 4.42Å; K171-E529 VanDerWaalsContact CE-OE1 3.28Å; K171-E529 WeakPolarHBondContact CE-OE1 3.21Å; K171-E529 WeakPolarHBondContact CE-OE2 3.33Å; K171-E529 IonicContact NZ-OE1 3.8Å; K171-E529 PolarHBondContact NZ-OE1 2.69Å; K171-E529 IonicContact NZ-OE2 2.98Å; K171-E529 PolarHBondContact NZ-OE2 3.03Å
172C91.4Very high94.8Very high21 Ų2121.8 Ų21.814%0.14211%0.114CC..  trans-115.5100.4165-169.40000108.1F202 T514 T516C172-F202 HydrophobicContact CB-CD1 4.44Å; C172-T514 PolarHBondContact SG-OG1 2.95Å; C172-T516 PolarHBondContact SG-OG1 3.32Å
173P92.3Very high94.6Very high0 Ų022 Ų220%012%0.115CC..PPolyproline II helixtrans-89.1163.6-171.236.3-36.8000112.3L166 P211 L213 T514L166-P173 HydrophobicContact CD1-CG 3.79Å; L166-P173 HydrophobicContact CD2-CG 3.67Å; L166-P173 HydrophobicContact CG-CG 4.37Å; P173-P211 CarbonylContact C-O 3.59Å; P173-P211 WeakPolarHBondContact CA-O 3.2Å; P173-P211 HydrophobicContact CB-CB 4.24Å; P173-P211 WeakPolarHBondContact CB-O 3.35Å; P173-L213 HydrophobicContact CB-CB 3.87Å; P173-L213 HydrophobicContact CG-CB 3.69Å; P173-T514 WeakPolarHBondContact O-CG2 3.49Å; P173-T514 PolarHBondContact O-OG1 2.97Å
174I91.9Very high94.6Very high1 Ų122 Ų221%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-78.6129.4155.7-64.6161.2000107.5V210 P211 V212 L213 K519 V521I174-V210 HydrophobicContact CD1-CB 3.96Å; I174-V210 HydrophobicContact CD1-CG1 3.93Å; I174-V210 HydrophobicContact CG1-CB 4.44Å; I174-V210 HydrophobicContact CG1-CG1 3.85Å; I174-P211 PolarHBondContact N-O 3.48Å; I174-V212 WeakPolarHBondContact O-CA 3.31Å; I174-L213 PolarHBondContact O-N 3.14Å; I174-K519 VanDerWaalsContact CD1-O 3.22Å; I174-K519 WeakPolarHBondContact CD1-O 3.43Å; I174-K519 WeakPolarHBondContact CG1-O 3.45Å; I174-V521 HydrophobicContact CB-CG2 4.12Å; I174-V521 HydrophobicContact CD1-CB 4.38Å; I174-V521 HydrophobicContact CD1-CG2 3.39Å; I174-V521 HydrophobicContact CG1-CG2 4.34Å; I174-V521 HydrophobicContact CG2-CG2 3.97Å
175I95.1Very high94.5Very high0 Ų025.6 Ų25.60%013%0.128CC..EExtended strand (participates in β ladder)trans-93.4116.6-176.5-53.1173.6000108.2A188 I191 R192 I195 L213 I215 S511 L512 T514I175-A188 HydrophobicContact CG2-CB 3.78Å; I175-I191 HydrophobicContact CD1-CB 4.12Å; I175-I191 HydrophobicContact CD1-CG2 3.73Å; I175-R192 HydrophobicContact CD1-CB 4.07Å; I175-I195 HydrophobicContact CD1-CD1 4.38Å; I175-L213 CarbonylContact C-O 3.58Å; I175-L213 WeakPolarHBondContact CA-O 3.47Å; I175-L213 HydrophobicContact CG1-CD2 4.32Å; I175-L213 HydrophobicContact CG2-CD2 4.37Å; I175-I215 HydrophobicContact CG2-CD1 4.04Å; I175-S511 CarbonylContact O-C 3.48Å; I175-S511 WeakPolarHBondContact O-CA 3.41Å; I175-L512 HydrophobicContact CB-CB 4.38Å; I175-L512 PolarHBondContact N-O 3.22Å; I175-L512 PolarHBondContact O-N 3.06Å; I175-T514 HydrophobicContact CD1-CG2 3.76Å; I175-T514 HydrophobicContact CG1-CG2 3.96Å
176R95.6Very high94.5Very high9 Ų928.4 Ų28.43%0.03414%0.141CC..EExtended strand (participates in β ladder)trans-107.1144.1167.5-61-171.574.4143.14.1108.9V212 L213 L214 I215 L504 P505 D506 F509 P510R176-V212 HydrophobicContact CG-CG1 4.23Å; R176-L213 PolarHBondContact N-O 3.4Å; R176-L213 VanDerWaalsContact O-O 3.12Å; R176-L214 HydrophobicContact CB-CD1 3.92Å; R176-L214 CarbonylContact O-C 3.58Å; R176-L214 VanDerWaalsContact O-CA 3.31Å; R176-L214 WeakPolarHBondContact O-CA 3.47Å; R176-I215 PolarHBondContact O-N 3.04Å; R176-L504 PolarHBondContact NH2-O 2.66Å; R176-L504 VanDerWaalsContact NH2-O 3.13Å; R176-P505 PolarHBondContact NH2-O 2.71Å; R176-D506 IonicContact CZ-OD1 2.78Å; R176-D506 IonicContact NH1-OD1 2.74Å; R176-D506 IonicContact NH2-OD1 3.39Å; R176-D506 PolarHBondContact NH2-OD1 2.97Å; R176-F509 VanDerWaalsContact CZ-O 3.23Å; R176-F509 PolarHBondContact NE-O 2.9Å; R176-F509 PolarHBondContact NH2-O 3.05Å; R176-P510 WeakPolarHBondContact CA-O 3.48Å
177Y96.3Very high94.5Very high17 Ų1728.4 Ų28.47%0.06714%0.141CC..EExtended strand (participates in β ladder)trans-142.7156.4178.463.7-86.1000109.5N179 R185 A188 I215 F509 P510 L512Y177-N179 PolarHBondContact O-N 3.27Å; Y177-R185 HydrophobicContact CD2-CB 3.85Å; Y177-R185 HydrophobicContact CD2-CG 4.34Å; Y177-R185 HydrophobicContact CE2-CB 3.52Å; Y177-R185 HydrophobicContact CE2-CG 3.58Å; Y177-A188 HydrophobicContact CD1-CB 3.56Å; Y177-A188 HydrophobicContact CE1-CB 4.3Å; Y177-A188 HydrophobicContact CG-CB 3.83Å; Y177-I215 WeakPolarHBondContact CA-O 3.43Å; Y177-F509 VanDerWaalsContact O-CA 3.25Å; Y177-F509 WeakPolarHBondContact O-CA 3.44Å; Y177-P510 HydrophobicContact CD1-CG 4.42Å; Y177-P510 HydrophobicContact CD2-CG 4.35Å; Y177-P510 HydrophobicContact CE1-CB 4.39Å; Y177-P510 HydrophobicContact CE1-CG 3.8Å; Y177-P510 HydrophobicContact CE2-CG 3.72Å; Y177-P510 VanDerWaalsContact CZ-CG 3.43Å; Y177-P510 PolarHBondContact N-O 3.38Å; Y177-P510 WeakPolarHBondContact O-CD 3.5Å; Y177-L512 HydrophobicContact CD1-CD1 4.22Å; Y177-L512 HydrophobicContact CD1-CG 4.18Å; Y177-L512 HydrophobicContact CE1-CD1 3.87Å; Y177-L512 HydrophobicContact CE1-CD2 3.93Å; Y177-L512 HydrophobicContact CE1-CG 3.66Å
178Q94.5Very high94.6Very high0 Ų028.1 Ų28.10%014%0.14CC..  trans-68.9113176.1-175.6171.25.400111.5A180 S181 A184 I215 Q220 W431 F509Q178-A180 VanDerWaalsContact C-N 3.33Å; Q178-A180 PolarHBondContact O-N 2.91Å; Q178-S181 PolarHBondContact O-N 3.41Å; Q178-A184 HydrophobicContact CB-CB 4.48Å; Q178-I215 PolarHBondContact N-O 3Å; Q178-Q220 VanDerWaalsContact CD-OE1 3.28Å; Q178-W431 HydrophobicContact CG-CH2 4.34Å; Q178-W431 HydrophobicContact CG-CZ3 4.27Å; Q178-F509 HydrophobicContact CB-CD1 4.36Å; Q178-F509 HydrophobicContact CB-CE1 3.98Å; Q178-F509 HydrophobicContact CG-CE1 4.22Å
179N93Very high94.5Very high79 Ų7931 Ų3142%0.42215%0.152SC..THydrogen-bonded Turntrans-61.1-39-170.2-16529.8000113.5Y177 S181 A507 S508 P510Y177-N179 PolarHBondContact O-N 3.27Å; N179-S181 PolarHBondContact O-N 3.37Å; N179-S181 VanDerWaalsContact O-N 3.13Å; N179-A507 WeakPolarHBondContact CB-O 3.46Å; N179-A507 PolarHBondContact ND2-O 3.28Å; N179-S508 WeakPolarHBondContact CB-O 3.48Å; N179-S508 PolarHBondContact N-O 3.4Å; N179-P510 HydrophobicContact CB-CG 4.02Å
180A90.1Very high94.6Very high49 Ų4931.5 Ų31.541%0.40516%0.157SC..THydrogen-bonded Turntrans-65.6-13.2178.400000113Q178 W431 V435Q178-A180 VanDerWaalsContact C-N 3.33Å; Q178-A180 PolarHBondContact O-N 2.91Å; A180-W431 HydrophobicContact CB-CE3 4.32Å; A180-W431 HydrophobicContact CB-CH2 3.5Å; A180-W431 HydrophobicContact CB-CZ2 4.4Å; A180-W431 HydrophobicContact CB-CZ3 3.41Å; A180-W431 VanDerWaalsContact CB-CZ3 3.41Å; A180-W431 VanDerWaalsContact O-CH2 3.24Å; A180-W431 WeakPolarHBondContact O-CH2 3.46Å; A180-W431 WeakPolarHBondContact O-CZ2 3.29Å; A180-V435 HydrophobicContact CB-CG1 4.3Å
181S92.8Very high94.7Very high0 Ų024.9 Ų24.90%013%0.128CC..  trans-102.4104.6-176177.30000110Q178 N179 V183 A184 R185 D217 W431Q178-S181 PolarHBondContact O-N 3.41Å; N179-S181 PolarHBondContact O-N 3.37Å; N179-S181 VanDerWaalsContact O-N 3.13Å; S181-V183 PolarHBondContact O-N 3Å; S181-V183 WeakPolarHBondContact OG-CG2 3.27Å; S181-A184 PolarHBondContact O-N 2.72Å; S181-A184 VanDerWaalsContact O-N 3.17Å; S181-A184 WeakPolarHBondContact OG-CB 2.93Å; S181-A184 PolarHBondContact OG-N 2.99Å; S181-R185 PolarHBondContact O-N 2.98Å; S181-D217 WeakPolarHBondContact CB-OD2 3.27Å; S181-D217 PolarHBondContact OG-OD2 2.87Å; S181-W431 VanDerWaalsContact CA-CH2 3.44Å; S181-W431 VanDerWaalsContact CB-CH2 3.44Å
182E92.7Very high94.8Very high81 Ų8128.4 Ų28.438%0.37914%0.141SC..Hα-helixtrans-58.9-37.7174179.952.6-151.900111.7R185 Q186E182-R185 WeakPolarHBondContact O-CB 3.49Å; E182-R185 PolarHBondContact O-N 3.38Å; E182-R185 IonicContact OE1-CZ 3.74Å; E182-R185 IonicContact OE1-NE 3.63Å; E182-R185 IonicContact OE1-NH2 2.72Å; E182-R185 PolarHBondContact OE1-NH2 3.46Å; E182-R185 IonicContact OE2-CZ 2.71Å; E182-R185 IonicContact OE2-NE 3.61Å; E182-R185 PolarHBondContact OE2-NE 2.83Å; E182-R185 IonicContact OE2-NH2 3.5Å; E182-R185 PolarHBondContact OE2-NH2 3.29Å; E182-Q186 VanDerWaalsContact O-CG 3.28Å; E182-Q186 WeakPolarHBondContact O-CG 3.42Å; E182-Q186 PolarHBondContact O-N 2.98Å; E182-Q186 PolarHBondContact OE1-NE2 3.31Å
183V94.4Very high95Very high3 Ų330.2 Ų30.22%0.01815%0.154CC..Hα-helixtrans-70.4-35.2177.2-580000112.3L144 L150 S181 Q186 L187 D217 I535L144-V183 HydrophobicContact CD2-CG1 4.28Å; L150-V183 HydrophobicContact CB-CB 4.03Å; L150-V183 HydrophobicContact CB-CG1 3.83Å; S181-V183 PolarHBondContact O-N 3Å; S181-V183 WeakPolarHBondContact OG-CG2 3.27Å; V183-Q186 PolarHBondContact O-N 3.39Å; V183-L187 PolarHBondContact O-N 3.02Å; V183-D217 VanDerWaalsContact CG2-OD2 3.27Å; V183-D217 WeakPolarHBondContact CG2-OD2 3.44Å; V183-I535 HydrophobicContact CB-CD1 4.33Å; V183-I535 HydrophobicContact CG2-CD1 3.97Å; V183-I535 HydrophobicContact CG2-CG2 4.16Å; V183-I535 WeakPolarHBondContact O-CD1 3.48Å
184A96.6Very high95.1Very high0 Ų031 Ų310%016%0.157CC..Hα-helixtrans-66.1-40.8173.100000111.1Q178 S181 L187 A188 I215 I535Q178-A184 HydrophobicContact CB-CB 4.48Å; S181-A184 PolarHBondContact O-N 2.72Å; S181-A184 VanDerWaalsContact O-N 3.17Å; S181-A184 WeakPolarHBondContact OG-CB 2.93Å; S181-A184 PolarHBondContact OG-N 2.99Å; A184-L187 PolarHBondContact O-N 3.4Å; A184-A188 VanDerWaalsContact O-CB 3.31Å; A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 3.44Å; A184-I215 HydrophobicContact CB-CG2 3.84Å; A184-I535 HydrophobicContact CB-CD1 4.19Å
185R96.7Very high95.1Very high77 Ų7730.9 Ų30.929%0.29116%0.157SC..Hα-helixtrans-61.6-47.8174.3-173173.671.285.2-6.6111.8Y177 S181 E182 L187 A188 E189Y177-R185 HydrophobicContact CD2-CB 3.85Å; Y177-R185 HydrophobicContact CD2-CG 4.34Å; Y177-R185 HydrophobicContact CE2-CB 3.52Å; Y177-R185 HydrophobicContact CE2-CG 3.58Å; S181-R185 PolarHBondContact O-N 2.98Å; E182-R185 WeakPolarHBondContact O-CB 3.49Å; E182-R185 PolarHBondContact O-N 3.38Å; E182-R185 IonicContact OE1-CZ 3.74Å; E182-R185 IonicContact OE1-NE 3.63Å; E182-R185 IonicContact OE1-NH2 2.72Å; E182-R185 PolarHBondContact OE1-NH2 3.46Å; E182-R185 IonicContact OE2-CZ 2.71Å; E182-R185 IonicContact OE2-NE 3.61Å; E182-R185 PolarHBondContact OE2-NE 2.83Å; E182-R185 IonicContact OE2-NH2 3.5Å; E182-R185 PolarHBondContact OE2-NH2 3.29Å; R185-L187 VanDerWaalsContact C-N 3.35Å; R185-L187 PolarHBondContact O-N 2.97Å; R185-A188 WeakPolarHBondContact O-CB 3.48Å; R185-A188 PolarHBondContact O-N 3.29Å; R185-E189 WeakPolarHBondContact CG-OE1 3.23Å; R185-E189 IonicContact CZ-OE1 3.17Å; R185-E189 IonicContact NH1-OE1 3.1Å; R185-E189 PolarHBondContact NH1-OE1 3.42Å; R185-E189 IonicContact NH1-OE2 2.67Å; R185-E189 WeakPolarHBondContact O-CB 3.43Å; R185-E189 WeakPolarHBondContact O-CG 3.35Å; R185-E189 PolarHBondContact O-N 3.11Å
186Q97.1Very high95Very high58 Ų5833.1 Ų33.127%0.27117%0.172SC..Hα-helixtrans-58.6-44.8177.1-74173.320.600112.2E182 V183 E189 S190E182-Q186 VanDerWaalsContact O-CG 3.28Å; E182-Q186 WeakPolarHBondContact O-CG 3.42Å; E182-Q186 PolarHBondContact O-N 2.98Å; E182-Q186 PolarHBondContact OE1-NE2 3.31Å; V183-Q186 PolarHBondContact O-N 3.39Å; Q186-E189 PolarHBondContact O-N 3.16Å; Q186-S190 WeakPolarHBondContact O-CB 3.42Å; Q186-S190 PolarHBondContact O-N 3.41Å
187L98.1Very high94.8Very high0 Ų039.7 Ų39.70%020%0.197CC..Hα-helixtrans-64.9-43176.2-178.158.7000111.7L155 L162 V183 A184 R185 E189 S190 I191 I215 F533 I535L155-L187 HydrophobicContact CD1-CB 4.16Å; L155-L187 HydrophobicContact CD1-CD1 4.04Å; L162-L187 HydrophobicContact CD1-CD2 3.98Å; L162-L187 HydrophobicContact CD1-CG 4.39Å; V183-L187 PolarHBondContact O-N 3.02Å; A184-L187 PolarHBondContact O-N 3.4Å; R185-L187 VanDerWaalsContact C-N 3.35Å; R185-L187 PolarHBondContact O-N 2.97Å; L187-E189 PolarHBondContact O-N 3.29Å; L187-S190 PolarHBondContact O-N 3.17Å; L187-I191 HydrophobicContact CD1-CD1 3.99Å; L187-I191 HydrophobicContact CD1-CG1 4.25Å; L187-I191 HydrophobicContact CG-CD1 3.92Å; L187-I191 VanDerWaalsContact O-CG1 3.31Å; L187-I191 WeakPolarHBondContact O-CG1 3.32Å; L187-I191 PolarHBondContact O-N 3.37Å; L187-I215 HydrophobicContact CB-CD1 4.48Å; L187-I215 HydrophobicContact CD2-CD1 4.42Å; L187-I215 HydrophobicContact CD2-CG2 4.08Å; L187-I215 HydrophobicContact CG-CD1 4.14Å; L187-F533 HydrophobicContact CD2-CD1 3.75Å; L187-F533 HydrophobicContact CD2-CE1 3.75Å; L187-I535 HydrophobicContact CB-CD1 4.15Å; L187-I535 HydrophobicContact CD2-CD1 3.87Å; L187-I535 HydrophobicContact CD2-CG1 3.87Å
188A97.5Very high94.5Very high0 Ų041.9 Ų41.90%021%0.208CC..Hα-helixtrans-59-45.8176.700000112.1I175 Y177 A184 R185 I191 R192 I215 L512I175-A188 HydrophobicContact CG2-CB 3.78Å; Y177-A188 HydrophobicContact CD1-CB 3.56Å; Y177-A188 HydrophobicContact CE1-CB 4.3Å; Y177-A188 HydrophobicContact CG-CB 3.83Å; A184-A188 VanDerWaalsContact O-CB 3.31Å; A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 3.44Å; R185-A188 WeakPolarHBondContact O-CB 3.48Å; R185-A188 PolarHBondContact O-N 3.29Å; A188-I191 PolarHBondContact O-N 3.45Å; A188-R192 WeakPolarHBondContact O-CB 3.1Å; A188-R192 PolarHBondContact O-N 2.96Å; A188-I215 HydrophobicContact CB-CD1 3.85Å; A188-L512 HydrophobicContact CB-CD1 3.78Å
189E96.7Very high94.3Very high69 Ų6944.8 Ų44.832%0.32223%0.226SC..Hα-helixtrans-66.1-39.5177.5-74.1175.4-168.300112.2R185 Q186 L187 R192 S193 L512R185-E189 WeakPolarHBondContact CG-OE1 3.23Å; R185-E189 IonicContact CZ-OE1 3.17Å; R185-E189 IonicContact NH1-OE1 3.1Å; R185-E189 PolarHBondContact NH1-OE1 3.42Å; R185-E189 IonicContact NH1-OE2 2.67Å; R185-E189 WeakPolarHBondContact O-CB 3.43Å; R185-E189 WeakPolarHBondContact O-CG 3.35Å; R185-E189 PolarHBondContact O-N 3.11Å; Q186-E189 PolarHBondContact O-N 3.16Å; L187-E189 PolarHBondContact O-N 3.29Å; E189-R192 PolarHBondContact O-N 3.5Å; E189-S193 VanDerWaalsContact O-CB 3.27Å; E189-S193 WeakPolarHBondContact O-CB 3.26Å; E189-S193 PolarHBondContact O-N 3.46Å; E189-L512 HydrophobicContact CG-CD1 4.12Å
190S96.9Very high94.1Very high32 Ų3246.8 Ų46.822%0.22424%0.241CC..Hα-helixtrans-61.2-47.4175.7-174.30000111.7T159 Q186 L187 S193 F194T159-S190 WeakPolarHBondContact CG2-OG 3.18Å; T159-S190 WeakPolarHBondContact OG1-CB 3.42Å; T159-S190 PolarHBondContact OG1-OG 3.25Å; Q186-S190 WeakPolarHBondContact O-CB 3.42Å; Q186-S190 PolarHBondContact O-N 3.41Å; L187-S190 PolarHBondContact O-N 3.17Å; S190-S193 WeakPolarHBondContact O-CB 3.42Å; S190-S193 PolarHBondContact O-N 3.32Å; S190-F194 PolarHBondContact O-N 2.95Å
191I96.7Very high94.2Very high0 Ų046.8 Ų46.80%023%0.233CC..Hα-helixtrans-64.3-44.3176.9-64.6162.9000110.9T159 L162 T163 L166 I175 L187 A188 S193 F194 I195 L213 I215T159-I191 HydrophobicContact CG2-CG1 4.25Å; L162-I191 HydrophobicContact CB-CD1 3.97Å; L162-I191 HydrophobicContact CD1-CD1 3.45Å; L162-I191 VanDerWaalsContact CD1-CD1 3.45Å; L162-I191 HydrophobicContact CG-CD1 4.36Å; T163-I191 HydrophobicContact CG2-CG2 4.17Å; L166-I191 HydrophobicContact CD1-CG2 4.31Å; I175-I191 HydrophobicContact CD1-CB 4.12Å; I175-I191 HydrophobicContact CD1-CG2 3.73Å; L187-I191 HydrophobicContact CD1-CD1 3.99Å; L187-I191 HydrophobicContact CD1-CG1 4.25Å; L187-I191 HydrophobicContact CG-CD1 3.92Å; L187-I191 VanDerWaalsContact O-CG1 3.31Å; L187-I191 WeakPolarHBondContact O-CG1 3.32Å; L187-I191 PolarHBondContact O-N 3.37Å; A188-I191 PolarHBondContact O-N 3.45Å; I191-S193 VanDerWaalsContact C-N 3.29Å; I191-S193 PolarHBondContact O-N 2.8Å; I191-F194 WeakPolarHBondContact O-CB 3.35Å; I191-F194 PolarHBondContact O-N 2.84Å; I191-I195 HydrophobicContact CG2-CD1 3.86Å; I191-I195 HydrophobicContact CG2-CG1 4.46Å; I191-I195 WeakPolarHBondContact O-CG1 3.26Å; I191-I195 PolarHBondContact O-N 3.01Å; I191-L213 HydrophobicContact CD1-CD2 4.05Å; I191-L213 HydrophobicContact CG2-CD2 4.32Å; I191-I215 HydrophobicContact CD1-CD1 3.94Å
192R95Very high94.1Very high100 Ų10046.9 Ų46.938%0.37723%0.234SC..Hα-helixtrans-58.3-43.3175.5-175.9-17170.390.4-1.8111.4I175 A188 E189 I195 S196 A513I175-R192 HydrophobicContact CD1-CB 4.07Å; A188-R192 WeakPolarHBondContact O-CB 3.1Å; A188-R192 PolarHBondContact O-N 2.96Å; E189-R192 PolarHBondContact O-N 3.5Å; R192-I195 PolarHBondContact O-N 2.96Å; R192-S196 WeakPolarHBondContact O-CB 3.38Å; R192-S196 PolarHBondContact O-N 3.42Å; R192-S196 PolarHBondContact O-OG 2.99Å; R192-A513 WeakPolarHBondContact CD-O 3.3Å
193S94.5Very high93.9Very high60 Ų6049.4 Ų49.442%0.4225%0.25SC..Hα-helixtrans-62.6-44177.5-176.60000111.5E189 S190 I191 S196 R197E189-S193 VanDerWaalsContact O-CB 3.27Å; E189-S193 WeakPolarHBondContact O-CB 3.26Å; E189-S193 PolarHBondContact O-N 3.46Å; S190-S193 WeakPolarHBondContact O-CB 3.42Å; S190-S193 PolarHBondContact O-N 3.32Å; I191-S193 VanDerWaalsContact C-N 3.29Å; I191-S193 PolarHBondContact O-N 2.8Å; S193-S196 PolarHBondContact O-N 3.32Å; S193-R197 PolarHBondContact O-N 3.38Å; S193-R197 VanDerWaalsContact O-N 3.09Å
194F94.4Very high93.5Very high15 Ų1551.7 Ų51.77%0.06626%0.26CS..Hα-helixtrans-58.8-52.9174.2-172.5-83000111.9H99 T159 T163 S190 I191 S196 R197 E198 I201 F202H99-F194 AromaticContact CE1-CE2 3.65Å; H99-F194 AromaticContact CE1-CZ 3.42Å; H99-F194 VanDerWaalsContact CE1-CZ 3.42Å; H99-F194 WeakPolarHBondContact CE1-CZ 3.35Å; T159-F194 HydrophobicContact CG2-CB 4.33Å; T163-F194 HydrophobicContact CG2-CB 4.08Å; T163-F194 HydrophobicContact CG2-CD1 3.47Å; T163-F194 VanDerWaalsContact CG2-CD1 3.47Å; T163-F194 HydrophobicContact CG2-CE1 4.08Å; T163-F194 HydrophobicContact CG2-CG 3.8Å; S190-F194 PolarHBondContact O-N 2.95Å; I191-F194 WeakPolarHBondContact O-CB 3.35Å; I191-F194 PolarHBondContact O-N 2.84Å; F194-S196 VanDerWaalsContact C-N 3.26Å; F194-S196 PolarHBondContact O-N 2.89Å; F194-R197 VanDerWaalsContact CD2-NH2 3.32Å; F194-R197 PolarHBondContact O-N 3.39Å; F194-R197 VanDerWaalsContact O-N 3.09Å; F194-E198 HydrophobicContact CD1-CB 4.42Å; F194-E198 HydrophobicContact CD1-CG 4.13Å; F194-E198 HydrophobicContact CE1-CB 4.04Å; F194-E198 HydrophobicContact CE1-CG 3.7Å; F194-E198 HydrophobicContact CE2-CG 4.14Å; F194-E198 HydrophobicContact CZ-CB 4.46Å; F194-E198 HydrophobicContact CZ-CG 3.67Å; F194-E198 PolarHBondContact O-N 2.96Å; F194-I201 HydrophobicContact CE1-CD1 4.42Å; F194-F202 AromaticContact CD1-CE2 3.89Å; F194-F202 HydrophobicContact CD1-CE2 3.89Å; F194-F202 AromaticContact CE1-CE2 3.83Å; F194-F202 HydrophobicContact CE1-CE2 3.83Å
195I93.2Very high92.8Very high0 Ų061.2 Ų61.20%030%0.301CS..Hα-helixtrans-60.1-38.7-179.5-65.4167.9000111.3L166 I175 I191 R192 R197 E198 T199 F202 T514L166-I195 HydrophobicContact CD1-CD1 4.08Å; I175-I195 HydrophobicContact CD1-CD1 4.38Å; I191-I195 HydrophobicContact CG2-CD1 3.86Å; I191-I195 HydrophobicContact CG2-CG1 4.46Å; I191-I195 WeakPolarHBondContact O-CG1 3.26Å; I191-I195 PolarHBondContact O-N 3.01Å; R192-I195 PolarHBondContact O-N 2.96Å; I195-R197 VanDerWaalsContact C-N 3.29Å; I195-R197 PolarHBondContact O-N 3.44Å; I195-E198 CarbonylContact O-C 3.49Å; I195-E198 PolarHBondContact O-N 3.48Å; I195-T199 PolarHBondContact O-N 3.3Å; I195-F202 HydrophobicContact CB-CD2 4.35Å; I195-F202 HydrophobicContact CB-CE2 4.4Å; I195-F202 HydrophobicContact CD1-CE1 4.44Å; I195-F202 HydrophobicContact CD1-CZ 4.5Å; I195-F202 HydrophobicContact CG1-CD1 4.37Å; I195-F202 HydrophobicContact CG1-CD2 4.14Å; I195-F202 HydrophobicContact CG1-CE1 4.05Å; I195-F202 HydrophobicContact CG1-CE2 3.78Å; I195-F202 HydrophobicContact CG1-CG 4.42Å; I195-F202 HydrophobicContact CG1-CZ 3.74Å; I195-F202 HydrophobicContact CG2-CB 4.34Å; I195-F202 HydrophobicContact CG2-CD1 4.47Å; I195-F202 HydrophobicContact CG2-CD2 4.18Å; I195-F202 HydrophobicContact CG2-CG 4.08Å; I195-T514 HydrophobicContact CD1-CG2 3.83Å; I195-T514 HydrophobicContact CG2-CG2 4.41Å
196S91.8Very high91.7Very high46 Ų4662.3 Ų62.332%0.32231%0.309SS..Hα-helixtrans-70.3-25.8-179.8-54.90000112.9R192 S193 F194 T199R192-S196 WeakPolarHBondContact O-CB 3.38Å; R192-S196 PolarHBondContact O-N 3.42Å; R192-S196 PolarHBondContact O-OG 2.99Å; S193-S196 PolarHBondContact O-N 3.32Å; F194-S196 VanDerWaalsContact C-N 3.26Å; F194-S196 PolarHBondContact O-N 2.89Å; S196-T199 WeakPolarHBondContact O-CG2 3.31Å
197R91.5Very high90.8Very high148 Ų14861.2 Ų61.256%0.55831%0.308SS*.Hα-helixtrans-82.9-40.9174.2-176.8175.760.2-1130.7111.8S193 F194 I195 T199S193-R197 PolarHBondContact O-N 3.38Å; S193-R197 VanDerWaalsContact O-N 3.09Å; F194-R197 VanDerWaalsContact CD2-NH2 3.32Å; F194-R197 PolarHBondContact O-N 3.39Å; F194-R197 VanDerWaalsContact O-N 3.09Å; I195-R197 VanDerWaalsContact C-N 3.29Å; I195-R197 PolarHBondContact O-N 3.44Å; R197-T199 PolarHBondContact O-N 2.91Å
198E90.7Very high90.1Very high63 Ų6368.5 Ų68.529%0.29434%0.342SS..  trans-99.545.6-174-54.3-55.9155.400112.4F194 I195 V200 I201 F202F194-E198 HydrophobicContact CD1-CB 4.42Å; F194-E198 HydrophobicContact CD1-CG 4.13Å; F194-E198 HydrophobicContact CE1-CB 4.04Å; F194-E198 HydrophobicContact CE1-CG 3.7Å; F194-E198 HydrophobicContact CE2-CG 4.14Å; F194-E198 HydrophobicContact CZ-CB 4.46Å; F194-E198 HydrophobicContact CZ-CG 3.67Å; F194-E198 PolarHBondContact O-N 2.96Å; I195-E198 CarbonylContact O-C 3.49Å; I195-E198 PolarHBondContact O-N 3.48Å; E198-V200 PolarHBondContact O-N 2.96Å; E198-V200 VanDerWaalsContact O-N 3.16Å; E198-I201 HydrophobicContact CB-CD1 3.76Å; E198-I201 HydrophobicContact CB-CG1 3.74Å; E198-I201 HydrophobicContact CG-CD1 4.32Å; E198-I201 VanDerWaalsContact O-CG1 3.29Å; E198-I201 WeakPolarHBondContact O-CG1 3.24Å; E198-I201 PolarHBondContact O-N 3.47Å; E198-F202 HydrophobicContact CB-CD2 4.46Å; E198-F202 WeakPolarHBondContact O-CD2 3.47Å; E198-F202 PolarHBondContact O-N 3.41Å
199T89.3Confident89.6Confident60 Ų6069.4 Ų69.437%0.36835%0.348SS..THydrogen-bonded Turntrans-58.7-32.3-173.152.30000113.8I195 S196 R197 F202 D203 T516I195-T199 PolarHBondContact O-N 3.3Å; S196-T199 WeakPolarHBondContact O-CG2 3.31Å; R197-T199 PolarHBondContact O-N 2.91Å; T199-F202 CarbonylContact O-C 3.57Å; T199-F202 PolarHBondContact O-N 3.39Å; T199-D203 PolarHBondContact O-N 3.09Å; T199-D203 VanDerWaalsContact O-N 3.13Å; T199-T516 HydrophobicContact CG2-CG2 4.1Å
200V90.2Very high89.2Confident122 Ų12266.7 Ų66.774%0.73934%0.336SS*.THydrogen-bonded Turntrans-64.3-45.5-177.8178.70000112.1E198 F202 D203E198-V200 PolarHBondContact O-N 2.96Å; E198-V200 VanDerWaalsContact O-N 3.16Å; V200-F202 PolarHBondContact O-N 2.99Å; V200-D203 WeakPolarHBondContact O-CB 3.36Å; V200-D203 PolarHBondContact O-N 2.92Å
201I91.6Very high89Confident49 Ų4965.3 Ų65.325%0.25133%0.327SS..THydrogen-bonded Turntrans-77.6-13.3-179.861.3173.7000112.5F125 L167 F194 E198 F204F125-I201 HydrophobicContact CE1-CD1 4.25Å; F125-I201 HydrophobicContact CZ-CD1 3.88Å; L167-I201 HydrophobicContact CD1-CD1 3.84Å; L167-I201 HydrophobicContact CD2-CB 4.23Å; L167-I201 HydrophobicContact CD2-CD1 4.21Å; L167-I201 HydrophobicContact CD2-CG1 4.07Å; L167-I201 VanDerWaalsContact CD2-O 3.24Å; L167-I201 WeakPolarHBondContact CD2-O 3.16Å; F194-I201 HydrophobicContact CE1-CD1 4.42Å; E198-I201 HydrophobicContact CB-CD1 3.76Å; E198-I201 HydrophobicContact CB-CG1 3.74Å; E198-I201 HydrophobicContact CG-CD1 4.32Å; E198-I201 VanDerWaalsContact O-CG1 3.29Å; E198-I201 WeakPolarHBondContact O-CG1 3.24Å; E198-I201 PolarHBondContact O-N 3.47Å; I201-F204 WeakPolarHBondContact O-CE1 3.44Å; I201-F204 WeakPolarHBondContact O-CZ 3.37Å
202F90.4Very high88.9Confident2 Ų265.4 Ų65.41%0.00933%0.327CS..THydrogen-bonded Turntrans-99.57.9172.9-79.6-79.4000113.8L166 L167 C172 F194 I195 E198 T199 V200 F204L166-F202 HydrophobicContact CB-CE1 3.88Å; L166-F202 HydrophobicContact CB-CZ 4.42Å; L166-F202 HydrophobicContact CD1-CE1 4.41Å; L167-F202 HydrophobicContact CD1-CE2 4.15Å; L167-F202 HydrophobicContact CD1-CZ 3.99Å; L167-F202 HydrophobicContact CD2-CD1 3.86Å; L167-F202 HydrophobicContact CD2-CD2 3.96Å; L167-F202 HydrophobicContact CD2-CE1 3.63Å; L167-F202 HydrophobicContact CD2-CE2 3.75Å; L167-F202 HydrophobicContact CD2-CG 4.01Å; L167-F202 HydrophobicContact CD2-CZ 3.57Å; L167-F202 HydrophobicContact CG-CE1 3.85Å; L167-F202 HydrophobicContact CG-CE2 4.05Å; L167-F202 HydrophobicContact CG-CZ 3.55Å; C172-F202 HydrophobicContact CB-CD1 4.44Å; F194-F202 AromaticContact CD1-CE2 3.89Å; F194-F202 HydrophobicContact CD1-CE2 3.89Å; F194-F202 AromaticContact CE1-CE2 3.83Å; F194-F202 HydrophobicContact CE1-CE2 3.83Å; I195-F202 HydrophobicContact CB-CD2 4.35Å; I195-F202 HydrophobicContact CB-CE2 4.4Å; I195-F202 HydrophobicContact CD1-CE1 4.44Å; I195-F202 HydrophobicContact CD1-CZ 4.5Å; I195-F202 HydrophobicContact CG1-CD1 4.37Å; I195-F202 HydrophobicContact CG1-CD2 4.14Å; I195-F202 HydrophobicContact CG1-CE1 4.05Å; I195-F202 HydrophobicContact CG1-CE2 3.78Å; I195-F202 HydrophobicContact CG1-CG 4.42Å; I195-F202 HydrophobicContact CG1-CZ 3.74Å; I195-F202 HydrophobicContact CG2-CB 4.34Å; I195-F202 HydrophobicContact CG2-CD1 4.47Å; I195-F202 HydrophobicContact CG2-CD2 4.18Å; I195-F202 HydrophobicContact CG2-CG 4.08Å; E198-F202 HydrophobicContact CB-CD2 4.46Å; E198-F202 WeakPolarHBondContact O-CD2 3.47Å; E198-F202 PolarHBondContact O-N 3.41Å; T199-F202 CarbonylContact O-C 3.57Å; T199-F202 PolarHBondContact O-N 3.39Å; V200-F202 PolarHBondContact O-N 2.99Å; F202-F204 HydrophobicContact CB-CE2 4.49Å; F202-F204 HydrophobicContact CD1-CD2 4.49Å; F202-F204 AromaticContact CD1-CE2 3.79Å; F202-F204 HydrophobicContact CD1-CE2 3.79Å; F202-F204 HydrophobicContact CE1-CE2 4.46Å; F202-F204 HydrophobicContact CG-CE2 4.44Å; F202-F204 PolarHBondContact O-N 3.36Å
203D87.9Confident89Confident134 Ų13460.7 Ų60.772%0.71731%0.309SS*.  trans-77.273.2176.7-169.818.9000111T199 V200T199-D203 PolarHBondContact O-N 3.09Å; T199-D203 VanDerWaalsContact O-N 3.13Å; V200-D203 WeakPolarHBondContact O-CB 3.36Å; V200-D203 PolarHBondContact O-N 2.92Å
204F86.8Confident89.1Confident51 Ų5157.8 Ų57.822%0.22429%0.289CS..PPolyproline II helixtrans-99.8154.1177.2-52.7-54.3000110.9L167 K170 I201 F202 Q206L167-F204 HydrophobicContact CD2-CE2 4.11Å; L167-F204 HydrophobicContact CD2-CZ 3.72Å; K170-F204 VanDerWaalsContact C-CD2 3.43Å; K170-F204 HydrophobicContact CB-CD1 3.92Å; K170-F204 HydrophobicContact CB-CD2 4.5Å; K170-F204 HydrophobicContact CB-CE1 3.96Å; K170-F204 HydrophobicContact CB-CG 4.19Å; K170-F204 HydrophobicContact CB-CZ 4.26Å; K170-F204 HydrophobicContact CG-CD1 4.42Å; K170-F204 HydrophobicContact CG-CE1 4.12Å; I201-F204 WeakPolarHBondContact O-CE1 3.44Å; I201-F204 WeakPolarHBondContact O-CZ 3.37Å; F202-F204 HydrophobicContact CB-CE2 4.49Å; F202-F204 HydrophobicContact CD1-CD2 4.49Å; F202-F204 AromaticContact CD1-CE2 3.79Å; F202-F204 HydrophobicContact CD1-CE2 3.79Å; F202-F204 HydrophobicContact CE1-CE2 4.46Å; F202-F204 HydrophobicContact CG-CE2 4.44Å; F202-F204 PolarHBondContact O-N 3.36Å; F204-Q206 PolarHBondContact O-N 3.16Å
205K81.8Confident89.3Confident200 Ų20057.1 Ų57.187%0.8729%0.286SS*.PPolyproline II helixtrans-55.7116.4166.2-175.8178-179.8178.70109.1S207K205-S207 PolarHBondContact O-N 3.14Å
206Q73.1Confident89.5Confident100 Ų10057.2 Ų57.247%0.46729%0.287SS..PPolyproline II helixtrans-56.4126.8-179.6-72.4-174.45.400110.2F204 T516F204-Q206 PolarHBondContact O-N 3.16Å; Q206-T516 PolarHBondContact NE2-O 3.22Å
207S79.6Confident89.7Confident35 Ų3555.1 Ų55.125%0.24527%0.272CS..PPolyproline II helixtrans-79138.6170.9-58.50000108.6K171 K205 P209 V210K171-S207 PolarHBondContact NZ-OG 3.4Å; K205-S207 PolarHBondContact O-N 3.14Å; S207-P209 CarbonylContact C-O 3.45Å; S207-P209 CarbonylContact O-C 3.53Å; S207-V210 WeakPolarHBondContact O-CA 3.42Å; S207-V210 PolarHBondContact O-N 3.03Å
208E82.6Confident89.9Confident153 Ų15348 Ų4872%0.71525%0.245SC*.SBendtrans-119.7118173.8-67.2-162.615900110K519E208-K519 IonicContact OE1-NZ 2.73Å
209P86.4Confident90Very high18 Ų1846.1 Ų46.112%0.11724%0.235CC..SBendcis-67.2159.7-232.4-36.7000112.8S207 Q525 R526 K528S207-P209 CarbonylContact C-O 3.45Å; S207-P209 CarbonylContact O-C 3.53Å; P209-Q525 HydrophobicContact CB-CG 4.19Å; P209-Q525 VanDerWaalsContact CB-NE2 3.33Å; P209-R526 WeakPolarHBondContact CG-O 3.42Å; P209-K528 HydrophobicContact CG-CB 4.07Å; P209-K528 HydrophobicContact CG-CD 4.23Å; P209-K528 HydrophobicContact CG-CG 3.74Å
210V88.5Confident90Very high13 Ų1344 Ų448%0.07922%0.221CC..PPolyproline II helixtrans-64.3139.3178.5-176.50000109.7I174 S207 K519I174-V210 HydrophobicContact CD1-CB 3.96Å; I174-V210 HydrophobicContact CD1-CG1 3.93Å; I174-V210 HydrophobicContact CG1-CB 4.44Å; I174-V210 HydrophobicContact CG1-CG1 3.85Å; S207-V210 WeakPolarHBondContact O-CA 3.42Å; S207-V210 PolarHBondContact O-N 3.03Å; V210-K519 HydrophobicContact CG2-CD 4.25Å
211P92.5Very high90.2Very high3 Ų338.4 Ų38.42%0.01919%0.187CC..PPolyproline II helixtrans-63.8155.6176.8-18.131.4000111.9K171 P173 I174 E529K171-P211 HydrophobicContact CB-CG 4.28Å; K171-P211 HydrophobicContact CD-CG 3.86Å; K171-P211 HydrophobicContact CG-CG 4.42Å; P173-P211 CarbonylContact C-O 3.59Å; P173-P211 WeakPolarHBondContact CA-O 3.2Å; P173-P211 HydrophobicContact CB-CB 4.24Å; P173-P211 WeakPolarHBondContact CB-O 3.35Å; I174-P211 PolarHBondContact N-O 3.48Å; P211-E529 CarbonylContact C-O 2.9Å; P211-E529 WeakPolarHBondContact CA-O 3.39Å; P211-E529 HydrophobicContact CB-CB 3.98Å; P211-E529 HydrophobicContact CG-CB 4.34Å
212V94.5Very high90.3Very high2 Ų236.1 Ų36.11%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-115.8131.2176.7175.60000109.8I174 R176 L499 V521 P527 E529 I530 I531I174-V212 WeakPolarHBondContact O-CA 3.31Å; R176-V212 HydrophobicContact CG-CG1 4.23Å; V212-L499 HydrophobicContact CG1-CD1 4.42Å; V212-L499 HydrophobicContact CG1-CD2 4.21Å; V212-V521 HydrophobicContact CG2-CG2 4.33Å; V212-P527 HydrophobicContact CB-CB 4.44Å; V212-P527 HydrophobicContact CG2-CB 3.77Å; V212-P527 HydrophobicContact CG2-CG 4.3Å; V212-E529 PolarHBondContact N-O 3.21Å; V212-I530 CarbonylContact O-C 3.49Å; V212-I530 WeakPolarHBondContact O-CA 3.47Å; V212-I531 PolarHBondContact O-N 3.11Å
213L97.1Very high90.5Very high0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-101.2120.2163.417161.5000107.6L162 L166 P173 I174 I175 R176 I191 I215 I531L162-L213 HydrophobicContact CD2-CD1 4.22Å; L166-L213 HydrophobicContact CD1-CD2 4.42Å; P173-L213 HydrophobicContact CB-CB 3.87Å; P173-L213 HydrophobicContact CG-CB 3.69Å; I174-L213 PolarHBondContact O-N 3.14Å; I175-L213 CarbonylContact C-O 3.58Å; I175-L213 WeakPolarHBondContact CA-O 3.47Å; I175-L213 HydrophobicContact CG1-CD2 4.32Å; I175-L213 HydrophobicContact CG2-CD2 4.37Å; R176-L213 PolarHBondContact N-O 3.4Å; R176-L213 VanDerWaalsContact O-O 3.12Å; I191-L213 HydrophobicContact CD1-CD2 4.05Å; I191-L213 HydrophobicContact CG2-CD2 4.32Å; L213-I215 HydrophobicContact CD2-CD1 4.5Å; L213-I215 HydrophobicContact CG-CG1 4.27Å; L213-I531 CarbonylContact C-O 3.07Å; L213-I531 VanDerWaalsContact CA-O 3.28Å; L213-I531 WeakPolarHBondContact CA-O 3.24Å; L213-I531 HydrophobicContact CD1-CB 4.13Å; L213-I531 HydrophobicContact CD1-CG2 3.85Å
214L97.9Very high90.9Very high0 Ų029.8 Ų29.80%014%0.141CC..EExtended strand (participates in β ladder)trans-110.8119.3178179.864.8000110.4R176 L216 I495 L499 L504 F509 I531 I532 F533R176-L214 HydrophobicContact CB-CD1 3.92Å; R176-L214 CarbonylContact O-C 3.58Å; R176-L214 VanDerWaalsContact O-CA 3.31Å; R176-L214 WeakPolarHBondContact O-CA 3.47Å; L214-L216 HydrophobicContact CD1-CD2 4.16Å; L214-L216 HydrophobicContact CD2-CD1 4.15Å; L214-L216 HydrophobicContact CD2-CD2 4.08Å; L214-L216 HydrophobicContact CD2-CG 4.24Å; L214-L216 HydrophobicContact CG-CD1 4.47Å; L214-L216 HydrophobicContact CG-CD2 3.93Å; L214-L216 HydrophobicContact CG-CG 4.05Å; L214-I495 HydrophobicContact CD2-CG2 3.71Å; L214-L499 HydrophobicContact CD2-CD2 4.14Å; L214-L504 HydrophobicContact CD1-CD2 4.26Å; L214-F509 HydrophobicContact CD1-CD1 3.79Å; L214-F509 HydrophobicContact CD1-CE1 4.31Å; L214-I531 PolarHBondContact N-O 2.65Å; L214-I532 CarbonylContact O-C 3.5Å; L214-I532 WeakPolarHBondContact O-CA 3.43Å; L214-F533 PolarHBondContact O-N 3.34Å
215I98.6Very high91.4Very high0 Ų027.3 Ų27.30%013%0.131CC..EExtended strand (participates in β ladder)trans-103.2123.8178.7-55.9173.4000109.6I175 R176 Y177 Q178 A184 L187 A188 I191 L213 F533 I535I175-I215 HydrophobicContact CG2-CD1 4.04Å; R176-I215 PolarHBondContact O-N 3.04Å; Y177-I215 WeakPolarHBondContact CA-O 3.43Å; Q178-I215 PolarHBondContact N-O 3Å; A184-I215 HydrophobicContact CB-CG2 3.84Å; L187-I215 HydrophobicContact CB-CD1 4.48Å; L187-I215 HydrophobicContact CD2-CD1 4.42Å; L187-I215 HydrophobicContact CD2-CG2 4.08Å; L187-I215 HydrophobicContact CG-CD1 4.14Å; A188-I215 HydrophobicContact CB-CD1 3.85Å; I191-I215 HydrophobicContact CD1-CD1 3.94Å; L213-I215 HydrophobicContact CD2-CD1 4.5Å; L213-I215 HydrophobicContact CG-CG1 4.27Å; I215-F533 WeakPolarHBondContact CA-O 3.31Å; I215-I535 HydrophobicContact CG2-CD1 3.95Å; I215-I535 HydrophobicContact CG2-CG1 4.23Å
216L97.6Very high92.1Very high2 Ų217.8 Ų17.81%0.019%0.089CC..EExtended strand (participates in β ladder)trans-121.8157-176-60.3178.8000110.9L214 L492 I495 F509 I532 F533 F534 I535L214-L216 HydrophobicContact CD1-CD2 4.16Å; L214-L216 HydrophobicContact CD2-CD1 4.15Å; L214-L216 HydrophobicContact CD2-CD2 4.08Å; L214-L216 HydrophobicContact CD2-CG 4.24Å; L214-L216 HydrophobicContact CG-CD1 4.47Å; L214-L216 HydrophobicContact CG-CD2 3.93Å; L214-L216 HydrophobicContact CG-CG 4.05Å; L216-L492 HydrophobicContact CD1-CD1 3.71Å; L216-I495 HydrophobicContact CD1-CD1 4.49Å; L216-I495 HydrophobicContact CD2-CD1 4.3Å; L216-F509 HydrophobicContact CD2-CD1 4.43Å; L216-F509 HydrophobicContact CD2-CE1 3.6Å; L216-F509 HydrophobicContact CD2-CZ 4.43Å; L216-I532 HydrophobicContact CD1-CG2 3.8Å; L216-I532 HydrophobicContact CG-CG2 4.34Å; L216-F533 PolarHBondContact N-O 2.98Å; L216-F534 HydrophobicContact CB-CD1 3.95Å; L216-F534 HydrophobicContact CB-CD2 4.17Å; L216-F534 HydrophobicContact CB-CE1 3.86Å; L216-F534 HydrophobicContact CB-CE2 4.1Å; L216-F534 HydrophobicContact CB-CG 4.13Å; L216-F534 HydrophobicContact CB-CZ 3.95Å; L216-F534 HydrophobicContact CD1-CD2 4.23Å; L216-F534 HydrophobicContact CD1-CE1 4.27Å; L216-F534 HydrophobicContact CD1-CE2 3.49Å; L216-F534 VanDerWaalsContact CD1-CE2 3.49Å; L216-F534 HydrophobicContact CD1-CZ 3.52Å; L216-F534 HydrophobicContact CG-CE2 4.38Å; L216-F534 HydrophobicContact CG-CZ 4.38Å; L216-F534 WeakPolarHBondContact O-CA 3.27Å; L216-I535 PolarHBondContact O-N 2.94Å
217D95.4Very high93.2Very high2 Ų213.4 Ų13.41%0.0117%0.069CC..EExtended strand (participates in β ladder)trans-116.1123.7179.8-168.7-32.3000110.5S181 V183 R219 Q220S181-D217 WeakPolarHBondContact CB-OD2 3.27Å; S181-D217 PolarHBondContact OG-OD2 2.87Å; V183-D217 VanDerWaalsContact CG2-OD2 3.27Å; V183-D217 WeakPolarHBondContact CG2-OD2 3.44Å; D217-R219 PolarHBondContact O-N 3.1Å; D217-R219 WeakPolarHBondContact OD1-CB 3.43Å; D217-R219 WeakPolarHBondContact OD1-CG 3.43Å; D217-R219 IonicContact OD1-CZ 3.17Å; D217-R219 PolarHBondContact OD1-N 2.8Å; D217-R219 IonicContact OD1-NE 3.47Å; D217-R219 PolarHBondContact OD1-NE 2.72Å; D217-R219 VanDerWaalsContact OD1-NE 3.08Å; D217-R219 IonicContact OD2-CZ 2.72Å; D217-R219 VanDerWaalsContact OD2-CZ 3.31Å; D217-R219 IonicContact OD2-NE 2.73Å; D217-R219 PolarHBondContact OD2-NE 2.78Å; D217-R219 VanDerWaalsContact OD2-NE 3.11Å; D217-R219 IonicContact OD2-NH2 2.66Å; D217-R219 PolarHBondContact OD2-NH2 3.17Å; D217-Q220 PolarHBondContact O-N 2.64Å
218R95.3Very high94Very high0 Ų012.4 Ų12.40%06%0.062CC..G310 helixtrans-55-27.4179.217952.249.2-163.5-1.6112.9Q220 D221 I535 G536 G537 E542 F571R218-Q220 PolarHBondContact O-N 3.04Å; R218-Q220 VanDerWaalsContact O-N 3.09Å; R218-D221 VanDerWaalsContact CD-O 3.22Å; R218-D221 WeakPolarHBondContact CD-O 3.46Å; R218-D221 PolarHBondContact NH1-O 3.38Å; R218-D221 VanDerWaalsContact NH1-O 3.11Å; R218-D221 CarbonylContact O-C 3.59Å; R218-D221 VanDerWaalsContact O-C 3.23Å; R218-D221 PolarHBondContact O-N 2.71Å; R218-I535 VanDerWaalsContact CB-O 3.29Å; R218-I535 WeakPolarHBondContact CB-O 3.5Å; R218-I535 PolarHBondContact N-O 3.27Å; R218-G536 WeakPolarHBondContact CB-O 3.1Å; R218-G536 WeakPolarHBondContact CG-O 3.28Å; R218-G537 PolarHBondContact NE-O 2.71Å; R218-G537 PolarHBondContact NH2-O 2.82Å; R218-E542 IonicContact CZ-OE1 3.37Å; R218-E542 IonicContact CZ-OE2 3.52Å; R218-E542 IonicContact NH1-OE1 3.32Å; R218-E542 PolarHBondContact NH1-OE1 3.06Å; R218-E542 IonicContact NH1-OE2 2.74Å; R218-E542 IonicContact NH2-OE1 3.12Å; R218-E542 PolarHBondContact NH2-OE1 3.49Å; R218-E542 IonicContact NH2-OE2 3.43Å; R218-E542 PolarHBondContact NH2-OE2 2.82Å; R218-F571 HydrophobicContact CG-CD2 4.23Å; R218-F571 HydrophobicContact CG-CE2 3.72Å
219R92.2Very high94.5Very high22 Ų225.5 Ų5.58%0.0833%0.03CC..G310 helixtrans-61.7-18.1178.6-65.6178.6-69.4-173.21.5114R148 D217 Y429 W431R148-R219 PolarHBondContact O-NH1 2.92Å; R148-R219 VanDerWaalsContact O-NH1 3.14Å; D217-R219 PolarHBondContact O-N 3.1Å; D217-R219 WeakPolarHBondContact OD1-CB 3.43Å; D217-R219 WeakPolarHBondContact OD1-CG 3.43Å; D217-R219 IonicContact OD1-CZ 3.17Å; D217-R219 PolarHBondContact OD1-N 2.8Å; D217-R219 IonicContact OD1-NE 3.47Å; D217-R219 PolarHBondContact OD1-NE 2.72Å; D217-R219 VanDerWaalsContact OD1-NE 3.08Å; D217-R219 IonicContact OD2-CZ 2.72Å; D217-R219 VanDerWaalsContact OD2-CZ 3.31Å; D217-R219 IonicContact OD2-NE 2.73Å; D217-R219 PolarHBondContact OD2-NE 2.78Å; D217-R219 VanDerWaalsContact OD2-NE 3.11Å; D217-R219 IonicContact OD2-NH2 2.66Å; D217-R219 PolarHBondContact OD2-NH2 3.17Å; R219-Y429 HydrophobicContact CB-CE1 4.41Å; R219-Y429 WeakPolarHBondContact CB-O 3.41Å; R219-Y429 WeakPolarHBondContact CD-O 3.41Å; R219-Y429 HydrophobicContact CG-CD1 4.02Å; R219-Y429 HydrophobicContact CG-CD2 4.24Å; R219-Y429 HydrophobicContact CG-CE1 3.63Å; R219-Y429 HydrophobicContact CG-CE2 3.91Å; R219-Y429 HydrophobicContact CG-CG 4.31Å; R219-Y429 VanDerWaalsContact CG-O 3.27Å; R219-Y429 WeakPolarHBondContact CG-O 3.48Å; R219-W431 HydrophobicContact CB-CG 4.3Å; R219-W431 PolarHBondContact O-N 3.03Å
220Q90.7Very high94.9Very high17 Ų175 Ų58%0.0793%0.025CC..G310 helixtrans-78.7-27173.9-162.1-169.211.200113Q178 D217 R218 W431 L491Q178-Q220 VanDerWaalsContact CD-OE1 3.28Å; D217-Q220 PolarHBondContact O-N 2.64Å; R218-Q220 PolarHBondContact O-N 3.04Å; R218-Q220 VanDerWaalsContact O-N 3.09Å; Q220-W431 HydrophobicContact CB-CE3 4.26Å; Q220-W431 HydrophobicContact CG-CE3 4.36Å; Q220-L491 VanDerWaalsContact CD-CD2 3.47Å; Q220-L491 HydrophobicContact CG-CD2 3.75Å
221D93.7Very high95.2Very high4 Ų44.8 Ų4.82%0.0213%0.025CC..  trans-133.283.3178.6-175.9-5.8000110.8R218 V223 T224 L441 L491R218-D221 VanDerWaalsContact CD-O 3.22Å; R218-D221 WeakPolarHBondContact CD-O 3.46Å; R218-D221 PolarHBondContact NH1-O 3.38Å; R218-D221 VanDerWaalsContact NH1-O 3.11Å; R218-D221 CarbonylContact O-C 3.59Å; R218-D221 VanDerWaalsContact O-C 3.23Å; R218-D221 PolarHBondContact O-N 2.71Å; D221-V223 PolarHBondContact OD1-N 3.21Å; D221-T224 WeakPolarHBondContact OD1-CB 3.4Å; D221-T224 PolarHBondContact OD1-N 2.76Å; D221-T224 PolarHBondContact OD1-OG1 2.69Å; D221-T224 VanDerWaalsContact OD1-OG1 3.05Å; D221-T224 WeakPolarHBondContact OD2-CB 3.3Å; D221-T224 PolarHBondContact OD2-OG1 2.88Å; D221-L441 HydrophobicContact CB-CD1 3.9Å; D221-L441 WeakPolarHBondContact OD1-CD1 3.25Å; D221-L491 HydrophobicContact CB-CB 4.18Å; D221-L491 HydrophobicContact CB-CD2 4.43Å; D221-L491 PolarHBondContact OD2-N 2.73Å
222T94Very high95.4Very high1 Ų14.7 Ų4.71%0.0062%0.024CC..  trans-92.1-2.1175.759.90000112.9L226 Y429 S430 F571T222-L226 VanDerWaalsContact O-CD1 3.32Å; T222-L226 WeakPolarHBondContact O-CD1 3.18Å; T222-L226 WeakPolarHBondContact O-CG 3.33Å; T222-Y429 HydrophobicContact CG2-CD1 3.76Å; T222-Y429 HydrophobicContact CG2-CE1 3.79Å; T222-S430 WeakPolarHBondContact CB-OG 3.31Å; T222-S430 VanDerWaalsContact CG2-OG 3.3Å; T222-S430 WeakPolarHBondContact CG2-OG 3.45Å; T222-S430 PolarHBondContact OG1-OG 3.07Å; T222-F571 HydrophobicContact CG2-CZ 3.89Å
223V94.6Very high95.5Very high0 Ų05.3 Ų5.30%03%0.026CC..SBendtrans-82.9-48178.2167.60000110.3D221 L226 L227 V359 L391 L394 L441 F442D221-V223 PolarHBondContact OD1-N 3.21Å; V223-L226 PolarHBondContact O-N 3.02Å; V223-L227 HydrophobicContact CG1-CD1 3.81Å; V223-L227 HydrophobicContact CG1-CG 4.12Å; V223-L227 PolarHBondContact O-N 3.37Å; V223-V359 HydrophobicContact CG1-CG1 3.93Å; V223-V359 HydrophobicContact CG1-CG2 3.78Å; V223-L391 HydrophobicContact CG1-CD2 4.1Å; V223-L391 HydrophobicContact CG2-CD2 4.43Å; V223-L394 HydrophobicContact CG2-CD1 3.97Å; V223-L441 HydrophobicContact CB-CD1 4.19Å; V223-L441 HydrophobicContact CB-CD2 4.39Å; V223-L441 HydrophobicContact CB-CG 4.28Å; V223-L441 HydrophobicContact CG2-CD1 4.31Å; V223-L441 HydrophobicContact CG2-CD2 3.68Å; V223-L441 HydrophobicContact CG2-CG 3.87Å; V223-F442 HydrophobicContact CG2-CE1 3.85Å; V223-F442 HydrophobicContact CG2-CZ 3.93Å
224T96.1Very high95.6Very high2 Ų25.3 Ų5.31%0.0123%0.026CC..G310 helixtrans-51.9-46.3-176.2-66.10000113.7D221 L226 H488 P490 T539 E542D221-T224 WeakPolarHBondContact OD1-CB 3.4Å; D221-T224 PolarHBondContact OD1-N 2.76Å; D221-T224 PolarHBondContact OD1-OG1 2.69Å; D221-T224 VanDerWaalsContact OD1-OG1 3.05Å; D221-T224 WeakPolarHBondContact OD2-CB 3.3Å; D221-T224 PolarHBondContact OD2-OG1 2.88Å; T224-L226 VanDerWaalsContact C-N 3.25Å; T224-L226 PolarHBondContact O-N 2.76Å; T224-H488 PolarHBondContact OG1-CE1 3.41Å; T224-H488 VanDerWaalsContact OG1-CE1 3.26Å; T224-P490 HydrophobicContact CG2-CB 4.1Å; T224-P490 HydrophobicContact CG2-CG 3.94Å; T224-T539 HydrophobicContact CG2-CG2 4.19Å; T224-T539 WeakPolarHBondContact CG2-OG1 3.43Å; T224-E542 HydrophobicContact CG2-CG 3.94Å
225P97.2Very high95.5Very high0 Ų05.4 Ų5.40%03%0.027CC..G310 helixtrans-68.9-18.3178.7-16.730000114.8T539 S568 F571P225-T539 HydrophobicContact CB-CG2 3.93Å; P225-T539 HydrophobicContact CG-CG2 3.87Å; P225-S568 WeakPolarHBondContact O-CA 3.27Å; P225-S568 WeakPolarHBondContact O-CB 3.36Å; P225-S568 PolarHBondContact O-N 3.2Å; P225-F571 HydrophobicContact CB-CB 3.85Å; P225-F571 HydrophobicContact CB-CD1 3.65Å; P225-F571 HydrophobicContact CB-CD2 4.14Å; P225-F571 HydrophobicContact CB-CE1 4.24Å; P225-F571 HydrophobicContact CB-CG 3.59Å; P225-F571 HydrophobicContact CG-CD1 4.19Å; P225-F571 HydrophobicContact CG-CD2 4.1Å; P225-F571 HydrophobicContact CG-CE1 4.36Å; P225-F571 HydrophobicContact CG-CE2 4.3Å; P225-F571 HydrophobicContact CG-CG 4.05Å; P225-F571 HydrophobicContact CG-CZ 4.43Å
226L97.4Very high95.5Very high0 Ų05.4 Ų5.40%03%0.027CC..G310 helixtrans-92.5-13.2-176.7-65.4178.7000113.5T222 V223 T224 R387 L390 L391 L394 L426 F571 L572T222-L226 VanDerWaalsContact O-CD1 3.32Å; T222-L226 WeakPolarHBondContact O-CD1 3.18Å; T222-L226 WeakPolarHBondContact O-CG 3.33Å; V223-L226 PolarHBondContact O-N 3.02Å; T224-L226 VanDerWaalsContact C-N 3.25Å; T224-L226 PolarHBondContact O-N 2.76Å; L226-R387 PolarHBondContact O-NH1 3.11Å; L226-L390 HydrophobicContact CD1-CB 4.25Å; L226-L391 HydrophobicContact CB-CD2 3.83Å; L226-L391 HydrophobicContact CB-CG 4.14Å; L226-L391 HydrophobicContact CD1-CD2 4.28Å; L226-L394 HydrophobicContact CD1-CD1 4.01Å; L226-L426 HydrophobicContact CD1-CD2 3.71Å; L226-F571 HydrophobicContact CD1-CE1 4.4Å; L226-F571 HydrophobicContact CD2-CD1 3.81Å; L226-F571 HydrophobicContact CD2-CE1 4.03Å; L226-F571 HydrophobicContact CG-CD1 4.15Å; L226-F571 HydrophobicContact CG-CE1 4Å; L226-L572 HydrophobicContact CD2-CD1 4.22Å; L226-L572 HydrophobicContact CD2-CD2 3.82Å; L226-L572 HydrophobicContact CD2-CG 3.96Å
227L96.2Very high95.5Very high7 Ų75.6 Ų5.64%0.0373%0.028CC..SBendtrans-81.9146.1-179.7-69.2174.1000111.9V223 Q229 E355 V359 L391 H488V223-L227 HydrophobicContact CG1-CD1 3.81Å; V223-L227 HydrophobicContact CG1-CG 4.12Å; V223-L227 PolarHBondContact O-N 3.37Å; L227-Q229 WeakPolarHBondContact O-CG 3.47Å; L227-Q229 PolarHBondContact O-N 3Å; L227-E355 HydrophobicContact CD2-CB 3.74Å; L227-E355 HydrophobicContact CD2-CG 4.43Å; L227-V359 HydrophobicContact CD2-CG2 4Å; L227-L391 HydrophobicContact CD2-CD1 3.9Å; L227-L391 HydrophobicContact CD2-CD2 4.29Å; L227-H488 HydrophobicContact CD1-CB 3.86Å; L227-H488 VanDerWaalsContact CD1-CG 3.41Å; L227-H488 VanDerWaalsContact CD1-ND1 3.28Å; L227-H488 WeakPolarHBondContact CD1-ND1 3.18Å
228S94.8Very high95.6Very high15 Ų156.7 Ų6.711%0.1053%0.033CC..PPolyproline II helixtrans-61.5129.5170.9-56.90000110.5E355S228-E355 WeakPolarHBondContact CB-OE2 3.4Å; S228-E355 PolarHBondContact N-OE2 3.44Å; S228-E355 VanDerWaalsContact OG-CD 3.29Å; S228-E355 PolarHBondContact OG-OE1 3.11Å; S228-E355 VanDerWaalsContact OG-OE1 3.13Å; S228-E355 PolarHBondContact OG-OE2 3.29Å
229Q94.1Very high95.7Very high7 Ų78.9 Ų8.93%0.0334%0.044CC..PPolyproline II helixtrans-103.4128.2-175.8-53.6-176.410.100110.3L227 A234 M235 E541L227-Q229 WeakPolarHBondContact O-CG 3.47Å; L227-Q229 PolarHBondContact O-N 3Å; Q229-A234 HydrophobicContact CB-CB 3.68Å; Q229-A234 VanDerWaalsContact OE1-CB 3.32Å; Q229-M235 WeakPolarHBondContact O-CA 3.36Å; Q229-M235 VanDerWaalsContact O-CB 3.28Å; Q229-M235 WeakPolarHBondContact O-CB 3.27Å; Q229-E541 HydrophobicContact CG-CB 4.23Å
230W94.8Very high95.9Very high7 Ų79.8 Ų9.83%0.0275%0.051CC..  trans-117.36.1-167.8-68.7106.8000115.1M235 N279 F280 V343 L348 L349 S352 T486W230-M235 HydrophobicContact CE3-SD 4.07Å; W230-M235 HydrophobicContact CZ3-SD 4.24Å; W230-N279 CarbonylContact O-C 3.54Å; W230-N279 VanDerWaalsContact O-CA 3.3Å; W230-N279 WeakPolarHBondContact O-CA 3.18Å; W230-F280 HydrophobicContact CE3-CB 3.92Å; W230-F280 AromaticContact CE3-CD1 3.94Å; W230-F280 HydrophobicContact CE3-CD1 3.94Å; W230-F280 HydrophobicContact CE3-CG 4.09Å; W230-F280 AromaticContact CZ3-CD1 3.69Å; W230-F280 HydrophobicContact CZ3-CD1 3.69Å; W230-F280 HydrophobicContact CZ3-CE1 4.14Å; W230-F280 HydrophobicContact CZ3-CG 4.22Å; W230-F280 PolarHBondContact O-N 3.32Å; W230-V343 HydrophobicContact CH2-CG1 4Å; W230-V343 HydrophobicContact CH2-CG2 4.17Å; W230-V343 HydrophobicContact CZ3-CG1 4.21Å; W230-V343 HydrophobicContact CZ3-CG2 3.97Å; W230-L348 HydrophobicContact CH2-CB 4.25Å; W230-L349 HydrophobicContact CH2-CD2 3.38Å; W230-L349 HydrophobicContact CH2-CG 4.01Å; W230-L349 HydrophobicContact CZ2-CD2 3.74Å; W230-L349 HydrophobicContact CZ2-CG 4.48Å; W230-L349 HydrophobicContact CZ3-CD2 3.92Å; W230-S352 PolarHBondContact NE1-OG 3.07Å; W230-T486 HydrophobicContact CB-CG2 4.01Å; W230-T486 HydrophobicContact CG-CG2 4.47Å
231T94.5Very high96.2Very high10 Ų109.8 Ų9.86%0.0616%0.055CC..BIsolated β-bridgetrans-87.8149.216557.30000111E233 A234 M235 F277 S278T231-E233 PolarHBondContact O-N 3.19Å; T231-A234 WeakPolarHBondContact O-CB 3.47Å; T231-A234 PolarHBondContact O-N 3.37Å; T231-A234 VanDerWaalsContact O-N 3.16Å; T231-A234 VanDerWaalsContact OG1-CB 3.22Å; T231-A234 WeakPolarHBondContact OG1-CB 2.89Å; T231-M235 VanDerWaalsContact O-CB 3.28Å; T231-M235 WeakPolarHBondContact O-CB 2.93Å; T231-M235 PolarHBondContact O-N 2.96Å; T231-F277 WeakPolarHBondContact CG2-O 3.49Å; T231-S278 CarbonylContact C-O 3.5Å; T231-S278 WeakPolarHBondContact CA-O 3.25Å
232Y96.6Very high96.3Very high0 Ų010 Ų100%06%0.056CC..Hα-helixtrans-52-55.5-167.4-178.1-141.1000114.4A234 M235 V236 Y272 Q276 S278 I283 H332 L339Y232-A234 PolarHBondContact O-N 3.27Å; Y232-M235 PolarHBondContact O-N 3.18Å; Y232-V236 HydrophobicContact CD2-CG2 4Å; Y232-V236 HydrophobicContact CE2-CG2 3.72Å; Y232-V236 VanDerWaalsContact O-CG2 3.31Å; Y232-V236 WeakPolarHBondContact O-CG2 3.21Å; Y232-V236 PolarHBondContact O-N 2.97Å; Y232-Y272 HydrophobicContact CD1-CD2 4.15Å; Y232-Y272 HydrophobicContact CD1-CE2 4.21Å; Y232-Y272 AromaticContact CE1-CD2 3.8Å; Y232-Y272 HydrophobicContact CE1-CD2 3.8Å; Y232-Y272 HydrophobicContact CE1-CE2 4.11Å; Y232-Q276 PolarHBondContact N-O 3.09Å; Y232-S278 PolarHBondContact N-O 3.47Å; Y232-I283 HydrophobicContact CD1-CD1 3.73Å; Y232-I283 HydrophobicContact CD1-CG1 4.1Å; Y232-I283 HydrophobicContact CD2-CD1 4.42Å; Y232-I283 HydrophobicContact CD2-CG1 3.91Å; Y232-I283 HydrophobicContact CE1-CD1 3.94Å; Y232-I283 HydrophobicContact CE1-CG1 4.42Å; Y232-I283 HydrophobicContact CE2-CG1 4.26Å; Y232-I283 HydrophobicContact CG-CB 4.49Å; Y232-I283 HydrophobicContact CG-CD1 3.99Å; Y232-I283 HydrophobicContact CG-CG1 3.84Å; Y232-H332 AromaticContact CE1-ND1 3.81Å; Y232-H332 AromaticContact CZ-ND1 3.75Å; Y232-H332 PolarHBondContact OH-ND1 2.96Å; Y232-L339 HydrophobicContact CD2-CD1 4.2Å; Y232-L339 HydrophobicContact CE2-CD1 3.84Å
233E97.8Very high96.3Very high15 Ų1514.3 Ų14.37%0.078%0.082CC..Hα-helixtrans-58-49.3177.8172.1168-108.300112.1T231 M235 V236 H237 I242 Y272 Q276 Y540T231-E233 PolarHBondContact O-N 3.19Å; E233-M235 VanDerWaalsContact C-N 3.35Å; E233-M235 PolarHBondContact O-N 3.14Å; E233-V236 PolarHBondContact O-N 2.91Å; E233-H237 PolarHBondContact O-N 3.03Å; E233-I242 HydrophobicContact CG-CD1 4.33Å; E233-Y272 VanDerWaalsContact CB-OH 3.28Å; E233-Y272 WeakPolarHBondContact CB-OH 3.33Å; E233-Y272 VanDerWaalsContact CD-OH 3.23Å; E233-Y272 WeakPolarHBondContact CG-OH 3.43Å; E233-Y272 PolarHBondContact OE1-OH 2.93Å; E233-Q276 HydrophobicContact CB-CB 4.35Å; E233-Q276 WeakPolarHBondContact CB-O 3.38Å; E233-Q276 PolarHBondContact N-O 3.29Å; E233-Y540 HydrophobicContact CG-CD1 3.43Å; E233-Y540 VanDerWaalsContact CG-CD1 3.43Å; E233-Y540 HydrophobicContact CG-CD2 4.25Å; E233-Y540 HydrophobicContact CG-CE1 3.68Å; E233-Y540 HydrophobicContact CG-CE2 4.46Å; E233-Y540 HydrophobicContact CG-CG 3.74Å; E233-Y540 VanDerWaalsContact OE2-CD1 3.26Å; E233-Y540 WeakPolarHBondContact OE2-CD1 3.44Å
234A97.6Very high96.1Very high0 Ų015.9 Ų15.90%09%0.089CC..Hα-helixtrans-61.2-42.5-178.700000112.5Q229 T231 Y232 H237 E238Q229-A234 HydrophobicContact CB-CB 3.68Å; Q229-A234 VanDerWaalsContact OE1-CB 3.32Å; T231-A234 WeakPolarHBondContact O-CB 3.47Å; T231-A234 PolarHBondContact O-N 3.37Å; T231-A234 VanDerWaalsContact O-N 3.16Å; T231-A234 VanDerWaalsContact OG1-CB 3.22Å; T231-A234 WeakPolarHBondContact OG1-CB 2.89Å; Y232-A234 PolarHBondContact O-N 3.27Å; A234-H237 PolarHBondContact O-N 3.31Å; A234-E238 WeakPolarHBondContact O-CB 3.45Å; A234-E238 PolarHBondContact O-N 2.98Å
235M97.3Very high96Very high2 Ų216.2 Ų16.21%0.019%0.091CC..Hα-helixtrans-69.7-37.2178.2-169.6-174.451.600112Q229 W230 T231 Y232 E233 L239 F280 L339Q229-M235 WeakPolarHBondContact O-CA 3.36Å; Q229-M235 VanDerWaalsContact O-CB 3.28Å; Q229-M235 WeakPolarHBondContact O-CB 3.27Å; W230-M235 HydrophobicContact CE3-SD 4.07Å; W230-M235 HydrophobicContact CZ3-SD 4.24Å; T231-M235 VanDerWaalsContact O-CB 3.28Å; T231-M235 WeakPolarHBondContact O-CB 2.93Å; T231-M235 PolarHBondContact O-N 2.96Å; Y232-M235 PolarHBondContact O-N 3.18Å; E233-M235 VanDerWaalsContact C-N 3.35Å; E233-M235 PolarHBondContact O-N 3.14Å; M235-L239 HydrophobicContact CG-CD1 3.82Å; M235-L239 HydrophobicContact CG-CG 4.28Å; M235-L239 WeakPolarHBondContact O-CB 3.42Å; M235-L239 WeakPolarHBondContact O-CG 3.27Å; M235-L239 PolarHBondContact O-N 3.37Å; M235-F280 HydrophobicContact CE-CD2 3.28Å; M235-F280 HydrophobicContact CE-CE2 3.67Å; M235-F280 HydrophobicContact CE-CG 4.21Å; M235-F280 HydrophobicContact SD-CB 4.27Å; M235-F280 HydrophobicContact SD-CD2 3.43Å; M235-F280 WeakPolarHBondContact SD-CD2 3.42Å; M235-F280 HydrophobicContact SD-CE2 3.77Å; M235-F280 HydrophobicContact SD-CG 3.88Å; M235-L339 HydrophobicContact CE-CB 4.13Å; M235-L339 HydrophobicContact CE-CD1 3.51Å; M235-L339 HydrophobicContact CE-CD2 4.09Å; M235-L339 HydrophobicContact CE-CG 4.11Å; M235-L339 HydrophobicContact CG-CD2 4.15Å
236V97.9Very high95.8Very high0 Ų020.7 Ų20.70%011%0.108CC..Hα-helixtrans-61.2-46.5171.8173.10000110.2Y232 E233 I240 G241 I242 V247 L264 L339Y232-V236 HydrophobicContact CD2-CG2 4Å; Y232-V236 HydrophobicContact CE2-CG2 3.72Å; Y232-V236 VanDerWaalsContact O-CG2 3.31Å; Y232-V236 WeakPolarHBondContact O-CG2 3.21Å; Y232-V236 PolarHBondContact O-N 2.97Å; E233-V236 PolarHBondContact O-N 2.91Å; V236-I240 WeakPolarHBondContact O-CA 3.39Å; V236-I240 WeakPolarHBondContact O-CB 3.49Å; V236-I240 PolarHBondContact O-N 3.43Å; V236-G241 PolarHBondContact O-N 2.95Å; V236-I242 HydrophobicContact CB-CD1 4.28Å; V236-I242 HydrophobicContact CG1-CD1 4.02Å; V236-I242 HydrophobicContact CG1-CG1 3.89Å; V236-V247 HydrophobicContact CG1-CG1 4.22Å; V236-V247 HydrophobicContact CG1-CG2 3.84Å; V236-L264 HydrophobicContact CG1-CD1 3.99Å; V236-L339 HydrophobicContact CG2-CD1 3.81Å; V236-L339 HydrophobicContact CG2-CD2 4.37Å
237H98Very high95.8Very high7 Ų720.8 Ų20.83%0.03211%0.109CC..Hα-helixtrans-66.3-39179.4-171.767.8000113.3E233 A234 G241 I242 Y540 V565 H566 N567E233-H237 PolarHBondContact O-N 3.03Å; A234-H237 PolarHBondContact O-N 3.31Å; H237-G241 VanDerWaalsContact O-CA 3.27Å; H237-G241 WeakPolarHBondContact O-CA 3.49Å; H237-G241 PolarHBondContact O-N 3.4Å; H237-I242 HydrophobicContact CB-CB 4.37Å; H237-I242 HydrophobicContact CB-CD1 3.91Å; H237-I242 HydrophobicContact CB-CG1 3.94Å; H237-I242 PolarHBondContact CE1-O 3.05Å; H237-I242 VanDerWaalsContact CE1-O 3.27Å; H237-I242 WeakPolarHBondContact ND1-CB 3.34Å; H237-I242 PolarHBondContact ND1-N 3.42Å; H237-I242 PolarHBondContact ND1-O 3.28Å; H237-Y540 HydrophobicContact CB-CD2 3.43Å; H237-Y540 VanDerWaalsContact CB-CD2 3.43Å; H237-Y540 HydrophobicContact CB-CE2 3.66Å; H237-Y540 AromaticContact CD2-CD2 3.66Å; H237-Y540 AromaticContact CD2-CE2 3.9Å; H237-Y540 AromaticContact CG-CD2 3.49Å; H237-Y540 VanDerWaalsContact CG-CD2 3.49Å; H237-Y540 AromaticContact CG-CE2 3.48Å; H237-Y540 VanDerWaalsContact CG-CE2 3.48Å; H237-Y540 AromaticContact ND1-CE2 3.71Å; H237-V565 PolarHBondContact NE2-O 3.13Å; H237-H566 VanDerWaalsContact NE2-C 3.29Å; H237-N567 PolarHBondContact NE2-N 3.4Å; H237-N567 VanDerWaalsContact NE2-N 3.16Å; H237-N567 PolarHBondContact O-ND2 3.24Å
238E97.6Very high95.8Very high24 Ų2423.5 Ų23.511%0.11213%0.128CC..Hα-helixtrans-67.4-47.3178.9-177.756.1-151.300112A234 N567 S568A234-E238 WeakPolarHBondContact O-CB 3.45Å; A234-E238 PolarHBondContact O-N 2.98Å; E238-N567 VanDerWaalsContact OE2-CB 3.3Å; E238-N567 WeakPolarHBondContact OE2-CB 3.29Å; E238-S568 WeakPolarHBondContact OE1-CB 3.4Å; E238-S568 PolarHBondContact OE1-OG 3.46Å; E238-S568 PolarHBondContact OE2-N 3.18Å
239L96.4Very high95.7Very high46 Ų4622.9 Ų22.924%0.24112%0.124CC..Hα-helixtrans-91.4-25.9-170.9-57.8-174.9000114.4M235 L339 I342 V343 L348M235-L239 HydrophobicContact CG-CD1 3.82Å; M235-L239 HydrophobicContact CG-CG 4.28Å; M235-L239 WeakPolarHBondContact O-CB 3.42Å; M235-L239 WeakPolarHBondContact O-CG 3.27Å; M235-L239 PolarHBondContact O-N 3.37Å; L239-L339 HydrophobicContact CB-CD2 4.2Å; L239-L339 HydrophobicContact CD1-CD2 4.02Å; L239-I342 HydrophobicContact CB-CD1 4.37Å; L239-I342 HydrophobicContact CB-CG2 4.39Å; L239-I342 HydrophobicContact CD1-CG2 4.17Å; L239-I342 HydrophobicContact CD2-CG2 4.34Å; L239-V343 HydrophobicContact CD1-CG2 3.93Å; L239-L348 HydrophobicContact CD1-CD1 3.96Å; L239-L348 HydrophobicContact CD2-CD1 3.48Å; L239-L348 VanDerWaalsContact CD2-CD1 3.48Å; L239-L348 HydrophobicContact CG-CD1 4.4Å
240I96.6Very high95.6Very high42 Ų4225.9 Ų25.922%0.21515%0.145CC..THydrogen-bonded Turntrans-122.4-42.5-174.1-52.2178.2000110.5V236 V247 L249 L335 E338 L339 I342V236-I240 WeakPolarHBondContact O-CA 3.39Å; V236-I240 WeakPolarHBondContact O-CB 3.49Å; V236-I240 PolarHBondContact O-N 3.43Å; I240-V247 HydrophobicContact CB-CG1 4.36Å; I240-V247 HydrophobicContact CG2-CG1 3.57Å; I240-L249 HydrophobicContact CD1-CD2 3.87Å; I240-L249 HydrophobicContact CG2-CD2 3.86Å; I240-L335 HydrophobicContact CD1-CD2 4.31Å; I240-E338 HydrophobicContact CD1-CG 4.19Å; I240-L339 HydrophobicContact CD1-CD2 3.92Å; I240-L339 HydrophobicContact CD1-CG 4.23Å; I240-L339 HydrophobicContact CG1-CD2 4.29Å; I240-I342 HydrophobicContact CG1-CD1 4.26Å
241G96.6Very high95.2Very high16 Ų1633.3 Ų33.317%0.16517%0.173CC..  trans102.4141.3-175.100000112.2V236 H237V236-G241 PolarHBondContact O-N 2.95Å; H237-G241 VanDerWaalsContact O-CA 3.27Å; H237-G241 WeakPolarHBondContact O-CA 3.49Å; H237-G241 PolarHBondContact O-N 3.4Å
242I96.9Very high94.9Very high10 Ų1033.3 Ų33.35%0.05118%0.175CC..  trans-126.1128.9171.7-56.9175.9000106.7E233 V236 H237 R246 V247 Y540E233-I242 HydrophobicContact CG-CD1 4.33Å; V236-I242 HydrophobicContact CB-CD1 4.28Å; V236-I242 HydrophobicContact CG1-CD1 4.02Å; V236-I242 HydrophobicContact CG1-CG1 3.89Å; H237-I242 HydrophobicContact CB-CB 4.37Å; H237-I242 HydrophobicContact CB-CD1 3.91Å; H237-I242 HydrophobicContact CB-CG1 3.94Å; H237-I242 PolarHBondContact CE1-O 3.05Å; H237-I242 VanDerWaalsContact CE1-O 3.27Å; H237-I242 WeakPolarHBondContact ND1-CB 3.34Å; H237-I242 PolarHBondContact ND1-N 3.42Å; H237-I242 PolarHBondContact ND1-O 3.28Å; I242-R246 WeakPolarHBondContact CA-O 3.38Å; I242-V247 HydrophobicContact CG1-CG2 3.88Å; I242-Y540 HydrophobicContact CB-CE2 4.41Å; I242-Y540 HydrophobicContact CD1-CE2 4.07Å
243T93.7Very high94.5Very high90 Ų9036 Ų3655%0.55219%0.192SC*.BIsolated β-bridgetrans-129.2115.6172.3-56.50000107.8N245 R246T243-N245 VanDerWaalsContact C-N 3.31Å; T243-N245 PolarHBondContact O-N 2.94Å; T243-R246 PolarHBondContact N-O 2.72Å; T243-R246 WeakPolarHBondContact O-CA 3.29Å; T243-R246 VanDerWaalsContact O-CB 3.27Å; T243-R246 WeakPolarHBondContact O-CB 3.31Å; T243-R246 PolarHBondContact O-N 2.85Å
244Q90.1Very high93.9Very high33 Ų3342.3 Ų42.315%0.15423%0.226CC..THydrogen-bonded Turntrans50.949.5178.8-61.6157.52.600112.7V37 D139 R246V37-Q244 HydrophobicContact CG2-CB 3.92Å; V37-Q244 HydrophobicContact CG2-CG 4.5Å; D139-Q244 PolarHBondContact OD2-NE2 2.82Å; Q244-R246 PolarHBondContact O-N 3.39Å; Q244-R246 VanDerWaalsContact O-N 3.13Å
245N93.2Very high93.4Very high10 Ų1043.2 Ų43.25%0.05323%0.232CC..THydrogen-bonded Turntrans62.212.4-176-61.9-9.4000115T243 I263 L264T243-N245 VanDerWaalsContact C-N 3.31Å; T243-N245 PolarHBondContact O-N 2.94Å; N245-I263 CarbonylContact O-C 3.56Å; N245-I263 WeakPolarHBondContact O-CA 3.41Å; N245-L264 WeakPolarHBondContact CB-O 3.41Å; N245-L264 PolarHBondContact O-N 2.69Å
246R94.5Very high92.8Very high94 Ų9446 Ų4636%0.35524%0.244SC..EExtended strand (participates in β ladder)trans-103.6140.9175.2-61.9169.8177.3-95.7-3.7111.3I242 T243 Q244 E261 I262 I263I242-R246 WeakPolarHBondContact CA-O 3.38Å; T243-R246 PolarHBondContact N-O 2.72Å; T243-R246 WeakPolarHBondContact O-CA 3.29Å; T243-R246 VanDerWaalsContact O-CB 3.27Å; T243-R246 WeakPolarHBondContact O-CB 3.31Å; T243-R246 PolarHBondContact O-N 2.85Å; Q244-R246 PolarHBondContact O-N 3.39Å; Q244-R246 VanDerWaalsContact O-N 3.13Å; R246-E261 WeakPolarHBondContact CD-OE1 3.41Å; R246-E261 IonicContact CZ-OE1 3.4Å; R246-E261 IonicContact NE-OE1 2.99Å; R246-E261 IonicContact NH1-OE1 3.71Å; R246-E261 PolarHBondContact NH1-OE1 3.28Å; R246-I262 CarbonylContact C-O 3.59Å; R246-I262 WeakPolarHBondContact CA-O 3.32Å; R246-I263 HydrophobicContact CG-CG1 4.44Å
247V96.5Very high92.2Very high1 Ų150.6 Ų50.61%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-124.9125176.4179.90000109.1V236 I240 I242 L249 E261 I262 L264 L335V236-V247 HydrophobicContact CG1-CG1 4.22Å; V236-V247 HydrophobicContact CG1-CG2 3.84Å; I240-V247 HydrophobicContact CB-CG1 4.36Å; I240-V247 HydrophobicContact CG2-CG1 3.57Å; I242-V247 HydrophobicContact CG1-CG2 3.88Å; V247-L249 HydrophobicContact CG1-CD2 4.18Å; V247-E261 WeakPolarHBondContact O-CA 3.32Å; V247-I262 PolarHBondContact N-O 2.82Å; V247-I262 PolarHBondContact O-N 3.27Å; V247-L264 HydrophobicContact CG2-CD1 3.63Å; V247-L264 HydrophobicContact CG2-CG 4.07Å; V247-L335 HydrophobicContact CG1-CD2 4.02Å
248S95.4Very high91.7Very high64 Ų6456.9 Ų56.945%0.44831%0.306SS..EExtended strand (participates in β ladder)trans-97.5113.4175.5-168.90000111.2S250 K260S248-S250 VanDerWaalsContact C-N 3.32Å; S248-S250 WeakPolarHBondContact OG-CB 3.23Å; S248-S250 PolarHBondContact OG-OG 2.89Å; S248-K260 CarbonylContact C-O 3.53Å; S248-K260 WeakPolarHBondContact CA-O 3.47Å
249L94.4Very high91.2Very high3 Ų356.5 Ų56.52%0.01630%0.304CS..  trans-94.917.4170.2-61.1-173.9000112.6I240 V247 R251 A252 V255 K260 I262 T334 L335 E338I240-L249 HydrophobicContact CD1-CD2 3.87Å; I240-L249 HydrophobicContact CG2-CD2 3.86Å; V247-L249 HydrophobicContact CG1-CD2 4.18Å; L249-R251 PolarHBondContact O-N 2.76Å; L249-R251 VanDerWaalsContact O-N 3.08Å; L249-A252 HydrophobicContact CB-CB 4.21Å; L249-A252 WeakPolarHBondContact O-CB 3.27Å; L249-A252 PolarHBondContact O-N 3.42Å; L249-V255 HydrophobicContact CB-CG1 3.94Å; L249-V255 HydrophobicContact CB-CG2 4.31Å; L249-V255 HydrophobicContact CD1-CG1 4.39Å; L249-K260 PolarHBondContact N-O 2.67Å; L249-I262 HydrophobicContact CD1-CD1 3.44Å; L249-I262 VanDerWaalsContact CD1-CD1 3.44Å; L249-I262 HydrophobicContact CG-CD1 4.12Å; L249-T334 HydrophobicContact CD1-CG2 3.84Å; L249-L335 HydrophobicContact CD1-CD2 4.07Å; L249-L335 HydrophobicContact CD1-CG 4.49Å; L249-L335 HydrophobicContact CD2-CD2 4Å; L249-L335 HydrophobicContact CG-CD2 4.34Å; L249-E338 HydrophobicContact CD2-CG 4.43Å
250S90.7Very high91Very high69 Ų6958.8 Ų58.848%0.48331%0.312SS..THydrogen-bonded Turntrans-56.1-25.7179.155.60000114.1S248 K260S248-S250 VanDerWaalsContact C-N 3.32Å; S248-S250 WeakPolarHBondContact OG-CB 3.23Å; S248-S250 PolarHBondContact OG-OG 2.89Å; S250-K260 PolarHBondContact N-O 3.43Å
251R86Confident90.9Very high163 Ų16361.9 Ų61.962%0.61533%0.326SS*.THydrogen-bonded Turntrans-92.4-13.2179.1-58.6178.3-174.4-170.7-2.2113.7L249 G608L249-R251 PolarHBondContact O-N 2.76Å; L249-R251 VanDerWaalsContact O-N 3.08Å; R251-G608 PolarHBondContact NH2-O 3.07Å
252A89.9Confident90.7Very high11 Ų1161.5 Ų61.59%0.09132%0.32CS..SBendtrans-76.3135.3-178.300000110.1L249 V255 E338L249-A252 HydrophobicContact CB-CB 4.21Å; L249-A252 WeakPolarHBondContact O-CB 3.27Å; L249-A252 PolarHBondContact O-N 3.42Å; A252-V255 HydrophobicContact CB-CB 4.45Å; A252-V255 HydrophobicContact CB-CG2 3.45Å; A252-V255 VanDerWaalsContact CB-CG2 3.45Å; A252-E338 HydrophobicContact CB-CG 3.83Å; A252-E338 WeakPolarHBondContact CB-OE1 3.33Å
253P88.2Confident90.4Very high57 Ų5765.9 Ų65.937%0.3734%0.342SS..THydrogen-bonded Turntrans-68.3142.1-178.728.1-34000111V255P253-V255 PolarHBondContact O-N 3.29Å
254N85.5Confident90.4Very high146 Ų14661.6 Ų61.678%0.78132%0.316SS*.THydrogen-bonded Turntrans55.337.1175.1-50.9-44.8000113.1
255V86.6Confident90.4Very high20 Ų2060.2 Ų60.212%0.12131%0.31CS..  trans-93.1132169.5176.90000109.5L249 A252 P253 L259 K260 T334L249-V255 HydrophobicContact CB-CG1 3.94Å; L249-V255 HydrophobicContact CB-CG2 4.31Å; L249-V255 HydrophobicContact CD1-CG1 4.39Å; A252-V255 HydrophobicContact CB-CB 4.45Å; A252-V255 HydrophobicContact CB-CG2 3.45Å; A252-V255 VanDerWaalsContact CB-CG2 3.45Å; P253-V255 PolarHBondContact O-N 3.29Å; V255-L259 HydrophobicContact CG1-CB 3.91Å; V255-K260 HydrophobicContact CG1-CG 4.5Å; V255-T334 HydrophobicContact CG2-CG2 4.29Å
256K84.4Confident90.4Very high59 Ų5961.5 Ų61.526%0.25731%0.314SS..  trans-65.7151178.3-56.8179.1-168.2161.90110.9E258 L259 K260 R323 D330K256-E258 HydrophobicContact CB-CG 4.11Å; K256-E258 HydrophobicContact CD-CG 4.28Å; K256-E258 WeakPolarHBondContact CD-OE1 3.46Å; K256-E258 IonicContact NZ-OE1 2.62Å; K256-E258 PolarHBondContact NZ-OE1 3.46Å; K256-E258 VanDerWaalsContact NZ-OE1 3.15Å; K256-E258 PolarHBondContact O-N 2.92Å; K256-E258 VanDerWaalsContact O-N 3.17Å; K256-L259 CarbonylContact O-C 3.58Å; K256-L259 PolarHBondContact O-N 3.24Å; K256-K260 PolarHBondContact O-N 3.06Å; K256-K260 VanDerWaalsContact O-N 3.17Å; K256-R323 VanDerWaalsContact CE-NH2 3.29Å; K256-D330 IonicContact NZ-OD2 3.91Å; K256-D330 PolarHBondContact NZ-OD2 2.92Å
257S86Confident90.1Very high98 Ų9859.8 Ų59.869%0.68531%0.31SS*.G310 helixtrans-52.7-39.4178.3-58.60000113.7L259 K260S257-L259 VanDerWaalsContact C-N 3.3Å; S257-L259 PolarHBondContact O-N 3.42Å; S257-K260 PolarHBondContact O-N 2.91Å
258E86.5Confident89.7Confident138 Ų13864.8 Ų64.865%0.64533%0.332SS*.G310 helixtrans-69.8-20.2179.368.8-152-170.900114.6K256K256-E258 HydrophobicContact CB-CG 4.11Å; K256-E258 HydrophobicContact CD-CG 4.28Å; K256-E258 WeakPolarHBondContact CD-OE1 3.46Å; K256-E258 IonicContact NZ-OE1 2.62Å; K256-E258 PolarHBondContact NZ-OE1 3.46Å; K256-E258 VanDerWaalsContact NZ-OE1 3.15Å; K256-E258 PolarHBondContact O-N 2.92Å; K256-E258 VanDerWaalsContact O-N 3.17Å
259L88.3Confident89.5Confident16 Ų1662.5 Ų62.58%0.08432%0.315CS..G310 helixtrans-108.25.8178.9-66.1178000112.4V255 K256 S257 E261 I262 T334V255-L259 HydrophobicContact CG1-CB 3.91Å; K256-L259 CarbonylContact O-C 3.58Å; K256-L259 PolarHBondContact O-N 3.24Å; S257-L259 VanDerWaalsContact C-N 3.3Å; S257-L259 PolarHBondContact O-N 3.42Å; L259-E261 PolarHBondContact O-N 2.98Å; L259-I262 HydrophobicContact CB-CD1 4.42Å; L259-I262 HydrophobicContact CD2-CD1 4.37Å; L259-I262 HydrophobicContact CD2-CG1 4.29Å; L259-T334 HydrophobicContact CD1-CG2 4.28Å
260K92.1Very high89.4Confident94 Ų9467.8 Ų67.841%0.40934%0.339SS..SBendtrans-64.3-26.9174.5-76.3-176.7179.8179.80112.1S248 L249 S250 V255 K256 S257S248-K260 CarbonylContact C-O 3.53Å; S248-K260 WeakPolarHBondContact CA-O 3.47Å; L249-K260 PolarHBondContact N-O 2.67Å; S250-K260 PolarHBondContact N-O 3.43Å; V255-K260 HydrophobicContact CG1-CG 4.5Å; K256-K260 PolarHBondContact O-N 3.06Å; K256-K260 VanDerWaalsContact O-N 3.17Å; S257-K260 PolarHBondContact O-N 2.91Å
261E92.8Very high89.6Confident108 Ų10865.6 Ų65.651%0.50532%0.321SS..EExtended strand (participates in β ladder)trans-132.1123173.3-167.1-179.4170.500108.6R246 V247 L259R246-E261 WeakPolarHBondContact CD-OE1 3.41Å; R246-E261 IonicContact CZ-OE1 3.4Å; R246-E261 IonicContact NE-OE1 2.99Å; R246-E261 IonicContact NH1-OE1 3.71Å; R246-E261 PolarHBondContact NH1-OE1 3.28Å; V247-E261 WeakPolarHBondContact O-CA 3.32Å; L259-E261 PolarHBondContact O-N 2.98Å
262I92.8Very high90.1Very high8 Ų858 Ų584%0.04129%0.292CS..EExtended strand (participates in β ladder)trans-121.7139.4-175.7-65.9168.1000108.1R246 V247 L249 L259 L264 T331 L335R246-I262 CarbonylContact C-O 3.59Å; R246-I262 WeakPolarHBondContact CA-O 3.32Å; V247-I262 PolarHBondContact N-O 2.82Å; V247-I262 PolarHBondContact O-N 3.27Å; L249-I262 HydrophobicContact CD1-CD1 3.44Å; L249-I262 VanDerWaalsContact CD1-CD1 3.44Å; L249-I262 HydrophobicContact CG-CD1 4.12Å; L259-I262 HydrophobicContact CB-CD1 4.42Å; L259-I262 HydrophobicContact CD2-CD1 4.37Å; L259-I262 HydrophobicContact CD2-CG1 4.29Å; I262-L264 HydrophobicContact CG2-CD2 4.1Å; I262-L264 HydrophobicContact CG2-CG 4.2Å; I262-T331 HydrophobicContact CD1-CG2 4.29Å; I262-T331 HydrophobicContact CG2-CG2 3.5Å; I262-L335 HydrophobicContact CD1-CD1 4.42Å; I262-L335 HydrophobicContact CD1-CD2 4.32Å; I262-L335 HydrophobicContact CD1-CG 4.11Å; I262-L335 HydrophobicContact CG2-CD1 4.46Å
263I91.1Very high90.3Very high101 Ų10160.8 Ų60.852%0.51830%0.301SS..EExtended strand (participates in β ladder)trans-96.5115.9169.7-59.3174.4000108.1N245 R246N245-I263 CarbonylContact O-C 3.56Å; N245-I263 WeakPolarHBondContact O-CA 3.41Å; R246-I263 HydrophobicContact CG-CG1 4.44Å
264L92.9Very high90.7Very high1 Ų162.4 Ų62.41%0.00531%0.31CS..  trans-101.886.4171.5-70.8-176.4000109.2V236 N245 V247 I262 Y272 T331 L335V236-L264 HydrophobicContact CG1-CD1 3.99Å; N245-L264 WeakPolarHBondContact CB-O 3.41Å; N245-L264 PolarHBondContact O-N 2.69Å; V247-L264 HydrophobicContact CG2-CD1 3.63Å; V247-L264 HydrophobicContact CG2-CG 4.07Å; I262-L264 HydrophobicContact CG2-CD2 4.1Å; I262-L264 HydrophobicContact CG2-CG 4.2Å; L264-Y272 HydrophobicContact CB-CD2 4.49Å; L264-Y272 HydrophobicContact CB-CE1 4.45Å; L264-Y272 HydrophobicContact CB-CE2 4.24Å; L264-Y272 HydrophobicContact CD1-CE2 4.08Å; L264-Y272 HydrophobicContact CD2-CD2 4.1Å; L264-Y272 HydrophobicContact CD2-CE2 4.43Å; L264-T331 HydrophobicContact CD2-CG2 4.41Å; L264-L335 HydrophobicContact CD1-CD1 3.89Å; L264-L335 HydrophobicContact CD2-CD1 3.7Å; L264-L335 HydrophobicContact CG-CD1 4.17Å
265S90.6Very high91.2Very high3 Ų356 Ų562%0.02128%0.275CS..  trans-110.5125.8178.9174.30000110.9E267 F268 D269S265-E267 PolarHBondContact O-N 3.49Å; S265-E267 VanDerWaalsContact O-N 3.13Å; S265-E267 PolarHBondContact OG-N 3.03Å; S265-F268 PolarHBondContact O-N 3.35Å; S265-F268 VanDerWaalsContact OG-CD2 3.29Å; S265-F268 WeakPolarHBondContact OG-CD2 3.34Å; S265-D269 VanDerWaalsContact O-CB 3.25Å; S265-D269 WeakPolarHBondContact O-CB 3.4Å; S265-D269 PolarHBondContact O-N 2.76Å
266R93.1Very high91.6Very high38 Ų3855.3 Ų55.314%0.14327%0.271CS..THydrogen-bonded Turntrans-52.4-33.9170.5-170.6-163.2-176.593.513.3112.1F134 R273 Q276F134-R266 VanDerWaalsContact CZ-NH1 3.31Å; R266-R273 HydrophobicContact CG-CB 3.92Å; R266-R273 HydrophobicContact CG-CG 3.76Å; R266-R273 PolarHBondContact O-NE 2.99Å; R266-R273 PolarHBondContact O-NH2 2.91Å; R266-Q276 VanDerWaalsContact CZ-NE2 3.28Å
267E89.5Confident92.1Very high57 Ų5754 Ų5427%0.26627%0.265SS..THydrogen-bonded Turntrans-82-28.6-171.8-62.5-49137.200114.3Y4 S265 R273Y4-E267 HydrophobicContact CD1-CG 3.92Å; Y4-E267 HydrophobicContact CD2-CG 4.29Å; Y4-E267 HydrophobicContact CE1-CB 4.22Å; Y4-E267 HydrophobicContact CE1-CG 3.51Å; Y4-E267 HydrophobicContact CE2-CG 3.9Å; Y4-E267 HydrophobicContact CG-CG 4.3Å; Y4-E267 VanDerWaalsContact CZ-CG 3.47Å; S265-E267 PolarHBondContact O-N 3.49Å; S265-E267 VanDerWaalsContact O-N 3.13Å; S265-E267 PolarHBondContact OG-N 3.03Å; E267-R273 PolarHBondContact O-NH2 2.91Å; E267-R273 IonicContact OE2-NH2 2.84Å; E267-R273 PolarHBondContact OE2-NH2 2.8Å
268F87.3Confident92.4Very high106 Ų10650.5 Ų50.547%0.46524%0.241SC..THydrogen-bonded Turntrans-107.5-6.2-177.1-53-62.5000113.3S265S265-F268 PolarHBondContact O-N 3.35Å; S265-F268 VanDerWaalsContact OG-CD2 3.29Å; S265-F268 WeakPolarHBondContact OG-CD2 3.34Å
269D91.8Very high92.7Very high16 Ų1646 Ų469%0.08622%0.221CC..  trans-129.5100.6-178.1-168.6-27.6000111.7S265 F271 Y272 R273 H332S265-D269 VanDerWaalsContact O-CB 3.25Å; S265-D269 WeakPolarHBondContact O-CB 3.4Å; S265-D269 PolarHBondContact O-N 2.76Å; D269-F271 VanDerWaalsContact C-N 3.33Å; D269-F271 PolarHBondContact O-N 2.84Å; D269-F271 PolarHBondContact OD1-N 3.17Å; D269-Y272 VanDerWaalsContact CG-CB 3.5Å; D269-Y272 PolarHBondContact O-N 3.43Å; D269-Y272 PolarHBondContact OD1-N 3.23Å; D269-R273 WeakPolarHBondContact O-CB 3.47Å; D269-R273 PolarHBondContact O-N 3.17Å; D269-H332 IonicContact OD1-NE2 3.48Å; D269-H332 PolarHBondContact OD1-NE2 3.25Å; D269-H332 IonicContact OD2-CE1 2.63Å; D269-H332 PolarHBondContact OD2-CE1 2.85Å; D269-H332 IonicContact OD2-NE2 3.66Å; D269-H332 PolarHBondContact OD2-NE2 3.5Å
270E92.5Very high92.7Very high114 Ų11445.7 Ų45.753%0.53322%0.219SC..Hα-helixtrans-65.5-34.6-179.6-178.360-16600112.9R273 T274E270-R273 IonicContact OE2-CZ 2.89Å; E270-R273 IonicContact OE2-NH1 2.67Å; E270-R273 PolarHBondContact OE2-NH1 3.15Å; E270-T274 WeakPolarHBondContact O-CB 3.44Å; E270-T274 PolarHBondContact O-N 3.23Å; E270-T274 PolarHBondContact O-OG1 3.47Å
271F94.4Very high92.4Very high24 Ų2441.2 Ų41.211%0.10520%0.2CC..Hα-helixtrans-68.9-45.2178.6-179.8-88.6000110.1D269 T274 N275 I283 I287 L290 T328 H332D269-F271 VanDerWaalsContact C-N 3.33Å; D269-F271 PolarHBondContact O-N 2.84Å; D269-F271 PolarHBondContact OD1-N 3.17Å; F271-T274 PolarHBondContact O-N 3.39Å; F271-N275 PolarHBondContact O-N 2.91Å; F271-N275 VanDerWaalsContact O-N 3.07Å; F271-N275 PolarHBondContact O-ND2 3.09Å; F271-I283 HydrophobicContact CE1-CD1 3.82Å; F271-I283 HydrophobicContact CZ-CD1 4.01Å; F271-I287 HydrophobicContact CE1-CG1 4.02Å; F271-I287 HydrophobicContact CZ-CG1 3.63Å; F271-L290 HydrophobicContact CD2-CB 4.31Å; F271-L290 HydrophobicContact CD2-CD1 4.02Å; F271-L290 HydrophobicContact CD2-CD2 3.71Å; F271-L290 HydrophobicContact CD2-CG 4.22Å; F271-L290 HydrophobicContact CE2-CB 3.84Å; F271-L290 HydrophobicContact CE2-CD1 4.41Å; F271-L290 HydrophobicContact CE2-CD2 3.74Å; F271-L290 HydrophobicContact CE2-CG 4.19Å; F271-L290 HydrophobicContact CG-CD2 4.12Å; F271-L290 HydrophobicContact CZ-CD2 4.17Å; F271-T328 HydrophobicContact CB-CG2 3.8Å; F271-H332 HydrophobicContact CD1-CB 4.16Å; F271-H332 AromaticContact CD1-CD2 3.18Å; F271-H332 WeakPolarHBondContact CD1-CD2 3.38Å; F271-H332 AromaticContact CD1-CE1 3.87Å; F271-H332 AromaticContact CD1-CG 3.5Å; F271-H332 AromaticContact CD1-ND1 3.91Å; F271-H332 AromaticContact CD1-NE2 3.42Å; F271-H332 WeakPolarHBondContact CD1-NE2 3.34Å; F271-H332 HydrophobicContact CE1-CB 3.89Å; F271-H332 AromaticContact CE1-CD2 3.83Å; F271-H332 AromaticContact CE1-CG 3.67Å; F271-H332 AromaticContact CG-CD2 3.9Å
272Y95.9Very high92.3Very high3 Ų338.7 Ų38.71%0.01219%0.19CC..Hα-helixtrans-58.6-51.2173.2-174.1-109.9000111.1Y232 E233 L264 D269 T274 N275 Q276Y232-Y272 HydrophobicContact CD1-CD2 4.15Å; Y232-Y272 HydrophobicContact CD1-CE2 4.21Å; Y232-Y272 AromaticContact CE1-CD2 3.8Å; Y232-Y272 HydrophobicContact CE1-CD2 3.8Å; Y232-Y272 HydrophobicContact CE1-CE2 4.11Å; E233-Y272 VanDerWaalsContact CB-OH 3.28Å; E233-Y272 WeakPolarHBondContact CB-OH 3.33Å; E233-Y272 VanDerWaalsContact CD-OH 3.23Å; E233-Y272 WeakPolarHBondContact CG-OH 3.43Å; E233-Y272 PolarHBondContact OE1-OH 2.93Å; L264-Y272 HydrophobicContact CB-CD2 4.49Å; L264-Y272 HydrophobicContact CB-CE1 4.45Å; L264-Y272 HydrophobicContact CB-CE2 4.24Å; L264-Y272 HydrophobicContact CD1-CE2 4.08Å; L264-Y272 HydrophobicContact CD2-CD2 4.1Å; L264-Y272 HydrophobicContact CD2-CE2 4.43Å; D269-Y272 VanDerWaalsContact CG-CB 3.5Å; D269-Y272 PolarHBondContact O-N 3.43Å; D269-Y272 PolarHBondContact OD1-N 3.23Å; Y272-T274 PolarHBondContact O-N 2.95Å; Y272-N275 CarbonylContact O-C 3.59Å; Y272-N275 PolarHBondContact O-N 3.44Å; Y272-Q276 HydrophobicContact CE1-CB 4.33Å; Y272-Q276 HydrophobicContact CE2-CB 4.44Å; Y272-Q276 WeakPolarHBondContact O-CA 3.25Å; Y272-Q276 WeakPolarHBondContact O-CB 3.19Å; Y272-Q276 PolarHBondContact O-N 2.87Å
273R95.3Very high92.2Very high69 Ų6938.3 Ų38.326%0.2619%0.188SC..Hα-helixtrans-51.8-42.2178179.8-173.7-70.3143.6-8.8112.6R266 E267 D269 E270 Q276R266-R273 HydrophobicContact CG-CB 3.92Å; R266-R273 HydrophobicContact CG-CG 3.76Å; R266-R273 PolarHBondContact O-NE 2.99Å; R266-R273 PolarHBondContact O-NH2 2.91Å; E267-R273 PolarHBondContact O-NH2 2.91Å; E267-R273 IonicContact OE2-NH2 2.84Å; E267-R273 PolarHBondContact OE2-NH2 2.8Å; D269-R273 WeakPolarHBondContact O-CB 3.47Å; D269-R273 PolarHBondContact O-N 3.17Å; E270-R273 IonicContact OE2-CZ 2.89Å; E270-R273 IonicContact OE2-NH1 2.67Å; E270-R273 PolarHBondContact OE2-NH1 3.15Å; R273-Q276 PolarHBondContact O-NE2 3.49Å
274T95.3Very high92Very high92 Ų9233.5 Ų33.556%0.56416%0.163SC*.Hα-helixtrans-72.9-35.5-179.4-59.30000112.3E270 F271 Y272E270-T274 WeakPolarHBondContact O-CB 3.44Å; E270-T274 PolarHBondContact O-N 3.23Å; E270-T274 PolarHBondContact O-OG1 3.47Å; F271-T274 PolarHBondContact O-N 3.39Å; Y272-T274 PolarHBondContact O-N 2.95Å
275N95.7Very high91.9Very high11 Ų1136.5 Ų36.56%0.05918%0.178CC..Hα-helixtrans-1100.3-169.5-62.4-85.3000115.3F271 Y272 F277 S278 I283 S286F271-N275 PolarHBondContact O-N 2.91Å; F271-N275 VanDerWaalsContact O-N 3.07Å; F271-N275 PolarHBondContact O-ND2 3.09Å; Y272-N275 CarbonylContact O-C 3.59Å; Y272-N275 PolarHBondContact O-N 3.44Å; N275-F277 PolarHBondContact O-N 3.39Å; N275-S278 VanDerWaalsContact O-CB 3.27Å; N275-S278 WeakPolarHBondContact O-CB 3.31Å; N275-S278 PolarHBondContact O-N 2.97Å; N275-S278 PolarHBondContact O-OG 2.69Å; N275-I283 HydrophobicContact CB-CD1 3.55Å; N275-S286 WeakPolarHBondContact OD1-CB 3.36Å; N275-S286 PolarHBondContact OD1-OG 3.29Å
276Q95.6Very high91.8Very high6 Ų638 Ų383%0.02819%0.188CC..THydrogen-bonded Turntrans-52.3-35-174.376.6-154.4-54.700113.8Y232 E233 R266 Y272 R273Y232-Q276 PolarHBondContact N-O 3.09Å; E233-Q276 HydrophobicContact CB-CB 4.35Å; E233-Q276 WeakPolarHBondContact CB-O 3.38Å; E233-Q276 PolarHBondContact N-O 3.29Å; R266-Q276 VanDerWaalsContact CZ-NE2 3.28Å; Y272-Q276 HydrophobicContact CE1-CB 4.33Å; Y272-Q276 HydrophobicContact CE2-CB 4.44Å; Y272-Q276 WeakPolarHBondContact O-CA 3.25Å; Y272-Q276 WeakPolarHBondContact O-CB 3.19Å; Y272-Q276 PolarHBondContact O-N 2.87Å; R273-Q276 PolarHBondContact O-NE2 3.49Å
277F95.1Very high91.6Very high30 Ų3036.1 Ų36.113%0.13218%0.181CC..THydrogen-bonded Turntrans-104.95.9-178.6-53.6-55000113.1F134 T231 N275 V543 H547F134-F277 AromaticContact CE2-CZ 3.95Å; F134-F277 HydrophobicContact CE2-CZ 3.95Å; F134-F277 AromaticContact CZ-CE2 3.94Å; F134-F277 HydrophobicContact CZ-CE2 3.94Å; F134-F277 AromaticContact CZ-CZ 3.73Å; F134-F277 HydrophobicContact CZ-CZ 3.73Å; T231-F277 WeakPolarHBondContact CG2-O 3.49Å; N275-F277 PolarHBondContact O-N 3.39Å; F277-V543 HydrophobicContact CE1-CG1 4.08Å; F277-V543 HydrophobicContact CZ-CG1 4.19Å; F277-H547 HydrophobicContact CD2-CB 3.98Å; F277-H547 AromaticContact CD2-CD2 3.1Å; F277-H547 WeakPolarHBondContact CD2-CD2 3.39Å; F277-H547 AromaticContact CD2-CG 3.47Å; F277-H547 VanDerWaalsContact CD2-CG 3.47Å; F277-H547 AromaticContact CD2-NE2 3.61Å; F277-H547 HydrophobicContact CE1-CB 4.44Å; F277-H547 HydrophobicContact CE2-CB 3.57Å; F277-H547 AromaticContact CE2-CD2 3.32Å; F277-H547 WeakPolarHBondContact CE2-CD2 3.46Å; F277-H547 AromaticContact CE2-CE1 3.88Å; F277-H547 AromaticContact CE2-CG 3.16Å; F277-H547 AromaticContact CE2-ND1 3.54Å; F277-H547 AromaticContact CE2-NE2 3.76Å; F277-H547 HydrophobicContact CZ-CB 3.84Å; F277-H547 AromaticContact CZ-CG 3.94Å
278S93.1Very high91.4Very high26 Ų2634.9 Ų34.918%0.18217%0.174CC..  trans-66.3138.9173.8-66.40000109.4T231 Y232 N275T231-S278 CarbonylContact C-O 3.5Å; T231-S278 WeakPolarHBondContact CA-O 3.25Å; Y232-S278 PolarHBondContact N-O 3.47Å; N275-S278 VanDerWaalsContact O-CB 3.27Å; N275-S278 WeakPolarHBondContact O-CB 3.31Å; N275-S278 PolarHBondContact O-N 2.97Å; N275-S278 PolarHBondContact O-OG 2.69Å
279N91.4Very high91.5Very high43 Ų4333.9 Ų33.923%0.2317%0.171CC..BIsolated β-bridgetrans-67.8164.5173.666.761.8000110.6W230 G281 D282 I283W230-N279 CarbonylContact O-C 3.54Å; W230-N279 VanDerWaalsContact O-CA 3.3Å; W230-N279 WeakPolarHBondContact O-CA 3.18Å; N279-G281 PolarHBondContact O-N 3.31Å; N279-G281 VanDerWaalsContact O-N 3.12Å; N279-G281 WeakPolarHBondContact OD1-CA 3.28Å; N279-G281 PolarHBondContact OD1-N 3.07Å; N279-D282 PolarHBondContact ND2-OD2 3.05Å; N279-D282 PolarHBondContact O-N 2.83Å; N279-D282 PolarHBondContact OD1-N 2.91Å; N279-I283 WeakPolarHBondContact O-CG2 3.2Å; N279-I283 PolarHBondContact O-N 2.71Å
280F89.2Confident91.2Very high9 Ų935 Ų354%0.03918%0.177CC..Hα-helixtrans-54.5-32.3-176.8-172.6-135.8000114.9W230 M235 I283 M336 L339 V343 L470W230-F280 HydrophobicContact CE3-CB 3.92Å; W230-F280 AromaticContact CE3-CD1 3.94Å; W230-F280 HydrophobicContact CE3-CD1 3.94Å; W230-F280 HydrophobicContact CE3-CG 4.09Å; W230-F280 AromaticContact CZ3-CD1 3.69Å; W230-F280 HydrophobicContact CZ3-CD1 3.69Å; W230-F280 HydrophobicContact CZ3-CE1 4.14Å; W230-F280 HydrophobicContact CZ3-CG 4.22Å; W230-F280 PolarHBondContact O-N 3.32Å; M235-F280 HydrophobicContact CE-CD2 3.28Å; M235-F280 HydrophobicContact CE-CE2 3.67Å; M235-F280 HydrophobicContact CE-CG 4.21Å; M235-F280 HydrophobicContact SD-CB 4.27Å; M235-F280 HydrophobicContact SD-CD2 3.43Å; M235-F280 WeakPolarHBondContact SD-CD2 3.42Å; M235-F280 HydrophobicContact SD-CE2 3.77Å; M235-F280 HydrophobicContact SD-CG 3.88Å; F280-I283 HydrophobicContact CD2-CG2 4.45Å; F280-I283 VanDerWaalsContact O-CG2 3.27Å; F280-I283 WeakPolarHBondContact O-CG2 3.48Å; F280-M336 HydrophobicContact CD2-CE 3.49Å; F280-M336 VanDerWaalsContact CD2-CE 3.49Å; F280-M336 HydrophobicContact CD2-SD 4.26Å; F280-M336 HydrophobicContact CE2-CE 3.07Å; F280-M336 HydrophobicContact CE2-SD 3.94Å; F280-M336 HydrophobicContact CZ-CE 3.82Å; F280-L339 HydrophobicContact CE2-CB 4.47Å; F280-V343 HydrophobicContact CE1-CG1 4.12Å; F280-V343 HydrophobicContact CE1-CG2 4.31Å; F280-V343 HydrophobicContact CZ-CB 4.45Å; F280-V343 HydrophobicContact CZ-CG2 4.14Å; F280-L470 HydrophobicContact CD1-CD2 3.44Å; F280-L470 VanDerWaalsContact CD1-CD2 3.44Å; F280-L470 HydrophobicContact CE1-CD2 3.49Å; F280-L470 VanDerWaalsContact CE1-CD2 3.49Å; F280-L470 HydrophobicContact CG-CD2 4.43Å
281G85.9Confident90.8Very high1 Ų129.7 Ų29.71%0.0115%0.152CC..Hα-helixtrans-72.1-48.3174.900000112.3N279 G284 Q285 M467N279-G281 PolarHBondContact O-N 3.31Å; N279-G281 VanDerWaalsContact O-N 3.12Å; N279-G281 WeakPolarHBondContact OD1-CA 3.28Å; N279-G281 PolarHBondContact OD1-N 3.07Å; G281-G284 PolarHBondContact O-N 3.19Å; G281-Q285 PolarHBondContact O-N 2.85Å; G281-M467 WeakPolarHBondContact O-CE 3.18Å
282D89.6Confident90.3Very high54 Ų5431.2 Ų31.229%0.28916%0.16SC..Hα-helixtrans-67.4-41.4-176.3-66.4-19.9000111.8N279 G284 Q285 S286N279-D282 PolarHBondContact ND2-OD2 3.05Å; N279-D282 PolarHBondContact O-N 2.83Å; N279-D282 PolarHBondContact OD1-N 2.91Å; D282-G284 VanDerWaalsContact C-N 3.3Å; D282-G284 PolarHBondContact O-N 2.78Å; D282-Q285 WeakPolarHBondContact O-CB 3.31Å; D282-Q285 PolarHBondContact O-N 3.13Å; D282-S286 PolarHBondContact O-N 3.39Å; D282-S286 PolarHBondContact O-OG 2.82Å
283I90.4Very high89.6Confident0 Ų035 Ų350%018%0.18CC..Hα-helixtrans-59.1-39.8176.7179.763.4000112.1Y232 F271 N275 N279 F280 Q285 S286 I287 M336Y232-I283 HydrophobicContact CD1-CD1 3.73Å; Y232-I283 HydrophobicContact CD1-CG1 4.1Å; Y232-I283 HydrophobicContact CD2-CD1 4.42Å; Y232-I283 HydrophobicContact CD2-CG1 3.91Å; Y232-I283 HydrophobicContact CE1-CD1 3.94Å; Y232-I283 HydrophobicContact CE1-CG1 4.42Å; Y232-I283 HydrophobicContact CE2-CG1 4.26Å; Y232-I283 HydrophobicContact CG-CB 4.49Å; Y232-I283 HydrophobicContact CG-CD1 3.99Å; Y232-I283 HydrophobicContact CG-CG1 3.84Å; F271-I283 HydrophobicContact CE1-CD1 3.82Å; F271-I283 HydrophobicContact CZ-CD1 4.01Å; N275-I283 HydrophobicContact CB-CD1 3.55Å; N279-I283 WeakPolarHBondContact O-CG2 3.2Å; N279-I283 PolarHBondContact O-N 2.71Å; F280-I283 HydrophobicContact CD2-CG2 4.45Å; F280-I283 VanDerWaalsContact O-CG2 3.27Å; F280-I283 WeakPolarHBondContact O-CG2 3.48Å; I283-Q285 VanDerWaalsContact C-N 3.28Å; I283-Q285 PolarHBondContact O-N 3.13Å; I283-S286 WeakPolarHBondContact O-CB 3.48Å; I283-S286 PolarHBondContact O-N 3.39Å; I283-I287 HydrophobicContact CD1-CD1 4.24Å; I283-I287 HydrophobicContact CD1-CG1 4.25Å; I283-I287 HydrophobicContact CG1-CD1 4.03Å; I283-I287 HydrophobicContact CG1-CG1 4.43Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 2.8Å; I283-M336 HydrophobicContact CG1-SD 4.45Å; I283-M336 HydrophobicContact CG2-CE 4.26Å; I283-M336 HydrophobicContact CG2-SD 4Å
284G88.1Confident88.6Confident0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-68-29.5177.800000112.6G281 D282 K288G281-G284 PolarHBondContact O-N 3.19Å; D282-G284 VanDerWaalsContact C-N 3.3Å; D282-G284 PolarHBondContact O-N 2.78Å; G284-K288 PolarHBondContact O-N 2.89Å
285Q89.7Confident87.6Confident65 Ų6529.6 Ų29.630%0.30415%0.151SC..Hα-helixtrans-69.9-43.6172.3-62.8-166.7-39.500110.3G281 D282 I283 I287 K288 Q289 M467G281-Q285 PolarHBondContact O-N 2.85Å; D282-Q285 WeakPolarHBondContact O-CB 3.31Å; D282-Q285 PolarHBondContact O-N 3.13Å; I283-Q285 VanDerWaalsContact C-N 3.28Å; I283-Q285 PolarHBondContact O-N 3.13Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 3.06Å; Q285-K288 WeakPolarHBondContact O-CB 3.26Å; Q285-K288 PolarHBondContact O-N 3.2Å; Q285-Q289 WeakPolarHBondContact O-CB 3.45Å; Q285-Q289 PolarHBondContact O-N 3.5Å; Q285-M467 HydrophobicContact CG-CE 4.23Å
286S90.1Very high86.7Confident33 Ų3336.3 Ų36.323%0.23118%0.18CC..Hα-helixtrans-59.7-40174.8-62.70000112.5N275 D282 I283 Q289 L290N275-S286 WeakPolarHBondContact OD1-CB 3.36Å; N275-S286 PolarHBondContact OD1-OG 3.29Å; D282-S286 PolarHBondContact O-N 3.39Å; D282-S286 PolarHBondContact O-OG 2.82Å; I283-S286 WeakPolarHBondContact O-CB 3.48Å; I283-S286 PolarHBondContact O-N 3.39Å; S286-Q289 PolarHBondContact O-N 2.96Å; S286-L290 VanDerWaalsContact O-CB 3.32Å; S286-L290 WeakPolarHBondContact O-CB 3.33Å; S286-L290 PolarHBondContact O-N 3.41Å
287I88Confident85.5Confident0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-67.3-42.5176.1-71.9173.6000111.3F271 I283 Q285 Q289 L290 V291 L312 H332 V333 M336F271-I287 HydrophobicContact CE1-CG1 4.02Å; F271-I287 HydrophobicContact CZ-CG1 3.63Å; I283-I287 HydrophobicContact CD1-CD1 4.24Å; I283-I287 HydrophobicContact CD1-CG1 4.25Å; I283-I287 HydrophobicContact CG1-CD1 4.03Å; I283-I287 HydrophobicContact CG1-CG1 4.43Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 2.8Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 3.06Å; I287-Q289 VanDerWaalsContact C-N 3.32Å; I287-Q289 PolarHBondContact O-N 2.93Å; I287-L290 WeakPolarHBondContact O-CB 3.36Å; I287-L290 PolarHBondContact O-N 2.85Å; I287-V291 WeakPolarHBondContact O-CG2 3.32Å; I287-V291 PolarHBondContact O-N 3.25Å; I287-L312 HydrophobicContact CG2-CD1 4.1Å; I287-H332 HydrophobicContact CD1-CB 4.29Å; I287-H332 HydrophobicContact CG1-CB 4.42Å; I287-V333 HydrophobicContact CG2-CG2 3.64Å; I287-M336 HydrophobicContact CD1-CB 3.31Å; I287-M336 HydrophobicContact CD1-CG 3.57Å; I287-M336 HydrophobicContact CD1-SD 4.25Å
288K85.7Confident84.2Confident30 Ų3040.1 Ų40.113%0.1322%0.216CC..Hα-helixtrans-58.3-47.8173.9-178.2177.1172.1177.30110.7G284 Q285 L290 V291 E292 T462 T464G284-K288 PolarHBondContact O-N 2.89Å; Q285-K288 WeakPolarHBondContact O-CB 3.26Å; Q285-K288 PolarHBondContact O-N 3.2Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 2.98Å; K288-V291 PolarHBondContact O-N 3.47Å; K288-E292 WeakPolarHBondContact CE-OE1 3.38Å; K288-E292 IonicContact NZ-OE1 2.74Å; K288-E292 WeakPolarHBondContact O-CG 3.39Å; K288-E292 PolarHBondContact O-N 3.36Å; K288-T462 PolarHBondContact NZ-O 2.96Å; K288-T464 HydrophobicContact CD-CG2 4.32Å
289Q88.5Confident82.9Confident85 Ų8548.4 Ų48.440%0.39725%0.249SC..Hα-helixtrans-62-39.1177.3-170.163.158.900112.3Q285 S286 I287 E292 N293Q285-Q289 WeakPolarHBondContact O-CB 3.45Å; Q285-Q289 PolarHBondContact O-N 3.5Å; S286-Q289 PolarHBondContact O-N 2.96Å; I287-Q289 VanDerWaalsContact C-N 3.32Å; I287-Q289 PolarHBondContact O-N 2.93Å; Q289-E292 PolarHBondContact O-N 2.91Å; Q289-N293 PolarHBondContact NE2-OD1 3.49Å; Q289-N293 VanDerWaalsContact O-CB 3.31Å; Q289-N293 WeakPolarHBondContact O-CB 3.03Å; Q289-N293 PolarHBondContact O-N 3.14Å; Q289-N293 PolarHBondContact O-ND2 2.83Å
290L86.6Confident81.3Confident39 Ų3949 Ų4920%0.20426%0.256CS..Hα-helixtrans-59.8-47.2176.2178.868000110.9F271 S286 I287 K288 F294 V329F271-L290 HydrophobicContact CD2-CB 4.31Å; F271-L290 HydrophobicContact CD2-CD1 4.02Å; F271-L290 HydrophobicContact CD2-CD2 3.71Å; F271-L290 HydrophobicContact CD2-CG 4.22Å; F271-L290 HydrophobicContact CE2-CB 3.84Å; F271-L290 HydrophobicContact CE2-CD1 4.41Å; F271-L290 HydrophobicContact CE2-CD2 3.74Å; F271-L290 HydrophobicContact CE2-CG 4.19Å; F271-L290 HydrophobicContact CG-CD2 4.12Å; F271-L290 HydrophobicContact CZ-CD2 4.17Å; S286-L290 VanDerWaalsContact O-CB 3.32Å; S286-L290 WeakPolarHBondContact O-CB 3.33Å; S286-L290 PolarHBondContact O-N 3.41Å; I287-L290 WeakPolarHBondContact O-CB 3.36Å; I287-L290 PolarHBondContact O-N 2.85Å; K288-L290 VanDerWaalsContact C-N 3.32Å; K288-L290 PolarHBondContact O-N 2.98Å; L290-F294 WeakPolarHBondContact O-CB 3.47Å; L290-F294 PolarHBondContact O-N 2.88Å; L290-F294 VanDerWaalsContact O-N 3.09Å; L290-V329 HydrophobicContact CD1-CG2 4.32Å; L290-V329 HydrophobicContact CD2-CB 4.46Å; L290-V329 HydrophobicContact CD2-CG2 3.98Å; L290-V329 HydrophobicContact CG-CG2 3.93Å
291V83.3Confident79.9Confident4 Ų452 Ų522%0.02428%0.275CS..Hα-helixtrans-65.3-44177.8176.70000111.2I287 K288 F294 Q295 L312 V329 V333I287-V291 WeakPolarHBondContact O-CG2 3.32Å; I287-V291 PolarHBondContact O-N 3.25Å; K288-V291 PolarHBondContact O-N 3.47Å; V291-F294 PolarHBondContact O-N 3.45Å; V291-Q295 HydrophobicContact CG1-CG 4.47Å; V291-Q295 VanDerWaalsContact O-CG 3.24Å; V291-Q295 WeakPolarHBondContact O-CG 3.47Å; V291-Q295 PolarHBondContact O-N 3.37Å; V291-L312 HydrophobicContact CB-CD2 4.08Å; V291-L312 HydrophobicContact CG1-CD2 3.85Å; V291-L312 HydrophobicContact CG2-CD1 4.33Å; V291-L312 HydrophobicContact CG2-CD2 4.23Å; V291-V329 HydrophobicContact CG2-CG1 3.87Å; V291-V333 HydrophobicContact CG2-CG2 3.83Å
292E83.9Confident78.7Confident55 Ų5558.3 Ų58.326%0.25731%0.308SS..Hα-helixtrans-63.1-42177.8-73178.3-176.500112.9K288 Q289 Q295 K296K288-E292 WeakPolarHBondContact CE-OE1 3.38Å; K288-E292 IonicContact NZ-OE1 2.74Å; K288-E292 WeakPolarHBondContact O-CG 3.39Å; K288-E292 PolarHBondContact O-N 3.36Å; Q289-E292 PolarHBondContact O-N 2.91Å; E292-Q295 WeakPolarHBondContact O-CB 3.41Å; E292-Q295 PolarHBondContact O-N 2.92Å; E292-K296 WeakPolarHBondContact O-CG 3.45Å; E292-K296 PolarHBondContact O-N 3.1Å
293N81.8Confident77.2Confident83 Ų8357.6 Ų57.644%0.44431%0.306SS..Hα-helixtrans-64.5-42.3177.7-74.9-11000111.4Q289 Q295 K296 A297Q289-N293 PolarHBondContact NE2-OD1 3.49Å; Q289-N293 VanDerWaalsContact O-CB 3.31Å; Q289-N293 WeakPolarHBondContact O-CB 3.03Å; Q289-N293 PolarHBondContact O-N 3.14Å; Q289-N293 PolarHBondContact O-ND2 2.83Å; N293-Q295 VanDerWaalsContact C-N 3.33Å; N293-Q295 PolarHBondContact O-N 2.7Å; N293-K296 PolarHBondContact O-N 3.37Å; N293-A297 PolarHBondContact O-N 2.95Å
294F74.6Confident75.8Confident34 Ų3466 Ų6615%0.14934%0.343CS..Hα-helixtrans-66.2-35.8177.5-169.5-102.1000112.6L290 V291 A297 S298 F322 T325 V329L290-F294 WeakPolarHBondContact O-CB 3.47Å; L290-F294 PolarHBondContact O-N 2.88Å; L290-F294 VanDerWaalsContact O-N 3.09Å; V291-F294 PolarHBondContact O-N 3.45Å; F294-A297 PolarHBondContact O-N 3.06Å; F294-S298 WeakPolarHBondContact O-CB 3.37Å; F294-S298 PolarHBondContact O-N 2.93Å; F294-S298 PolarHBondContact O-OG 3.02Å; F294-F322 AromaticContact CD1-CD1 3.78Å; F294-F322 HydrophobicContact CD1-CD1 3.78Å; F294-F322 HydrophobicContact CD1-CE1 4.39Å; F294-F322 HydrophobicContact CE1-CB 4.11Å; F294-F322 AromaticContact CE1-CD1 3.73Å; F294-F322 HydrophobicContact CE1-CD1 3.73Å; F294-F322 HydrophobicContact CE1-CG 4.3Å; F294-F322 WeakPolarHBondContact CE1-O 3.22Å; F294-F322 WeakPolarHBondContact CZ-O 3.26Å; F294-T325 HydrophobicContact CE2-CG2 4.05Å; F294-T325 HydrophobicContact CZ-CG2 3.73Å; F294-V329 HydrophobicContact CB-CG2 4.49Å; F294-V329 HydrophobicContact CD2-CG2 4.42Å; F294-V329 HydrophobicContact CG-CG2 4.31Å
295Q73.7Confident74.7Confident14 Ų1472.8 Ų72.87%0.06538%0.379CS..Hα-helixtrans-62.7-48.7172.9-75.3167.9-0.400112.4V291 E292 N293 A297 S298 K299 T303 L306 F315 F322V291-Q295 HydrophobicContact CG1-CG 4.47Å; V291-Q295 VanDerWaalsContact O-CG 3.24Å; V291-Q295 WeakPolarHBondContact O-CG 3.47Å; V291-Q295 PolarHBondContact O-N 3.37Å; E292-Q295 WeakPolarHBondContact O-CB 3.41Å; E292-Q295 PolarHBondContact O-N 2.92Å; N293-Q295 VanDerWaalsContact C-N 3.33Å; N293-Q295 PolarHBondContact O-N 2.7Å; Q295-A297 PolarHBondContact O-N 3.01Å; Q295-S298 PolarHBondContact O-N 3.12Å; Q295-K299 PolarHBondContact O-N 2.92Å; Q295-T303 PolarHBondContact OE1-OG1 3.48Å; Q295-L306 VanDerWaalsContact NE2-CD1 3.29Å; Q295-F315 HydrophobicContact CG-CE1 4.3Å; Q295-F315 HydrophobicContact CG-CZ 4.24Å; Q295-F315 VanDerWaalsContact NE2-CE1 3.33Å; Q295-F322 HydrophobicContact CG-CE1 3.98Å
296K76.3Confident73.6Confident151 Ų15171.2 Ų71.266%0.65737%0.372SS*.Hα-helixtrans-55.8-37.9176.4-71.6172.9-175.3171.70111.7E292 N293E292-K296 WeakPolarHBondContact O-CG 3.45Å; E292-K296 PolarHBondContact O-N 3.1Å; N293-K296 PolarHBondContact O-N 3.37Å
297A70.5Confident72.8Confident80 Ų8074.3 Ų74.366%0.66138%0.383SS*.Hα-helixtrans-70.2-32.8175.700000113.3N293 F294 Q295N293-A297 PolarHBondContact O-N 2.95Å; F294-A297 PolarHBondContact O-N 3.06Å; Q295-A297 PolarHBondContact O-N 3.01Å
298S68Low72.4Confident37 Ų3776.3 Ų76.326%0.25940%0.397SS..Hα-helixtrans-85.2-5.2-175.1-57.20000114.6F294 Q295 S300F294-S298 WeakPolarHBondContact O-CB 3.37Å; F294-S298 PolarHBondContact O-N 2.93Å; F294-S298 PolarHBondContact O-OG 3.02Å; Q295-S298 PolarHBondContact O-N 3.12Å; S298-S300 PolarHBondContact O-N 2.9Å; S298-S300 PolarHBondContact O-OG 3.34Å
299K65.6Low72Confident200 Ų20075.9 Ų75.987%0.8740%0.396SS*.THydrogen-bonded Turntrans50.719.7177.4-65.4-173.3179.5179.50116.1Q295Q295-K299 PolarHBondContact O-N 2.92Å
300S58Low71.6Confident54 Ų5473.5 Ų73.538%0.37839%0.394SS..  trans-133.5130.2-173.634.10000110S298 F322S298-S300 PolarHBondContact O-N 2.9Å; S298-S300 PolarHBondContact O-OG 3.34Å; S300-F322 WeakPolarHBondContact O-CZ 3.27Å
301V59.1Low71.3Confident72 Ų7273.9 Ų73.944%0.43640%0.396SS..  trans85.6128.3173-162.90000116.8T303 F315 F319V301-T303 HydrophobicContact CB-CG2 4.5Å; V301-T303 HydrophobicContact CG1-CG2 4.14Å; V301-F315 HydrophobicContact CB-CE2 4.43Å; V301-F315 HydrophobicContact CG1-CE2 4.09Å; V301-F319 HydrophobicContact CB-CZ 4.49Å; V301-F319 HydrophobicContact CG1-CE2 4.42Å; V301-F319 HydrophobicContact CG1-CZ 4.09Å; V301-F319 HydrophobicContact CG2-CD1 4.27Å; V301-F319 HydrophobicContact CG2-CE1 3.56Å; V301-F319 HydrophobicContact CG2-CE2 4.33Å; V301-F319 HydrophobicContact CG2-CZ 3.6Å
302D61Low71.1Confident135 Ų13574 Ų7472%0.72240%0.397SS*.  trans-87.1119.7174.7-155-8.3000109.3
303T59.2Low70.9Confident39 Ų3973.2 Ų73.224%0.23939%0.393CS..  trans-120.726.3-162.553.10000115Q295 V301 N305 L306 F315Q295-T303 PolarHBondContact OE1-OG1 3.48Å; V301-T303 HydrophobicContact CB-CG2 4.5Å; V301-T303 HydrophobicContact CG1-CG2 4.14Å; T303-N305 PolarHBondContact O-N 3.41Å; T303-L306 HydrophobicContact CG2-CD1 3.83Å; T303-L306 HydrophobicContact CG2-CG 4.48Å; T303-L306 PolarHBondContact O-N 3.01Å; T303-L306 VanDerWaalsContact O-N 3.16Å; T303-F315 HydrophobicContact CG2-CE2 3.86Å; T303-F315 HydrophobicContact CG2-CZ 4.25Å
304K60.9Low70.9Confident177 Ų17777.1 Ų77.177%0.7740%0.401SS*.THydrogen-bonded Turntrans-52.7-12.1-179.1-68.4-178.7-178.5173.10115.5
305N63.6Low71Confident141 Ų14176.3 Ų76.375%0.75440%0.397SS*.THydrogen-bonded Turntrans-111.411.5-175.1-60.2-15000115.4T303 E307T303-N305 PolarHBondContact O-N 3.41Å; N305-E307 PolarHBondContact O-N 2.8Å
306L67.6Low71.2Confident32 Ų3275.8 Ų75.817%0.16840%0.395CS..  trans-85.890.6177-62.7179000111.3Q295 T303 D311 L312 F315Q295-L306 VanDerWaalsContact NE2-CD1 3.29Å; T303-L306 HydrophobicContact CG2-CD1 3.83Å; T303-L306 HydrophobicContact CG2-CG 4.48Å; T303-L306 PolarHBondContact O-N 3.01Å; T303-L306 VanDerWaalsContact O-N 3.16Å; L306-D311 HydrophobicContact CD2-CB 3.9Å; L306-L312 HydrophobicContact CB-CD2 4.01Å; L306-L312 HydrophobicContact CD1-CD2 4.07Å; L306-F315 HydrophobicContact CD1-CB 4.33Å; L306-F315 HydrophobicContact CD1-CD1 4.38Å; L306-F315 HydrophobicContact CD1-CD2 4Å; L306-F315 HydrophobicContact CD1-CE2 4.44Å; L306-F315 HydrophobicContact CD1-CG 3.97Å; L306-F315 HydrophobicContact CD2-CB 3.94Å; L306-F315 HydrophobicContact CD2-CD2 4.3Å; L306-F315 HydrophobicContact CD2-CG 4.32Å
307E73Confident71.3Confident99 Ų9972.4 Ų72.446%0.46338%0.381SS..  trans-100.7-41.7-178.1-72.5-161.6-172.200113.8N305 T464N305-E307 PolarHBondContact O-N 2.8Å; E307-T464 HydrophobicContact CB-CG2 3.71Å; E307-T464 HydrophobicContact CG-CG2 4Å; E307-T464 WeakPolarHBondContact O-CB 3.28Å; E307-T464 WeakPolarHBondContact O-CG2 3.1Å; E307-T464 PolarHBondContact O-OG1 2.98Å
308S79.1Confident71.5Confident42 Ų4274.4 Ų74.429%0.29438%0.381SS..SBendtrans-101.5158.4-175.874.50000112.3G310 D311 L312S308-G310 PolarHBondContact O-N 3Å; S308-G310 PolarHBondContact OG-N 3.42Å; S308-D311 WeakPolarHBondContact CB-OD2 3.48Å; S308-D311 PolarHBondContact N-OD2 3.16Å; S308-D311 WeakPolarHBondContact O-CA 3.47Å; S308-D311 WeakPolarHBondContact O-CB 3.39Å; S308-D311 PolarHBondContact O-N 3.26Å; S308-D311 PolarHBondContact OG-N 3.05Å; S308-D311 PolarHBondContact OG-OD1 3.27Å; S308-D311 PolarHBondContact OG-OD2 3.27Å; S308-L312 PolarHBondContact O-N 3.44Å
309I77.8Confident71.8Confident21 Ų2176 Ų7611%0.10838%0.384CS..Hα-helixtrans-58.2-33169.9-67.9150.6000110.7D311 L312 K313 M336 S337 S340I309-D311 VanDerWaalsContact C-N 3.33Å; I309-D311 PolarHBondContact O-N 2.66Å; I309-L312 WeakPolarHBondContact O-CB 3.36Å; I309-L312 PolarHBondContact O-N 2.93Å; I309-K313 PolarHBondContact O-N 2.95Å; I309-M336 HydrophobicContact CD1-CE 3.61Å; I309-M336 HydrophobicContact CD1-CG 3.65Å; I309-M336 HydrophobicContact CG1-CG 4.14Å; I309-M336 HydrophobicContact CG2-CB 4.38Å; I309-M336 HydrophobicContact CG2-CG 4.2Å; I309-S337 VanDerWaalsContact CG2-OG 3.27Å; I309-S337 WeakPolarHBondContact CG2-OG 3.41Å; I309-S340 WeakPolarHBondContact CD1-OG 3.3Å
310G79.2Confident71.9Confident34 Ų3470.3 Ų70.335%0.35137%0.367SS..Hα-helixtrans-62.8-38.2172.500000112.9S308 K313 R314S308-G310 PolarHBondContact O-N 3Å; S308-G310 PolarHBondContact OG-N 3.42Å; G310-K313 PolarHBondContact O-N 2.99Å; G310-R314 WeakPolarHBondContact O-CB 3.5Å; G310-R314 VanDerWaalsContact O-CG 3.31Å; G310-R314 WeakPolarHBondContact O-CG 3.22Å; G310-R314 PolarHBondContact O-N 3.33Å
311D80.2Confident72.2Confident47 Ų4771 Ų7125%0.25138%0.376SS..Hα-helixtrans-67.6-39.8174.9-54.8-41.3000110.9L306 S308 I309 R314 F315L306-D311 HydrophobicContact CD2-CB 3.9Å; S308-D311 WeakPolarHBondContact CB-OD2 3.48Å; S308-D311 PolarHBondContact N-OD2 3.16Å; S308-D311 WeakPolarHBondContact O-CA 3.47Å; S308-D311 WeakPolarHBondContact O-CB 3.39Å; S308-D311 PolarHBondContact O-N 3.26Å; S308-D311 PolarHBondContact OG-N 3.05Å; S308-D311 PolarHBondContact OG-OD1 3.27Å; S308-D311 PolarHBondContact OG-OD2 3.27Å; I309-D311 VanDerWaalsContact C-N 3.33Å; I309-D311 PolarHBondContact O-N 2.66Å; D311-R314 PolarHBondContact O-N 2.79Å; D311-F315 WeakPolarHBondContact O-CB 3.06Å; D311-F315 PolarHBondContact O-N 2.69Å
312L79.5Confident72.5Confident7 Ų768.2 Ų68.24%0.03736%0.358CS..Hα-helixtrans-61.5-44.4174-59.3177.7000111.5I287 V291 L306 S308 I309 F315 L316 V333I287-L312 HydrophobicContact CG2-CD1 4.1Å; V291-L312 HydrophobicContact CB-CD2 4.08Å; V291-L312 HydrophobicContact CG1-CD2 3.85Å; V291-L312 HydrophobicContact CG2-CD1 4.33Å; V291-L312 HydrophobicContact CG2-CD2 4.23Å; L306-L312 HydrophobicContact CB-CD2 4.01Å; L306-L312 HydrophobicContact CD1-CD2 4.07Å; S308-L312 PolarHBondContact O-N 3.44Å; I309-L312 WeakPolarHBondContact O-CB 3.36Å; I309-L312 PolarHBondContact O-N 2.93Å; L312-F315 WeakPolarHBondContact O-CB 3.31Å; L312-F315 PolarHBondContact O-N 2.96Å; L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 2.64Å; L312-V333 HydrophobicContact CB-CG1 4.13Å
313K81.2Confident72.5Confident39 Ų3964.3 Ų64.317%0.1733%0.333CS..Hα-helixtrans-63-48.8177-174.9174.9176.8178.30111.7I309 G310 F315 L316 E317 V333I309-K313 PolarHBondContact O-N 2.95Å; G310-K313 PolarHBondContact O-N 2.99Å; K313-F315 VanDerWaalsContact C-N 3.28Å; K313-F315 PolarHBondContact O-N 2.94Å; K313-L316 PolarHBondContact O-N 3.19Å; K313-E317 VanDerWaalsContact CE-OE1 3.28Å; K313-E317 WeakPolarHBondContact CE-OE1 3.48Å; K313-E317 WeakPolarHBondContact O-CG 3.28Å; K313-E317 PolarHBondContact O-N 3Å; K313-V333 HydrophobicContact CB-CG1 4.1Å
314R81.4Confident72.6Confident165 Ų16571.6 Ų71.662%0.62336%0.362SS*.Hα-helixtrans-60.8-38.4176.5-73.3173.5-179.5176.7-0.9112.1G310 D311 E317 N318G310-R314 WeakPolarHBondContact O-CB 3.5Å; G310-R314 VanDerWaalsContact O-CG 3.31Å; G310-R314 WeakPolarHBondContact O-CG 3.22Å; G310-R314 PolarHBondContact O-N 3.33Å; D311-R314 PolarHBondContact O-N 2.79Å; R314-E317 WeakPolarHBondContact O-CB 3.48Å; R314-E317 PolarHBondContact O-N 3.12Å; R314-N318 PolarHBondContact O-N 2.86Å; R314-N318 PolarHBondContact O-ND2 2.75Å
315F76.8Confident72.6Confident16 Ų1667.8 Ų67.87%0.0735%0.353CS..Hα-helixtrans-60.6-49.9174.5176-93000111Q295 V301 T303 L306 D311 L312 K313 E317 N318 F319 F322Q295-F315 HydrophobicContact CG-CE1 4.3Å; Q295-F315 HydrophobicContact CG-CZ 4.24Å; Q295-F315 VanDerWaalsContact NE2-CE1 3.33Å; V301-F315 HydrophobicContact CB-CE2 4.43Å; V301-F315 HydrophobicContact CG1-CE2 4.09Å; T303-F315 HydrophobicContact CG2-CE2 3.86Å; T303-F315 HydrophobicContact CG2-CZ 4.25Å; L306-F315 HydrophobicContact CD1-CB 4.33Å; L306-F315 HydrophobicContact CD1-CD1 4.38Å; L306-F315 HydrophobicContact CD1-CD2 4Å; L306-F315 HydrophobicContact CD1-CE2 4.44Å; L306-F315 HydrophobicContact CD1-CG 3.97Å; L306-F315 HydrophobicContact CD2-CB 3.94Å; L306-F315 HydrophobicContact CD2-CD2 4.3Å; L306-F315 HydrophobicContact CD2-CG 4.32Å; D311-F315 WeakPolarHBondContact O-CB 3.06Å; D311-F315 PolarHBondContact O-N 2.69Å; L312-F315 WeakPolarHBondContact O-CB 3.31Å; L312-F315 PolarHBondContact O-N 2.96Å; K313-F315 VanDerWaalsContact C-N 3.28Å; K313-F315 PolarHBondContact O-N 2.94Å; F315-E317 PolarHBondContact O-N 3.38Å; F315-N318 PolarHBondContact O-N 2.9Å; F315-N318 VanDerWaalsContact O-N 3.15Å; F315-F319 AromaticContact CD2-CD2 3.72Å; F315-F319 HydrophobicContact CD2-CD2 3.72Å; F315-F319 AromaticContact CD2-CE2 3.74Å; F315-F319 HydrophobicContact CD2-CE2 3.74Å; F315-F319 HydrophobicContact CE1-CD2 4.39Å; F315-F319 AromaticContact CE2-CD2 3.53Å; F315-F319 HydrophobicContact CE2-CD2 3.53Å; F315-F319 AromaticContact CE2-CE2 3.5Å; F315-F319 HydrophobicContact CE2-CE2 3.5Å; F315-F319 HydrophobicContact CE2-CZ 4.46Å; F315-F319 HydrophobicContact CG-CD2 4.24Å; F315-F319 AromaticContact CZ-CD2 3.89Å; F315-F319 HydrophobicContact CZ-CD2 3.89Å; F315-F319 HydrophobicContact CZ-CE2 4.25Å; F315-F319 VanDerWaalsContact O-CD2 3.32Å; F315-F319 WeakPolarHBondContact O-CD2 3.43Å; F315-F319 PolarHBondContact O-N 3.03Å; F315-F322 HydrophobicContact CE1-CD1 4.13Å; F315-F322 HydrophobicContact CE1-CE1 4.19Å; F315-F322 HydrophobicContact CZ-CD1 4.47Å; F315-F322 HydrophobicContact CZ-CE1 4.13Å; F315-F322 HydrophobicContact CZ-CZ 4.19Å
316L76.6Confident73.1Confident4 Ų462.4 Ų62.42%0.02133%0.327CS..Hα-helixtrans-60.8-34.5176.1-68.8178000112.5L312 K313 F319 R323 V329 V333L312-L316 WeakPolarHBondContact O-CG 3.42Å; L312-L316 PolarHBondContact O-N 2.64Å; K313-L316 PolarHBondContact O-N 3.19Å; L316-F319 PolarHBondContact O-N 2.89Å; L316-R323 WeakPolarHBondContact O-CD 3.25Å; L316-R323 PolarHBondContact O-NE 3.38Å; L316-V329 HydrophobicContact CD1-CG1 4.16Å; L316-V329 HydrophobicContact CD2-CG1 4.17Å; L316-V333 HydrophobicContact CD1-CB 3.71Å; L316-V333 HydrophobicContact CD1-CG1 3.77Å; L316-V333 HydrophobicContact CD1-CG2 3.88Å
317E78.1Confident73.7Confident79 Ų7963.3 Ų63.337%0.36934%0.344SS..Hα-helixtrans-61.7-42.7173.5-73.7168.7-17900113.5K313 R314 F315 F319 R323K313-E317 VanDerWaalsContact CE-OE1 3.28Å; K313-E317 WeakPolarHBondContact CE-OE1 3.48Å; K313-E317 WeakPolarHBondContact O-CG 3.28Å; K313-E317 PolarHBondContact O-N 3Å; R314-E317 WeakPolarHBondContact O-CB 3.48Å; R314-E317 PolarHBondContact O-N 3.12Å; F315-E317 PolarHBondContact O-N 3.38Å; E317-F319 VanDerWaalsContact C-N 3.32Å; E317-F319 PolarHBondContact O-N 2.67Å; E317-R323 VanDerWaalsContact CA-CZ 3.48Å
318N75.9Confident74.4Confident123 Ų12361.1 Ų61.166%0.65834%0.337SS*.Hα-helixtrans-79-13.3-178.2-68.1-25.8000114R314 F315 P320R314-N318 PolarHBondContact O-N 2.86Å; R314-N318 PolarHBondContact O-ND2 2.75Å; F315-N318 PolarHBondContact O-N 2.9Å; F315-N318 VanDerWaalsContact O-N 3.15Å; N318-P320 WeakPolarHBondContact O-CD 3.36Å
319F74.1Confident74.8Confident71 Ų7159.2 Ų59.231%0.31132%0.324SS..  trans-124.678.8-177.3-69.1-76.8000113V301 F315 L316 E317 A321 F322V301-F319 HydrophobicContact CB-CZ 4.49Å; V301-F319 HydrophobicContact CG1-CE2 4.42Å; V301-F319 HydrophobicContact CG1-CZ 4.09Å; V301-F319 HydrophobicContact CG2-CD1 4.27Å; V301-F319 HydrophobicContact CG2-CE1 3.56Å; V301-F319 HydrophobicContact CG2-CE2 4.33Å; V301-F319 HydrophobicContact CG2-CZ 3.6Å; F315-F319 AromaticContact CD2-CD2 3.72Å; F315-F319 HydrophobicContact CD2-CD2 3.72Å; F315-F319 AromaticContact CD2-CE2 3.74Å; F315-F319 HydrophobicContact CD2-CE2 3.74Å; F315-F319 HydrophobicContact CE1-CD2 4.39Å; F315-F319 AromaticContact CE2-CD2 3.53Å; F315-F319 HydrophobicContact CE2-CD2 3.53Å; F315-F319 AromaticContact CE2-CE2 3.5Å; F315-F319 HydrophobicContact CE2-CE2 3.5Å; F315-F319 HydrophobicContact CE2-CZ 4.46Å; F315-F319 HydrophobicContact CG-CD2 4.24Å; F315-F319 AromaticContact CZ-CD2 3.89Å; F315-F319 HydrophobicContact CZ-CD2 3.89Å; F315-F319 HydrophobicContact CZ-CE2 4.25Å; F315-F319 VanDerWaalsContact O-CD2 3.32Å; F315-F319 WeakPolarHBondContact O-CD2 3.43Å; F315-F319 PolarHBondContact O-N 3.03Å; L316-F319 PolarHBondContact O-N 2.89Å; E317-F319 VanDerWaalsContact C-N 3.32Å; E317-F319 PolarHBondContact O-N 2.67Å; F319-A321 VanDerWaalsContact C-N 3.25Å; F319-A321 PolarHBondContact O-N 3.46Å; F319-F322 HydrophobicContact CB-CB 4.26Å; F319-F322 HydrophobicContact CB-CD2 3.56Å; F319-F322 HydrophobicContact CB-CE2 4.21Å; F319-F322 HydrophobicContact CB-CG 4.12Å; F319-F322 HydrophobicContact CD1-CD2 4.38Å; F319-F322 HydrophobicContact CD1-CE2 4.27Å; F319-F322 HydrophobicContact CG-CD2 4.15Å; F319-F322 HydrophobicContact CG-CE2 4.31Å; F319-F322 WeakPolarHBondContact O-CB 3.44Å; F319-F322 PolarHBondContact O-N 3Å
320P66.9Low75.3Confident80 Ų8058.7 Ų58.752%0.51932%0.321SS..Hα-helixtrans-59.1-30.7-178.5-23.833000114.8N318 F322 R323 K324N318-P320 WeakPolarHBondContact O-CD 3.36Å; P320-F322 VanDerWaalsContact C-N 3.28Å; P320-F322 PolarHBondContact O-N 3.08Å; P320-R323 WeakPolarHBondContact O-CB 3.2Å; P320-R323 PolarHBondContact O-N 2.87Å; P320-K324 PolarHBondContact O-N 3.04Å
321A65.4Low75.9Confident69 Ų6958 Ų5857%0.5731%0.31SS*.Hα-helixtrans-63.8-33.9177.400000112.5F319 R323 T325F319-A321 VanDerWaalsContact C-N 3.25Å; F319-A321 PolarHBondContact O-N 3.46Å; A321-R323 VanDerWaalsContact C-N 3.32Å; A321-R323 PolarHBondContact O-N 2.92Å; A321-T325 PolarHBondContact O-OG1 3.44Å
322F64.9Low76.5Confident12 Ų1255.8 Ų55.85%0.05330%0.298CS..Hα-helixtrans-64.2-39.5175.7-81.8-109000111.1F294 Q295 S300 F315 F319 P320 T325 S326F294-F322 AromaticContact CD1-CD1 3.78Å; F294-F322 HydrophobicContact CD1-CD1 3.78Å; F294-F322 HydrophobicContact CD1-CE1 4.39Å; F294-F322 HydrophobicContact CE1-CB 4.11Å; F294-F322 AromaticContact CE1-CD1 3.73Å; F294-F322 HydrophobicContact CE1-CD1 3.73Å; F294-F322 HydrophobicContact CE1-CG 4.3Å; F294-F322 WeakPolarHBondContact CE1-O 3.22Å; F294-F322 WeakPolarHBondContact CZ-O 3.26Å; Q295-F322 HydrophobicContact CG-CE1 3.98Å; S300-F322 WeakPolarHBondContact O-CZ 3.27Å; F315-F322 HydrophobicContact CE1-CD1 4.13Å; F315-F322 HydrophobicContact CE1-CE1 4.19Å; F315-F322 HydrophobicContact CZ-CD1 4.47Å; F315-F322 HydrophobicContact CZ-CE1 4.13Å; F315-F322 HydrophobicContact CZ-CZ 4.19Å; F319-F322 HydrophobicContact CB-CB 4.26Å; F319-F322 HydrophobicContact CB-CD2 3.56Å; F319-F322 HydrophobicContact CB-CE2 4.21Å; F319-F322 HydrophobicContact CB-CG 4.12Å; F319-F322 HydrophobicContact CD1-CD2 4.38Å; F319-F322 HydrophobicContact CD1-CE2 4.27Å; F319-F322 HydrophobicContact CG-CD2 4.15Å; F319-F322 HydrophobicContact CG-CE2 4.31Å; F319-F322 WeakPolarHBondContact O-CB 3.44Å; F319-F322 PolarHBondContact O-N 3Å; P320-F322 VanDerWaalsContact C-N 3.28Å; P320-F322 PolarHBondContact O-N 3.08Å; F322-T325 PolarHBondContact O-N 3.22Å; F322-S326 PolarHBondContact O-N 2.91Å
323R62.2Low77.1Confident53 Ų5355.5 Ų55.520%0.230%0.297CS..Hα-helixtrans-65.4-44179.3-64170.2153.9164.10.6113K256 L316 E317 P320 A321 T325 S326 D330K256-R323 VanDerWaalsContact CE-NH2 3.29Å; L316-R323 WeakPolarHBondContact O-CD 3.25Å; L316-R323 PolarHBondContact O-NE 3.38Å; E317-R323 VanDerWaalsContact CA-CZ 3.48Å; P320-R323 WeakPolarHBondContact O-CB 3.2Å; P320-R323 PolarHBondContact O-N 2.87Å; A321-R323 VanDerWaalsContact C-N 3.32Å; A321-R323 PolarHBondContact O-N 2.92Å; R323-T325 PolarHBondContact O-N 3.31Å; R323-S326 PolarHBondContact O-N 3.27Å; R323-D330 IonicContact NE-OD1 3.53Å; R323-D330 IonicContact NE-OD2 3.76Å
324K60.5Low77.6Confident193 Ų19354 Ų5484%0.83929%0.291SS*.Hα-helixtrans-59.1-20.6177.6-73.3-170.5176.5-174.90112.8P320P320-K324 PolarHBondContact O-N 3.04Å
325T60.8Low78.2Confident97 Ų9746.1 Ų46.160%0.59526%0.261SS*.Hα-helixtrans-96.5-20.8-173.1-50.60000112.4F294 A321 F322 R323F294-T325 HydrophobicContact CE2-CG2 4.05Å; F294-T325 HydrophobicContact CZ-CG2 3.73Å; A321-T325 PolarHBondContact O-OG1 3.44Å; F322-T325 PolarHBondContact O-N 3.22Å; R323-T325 PolarHBondContact O-N 3.31Å
326S73Confident79Confident27 Ų2745.5 Ų45.519%0.18926%0.259CS..  trans-154.8109.7172.3-1800000113.7F322 R323 T328 V329F322-S326 PolarHBondContact O-N 2.91Å; R323-S326 PolarHBondContact O-N 3.27Å; S326-T328 VanDerWaalsContact C-N 3.34Å; S326-V329 WeakPolarHBondContact OG-CG2 3.29Å
327G82.2Confident79.7Confident51 Ų5146.1 Ų46.153%0.52626%0.263SS..Hα-helixtrans-65.9-33.117200000113.2V329 D330 T331G327-V329 VanDerWaalsContact C-N 3.33Å; G327-V329 PolarHBondContact O-N 3.32Å; G327-D330 PolarHBondContact O-N 3.36Å; G327-T331 WeakPolarHBondContact O-CB 3.24Å; G327-T331 PolarHBondContact O-N 3.44Å; G327-T331 PolarHBondContact O-OG1 3.25Å; G327-T331 VanDerWaalsContact O-OG1 3.1Å
328T87.2Confident80.4Confident53 Ų5343.1 Ų43.133%0.32525%0.249SC..Hα-helixtrans-59.4-41.1179.5-54.60000112.3F271 S326 H332F271-T328 HydrophobicContact CB-CG2 3.8Å; S326-T328 VanDerWaalsContact C-N 3.34Å; T328-H332 PolarHBondContact O-CD2 3.4Å; T328-H332 PolarHBondContact O-N 2.69Å; T328-H332 VanDerWaalsContact O-N 3.13Å
329V87.4Confident81.3Confident2 Ų237.3 Ų37.31%0.01222%0.218CC..Hα-helixtrans-65.7-47179.2-178.50000110.9L290 V291 F294 L316 S326 G327 T331 V333L290-V329 HydrophobicContact CD1-CG2 4.32Å; L290-V329 HydrophobicContact CD2-CB 4.46Å; L290-V329 HydrophobicContact CD2-CG2 3.98Å; L290-V329 HydrophobicContact CG-CG2 3.93Å; V291-V329 HydrophobicContact CG2-CG1 3.87Å; F294-V329 HydrophobicContact CB-CG2 4.49Å; F294-V329 HydrophobicContact CD2-CG2 4.42Å; F294-V329 HydrophobicContact CG-CG2 4.31Å; L316-V329 HydrophobicContact CD1-CG1 4.16Å; L316-V329 HydrophobicContact CD2-CG1 4.17Å; S326-V329 WeakPolarHBondContact OG-CG2 3.29Å; G327-V329 VanDerWaalsContact C-N 3.33Å; G327-V329 PolarHBondContact O-N 3.32Å; V329-T331 VanDerWaalsContact C-N 3.35Å; V329-T331 PolarHBondContact O-N 3.26Å; V329-V333 HydrophobicContact CG1-CG2 4.24Å; V329-V333 WeakPolarHBondContact O-CB 3.41Å; V329-V333 VanDerWaalsContact O-CG2 3.26Å; V329-V333 WeakPolarHBondContact O-CG2 3.46Å; V329-V333 PolarHBondContact O-N 2.93Å
330D87.6Confident82.2Confident11 Ų1135.5 Ų35.56%0.05922%0.215CC..Hα-helixtrans-64-41.4-179.4-152.930000111.1K256 R323 G327 T334K256-D330 IonicContact NZ-OD2 3.91Å; K256-D330 PolarHBondContact NZ-OD2 2.92Å; R323-D330 IonicContact NE-OD1 3.53Å; R323-D330 IonicContact NE-OD2 3.76Å; G327-D330 PolarHBondContact O-N 3.36Å; D330-T334 WeakPolarHBondContact O-CB 3.34Å; D330-T334 PolarHBondContact O-N 2.83Å; D330-T334 PolarHBondContact O-OG1 3Å
331T92Very high83.5Confident20 Ų2035.5 Ų35.512%0.12320%0.204CC..Hα-helixtrans-56.6-58.2175.6-69.90000112.2I262 L264 G327 V329 T334 L335I262-T331 HydrophobicContact CD1-CG2 4.29Å; I262-T331 HydrophobicContact CG2-CG2 3.5Å; L264-T331 HydrophobicContact CD2-CG2 4.41Å; G327-T331 WeakPolarHBondContact O-CB 3.24Å; G327-T331 PolarHBondContact O-N 3.44Å; G327-T331 PolarHBondContact O-OG1 3.25Å; G327-T331 VanDerWaalsContact O-OG1 3.1Å; V329-T331 VanDerWaalsContact C-N 3.35Å; V329-T331 PolarHBondContact O-N 3.26Å; T331-T334 PolarHBondContact O-N 3.17Å; T331-L335 HydrophobicContact CG2-CD1 4.01Å; T331-L335 WeakPolarHBondContact O-CG 3.42Å; T331-L335 PolarHBondContact O-N 2.75Å
332H93.5Very high84.9Confident0 Ų032.9 Ų32.90%018%0.18CC..Hα-helixtrans-74.5-33.2-173.5-67.7-63.4000113.3Y232 D269 F271 I287 T328 T334 M336Y232-H332 AromaticContact CE1-ND1 3.81Å; Y232-H332 AromaticContact CZ-ND1 3.75Å; Y232-H332 PolarHBondContact OH-ND1 2.96Å; D269-H332 IonicContact OD1-NE2 3.48Å; D269-H332 PolarHBondContact OD1-NE2 3.25Å; D269-H332 IonicContact OD2-CE1 2.63Å; D269-H332 PolarHBondContact OD2-CE1 2.85Å; D269-H332 IonicContact OD2-NE2 3.66Å; D269-H332 PolarHBondContact OD2-NE2 3.5Å; F271-H332 HydrophobicContact CD1-CB 4.16Å; F271-H332 AromaticContact CD1-CD2 3.18Å; F271-H332 WeakPolarHBondContact CD1-CD2 3.38Å; F271-H332 AromaticContact CD1-CE1 3.87Å; F271-H332 AromaticContact CD1-CG 3.5Å; F271-H332 AromaticContact CD1-ND1 3.91Å; F271-H332 AromaticContact CD1-NE2 3.42Å; F271-H332 WeakPolarHBondContact CD1-NE2 3.34Å; F271-H332 HydrophobicContact CE1-CB 3.89Å; F271-H332 AromaticContact CE1-CD2 3.83Å; F271-H332 AromaticContact CE1-CG 3.67Å; F271-H332 AromaticContact CG-CD2 3.9Å; I287-H332 HydrophobicContact CD1-CB 4.29Å; I287-H332 HydrophobicContact CG1-CB 4.42Å; T328-H332 PolarHBondContact O-CD2 3.4Å; T328-H332 PolarHBondContact O-N 2.69Å; T328-H332 VanDerWaalsContact O-N 3.13Å; H332-T334 VanDerWaalsContact C-N 3.32Å; H332-M336 WeakPolarHBondContact O-CB 3.43Å; H332-M336 PolarHBondContact O-N 3.32Å
333V90.9Very high86.2Confident0 Ų032.7 Ų32.70%018%0.18CC..Hα-helixtrans-64.1-40.4172.1172.20000110.5I287 V291 L312 K313 L316 V329 S337I287-V333 HydrophobicContact CG2-CG2 3.64Å; V291-V333 HydrophobicContact CG2-CG2 3.83Å; L312-V333 HydrophobicContact CB-CG1 4.13Å; K313-V333 HydrophobicContact CB-CG1 4.1Å; L316-V333 HydrophobicContact CD1-CB 3.71Å; L316-V333 HydrophobicContact CD1-CG1 3.77Å; L316-V333 HydrophobicContact CD1-CG2 3.88Å; V329-V333 HydrophobicContact CG1-CG2 4.24Å; V329-V333 WeakPolarHBondContact O-CB 3.41Å; V329-V333 VanDerWaalsContact O-CG2 3.26Å; V329-V333 WeakPolarHBondContact O-CG2 3.46Å; V329-V333 PolarHBondContact O-N 2.93Å; V333-S337 VanDerWaalsContact O-CB 3.29Å; V333-S337 WeakPolarHBondContact O-CB 3.12Å; V333-S337 PolarHBondContact O-N 3.48Å; V333-S337 PolarHBondContact O-OG 3.29Å
334T92.4Very high87.6Confident8 Ų838.8 Ų38.85%0.04921%0.208CC..Hα-helixtrans-65.6-49177.6-62.20000111.5L249 V255 L259 D330 T331 H332 M336 S337 E338L249-T334 HydrophobicContact CD1-CG2 3.84Å; V255-T334 HydrophobicContact CG2-CG2 4.29Å; L259-T334 HydrophobicContact CD1-CG2 4.28Å; D330-T334 WeakPolarHBondContact O-CB 3.34Å; D330-T334 PolarHBondContact O-N 2.83Å; D330-T334 PolarHBondContact O-OG1 3Å; T331-T334 PolarHBondContact O-N 3.17Å; H332-T334 VanDerWaalsContact C-N 3.32Å; T334-M336 PolarHBondContact O-N 3.45Å; T334-S337 WeakPolarHBondContact O-CB 3.22Å; T334-S337 PolarHBondContact O-N 2.87Å; T334-E338 PolarHBondContact O-N 3.27Å
335L94.2Very high89.2Confident0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-57.5-48.9176.3-78.5167.4000111.5I240 V247 L249 I262 L264 T331 S337 E338 L339I240-L335 HydrophobicContact CD1-CD2 4.31Å; V247-L335 HydrophobicContact CG1-CD2 4.02Å; L249-L335 HydrophobicContact CD1-CD2 4.07Å; L249-L335 HydrophobicContact CD1-CG 4.49Å; L249-L335 HydrophobicContact CD2-CD2 4Å; L249-L335 HydrophobicContact CG-CD2 4.34Å; I262-L335 HydrophobicContact CD1-CD1 4.42Å; I262-L335 HydrophobicContact CD1-CD2 4.32Å; I262-L335 HydrophobicContact CD1-CG 4.11Å; I262-L335 HydrophobicContact CG2-CD1 4.46Å; L264-L335 HydrophobicContact CD1-CD1 3.89Å; L264-L335 HydrophobicContact CD2-CD1 3.7Å; L264-L335 HydrophobicContact CG-CD1 4.17Å; T331-L335 HydrophobicContact CG2-CD1 4.01Å; T331-L335 WeakPolarHBondContact O-CG 3.42Å; T331-L335 PolarHBondContact O-N 2.75Å; L335-S337 VanDerWaalsContact C-N 3.32Å; L335-S337 PolarHBondContact O-N 2.85Å; L335-E338 PolarHBondContact O-N 2.89Å; L335-L339 VanDerWaalsContact O-CG 3.24Å; L335-L339 WeakPolarHBondContact O-CG 3.2Å; L335-L339 PolarHBondContact O-N 2.76Å
336M92.7Very high90.7Very high3 Ų331.8 Ų31.82%0.01517%0.171CC..Hα-helixtrans-66.6-35.1-178.8-171.666.5-164.600112.8F280 I283 I287 I309 H332 T334 E338 L339 S340F280-M336 HydrophobicContact CD2-CE 3.49Å; F280-M336 VanDerWaalsContact CD2-CE 3.49Å; F280-M336 HydrophobicContact CD2-SD 4.26Å; F280-M336 HydrophobicContact CE2-CE 3.07Å; F280-M336 HydrophobicContact CE2-SD 3.94Å; F280-M336 HydrophobicContact CZ-CE 3.82Å; I283-M336 HydrophobicContact CG1-SD 4.45Å; I283-M336 HydrophobicContact CG2-CE 4.26Å; I283-M336 HydrophobicContact CG2-SD 4Å; I287-M336 HydrophobicContact CD1-CB 3.31Å; I287-M336 HydrophobicContact CD1-CG 3.57Å; I287-M336 HydrophobicContact CD1-SD 4.25Å; I309-M336 HydrophobicContact CD1-CE 3.61Å; I309-M336 HydrophobicContact CD1-CG 3.65Å; I309-M336 HydrophobicContact CG1-CG 4.14Å; I309-M336 HydrophobicContact CG2-CB 4.38Å; I309-M336 HydrophobicContact CG2-CG 4.2Å; H332-M336 WeakPolarHBondContact O-CB 3.43Å; H332-M336 PolarHBondContact O-N 3.32Å; T334-M336 PolarHBondContact O-N 3.45Å; M336-E338 VanDerWaalsContact C-N 3.31Å; M336-L339 HydrophobicContact SD-CD1 4.49Å; M336-S340 VanDerWaalsContact O-CB 3.29Å; M336-S340 WeakPolarHBondContact O-CB 3.45Å; M336-S340 PolarHBondContact O-N 2.86Å; M336-S340 PolarHBondContact O-OG 3.28Å
337S91.4Very high91.7Very high17 Ų1730.6 Ų30.612%0.11916%0.164CC..Hα-helixtrans-61.6-43.2173.5-62.80000111.2I309 V333 T334 L335 R341I309-S337 VanDerWaalsContact CG2-OG 3.27Å; I309-S337 WeakPolarHBondContact CG2-OG 3.41Å; V333-S337 VanDerWaalsContact O-CB 3.29Å; V333-S337 WeakPolarHBondContact O-CB 3.12Å; V333-S337 PolarHBondContact O-N 3.48Å; V333-S337 PolarHBondContact O-OG 3.29Å; T334-S337 WeakPolarHBondContact O-CB 3.22Å; T334-S337 PolarHBondContact O-N 2.87Å; L335-S337 VanDerWaalsContact C-N 3.32Å; L335-S337 PolarHBondContact O-N 2.85Å; S337-R341 PolarHBondContact O-N 2.99Å
338E94.2Very high92.3Very high16 Ų1628.5 Ų28.58%0.07514%0.14CC..Hα-helixtrans-69.3-45.1179.5-178.259.9-176.100112.1I240 L249 A252 T334 L335 M336 S340 R341 I342I240-E338 HydrophobicContact CD1-CG 4.19Å; L249-E338 HydrophobicContact CD2-CG 4.43Å; A252-E338 HydrophobicContact CB-CG 3.83Å; A252-E338 WeakPolarHBondContact CB-OE1 3.33Å; T334-E338 PolarHBondContact O-N 3.27Å; L335-E338 PolarHBondContact O-N 2.89Å; M336-E338 VanDerWaalsContact C-N 3.31Å; E338-S340 VanDerWaalsContact C-N 3.31Å; E338-S340 PolarHBondContact O-N 3.43Å; E338-R341 WeakPolarHBondContact O-CB 3.45Å; E338-R341 PolarHBondContact O-N 2.76Å; E338-R341 VanDerWaalsContact O-N 3.12Å; E338-R341 IonicContact OE1-CZ 3.98Å; E338-R341 IonicContact OE1-NE 3.08Å; E338-R341 PolarHBondContact OE1-NE 2.69Å; E338-R341 IonicContact OE1-NH2 2.69Å; E338-R341 PolarHBondContact OE1-NH2 2.92Å; E338-R341 IonicContact OE2-CZ 3.31Å; E338-R341 IonicContact OE2-NE 3.11Å; E338-R341 PolarHBondContact OE2-NE 2.85Å; E338-R341 IonicContact OE2-NH2 3.78Å; E338-I342 HydrophobicContact CG-CD1 4.09Å; E338-I342 WeakPolarHBondContact O-CG1 3.38Å; E338-I342 PolarHBondContact O-N 3Å
339L94.3Very high92.5Very high0 Ų026.9 Ų26.90%013%0.129CC..Hα-helixtrans-56.1-46.8173.6-68.8164.5000111.4Y232 M235 V236 L239 I240 F280 L335 M336 R341 I342 V343Y232-L339 HydrophobicContact CD2-CD1 4.2Å; Y232-L339 HydrophobicContact CE2-CD1 3.84Å; M235-L339 HydrophobicContact CE-CB 4.13Å; M235-L339 HydrophobicContact CE-CD1 3.51Å; M235-L339 HydrophobicContact CE-CD2 4.09Å; M235-L339 HydrophobicContact CE-CG 4.11Å; M235-L339 HydrophobicContact CG-CD2 4.15Å; V236-L339 HydrophobicContact CG2-CD1 3.81Å; V236-L339 HydrophobicContact CG2-CD2 4.37Å; L239-L339 HydrophobicContact CB-CD2 4.2Å; L239-L339 HydrophobicContact CD1-CD2 4.02Å; I240-L339 HydrophobicContact CD1-CD2 3.92Å; I240-L339 HydrophobicContact CD1-CG 4.23Å; I240-L339 HydrophobicContact CG1-CD2 4.29Å; F280-L339 HydrophobicContact CE2-CB 4.47Å; L335-L339 VanDerWaalsContact O-CG 3.24Å; L335-L339 WeakPolarHBondContact O-CG 3.2Å; L335-L339 PolarHBondContact O-N 2.76Å; M336-L339 HydrophobicContact SD-CD1 4.49Å; L339-R341 VanDerWaalsContact C-N 3.29Å; L339-R341 PolarHBondContact O-N 2.93Å; L339-I342 PolarHBondContact O-N 3.11Å; L339-V343 WeakPolarHBondContact O-CB 3.37Å; L339-V343 VanDerWaalsContact O-CG2 3.26Å; L339-V343 WeakPolarHBondContact O-CG2 3.27Å; L339-V343 PolarHBondContact O-N 3.49Å
340S93.3Very high92.9Very high34 Ų3429.9 Ų29.924%0.23814%0.143CC..Hα-helixtrans-62.9-35.3178.3-59.20000112.8I309 M336 E338 K344I309-S340 WeakPolarHBondContact CD1-OG 3.3Å; M336-S340 VanDerWaalsContact O-CB 3.29Å; M336-S340 WeakPolarHBondContact O-CB 3.45Å; M336-S340 PolarHBondContact O-N 2.86Å; M336-S340 PolarHBondContact O-OG 3.28Å; E338-S340 VanDerWaalsContact C-N 3.31Å; E338-S340 PolarHBondContact O-N 3.43Å; S340-K344 WeakPolarHBondContact O-CB 3.43Å; S340-K344 PolarHBondContact O-N 2.77Å
341R93.8Very high93.2Very high80 Ų8029.3 Ų29.330%0.30214%0.14SC..Hα-helixtrans-64.2-53.3175.1-174.1-170.869.582.5-2.3110.3S337 E338 L339 V343 K344 E345S337-R341 PolarHBondContact O-N 2.99Å; E338-R341 WeakPolarHBondContact O-CB 3.45Å; E338-R341 PolarHBondContact O-N 2.76Å; E338-R341 VanDerWaalsContact O-N 3.12Å; E338-R341 IonicContact OE1-CZ 3.98Å; E338-R341 IonicContact OE1-NE 3.08Å; E338-R341 PolarHBondContact OE1-NE 2.69Å; E338-R341 IonicContact OE1-NH2 2.69Å; E338-R341 PolarHBondContact OE1-NH2 2.92Å; E338-R341 IonicContact OE2-CZ 3.31Å; E338-R341 IonicContact OE2-NE 3.11Å; E338-R341 PolarHBondContact OE2-NE 2.85Å; E338-R341 IonicContact OE2-NH2 3.78Å; L339-R341 VanDerWaalsContact C-N 3.29Å; L339-R341 PolarHBondContact O-N 2.93Å; R341-V343 PolarHBondContact O-N 3.35Å; R341-K344 PolarHBondContact O-N 2.91Å; R341-E345 IonicContact CZ-OE2 3.95Å; R341-E345 IonicContact NH1-OE1 3.71Å; R341-E345 IonicContact NH1-OE2 3.25Å; R341-E345 PolarHBondContact NH1-OE2 3.22Å; R341-E345 VanDerWaalsContact O-CB 3.29Å; R341-E345 WeakPolarHBondContact O-CB 3.5Å; R341-E345 PolarHBondContact O-N 3.1Å
342I93.7Very high93.3Very high14 Ų1428.4 Ų28.47%0.07214%0.135CC..Hα-helixtrans-59.7-48.6-178.5-64.1167.7000110.8L239 I240 E338 L339 K344 E345 H346 L348L239-I342 HydrophobicContact CB-CD1 4.37Å; L239-I342 HydrophobicContact CB-CG2 4.39Å; L239-I342 HydrophobicContact CD1-CG2 4.17Å; L239-I342 HydrophobicContact CD2-CG2 4.34Å; I240-I342 HydrophobicContact CG1-CD1 4.26Å; E338-I342 HydrophobicContact CG-CD1 4.09Å; E338-I342 WeakPolarHBondContact O-CG1 3.38Å; E338-I342 PolarHBondContact O-N 3Å; L339-I342 PolarHBondContact O-N 3.11Å; I342-K344 VanDerWaalsContact C-N 3.27Å; I342-K344 PolarHBondContact O-N 3.14Å; I342-E345 PolarHBondContact O-N 3.37Å; I342-H346 PolarHBondContact O-N 3.14Å; I342-L348 HydrophobicContact CG2-CD1 4.22Å
343V93Very high93.3Very high8 Ų831.5 Ų31.55%0.04815%0.149CC..Hα-helixtrans-55.7-42.6178.7168.80000111.8W230 L239 F280 L339 R341 A347 L348 L349W230-V343 HydrophobicContact CH2-CG1 4Å; W230-V343 HydrophobicContact CH2-CG2 4.17Å; W230-V343 HydrophobicContact CZ3-CG1 4.21Å; W230-V343 HydrophobicContact CZ3-CG2 3.97Å; L239-V343 HydrophobicContact CD1-CG2 3.93Å; F280-V343 HydrophobicContact CE1-CG1 4.12Å; F280-V343 HydrophobicContact CE1-CG2 4.31Å; F280-V343 HydrophobicContact CZ-CB 4.45Å; F280-V343 HydrophobicContact CZ-CG2 4.14Å; L339-V343 WeakPolarHBondContact O-CB 3.37Å; L339-V343 VanDerWaalsContact O-CG2 3.26Å; L339-V343 WeakPolarHBondContact O-CG2 3.27Å; L339-V343 PolarHBondContact O-N 3.49Å; R341-V343 PolarHBondContact O-N 3.35Å; V343-A347 PolarHBondContact O-N 2.77Å; V343-L348 HydrophobicContact CG1-CB 4.48Å; V343-L348 HydrophobicContact CG2-CD1 4.15Å; V343-L348 PolarHBondContact O-N 3.47Å; V343-L348 VanDerWaalsContact O-N 3.08Å; V343-L349 HydrophobicContact CG1-CD1 4.28Å; V343-L349 HydrophobicContact CG1-CG 4.03Å
344K92.1Very high93.5Very high181 Ų18131.6 Ų31.679%0.78715%0.15SC*.Hα-helixtrans-73.6-44.2179.6-177.2-178.7176.8-175.30112.4S340 R341 I342 A347S340-K344 WeakPolarHBondContact O-CB 3.43Å; S340-K344 PolarHBondContact O-N 2.77Å; R341-K344 PolarHBondContact O-N 2.91Å; I342-K344 VanDerWaalsContact C-N 3.27Å; I342-K344 PolarHBondContact O-N 3.14Å; K344-A347 PolarHBondContact O-N 2.87Å
345E92.6Very high93.6Very high104 Ų10431.2 Ų31.249%0.48615%0.147SC..Hα-helixtrans-65.4-40.2-174.9-170.2169.5154.700111.7R341 I342R341-E345 IonicContact CZ-OE2 3.95Å; R341-E345 IonicContact NH1-OE1 3.71Å; R341-E345 IonicContact NH1-OE2 3.25Å; R341-E345 PolarHBondContact NH1-OE2 3.22Å; R341-E345 VanDerWaalsContact O-CB 3.29Å; R341-E345 WeakPolarHBondContact O-CB 3.5Å; R341-E345 PolarHBondContact O-N 3.1Å; I342-E345 PolarHBondContact O-N 3.37Å
346H92.9Very high93.5Very high38 Ų3831.4 Ų31.418%0.17615%0.148CC..THydrogen-bonded Turntrans-97.48.3-178-54.1170000113.5I342 L348 R379 L381I342-H346 PolarHBondContact O-N 3.14Å; H346-L348 VanDerWaalsContact C-N 3.26Å; H346-L348 HydrophobicContact CB-CD2 3.62Å; H346-L348 HydrophobicContact CB-CG 3.95Å; H346-L348 PolarHBondContact O-N 3.11Å; H346-R379 WeakPolarHBondContact CA-O 3.32Å; H346-L381 WeakPolarHBondContact CE1-CD1 3.4Å; H346-L381 WeakPolarHBondContact ND1-CD1 3.29Å
347A94.2Very high93.4Very high3 Ų332 Ų323%0.02515%0.151CC..THydrogen-bonded Turntrans4845.6-178.500000113.3V343 K344 L349 E350 I351 I380V343-A347 PolarHBondContact O-N 2.77Å; K344-A347 PolarHBondContact O-N 2.87Å; A347-L349 PolarHBondContact O-N 3.38Å; A347-E350 VanDerWaalsContact C-OE2 3.29Å; A347-E350 WeakPolarHBondContact CA-OE2 3.32Å; A347-E350 WeakPolarHBondContact CB-OE2 3.32Å; A347-E350 PolarHBondContact O-N 2.71Å; A347-E350 VanDerWaalsContact O-OE2 3.08Å; A347-I351 PolarHBondContact O-N 2.83Å; A347-I380 HydrophobicContact CB-CD1 3.81Å
348L94.3Very high93.4Very high6 Ų631.2 Ų31.23%0.03115%0.145CC..Hα-helixtrans-67.1-22.4-170.4-62.4-174000113.8W230 L239 I342 V343 H346 I351 S352W230-L348 HydrophobicContact CH2-CB 4.25Å; L239-L348 HydrophobicContact CD1-CD1 3.96Å; L239-L348 HydrophobicContact CD2-CD1 3.48Å; L239-L348 VanDerWaalsContact CD2-CD1 3.48Å; L239-L348 HydrophobicContact CG-CD1 4.4Å; I342-L348 HydrophobicContact CG2-CD1 4.22Å; V343-L348 HydrophobicContact CG1-CB 4.48Å; V343-L348 HydrophobicContact CG2-CD1 4.15Å; V343-L348 PolarHBondContact O-N 3.47Å; V343-L348 VanDerWaalsContact O-N 3.08Å; H346-L348 VanDerWaalsContact C-N 3.26Å; H346-L348 HydrophobicContact CB-CD2 3.62Å; H346-L348 HydrophobicContact CB-CG 3.95Å; H346-L348 PolarHBondContact O-N 3.11Å; L348-I351 HydrophobicContact CD2-CD1 3.92Å; L348-S352 VanDerWaalsContact O-CB 3.29Å; L348-S352 WeakPolarHBondContact O-CB 3.31Å; L348-S352 PolarHBondContact O-N 3.32Å
349L93Very high93.2Very high19 Ų1930.5 Ų30.510%0.09914%0.142CC..Hα-helixtrans-69.8-41.3177.4-64.9165.2000110.8W230 V343 A347 I351 S352 E353 L470 Y485W230-L349 HydrophobicContact CH2-CD2 3.38Å; W230-L349 HydrophobicContact CH2-CG 4.01Å; W230-L349 HydrophobicContact CZ2-CD2 3.74Å; W230-L349 HydrophobicContact CZ2-CG 4.48Å; W230-L349 HydrophobicContact CZ3-CD2 3.92Å; V343-L349 HydrophobicContact CG1-CD1 4.28Å; V343-L349 HydrophobicContact CG1-CG 4.03Å; A347-L349 PolarHBondContact O-N 3.38Å; L349-I351 VanDerWaalsContact C-N 3.32Å; L349-S352 PolarHBondContact O-N 3.48Å; L349-E353 PolarHBondContact O-N 3.2Å; L349-L470 HydrophobicContact CD1-CD1 3.3Å; L349-L470 HydrophobicContact CD2-CD1 4.1Å; L349-L470 HydrophobicContact CG-CD1 4.34Å; L349-Y485 HydrophobicContact CB-CE1 4.17Å; L349-Y485 HydrophobicContact CD2-CD1 4.49Å; L349-Y485 HydrophobicContact CD2-CE1 4.27Å; L349-Y485 WeakPolarHBondContact O-CE1 3.45Å
350E94.1Very high92.8Very high65 Ų6531.1 Ų31.130%0.30415%0.146SC..Hα-helixtrans-64.4-38.6176.4-66.987159.300111.5A347 L374A347-E350 VanDerWaalsContact C-OE2 3.29Å; A347-E350 WeakPolarHBondContact CA-OE2 3.32Å; A347-E350 WeakPolarHBondContact CB-OE2 3.32Å; A347-E350 PolarHBondContact O-N 2.71Å; A347-E350 VanDerWaalsContact O-OE2 3.08Å; E350-L374 HydrophobicContact CB-CD2 4.26Å
351I95.5Very high92.3Very high0 Ų034.8 Ų34.80%016%0.155CC..Hα-helixtrans-64.2-51.7173.7-57.6177.6000109.9A347 L348 L349 E353 V354 E355 I380 D384 L388A347-I351 PolarHBondContact O-N 2.83Å; L348-I351 HydrophobicContact CD2-CD1 3.92Å; L349-I351 VanDerWaalsContact C-N 3.32Å; I351-E353 VanDerWaalsContact C-N 3.27Å; I351-E353 PolarHBondContact O-N 3.46Å; I351-V354 PolarHBondContact O-N 3.43Å; I351-E355 HydrophobicContact CG2-CG 4.18Å; I351-E355 WeakPolarHBondContact CG2-OE1 3.4Å; I351-E355 WeakPolarHBondContact O-CG 3.42Å; I351-E355 PolarHBondContact O-N 2.76Å; I351-I380 HydrophobicContact CD1-CD1 3.7Å; I351-I380 HydrophobicContact CD1-CG2 3.79Å; I351-I380 HydrophobicContact CG1-CD1 3.63Å; I351-I380 HydrophobicContact CG1-CG2 4.37Å; I351-D384 HydrophobicContact CD1-CB 3.57Å; I351-L388 HydrophobicContact CG2-CD1 4.13Å; I351-L388 HydrophobicContact CG2-CD2 3.96Å; I351-L388 HydrophobicContact CG2-CG 4.01Å
352S94.3Very high91.5Very high0 Ų036.8 Ų36.80%017%0.172CC..Hα-helixtrans-62-33.9-176.7-175.80000112.9W230 L348 L349 V354 E355 Q356W230-S352 PolarHBondContact NE1-OG 3.07Å; L348-S352 VanDerWaalsContact O-CB 3.29Å; L348-S352 WeakPolarHBondContact O-CB 3.31Å; L348-S352 PolarHBondContact O-N 3.32Å; L349-S352 PolarHBondContact O-N 3.48Å; S352-V354 VanDerWaalsContact C-N 3.32Å; S352-V354 PolarHBondContact O-N 3.32Å; S352-E355 PolarHBondContact O-N 2.95Å; S352-Q356 WeakPolarHBondContact O-CB 3.02Å; S352-Q356 WeakPolarHBondContact O-CG 3.44Å; S352-Q356 PolarHBondContact O-N 2.91Å
353E92.6Very high91.1Very high66 Ų6639.5 Ų39.531%0.30819%0.186SC..Hα-helixtrans-60.1-43.6173.9-163.4-167.714000111.9L349 I351 E357 R370 V484 Y485L349-E353 PolarHBondContact O-N 3.2Å; I351-E353 VanDerWaalsContact C-N 3.27Å; I351-E353 PolarHBondContact O-N 3.46Å; E353-E357 WeakPolarHBondContact O-CB 3.31Å; E353-E357 PolarHBondContact O-N 2.59Å; E353-R370 IonicContact OE1-CZ 3.79Å; E353-R370 IonicContact OE1-NH1 3.79Å; E353-R370 PolarHBondContact OE1-NH1 3.23Å; E353-R370 VanDerWaalsContact OE1-NH1 3.17Å; E353-R370 IonicContact OE1-NH2 2.88Å; E353-R370 PolarHBondContact OE1-NH2 3.35Å; E353-R370 IonicContact OE2-NH2 3.71Å; E353-V484 HydrophobicContact CG-CG1 3.78Å; E353-Y485 HydrophobicContact CB-CE1 4.28Å
354V94.7Very high90.9Very high1 Ų141.2 Ų41.21%0.00619%0.194CC..Hα-helixtrans-69.9-40176.9174.20000111I351 S352 Q356 E357 L358 I367 R370 I371 L374 L388I351-V354 PolarHBondContact O-N 3.43Å; S352-V354 VanDerWaalsContact C-N 3.32Å; S352-V354 PolarHBondContact O-N 3.32Å; V354-Q356 VanDerWaalsContact C-N 3.34Å; V354-Q356 PolarHBondContact O-N 2.81Å; V354-E357 PolarHBondContact O-N 3.28Å; V354-L358 WeakPolarHBondContact O-CB 3.17Å; V354-L358 PolarHBondContact O-N 3.21Å; V354-I367 HydrophobicContact CB-CD1 4.44Å; V354-I367 HydrophobicContact CG1-CD1 3.61Å; V354-I367 HydrophobicContact CG1-CG1 4.43Å; V354-R370 HydrophobicContact CG2-CB 4.01Å; V354-I371 HydrophobicContact CG1-CG1 3.71Å; V354-L374 HydrophobicContact CB-CD1 3.91Å; V354-L374 HydrophobicContact CG1-CD1 4.28Å; V354-L374 HydrophobicContact CG2-CD1 3.52Å; V354-L388 HydrophobicContact CB-CD2 4.26Å; V354-L388 HydrophobicContact CG1-CD2 3.92Å
355E95.3Very high90.8Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-56.8-46.9173.9-69.1173.5172.500111.7L227 S228 I351 S352 L358 V359 R387 L388 L391L227-E355 HydrophobicContact CD2-CB 3.74Å; L227-E355 HydrophobicContact CD2-CG 4.43Å; S228-E355 WeakPolarHBondContact CB-OE2 3.4Å; S228-E355 PolarHBondContact N-OE2 3.44Å; S228-E355 VanDerWaalsContact OG-CD 3.29Å; S228-E355 PolarHBondContact OG-OE1 3.11Å; S228-E355 VanDerWaalsContact OG-OE1 3.13Å; S228-E355 PolarHBondContact OG-OE2 3.29Å; I351-E355 HydrophobicContact CG2-CG 4.18Å; I351-E355 WeakPolarHBondContact CG2-OE1 3.4Å; I351-E355 WeakPolarHBondContact O-CG 3.42Å; I351-E355 PolarHBondContact O-N 2.76Å; S352-E355 PolarHBondContact O-N 2.95Å; E355-L358 PolarHBondContact O-N 2.68Å; E355-V359 WeakPolarHBondContact O-CG2 3.35Å; E355-V359 PolarHBondContact O-N 3.39Å; E355-R387 IonicContact OE1-CZ 3.85Å; E355-R387 IonicContact OE1-NH1 3.93Å; E355-R387 PolarHBondContact OE1-NH1 3.37Å; E355-R387 IonicContact OE1-NH2 3.81Å; E355-R387 PolarHBondContact OE1-NH2 3.03Å; E355-L388 HydrophobicContact CG-CD2 3.61Å; E355-L391 HydrophobicContact CB-CD1 4.2Å; E355-L391 HydrophobicContact CG-CD1 3.82Å
356Q92Very high90.7Very high5 Ų533.9 Ų33.92%0.02318%0.177CC..Hα-helixtrans-70.6-40.4-178.7-65.4-69-43.300111.9S352 V354 L358 V359 C360 V484 Y485S352-Q356 WeakPolarHBondContact O-CB 3.02Å; S352-Q356 WeakPolarHBondContact O-CG 3.44Å; S352-Q356 PolarHBondContact O-N 2.91Å; V354-Q356 VanDerWaalsContact C-N 3.34Å; V354-Q356 PolarHBondContact O-N 2.81Å; Q356-L358 VanDerWaalsContact C-N 3.33Å; Q356-V359 PolarHBondContact O-N 3.33Å; Q356-C360 WeakPolarHBondContact O-CB 3.42Å; Q356-C360 PolarHBondContact O-N 2.84Å; Q356-V484 VanDerWaalsContact CB-O 3.24Å; Q356-V484 WeakPolarHBondContact CB-O 3.25Å; Q356-V484 VanDerWaalsContact CG-O 3.3Å; Q356-V484 WeakPolarHBondContact CG-O 3.35Å; Q356-Y485 PolarHBondContact NE2-O 3.43Å
357E91.1Very high90.7Very high15 Ų1532.1 Ų32.17%0.0717%0.169CC..Hα-helixtrans-60.1-44.5172-180172.8-159.800111.4E353 V354 V359 R361 I367 R370E353-E357 WeakPolarHBondContact O-CB 3.31Å; E353-E357 PolarHBondContact O-N 2.59Å; V354-E357 PolarHBondContact O-N 3.28Å; E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 2.88Å; E357-R361 HydrophobicContact CG-CB 4.22Å; E357-R361 CarbonylContact O-C 3.32Å; E357-R361 WeakPolarHBondContact O-CA 3.49Å; E357-R361 VanDerWaalsContact O-CB 3.29Å; E357-R361 WeakPolarHBondContact O-CB 3.47Å; E357-R361 PolarHBondContact O-N 3.16Å; E357-R361 VanDerWaalsContact O-O 3.05Å; E357-I367 HydrophobicContact CB-CD1 3.99Å; E357-I367 HydrophobicContact CG-CD1 3.87Å; E357-R370 WeakPolarHBondContact OE2-CD 3.41Å; E357-R370 IonicContact OE2-CZ 2.76Å; E357-R370 IonicContact OE2-NE 3.33Å; E357-R370 IonicContact OE2-NH1 3.28Å; E357-R370 PolarHBondContact OE2-NH1 3.27Å
358L90.8Very high90.7Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-62.6-37.9-179176.558.7000113.1V354 E355 Q356 I367 I371 L391 Y392 R395 Y396V354-L358 WeakPolarHBondContact O-CB 3.17Å; V354-L358 PolarHBondContact O-N 3.21Å; E355-L358 PolarHBondContact O-N 2.68Å; Q356-L358 VanDerWaalsContact C-N 3.33Å; L358-I367 HydrophobicContact CB-CD1 4.05Å; L358-I367 HydrophobicContact CB-CG1 3.95Å; L358-I367 HydrophobicContact CD1-CG1 3.93Å; L358-I367 HydrophobicContact CD1-CG2 4.37Å; L358-I367 HydrophobicContact CG-CG1 4.47Å; L358-I371 HydrophobicContact CD2-CD1 4.33Å; L358-L391 HydrophobicContact CD2-CB 3.5Å; L358-L391 HydrophobicContact CG-CB 4.44Å; L358-Y392 HydrophobicContact CD1-CD2 4.25Å; L358-R395 HydrophobicContact CD1-CB 4.27Å; L358-R395 HydrophobicContact CD1-CG 4.37Å; L358-Y396 HydrophobicContact CD1-CD2 3.96Å; L358-Y396 HydrophobicContact CD1-CE2 3.51Å
359V89.1Confident90.7Very high2 Ų236 Ų361%0.01219%0.194CC..Hα-helixtrans-87.4-38-177.4173.40000112.4V223 L227 E355 Q356 E357 L391 F442 H488V223-V359 HydrophobicContact CG1-CG1 3.93Å; V223-V359 HydrophobicContact CG1-CG2 3.78Å; L227-V359 HydrophobicContact CD2-CG2 4Å; E355-V359 WeakPolarHBondContact O-CG2 3.35Å; E355-V359 PolarHBondContact O-N 3.39Å; Q356-V359 PolarHBondContact O-N 3.33Å; E357-V359 VanDerWaalsContact C-N 3.33Å; E357-V359 PolarHBondContact O-N 2.88Å; V359-L391 HydrophobicContact CG2-CD2 4.32Å; V359-F442 HydrophobicContact CB-CD1 4.48Å; V359-F442 HydrophobicContact CG1-CD1 4.08Å; V359-F442 HydrophobicContact CG2-CE1 4.39Å; V359-H488 HydrophobicContact CG1-CB 4.29Å; V359-H488 VanDerWaalsContact CG1-CD2 3.43Å; V359-H488 WeakPolarHBondContact CG1-CD2 3.27Å
360C85.8Confident90.9Very high13 Ų1338.4 Ų38.49%0.08820%0.202CC..Hα-helixtrans-99.6-14.7-172.2-57.50000114.2Q356 M445 Q487 H488Q356-C360 WeakPolarHBondContact O-CB 3.42Å; Q356-C360 PolarHBondContact O-N 2.84Å; C360-M445 HydrophobicContact CB-CG 3.97Å; C360-M445 HydrophobicContact CB-SD 4.14Å; C360-Q487 HydrophobicContact CB-CB 4.31Å; C360-H488 PolarHBondContact SG-N 3.33Å; C360-H488 VanDerWaalsContact SG-N 3.41Å
361R82.6Confident91.1Very high110 Ų11035.3 Ų35.342%0.41519%0.187SC..  trans-127.1145.3-175.9-51.7-174.8-177.9174.5-3.8111.3E357 N363E357-R361 HydrophobicContact CG-CB 4.22Å; E357-R361 CarbonylContact O-C 3.32Å; E357-R361 WeakPolarHBondContact O-CA 3.49Å; E357-R361 VanDerWaalsContact O-CB 3.29Å; E357-R361 WeakPolarHBondContact O-CB 3.47Å; E357-R361 PolarHBondContact O-N 3.16Å; E357-R361 VanDerWaalsContact O-O 3.05Å; R361-N363 PolarHBondContact O-N 3.3Å
362D78.4Confident91.1Very high123 Ų12339.5 Ų39.566%0.65821%0.206SC*.  trans-10369.6179.1-158.441.3000111.1R395 Y396D362-R395 VanDerWaalsContact CG-NH2 3.33Å; D362-R395 IonicContact OD1-CZ 2.89Å; D362-R395 IonicContact OD1-NE 2.78Å; D362-R395 IonicContact OD1-NH2 3.65Å; D362-R395 PolarHBondContact OD1-NH2 3.38Å; D362-Y396 PolarHBondContact OD1-OH 3.09Å
363N85.7Confident91.2Very high70 Ų7043.5 Ų43.537%0.37423%0.233SC..  trans-125.274.3178.7-169-2000111.5R361 S365 S366 I367R361-N363 PolarHBondContact O-N 3.3Å; N363-S365 PolarHBondContact O-N 3.19Å; N363-S366 WeakPolarHBondContact ND2-CB 3.47Å; N363-S366 PolarHBondContact O-N 2.81Å; N363-I367 PolarHBondContact O-N 3.45Å
364H89Confident91.5Very high44 Ų4441.2 Ų41.220%0.20422%0.223CC..Hα-helixtrans-59.9-42.5-170.5-178.2-135.5000114.6I367 I368 Y392 Y396H364-I367 WeakPolarHBondContact O-CG2 3.45Å; H364-I368 WeakPolarHBondContact NE2-CD1 3.41Å; H364-I368 WeakPolarHBondContact O-CG1 3.48Å; H364-I368 PolarHBondContact O-N 2.74Å; H364-Y392 AromaticContact CD2-CE2 3.9Å; H364-Y392 AromaticContact NE2-CE2 3.85Å; H364-Y392 AromaticContact NE2-CZ 3.72Å; H364-Y392 PolarHBondContact NE2-OH 3.36Å; H364-Y396 HydrophobicContact CB-CE1 4.02Å; H364-Y396 AromaticContact CD2-CD1 3.91Å; H364-Y396 AromaticContact CD2-CD2 3.95Å; H364-Y396 AromaticContact CD2-CE1 4Å; H364-Y396 AromaticContact CD2-CG 3.89Å
365S88.4Confident91.6Very high93 Ų9341.1 Ų41.165%0.6522%0.223SC*.Hα-helixtrans-68.9-41.6-177.658.10000112.3N363N363-S365 PolarHBondContact O-N 3.19Å
366S91.3Very high91.6Very high38 Ų3845.3 Ų45.327%0.26625%0.252SS..Hα-helixtrans-65.8-47.3176.9-170.40000111.1N363 I368 S369 R370N363-S366 WeakPolarHBondContact ND2-CB 3.47Å; N363-S366 PolarHBondContact O-N 2.81Å; S366-I368 PolarHBondContact O-N 2.66Å; S366-S369 PolarHBondContact O-N 2.87Å; S366-S369 VanDerWaalsContact O-N 3.14Å; S366-S369 PolarHBondContact O-OG 3.01Å; S366-R370 WeakPolarHBondContact O-CG 3.26Å; S366-R370 PolarHBondContact O-N 2.97Å; S366-R370 VanDerWaalsContact O-N 3.14Å
367I92.5Very high91.8Very high1 Ų146.4 Ų46.41%0.00526%0.258CS..Hα-helixtrans-64.5-38.1-173.5-160.165.3000112.7V354 E357 L358 N363 H364 S369 R370 I371 Y396V354-I367 HydrophobicContact CB-CD1 4.44Å; V354-I367 HydrophobicContact CG1-CD1 3.61Å; V354-I367 HydrophobicContact CG1-CG1 4.43Å; E357-I367 HydrophobicContact CB-CD1 3.99Å; E357-I367 HydrophobicContact CG-CD1 3.87Å; L358-I367 HydrophobicContact CB-CD1 4.05Å; L358-I367 HydrophobicContact CB-CG1 3.95Å; L358-I367 HydrophobicContact CD1-CG1 3.93Å; L358-I367 HydrophobicContact CD1-CG2 4.37Å; L358-I367 HydrophobicContact CG-CG1 4.47Å; N363-I367 PolarHBondContact O-N 3.45Å; H364-I367 WeakPolarHBondContact O-CG2 3.45Å; I367-S369 VanDerWaalsContact C-N 3.33Å; I367-S369 PolarHBondContact O-N 3.2Å; I367-R370 PolarHBondContact O-N 2.94Å; I367-I371 HydrophobicContact CG1-CD1 4.02Å; I367-I371 HydrophobicContact CG1-CG1 4.38Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.36Å; I367-I371 PolarHBondContact O-N 3.24Å; I367-Y396 HydrophobicContact CG2-CE2 3.93Å
368I94.6Very high91.9Very high21 Ų2151 Ų5111%0.10829%0.289CS..Hα-helixtrans-58.7-46.4175.5-71.8165.2000111H364 S366 R370 I371 K372 Y392 E402H364-I368 WeakPolarHBondContact NE2-CD1 3.41Å; H364-I368 WeakPolarHBondContact O-CG1 3.48Å; H364-I368 PolarHBondContact O-N 2.74Å; S366-I368 PolarHBondContact O-N 2.66Å; I368-R370 VanDerWaalsContact C-N 3.31Å; I368-R370 PolarHBondContact O-N 3.49Å; I368-I371 PolarHBondContact O-N 2.86Å; I368-K372 HydrophobicContact CG2-CD 4.14Å; I368-K372 HydrophobicContact CG2-CG 4.49Å; I368-K372 WeakPolarHBondContact O-CG 3.2Å; I368-K372 PolarHBondContact O-N 3.44Å; I368-Y392 HydrophobicContact CD1-CE2 4.28Å; I368-Y392 HydrophobicContact CG1-CE2 3.6Å; I368-E402 HydrophobicContact CD1-CB 3.85Å; I368-E402 HydrophobicContact CD1-CG 3.63Å
369S94.9Very high92.1Very high69 Ų6957.3 Ų57.348%0.48331%0.313SS..Hα-helixtrans-63-40.6-178.372.80000111.5S366 I367 S373S366-S369 PolarHBondContact O-N 2.87Å; S366-S369 VanDerWaalsContact O-N 3.14Å; S366-S369 PolarHBondContact O-OG 3.01Å; I367-S369 VanDerWaalsContact C-N 3.33Å; I367-S369 PolarHBondContact O-N 3.2Å; S369-S373 PolarHBondContact O-N 3.3Å; S369-S373 VanDerWaalsContact O-N 3.07Å
370R96.1Very high92.4Very high70 Ų7057.3 Ų57.326%0.26431%0.313SS..Hα-helixtrans-66.5-45.8176.9-65.1-174.770.1166.47.4111.9E353 V354 E357 S366 I367 I368 K372 S373 L374E353-R370 IonicContact OE1-CZ 3.79Å; E353-R370 IonicContact OE1-NH1 3.79Å; E353-R370 PolarHBondContact OE1-NH1 3.23Å; E353-R370 VanDerWaalsContact OE1-NH1 3.17Å; E353-R370 IonicContact OE1-NH2 2.88Å; E353-R370 PolarHBondContact OE1-NH2 3.35Å; E353-R370 IonicContact OE2-NH2 3.71Å; V354-R370 HydrophobicContact CG2-CB 4.01Å; E357-R370 WeakPolarHBondContact OE2-CD 3.41Å; E357-R370 IonicContact OE2-CZ 2.76Å; E357-R370 IonicContact OE2-NE 3.33Å; E357-R370 IonicContact OE2-NH1 3.28Å; E357-R370 PolarHBondContact OE2-NH1 3.27Å; S366-R370 WeakPolarHBondContact O-CG 3.26Å; S366-R370 PolarHBondContact O-N 2.97Å; S366-R370 VanDerWaalsContact O-N 3.14Å; I367-R370 PolarHBondContact O-N 2.94Å; I368-R370 VanDerWaalsContact C-N 3.31Å; I368-R370 PolarHBondContact O-N 3.49Å; R370-K372 PolarHBondContact O-N 3.13Å; R370-S373 WeakPolarHBondContact O-CB 3.4Å; R370-S373 PolarHBondContact O-N 3.32Å; R370-L374 PolarHBondContact O-N 3.37Å
371I97.3Very high92.9Very high0 Ų059.9 Ų59.90%033%0.326CS..Hα-helixtrans-59.5-47.2176.9-67.4168.9000110.3V354 L358 I367 I368 S373 L374 I375 L388 V389 Y392 L406V354-I371 HydrophobicContact CG1-CG1 3.71Å; L358-I371 HydrophobicContact CD2-CD1 4.33Å; I367-I371 HydrophobicContact CG1-CD1 4.02Å; I367-I371 HydrophobicContact CG1-CG1 4.38Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.36Å; I367-I371 PolarHBondContact O-N 3.24Å; I368-I371 PolarHBondContact O-N 2.86Å; I371-S373 VanDerWaalsContact C-N 3.3Å; I371-S373 PolarHBondContact O-N 3.48Å; I371-L374 PolarHBondContact O-N 3Å; I371-L374 VanDerWaalsContact O-N 3.15Å; I371-I375 HydrophobicContact CG2-CD1 3.69Å; I371-I375 HydrophobicContact CG2-CG1 4.18Å; I371-I375 VanDerWaalsContact O-CG1 3.31Å; I371-I375 WeakPolarHBondContact O-CG1 3.39Å; I371-I375 PolarHBondContact O-N 2.62Å; I371-L388 HydrophobicContact CG2-CB 4.42Å; I371-V389 HydrophobicContact CG2-CG2 4.34Å; I371-Y392 HydrophobicContact CD1-CD2 3.79Å; I371-Y392 HydrophobicContact CD1-CG 4.2Å; I371-L406 HydrophobicContact CB-CD2 4.35Å; I371-L406 HydrophobicContact CG2-CD1 4.23Å; I371-L406 HydrophobicContact CG2-CD2 3.81Å
372K96.6Very high93.5Very high89 Ų8956.2 Ų56.239%0.38731%0.314SS..Hα-helixtrans-58.6-41.6177.1-75.1-179177.8-179.80112.6I368 R370 I375 S376 L406I368-K372 HydrophobicContact CG2-CD 4.14Å; I368-K372 HydrophobicContact CG2-CG 4.49Å; I368-K372 WeakPolarHBondContact O-CG 3.2Å; I368-K372 PolarHBondContact O-N 3.44Å; R370-K372 PolarHBondContact O-N 3.13Å; K372-I375 PolarHBondContact O-N 3.3Å; K372-S376 PolarHBondContact O-N 2.81Å; K372-S376 PolarHBondContact O-OG 2.74Å; K372-S376 VanDerWaalsContact O-OG 3.1Å; K372-L406 HydrophobicContact CG-CD2 3.62Å
373S96.8Very high94.3Very high83 Ų8352.4 Ų52.458%0.5830%0.297SS*.Hα-helixtrans-61.7-43.9175.8-171.80000111.8S369 R370 I371 S376 D377S369-S373 PolarHBondContact O-N 3.3Å; S369-S373 VanDerWaalsContact O-N 3.07Å; R370-S373 WeakPolarHBondContact O-CB 3.4Å; R370-S373 PolarHBondContact O-N 3.32Å; I371-S373 VanDerWaalsContact C-N 3.3Å; I371-S373 PolarHBondContact O-N 3.48Å; S373-S376 PolarHBondContact O-N 2.75Å; S373-D377 PolarHBondContact O-N 2.75Å
374L97.3Very high94.8Very high18 Ų1849.8 Ų49.89%0.09428%0.283CS..Hα-helixtrans-69.9-38.8178.6-70.5-179.2000112.7E350 V354 R370 I371 S376 D377 I380 L388E350-L374 HydrophobicContact CB-CD2 4.26Å; V354-L374 HydrophobicContact CB-CD1 3.91Å; V354-L374 HydrophobicContact CG1-CD1 4.28Å; V354-L374 HydrophobicContact CG2-CD1 3.52Å; R370-L374 PolarHBondContact O-N 3.37Å; I371-L374 PolarHBondContact O-N 3Å; I371-L374 VanDerWaalsContact O-N 3.15Å; L374-S376 PolarHBondContact O-N 3.32Å; L374-D377 PolarHBondContact O-N 3.39Å; L374-D377 VanDerWaalsContact O-N 3.13Å; L374-I380 HydrophobicContact CD2-CD1 4.31Å; L374-I380 HydrophobicContact CD2-CG1 4.46Å; L374-I380 WeakPolarHBondContact O-CG1 3.37Å; L374-L388 HydrophobicContact CB-CD1 4.12Å; L374-L388 HydrophobicContact CD1-CD1 3.72Å
375I97.5Very high95.2Very high0 Ų047.7 Ų47.70%027%0.273CS..Hα-helixtrans-57.9-38.6175.2-68.9168.1000110.5I371 K372 D377 A385 V389 L406 L410 R413I371-I375 HydrophobicContact CG2-CD1 3.69Å; I371-I375 HydrophobicContact CG2-CG1 4.18Å; I371-I375 VanDerWaalsContact O-CG1 3.31Å; I371-I375 WeakPolarHBondContact O-CG1 3.39Å; I371-I375 PolarHBondContact O-N 2.62Å; K372-I375 PolarHBondContact O-N 3.3Å; I375-D377 VanDerWaalsContact C-N 3.35Å; I375-A385 HydrophobicContact CG1-CB 4.15Å; I375-V389 HydrophobicContact CD1-CG2 3.81Å; I375-L406 HydrophobicContact CD1-CD2 4.15Å; I375-L410 HydrophobicContact CD1-CD2 4.4Å; I375-L410 HydrophobicContact CD1-CG 4.47Å; I375-L410 HydrophobicContact CG1-CD2 4.34Å; I375-L410 HydrophobicContact CG2-CD2 4.32Å; I375-R413 HydrophobicContact CG2-CG 4.08Å; I375-R413 VanDerWaalsContact O-CD 3.26Å; I375-R413 WeakPolarHBondContact O-CD 3.33Å; I375-R413 WeakPolarHBondContact O-CG 3.17Å; I375-R413 PolarHBondContact O-NE 3.14Å
376S95.8Very high95.7Very high87 Ų8743.5 Ų43.561%0.60824%0.244SC*.Hα-helixtrans-80.5-12.3-178.6-60.40000113.8K372 S373 L374K372-S376 PolarHBondContact O-N 2.81Å; K372-S376 PolarHBondContact O-OG 2.74Å; K372-S376 VanDerWaalsContact O-OG 3.1Å; S373-S376 PolarHBondContact O-N 2.75Å; L374-S376 PolarHBondContact O-N 3.32Å
377D95.7Very high95.9Very high29 Ų2942.1 Ų42.116%0.15523%0.233CC..  trans-77.2120.6179.2-173.3-30.1000110.3S373 L374 I375 R379 I380S373-D377 PolarHBondContact O-N 2.75Å; L374-D377 PolarHBondContact O-N 3.39Å; L374-D377 VanDerWaalsContact O-N 3.13Å; I375-D377 VanDerWaalsContact C-N 3.35Å; D377-R379 PolarHBondContact O-N 2.92Å; D377-R379 VanDerWaalsContact OD1-CB 3.3Å; D377-R379 WeakPolarHBondContact OD1-CB 3.23Å; D377-R379 WeakPolarHBondContact OD1-CG 3.13Å; D377-R379 PolarHBondContact OD1-N 3.4Å; D377-R379 IonicContact OD1-NE 3.63Å; D377-R379 PolarHBondContact OD1-NE 3.25Å; D377-R379 VanDerWaalsContact OD1-NE 3.1Å; D377-R379 IonicContact OD2-CZ 2.71Å; D377-R379 VanDerWaalsContact OD2-CZ 3.32Å; D377-R379 IonicContact OD2-NE 3.38Å; D377-R379 PolarHBondContact OD2-NE 3.46Å; D377-R379 VanDerWaalsContact OD2-NE 3.17Å; D377-R379 IonicContact OD2-NH2 3.91Å; D377-R379 PolarHBondContact OD2-NH2 2.88Å; D377-I380 HydrophobicContact CB-CG1 3.81Å; D377-I380 PolarHBondContact O-N 3.46Å
378P93.5Very high96.2Very high111 Ų11142.1 Ų42.172%0.72123%0.232SC*.THydrogen-bonded Turntrans-67.6-16.4-176.228.1-36.3000114.1I380P378-I380 VanDerWaalsContact C-N 3.31Å
379R94.3Very high96.3Very high132 Ų13241.1 Ų41.150%0.49823%0.227SC..THydrogen-bonded Turntrans-74-25.3176.9-58.7174.9-66.3158.50.9112.3H346 D377H346-R379 WeakPolarHBondContact CA-O 3.32Å; D377-R379 PolarHBondContact O-N 2.92Å; D377-R379 VanDerWaalsContact OD1-CB 3.3Å; D377-R379 WeakPolarHBondContact OD1-CB 3.23Å; D377-R379 WeakPolarHBondContact OD1-CG 3.13Å; D377-R379 PolarHBondContact OD1-N 3.4Å; D377-R379 IonicContact OD1-NE 3.63Å; D377-R379 PolarHBondContact OD1-NE 3.25Å; D377-R379 VanDerWaalsContact OD1-NE 3.1Å; D377-R379 IonicContact OD2-CZ 2.71Å; D377-R379 VanDerWaalsContact OD2-CZ 3.32Å; D377-R379 IonicContact OD2-NE 3.38Å; D377-R379 PolarHBondContact OD2-NE 3.46Å; D377-R379 VanDerWaalsContact OD2-NE 3.17Å; D377-R379 IonicContact OD2-NH2 3.91Å; D377-R379 PolarHBondContact OD2-NH2 2.88Å
380I96Very high96.5Very high2 Ų237.8 Ų37.81%0.0120%0.204CC..SBendtrans-78.4134.5-178.2-53.5-61.9000108.4A347 I351 L374 D377 P378 D384 A385 R413A347-I380 HydrophobicContact CB-CD1 3.81Å; I351-I380 HydrophobicContact CD1-CD1 3.7Å; I351-I380 HydrophobicContact CD1-CG2 3.79Å; I351-I380 HydrophobicContact CG1-CD1 3.63Å; I351-I380 HydrophobicContact CG1-CG2 4.37Å; L374-I380 HydrophobicContact CD2-CD1 4.31Å; L374-I380 HydrophobicContact CD2-CG1 4.46Å; L374-I380 WeakPolarHBondContact O-CG1 3.37Å; D377-I380 HydrophobicContact CB-CG1 3.81Å; D377-I380 PolarHBondContact O-N 3.46Å; P378-I380 VanDerWaalsContact C-N 3.31Å; I380-D384 HydrophobicContact CG2-CB 4.21Å; I380-A385 HydrophobicContact CG2-CB 4.32Å; I380-R413 PolarHBondContact O-NH2 3.22Å
381L95.4Very high96.4Very high68 Ų6834.5 Ų34.536%0.35619%0.192SC..  trans-71.8149.8173.4-62.8-178.4000110.6H346 S383 D384 A385H346-L381 WeakPolarHBondContact CE1-CD1 3.4Å; H346-L381 WeakPolarHBondContact ND1-CD1 3.29Å; L381-S383 PolarHBondContact O-N 3.43Å; L381-D384 WeakPolarHBondContact CB-OD2 3.39Å; L381-D384 PolarHBondContact O-N 3.05Å; L381-D384 VanDerWaalsContact O-N 3.12Å; L381-A385 PolarHBondContact O-N 3.21Å
382L96.2Very high96.4Very high32 Ų3234.5 Ų34.517%0.16819%0.192CC..Hα-helixtrans-60.6-34.2176-175.557.2000112A385 L386 L410 R413 A415 I605L382-A385 PolarHBondContact O-N 3.44Å; L382-L386 WeakPolarHBondContact O-CB 3.26Å; L382-L386 PolarHBondContact O-N 3.43Å; L382-L410 HydrophobicContact CD1-CD2 4.14Å; L382-R413 HydrophobicContact CD1-CB 4.02Å; L382-A415 HydrophobicContact CD1-CB 4.26Å; L382-A415 HydrophobicContact CD2-CB 4.43Å; L382-I605 HydrophobicContact CB-CD1 4.46Å; L382-I605 HydrophobicContact CD2-CD1 3.99Å; L382-I605 HydrophobicContact CG-CD1 4.22Å
383S95.1Very high96.3Very high43 Ų4330.3 Ų30.330%0.30117%0.174SC..Hα-helixtrans-63.6-41174.251.40000112.7L381 L386 R387L381-S383 PolarHBondContact O-N 3.43Å; S383-L386 WeakPolarHBondContact O-CB 3.46Å; S383-L386 PolarHBondContact O-N 3.21Å; S383-R387 WeakPolarHBondContact O-CG 3.5Å; S383-R387 PolarHBondContact O-N 3.37Å
384D96.8Very high96Very high15 Ų1526.8 Ų26.88%0.0815%0.148CC..Hα-helixtrans-73.2-37.4178.6-62.8-50.4000111.8I351 I380 L381 L386 R387 L388I351-D384 HydrophobicContact CD1-CB 3.57Å; I380-D384 HydrophobicContact CG2-CB 4.21Å; L381-D384 WeakPolarHBondContact CB-OD2 3.39Å; L381-D384 PolarHBondContact O-N 3.05Å; L381-D384 VanDerWaalsContact O-N 3.12Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.9Å; D384-R387 PolarHBondContact O-N 2.83Å; D384-R387 IonicContact OD1-CZ 3.17Å; D384-R387 IonicContact OD1-NE 3.28Å; D384-R387 PolarHBondContact OD1-NE 2.92Å; D384-R387 VanDerWaalsContact OD1-NE 3.12Å; D384-R387 IonicContact OD1-NH2 2.72Å; D384-R387 PolarHBondContact OD1-NH2 3.11Å; D384-L388 PolarHBondContact O-N 3.26Å
385A97.6Very high95.7Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-59.5-42.4170.500000111.5I375 I380 L381 L382 L388 V389 L410I375-A385 HydrophobicContact CG1-CB 4.15Å; I380-A385 HydrophobicContact CG2-CB 4.32Å; L381-A385 PolarHBondContact O-N 3.21Å; L382-A385 PolarHBondContact O-N 3.44Å; A385-L388 PolarHBondContact O-N 2.85Å; A385-V389 PolarHBondContact O-N 2.94Å; A385-L410 HydrophobicContact CB-CD2 3.84Å
386L97.6Very high95.3Very high6 Ų629.5 Ų29.53%0.03116%0.157CC..Hα-helixtrans-61.6-45.4173.6178.263000111.2L382 S383 D384 L388 V389 L390 L410 D419 I423L382-L386 WeakPolarHBondContact O-CB 3.26Å; L382-L386 PolarHBondContact O-N 3.43Å; S383-L386 WeakPolarHBondContact O-CB 3.46Å; S383-L386 PolarHBondContact O-N 3.21Å; D384-L386 VanDerWaalsContact C-N 3.31Å; D384-L386 PolarHBondContact O-N 2.9Å; L386-L388 VanDerWaalsContact C-N 3.31Å; L386-L388 PolarHBondContact O-N 3.08Å; L386-V389 CarbonylContact O-C 3.59Å; L386-V389 PolarHBondContact O-N 3.04Å; L386-L390 HydrophobicContact CD1-CG 4.25Å; L386-L390 HydrophobicContact CG-CD1 4Å; L386-L390 HydrophobicContact CG-CG 4.22Å; L386-L390 VanDerWaalsContact O-CG 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.46Å; L386-L390 PolarHBondContact O-N 3.26Å; L386-L410 HydrophobicContact CD1-CD1 3.92Å; L386-D419 HydrophobicContact CD2-CB 4.19Å; L386-I423 HydrophobicContact CD1-CD1 4.34Å; L386-I423 HydrophobicContact CD1-CG1 4.13Å
387R97.2Very high94.8Very high9 Ų927.7 Ų27.73%0.03415%0.145CC..Hα-helixtrans-55.8-42.1176.1-71-171.6-50.5105.73.4112.6L226 E355 S383 D384 V389 L390 L391L226-R387 PolarHBondContact O-NH1 3.11Å; E355-R387 IonicContact OE1-CZ 3.85Å; E355-R387 IonicContact OE1-NH1 3.93Å; E355-R387 PolarHBondContact OE1-NH1 3.37Å; E355-R387 IonicContact OE1-NH2 3.81Å; E355-R387 PolarHBondContact OE1-NH2 3.03Å; S383-R387 WeakPolarHBondContact O-CG 3.5Å; S383-R387 PolarHBondContact O-N 3.37Å; D384-R387 PolarHBondContact O-N 2.83Å; D384-R387 IonicContact OD1-CZ 3.17Å; D384-R387 IonicContact OD1-NE 3.28Å; D384-R387 PolarHBondContact OD1-NE 2.92Å; D384-R387 VanDerWaalsContact OD1-NE 3.12Å; D384-R387 IonicContact OD1-NH2 2.72Å; D384-R387 PolarHBondContact OD1-NH2 3.11Å; R387-V389 VanDerWaalsContact C-N 3.33Å; R387-V389 PolarHBondContact O-N 2.65Å; R387-L390 WeakPolarHBondContact O-CB 3.05Å; R387-L390 PolarHBondContact O-N 3.13Å; R387-L391 WeakPolarHBondContact O-CG 2.99Å; R387-L391 PolarHBondContact O-N 2.65Å
388L97.5Very high94.4Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-60.1-42.8174.4-72.5174.8000112.3I351 V354 E355 I371 L374 D384 A385 L386 Y392I351-L388 HydrophobicContact CG2-CD1 4.13Å; I351-L388 HydrophobicContact CG2-CD2 3.96Å; I351-L388 HydrophobicContact CG2-CG 4.01Å; V354-L388 HydrophobicContact CB-CD2 4.26Å; V354-L388 HydrophobicContact CG1-CD2 3.92Å; E355-L388 HydrophobicContact CG-CD2 3.61Å; I371-L388 HydrophobicContact CG2-CB 4.42Å; L374-L388 HydrophobicContact CB-CD1 4.12Å; L374-L388 HydrophobicContact CD1-CD1 3.72Å; D384-L388 PolarHBondContact O-N 3.26Å; A385-L388 PolarHBondContact O-N 2.85Å; L386-L388 VanDerWaalsContact C-N 3.31Å; L386-L388 PolarHBondContact O-N 3.08Å; L388-Y392 WeakPolarHBondContact O-CB 3.38Å; L388-Y392 PolarHBondContact O-N 3.34Å
389V97.9Very high94.3Very high0 Ų033.5 Ų33.50%016%0.158CC..Hα-helixtrans-69.8-35.2178.2177.60000111.6I371 I375 A385 L386 R387 Y392 A393 L403 L406 L410 I423I371-V389 HydrophobicContact CG2-CG2 4.34Å; I375-V389 HydrophobicContact CD1-CG2 3.81Å; A385-V389 PolarHBondContact O-N 2.94Å; L386-V389 CarbonylContact O-C 3.59Å; L386-V389 PolarHBondContact O-N 3.04Å; R387-V389 VanDerWaalsContact C-N 3.33Å; R387-V389 PolarHBondContact O-N 2.65Å; V389-Y392 PolarHBondContact O-N 3.05Å; V389-A393 WeakPolarHBondContact O-CB 3.02Å; V389-A393 PolarHBondContact O-N 3.11Å; V389-L403 HydrophobicContact CG1-CD1 3.94Å; V389-L406 HydrophobicContact CG1-CB 4.25Å; V389-L406 HydrophobicContact CG2-CB 4.08Å; V389-L410 HydrophobicContact CB-CD1 3.86Å; V389-L410 HydrophobicContact CG1-CD1 4Å; V389-L410 HydrophobicContact CG2-CD1 3.69Å; V389-L410 HydrophobicContact CG2-CD2 4.36Å; V389-L410 HydrophobicContact CG2-CG 4.05Å; V389-I423 HydrophobicContact CG1-CD1 3.8Å
390L97.2Very high94.1Very high0 Ų035.2 Ų35.20%017%0.17CC..Hα-helixtrans-62.3-49.4173.8-70.3170.8000111.4L226 L386 R387 Y392 A393 L394 T422 I423 L426 L572L226-L390 HydrophobicContact CD1-CB 4.25Å; L386-L390 HydrophobicContact CD1-CG 4.25Å; L386-L390 HydrophobicContact CG-CD1 4Å; L386-L390 HydrophobicContact CG-CG 4.22Å; L386-L390 VanDerWaalsContact O-CG 3.29Å; L386-L390 WeakPolarHBondContact O-CG 3.46Å; L386-L390 PolarHBondContact O-N 3.26Å; R387-L390 WeakPolarHBondContact O-CB 3.05Å; R387-L390 PolarHBondContact O-N 3.13Å; L390-Y392 PolarHBondContact O-N 2.81Å; L390-A393 PolarHBondContact O-N 2.97Å; L390-L394 WeakPolarHBondContact O-CG 3.28Å; L390-L394 PolarHBondContact O-N 2.88Å; L390-T422 HydrophobicContact CD1-CG2 4.23Å; L390-T422 HydrophobicContact CD2-CG2 4.16Å; L390-I423 HydrophobicContact CD2-CB 4.13Å; L390-I423 HydrophobicContact CD2-CG1 3.71Å; L390-L426 HydrophobicContact CB-CD2 3.66Å; L390-L426 HydrophobicContact CD1-CD2 4.48Å; L390-L426 HydrophobicContact CD2-CB 4.15Å; L390-L426 HydrophobicContact CD2-CD2 3.66Å; L390-L426 HydrophobicContact CG-CD2 4.12Å; L390-L572 HydrophobicContact CD1-CD1 3.88Å; L390-L572 HydrophobicContact CD1-CD2 3.75Å; L390-L572 HydrophobicContact CD1-CG 4.48Å
391L95.8Very high94Very high0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-58.9-38.6173.7-72.1168.4000111.5V223 L226 L227 E355 L358 V359 R387 L394 R395V223-L391 HydrophobicContact CG1-CD2 4.1Å; V223-L391 HydrophobicContact CG2-CD2 4.43Å; L226-L391 HydrophobicContact CB-CD2 3.83Å; L226-L391 HydrophobicContact CB-CG 4.14Å; L226-L391 HydrophobicContact CD1-CD2 4.28Å; L227-L391 HydrophobicContact CD2-CD1 3.9Å; L227-L391 HydrophobicContact CD2-CD2 4.29Å; E355-L391 HydrophobicContact CB-CD1 4.2Å; E355-L391 HydrophobicContact CG-CD1 3.82Å; L358-L391 HydrophobicContact CD2-CB 3.5Å; L358-L391 HydrophobicContact CG-CB 4.44Å; V359-L391 HydrophobicContact CG2-CD2 4.32Å; R387-L391 WeakPolarHBondContact O-CG 2.99Å; R387-L391 PolarHBondContact O-N 2.65Å; L391-L394 PolarHBondContact O-N 3.15Å; L391-R395 PolarHBondContact O-N 3.01Å
392Y96.1Very high94Very high0 Ų042.6 Ų42.60%020%0.202CC..Hα-helixtrans-66.9-43.1178.2174.8-82.9000111.2L358 H364 I368 I371 L388 V389 L390 L394 R395 Y396 E402 L403 L406L358-Y392 HydrophobicContact CD1-CD2 4.25Å; H364-Y392 AromaticContact CD2-CE2 3.9Å; H364-Y392 AromaticContact NE2-CE2 3.85Å; H364-Y392 AromaticContact NE2-CZ 3.72Å; H364-Y392 PolarHBondContact NE2-OH 3.36Å; I368-Y392 HydrophobicContact CD1-CE2 4.28Å; I368-Y392 HydrophobicContact CG1-CE2 3.6Å; I371-Y392 HydrophobicContact CD1-CD2 3.79Å; I371-Y392 HydrophobicContact CD1-CG 4.2Å; L388-Y392 WeakPolarHBondContact O-CB 3.38Å; L388-Y392 PolarHBondContact O-N 3.34Å; V389-Y392 PolarHBondContact O-N 3.05Å; L390-Y392 PolarHBondContact O-N 2.81Å; Y392-L394 VanDerWaalsContact C-N 3.31Å; Y392-L394 PolarHBondContact O-N 2.71Å; Y392-R395 PolarHBondContact O-N 2.83Å; Y392-Y396 AromaticContact CD2-CD2 3.61Å; Y392-Y396 HydrophobicContact CD2-CD2 3.61Å; Y392-Y396 HydrophobicContact CD2-CE2 4.26Å; Y392-Y396 AromaticContact CE2-CD2 3.52Å; Y392-Y396 HydrophobicContact CE2-CD2 3.52Å; Y392-Y396 HydrophobicContact CE2-CE2 4.24Å; Y392-Y396 HydrophobicContact CE2-CG 4.17Å; Y392-Y396 HydrophobicContact CG-CD2 4.31Å; Y392-Y396 PolarHBondContact O-N 2.96Å; Y392-E402 WeakPolarHBondContact OH-CB 3.2Å; Y392-L403 HydrophobicContact CD1-CD1 4.05Å; Y392-L403 HydrophobicContact CE1-CB 4.12Å; Y392-L403 HydrophobicContact CE1-CD1 4.35Å; Y392-L406 HydrophobicContact CD1-CD1 3.51Å; Y392-L406 HydrophobicContact CD2-CD1 4.02Å; Y392-L406 HydrophobicContact CE1-CD1 3.76Å; Y392-L406 HydrophobicContact CE2-CD1 4.23Å; Y392-L406 HydrophobicContact CG-CD1 3.66Å
393A94.4Very high94Very high1 Ų141.9 Ų41.91%0.00820%0.198CC..Hα-helixtrans-61.5-41.1176.700000111.2V389 L390 S397 L403 I423 L427V389-A393 WeakPolarHBondContact O-CB 3.02Å; V389-A393 PolarHBondContact O-N 3.11Å; L390-A393 PolarHBondContact O-N 2.97Å; A393-S397 WeakPolarHBondContact O-CA 3.18Å; A393-S397 VanDerWaalsContact O-CB 3.3Å; A393-S397 WeakPolarHBondContact O-CB 3.09Å; A393-S397 PolarHBondContact O-N 2.91Å; A393-L403 HydrophobicContact CB-CD1 3.99Å; A393-L403 HydrophobicContact CB-CD2 4.17Å; A393-I423 HydrophobicContact CB-CG2 3.72Å; A393-L427 HydrophobicContact CB-CD1 4.37Å; A393-L427 HydrophobicContact CB-CD2 4.19Å; A393-L427 HydrophobicContact CB-CG 4.41Å; A393-L427 WeakPolarHBondContact O-CD2 3.17Å
394L92Very high94Very high9 Ų941 Ų415%0.04720%0.197CC..Hα-helixtrans-61.1-49.8174.6-71.2175.8000111.8V223 L226 L390 L391 Y392 L426 L427 S430 I433 F442V223-L394 HydrophobicContact CG2-CD1 3.97Å; L226-L394 HydrophobicContact CD1-CD1 4.01Å; L390-L394 WeakPolarHBondContact O-CG 3.28Å; L390-L394 PolarHBondContact O-N 2.88Å; L391-L394 PolarHBondContact O-N 3.15Å; Y392-L394 VanDerWaalsContact C-N 3.31Å; Y392-L394 PolarHBondContact O-N 2.71Å; L394-L426 HydrophobicContact CD1-CD2 3.94Å; L394-L426 HydrophobicContact CD1-CG 4.48Å; L394-L426 HydrophobicContact CD2-CD2 4.24Å; L394-L426 HydrophobicContact CD2-CG 4.11Å; L394-L426 HydrophobicContact CG-CD2 3.97Å; L394-L426 HydrophobicContact CG-CG 4.39Å; L394-L427 HydrophobicContact CD2-CD2 4.4Å; L394-S430 VanDerWaalsContact CD2-OG 3.28Å; L394-S430 WeakPolarHBondContact CD2-OG 3.37Å; L394-I433 WeakPolarHBondContact O-CD1 3.43Å; L394-F442 HydrophobicContact CB-CZ 4.16Å
395R89.6Confident94.1Very high55 Ų5541.2 Ų41.221%0.20820%0.202CC..Hα-helixtrans-71.7-44-176.7177.362.6-175.7-166.1-0.9113.1L358 D362 L391 Y392 F442L358-R395 HydrophobicContact CD1-CB 4.27Å; L358-R395 HydrophobicContact CD1-CG 4.37Å; D362-R395 VanDerWaalsContact CG-NH2 3.33Å; D362-R395 IonicContact OD1-CZ 2.89Å; D362-R395 IonicContact OD1-NE 2.78Å; D362-R395 IonicContact OD1-NH2 3.65Å; D362-R395 PolarHBondContact OD1-NH2 3.38Å; L391-R395 PolarHBondContact O-N 3.01Å; Y392-R395 PolarHBondContact O-N 2.83Å; R395-F442 VanDerWaalsContact CA-CZ 3.47Å; R395-F442 HydrophobicContact CB-CD1 4.48Å; R395-F442 HydrophobicContact CB-CE1 3.75Å; R395-F442 HydrophobicContact CB-CE2 4.44Å; R395-F442 HydrophobicContact CB-CZ 3.73Å; R395-F442 HydrophobicContact CG-CE1 4.27Å; R395-F442 HydrophobicContact CG-CZ 4.47Å
396Y90.2Very high94.1Very high20 Ų2041.2 Ų41.28%0.07820%0.202CC..THydrogen-bonded Turntrans-117.441.4-170.9-59.3-68.8000112.3L358 D362 H364 I367 Y392 K398 Q399L358-Y396 HydrophobicContact CD1-CD2 3.96Å; L358-Y396 HydrophobicContact CD1-CE2 3.51Å; D362-Y396 PolarHBondContact OD1-OH 3.09Å; H364-Y396 HydrophobicContact CB-CE1 4.02Å; H364-Y396 AromaticContact CD2-CD1 3.91Å; H364-Y396 AromaticContact CD2-CD2 3.95Å; H364-Y396 AromaticContact CD2-CE1 4Å; H364-Y396 AromaticContact CD2-CG 3.89Å; I367-Y396 HydrophobicContact CG2-CE2 3.93Å; Y392-Y396 AromaticContact CD2-CD2 3.61Å; Y392-Y396 HydrophobicContact CD2-CD2 3.61Å; Y392-Y396 HydrophobicContact CD2-CE2 4.26Å; Y392-Y396 AromaticContact CE2-CD2 3.52Å; Y392-Y396 HydrophobicContact CE2-CD2 3.52Å; Y392-Y396 HydrophobicContact CE2-CE2 4.24Å; Y392-Y396 HydrophobicContact CE2-CG 4.17Å; Y392-Y396 HydrophobicContact CG-CD2 4.31Å; Y392-Y396 PolarHBondContact O-N 2.96Å; Y396-K398 PolarHBondContact O-N 3.4Å; Y396-Q399 WeakPolarHBondContact O-CB 3.48Å; Y396-Q399 PolarHBondContact O-N 3.22Å
397S84.2Confident94Very high50 Ų5042.8 Ų42.835%0.3521%0.21SC..THydrogen-bonded Turntrans-53.6-24-178.159.30000115.1A393A393-S397 WeakPolarHBondContact O-CA 3.18Å; A393-S397 VanDerWaalsContact O-CB 3.3Å; A393-S397 WeakPolarHBondContact O-CB 3.09Å; A393-S397 PolarHBondContact O-N 2.91Å
398K87.3Confident94.1Very high187 Ų18749.2 Ų49.281%0.81324%0.24SC*.THydrogen-bonded Turntrans-77.7-21.3176.6-63.1-179.2-178.7175.30113.6Y396 K400Y396-K398 PolarHBondContact O-N 3.4Å; K398-K400 VanDerWaalsContact C-N 3.3Å; K398-K400 PolarHBondContact O-N 2.84Å
399Q91.3Very high94Very high74 Ų7450.6 Ų50.635%0.34625%0.25SS..  trans-86.963.9-174.8-57.4-65.5-3.900111.3Y396 Q401 E402 L403Y396-Q399 WeakPolarHBondContact O-CB 3.48Å; Y396-Q399 PolarHBondContact O-N 3.22Å; Q399-Q401 VanDerWaalsContact C-N 3.35Å; Q399-Q401 PolarHBondContact O-N 3.33Å; Q399-E402 HydrophobicContact CB-CB 4.44Å; Q399-E402 PolarHBondContact O-N 3.03Å; Q399-L403 WeakPolarHBondContact O-CB 3.35Å; Q399-L403 PolarHBondContact O-N 3.31Å
400K91.3Very high94Very high168 Ų16850.6 Ų50.673%0.7325%0.25SS*.Hα-helixtrans-63.2-35.7-171.2-65.8-172.2178.1-173.80113.7K398 G404K398-K400 VanDerWaalsContact C-N 3.3Å; K398-K400 PolarHBondContact O-N 2.84Å; K400-G404 PolarHBondContact O-N 3.18Å
401Q93.8Very high94Very high165 Ų16554.2 Ų54.277%0.77127%0.272SS*.Hα-helixtrans-69-45.9-177.9-178.5175.5-4.700111.1Q399 G404 G405Q399-Q401 VanDerWaalsContact C-N 3.35Å; Q399-Q401 PolarHBondContact O-N 3.33Å; Q401-G404 PolarHBondContact O-N 3.01Å; Q401-G405 PolarHBondContact O-N 3.07Å
402E94.9Very high94.1Very high60 Ų6058.5 Ų58.528%0.2831%0.307SS..Hα-helixtrans-67.1-42.3178.4-66.372.3-16300110.8I368 Y392 Q399 G404 G405 L406I368-E402 HydrophobicContact CD1-CB 3.85Å; I368-E402 HydrophobicContact CD1-CG 3.63Å; Y392-E402 WeakPolarHBondContact OH-CB 3.2Å; Q399-E402 HydrophobicContact CB-CB 4.44Å; Q399-E402 PolarHBondContact O-N 3.03Å; E402-G404 VanDerWaalsContact C-N 3.32Å; E402-G404 PolarHBondContact O-N 2.99Å; E402-G405 PolarHBondContact O-N 3.41Å; E402-G405 VanDerWaalsContact O-N 3.12Å; E402-L406 PolarHBondContact O-N 2.85Å
403L95.4Very high94.1Very high17 Ų1762.4 Ų62.49%0.08932%0.322CS..Hα-helixtrans-58-45172.5179.759.2000111.1V389 Y392 A393 Q399 G405 L406 I407V389-L403 HydrophobicContact CG1-CD1 3.94Å; Y392-L403 HydrophobicContact CD1-CD1 4.05Å; Y392-L403 HydrophobicContact CE1-CB 4.12Å; Y392-L403 HydrophobicContact CE1-CD1 4.35Å; A393-L403 HydrophobicContact CB-CD1 3.99Å; A393-L403 HydrophobicContact CB-CD2 4.17Å; Q399-L403 WeakPolarHBondContact O-CB 3.35Å; Q399-L403 PolarHBondContact O-N 3.31Å; L403-G405 VanDerWaalsContact C-N 3.27Å; L403-G405 PolarHBondContact O-N 3.25Å; L403-L406 PolarHBondContact O-N 3.37Å; L403-L406 VanDerWaalsContact O-N 3.1Å; L403-I407 HydrophobicContact CD1-CD1 4.34Å; L403-I407 HydrophobicContact CD1-CG1 4.45Å; L403-I407 HydrophobicContact CG-CD1 4.01Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.38Å
404G96.9Very high94.2Very high26 Ų2664.7 Ų64.727%0.26835%0.346SS..Hα-helixtrans-57.2-39.1174.300000113K400 Q401 E402 I407 Q408K400-G404 PolarHBondContact O-N 3.18Å; Q401-G404 PolarHBondContact O-N 3.01Å; E402-G404 VanDerWaalsContact C-N 3.32Å; E402-G404 PolarHBondContact O-N 2.99Å; G404-I407 PolarHBondContact O-N 2.86Å; G404-Q408 WeakPolarHBondContact O-CG 3.44Å; G404-Q408 PolarHBondContact O-N 3.13Å
405G96.9Very high94.4Very high18 Ų1864.7 Ų64.719%0.18635%0.348CS..Hα-helixtrans-67.3-35.6174.500000114Q401 E402 L403 S409Q401-G405 PolarHBondContact O-N 3.07Å; E402-G405 PolarHBondContact O-N 3.41Å; E402-G405 VanDerWaalsContact O-N 3.12Å; L403-G405 VanDerWaalsContact C-N 3.27Å; L403-G405 PolarHBondContact O-N 3.25Å; G405-S409 PolarHBondContact O-N 3.38Å; G405-S409 VanDerWaalsContact O-N 3.17Å; G405-S409 PolarHBondContact O-OG 3.16Å
406L97.6Very high94.7Very high0 Ų063.9 Ų63.90%035%0.348CS..Hα-helixtrans-68.5-41.5173.1-64.9-180000111.4I371 K372 I375 V389 Y392 E402 L403 Q408 S409 L410I371-L406 HydrophobicContact CB-CD2 4.35Å; I371-L406 HydrophobicContact CG2-CD1 4.23Å; I371-L406 HydrophobicContact CG2-CD2 3.81Å; K372-L406 HydrophobicContact CG-CD2 3.62Å; I375-L406 HydrophobicContact CD1-CD2 4.15Å; V389-L406 HydrophobicContact CG1-CB 4.25Å; V389-L406 HydrophobicContact CG2-CB 4.08Å; Y392-L406 HydrophobicContact CD1-CD1 3.51Å; Y392-L406 HydrophobicContact CD2-CD1 4.02Å; Y392-L406 HydrophobicContact CE1-CD1 3.76Å; Y392-L406 HydrophobicContact CE2-CD1 4.23Å; Y392-L406 HydrophobicContact CG-CD1 3.66Å; E402-L406 PolarHBondContact O-N 2.85Å; L403-L406 PolarHBondContact O-N 3.37Å; L403-L406 VanDerWaalsContact O-N 3.1Å; L406-Q408 PolarHBondContact O-N 3.39Å; L406-S409 WeakPolarHBondContact O-CB 3.31Å; L406-S409 PolarHBondContact O-N 2.91Å; L406-S409 VanDerWaalsContact O-N 3.1Å; L406-L410 PolarHBondContact O-N 3.25Å
407I97.4Very high94.9Very high40 Ų4069.2 Ų69.221%0.20538%0.378CS..Hα-helixtrans-58.9-46.8174.4-71.1168.1000110.7L403 G404 S409 L410 V411 I420 I423L403-I407 HydrophobicContact CD1-CD1 4.34Å; L403-I407 HydrophobicContact CD1-CG1 4.45Å; L403-I407 HydrophobicContact CG-CD1 4.01Å; L403-I407 WeakPolarHBondContact O-CG1 3.44Å; L403-I407 PolarHBondContact O-N 3.38Å; G404-I407 PolarHBondContact O-N 2.86Å; I407-S409 PolarHBondContact O-N 3.41Å; I407-L410 WeakPolarHBondContact O-CB 3.38Å; I407-L410 PolarHBondContact O-N 2.97Å; I407-L410 VanDerWaalsContact O-N 3.12Å; I407-V411 HydrophobicContact CG2-CG2 4.47Å; I407-V411 WeakPolarHBondContact O-CG2 3.3Å; I407-V411 PolarHBondContact O-N 3.49Å; I407-I420 HydrophobicContact CG2-CD1 4.01Å; I407-I420 HydrophobicContact CG2-CG1 4.26Å; I407-I420 HydrophobicContact CG2-CG2 3.79Å; I407-I423 HydrophobicContact CD1-CD1 4.11Å; I407-I423 HydrophobicContact CG1-CD1 3.73Å
408Q97.3Very high95.3Very high143 Ų14371.1 Ų71.167%0.66839%0.385SS*.Hα-helixtrans-58.7-37.1175.3-73.5173.23.300112.3G404 L406 V411 A412G404-Q408 WeakPolarHBondContact O-CG 3.44Å; G404-Q408 PolarHBondContact O-N 3.13Å; L406-Q408 PolarHBondContact O-N 3.39Å; Q408-V411 PolarHBondContact O-N 3.16Å; Q408-A412 WeakPolarHBondContact O-CB 2.84Å; Q408-A412 PolarHBondContact O-N 2.86Å
409S97.3Very high95.7Very high30 Ų3062.4 Ų62.421%0.2135%0.347CS..Hα-helixtrans-67.5-37.9176.9-53.80000112G405 L406 I407 R413G405-S409 PolarHBondContact O-N 3.38Å; G405-S409 VanDerWaalsContact O-N 3.17Å; G405-S409 PolarHBondContact O-OG 3.16Å; L406-S409 WeakPolarHBondContact O-CB 3.31Å; L406-S409 PolarHBondContact O-N 2.91Å; L406-S409 VanDerWaalsContact O-N 3.1Å; I407-S409 PolarHBondContact O-N 3.41Å; S409-R413 PolarHBondContact O-N 2.82Å
410L97.6Very high95.9Very high0 Ų060.1 Ų60.10%034%0.337CS..Hα-helixtrans-65.7-45.3173.1-73176.5000112I375 L382 A385 L386 V389 L406 I407 A412 R413 G414 A415 I420I375-L410 HydrophobicContact CD1-CD2 4.4Å; I375-L410 HydrophobicContact CD1-CG 4.47Å; I375-L410 HydrophobicContact CG1-CD2 4.34Å; I375-L410 HydrophobicContact CG2-CD2 4.32Å; L382-L410 HydrophobicContact CD1-CD2 4.14Å; A385-L410 HydrophobicContact CB-CD2 3.84Å; L386-L410 HydrophobicContact CD1-CD1 3.92Å; V389-L410 HydrophobicContact CB-CD1 3.86Å; V389-L410 HydrophobicContact CG1-CD1 4Å; V389-L410 HydrophobicContact CG2-CD1 3.69Å; V389-L410 HydrophobicContact CG2-CD2 4.36Å; V389-L410 HydrophobicContact CG2-CG 4.05Å; L406-L410 PolarHBondContact O-N 3.25Å; I407-L410 WeakPolarHBondContact O-CB 3.38Å; I407-L410 PolarHBondContact O-N 2.97Å; I407-L410 VanDerWaalsContact O-N 3.12Å; L410-A412 VanDerWaalsContact C-N 3.3Å; L410-A412 PolarHBondContact O-N 3.15Å; L410-R413 CarbonylContact O-C 3.48Å; L410-R413 WeakPolarHBondContact O-CA 3.28Å; L410-R413 WeakPolarHBondContact O-CB 3.38Å; L410-R413 PolarHBondContact O-N 3.47Å; L410-G414 PolarHBondContact O-N 2.91Å; L410-A415 HydrophobicContact CB-CB 3.84Å; L410-A415 WeakPolarHBondContact O-CB 3.4Å; L410-A415 PolarHBondContact O-N 3.31Å; L410-I420 HydrophobicContact CB-CD1 4.15Å; L410-I420 HydrophobicContact CD1-CD1 4.26Å
411V97.6Very high96Very high75 Ų7557.7 Ų57.746%0.45532%0.323SS..Hα-helixtrans-61-41.3177.4173.20000110.7I407 Q408 R413 G414 I420I407-V411 HydrophobicContact CG2-CG2 4.47Å; I407-V411 WeakPolarHBondContact O-CG2 3.3Å; I407-V411 PolarHBondContact O-N 3.49Å; Q408-V411 PolarHBondContact O-N 3.16Å; V411-R413 PolarHBondContact O-N 3.35Å; V411-G414 PolarHBondContact O-N 3.13Å; V411-I420 HydrophobicContact CG2-CD1 4.11Å; V411-I420 HydrophobicContact CG2-CG1 3.99Å
412A96.8Very high96.1Very high90 Ų9050.2 Ų50.274%0.74429%0.289SS*.Hα-helixtrans-61.5-26.4174.600000113.3Q408 L410 G414Q408-A412 WeakPolarHBondContact O-CB 2.84Å; Q408-A412 PolarHBondContact O-N 2.86Å; L410-A412 VanDerWaalsContact C-N 3.3Å; L410-A412 PolarHBondContact O-N 3.15Å; A412-G414 VanDerWaalsContact C-N 3.35Å
413R95.7Very high96.1Very high82 Ų8247.4 Ų47.431%0.30928%0.276SS..THydrogen-bonded Turntrans-86.6-1173.3-82.8-89.9-74.5151.64.5114.1I375 I380 L382 S409 L410 V411I375-R413 HydrophobicContact CG2-CG 4.08Å; I375-R413 VanDerWaalsContact O-CD 3.26Å; I375-R413 WeakPolarHBondContact O-CD 3.33Å; I375-R413 WeakPolarHBondContact O-CG 3.17Å; I375-R413 PolarHBondContact O-NE 3.14Å; I380-R413 PolarHBondContact O-NH2 3.22Å; L382-R413 HydrophobicContact CD1-CB 4.02Å; S409-R413 PolarHBondContact O-N 2.82Å; L410-R413 CarbonylContact O-C 3.48Å; L410-R413 WeakPolarHBondContact O-CA 3.28Å; L410-R413 WeakPolarHBondContact O-CB 3.38Å; L410-R413 PolarHBondContact O-N 3.47Å; V411-R413 PolarHBondContact O-N 3.35Å
414G96.5Very high95.9Very high49 Ų4950.8 Ų50.851%0.50529%0.294SS..THydrogen-bonded Turntrans98.815.6176.300000115.3L410 V411 A412 T416L410-G414 PolarHBondContact O-N 2.91Å; V411-G414 PolarHBondContact O-N 3.13Å; A412-G414 VanDerWaalsContact C-N 3.35Å; G414-T416 PolarHBondContact O-N 2.54Å
415A97Very high95.7Very high10 Ų1050 Ų508%0.08328%0.284CS..  trans-59.4133.9170.300000111L382 L410 D419 I420L382-A415 HydrophobicContact CD1-CB 4.26Å; L382-A415 HydrophobicContact CD2-CB 4.43Å; L410-A415 HydrophobicContact CB-CB 3.84Å; L410-A415 WeakPolarHBondContact O-CB 3.4Å; L410-A415 PolarHBondContact O-N 3.31Å; A415-D419 HydrophobicContact CB-CB 4.21Å; A415-I420 HydrophobicContact CB-CD1 3.91Å
416T96.1Very high95.5Very high37 Ų3749.2 Ų49.223%0.22728%0.275CS..  trans-81.9165.5177.966.60000111.3G414 D418 D419 I420G414-T416 PolarHBondContact O-N 2.54Å; T416-D418 PolarHBondContact O-N 3.45Å; T416-D419 WeakPolarHBondContact CB-OD2 3.45Å; T416-D419 PolarHBondContact N-OD2 3.33Å; T416-D419 WeakPolarHBondContact O-CB 3.26Å; T416-D419 PolarHBondContact O-N 2.88Å; T416-D419 PolarHBondContact OG1-N 3.08Å; T416-D419 PolarHBondContact OG1-OD2 3.46Å; T416-I420 WeakPolarHBondContact O-CG1 3.41Å; T416-I420 PolarHBondContact O-N 3.02Å
417D94Very high95.2Very high132 Ų13252 Ų5271%0.70629%0.29SS*.Hα-helixtrans-58.9-32.3174.3-64.2-29.5000112.3I420 R421D417-I420 PolarHBondContact O-N 2.81Å; D417-R421 WeakPolarHBondContact O-CB 3.37Å; D417-R421 PolarHBondContact O-N 3.15Å
418D92.9Very high94.8Very high90 Ų9054.6 Ų54.648%0.48130%0.301SS..Hα-helixtrans-70.5-36.1176.1-72.8-29000111.8T416 R421 T422T416-D418 PolarHBondContact O-N 3.45Å; D418-R421 PolarHBondContact O-N 3.26Å; D418-R421 IonicContact OD1-CZ 3.9Å; D418-R421 IonicContact OD1-NH1 2.66Å; D418-R421 PolarHBondContact OD1-NH1 3.46Å; D418-R421 IonicContact OD1-NH2 2.79Å; D418-R421 PolarHBondContact OD1-NH2 3.5Å; D418-T422 PolarHBondContact O-N 2.68Å; D418-T422 PolarHBondContact O-OG1 2.88Å; D418-T422 VanDerWaalsContact O-OG1 3.11Å
419D94.5Very high94.5Very high5 Ų548.1 Ų48.13%0.02727%0.271CS..Hα-helixtrans-64.4-43.3173.4-60.9-49.8000110.6L386 A415 T416 T422 Y607L386-D419 HydrophobicContact CD2-CB 4.19Å; A415-D419 HydrophobicContact CB-CB 4.21Å; T416-D419 WeakPolarHBondContact CB-OD2 3.45Å; T416-D419 PolarHBondContact N-OD2 3.33Å; T416-D419 WeakPolarHBondContact O-CB 3.26Å; T416-D419 PolarHBondContact O-N 2.88Å; T416-D419 PolarHBondContact OG1-N 3.08Å; T416-D419 PolarHBondContact OG1-OD2 3.46Å; D419-T422 WeakPolarHBondContact O-CB 3.29Å; D419-T422 PolarHBondContact O-N 3.21Å; D419-T422 PolarHBondContact O-OG1 2.69Å; D419-Y607 PolarHBondContact OD1-OH 2.75Å
420I95.7Very high94Very high25 Ų2547.5 Ų47.513%0.12827%0.266CS..Hα-helixtrans-66-40.7177.1-58.4-46.9000111.2I407 L410 V411 A415 T416 D417 T422 I423I407-I420 HydrophobicContact CG2-CD1 4.01Å; I407-I420 HydrophobicContact CG2-CG1 4.26Å; I407-I420 HydrophobicContact CG2-CG2 3.79Å; L410-I420 HydrophobicContact CB-CD1 4.15Å; L410-I420 HydrophobicContact CD1-CD1 4.26Å; V411-I420 HydrophobicContact CG2-CD1 4.11Å; V411-I420 HydrophobicContact CG2-CG1 3.99Å; A415-I420 HydrophobicContact CB-CD1 3.91Å; T416-I420 WeakPolarHBondContact O-CG1 3.41Å; T416-I420 PolarHBondContact O-N 3.02Å; D417-I420 PolarHBondContact O-N 2.81Å; I420-T422 PolarHBondContact O-N 2.94Å; I420-T422 VanDerWaalsContact O-N 3.14Å; I420-I423 WeakPolarHBondContact O-CB 3.44Å; I420-I423 PolarHBondContact O-N 2.84Å
421R95Very high93.1Very high117 Ų11750 Ų5044%0.44228%0.275SS..Hα-helixtrans-59.4-26.2176-163.8-175.7-59.2130.613112.5D417 D418 I423 D424 N425D417-R421 WeakPolarHBondContact O-CB 3.37Å; D417-R421 PolarHBondContact O-N 3.15Å; D418-R421 PolarHBondContact O-N 3.26Å; D418-R421 IonicContact OD1-CZ 3.9Å; D418-R421 IonicContact OD1-NH1 2.66Å; D418-R421 PolarHBondContact OD1-NH1 3.46Å; D418-R421 IonicContact OD1-NH2 2.79Å; D418-R421 PolarHBondContact OD1-NH2 3.5Å; R421-I423 PolarHBondContact O-N 3.38Å; R421-D424 PolarHBondContact O-N 2.9Å; R421-N425 WeakPolarHBondContact O-CB 3.45Å; R421-N425 PolarHBondContact O-N 3.13Å; R421-N425 PolarHBondContact O-ND2 3.02Å; R421-N425 PolarHBondContact O-OD1 2.7Å
422T94.8Very high91.7Very high9 Ų951 Ų516%0.05528%0.283CS..Hα-helixtrans-58.4-30.1174.7-570000112.1L390 D418 D419 I420 L426 L572 C576L390-T422 HydrophobicContact CD1-CG2 4.23Å; L390-T422 HydrophobicContact CD2-CG2 4.16Å; D418-T422 PolarHBondContact O-N 2.68Å; D418-T422 PolarHBondContact O-OG1 2.88Å; D418-T422 VanDerWaalsContact O-OG1 3.11Å; D419-T422 WeakPolarHBondContact O-CB 3.29Å; D419-T422 PolarHBondContact O-N 3.21Å; D419-T422 PolarHBondContact O-OG1 2.69Å; I420-T422 PolarHBondContact O-N 2.94Å; I420-T422 VanDerWaalsContact O-N 3.14Å; T422-L426 VanDerWaalsContact O-CB 3.3Å; T422-L426 WeakPolarHBondContact O-CB 3.34Å; T422-L426 PolarHBondContact O-N 2.94Å; T422-L572 HydrophobicContact CG2-CD2 3.96Å; T422-C576 PolarHBondContact OG1-SG 3.29Å
423I94.6Very high90Very high1 Ų149.4 Ų49.41%0.00526%0.262CS..Hα-helixtrans-65.9-50.3176.2-57.3168000110.5L386 V389 L390 A393 I407 I420 R421 L426 L427L386-I423 HydrophobicContact CD1-CD1 4.34Å; L386-I423 HydrophobicContact CD1-CG1 4.13Å; V389-I423 HydrophobicContact CG1-CD1 3.8Å; L390-I423 HydrophobicContact CD2-CB 4.13Å; L390-I423 HydrophobicContact CD2-CG1 3.71Å; A393-I423 HydrophobicContact CB-CG2 3.72Å; I407-I423 HydrophobicContact CD1-CD1 4.11Å; I407-I423 HydrophobicContact CG1-CD1 3.73Å; I420-I423 WeakPolarHBondContact O-CB 3.44Å; I420-I423 PolarHBondContact O-N 2.84Å; R421-I423 PolarHBondContact O-N 3.38Å; I423-L426 PolarHBondContact O-N 2.76Å; I423-L427 HydrophobicContact CG2-CD1 4.37Å; I423-L427 WeakPolarHBondContact O-CG 3.26Å; I423-L427 PolarHBondContact O-N 3.34Å
424D91.6Very high88Confident87 Ų8750.4 Ų50.447%0.46528%0.281SS..Hα-helixtrans-64.1-44177.9-63.2-38.9000110.9R421 L426 L427 E428R421-D424 PolarHBondContact O-N 2.9Å; D424-L426 VanDerWaalsContact C-N 3.28Å; D424-L426 PolarHBondContact O-N 2.97Å; D424-L427 PolarHBondContact O-N 3.06Å; D424-E428 WeakPolarHBondContact O-CB 3.36Å; D424-E428 WeakPolarHBondContact O-CG 3.39Å; D424-E428 PolarHBondContact O-N 2.9Å
425N92.8Very high86Confident11 Ų1149.3 Ų49.36%0.05927%0.265CS..Hα-helixtrans-55.8-43.5175.7-63.4-18.5000111.7R421 E428 Y429 V575 C576 T579R421-N425 WeakPolarHBondContact O-CB 3.45Å; R421-N425 PolarHBondContact O-N 3.13Å; R421-N425 PolarHBondContact O-ND2 3.02Å; R421-N425 PolarHBondContact O-OD1 2.7Å; N425-E428 PolarHBondContact O-N 3.48Å; N425-Y429 WeakPolarHBondContact O-CB 3.25Å; N425-Y429 PolarHBondContact O-N 2.69Å; N425-V575 HydrophobicContact CB-CG1 3.93Å; N425-C576 PolarHBondContact ND2-SG 3.31Å; N425-T579 HydrophobicContact CB-CG2 4.21Å; N425-T579 PolarHBondContact ND2-OG1 2.86Å; N425-T579 VanDerWaalsContact ND2-OG1 3.1Å; N425-T579 WeakPolarHBondContact OD1-CB 3.35Å; N425-T579 VanDerWaalsContact OD1-CG2 3.25Å; N425-T579 WeakPolarHBondContact OD1-CG2 3.41Å; N425-T579 PolarHBondContact OD1-OG1 3.17Å
426L93.5Very high83.9Confident1 Ų155.2 Ų55.21%0.00530%0.302CS..Hα-helixtrans-68.8-42.6179.8-179.467000112L226 L390 L394 T422 I423 D424 E428 Y429 S430 F571 V575L226-L426 HydrophobicContact CD1-CD2 3.71Å; L390-L426 HydrophobicContact CB-CD2 3.66Å; L390-L426 HydrophobicContact CD1-CD2 4.48Å; L390-L426 HydrophobicContact CD2-CB 4.15Å; L390-L426 HydrophobicContact CD2-CD2 3.66Å; L390-L426 HydrophobicContact CG-CD2 4.12Å; L394-L426 HydrophobicContact CD1-CD2 3.94Å; L394-L426 HydrophobicContact CD1-CG 4.48Å; L394-L426 HydrophobicContact CD2-CD2 4.24Å; L394-L426 HydrophobicContact CD2-CG 4.11Å; L394-L426 HydrophobicContact CG-CD2 3.97Å; L394-L426 HydrophobicContact CG-CG 4.39Å; T422-L426 VanDerWaalsContact O-CB 3.3Å; T422-L426 WeakPolarHBondContact O-CB 3.34Å; T422-L426 PolarHBondContact O-N 2.94Å; I423-L426 PolarHBondContact O-N 2.76Å; D424-L426 VanDerWaalsContact C-N 3.28Å; D424-L426 PolarHBondContact O-N 2.97Å; L426-E428 VanDerWaalsContact C-N 3.26Å; L426-E428 PolarHBondContact O-N 3.34Å; L426-Y429 PolarHBondContact O-N 3.17Å; L426-S430 VanDerWaalsContact O-CB 3.24Å; L426-S430 WeakPolarHBondContact O-CB 3.43Å; L426-S430 PolarHBondContact O-N 2.64Å; L426-S430 PolarHBondContact O-OG 3.06Å; L426-F571 HydrophobicContact CD1-CE1 4.03Å; L426-F571 HydrophobicContact CD1-CZ 4.18Å; L426-V575 HydrophobicContact CB-CG1 4.05Å; L426-V575 HydrophobicContact CD1-CG1 4.24Å; L426-V575 HydrophobicContact CD1-CG2 4.05Å
427L90.5Very high82.3Confident58 Ų5854.8 Ų54.830%0.30430%0.299SS..Hα-helixtrans-63.7-34.8176.6-71.5176.7000111.9A393 L394 I423 D424A393-L427 HydrophobicContact CB-CD1 4.37Å; A393-L427 HydrophobicContact CB-CD2 4.19Å; A393-L427 HydrophobicContact CB-CG 4.41Å; A393-L427 WeakPolarHBondContact O-CD2 3.17Å; L394-L427 HydrophobicContact CD2-CD2 4.4Å; I423-L427 HydrophobicContact CG2-CD1 4.37Å; I423-L427 WeakPolarHBondContact O-CG 3.26Å; I423-L427 PolarHBondContact O-N 3.34Å; D424-L427 PolarHBondContact O-N 3.06Å
428E88.8Confident81Confident95 Ų9551.3 Ų51.344%0.44429%0.294SS..Hα-helixtrans-76.1-35.9175.3-80.6-171.7-165.100113.8R148 D424 N425 L426R148-E428 IonicContact CZ-OE2 3.82Å; R148-E428 PolarHBondContact NH1-O 2.99Å; R148-E428 IonicContact NH2-OE2 3.29Å; R148-E428 PolarHBondContact NH2-OE2 3.11Å; D424-E428 WeakPolarHBondContact O-CB 3.36Å; D424-E428 WeakPolarHBondContact O-CG 3.39Å; D424-E428 PolarHBondContact O-N 2.9Å; N425-E428 PolarHBondContact O-N 3.48Å; L426-E428 VanDerWaalsContact C-N 3.26Å; L426-E428 PolarHBondContact O-N 3.34Å
429Y90.5Very high80Confident7 Ų747.3 Ų47.33%0.02727%0.272CS..Hα-helixtrans-68.9-43176.1177-93.5000111.5L144 R219 T222 N425 L426 F571 E574 V575 I578L144-Y429 HydrophobicContact CD1-CE2 4.04Å; R219-Y429 HydrophobicContact CB-CE1 4.41Å; R219-Y429 WeakPolarHBondContact CB-O 3.41Å; R219-Y429 WeakPolarHBondContact CD-O 3.41Å; R219-Y429 HydrophobicContact CG-CD1 4.02Å; R219-Y429 HydrophobicContact CG-CD2 4.24Å; R219-Y429 HydrophobicContact CG-CE1 3.63Å; R219-Y429 HydrophobicContact CG-CE2 3.91Å; R219-Y429 HydrophobicContact CG-CG 4.31Å; R219-Y429 VanDerWaalsContact CG-O 3.27Å; R219-Y429 WeakPolarHBondContact CG-O 3.48Å; T222-Y429 HydrophobicContact CG2-CD1 3.76Å; T222-Y429 HydrophobicContact CG2-CE1 3.79Å; N425-Y429 WeakPolarHBondContact O-CB 3.25Å; N425-Y429 PolarHBondContact O-N 2.69Å; L426-Y429 PolarHBondContact O-N 3.17Å; Y429-F571 HydrophobicContact CD1-CZ 4.38Å; Y429-F571 AromaticContact CE1-CE2 3.76Å; Y429-F571 HydrophobicContact CE1-CE2 3.76Å; Y429-F571 AromaticContact CE1-CZ 3.96Å; Y429-F571 HydrophobicContact CE1-CZ 3.96Å; Y429-E574 HydrophobicContact CE2-CG 4.3Å; Y429-V575 HydrophobicContact CD1-CG2 3.81Å; Y429-V575 HydrophobicContact CD2-CG2 4.31Å; Y429-V575 HydrophobicContact CE1-CG2 4.07Å; Y429-V575 HydrophobicContact CG-CG1 4.42Å; Y429-V575 HydrophobicContact CG-CG2 3.94Å; Y429-I578 HydrophobicContact CD2-CD1 3.32Å; Y429-I578 HydrophobicContact CE2-CD1 3.44Å; Y429-I578 VanDerWaalsContact CE2-CD1 3.44Å
430S88.4Confident79Confident16 Ų1650 Ų5011%0.11229%0.286CS..SBendtrans-70.1144.7-177.4-560000110.9T222 L394 L426T222-S430 WeakPolarHBondContact CB-OG 3.31Å; T222-S430 VanDerWaalsContact CG2-OG 3.3Å; T222-S430 WeakPolarHBondContact CG2-OG 3.45Å; T222-S430 PolarHBondContact OG1-OG 3.07Å; L394-S430 VanDerWaalsContact CD2-OG 3.28Å; L394-S430 WeakPolarHBondContact CD2-OG 3.37Å; L426-S430 VanDerWaalsContact O-CB 3.24Å; L426-S430 WeakPolarHBondContact O-CB 3.43Å; L426-S430 PolarHBondContact O-N 2.64Å; L426-S430 PolarHBondContact O-OG 3.06Å
431W78.3Confident78.1Confident53 Ų5349.5 Ų49.520%0.20128%0.284CS..PPolyproline II helixtrans-77.1161.7170.4-83.64000113.2Q178 A180 S181 R219 Q220 I433 V435Q178-W431 HydrophobicContact CG-CH2 4.34Å; Q178-W431 HydrophobicContact CG-CZ3 4.27Å; A180-W431 HydrophobicContact CB-CE3 4.32Å; A180-W431 HydrophobicContact CB-CH2 3.5Å; A180-W431 HydrophobicContact CB-CZ2 4.4Å; A180-W431 HydrophobicContact CB-CZ3 3.41Å; A180-W431 VanDerWaalsContact CB-CZ3 3.41Å; A180-W431 VanDerWaalsContact O-CH2 3.24Å; A180-W431 WeakPolarHBondContact O-CH2 3.46Å; A180-W431 WeakPolarHBondContact O-CZ2 3.29Å; S181-W431 VanDerWaalsContact CA-CH2 3.44Å; S181-W431 VanDerWaalsContact CB-CH2 3.44Å; R219-W431 HydrophobicContact CB-CG 4.3Å; R219-W431 PolarHBondContact O-N 3.03Å; Q220-W431 HydrophobicContact CB-CE3 4.26Å; Q220-W431 HydrophobicContact CG-CE3 4.36Å; W431-I433 PolarHBondContact O-N 3.41Å; W431-V435 HydrophobicContact CE3-CG2 4.32Å
432P68.4Low77.2Confident95 Ų9544.5 Ų44.562%0.61727%0.265SS*.PPolyproline II helixtrans-53.9129.4171.3-22.933.3000110.8S434 V435P432-S434 PolarHBondContact O-N 2.9Å; P432-S434 VanDerWaalsContact O-N 3.14Å; P432-V435 WeakPolarHBondContact O-CG2 3.49Å
433I60.7Low75.6Confident58 Ų5850.8 Ų50.830%0.29729%0.294SS..SBendtrans-52.5-38.5-177.7-55.6164.7000111.6L394 W431 F442L394-I433 WeakPolarHBondContact O-CD1 3.43Å; W431-I433 PolarHBondContact O-N 3.41Å; I433-F442 HydrophobicContact CD1-CE2 4.02Å; I433-F442 HydrophobicContact CG1-CE2 4.11Å; I433-F442 HydrophobicContact CG2-CD2 3.66Å; I433-F442 HydrophobicContact CG2-CE2 3.82Å
434S54.4Low73.9Confident103 Ų10351.4 Ų51.472%0.7230%0.298SS*.BIsolated β-bridgetrans-100.789.3176.256.70000110P432P432-S434 PolarHBondContact O-N 2.9Å; P432-S434 VanDerWaalsContact O-N 3.14Å
435V53.9Low72.1Confident26 Ų2651.9 Ų51.916%0.15830%0.298CS..  trans-81.6142.3162.8-168.20000107.4A180 W431 P432 D437A180-V435 HydrophobicContact CB-CG1 4.3Å; W431-V435 HydrophobicContact CE3-CG2 4.32Å; P432-V435 WeakPolarHBondContact O-CG2 3.49Å; V435-D437 HydrophobicContact CG1-CB 4.24Å; V435-D437 WeakPolarHBondContact CG1-OD2 3.22Å; V435-D437 PolarHBondContact O-N 3.25Å
436P53.2Low70.2Confident133 Ų13353.5 Ų53.586%0.86431%0.305SS*.THydrogen-bonded Turntrans-56-6.7179.1-26.334.6000115.8G438P436-G438 PolarHBondContact O-N 3.09Å
437D62.8Low67.8Low29 Ų2958.9 Ų58.916%0.15534%0.338CS..THydrogen-bonded Turntrans-76.5-3.3-173.6-65.2-24.5000114.5V435 F439 S508V435-D437 HydrophobicContact CG1-CB 4.24Å; V435-D437 WeakPolarHBondContact CG1-OD2 3.22Å; V435-D437 PolarHBondContact O-N 3.25Å; D437-F439 VanDerWaalsContact C-N 3.3Å; D437-F439 HydrophobicContact CB-CD2 4.04Å; D437-F439 VanDerWaalsContact O-CD2 3.29Å; D437-F439 WeakPolarHBondContact O-CD2 3.37Å; D437-F439 PolarHBondContact O-N 2.99Å; D437-S508 WeakPolarHBondContact CA-OG 3.04Å; D437-S508 WeakPolarHBondContact CB-OG 3.3Å; D437-S508 WeakPolarHBondContact OD1-CB 3.11Å; D437-S508 PolarHBondContact OD1-OG 2.64Å
438G65.2Low65.2Low58 Ų5859 Ų5960%0.59835%0.353SS*.SBendtrans7417.5175.300000114.7P436P436-G438 PolarHBondContact O-N 3.09Å
439F73.4Confident62.2Low7 Ų765.3 Ų65.33%0.03137%0.373CS..  trans-101.3127.3169-67-85.8000108.5D437 L491 E494 I495 K498 L504 F509D437-F439 VanDerWaalsContact C-N 3.3Å; D437-F439 HydrophobicContact CB-CD2 4.04Å; D437-F439 VanDerWaalsContact O-CD2 3.29Å; D437-F439 WeakPolarHBondContact O-CD2 3.37Å; D437-F439 PolarHBondContact O-N 2.99Å; F439-L491 HydrophobicContact CB-CD1 3.88Å; F439-L491 HydrophobicContact CD1-CD1 3.82Å; F439-L491 HydrophobicContact CG-CD1 4.24Å; F439-E494 HydrophobicContact CD1-CG 4.26Å; F439-E494 HydrophobicContact CE1-CG 4.19Å; F439-I495 HydrophobicContact CD1-CG1 3.92Å; F439-I495 HydrophobicContact CE1-CB 4.39Å; F439-I495 HydrophobicContact CE1-CG1 3.58Å; F439-I495 HydrophobicContact CZ-CG1 4.14Å; F439-K498 HydrophobicContact CE1-CD 3.75Å; F439-K498 HydrophobicContact CZ-CD 3.65Å; F439-L504 HydrophobicContact CZ-CD1 4.04Å; F439-F509 HydrophobicContact CD2-CE2 4.26Å; F439-F509 HydrophobicContact CE2-CD2 4.42Å; F439-F509 AromaticContact CE2-CE2 3.53Å; F439-F509 HydrophobicContact CE2-CE2 3.53Å; F439-F509 HydrophobicContact CE2-CZ 4.36Å; F439-F509 AromaticContact CZ-CE2 3.85Å; F439-F509 HydrophobicContact CZ-CE2 3.85Å
440D72.7Confident59.4Low61 Ų6169.9 Ų69.933%0.32640%0.401SS..BIsolated β-bridgetrans-116.6117.3179.6178.4-7.6000108.8F442 H443 V444D440-F442 PolarHBondContact O-N 2.99Å; D440-F442 VanDerWaalsContact O-N 3.07Å; D440-F442 PolarHBondContact OD1-N 3.08Å; D440-H443 HydrophobicContact CB-CB 3.62Å; D440-H443 PolarHBondContact O-N 3.28Å; D440-H443 VanDerWaalsContact O-N 3.17Å; D440-H443 PolarHBondContact OD1-N 3.28Å; D440-V444 WeakPolarHBondContact O-CG2 3.47Å
441L77.7Confident56.4Low15 Ų1576 Ų768%0.07943%0.432CS..THydrogen-bonded Turntrans-54.6-26.5-179.8-176.256.8000113.3D221 V223D221-L441 HydrophobicContact CB-CD1 3.9Å; D221-L441 WeakPolarHBondContact OD1-CD1 3.25Å; V223-L441 HydrophobicContact CB-CD1 4.19Å; V223-L441 HydrophobicContact CB-CD2 4.39Å; V223-L441 HydrophobicContact CB-CG 4.28Å; V223-L441 HydrophobicContact CG2-CD1 4.31Å; V223-L441 HydrophobicContact CG2-CD2 3.68Å; V223-L441 HydrophobicContact CG2-CG 3.87Å
442F74.3Confident53.9Low11 Ų1179.5 Ų79.55%0.04846%0.46CS..THydrogen-bonded Turntrans-112.3-0.6-177.9-60.4-82.8000114.5V223 V359 L394 R395 I433 D440 V444V223-F442 HydrophobicContact CG2-CE1 3.85Å; V223-F442 HydrophobicContact CG2-CZ 3.93Å; V359-F442 HydrophobicContact CB-CD1 4.48Å; V359-F442 HydrophobicContact CG1-CD1 4.08Å; V359-F442 HydrophobicContact CG2-CE1 4.39Å; L394-F442 HydrophobicContact CB-CZ 4.16Å; R395-F442 VanDerWaalsContact CA-CZ 3.47Å; R395-F442 HydrophobicContact CB-CD1 4.48Å; R395-F442 HydrophobicContact CB-CE1 3.75Å; R395-F442 HydrophobicContact CB-CE2 4.44Å; R395-F442 HydrophobicContact CB-CZ 3.73Å; R395-F442 HydrophobicContact CG-CE1 4.27Å; R395-F442 HydrophobicContact CG-CZ 4.47Å; I433-F442 HydrophobicContact CD1-CE2 4.02Å; I433-F442 HydrophobicContact CG1-CE2 4.11Å; I433-F442 HydrophobicContact CG2-CD2 3.66Å; I433-F442 HydrophobicContact CG2-CE2 3.82Å; D440-F442 PolarHBondContact O-N 2.99Å; D440-F442 VanDerWaalsContact O-N 3.07Å; D440-F442 PolarHBondContact OD1-N 3.08Å; F442-V444 VanDerWaalsContact C-N 3.31Å
443H62.7Low52Low141 Ų14180.8 Ų80.865%0.65347%0.466SS*.THydrogen-bonded Turntrans-86-7.1175.1-155.372.1000112.7D440 M445D440-H443 HydrophobicContact CB-CB 3.62Å; D440-H443 PolarHBondContact O-N 3.28Å; D440-H443 VanDerWaalsContact O-N 3.17Å; D440-H443 PolarHBondContact OD1-N 3.28Å; H443-M445 PolarHBondContact O-N 2.89Å
444V57.5Low50.3Low15 Ų1584.2 Ų84.29%0.09149%0.49CS..  trans-82.281.7-174.8-158.40000110.8D440 F442 E489 L491D440-V444 WeakPolarHBondContact O-CG2 3.47Å; F442-V444 VanDerWaalsContact C-N 3.31Å; V444-E489 WeakPolarHBondContact CB-O 3.46Å; V444-E489 HydrophobicContact CG1-CB 3.9Å; V444-E489 HydrophobicContact CG1-CG 4.07Å; V444-E489 VanDerWaalsContact CG1-O 3.22Å; V444-E489 WeakPolarHBondContact CG1-O 3.29Å; V444-E489 PolarHBondContact O-N 2.82Å; V444-L491 HydrophobicContact CG2-CD1 4.41Å
445M55.3Low49Very low97 Ų9785.5 Ų85.548%0.47849%0.494SS..BIsolated β-bridgetrans-95.9142.1167-76.1-170.2-80.400110.6C360 H443 T447C360-M445 HydrophobicContact CB-CG 3.97Å; C360-M445 HydrophobicContact CB-SD 4.14Å; H443-M445 PolarHBondContact O-N 2.89Å; M445-T447 PolarHBondContact O-N 2.94Å
446K53.1Low47.6Very low44 Ų4489.2 Ų89.219%0.19152%0.521CS..  trans-60.297.4166.1-70-179.3-175.5145.90109.1G448 N482 T486 Q487 H488 E489K446-G448 PolarHBondContact O-N 3.41Å; K446-N482 PolarHBondContact O-ND2 2.87Å; K446-T486 WeakPolarHBondContact CD-O 3.38Å; K446-T486 WeakPolarHBondContact CE-O 3.39Å; K446-T486 PolarHBondContact NZ-O 3.46Å; K446-Q487 PolarHBondContact N-O 3.3Å; K446-Q487 VanDerWaalsContact N-O 3.08Å; K446-H488 WeakPolarHBondContact CE-O 3.43Å; K446-H488 PolarHBondContact NZ-O 3.36Å; K446-E489 HydrophobicContact CG-CB 3.86Å
447T42.8Very low46.2Very low114 Ų11491.5 Ų91.570%0.69953%0.525SS*.  trans-66.7131168.7590000107.8M445 R449M445-T447 PolarHBondContact O-N 2.94Å; T447-R449 PolarHBondContact O-N 2.95Å
448G34.3Very low44.5Very low60 Ų6096 Ų9662%0.61955%0.553SS**SBendtrans-66.139.5-168.700000116.9K446 V450K446-G448 PolarHBondContact O-N 3.41Å; G448-V450 PolarHBondContact O-N 3.27Å
449R27.3Very low42.7Very low228 Ų228100.7 Ų100.786%0.8657%0.565SS**  trans-78.364.8166.1-72.8-174.2178.3-178.80.8109.9T447 N451T447-R449 PolarHBondContact O-N 2.95Å; R449-N451 PolarHBondContact O-N 3.45Å; R449-N451 VanDerWaalsContact O-N 3.13Å
450V30.8Very low40.6Very low103 Ų103105.6 Ų105.662%0.62460%0.6SS**  trans-75.996.7160.5-173.90000106.3G448 T452G448-V450 PolarHBondContact O-N 3.27Å; V450-T452 HydrophobicContact CG1-CG2 3.83Å; V450-T452 PolarHBondContact O-N 3.45Å
451N25.8Very low38.5Very low144 Ų144111.5 Ų111.577%0.7763%0.625SS**  trans-64.190.6160.7-79.3-6.8000106.9R449 T453R449-N451 PolarHBondContact O-N 3.45Å; R449-N451 VanDerWaalsContact O-N 3.13Å; N451-T453 PolarHBondContact O-N 3.05Å
452T25.4Very low36.5Very low128 Ų128115.8 Ų115.879%0.78565%0.652SS**  trans-71.978.4173.826.10000108.4V450V450-T452 HydrophobicContact CG1-CG2 3.83Å; V450-T452 PolarHBondContact O-N 3.45Å
453T27.8Very low34.6Very low121 Ų121117.2 Ų117.274%0.74267%0.666SS**  trans-13075.9165.433.80000108.7N451N451-T453 PolarHBondContact O-N 3.05Å
454T26.6Very low33.8Very low130 Ų130110.9 Ų110.980%0.79864%0.637SS**  trans-163.888.2153.524.20000109.6
455T25.6Very low33.1Very low130 Ų130118.3 Ų118.380%0.79867%0.668SS**  trans18112.7134.547.40000119.1
456S24.9Very low32.5Very low104 Ų104116.9 Ų116.973%0.72767%0.672SS**  173.8116.5101.847.60000109.6V458S456-V458 PolarHBondContact O-N 3.33Å; S456-V458 VanDerWaalsContact O-N 3.12Å
457L24.2Very low32Very low181 Ų181115.7 Ų115.795%0.94867%0.667SS**  trans-71.299.1170.7-64.6164.5000107.2
458V27.8Very low32.2Very low125 Ų125111.8 Ų111.876%0.75865%0.647SS**  trans-114.9119.7162.5-118.50000107.3S456 S460S456-V458 PolarHBondContact O-N 3.33Å; S456-V458 VanDerWaalsContact O-N 3.12Å; V458-S460 PolarHBondContact O-N 2.73Å; V458-S460 VanDerWaalsContact O-N 3.08Å
459D26.7Very low32.8Very low156 Ų156111.6 Ų111.683%0.83464%0.636SS**  trans-50.3110.2-171.2-68.2-51.2000112.4Q461D459-Q461 PolarHBondContact O-N 2.71Å
460S28.8Very low33.6Very low109 Ų109102 Ų10276%0.76260%0.601SS**  trans-73.383.4179.7161.50000110.8V458V458-S460 PolarHBondContact O-N 2.73Å; V458-S460 VanDerWaalsContact O-N 3.08Å
461Q30.1Very low34.2Very low186 Ų186100 Ų10087%0.86958%0.584SS**  trans-12612165.8-71.1-164.49.500115.1D459D459-Q461 PolarHBondContact O-N 2.71Å
462T34.6Very low35.2Very low104 Ų10498.8 Ų98.864%0.63857%0.572SS**  trans-129.532.7-174.252.30000115.4K288K288-T462 PolarHBondContact NZ-O 2.96Å
463A33.6Very low36.2Very low42 Ų4299.6 Ų99.635%0.34756%0.561SS.*  trans-93.1132.3170.100000111.6A468A463-A468 HydrophobicContact CB-CB 4.23Å
464T46.7Very low36.9Very low7 Ų794 Ų944%0.04353%0.527CS..  trans-87.6148.2-164.554.60000111.2K288 E307 A466 M467 A468K288-T464 HydrophobicContact CD-CG2 4.32Å; E307-T464 HydrophobicContact CB-CG2 3.71Å; E307-T464 HydrophobicContact CG-CG2 4Å; E307-T464 WeakPolarHBondContact O-CB 3.28Å; E307-T464 WeakPolarHBondContact O-CG2 3.1Å; E307-T464 PolarHBondContact O-OG1 2.98Å; T464-A466 VanDerWaalsContact C-N 3.29Å; T464-A466 PolarHBondContact O-N 3.32Å; T464-M467 CarbonylContact O-C 3.54Å; T464-M467 PolarHBondContact O-N 3.03Å; T464-M467 WeakPolarHBondContact OG1-CB 2.97Å; T464-A468 WeakPolarHBondContact O-CA 3.22Å; T464-A468 WeakPolarHBondContact O-CB 3.14Å; T464-A468 PolarHBondContact O-N 3.3Å
465K42.7Very low37.7Very low172 Ų17290.5 Ų90.575%0.74851%0.505SS*.Hα-helixtrans-51-38.1-164.9-74.6176.4-178169.40116S469K465-S469 VanDerWaalsContact O-CB 3.25Å; K465-S469 WeakPolarHBondContact O-CB 3.31Å; K465-S469 PolarHBondContact O-N 3.47Å; K465-S469 PolarHBondContact O-OG 3.01Å
466A43Very low38.3Very low66 Ų6690.7 Ų90.755%0.54550%0.497SS..Hα-helixtrans-70.2-47.8175.900000112T464 S469 L470T464-A466 VanDerWaalsContact C-N 3.29Å; T464-A466 PolarHBondContact O-N 3.32Å; A466-S469 PolarHBondContact O-N 3.09Å; A466-S469 PolarHBondContact O-OG 2.7Å; A466-L470 WeakPolarHBondContact O-CB 3.47Å; A466-L470 PolarHBondContact O-N 3.04Å
467M42.1Very low38.6Very low19 Ų1990.9 Ų90.99%0.09449%0.486CS..Hα-helixtrans-71.5-32176.8-68.5-158.175.200113.4G281 Q285 T464 L470 K471G281-M467 WeakPolarHBondContact O-CE 3.18Å; Q285-M467 HydrophobicContact CG-CE 4.23Å; T464-M467 CarbonylContact O-C 3.54Å; T464-M467 PolarHBondContact O-N 3.03Å; T464-M467 WeakPolarHBondContact OG1-CB 2.97Å; M467-L470 PolarHBondContact O-N 3.45Å; M467-K471 WeakPolarHBondContact O-CA 3.38Å; M467-K471 WeakPolarHBondContact O-CB 3.29Å; M467-K471 PolarHBondContact O-N 2.94Å
468A46.6Very low38.8Very low33 Ų3386.9 Ų86.927%0.27347%0.465SS..Hα-helixtrans-69.5-40.5172.400000108.6A463 T464 L470 K472A463-A468 HydrophobicContact CB-CB 4.23Å; T464-A468 WeakPolarHBondContact O-CA 3.22Å; T464-A468 WeakPolarHBondContact O-CB 3.14Å; T464-A468 PolarHBondContact O-N 3.3Å; A468-L470 VanDerWaalsContact C-N 3.34Å; A468-K472 VanDerWaalsContact O-CA 3.31Å; A468-K472 WeakPolarHBondContact O-CA 3.39Å; A468-K472 WeakPolarHBondContact O-CB 3.39Å; A468-K472 PolarHBondContact O-N 3.12Å
469S47.7Very low39.1Very low56 Ų5691 Ų9139%0.39247%0.473SS..Hα-helixtrans-66.6-37.4172.375.30000112.2K465 A466 K472 R473K465-S469 VanDerWaalsContact O-CB 3.25Å; K465-S469 WeakPolarHBondContact O-CB 3.31Å; K465-S469 PolarHBondContact O-N 3.47Å; K465-S469 PolarHBondContact O-OG 3.01Å; A466-S469 PolarHBondContact O-N 3.09Å; A466-S469 PolarHBondContact O-OG 2.7Å; S469-K472 PolarHBondContact O-N 2.74Å; S469-R473 WeakPolarHBondContact O-CB 3.39Å; S469-R473 VanDerWaalsContact O-CG 3.28Å; S469-R473 WeakPolarHBondContact O-CG 3.22Å; S469-R473 PolarHBondContact O-N 2.99Å
470L44.5Very low39.6Very low25 Ų2587.4 Ų87.413%0.13147%0.472CS..Hα-helixtrans-73.6-48-179.7-161.680.4000111.2F280 L349 A466 M467 A468 K472 R473 L474F280-L470 HydrophobicContact CD1-CD2 3.44Å; F280-L470 VanDerWaalsContact CD1-CD2 3.44Å; F280-L470 HydrophobicContact CE1-CD2 3.49Å; F280-L470 VanDerWaalsContact CE1-CD2 3.49Å; F280-L470 HydrophobicContact CG-CD2 4.43Å; L349-L470 HydrophobicContact CD1-CD1 3.3Å; L349-L470 HydrophobicContact CD2-CD1 4.1Å; L349-L470 HydrophobicContact CG-CD1 4.34Å; A466-L470 WeakPolarHBondContact O-CB 3.47Å; A466-L470 PolarHBondContact O-N 3.04Å; M467-L470 PolarHBondContact O-N 3.45Å; A468-L470 VanDerWaalsContact C-N 3.34Å; L470-K472 VanDerWaalsContact C-N 3.28Å; L470-K472 PolarHBondContact O-N 3.28Å; L470-R473 CarbonylContact O-C 3.23Å; L470-R473 PolarHBondContact O-N 3.37Å; L470-L474 HydrophobicContact CB-CD1 4.45Å; L470-L474 HydrophobicContact CD2-CD1 3.86Å; L470-L474 HydrophobicContact CG-CD1 3.64Å; L470-L474 HydrophobicContact CG-CG 4.34Å; L470-L474 WeakPolarHBondContact O-CB 3.45Å; L470-L474 WeakPolarHBondContact O-CD1 3.47Å; L470-L474 WeakPolarHBondContact O-CG 3.39Å; L470-L474 PolarHBondContact O-N 3.37Å
471K43.9Very low40Very low61 Ų6185 Ų8527%0.26545%0.453SS..Hα-helixtrans-60.1-37.9167-166175.5-172.3165.90110.1M467 R473 L474 V475 Q476M467-K471 WeakPolarHBondContact O-CA 3.38Å; M467-K471 WeakPolarHBondContact O-CB 3.29Å; M467-K471 PolarHBondContact O-N 2.94Å; K471-R473 VanDerWaalsContact C-N 3.29Å; K471-R473 PolarHBondContact O-N 3.3Å; K471-L474 CarbonylContact O-C 3.5Å; K471-L474 PolarHBondContact O-N 3.23Å; K471-V475 HydrophobicContact CB-CG2 4.45Å; K471-V475 HydrophobicContact CD-CG2 4.23Å; K471-V475 HydrophobicContact CG-CB 3.78Å; K471-V475 HydrophobicContact CG-CG2 3.32Å; K471-V475 WeakPolarHBondContact O-CA 3.49Å; K471-V475 WeakPolarHBondContact O-CB 3.4Å; K471-V475 WeakPolarHBondContact O-CG2 3.48Å; K471-V475 PolarHBondContact O-N 2.78Å; K471-Q476 PolarHBondContact O-N 3.12Å
472K46.4Very low40.9Very low120 Ų12078.4 Ų78.452%0.52242%0.424SS..Hα-helixtrans-65.7-35.8176.7-166.8-179.6-169.4-173.70111A468 S469 L470 Q476A468-K472 VanDerWaalsContact O-CA 3.31Å; A468-K472 WeakPolarHBondContact O-CA 3.39Å; A468-K472 WeakPolarHBondContact O-CB 3.39Å; A468-K472 PolarHBondContact O-N 3.12Å; S469-K472 PolarHBondContact O-N 2.74Å; L470-K472 VanDerWaalsContact C-N 3.28Å; L470-K472 PolarHBondContact O-N 3.28Å; K472-Q476 HydrophobicContact CB-CB 4.12Å; K472-Q476 HydrophobicContact CG-CB 3.52Å; K472-Q476 VanDerWaalsContact CG-CD 3.44Å; K472-Q476 HydrophobicContact CG-CG 4.08Å; K472-Q476 WeakPolarHBondContact O-CA 3.15Å; K472-Q476 WeakPolarHBondContact O-CB 3.12Å; K472-Q476 PolarHBondContact O-N 3.12Å
473R46Very low42.5Very low144 Ų14474.6 Ų74.654%0.54340%0.4SS..Hα-helixtrans-74.5-35.5170.4-72.9176.7178.8-174-1.8113.3S469 L470 K471 Y485S469-R473 WeakPolarHBondContact O-CB 3.39Å; S469-R473 VanDerWaalsContact O-CG 3.28Å; S469-R473 WeakPolarHBondContact O-CG 3.22Å; S469-R473 PolarHBondContact O-N 2.99Å; L470-R473 CarbonylContact O-C 3.23Å; L470-R473 PolarHBondContact O-N 3.37Å; K471-R473 VanDerWaalsContact C-N 3.29Å; K471-R473 PolarHBondContact O-N 3.3Å; R473-Y485 HydrophobicContact CB-CE2 4.31Å
474L42.8Very low44.4Very low5 Ų573.4 Ų73.43%0.02639%0.388CS..Hα-helixtrans-84.1-24.6-178.5-70.2161.9000113.1L470 K471 N483 Y485L470-L474 HydrophobicContact CB-CD1 4.45Å; L470-L474 HydrophobicContact CD2-CD1 3.86Å; L470-L474 HydrophobicContact CG-CD1 3.64Å; L470-L474 HydrophobicContact CG-CG 4.34Å; L470-L474 WeakPolarHBondContact O-CB 3.45Å; L470-L474 WeakPolarHBondContact O-CD1 3.47Å; L470-L474 WeakPolarHBondContact O-CG 3.39Å; L470-L474 PolarHBondContact O-N 3.37Å; K471-L474 CarbonylContact O-C 3.5Å; K471-L474 PolarHBondContact O-N 3.23Å; L474-N483 VanDerWaalsContact O-CB 3.26Å; L474-N483 WeakPolarHBondContact O-CB 3.49Å; L474-N483 PolarHBondContact O-OD1 3.25Å; L474-Y485 HydrophobicContact CD2-CD2 3.27Å; L474-Y485 HydrophobicContact CD2-CE2 3.81Å; L474-Y485 HydrophobicContact CD2-CG 4.15Å; L474-Y485 HydrophobicContact CG-CD2 4.09Å; L474-Y485 HydrophobicContact CG-CE2 4.14Å
475V43.1Very low46Very low55 Ų5573.7 Ų73.733%0.33339%0.388SS..Hα-helixtrans-128-35.9-169.31800000112.2K471 E477 L478K471-V475 HydrophobicContact CB-CG2 4.45Å; K471-V475 HydrophobicContact CD-CG2 4.23Å; K471-V475 HydrophobicContact CG-CB 3.78Å; K471-V475 HydrophobicContact CG-CG2 3.32Å; K471-V475 WeakPolarHBondContact O-CA 3.49Å; K471-V475 WeakPolarHBondContact O-CB 3.4Å; K471-V475 WeakPolarHBondContact O-CG2 3.48Å; K471-V475 PolarHBondContact O-N 2.78Å; V475-E477 PolarHBondContact O-N 2.74Å; V475-L478 HydrophobicContact CG1-CD1 4.06Å; V475-L478 VanDerWaalsContact O-CB 3.23Å; V475-L478 WeakPolarHBondContact O-CB 3.36Å; V475-L478 WeakPolarHBondContact O-CD1 3.42Å; V475-L478 WeakPolarHBondContact O-CG 3.32Å; V475-L478 PolarHBondContact O-N 2.67Å; V475-L478 VanDerWaalsContact O-N 3.07Å
476Q38.2Very low47.9Very low135 Ų13567 Ų6763%0.63136%0.362SS*.THydrogen-bonded Turntrans-82.810.8-172.2-142.7-175.36000115.2K471 K472 L478K471-Q476 PolarHBondContact O-N 3.12Å; K472-Q476 HydrophobicContact CB-CB 4.12Å; K472-Q476 HydrophobicContact CG-CB 3.52Å; K472-Q476 VanDerWaalsContact CG-CD 3.44Å; K472-Q476 HydrophobicContact CG-CG 4.08Å; K472-Q476 WeakPolarHBondContact O-CA 3.15Å; K472-Q476 WeakPolarHBondContact O-CB 3.12Å; K472-Q476 PolarHBondContact O-N 3.12Å; Q476-L478 VanDerWaalsContact C-N 3.32Å
477E31.5Very low49.9Very low107 Ų10764.6 Ų64.650%0.534%0.339SS..THydrogen-bonded Turntrans-89.43.9159.2-65.2-164.417200113.1V475 K479 V481 V484V475-E477 PolarHBondContact O-N 2.74Å; E477-K479 PolarHBondContact O-N 3.17Å; E477-V481 WeakPolarHBondContact O-CB 3.42Å; E477-V484 WeakPolarHBondContact OE2-CG2 3.22Å
478L29Very low52.2Low97 Ų9764.1 Ų64.151%0.50834%0.337SS..THydrogen-bonded Turntrans-82.675.6177.4-69.9160000113.2V475 Q476 V481V475-L478 HydrophobicContact CG1-CD1 4.06Å; V475-L478 VanDerWaalsContact O-CB 3.23Å; V475-L478 WeakPolarHBondContact O-CB 3.36Å; V475-L478 WeakPolarHBondContact O-CD1 3.42Å; V475-L478 WeakPolarHBondContact O-CG 3.32Å; V475-L478 PolarHBondContact O-N 2.67Å; V475-L478 VanDerWaalsContact O-N 3.07Å; Q476-L478 VanDerWaalsContact C-N 3.32Å; L478-V481 WeakPolarHBondContact CD2-O 3.42Å
479K33.3Very low54.2Low212 Ų21264.8 Ų64.892%0.92233%0.334SS*.THydrogen-bonded Turntrans-120.575.7131.9-83.4-169.1178.1-1780107.4E477E477-K479 PolarHBondContact O-N 3.17Å
480G36.6Very low56.4Low80 Ų8062.1 Ų62.183%0.82532%0.316SS*.THydrogen-bonded Turntrans97.6-0.7174.900000116.8
481V37.1Very low58.7Low59 Ų5961.1 Ų61.136%0.35831%0.31SS..  trans-111.3119.8177.1-169.40000109.6E477 L478E477-V481 WeakPolarHBondContact O-CB 3.42Å; L478-V481 WeakPolarHBondContact CD2-O 3.42Å
482N49.6Very low61.1Low47 Ų4758.3 Ų58.325%0.25130%0.298SS..  trans-56.2148.4173.3-66.1-41.7000110.7K446 V484 Q487K446-N482 PolarHBondContact O-ND2 2.87Å; N482-V484 PolarHBondContact O-N 3.1Å; N482-Q487 HydrophobicContact CB-CG 4.42Å
483N67.8Low63.4Low25 Ų2552.8 Ų52.813%0.13428%0.275CS..  trans-42.4116.7173.2176.64.7000111.1L474 Y485 T486L474-N483 VanDerWaalsContact O-CB 3.26Å; L474-N483 WeakPolarHBondContact O-CB 3.49Å; L474-N483 PolarHBondContact O-OD1 3.25Å; N483-Y485 PolarHBondContact O-N 3.2Å; N483-Y485 VanDerWaalsContact OD1-CD2 3.31Å; N483-Y485 WeakPolarHBondContact OD1-CD2 3.39Å; N483-Y485 PolarHBondContact OD1-N 2.91Å; N483-T486 WeakPolarHBondContact CB-OG1 3.28Å; N483-T486 PolarHBondContact ND2-OG1 2.64Å; N483-T486 PolarHBondContact O-N 3.19Å; N483-T486 PolarHBondContact O-OG1 2.9Å
484V73.8Confident65.6Low17 Ų1748.2 Ų48.210%0.10326%0.259CS..G310 helixtrans-54.1-30.7-170.3-178.10000112.9E353 Q356 E477 N482E353-V484 HydrophobicContact CG-CG1 3.78Å; Q356-V484 VanDerWaalsContact CB-O 3.24Å; Q356-V484 WeakPolarHBondContact CB-O 3.25Å; Q356-V484 VanDerWaalsContact CG-O 3.3Å; Q356-V484 WeakPolarHBondContact CG-O 3.35Å; E477-V484 WeakPolarHBondContact OE2-CG2 3.22Å; N482-V484 PolarHBondContact O-N 3.1Å
485Y81.4Confident68Low13 Ų1348.1 Ų48.15%0.05126%0.259CS..G310 helixtrans-85.9-5.5-175.5-50-73.6000114.2L349 E353 Q356 R473 L474 N483L349-Y485 HydrophobicContact CB-CE1 4.17Å; L349-Y485 HydrophobicContact CD2-CD1 4.49Å; L349-Y485 HydrophobicContact CD2-CE1 4.27Å; L349-Y485 WeakPolarHBondContact O-CE1 3.45Å; E353-Y485 HydrophobicContact CB-CE1 4.28Å; Q356-Y485 PolarHBondContact NE2-O 3.43Å; R473-Y485 HydrophobicContact CB-CE2 4.31Å; L474-Y485 HydrophobicContact CD2-CD2 3.27Å; L474-Y485 HydrophobicContact CD2-CE2 3.81Å; L474-Y485 HydrophobicContact CD2-CG 4.15Å; L474-Y485 HydrophobicContact CG-CD2 4.09Å; L474-Y485 HydrophobicContact CG-CE2 4.14Å; N483-Y485 PolarHBondContact O-N 3.2Å; N483-Y485 VanDerWaalsContact OD1-CD2 3.31Å; N483-Y485 WeakPolarHBondContact OD1-CD2 3.39Å; N483-Y485 PolarHBondContact OD1-N 2.91Å
486T81.9Confident70.5Confident32 Ų3245.5 Ų45.520%0.19624%0.243CC..G310 helixtrans-139.432.2-171.660.30000113W230 K446 N483W230-T486 HydrophobicContact CB-CG2 4.01Å; W230-T486 HydrophobicContact CG-CG2 4.47Å; K446-T486 WeakPolarHBondContact CD-O 3.38Å; K446-T486 WeakPolarHBondContact CE-O 3.39Å; K446-T486 PolarHBondContact NZ-O 3.46Å; N483-T486 WeakPolarHBondContact CB-OG1 3.28Å; N483-T486 PolarHBondContact ND2-OG1 2.64Å; N483-T486 PolarHBondContact O-N 3.19Å; N483-T486 PolarHBondContact O-OG1 2.9Å
487Q85.1Confident73.1Confident15 Ų1542 Ų427%0.0723%0.228CC..  trans-71.8-37.9-177.3-65.4179.9-100112.7C360 K446 N482C360-Q487 HydrophobicContact CB-CB 4.31Å; K446-Q487 PolarHBondContact N-O 3.3Å; K446-Q487 VanDerWaalsContact N-O 3.08Å; N482-Q487 HydrophobicContact CB-CG 4.42Å
488H89.3Confident76Confident9 Ų939.3 Ų39.34%0.04222%0.215CC..BIsolated β-bridgetrans-63144.8175.9171.8-93.2000111.3T224 L227 V359 C360 K446T224-H488 PolarHBondContact OG1-CE1 3.41Å; T224-H488 VanDerWaalsContact OG1-CE1 3.26Å; L227-H488 HydrophobicContact CD1-CB 3.86Å; L227-H488 VanDerWaalsContact CD1-CG 3.41Å; L227-H488 VanDerWaalsContact CD1-ND1 3.28Å; L227-H488 WeakPolarHBondContact CD1-ND1 3.18Å; V359-H488 HydrophobicContact CG1-CB 4.29Å; V359-H488 VanDerWaalsContact CG1-CD2 3.43Å; V359-H488 WeakPolarHBondContact CG1-CD2 3.27Å; C360-H488 PolarHBondContact SG-N 3.33Å; C360-H488 VanDerWaalsContact SG-N 3.41Å; K446-H488 WeakPolarHBondContact CE-O 3.43Å; K446-H488 PolarHBondContact NZ-O 3.36Å
489E89.8Confident79.1Confident47 Ų4735 Ų3522%0.2219%0.192CC..  trans-129.5132172.4173.7162.7-134.900109V444 K446 V493V444-E489 WeakPolarHBondContact CB-O 3.46Å; V444-E489 HydrophobicContact CG1-CB 3.9Å; V444-E489 HydrophobicContact CG1-CG 4.07Å; V444-E489 VanDerWaalsContact CG1-O 3.22Å; V444-E489 WeakPolarHBondContact CG1-O 3.29Å; V444-E489 PolarHBondContact O-N 2.82Å; K446-E489 HydrophobicContact CG-CB 3.86Å; E489-V493 HydrophobicContact CG-CB 3.64Å; E489-V493 HydrophobicContact CG-CG1 4.06Å; E489-V493 HydrophobicContact CG-CG2 3.6Å; E489-V493 WeakPolarHBondContact OE1-CG1 3.22Å
490P94Very high82Confident0 Ų025.7 Ų25.70%015%0.153CC..  trans-57.2145.3-178.5-25.434.4000112.3T224 L492 V493 E541 E542T224-P490 HydrophobicContact CG2-CB 4.1Å; T224-P490 HydrophobicContact CG2-CG 3.94Å; P490-L492 HydrophobicContact CB-CB 4.42Å; P490-L492 PolarHBondContact O-N 2.91Å; P490-V493 PolarHBondContact O-N 2.72Å; P490-E541 HydrophobicContact CG-CG 4.17Å; P490-E542 HydrophobicContact CB-CG 3.82Å; P490-E542 HydrophobicContact CG-CG 4.02Å
491L92.3Very high84.7Confident4 Ų427 Ų272%0.02114%0.136CC..Hα-helixtrans-54.9-30.8179.217459.3000112.4Q220 D221 F439 V444 V493 E494 I495Q220-L491 VanDerWaalsContact CD-CD2 3.47Å; Q220-L491 HydrophobicContact CG-CD2 3.75Å; D221-L491 HydrophobicContact CB-CB 4.18Å; D221-L491 HydrophobicContact CB-CD2 4.43Å; D221-L491 PolarHBondContact OD2-N 2.73Å; F439-L491 HydrophobicContact CB-CD1 3.88Å; F439-L491 HydrophobicContact CD1-CD1 3.82Å; F439-L491 HydrophobicContact CG-CD1 4.24Å; V444-L491 HydrophobicContact CG2-CD1 4.41Å; L491-V493 PolarHBondContact O-N 3.49Å; L491-V493 VanDerWaalsContact O-N 3.11Å; L491-E494 PolarHBondContact O-N 2.88Å; L491-E494 VanDerWaalsContact O-N 3.13Å; L491-I495 HydrophobicContact CD1-CD1 4.46Å; L491-I495 HydrophobicContact CD1-CG1 4.43Å; L491-I495 HydrophobicContact CD2-CD1 4.36Å; L491-I495 HydrophobicContact CG-CD1 3.91Å; L491-I495 HydrophobicContact CG-CG1 4.37Å; L491-I495 PolarHBondContact O-N 3.07Å
492L95Very high87.2Confident2 Ų225 Ų251%0.0113%0.127CC..Hα-helixtrans-48.1-37.4173.4179.458.9000113.3L216 P490 I495 L496 I532 F534 E542 L560L216-L492 HydrophobicContact CD1-CD1 3.71Å; P490-L492 HydrophobicContact CB-CB 4.42Å; P490-L492 PolarHBondContact O-N 2.91Å; L492-I495 PolarHBondContact O-N 3Å; L492-L496 HydrophobicContact CD1-CD1 4.04Å; L492-L496 HydrophobicContact CD1-CG 4.06Å; L492-L496 HydrophobicContact CD2-CD1 4.46Å; L492-L496 HydrophobicContact CG-CD1 3.9Å; L492-L496 HydrophobicContact CG-CG 4.36Å; L492-L496 WeakPolarHBondContact O-CB 3.43Å; L492-L496 WeakPolarHBondContact O-CG 3.36Å; L492-L496 PolarHBondContact O-N 2.86Å; L492-I532 HydrophobicContact CD1-CD1 3.85Å; L492-I532 HydrophobicContact CD1-CG2 4.22Å; L492-F534 HydrophobicContact CB-CZ 4.4Å; L492-F534 HydrophobicContact CD1-CE2 3.92Å; L492-F534 HydrophobicContact CD1-CZ 4.27Å; L492-F534 HydrophobicContact CD2-CE2 4.14Å; L492-F534 HydrophobicContact CG-CE2 4.45Å; L492-E542 HydrophobicContact CD2-CB 3.96Å; L492-E542 HydrophobicContact CD2-CG 4.34Å; L492-L560 HydrophobicContact CD2-CD1 4.27Å; L492-L560 HydrophobicContact CD2-CD2 4.29Å
493V94.5Very high89.2Confident4 Ų429 Ų292%0.02414%0.144CC..Hα-helixtrans-69.6-40.4-177-178.60000111.6E489 P490 L491 L496 N497 I549E489-V493 HydrophobicContact CG-CB 3.64Å; E489-V493 HydrophobicContact CG-CG1 4.06Å; E489-V493 HydrophobicContact CG-CG2 3.6Å; E489-V493 WeakPolarHBondContact OE1-CG1 3.22Å; P490-V493 PolarHBondContact O-N 2.72Å; L491-V493 PolarHBondContact O-N 3.49Å; L491-V493 VanDerWaalsContact O-N 3.11Å; V493-L496 PolarHBondContact O-N 3.17Å; V493-N497 VanDerWaalsContact CG1-ND2 3.32Å; V493-N497 WeakPolarHBondContact CG1-ND2 3.4Å; V493-N497 VanDerWaalsContact O-CB 3.29Å; V493-N497 WeakPolarHBondContact O-CB 3.47Å; V493-N497 VanDerWaalsContact O-CG 3.31Å; V493-N497 PolarHBondContact O-N 3.23Å; V493-N497 PolarHBondContact O-ND2 3.07Å; V493-I549 HydrophobicContact CB-CD1 4.47Å; V493-I549 HydrophobicContact CG1-CD1 3.96Å; V493-I549 HydrophobicContact CG2-CD1 4.39Å
494E92.1Very high90.3Very high48 Ų4828.2 Ų28.222%0.22414%0.14CC..Hα-helixtrans-63.9-45.3175.5-167.9-170.6156.700110.8F439 L491 L496 N497 K498F439-E494 HydrophobicContact CD1-CG 4.26Å; F439-E494 HydrophobicContact CE1-CG 4.19Å; L491-E494 PolarHBondContact O-N 2.88Å; L491-E494 VanDerWaalsContact O-N 3.13Å; E494-L496 PolarHBondContact O-N 3.14Å; E494-N497 PolarHBondContact O-N 2.96Å; E494-K498 PolarHBondContact O-N 3.27Å; E494-K498 WeakPolarHBondContact OE1-CE 3.33Å; E494-K498 IonicContact OE1-NZ 3.95Å; E494-K498 PolarHBondContact OE1-NZ 2.91Å
495I93.8Very high91.1Very high3 Ų329.5 Ų29.52%0.01515%0.149CC..Hα-helixtrans-58-49.2176.9-65.8172.3000110.3L214 L216 F439 L491 L492 K498 L499 L504 F509L214-I495 HydrophobicContact CD2-CG2 3.71Å; L216-I495 HydrophobicContact CD1-CD1 4.49Å; L216-I495 HydrophobicContact CD2-CD1 4.3Å; F439-I495 HydrophobicContact CD1-CG1 3.92Å; F439-I495 HydrophobicContact CE1-CB 4.39Å; F439-I495 HydrophobicContact CE1-CG1 3.58Å; F439-I495 HydrophobicContact CZ-CG1 4.14Å; L491-I495 HydrophobicContact CD1-CD1 4.46Å; L491-I495 HydrophobicContact CD1-CG1 4.43Å; L491-I495 HydrophobicContact CD2-CD1 4.36Å; L491-I495 HydrophobicContact CG-CD1 3.91Å; L491-I495 HydrophobicContact CG-CG1 4.37Å; L491-I495 PolarHBondContact O-N 3.07Å; L492-I495 PolarHBondContact O-N 3Å; I495-K498 PolarHBondContact O-N 2.94Å; I495-L499 WeakPolarHBondContact O-CB 3.39Å; I495-L499 PolarHBondContact O-N 3.42Å; I495-L504 HydrophobicContact CG2-CD1 4.03Å; I495-F509 HydrophobicContact CD1-CZ 4.09Å; I495-F509 HydrophobicContact CG1-CZ 4.32Å; I495-F509 HydrophobicContact CG2-CZ 4.35Å
496L94.7Very high91.5Very high0 Ų032.3 Ų32.30%016%0.164CC..Hα-helixtrans-62.1-44.7178.5-84174.7000112.3L492 V493 E494 K498 L499 I500 I530 I532 L546 I549 I558L492-L496 HydrophobicContact CD1-CD1 4.04Å; L492-L496 HydrophobicContact CD1-CG 4.06Å; L492-L496 HydrophobicContact CD2-CD1 4.46Å; L492-L496 HydrophobicContact CG-CD1 3.9Å; L492-L496 HydrophobicContact CG-CG 4.36Å; L492-L496 WeakPolarHBondContact O-CB 3.43Å; L492-L496 WeakPolarHBondContact O-CG 3.36Å; L492-L496 PolarHBondContact O-N 2.86Å; V493-L496 PolarHBondContact O-N 3.17Å; E494-L496 PolarHBondContact O-N 3.14Å; L496-K498 VanDerWaalsContact C-N 3.31Å; L496-K498 PolarHBondContact O-N 2.95Å; L496-L499 PolarHBondContact O-N 3.06Å; L496-L499 VanDerWaalsContact O-N 3.17Å; L496-I500 WeakPolarHBondContact O-CB 3.36Å; L496-I500 VanDerWaalsContact O-CG1 3.25Å; L496-I500 WeakPolarHBondContact O-CG1 3.34Å; L496-I500 PolarHBondContact O-N 3.38Å; L496-I530 HydrophobicContact CD2-CD1 4.44Å; L496-I530 HydrophobicContact CD2-CG2 4.33Å; L496-I532 HydrophobicContact CD1-CD1 3.82Å; L496-I532 HydrophobicContact CD2-CD1 3.38Å; L496-I532 HydrophobicContact CD2-CG1 4.41Å; L496-I532 HydrophobicContact CG-CD1 3.83Å; L496-L546 HydrophobicContact CD1-CD1 4.33Å; L496-I549 HydrophobicContact CB-CD1 4Å; L496-I549 HydrophobicContact CD1-CD1 3.71Å; L496-I558 HydrophobicContact CD1-CD1 4.38Å; L496-I558 HydrophobicContact CD2-CD1 4.14Å; L496-I558 HydrophobicContact CD2-CG2 4.36Å
497N93.5Very high91.9Very high60 Ų6034.4 Ų34.432%0.32119%0.185SC..Hα-helixtrans-60.8-40.1178.3-83.1-46.5000112.1V493 E494 K501V493-N497 VanDerWaalsContact CG1-ND2 3.32Å; V493-N497 WeakPolarHBondContact CG1-ND2 3.4Å; V493-N497 VanDerWaalsContact O-CB 3.29Å; V493-N497 WeakPolarHBondContact O-CB 3.47Å; V493-N497 VanDerWaalsContact O-CG 3.31Å; V493-N497 PolarHBondContact O-N 3.23Å; V493-N497 PolarHBondContact O-ND2 3.07Å; E494-N497 PolarHBondContact O-N 2.96Å; N497-K501 WeakPolarHBondContact O-CB 3.39Å; N497-K501 WeakPolarHBondContact O-CD 3.24Å; N497-K501 WeakPolarHBondContact O-CG 3.5Å; N497-K501 PolarHBondContact O-N 2.87Å
498K92.6Very high92.2Very high52 Ų5233.9 Ų33.923%0.22618%0.183CC..Hα-helixtrans-67.6-42.7173.8-72.3-178.8-173.4165.20111.2F439 E494 I495 L496 K501 G502 Q503 L504F439-K498 HydrophobicContact CE1-CD 3.75Å; F439-K498 HydrophobicContact CZ-CD 3.65Å; E494-K498 PolarHBondContact O-N 3.27Å; E494-K498 WeakPolarHBondContact OE1-CE 3.33Å; E494-K498 IonicContact OE1-NZ 3.95Å; E494-K498 PolarHBondContact OE1-NZ 2.91Å; I495-K498 PolarHBondContact O-N 2.94Å; L496-K498 VanDerWaalsContact C-N 3.31Å; L496-K498 PolarHBondContact O-N 2.95Å; K498-K501 PolarHBondContact O-N 3.43Å; K498-G502 PolarHBondContact O-N 2.68Å; K498-Q503 CarbonylContact O-C 3.5Å; K498-Q503 WeakPolarHBondContact O-CA 3.32Å; K498-Q503 PolarHBondContact O-N 3.44Å; K498-L504 HydrophobicContact CB-CD1 4.15Å; K498-L504 PolarHBondContact O-N 3.28Å
499L93.9Very high92.4Very high5 Ų533.5 Ų33.53%0.02618%0.181CC..Hα-helixtrans-62.2-49.4178.4179.956.7000112.8V212 L214 I495 L496 K501 G502 L504 P527 I530V212-L499 HydrophobicContact CG1-CD1 4.42Å; V212-L499 HydrophobicContact CG1-CD2 4.21Å; L214-L499 HydrophobicContact CD2-CD2 4.14Å; I495-L499 WeakPolarHBondContact O-CB 3.39Å; I495-L499 PolarHBondContact O-N 3.42Å; L496-L499 PolarHBondContact O-N 3.06Å; L496-L499 VanDerWaalsContact O-N 3.17Å; L499-K501 PolarHBondContact O-N 3.01Å; L499-G502 PolarHBondContact O-N 2.88Å; L499-L504 HydrophobicContact CB-CB 4.28Å; L499-L504 HydrophobicContact CB-CD2 4.22Å; L499-L504 HydrophobicContact CD1-CB 4.27Å; L499-L504 HydrophobicContact CD1-CD2 4.03Å; L499-P527 HydrophobicContact CD1-CG 4.08Å; L499-P527 HydrophobicContact CG-CG 4.01Å; L499-P527 VanDerWaalsContact O-CD 3.32Å; L499-P527 WeakPolarHBondContact O-CD 3.37Å; L499-I530 HydrophobicContact CD2-CD1 4.06Å; L499-I530 HydrophobicContact CD2-CG1 4.44Å; L499-I530 HydrophobicContact CD2-CG2 3.84Å; L499-I530 HydrophobicContact CG-CD1 4.25Å
500I93.9Very high92.6Very high18 Ų1832.5 Ų32.59%0.09218%0.179CC..Hα-helixtrans-59.7-34.7179.3-70.1166.8000111.2L496 G502 R526 I530 I549 T553 V556 I558L496-I500 WeakPolarHBondContact O-CB 3.36Å; L496-I500 VanDerWaalsContact O-CG1 3.25Å; L496-I500 WeakPolarHBondContact O-CG1 3.34Å; L496-I500 PolarHBondContact O-N 3.38Å; I500-G502 VanDerWaalsContact C-N 3.26Å; I500-G502 PolarHBondContact O-N 3.35Å; I500-R526 VanDerWaalsContact O-CB 3.32Å; I500-R526 WeakPolarHBondContact O-CB 3.32Å; I500-R526 VanDerWaalsContact O-CG 3.27Å; I500-R526 WeakPolarHBondContact O-CG 3.02Å; I500-I530 HydrophobicContact CG1-CD1 3.81Å; I500-I549 HydrophobicContact CD1-CG2 3.59Å; I500-T553 HydrophobicContact CG2-CG2 3.94Å; I500-V556 HydrophobicContact CD1-CG1 4.37Å; I500-V556 HydrophobicContact CG1-CG1 4.25Å; I500-V556 HydrophobicContact CG2-CG2 4.28Å; I500-I558 HydrophobicContact CD1-CD1 4.06Å
501K92.1Very high92.5Very high108 Ų10834.1 Ų34.147%0.4719%0.191SC..THydrogen-bonded Turntrans-78.9-5.3176.4-68.5171.5-170.9170.10113.6N497 K498 L499 Q503N497-K501 WeakPolarHBondContact O-CB 3.39Å; N497-K501 WeakPolarHBondContact O-CD 3.24Å; N497-K501 WeakPolarHBondContact O-CG 3.5Å; N497-K501 PolarHBondContact O-N 2.87Å; K498-K501 PolarHBondContact O-N 3.43Å; L499-K501 PolarHBondContact O-N 3.01Å; K501-Q503 VanDerWaalsContact C-N 3.29Å; K501-Q503 HydrophobicContact CB-CB 4.37Å; K501-Q503 HydrophobicContact CB-CG 4.06Å
502G90.3Very high92.3Very high17 Ų1735.5 Ų35.518%0.17520%0.198CC..THydrogen-bonded Turntrans71.623.8-174.300000113.3K498 L499 I500 G524K498-G502 PolarHBondContact O-N 2.68Å; L499-G502 PolarHBondContact O-N 2.88Å; I500-G502 VanDerWaalsContact C-N 3.26Å; I500-G502 PolarHBondContact O-N 3.35Å; G502-G524 WeakPolarHBondContact O-CA 3.5Å; G502-G524 PolarHBondContact O-N 3.13Å
503Q91.6Very high91.3Very high131 Ų13137 Ų3761%0.61221%0.211SC*.  trans-115.614.1-173-66175.7-16.100112.5K498 K501 P505K498-Q503 CarbonylContact O-C 3.5Å; K498-Q503 WeakPolarHBondContact O-CA 3.32Å; K498-Q503 PolarHBondContact O-N 3.44Å; K501-Q503 VanDerWaalsContact C-N 3.29Å; K501-Q503 HydrophobicContact CB-CB 4.37Å; K501-Q503 HydrophobicContact CB-CG 4.06Å; Q503-P505 WeakPolarHBondContact O-CD 3.38Å
504L91.6Very high90.1Very high7 Ų737 Ų374%0.03721%0.21CC..  trans-70.7123.3175.7-167.469.1000109.2R176 L214 F439 I495 K498 L499 D506 F509R176-L504 PolarHBondContact NH2-O 2.66Å; R176-L504 VanDerWaalsContact NH2-O 3.13Å; L214-L504 HydrophobicContact CD1-CD2 4.26Å; F439-L504 HydrophobicContact CZ-CD1 4.04Å; I495-L504 HydrophobicContact CG2-CD1 4.03Å; K498-L504 HydrophobicContact CB-CD1 4.15Å; K498-L504 PolarHBondContact O-N 3.28Å; L499-L504 HydrophobicContact CB-CB 4.28Å; L499-L504 HydrophobicContact CB-CD2 4.22Å; L499-L504 HydrophobicContact CD1-CB 4.27Å; L499-L504 HydrophobicContact CD1-CD2 4.03Å; L504-D506 PolarHBondContact O-N 3.17Å; L504-F509 HydrophobicContact CD1-CD2 3.61Å; L504-F509 HydrophobicContact CD1-CE2 3.83Å; L504-F509 HydrophobicContact CD1-CG 4.21Å; L504-F509 HydrophobicContact CD2-CB 3.67Å; L504-F509 HydrophobicContact CD2-CD1 4.25Å; L504-F509 HydrophobicContact CD2-CD2 3.95Å; L504-F509 HydrophobicContact CD2-CG 3.69Å; L504-F509 HydrophobicContact CG-CB 3.96Å; L504-F509 HydrophobicContact CG-CD2 3.64Å; L504-F509 HydrophobicContact CG-CE2 4.37Å; L504-F509 HydrophobicContact CG-CG 3.89Å
505P90.4Very high88.6Confident45 Ų4535.6 Ų35.629%0.29221%0.209SC..  trans-64.5130.9-174.3-21.732.5000112.6R176 Q503 A507 S508 F509R176-P505 PolarHBondContact NH2-O 2.71Å; Q503-P505 WeakPolarHBondContact O-CD 3.38Å; P505-A507 VanDerWaalsContact C-N 3.32Å; P505-A507 PolarHBondContact O-N 2.96Å; P505-S508 PolarHBondContact O-N 3.45Å; P505-F509 PolarHBondContact O-N 3.33Å
506D89.2Confident87.1Confident71 Ų7137.3 Ų37.338%0.3822%0.22SC..THydrogen-bonded Turntrans-71.2-26.8178.9-63.7-39.3000113.1R176 L504 S508 F509 P510R176-D506 IonicContact CZ-OD1 2.78Å; R176-D506 IonicContact NH1-OD1 2.74Å; R176-D506 IonicContact NH2-OD1 3.39Å; R176-D506 PolarHBondContact NH2-OD1 2.97Å; L504-D506 PolarHBondContact O-N 3.17Å; D506-S508 VanDerWaalsContact C-N 3.32Å; D506-S508 PolarHBondContact O-N 2.9Å; D506-F509 CarbonylContact O-C 3.6Å; D506-P510 VanDerWaalsContact O-CA 3.26Å; D506-P510 WeakPolarHBondContact O-CA 3.22Å; D506-P510 WeakPolarHBondContact O-CD 3.43Å; D506-P510 VanDerWaalsContact O-N 3.09Å
507A90.2Very high85.5Confident76 Ų7637.6 Ų37.663%0.62822%0.222SC*.THydrogen-bonded Turntrans-65.7-36.6175.300000112.4N179 P505N179-A507 WeakPolarHBondContact CB-O 3.46Å; N179-A507 PolarHBondContact ND2-O 3.28Å; P505-A507 VanDerWaalsContact C-N 3.32Å; P505-A507 PolarHBondContact O-N 2.96Å
508S92.1Very high83.6Confident5 Ų544.6 Ų44.64%0.03524%0.244CC..THydrogen-bonded Turntrans-91.7-28.2-178.8-48.10000112.2N179 D437 P505 D506N179-S508 WeakPolarHBondContact CB-O 3.48Å; N179-S508 PolarHBondContact N-O 3.4Å; D437-S508 WeakPolarHBondContact CA-OG 3.04Å; D437-S508 WeakPolarHBondContact CB-OG 3.3Å; D437-S508 WeakPolarHBondContact OD1-CB 3.11Å; D437-S508 PolarHBondContact OD1-OG 2.64Å; P505-S508 PolarHBondContact O-N 3.45Å; D506-S508 VanDerWaalsContact C-N 3.32Å; D506-S508 PolarHBondContact O-N 2.9Å
509F94Very high82Confident0 Ų046.6 Ų46.60%025%0.252CS..SBendtrans-133.767.6-179.3-62.4-86.2000112.1R176 Y177 Q178 L214 L216 F439 I495 L504 P505 D506R176-F509 VanDerWaalsContact CZ-O 3.23Å; R176-F509 PolarHBondContact NE-O 2.9Å; R176-F509 PolarHBondContact NH2-O 3.05Å; Y177-F509 VanDerWaalsContact O-CA 3.25Å; Y177-F509 WeakPolarHBondContact O-CA 3.44Å; Q178-F509 HydrophobicContact CB-CD1 4.36Å; Q178-F509 HydrophobicContact CB-CE1 3.98Å; Q178-F509 HydrophobicContact CG-CE1 4.22Å; L214-F509 HydrophobicContact CD1-CD1 3.79Å; L214-F509 HydrophobicContact CD1-CE1 4.31Å; L216-F509 HydrophobicContact CD2-CD1 4.43Å; L216-F509 HydrophobicContact CD2-CE1 3.6Å; L216-F509 HydrophobicContact CD2-CZ 4.43Å; F439-F509 HydrophobicContact CD2-CE2 4.26Å; F439-F509 HydrophobicContact CE2-CD2 4.42Å; F439-F509 AromaticContact CE2-CE2 3.53Å; F439-F509 HydrophobicContact CE2-CE2 3.53Å; F439-F509 HydrophobicContact CE2-CZ 4.36Å; F439-F509 AromaticContact CZ-CE2 3.85Å; F439-F509 HydrophobicContact CZ-CE2 3.85Å; I495-F509 HydrophobicContact CD1-CZ 4.09Å; I495-F509 HydrophobicContact CG1-CZ 4.32Å; I495-F509 HydrophobicContact CG2-CZ 4.35Å; L504-F509 HydrophobicContact CD1-CD2 3.61Å; L504-F509 HydrophobicContact CD1-CE2 3.83Å; L504-F509 HydrophobicContact CD1-CG 4.21Å; L504-F509 HydrophobicContact CD2-CB 3.67Å; L504-F509 HydrophobicContact CD2-CD1 4.25Å; L504-F509 HydrophobicContact CD2-CD2 3.95Å; L504-F509 HydrophobicContact CD2-CG 3.69Å; L504-F509 HydrophobicContact CG-CB 3.96Å; L504-F509 HydrophobicContact CG-CD2 3.64Å; L504-F509 HydrophobicContact CG-CE2 4.37Å; L504-F509 HydrophobicContact CG-CG 3.89Å; P505-F509 PolarHBondContact O-N 3.33Å; D506-F509 CarbonylContact O-C 3.6Å
510P92.9Very high80.5Confident26 Ų2650.5 Ų50.517%0.16928%0.277CS..PPolyproline II helixtrans-58.7149.9-17925.4-37000111.6R176 Y177 N179 D506R176-P510 WeakPolarHBondContact CA-O 3.48Å; Y177-P510 HydrophobicContact CD1-CG 4.42Å; Y177-P510 HydrophobicContact CD2-CG 4.35Å; Y177-P510 HydrophobicContact CE1-CB 4.39Å; Y177-P510 HydrophobicContact CE1-CG 3.8Å; Y177-P510 HydrophobicContact CE2-CG 3.72Å; Y177-P510 VanDerWaalsContact CZ-CG 3.43Å; Y177-P510 PolarHBondContact N-O 3.38Å; Y177-P510 WeakPolarHBondContact O-CD 3.5Å; N179-P510 HydrophobicContact CB-CG 4.02Å; D506-P510 VanDerWaalsContact O-CA 3.26Å; D506-P510 WeakPolarHBondContact O-CA 3.22Å; D506-P510 WeakPolarHBondContact O-CD 3.43Å; D506-P510 VanDerWaalsContact O-N 3.09Å
511S91Very high78.9Confident35 Ų3550.6 Ų50.625%0.24528%0.278CS..EExtended strand (participates in β ladder)trans-100135.4176.363.50000111.6I175I175-S511 CarbonylContact O-C 3.48Å; I175-S511 WeakPolarHBondContact O-CA 3.41Å
512L89Confident77.5Confident32 Ų3249.1 Ų49.117%0.16828%0.279CS..EExtended strand (participates in β ladder)trans-102.1124.7164.1-54.6179.1000109.5I175 Y177 A188 E189I175-L512 HydrophobicContact CB-CB 4.38Å; I175-L512 PolarHBondContact N-O 3.22Å; I175-L512 PolarHBondContact O-N 3.06Å; Y177-L512 HydrophobicContact CD1-CD1 4.22Å; Y177-L512 HydrophobicContact CD1-CG 4.18Å; Y177-L512 HydrophobicContact CE1-CD1 3.87Å; Y177-L512 HydrophobicContact CE1-CD2 3.93Å; Y177-L512 HydrophobicContact CE1-CG 3.66Å; A188-L512 HydrophobicContact CB-CD1 3.78Å; E189-L512 HydrophobicContact CG-CD1 4.12Å
513A75Confident76.3Confident35 Ų3553.2 Ų53.229%0.28931%0.306SS..PPolyproline II helixtrans-69.7143.7165.900000110.1R192 C517R192-A513 WeakPolarHBondContact CD-O 3.3Å; A513-C517 WeakPolarHBondContact CB-O 3.33Å
514T68.3Low75.3Confident2 Ų249.1 Ų49.11%0.01230%0.298CS..BIsolated β-bridgetrans-100.1155.3175.954.10000109.7C172 P173 I175 I195 T516 C517C172-T514 PolarHBondContact SG-OG1 2.95Å; P173-T514 WeakPolarHBondContact O-CG2 3.49Å; P173-T514 PolarHBondContact O-OG1 2.97Å; I175-T514 HydrophobicContact CD1-CG2 3.76Å; I175-T514 HydrophobicContact CG1-CG2 3.96Å; I195-T514 HydrophobicContact CD1-CG2 3.83Å; I195-T514 HydrophobicContact CG2-CG2 4.41Å; T514-T516 PolarHBondContact O-N 3.04Å; T514-C517 PolarHBondContact N-O 3.37Å; T514-C517 VanDerWaalsContact N-O 3.15Å; T514-C517 CarbonylContact O-C 3.5Å; T514-C517 WeakPolarHBondContact O-CA 3.35Å; T514-C517 PolarHBondContact O-N 3.46Å; T514-C517 VanDerWaalsContact O-O 3.06Å; T514-C517 WeakPolarHBondContact OG1-CB 3.39Å
515G60.7Low74.7Confident19 Ų1952.1 Ų52.120%0.19631%0.312CS..THydrogen-bonded Turntrans-57-22-171.700000115.9W518G515-W518 VanDerWaalsContact O-CE2 3.25Å; G515-W518 VanDerWaalsContact O-CZ2 3.23Å; G515-W518 WeakPolarHBondContact O-CZ2 3.4Å; G515-W518 PolarHBondContact O-NE1 3.32Å; G515-W518 VanDerWaalsContact O-NE1 3.17Å
516T61.9Low74.6Confident40 Ų4058.5 Ų58.525%0.24533%0.33CS..THydrogen-bonded Turntrans-100.9-11.8173.855.90000113.3C172 T199 Q206 T514C172-T516 PolarHBondContact SG-OG1 3.32Å; T199-T516 HydrophobicContact CG2-CG2 4.1Å; Q206-T516 PolarHBondContact NE2-O 3.22Å; T514-T516 PolarHBondContact O-N 3.04Å
517C60.7Low74.7Confident5 Ų555.3 Ų55.33%0.03431%0.314CS..BIsolated β-bridgetrans-128.986.3177.9-175.50000110.9A513 T514 K519A513-C517 WeakPolarHBondContact CB-O 3.33Å; T514-C517 PolarHBondContact N-O 3.37Å; T514-C517 VanDerWaalsContact N-O 3.15Å; T514-C517 CarbonylContact O-C 3.5Å; T514-C517 WeakPolarHBondContact O-CA 3.35Å; T514-C517 PolarHBondContact O-N 3.46Å; T514-C517 VanDerWaalsContact O-O 3.06Å; T514-C517 WeakPolarHBondContact OG1-CB 3.39Å; C517-K519 PolarHBondContact O-N 3.11Å
518W55Low74.8Confident208 Ų20857.2 Ų57.279%0.78831%0.308SS*.  trans-73.2-1.3173.8-48.790000113.8G515 T520G515-W518 VanDerWaalsContact O-CE2 3.25Å; G515-W518 VanDerWaalsContact O-CZ2 3.23Å; G515-W518 WeakPolarHBondContact O-CZ2 3.4Å; G515-W518 PolarHBondContact O-NE1 3.32Å; G515-W518 VanDerWaalsContact O-NE1 3.17Å; W518-T520 PolarHBondContact O-N 3.41Å
519K59.3Low75Confident93 Ų9358.8 Ų58.840%0.40432%0.315SS..  trans-76.3120.3-179.5-63.7176.3176.6169.10108.6I174 E208 V210 C517I174-K519 VanDerWaalsContact CD1-O 3.22Å; I174-K519 WeakPolarHBondContact CD1-O 3.43Å; I174-K519 WeakPolarHBondContact CG1-O 3.45Å; E208-K519 IonicContact OE1-NZ 2.73Å; V210-K519 HydrophobicContact CG2-CD 4.25Å; C517-K519 PolarHBondContact O-N 3.11Å
520T61.5Low75.1Confident88 Ų8858.8 Ų58.854%0.5432%0.315SS..  trans-71.2149.615749.10000108.2W518 P522W518-T520 PolarHBondContact O-N 3.41Å; T520-P522 WeakPolarHBondContact O-CD 3.42Å; T520-P522 VanDerWaalsContact O-N 3.15Å
521V60.2Low75.4Confident19 Ų1957.5 Ų57.512%0.11531%0.306CS..  trans-66.9113.1170.2-177.80000105.8I174 V212 S523 Q525I174-V521 HydrophobicContact CB-CG2 4.12Å; I174-V521 HydrophobicContact CD1-CB 4.38Å; I174-V521 HydrophobicContact CD1-CG2 3.39Å; I174-V521 HydrophobicContact CG1-CG2 4.34Å; I174-V521 HydrophobicContact CG2-CG2 3.97Å; V212-V521 HydrophobicContact CG2-CG2 4.33Å; V521-S523 PolarHBondContact O-N 3.28Å; V521-Q525 HydrophobicContact CG1-CB 3.91Å
522P62.1Low75.8Confident77 Ų7755.9 Ų55.950%0.530%0.295SS..  trans-59.6132.8173.2-16.531.5000108T520 G524 Q525T520-P522 WeakPolarHBondContact O-CD 3.42Å; T520-P522 VanDerWaalsContact O-N 3.15Å; P522-G524 PolarHBondContact O-N 2.89Å; P522-Q525 WeakPolarHBondContact O-CB 3.43Å; P522-Q525 PolarHBondContact O-N 2.98Å
523S65.7Low76.2Confident104 Ų10454.3 Ų54.373%0.72729%0.287SS*.THydrogen-bonded Turntrans-51.1129.8178-49.10000109.6V521V521-S523 PolarHBondContact O-N 3.28Å
524G70.9Confident77.3Confident45 Ų4553 Ų5346%0.46428%0.275SS..THydrogen-bonded Turntrans92.4-11.5-174.400000116.3G502 P522 R526G502-G524 WeakPolarHBondContact O-CA 3.5Å; G502-G524 PolarHBondContact O-N 3.13Å; P522-G524 PolarHBondContact O-N 2.89Å; G524-R526 PolarHBondContact O-N 3.47Å
525Q79.8Confident78.7Confident70 Ų7053 Ų5333%0.32727%0.274SS..  trans-68.6127.5171.8-170.9178.527.600110.1P209 V521 P522 P527P209-Q525 HydrophobicContact CB-CG 4.19Å; P209-Q525 VanDerWaalsContact CB-NE2 3.33Å; V521-Q525 HydrophobicContact CG1-CB 3.91Å; P522-Q525 WeakPolarHBondContact O-CB 3.43Å; P522-Q525 PolarHBondContact O-N 2.98Å; Q525-P527 WeakPolarHBondContact O-CD 3.3Å
526R88.2Confident80.4Confident178 Ų17852.1 Ų52.167%0.67227%0.266SS*.  trans-92113.8-178.8-59.2-174-173.2166.82.6109.8P209 I500 G524P209-R526 WeakPolarHBondContact CG-O 3.42Å; I500-R526 VanDerWaalsContact O-CB 3.32Å; I500-R526 WeakPolarHBondContact O-CB 3.32Å; I500-R526 VanDerWaalsContact O-CG 3.27Å; I500-R526 WeakPolarHBondContact O-CG 3.02Å; G524-R526 PolarHBondContact O-N 3.47Å
527P90.6Very high82.1Confident5 Ų550.2 Ų50.23%0.03225%0.254CS..  trans-68.5143.2177.628.7-33000110.4V212 L499 Q525 I530V212-P527 HydrophobicContact CB-CB 4.44Å; V212-P527 HydrophobicContact CG2-CB 3.77Å; V212-P527 HydrophobicContact CG2-CG 4.3Å; L499-P527 HydrophobicContact CD1-CG 4.08Å; L499-P527 HydrophobicContact CG-CG 4.01Å; L499-P527 VanDerWaalsContact O-CD 3.32Å; L499-P527 WeakPolarHBondContact O-CD 3.37Å; Q525-P527 WeakPolarHBondContact O-CD 3.3Å; P527-I530 HydrophobicContact CB-CD1 4.45Å; P527-I530 HydrophobicContact CB-CG1 4.01Å; P527-I530 HydrophobicContact CG-CD1 3.89Å; P527-I530 HydrophobicContact CG-CG1 3.97Å
528K92.9Very high83.9Confident115 Ų11550 Ų5050%0.525%0.252SS..SBendtrans-98.6-23.5172.5-69.2-173.6-171.4171.10112.8P209 G555 V556 D557P209-K528 HydrophobicContact CG-CB 4.07Å; P209-K528 HydrophobicContact CG-CD 4.23Å; P209-K528 HydrophobicContact CG-CG 3.74Å; K528-G555 WeakPolarHBondContact CB-O 3.43Å; K528-G555 WeakPolarHBondContact CG-O 3.29Å; K528-V556 CarbonylContact O-C 3.59Å; K528-V556 WeakPolarHBondContact O-CA 3.11Å; K528-D557 PolarHBondContact O-N 3.29Å
529E95.1Very high86Confident38 Ų3840.1 Ų40.118%0.17822%0.215CC..EExtended strand (participates in β ladder)trans-128113.3-175.1-68.9-178.213800107.8M1 K171 P211 V212 D557M1-E529 HydrophobicContact CE-CB 3.73Å; M1-E529 HydrophobicContact CE-CG 4.11Å; M1-E529 HydrophobicContact CG-CG 4.38Å; M1-E529 HydrophobicContact SD-CB 3.71Å; M1-E529 HydrophobicContact SD-CG 4.04Å; K171-E529 VanDerWaalsContact CE-OE1 3.28Å; K171-E529 WeakPolarHBondContact CE-OE1 3.21Å; K171-E529 WeakPolarHBondContact CE-OE2 3.33Å; K171-E529 IonicContact NZ-OE1 3.8Å; K171-E529 PolarHBondContact NZ-OE1 2.69Å; K171-E529 IonicContact NZ-OE2 2.98Å; K171-E529 PolarHBondContact NZ-OE2 3.03Å; P211-E529 CarbonylContact C-O 2.9Å; P211-E529 WeakPolarHBondContact CA-O 3.39Å; P211-E529 HydrophobicContact CB-CB 3.98Å; P211-E529 HydrophobicContact CG-CB 4.34Å; V212-E529 PolarHBondContact N-O 3.21Å; E529-D557 WeakPolarHBondContact CA-O 3.37Å
530I97.2Very high87.8Confident0 Ų035.9 Ų35.90%020%0.196CC..EExtended strand (participates in β ladder)trans-124.1128.5-175.7-53.6172.1000108.8V212 L496 L499 I500 P527 I532 V556 D557 I558 V559V212-I530 CarbonylContact O-C 3.49Å; V212-I530 WeakPolarHBondContact O-CA 3.47Å; L496-I530 HydrophobicContact CD2-CD1 4.44Å; L496-I530 HydrophobicContact CD2-CG2 4.33Å; L499-I530 HydrophobicContact CD2-CD1 4.06Å; L499-I530 HydrophobicContact CD2-CG1 4.44Å; L499-I530 HydrophobicContact CD2-CG2 3.84Å; L499-I530 HydrophobicContact CG-CD1 4.25Å; I500-I530 HydrophobicContact CG1-CD1 3.81Å; P527-I530 HydrophobicContact CB-CD1 4.45Å; P527-I530 HydrophobicContact CB-CG1 4.01Å; P527-I530 HydrophobicContact CG-CD1 3.89Å; P527-I530 HydrophobicContact CG-CG1 3.97Å; I530-I532 HydrophobicContact CG2-CD1 4.41Å; I530-I532 HydrophobicContact CG2-CG1 3.9Å; I530-V556 HydrophobicContact CD1-CG1 4.05Å; I530-D557 PolarHBondContact N-O 2.97Å; I530-I558 HydrophobicContact CB-CG1 4.25Å; I530-I558 HydrophobicContact CB-CG2 4.14Å; I530-I558 HydrophobicContact CD1-CG1 4.31Å; I530-I558 HydrophobicContact CG2-CG2 4.25Å; I530-I558 CarbonylContact O-C 3.59Å; I530-I558 VanDerWaalsContact O-CA 3.27Å; I530-I558 WeakPolarHBondContact O-CA 3.49Å; I530-V559 PolarHBondContact O-N 2.87Å
531I98.4Very high89.5Confident0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-115.7128.1172.2-58.6168.1000106.3M1 F136 V165 L166 L169 V212 L213 L214 V559M1-I531 HydrophobicContact SD-CD1 4.48Å; M1-I531 HydrophobicContact SD-CG1 4.22Å; F136-I531 HydrophobicContact CE1-CG2 4.48Å; V165-I531 HydrophobicContact CG1-CG2 4.46Å; L166-I531 HydrophobicContact CD2-CD1 3.52Å; L169-I531 HydrophobicContact CD1-CD1 3.86Å; L169-I531 HydrophobicContact CD1-CG1 4.41Å; V212-I531 PolarHBondContact O-N 3.11Å; L213-I531 CarbonylContact C-O 3.07Å; L213-I531 VanDerWaalsContact CA-O 3.28Å; L213-I531 WeakPolarHBondContact CA-O 3.24Å; L213-I531 HydrophobicContact CD1-CB 4.13Å; L213-I531 HydrophobicContact CD1-CG2 3.85Å; L214-I531 PolarHBondContact N-O 2.65Å; I531-V559 CarbonylContact C-O 3.48Å; I531-V559 WeakPolarHBondContact CA-O 3.24Å
532I98.7Very high91.3Very high0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-116.9138.4-178-51175.8000108.5L214 L216 L492 L496 I530 F534 L546 I558 V559 L560 G561L214-I532 CarbonylContact O-C 3.5Å; L214-I532 WeakPolarHBondContact O-CA 3.43Å; L216-I532 HydrophobicContact CD1-CG2 3.8Å; L216-I532 HydrophobicContact CG-CG2 4.34Å; L492-I532 HydrophobicContact CD1-CD1 3.85Å; L492-I532 HydrophobicContact CD1-CG2 4.22Å; L496-I532 HydrophobicContact CD1-CD1 3.82Å; L496-I532 HydrophobicContact CD2-CD1 3.38Å; L496-I532 HydrophobicContact CD2-CG1 4.41Å; L496-I532 HydrophobicContact CG-CD1 3.83Å; I530-I532 HydrophobicContact CG2-CD1 4.41Å; I530-I532 HydrophobicContact CG2-CG1 3.9Å; I532-F534 HydrophobicContact CG2-CD2 4.23Å; I532-F534 HydrophobicContact CG2-CE2 4.18Å; I532-L546 HydrophobicContact CD1-CD1 4.12Å; I532-I558 HydrophobicContact CD1-CG2 3.79Å; I532-I558 HydrophobicContact CG1-CG2 4.18Å; I532-V559 PolarHBondContact N-O 3.43Å; I532-L560 HydrophobicContact CB-CD1 3.77Å; I532-L560 HydrophobicContact CG2-CD1 3.79Å; I532-G561 PolarHBondContact O-N 3.07Å
533F98.8Very high93Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-131.4122.9173.6-170.1-100.2000112F136 L138 L162 L187 L214 I215 L216 I535 G561 G562 T563F136-F533 AromaticContact CE2-CD2 3.92Å; F136-F533 HydrophobicContact CE2-CD2 3.92Å; F136-F533 HydrophobicContact CE2-CE2 4.11Å; F136-F533 HydrophobicContact CZ-CD2 4.03Å; L138-F533 HydrophobicContact CD1-CE2 3.84Å; L138-F533 HydrophobicContact CD1-CZ 3.64Å; L138-F533 HydrophobicContact CG-CE2 4.12Å; L138-F533 HydrophobicContact CG-CZ 4.31Å; L162-F533 HydrophobicContact CD1-CB 3.98Å; L162-F533 HydrophobicContact CD1-CD1 3.72Å; L162-F533 HydrophobicContact CD1-CD2 4.03Å; L162-F533 HydrophobicContact CD1-CE1 4.17Å; L162-F533 HydrophobicContact CD1-CE2 4.44Å; L162-F533 HydrophobicContact CD1-CG 3.63Å; L162-F533 HydrophobicContact CD1-CZ 4.5Å; L162-F533 HydrophobicContact CD2-CB 3.81Å; L162-F533 HydrophobicContact CD2-CD2 3.64Å; L162-F533 HydrophobicContact CD2-CE2 4.39Å; L162-F533 HydrophobicContact CD2-CG 3.81Å; L162-F533 HydrophobicContact CG-CB 4.45Å; L162-F533 HydrophobicContact CG-CD2 3.96Å; L162-F533 HydrophobicContact CG-CE2 4.3Å; L162-F533 HydrophobicContact CG-CG 4.06Å; L187-F533 HydrophobicContact CD2-CD1 3.75Å; L187-F533 HydrophobicContact CD2-CE1 3.75Å; L214-F533 PolarHBondContact O-N 3.34Å; I215-F533 WeakPolarHBondContact CA-O 3.31Å; L216-F533 PolarHBondContact N-O 2.98Å; F533-I535 HydrophobicContact CD1-CG1 4.33Å; F533-I535 HydrophobicContact CE1-CG1 4.22Å; F533-G561 CarbonylContact C-O 3.51Å; F533-G561 VanDerWaalsContact CA-O 3.25Å; F533-G561 WeakPolarHBondContact CA-O 3.36Å; F533-G562 VanDerWaalsContact CE2-C 3.43Å; F533-T563 HydrophobicContact CE1-CG2 4.15Å; F533-T563 HydrophobicContact CZ-CG2 3.91Å
534F98.4Very high94.4Very high7 Ų723.1 Ų23.13%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-93.7122.3170.3-85.8-101000112L216 L492 I532 G537 V538 L560 G561 G562 T563L216-F534 HydrophobicContact CB-CD1 3.95Å; L216-F534 HydrophobicContact CB-CD2 4.17Å; L216-F534 HydrophobicContact CB-CE1 3.86Å; L216-F534 HydrophobicContact CB-CE2 4.1Å; L216-F534 HydrophobicContact CB-CG 4.13Å; L216-F534 HydrophobicContact CB-CZ 3.95Å; L216-F534 HydrophobicContact CD1-CD2 4.23Å; L216-F534 HydrophobicContact CD1-CE1 4.27Å; L216-F534 HydrophobicContact CD1-CE2 3.49Å; L216-F534 VanDerWaalsContact CD1-CE2 3.49Å; L216-F534 HydrophobicContact CD1-CZ 3.52Å; L216-F534 HydrophobicContact CG-CE2 4.38Å; L216-F534 HydrophobicContact CG-CZ 4.38Å; L216-F534 WeakPolarHBondContact O-CA 3.27Å; L492-F534 HydrophobicContact CB-CZ 4.4Å; L492-F534 HydrophobicContact CD1-CE2 3.92Å; L492-F534 HydrophobicContact CD1-CZ 4.27Å; L492-F534 HydrophobicContact CD2-CE2 4.14Å; L492-F534 HydrophobicContact CG-CE2 4.45Å; I532-F534 HydrophobicContact CG2-CD2 4.23Å; I532-F534 HydrophobicContact CG2-CE2 4.18Å; F534-G537 VanDerWaalsContact CB-O 3.25Å; F534-G537 WeakPolarHBondContact CB-O 3.3Å; F534-G537 PolarHBondContact O-N 2.89Å; F534-V538 HydrophobicContact CB-CG1 3.69Å; F534-V538 HydrophobicContact CD2-CG1 3.66Å; F534-V538 HydrophobicContact CG-CG1 3.91Å; F534-L560 HydrophobicContact CD2-CD1 4.11Å; F534-L560 HydrophobicContact CE2-CD1 4.32Å; F534-G561 PolarHBondContact N-O 2.96Å; F534-G562 WeakPolarHBondContact O-CA 3.49Å; F534-T563 PolarHBondContact O-N 3.14Å; F534-T563 VanDerWaalsContact O-N 3.11Å
535I97.6Very high95.6Very high2 Ų221.2 Ų21.21%0.019%0.091CC..EExtended strand (participates in β ladder)trans-74.6127.1160.1-57.8172.5000107.3L150 V183 A184 L187 I215 L216 R218 F533L150-I535 HydrophobicContact CD1-CG2 3.82Å; V183-I535 HydrophobicContact CB-CD1 4.33Å; V183-I535 HydrophobicContact CG2-CD1 3.97Å; V183-I535 HydrophobicContact CG2-CG2 4.16Å; V183-I535 WeakPolarHBondContact O-CD1 3.48Å; A184-I535 HydrophobicContact CB-CD1 4.19Å; L187-I535 HydrophobicContact CB-CD1 4.15Å; L187-I535 HydrophobicContact CD2-CD1 3.87Å; L187-I535 HydrophobicContact CD2-CG1 3.87Å; I215-I535 HydrophobicContact CG2-CD1 3.95Å; I215-I535 HydrophobicContact CG2-CG1 4.23Å; L216-I535 PolarHBondContact O-N 2.94Å; R218-I535 VanDerWaalsContact CB-O 3.29Å; R218-I535 WeakPolarHBondContact CB-O 3.5Å; R218-I535 PolarHBondContact N-O 3.27Å; F533-I535 HydrophobicContact CD1-CG1 4.33Å; F533-I535 HydrophobicContact CE1-CG1 4.22Å
536G95.7Very high96.4Very high1 Ų117.9 Ų17.91%0.018%0.075CC..THydrogen-bonded Turntrans83.619.4-172.700000113.8R218 T563 H566R218-G536 WeakPolarHBondContact CB-O 3.1Å; R218-G536 WeakPolarHBondContact CG-O 3.28Å; G536-T563 WeakPolarHBondContact CA-OG1 3.36Å; G536-T563 PolarHBondContact N-OG1 3.42Å; G536-T563 VanDerWaalsContact N-OG1 3.15Å; G536-H566 PolarHBondContact O-CD2 3.15Å; G536-H566 PolarHBondContact O-NE2 3.24Å
537G97.4Very high96.7Very high0 Ų011.3 Ų11.30%05%0.052CC..  trans81.5167.4166.400000116.2R218 F534 T563 C564R218-G537 PolarHBondContact NE-O 2.71Å; R218-G537 PolarHBondContact NH2-O 2.82Å; F534-G537 VanDerWaalsContact CB-O 3.25Å; F534-G537 WeakPolarHBondContact CB-O 3.3Å; F534-G537 PolarHBondContact O-N 2.89Å; G537-T563 PolarHBondContact N-OG1 2.88Å; G537-C564 CarbonylContact C-O 3.47Å; G537-C564 WeakPolarHBondContact CA-O 3.25Å
538V98.4Very high96.8Very high0 Ų015.5 Ų15.50%07%0.07CC..BIsolated β-bridgetrans-115.4170178.4-61.60000110.7L135 F534 E542 L560 G561 C564 V565 H566L135-V538 HydrophobicContact CD1-CG2 4.11Å; F534-V538 HydrophobicContact CB-CG1 3.69Å; F534-V538 HydrophobicContact CD2-CG1 3.66Å; F534-V538 HydrophobicContact CG-CG1 3.91Å; V538-E542 VanDerWaalsContact CA-OE2 3.26Å; V538-E542 WeakPolarHBondContact CA-OE2 3.45Å; V538-L560 HydrophobicContact CB-CD2 4.27Å; V538-L560 HydrophobicContact CB-CG 4.5Å; V538-L560 HydrophobicContact CG1-CD1 3.9Å; V538-L560 HydrophobicContact CG1-CD2 4.14Å; V538-L560 HydrophobicContact CG1-CG 3.92Å; V538-G561 WeakPolarHBondContact CG1-O 3.38Å; V538-C564 PolarHBondContact N-O 2.92Å; V538-V565 HydrophobicContact CG2-CG2 3.95Å; V538-V565 CarbonylContact O-C 3.51Å; V538-V565 WeakPolarHBondContact O-CA 3.29Å; V538-H566 PolarHBondContact O-N 2.78Å
539T98.4Very high97Very high0 Ų010.6 Ų10.60%05%0.049CC..  trans-117.5157.717073.90000111.2T224 P225 E541 E542 V543T224-T539 HydrophobicContact CG2-CG2 4.19Å; T224-T539 WeakPolarHBondContact CG2-OG1 3.43Å; P225-T539 HydrophobicContact CB-CG2 3.93Å; P225-T539 HydrophobicContact CG-CG2 3.87Å; T539-E541 PolarHBondContact O-N 3.48Å; T539-E541 PolarHBondContact OG1-N 2.94Å; T539-E542 PolarHBondContact N-OE2 3.33Å; T539-E542 WeakPolarHBondContact O-CB 3.28Å; T539-E542 PolarHBondContact O-N 3.44Å; T539-E542 VanDerWaalsContact O-N 3.14Å; T539-E542 WeakPolarHBondContact OG1-CG 3.3Å; T539-E542 PolarHBondContact OG1-N 3.41Å; T539-V543 WeakPolarHBondContact O-CG2 3.14Å; T539-V543 PolarHBondContact O-N 3.46Å; T539-V543 VanDerWaalsContact O-N 3.14Å
540Y98.2Very high96.9Very high4 Ų410.2 Ų10.22%0.0165%0.048CC..Hα-helixtrans-67.3-20.9173.1-77.9-65.8000113.3L135 E233 H237 I242 E542 V543 S544 V565L135-Y540 HydrophobicContact CD2-CD1 4.22Å; L135-Y540 HydrophobicContact CD2-CE1 3.66Å; E233-Y540 HydrophobicContact CG-CD1 3.43Å; E233-Y540 VanDerWaalsContact CG-CD1 3.43Å; E233-Y540 HydrophobicContact CG-CD2 4.25Å; E233-Y540 HydrophobicContact CG-CE1 3.68Å; E233-Y540 HydrophobicContact CG-CE2 4.46Å; E233-Y540 HydrophobicContact CG-CG 3.74Å; E233-Y540 VanDerWaalsContact OE2-CD1 3.26Å; E233-Y540 WeakPolarHBondContact OE2-CD1 3.44Å; H237-Y540 HydrophobicContact CB-CD2 3.43Å; H237-Y540 VanDerWaalsContact CB-CD2 3.43Å; H237-Y540 HydrophobicContact CB-CE2 3.66Å; H237-Y540 AromaticContact CD2-CD2 3.66Å; H237-Y540 AromaticContact CD2-CE2 3.9Å; H237-Y540 AromaticContact CG-CD2 3.49Å; H237-Y540 VanDerWaalsContact CG-CD2 3.49Å; H237-Y540 AromaticContact CG-CE2 3.48Å; H237-Y540 VanDerWaalsContact CG-CE2 3.48Å; H237-Y540 AromaticContact ND1-CE2 3.71Å; I242-Y540 HydrophobicContact CB-CE2 4.41Å; I242-Y540 HydrophobicContact CD1-CE2 4.07Å; Y540-E542 VanDerWaalsContact C-N 3.35Å; Y540-V543 HydrophobicContact CD1-CB 4.4Å; Y540-V543 HydrophobicContact CD1-CG2 4.25Å; Y540-V543 PolarHBondContact O-N 3.04Å; Y540-S544 WeakPolarHBondContact O-CB 3.41Å; Y540-S544 PolarHBondContact O-N 3.4Å; Y540-V565 HydrophobicContact CD1-CG1 4.4Å; Y540-V565 HydrophobicContact CD2-CG1 3.57Å; Y540-V565 HydrophobicContact CE1-CG1 4.35Å; Y540-V565 HydrophobicContact CE2-CB 4.35Å; Y540-V565 HydrophobicContact CE2-CG1 3.5Å; Y540-V565 VanDerWaalsContact CE2-CG1 3.5Å; Y540-V565 HydrophobicContact CG-CG1 4.05Å
541E96.7Very high96.7Very high19 Ų1914.4 Ų14.49%0.0898%0.076CC..Hα-helixtrans-66.3-37.5170.1-174.761.3-150.300111.7Q229 P490 T539 S544 S545Q229-E541 HydrophobicContact CG-CB 4.23Å; P490-E541 HydrophobicContact CG-CG 4.17Å; T539-E541 PolarHBondContact O-N 3.48Å; T539-E541 PolarHBondContact OG1-N 2.94Å; E541-S544 PolarHBondContact O-N 2.98Å; E541-S545 WeakPolarHBondContact O-CB 3.12Å; E541-S545 PolarHBondContact O-N 3.02Å; E541-S545 PolarHBondContact O-OG 2.9Å
542E97.9Very high96.5Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-67.6-40.3172.9-69.5168.215500111.5R218 T224 P490 L492 V538 T539 Y540 S544 S545 L546 L560R218-E542 IonicContact CZ-OE1 3.37Å; R218-E542 IonicContact CZ-OE2 3.52Å; R218-E542 IonicContact NH1-OE1 3.32Å; R218-E542 PolarHBondContact NH1-OE1 3.06Å; R218-E542 IonicContact NH1-OE2 2.74Å; R218-E542 IonicContact NH2-OE1 3.12Å; R218-E542 PolarHBondContact NH2-OE1 3.49Å; R218-E542 IonicContact NH2-OE2 3.43Å; R218-E542 PolarHBondContact NH2-OE2 2.82Å; T224-E542 HydrophobicContact CG2-CG 3.94Å; P490-E542 HydrophobicContact CB-CG 3.82Å; P490-E542 HydrophobicContact CG-CG 4.02Å; L492-E542 HydrophobicContact CD2-CB 3.96Å; L492-E542 HydrophobicContact CD2-CG 4.34Å; V538-E542 VanDerWaalsContact CA-OE2 3.26Å; V538-E542 WeakPolarHBondContact CA-OE2 3.45Å; T539-E542 PolarHBondContact N-OE2 3.33Å; T539-E542 WeakPolarHBondContact O-CB 3.28Å; T539-E542 PolarHBondContact O-N 3.44Å; T539-E542 VanDerWaalsContact O-N 3.14Å; T539-E542 WeakPolarHBondContact OG1-CG 3.3Å; T539-E542 PolarHBondContact OG1-N 3.41Å; Y540-E542 VanDerWaalsContact C-N 3.35Å; E542-S544 VanDerWaalsContact C-N 3.34Å; E542-S544 PolarHBondContact O-N 3.07Å; E542-S545 PolarHBondContact O-N 3.23Å; E542-L546 WeakPolarHBondContact O-CB 3.37Å; E542-L546 PolarHBondContact O-N 3.31Å; E542-L560 HydrophobicContact CB-CD2 4.24Å
543V98Very high96.2Very high1 Ų120.3 Ų20.31%0.00612%0.116CC..Hα-helixtrans-60.1-45.4174.5179.50000110.7F134 L135 F277 T539 Y540 S545 L546 H547 L560F134-V543 HydrophobicContact CD2-CG1 4.33Å; F134-V543 HydrophobicContact CE2-CG1 3.73Å; L135-V543 HydrophobicContact CD1-CG2 3.74Å; L135-V543 HydrophobicContact CD2-CG1 4.22Å; L135-V543 HydrophobicContact CD2-CG2 3.78Å; L135-V543 HydrophobicContact CG-CG2 4.28Å; F277-V543 HydrophobicContact CE1-CG1 4.08Å; F277-V543 HydrophobicContact CZ-CG1 4.19Å; T539-V543 WeakPolarHBondContact O-CG2 3.14Å; T539-V543 PolarHBondContact O-N 3.46Å; T539-V543 VanDerWaalsContact O-N 3.14Å; Y540-V543 HydrophobicContact CD1-CB 4.4Å; Y540-V543 HydrophobicContact CD1-CG2 4.25Å; Y540-V543 PolarHBondContact O-N 3.04Å; V543-S545 VanDerWaalsContact C-N 3.34Å; V543-S545 PolarHBondContact O-N 2.83Å; V543-L546 PolarHBondContact O-N 2.76Å; V543-H547 WeakPolarHBondContact O-CB 3.14Å; V543-H547 PolarHBondContact O-N 3.34Å; V543-L560 HydrophobicContact CG2-CD2 3.94Å
544S96.3Very high95.7Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-59.8-43.7175.4176.40000112Y540 E541 E542 H547 K548Y540-S544 WeakPolarHBondContact O-CB 3.41Å; Y540-S544 PolarHBondContact O-N 3.4Å; E541-S544 PolarHBondContact O-N 2.98Å; E542-S544 VanDerWaalsContact C-N 3.34Å; E542-S544 PolarHBondContact O-N 3.07Å; S544-H547 PolarHBondContact O-N 3.14Å; S544-K548 WeakPolarHBondContact O-CG 3.3Å; S544-K548 PolarHBondContact O-N 3.35Å; S544-K548 VanDerWaalsContact O-N 3.14Å
545S95.2Very high95.3Very high5 Ų531 Ų314%0.03519%0.186CC..Hα-helixtrans-66.4-42.6178-59.90000112E541 E542 V543 K548 I549E541-S545 WeakPolarHBondContact O-CB 3.12Å; E541-S545 PolarHBondContact O-N 3.02Å; E541-S545 PolarHBondContact O-OG 2.9Å; E542-S545 PolarHBondContact O-N 3.23Å; V543-S545 VanDerWaalsContact C-N 3.34Å; V543-S545 PolarHBondContact O-N 2.83Å; S545-K548 WeakPolarHBondContact O-CB 3.47Å; S545-K548 PolarHBondContact O-N 3.46Å; S545-I549 WeakPolarHBondContact O-CG1 3.13Å; S545-I549 PolarHBondContact O-N 3.26Å
546L96.2Very high95.2Very high1 Ų131.8 Ų31.81%0.00519%0.192CC..Hα-helixtrans-63.7-40.9174.4178.8144.3000112.4F134 L496 I532 E542 V543 K548 I549 N550 I558 L560F134-L546 HydrophobicContact CD2-CD2 4.27Å; L496-L546 HydrophobicContact CD1-CD1 4.33Å; I532-L546 HydrophobicContact CD1-CD1 4.12Å; E542-L546 WeakPolarHBondContact O-CB 3.37Å; E542-L546 PolarHBondContact O-N 3.31Å; V543-L546 PolarHBondContact O-N 2.76Å; L546-K548 VanDerWaalsContact C-N 3.29Å; L546-K548 PolarHBondContact O-N 2.68Å; L546-I549 WeakPolarHBondContact O-CB 3.29Å; L546-I549 PolarHBondContact O-N 3.22Å; L546-N550 WeakPolarHBondContact CD2-ND2 3.49Å; L546-N550 PolarHBondContact O-N 3.3Å; L546-I558 HydrophobicContact CD1-CB 4.16Å; L546-I558 HydrophobicContact CD1-CG2 3.43Å; L546-I558 VanDerWaalsContact CD1-CG2 3.43Å; L546-I558 HydrophobicContact CD2-CB 4.36Å; L546-I558 HydrophobicContact CD2-CG2 4.49Å; L546-I558 HydrophobicContact CG-CB 4.21Å; L546-I558 HydrophobicContact CG-CG2 4.01Å; L546-L560 HydrophobicContact CD1-CB 3.67Å; L546-L560 HydrophobicContact CD1-CD1 4.47Å; L546-L560 HydrophobicContact CD1-CD2 4.24Å; L546-L560 HydrophobicContact CD1-CG 4.34Å
547H94.8Very high95.2Very high40 Ų4034.3 Ų34.319%0.18521%0.205CC..Hα-helixtrans-60.2-40.8176.1-179.672.6000111.6F134 F277 V543 S544 I549 N550 C551F134-H547 AromaticContact CE1-ND1 3.97Å; F134-H547 AromaticContact CZ-ND1 3.86Å; F277-H547 HydrophobicContact CD2-CB 3.98Å; F277-H547 AromaticContact CD2-CD2 3.1Å; F277-H547 WeakPolarHBondContact CD2-CD2 3.39Å; F277-H547 AromaticContact CD2-CG 3.47Å; F277-H547 VanDerWaalsContact CD2-CG 3.47Å; F277-H547 AromaticContact CD2-NE2 3.61Å; F277-H547 HydrophobicContact CE1-CB 4.44Å; F277-H547 HydrophobicContact CE2-CB 3.57Å; F277-H547 AromaticContact CE2-CD2 3.32Å; F277-H547 WeakPolarHBondContact CE2-CD2 3.46Å; F277-H547 AromaticContact CE2-CE1 3.88Å; F277-H547 AromaticContact CE2-CG 3.16Å; F277-H547 AromaticContact CE2-ND1 3.54Å; F277-H547 AromaticContact CE2-NE2 3.76Å; F277-H547 HydrophobicContact CZ-CB 3.84Å; F277-H547 AromaticContact CZ-CG 3.94Å; V543-H547 WeakPolarHBondContact O-CB 3.14Å; V543-H547 PolarHBondContact O-N 3.34Å; S544-H547 PolarHBondContact O-N 3.14Å; H547-I549 VanDerWaalsContact C-N 3.28Å; H547-I549 PolarHBondContact O-N 3.14Å; H547-N550 PolarHBondContact O-N 2.98Å; H547-C551 PolarHBondContact CE1-SG 3.28Å; H547-C551 PolarHBondContact NE2-SG 3.33Å; H547-C551 VanDerWaalsContact NE2-SG 3.39Å; H547-C551 WeakPolarHBondContact O-CB 3.4Å; H547-C551 PolarHBondContact O-N 2.94Å; H547-C551 PolarHBondContact O-SG 3.19Å; H547-C551 VanDerWaalsContact O-SG 3.38Å
548K93.8Very high95.2Very high93 Ų9334.3 Ų34.340%0.40421%0.205SC..Hα-helixtrans-60.3-38.8173.9-68165.8-169.4160.40111.7S544 S545 L546 C551 S552S544-K548 WeakPolarHBondContact O-CG 3.3Å; S544-K548 PolarHBondContact O-N 3.35Å; S544-K548 VanDerWaalsContact O-N 3.14Å; S545-K548 WeakPolarHBondContact O-CB 3.47Å; S545-K548 PolarHBondContact O-N 3.46Å; L546-K548 VanDerWaalsContact C-N 3.29Å; L546-K548 PolarHBondContact O-N 2.68Å; K548-C551 PolarHBondContact O-N 2.89Å; K548-S552 VanDerWaalsContact O-CB 3.31Å; K548-S552 WeakPolarHBondContact O-CB 3.19Å; K548-S552 PolarHBondContact O-N 2.64Å; K548-S552 PolarHBondContact O-OG 3.1Å
549I95.3Very high95.2Very high11 Ų1134.3 Ų34.36%0.05621%0.205CC..Hα-helixtrans-66.4-47.5176.3-63.1168.6000110.7V493 L496 I500 S545 L546 H547 C551 S552 T553 I558V493-I549 HydrophobicContact CB-CD1 4.47Å; V493-I549 HydrophobicContact CG1-CD1 3.96Å; V493-I549 HydrophobicContact CG2-CD1 4.39Å; L496-I549 HydrophobicContact CB-CD1 4Å; L496-I549 HydrophobicContact CD1-CD1 3.71Å; I500-I549 HydrophobicContact CD1-CG2 3.59Å; S545-I549 WeakPolarHBondContact O-CG1 3.13Å; S545-I549 PolarHBondContact O-N 3.26Å; L546-I549 WeakPolarHBondContact O-CB 3.29Å; L546-I549 PolarHBondContact O-N 3.22Å; H547-I549 VanDerWaalsContact C-N 3.28Å; H547-I549 PolarHBondContact O-N 3.14Å; I549-C551 VanDerWaalsContact C-N 3.27Å; I549-C551 PolarHBondContact O-N 2.83Å; I549-S552 PolarHBondContact O-N 2.84Å; I549-S552 PolarHBondContact O-OG 3.49Å; I549-T553 VanDerWaalsContact O-CB 3.25Å; I549-T553 WeakPolarHBondContact O-CB 3.42Å; I549-T553 PolarHBondContact O-N 2.88Å; I549-T553 PolarHBondContact O-OG1 3.47Å; I549-T553 VanDerWaalsContact O-OG1 3.07Å; I549-I558 HydrophobicContact CB-CD1 4.37Å; I549-I558 HydrophobicContact CG2-CD1 3.62Å
550N94.4Very high95.2Very high31 Ų3134.3 Ų34.317%0.16621%0.205CC..Hα-helixtrans-56.8-40.1176-82.8-13.9000112.2L546 H547 I558L546-N550 WeakPolarHBondContact CD2-ND2 3.49Å; L546-N550 PolarHBondContact O-N 3.3Å; H547-N550 PolarHBondContact O-N 2.98Å; N550-I558 PolarHBondContact ND2-O 3.21Å; N550-I558 WeakPolarHBondContact OD1-CB 3.39Å; N550-I558 WeakPolarHBondContact OD1-CG1 3.43Å; N550-I558 PolarHBondContact OD1-N 3.28Å
551C93.4Very high95.2Very high87 Ų8734.1 Ų34.159%0.58820%0.204SC*.Hα-helixtrans-75.1-30.6179-71.40000113.7H547 K548 I549H547-C551 PolarHBondContact CE1-SG 3.28Å; H547-C551 PolarHBondContact NE2-SG 3.33Å; H547-C551 VanDerWaalsContact NE2-SG 3.39Å; H547-C551 WeakPolarHBondContact O-CB 3.4Å; H547-C551 PolarHBondContact O-N 2.94Å; H547-C551 PolarHBondContact O-SG 3.19Å; H547-C551 VanDerWaalsContact O-SG 3.38Å; K548-C551 PolarHBondContact O-N 2.89Å; I549-C551 VanDerWaalsContact C-N 3.27Å; I549-C551 PolarHBondContact O-N 2.83Å
552S92.8Very high95.3Very high90 Ų9033.2 Ų33.263%0.62920%0.2SC*.Hα-helixtrans-94.3-20.9-176.357.10000114.1K548 I549K548-S552 VanDerWaalsContact O-CB 3.31Å; K548-S552 WeakPolarHBondContact O-CB 3.19Å; K548-S552 PolarHBondContact O-N 2.64Å; K548-S552 PolarHBondContact O-OG 3.1Å; I549-S552 PolarHBondContact O-N 2.84Å; I549-S552 PolarHBondContact O-OG 3.49Å
553T93Very high95.3Very high34 Ų3433.2 Ų33.221%0.20920%0.2CC..SBendtrans-106.988.3-175.3-49.90000110.6I500 I549 G555 V556I500-T553 HydrophobicContact CG2-CG2 3.94Å; I549-T553 VanDerWaalsContact O-CB 3.25Å; I549-T553 WeakPolarHBondContact O-CB 3.42Å; I549-T553 PolarHBondContact O-N 2.88Å; I549-T553 PolarHBondContact O-OG1 3.47Å; I549-T553 VanDerWaalsContact O-OG1 3.07Å; T553-G555 PolarHBondContact O-N 2.99Å; T553-V556 HydrophobicContact CG2-CB 3.83Å; T553-V556 HydrophobicContact CG2-CG2 3.56Å; T553-V556 PolarHBondContact O-N 2.9Å
554L89.1Confident95.3Very high173 Ų17333.4 Ų33.491%0.90620%0.201SC*.THydrogen-bonded Turntrans-57.1132.5-178.5-126.394.7000112.2V556L554-V556 VanDerWaalsContact C-N 3.26Å; L554-V556 PolarHBondContact O-N 3.4Å
555G90Very high95.4Very high58 Ų5834 Ų3460%0.59820%0.204SC*.THydrogen-bonded Turntrans78.44.6175.700000115.1K528 T553K528-G555 WeakPolarHBondContact CB-O 3.43Å; K528-G555 WeakPolarHBondContact CG-O 3.29Å; T553-G555 PolarHBondContact O-N 2.99Å
556V93.9Very high95.5Very high20 Ų2033.8 Ų33.812%0.12120%0.203CC..  trans-107.2134.6166.6-1780000108.3I500 K528 I530 T553 L554 I558I500-V556 HydrophobicContact CD1-CG1 4.37Å; I500-V556 HydrophobicContact CG1-CG1 4.25Å; I500-V556 HydrophobicContact CG2-CG2 4.28Å; K528-V556 CarbonylContact O-C 3.59Å; K528-V556 WeakPolarHBondContact O-CA 3.11Å; I530-V556 HydrophobicContact CD1-CG1 4.05Å; T553-V556 HydrophobicContact CG2-CB 3.83Å; T553-V556 HydrophobicContact CG2-CG2 3.56Å; T553-V556 PolarHBondContact O-N 2.9Å; L554-V556 VanDerWaalsContact C-N 3.26Å; L554-V556 PolarHBondContact O-N 3.4Å; V556-I558 HydrophobicContact CG1-CD1 4.16Å; V556-I558 HydrophobicContact CG1-CG1 3.83Å
557D95.7Very high95.6Very high53 Ų5334.4 Ų34.428%0.28321%0.207SC..EExtended strand (participates in β ladder)trans-125.9129.5177-169.87.3000108.6M1 K528 E529 I530M1-D557 WeakPolarHBondContact CA-OD2 3.3Å; M1-D557 WeakPolarHBondContact CB-OD2 3.18Å; M1-D557 VanDerWaalsContact CE-C 3.5Å; M1-D557 HydrophobicContact CE-CB 3.92Å; M1-D557 WeakPolarHBondContact CE-O 3.35Å; M1-D557 PolarHBondContact N-OD2 3.22Å; K528-D557 PolarHBondContact O-N 3.29Å; E529-D557 WeakPolarHBondContact CA-O 3.37Å; I530-D557 PolarHBondContact N-O 2.97Å
558I98Very high95.7Very high0 Ų033 Ų330%020%0.201CC..EExtended strand (participates in β ladder)trans-129128.3-171.4-46.7172.8000109L496 I500 I530 I532 L546 I549 N550 V556L496-I558 HydrophobicContact CD1-CD1 4.38Å; L496-I558 HydrophobicContact CD2-CD1 4.14Å; L496-I558 HydrophobicContact CD2-CG2 4.36Å; I500-I558 HydrophobicContact CD1-CD1 4.06Å; I530-I558 HydrophobicContact CB-CG1 4.25Å; I530-I558 HydrophobicContact CB-CG2 4.14Å; I530-I558 HydrophobicContact CD1-CG1 4.31Å; I530-I558 HydrophobicContact CG2-CG2 4.25Å; I530-I558 CarbonylContact O-C 3.59Å; I530-I558 VanDerWaalsContact O-CA 3.27Å; I530-I558 WeakPolarHBondContact O-CA 3.49Å; I532-I558 HydrophobicContact CD1-CG2 3.79Å; I532-I558 HydrophobicContact CG1-CG2 4.18Å; L546-I558 HydrophobicContact CD1-CB 4.16Å; L546-I558 HydrophobicContact CD1-CG2 3.43Å; L546-I558 VanDerWaalsContact CD1-CG2 3.43Å; L546-I558 HydrophobicContact CD2-CB 4.36Å; L546-I558 HydrophobicContact CD2-CG2 4.49Å; L546-I558 HydrophobicContact CG-CB 4.21Å; L546-I558 HydrophobicContact CG-CG2 4.01Å; I549-I558 HydrophobicContact CB-CD1 4.37Å; I549-I558 HydrophobicContact CG2-CD1 3.62Å; N550-I558 PolarHBondContact ND2-O 3.21Å; N550-I558 WeakPolarHBondContact OD1-CB 3.39Å; N550-I558 WeakPolarHBondContact OD1-CG1 3.43Å; N550-I558 PolarHBondContact OD1-N 3.28Å; V556-I558 HydrophobicContact CG1-CD1 4.16Å; V556-I558 HydrophobicContact CG1-CG1 3.83Å
559V98.4Very high95.7Very high0 Ų031.5 Ų31.50%019%0.193CC..EExtended strand (participates in β ladder)trans-111.8132171.6178.30000108.7M1 I3 F136 I530 I531 I532M1-V559 HydrophobicContact CB-CG2 3.86Å; M1-V559 HydrophobicContact CE-CG2 4.27Å; I3-V559 HydrophobicContact CD1-CG1 3.77Å; I3-V559 HydrophobicContact CG2-CG1 4.01Å; I3-V559 HydrophobicContact CG2-CG2 4.36Å; F136-V559 HydrophobicContact CD1-CG1 3.79Å; F136-V559 HydrophobicContact CE1-CG1 3.82Å; I530-V559 PolarHBondContact O-N 2.87Å; I531-V559 CarbonylContact C-O 3.48Å; I531-V559 WeakPolarHBondContact CA-O 3.24Å; I532-V559 PolarHBondContact N-O 3.43Å
560L98.7Very high95.8Very high0 Ų032.7 Ų32.70%020%0.201CC..EExtended strand (participates in β ladder)trans-107.4138.3175.5-172.756000110.3F134 L135 F136 L492 I532 F534 V538 E542 V543 L546F134-L560 PolarHBondContact O-N 3.45Å; L135-L560 CarbonylContact C-O 3.57Å; L135-L560 VanDerWaalsContact CA-O 3.26Å; L135-L560 WeakPolarHBondContact CA-O 3.39Å; L135-L560 HydrophobicContact CD1-CB 4.49Å; F136-L560 WeakPolarHBondContact CD1-O 3.29Å; F136-L560 PolarHBondContact N-O 2.88Å; L492-L560 HydrophobicContact CD2-CD1 4.27Å; L492-L560 HydrophobicContact CD2-CD2 4.29Å; I532-L560 HydrophobicContact CB-CD1 3.77Å; I532-L560 HydrophobicContact CG2-CD1 3.79Å; F534-L560 HydrophobicContact CD2-CD1 4.11Å; F534-L560 HydrophobicContact CE2-CD1 4.32Å; V538-L560 HydrophobicContact CB-CD2 4.27Å; V538-L560 HydrophobicContact CB-CG 4.5Å; V538-L560 HydrophobicContact CG1-CD1 3.9Å; V538-L560 HydrophobicContact CG1-CD2 4.14Å; V538-L560 HydrophobicContact CG1-CG 3.92Å; E542-L560 HydrophobicContact CB-CD2 4.24Å; V543-L560 HydrophobicContact CG2-CD2 3.94Å; L546-L560 HydrophobicContact CD1-CB 3.67Å; L546-L560 HydrophobicContact CD1-CD1 4.47Å; L546-L560 HydrophobicContact CD1-CD2 4.24Å; L546-L560 HydrophobicContact CD1-CG 4.34Å
561G98.6Very high95.9Very high0 Ų031.2 Ų31.20%019%0.193CC..EExtended strand (participates in β ladder)trans-145.2173.9161.300000112.9F136 I532 F533 F534 V538F136-G561 WeakPolarHBondContact O-CA 3.35Å; I532-G561 PolarHBondContact O-N 3.07Å; F533-G561 CarbonylContact C-O 3.51Å; F533-G561 VanDerWaalsContact CA-O 3.25Å; F533-G561 WeakPolarHBondContact CA-O 3.36Å; F534-G561 PolarHBondContact N-O 2.96Å; V538-G561 WeakPolarHBondContact CG1-O 3.38Å
562G98.3Very high96.1Very high0 Ų028.2 Ų28.20%017%0.171CC..EExtended strand (participates in β ladder)trans-159.8178.2175.700000111.3F136 E137 L138 F533 F534 C564F136-G562 PolarHBondContact O-N 2.96Å; E137-G562 WeakPolarHBondContact CA-O 3.33Å; L138-G562 PolarHBondContact N-O 3.4Å; F533-G562 VanDerWaalsContact CE2-C 3.43Å; F534-G562 WeakPolarHBondContact O-CA 3.49Å; G562-C564 PolarHBondContact O-N 3.14Å
563T98Very high96.1Very high0 Ų027.8 Ų27.80%016%0.159CC..SBendtrans-60.2-36.1174.350.90000111.7L138 D139 I140 S143 V154 F533 F534 G536 G537L138-T563 CarbonylContact C-O 3.54Å; L138-T563 PolarHBondContact N-O 3.17Å; D139-T563 PolarHBondContact N-O 3.36Å; D139-T563 VanDerWaalsContact N-O 3.1Å; I140-T563 PolarHBondContact N-O 3.21Å; I140-T563 CarbonylContact O-C 3.52Å; I140-T563 WeakPolarHBondContact O-CB 3.39Å; S143-T563 WeakPolarHBondContact OG-CB 3.32Å; S143-T563 WeakPolarHBondContact OG-CG2 3.46Å; S143-T563 PolarHBondContact OG-OG1 3.21Å; V154-T563 HydrophobicContact CG1-CG2 4.39Å; F533-T563 HydrophobicContact CE1-CG2 4.15Å; F533-T563 HydrophobicContact CZ-CG2 3.91Å; F534-T563 PolarHBondContact O-N 3.14Å; F534-T563 VanDerWaalsContact O-N 3.11Å; G536-T563 WeakPolarHBondContact CA-OG1 3.36Å; G536-T563 PolarHBondContact N-OG1 3.42Å; G536-T563 VanDerWaalsContact N-OG1 3.15Å; G537-T563 PolarHBondContact N-OG1 2.88Å
564C97.5Very high96.1Very high6 Ų626.2 Ų26.24%0.04115%0.149CC..  trans-155.2176.616965.80000110.9E137 G537 V538 G562 H566E137-C564 WeakPolarHBondContact OE2-CA 3.36Å; G537-C564 CarbonylContact C-O 3.47Å; G537-C564 WeakPolarHBondContact CA-O 3.25Å; V538-C564 PolarHBondContact N-O 2.92Å; G562-C564 PolarHBondContact O-N 3.14Å; C564-H566 PolarHBondContact SG-CE1 3.46Å; C564-H566 PolarHBondContact SG-NE2 3.05Å; C564-H566 VanDerWaalsContact SG-NE2 3.37Å
565V98.2Very high96.3Very high11 Ų1118 Ų187%0.06711%0.106CC..BIsolated β-bridgetrans-98.8118.5162.5-170.60000110.5L131 L135 E137 H237 V538 Y540L131-V565 HydrophobicContact CD1-CG2 3.78Å; L135-V565 HydrophobicContact CD2-CG2 4.4Å; E137-V565 PolarHBondContact OE2-N 3.12Å; H237-V565 PolarHBondContact NE2-O 3.13Å; V538-V565 HydrophobicContact CG2-CG2 3.95Å; V538-V565 CarbonylContact O-C 3.51Å; V538-V565 WeakPolarHBondContact O-CA 3.29Å; Y540-V565 HydrophobicContact CD1-CG1 4.4Å; Y540-V565 HydrophobicContact CD2-CG1 3.57Å; Y540-V565 HydrophobicContact CE1-CG1 4.35Å; Y540-V565 HydrophobicContact CE2-CB 4.35Å; Y540-V565 HydrophobicContact CE2-CG1 3.5Å; Y540-V565 VanDerWaalsContact CE2-CG1 3.5Å; Y540-V565 HydrophobicContact CG-CG1 4.05Å
566H97.7Very high96.4Very high1 Ų116.6 Ų16.61%0.0059%0.087CC..PPolyproline II helixtrans-93.7141.3-179.6-78.5-52.6000113.2H237 G536 V538 C564 T570 F571H237-H566 VanDerWaalsContact NE2-C 3.29Å; G536-H566 PolarHBondContact O-CD2 3.15Å; G536-H566 PolarHBondContact O-NE2 3.24Å; V538-H566 PolarHBondContact O-N 2.78Å; C564-H566 PolarHBondContact SG-CE1 3.46Å; C564-H566 PolarHBondContact SG-NE2 3.05Å; C564-H566 VanDerWaalsContact SG-NE2 3.37Å; H566-T570 WeakPolarHBondContact CA-OG1 3.2Å; H566-T570 PolarHBondContact CE1-O 2.93Å; H566-T570 PolarHBondContact ND1-OG1 3.23Å; H566-T570 VanDerWaalsContact ND1-OG1 3.16Å; H566-F571 HydrophobicContact CB-CB 4.09Å; H566-F571 PolarHBondContact ND1-N 3.02Å
567N97.5Very high96Very high15 Ų1517 Ų178%0.089%0.09CC..PPolyproline II helixtrans-99.3173.2148.359.318.4000110H237 E238 R569 T570 F571H237-N567 PolarHBondContact NE2-N 3.4Å; H237-N567 VanDerWaalsContact NE2-N 3.16Å; H237-N567 PolarHBondContact O-ND2 3.24Å; E238-N567 VanDerWaalsContact OE2-CB 3.3Å; E238-N567 WeakPolarHBondContact OE2-CB 3.29Å; N567-R569 PolarHBondContact O-N 3.1Å; N567-R569 VanDerWaalsContact O-N 3.16Å; N567-R569 PolarHBondContact OD1-N 2.83Å; N567-T570 PolarHBondContact N-OG1 3.35Å; N567-T570 VanDerWaalsContact N-OG1 3.09Å; N567-T570 PolarHBondContact O-N 3.2Å; N567-T570 PolarHBondContact O-OG1 3.49Å; N567-T570 WeakPolarHBondContact OD1-CB 3.43Å; N567-T570 WeakPolarHBondContact OD1-CG2 3.43Å; N567-T570 PolarHBondContact OD1-N 3.07Å; N567-T570 PolarHBondContact OD1-OG1 3.42Å; N567-F571 WeakPolarHBondContact O-CB 3.5Å; N567-F571 PolarHBondContact O-N 2.87Å
568S97.3Very high95Very high10 Ų1014.7 Ų14.77%0.078%0.078CC..Hα-helixtrans-54.3-39.3-178.369.50000112.8P225 E238 L572P225-S568 WeakPolarHBondContact O-CA 3.27Å; P225-S568 WeakPolarHBondContact O-CB 3.36Å; P225-S568 PolarHBondContact O-N 3.2Å; E238-S568 WeakPolarHBondContact OE1-CB 3.4Å; E238-S568 PolarHBondContact OE1-OG 3.46Å; E238-S568 PolarHBondContact OE2-N 3.18Å; S568-L572 WeakPolarHBondContact O-CB 3.31Å; S568-L572 VanDerWaalsContact O-CG 3.3Å; S568-L572 WeakPolarHBondContact O-CG 3.4Å; S568-L572 PolarHBondContact O-N 3.24Å
569R95Very high93.4Very high62 Ų6215.7 Ų15.723%0.2348%0.084CC..Hα-helixtrans-63.9-53.2179.1178.5-179.9171.6-167.5-3.7112.7N567 F571 L572 Q573 Y607 G608N567-R569 PolarHBondContact O-N 3.1Å; N567-R569 VanDerWaalsContact O-N 3.16Å; N567-R569 PolarHBondContact OD1-N 2.83Å; R569-F571 VanDerWaalsContact C-N 3.28Å; R569-F571 PolarHBondContact O-N 3.45Å; R569-L572 PolarHBondContact O-N 2.97Å; R569-Q573 WeakPolarHBondContact O-CG 3.46Å; R569-Q573 PolarHBondContact O-N 3.01Å; R569-Y607 PolarHBondContact NH2-O 3.19Å; R569-G608 PolarHBondContact NH2-O 3.3Å
570T96Very high91.3Very high36 Ų3624 Ų2422%0.22112%0.12CC..Hα-helixtrans-68.8-31.6-17851.30000111.4H566 N567 Q573 E574H566-T570 WeakPolarHBondContact CA-OG1 3.2Å; H566-T570 PolarHBondContact CE1-O 2.93Å; H566-T570 PolarHBondContact ND1-OG1 3.23Å; H566-T570 VanDerWaalsContact ND1-OG1 3.16Å; N567-T570 PolarHBondContact N-OG1 3.35Å; N567-T570 VanDerWaalsContact N-OG1 3.09Å; N567-T570 PolarHBondContact O-N 3.2Å; N567-T570 PolarHBondContact O-OG1 3.49Å; N567-T570 WeakPolarHBondContact OD1-CB 3.43Å; N567-T570 WeakPolarHBondContact OD1-CG2 3.43Å; N567-T570 PolarHBondContact OD1-N 3.07Å; N567-T570 PolarHBondContact OD1-OG1 3.42Å; T570-Q573 WeakPolarHBondContact O-CB 3.32Å; T570-Q573 PolarHBondContact O-N 3Å; T570-E574 PolarHBondContact O-N 3.27Å; T570-E574 VanDerWaalsContact O-N 3.14Å
571F97.2Very high88.5Confident0 Ų027.7 Ų27.70%015%0.146CC..Hα-helixtrans-62.7-47.5170.8173.6-114.2000111.7R218 T222 P225 L226 L426 Y429 H566 N567 R569 Q573 E574 V575R218-F571 HydrophobicContact CG-CD2 4.23Å; R218-F571 HydrophobicContact CG-CE2 3.72Å; T222-F571 HydrophobicContact CG2-CZ 3.89Å; P225-F571 HydrophobicContact CB-CB 3.85Å; P225-F571 HydrophobicContact CB-CD1 3.65Å; P225-F571 HydrophobicContact CB-CD2 4.14Å; P225-F571 HydrophobicContact CB-CE1 4.24Å; P225-F571 HydrophobicContact CB-CG 3.59Å; P225-F571 HydrophobicContact CG-CD1 4.19Å; P225-F571 HydrophobicContact CG-CD2 4.1Å; P225-F571 HydrophobicContact CG-CE1 4.36Å; P225-F571 HydrophobicContact CG-CE2 4.3Å; P225-F571 HydrophobicContact CG-CG 4.05Å; P225-F571 HydrophobicContact CG-CZ 4.43Å; L226-F571 HydrophobicContact CD1-CE1 4.4Å; L226-F571 HydrophobicContact CD2-CD1 3.81Å; L226-F571 HydrophobicContact CD2-CE1 4.03Å; L226-F571 HydrophobicContact CG-CD1 4.15Å; L226-F571 HydrophobicContact CG-CE1 4Å; L426-F571 HydrophobicContact CD1-CE1 4.03Å; L426-F571 HydrophobicContact CD1-CZ 4.18Å; Y429-F571 HydrophobicContact CD1-CZ 4.38Å; Y429-F571 AromaticContact CE1-CE2 3.76Å; Y429-F571 HydrophobicContact CE1-CE2 3.76Å; Y429-F571 AromaticContact CE1-CZ 3.96Å; Y429-F571 HydrophobicContact CE1-CZ 3.96Å; H566-F571 HydrophobicContact CB-CB 4.09Å; H566-F571 PolarHBondContact ND1-N 3.02Å; N567-F571 WeakPolarHBondContact O-CB 3.5Å; N567-F571 PolarHBondContact O-N 2.87Å; R569-F571 VanDerWaalsContact C-N 3.28Å; R569-F571 PolarHBondContact O-N 3.45Å; F571-Q573 PolarHBondContact O-N 3.24Å; F571-E574 WeakPolarHBondContact O-CB 3.26Å; F571-E574 PolarHBondContact O-N 2.83Å; F571-E574 VanDerWaalsContact O-N 3.09Å; F571-V575 HydrophobicContact CD1-CG2 4.45Å; F571-V575 HydrophobicContact CD2-CG2 4.4Å; F571-V575 HydrophobicContact CE1-CG2 4Å; F571-V575 HydrophobicContact CE2-CG2 3.91Å; F571-V575 HydrophobicContact CZ-CG2 3.69Å; F571-V575 WeakPolarHBondContact O-CG2 3.44Å; F571-V575 PolarHBondContact O-N 3.4Å
572L96.3Very high85.5Confident24 Ų2434.3 Ų34.313%0.12619%0.186CC..Hα-helixtrans-65.3-28.8177-70.8176.9000113L226 L390 T422 S568 R569 V575 C576L226-L572 HydrophobicContact CD2-CD1 4.22Å; L226-L572 HydrophobicContact CD2-CD2 3.82Å; L226-L572 HydrophobicContact CD2-CG 3.96Å; L390-L572 HydrophobicContact CD1-CD1 3.88Å; L390-L572 HydrophobicContact CD1-CD2 3.75Å; L390-L572 HydrophobicContact CD1-CG 4.48Å; T422-L572 HydrophobicContact CG2-CD2 3.96Å; S568-L572 WeakPolarHBondContact O-CB 3.31Å; S568-L572 VanDerWaalsContact O-CG 3.3Å; S568-L572 WeakPolarHBondContact O-CG 3.4Å; S568-L572 PolarHBondContact O-N 3.24Å; R569-L572 PolarHBondContact O-N 2.97Å; L572-V575 PolarHBondContact O-N 3.33Å; L572-C576 WeakPolarHBondContact O-CB 3.38Å; L572-C576 PolarHBondContact O-N 2.87Å; L572-C576 PolarHBondContact O-SG 3.27Å
573Q94Very high82.3Confident81 Ų8137.4 Ų37.438%0.37922%0.219SC..Hα-helixtrans-65-40.3171-72.3174.5-25.900112.3R569 T570 F571 S577R569-Q573 WeakPolarHBondContact O-CG 3.46Å; R569-Q573 PolarHBondContact O-N 3.01Å; T570-Q573 WeakPolarHBondContact O-CB 3.32Å; T570-Q573 PolarHBondContact O-N 3Å; F571-Q573 PolarHBondContact O-N 3.24Å; Q573-S577 WeakPolarHBondContact O-CB 3.41Å; Q573-S577 PolarHBondContact O-N 3.02Å; Q573-S577 VanDerWaalsContact O-N 3.12Å
574E93Very high79.1Confident0 Ų045.2 Ų45.20%026%0.259CS..Hα-helixtrans-61.2-51.5172.2168.766.4156.200110.5I142 S143 L144 Y429 T570 F571 C576 S577I142-E574 WeakPolarHBondContact CA-OE2 3.09Å; I142-E574 WeakPolarHBondContact CB-OE2 3.41Å; I142-E574 WeakPolarHBondContact CG2-OE2 3.15Å; S143-E574 WeakPolarHBondContact CB-OE1 3.49Å; S143-E574 PolarHBondContact N-OE1 3.21Å; S143-E574 PolarHBondContact N-OE2 3.29Å; L144-E574 PolarHBondContact N-OE1 3.46Å; Y429-E574 HydrophobicContact CE2-CG 4.3Å; T570-E574 PolarHBondContact O-N 3.27Å; T570-E574 VanDerWaalsContact O-N 3.14Å; F571-E574 WeakPolarHBondContact O-CB 3.26Å; F571-E574 PolarHBondContact O-N 2.83Å; F571-E574 VanDerWaalsContact O-N 3.09Å; E574-C576 VanDerWaalsContact C-N 3.32Å; E574-C576 PolarHBondContact O-N 3.1Å; E574-S577 WeakPolarHBondContact O-CB 3.2Å; E574-S577 PolarHBondContact O-N 3.12Å; E574-S577 PolarHBondContact O-OG 3.12Å; E574-S577 PolarHBondContact OE2-OG 2.9Å
575V92.9Very high75.9Confident0 Ų049.1 Ų49.10%029%0.291CS..Hα-helixtrans-54.7-46.4179.2172.10000111.7N425 L426 Y429 F571 L572 S577N425-V575 HydrophobicContact CB-CG1 3.93Å; L426-V575 HydrophobicContact CB-CG1 4.05Å; L426-V575 HydrophobicContact CD1-CG1 4.24Å; L426-V575 HydrophobicContact CD1-CG2 4.05Å; Y429-V575 HydrophobicContact CD1-CG2 3.81Å; Y429-V575 HydrophobicContact CD2-CG2 4.31Å; Y429-V575 HydrophobicContact CE1-CG2 4.07Å; Y429-V575 HydrophobicContact CG-CG1 4.42Å; Y429-V575 HydrophobicContact CG-CG2 3.94Å; F571-V575 HydrophobicContact CD1-CG2 4.45Å; F571-V575 HydrophobicContact CD2-CG2 4.4Å; F571-V575 HydrophobicContact CE1-CG2 4Å; F571-V575 HydrophobicContact CE2-CG2 3.91Å; F571-V575 HydrophobicContact CZ-CG2 3.69Å; F571-V575 WeakPolarHBondContact O-CG2 3.44Å; F571-V575 PolarHBondContact O-N 3.4Å; L572-V575 PolarHBondContact O-N 3.33Å; V575-S577 VanDerWaalsContact C-N 3.29Å; V575-S577 PolarHBondContact O-N 3.24Å
576C91.7Very high72.5Confident30 Ų3058.2 Ų58.220%0.20333%0.33CS..Hα-helixtrans-78.4-8.1-178.9-71.20000114.5T422 N425 L572 E574 I578T422-C576 PolarHBondContact OG1-SG 3.29Å; N425-C576 PolarHBondContact ND2-SG 3.31Å; L572-C576 WeakPolarHBondContact O-CB 3.38Å; L572-C576 PolarHBondContact O-N 2.87Å; L572-C576 PolarHBondContact O-SG 3.27Å; E574-C576 VanDerWaalsContact C-N 3.32Å; E574-C576 PolarHBondContact O-N 3.1Å; C576-I578 VanDerWaalsContact C-N 3.29Å
577S86.1Confident69.3Low27 Ų2763.6 Ų63.619%0.18937%0.368CS..Hα-helixtrans-76.9-19.2176.378.70000113I142 Q573 E574 V575I142-S577 WeakPolarHBondContact CG2-OG 3.38Å; Q573-S577 WeakPolarHBondContact O-CB 3.41Å; Q573-S577 PolarHBondContact O-N 3.02Å; Q573-S577 VanDerWaalsContact O-N 3.12Å; E574-S577 WeakPolarHBondContact O-CB 3.2Å; E574-S577 PolarHBondContact O-N 3.12Å; E574-S577 PolarHBondContact O-OG 3.12Å; E574-S577 PolarHBondContact OE2-OG 2.9Å; V575-S577 VanDerWaalsContact C-N 3.29Å; V575-S577 PolarHBondContact O-N 3.24Å
578I75.4Confident65.9Low5 Ų567.9 Ų67.93%0.02640%0.399CS..SBendtrans-86.8-17.2-169.2-68.2160.9000112.7L144 E146 R148 Y429 C576L144-I578 HydrophobicContact CB-CD1 3.93Å; L144-I578 HydrophobicContact CB-CG1 4.19Å; L144-I578 HydrophobicContact CD1-CD1 4.11Å; E146-I578 WeakPolarHBondContact CA-O 3.42Å; E146-I578 WeakPolarHBondContact CB-O 3.37Å; R148-I578 HydrophobicContact CG-CG2 3.7Å; Y429-I578 HydrophobicContact CD2-CD1 3.32Å; Y429-I578 HydrophobicContact CE2-CD1 3.44Å; Y429-I578 VanDerWaalsContact CE2-CD1 3.44Å; C576-I578 VanDerWaalsContact C-N 3.29Å
579T64.7Low62.6Low21 Ų2174.7 Ų74.713%0.12944%0.435CS..  trans-115.69-169.156.10000115.6N425 S581N425-T579 HydrophobicContact CB-CG2 4.21Å; N425-T579 PolarHBondContact ND2-OG1 2.86Å; N425-T579 VanDerWaalsContact ND2-OG1 3.1Å; N425-T579 WeakPolarHBondContact OD1-CB 3.35Å; N425-T579 VanDerWaalsContact OD1-CG2 3.25Å; N425-T579 WeakPolarHBondContact OD1-CG2 3.41Å; N425-T579 PolarHBondContact OD1-OG1 3.17Å; T579-S581 PolarHBondContact O-N 3.44Å
580K54.1Low59.3Low175 Ų17577.5 Ų77.576%0.76146%0.464SS*.THydrogen-bonded Turntrans-66.24.5-172.5-77.9-170.4177.4-179.70116.5
581S39.2Very low56Low78 Ų7882.2 Ų82.255%0.54549%0.492SS..THydrogen-bonded Turntrans-103.7-1.7-179.440.80000117.2E146 T579 G583E146-S581 WeakPolarHBondContact OE2-CB 3.49Å; E146-S581 PolarHBondContact OE2-OG 3.35Å; T579-S581 PolarHBondContact O-N 3.44Å; S581-G583 PolarHBondContact O-N 2.94Å
582V35.4Very low52.6Low138 Ų13890.7 Ų90.784%0.83653%0.532SS*.SBendtrans-88.892.9175.7-169.50000110.8
583G31.2Very low49.3Very low66 Ų6695.5 Ų95.568%0.6856%0.564SS**SBendtrans134.16.6147.800000121.7S581 A585S581-G583 PolarHBondContact O-N 2.94Å; G583-A585 VanDerWaalsContact C-N 3.34Å; G583-A585 PolarHBondContact O-N 3.12Å
584I31Very low46Very low164 Ų16498 Ų9884%0.84159%0.585SS**  trans-93.273168.8-48.9179.4000109.5K586I584-K586 PolarHBondContact O-N 2.98Å; I584-K586 VanDerWaalsContact O-N 3.12Å
585A30.7Very low42.6Very low88 Ų88109.5 Ų109.573%0.72763%0.629SS**  trans-61.2112.8156.600000106.8G583 S587G583-A585 VanDerWaalsContact C-N 3.34Å; G583-A585 PolarHBondContact O-N 3.12Å; A585-S587 PolarHBondContact O-N 3.29Å
586K27.2Very low39.3Very low201 Ų201121.1 Ų121.187%0.87467%0.672SS**  trans-59.585.4174.1-71.3178.3177176.60109.1I584 S588I584-K586 PolarHBondContact O-N 2.98Å; I584-K586 VanDerWaalsContact O-N 3.12Å; K586-S588 PolarHBondContact O-N 3.1Å; K586-S588 VanDerWaalsContact O-N 3.15Å
587S29.5Very low36Very low115 Ų115126.6 Ų126.680%0.80470%0.699SS**  trans-7894.7164.150.90000107.4A585 N589A585-S587 PolarHBondContact O-N 3.29Å; S587-N589 PolarHBondContact O-N 2.96Å
588S25.9Very low32.9Very low105 Ų105135.8 Ų135.873%0.73473%0.731SS**  trans-59.8103.9163.8520000108.6K586K586-S588 PolarHBondContact O-N 3.1Å; K586-S588 VanDerWaalsContact O-N 3.15Å
589N28.8Very low30.5Very low153 Ų153138.8 Ų138.882%0.81876%0.763SS**  trans-151.8102.9151.1-93.1-24.7000108.4S587 V591S587-N589 PolarHBondContact O-N 2.96Å; N589-V591 PolarHBondContact O-N 3.48Å
590S24.7Very low28.5Very low121 Ų121145.4 Ų145.485%0.84680%0.798SS**  trans-58.3113.4170.7480000110.4
591V28.2Very low27.2Very low135 Ų135142.5 Ų142.582%0.81880%0.799SS**  trans-131.6120.4159.8-177.50000107.4N589N589-V591 PolarHBondContact O-N 3.48Å
592E24.8Very low26.6Very low177 Ų177150.1 Ų150.183%0.82782%0.816SS**  trans-57.8141.7-176.5-80.4178.1131.200113T594E592-T594 PolarHBondContact O-N 3.11Å; E592-T594 VanDerWaalsContact O-N 3.17Å
593P27.3Very low26.2Very low125 Ų125148 Ų14881%0.81281%0.808SS**  trans-78.5105.2-176.230.7-31.5000110.8R595P593-R595 PolarHBondContact O-N 3.28Å
594T24.6Very low26Very low133 Ų133149.6 Ų149.682%0.81680%0.8SS**  trans-69.311516727.40000109.9E592 R596E592-T594 PolarHBondContact O-N 3.11Å; E592-T594 VanDerWaalsContact O-N 3.17Å; T594-R596 PolarHBondContact O-N 3.05Å; T594-R596 VanDerWaalsContact O-N 3.11Å
595R22Very low26.1Very low243 Ų243144.3 Ų144.392%0.91777%0.774SS**  trans-47111.5170.8-84.8175.6166.1170.6-4.3111P593P593-R595 PolarHBondContact O-N 3.28Å
596R23.3Very low25.9Very low243 Ų243147.2 Ų147.292%0.91778%0.776SS**  trans-118.6115156.9-78.2-171178-176.60.8109.4T594T594-R596 PolarHBondContact O-N 3.05Å; T594-R596 VanDerWaalsContact O-N 3.11Å
597L21.5Very low26.3Very low145 Ų145142.7 Ų142.776%0.75975%0.754SS**  trans-75.6154.7173-72.4154.3000110.1
598Y21.4Very low26.2Very low221 Ų221139 Ų13987%0.86774%0.735SS**  trans86.8101.4166.4-62.6-79000118.6
599G24.4Very low26.2Very low67 Ų67140 Ų14069%0.69173%0.731SS**  86.677.2115.300000117
600N23.9Very low25.9Very low161 Ų161141 Ų14186%0.86174%0.735SS**  trans-168.5112.1133.3-95-19.5000107.6R602N600-R602 PolarHBondContact O-N 3.48Å
601S26.3Very low26.1Very low114 Ų114148.2 Ų148.280%0.79776%0.756SS**  trans-53.6100.5172.6170.40000108.9S603S601-S603 VanDerWaalsContact C-N 3.26Å; S601-S603 PolarHBondContact O-N 3.39Å
602R25.7Very low26Very low237 Ų237148.9 Ų148.989%0.89475%0.753SS**  trans-68.490.4167.6-75.5-177.3175.3-179.6-3106.8N600 N604N600-R602 PolarHBondContact O-N 3.48Å; R602-N604 VanDerWaalsContact C-N 3.25Å; R602-N604 PolarHBondContact O-N 2.94Å
603S26.9Very low26Very low94 Ų94147.4 Ų147.466%0.65775%0.749SS**  trans-7189.9166.438.60000107.3S601 I605S601-S603 VanDerWaalsContact C-N 3.26Å; S601-S603 PolarHBondContact O-N 3.39Å; S603-I605 PolarHBondContact O-N 3.07Å
604N27.2Very low25.9Very low99 Ų99148.7 Ų148.753%0.52975%0.745SS.*  trans-49.4138.3144-75.9-11.1000105.8R602 L606R602-N604 VanDerWaalsContact C-N 3.25Å; R602-N604 PolarHBondContact O-N 2.94Å; N604-L606 HydrophobicContact CB-CG 4.45Å; N604-L606 PolarHBondContact O-N 3.29Å
605I34.4Very low26Very low54 Ų54149.6 Ų149.628%0.27774%0.741SS.*  trans-60.888.4163.6-60.7179.4000104.9L382 S603 Y607L382-I605 HydrophobicContact CB-CD1 4.46Å; L382-I605 HydrophobicContact CD2-CD1 3.99Å; L382-I605 HydrophobicContact CG-CD1 4.22Å; S603-I605 PolarHBondContact O-N 3.07Å; I605-Y607 VanDerWaalsContact C-N 3.28Å; I605-Y607 HydrophobicContact CB-CE2 4.11Å; I605-Y607 HydrophobicContact CG2-CD1 4.13Å; I605-Y607 HydrophobicContact CG2-CD2 4.34Å; I605-Y607 HydrophobicContact CG2-CE1 3.74Å; I605-Y607 HydrophobicContact CG2-CE2 3.95Å; I605-Y607 HydrophobicContact CG2-CG 4.42Å; I605-Y607 WeakPolarHBondContact O-CD2 3.41Å; I605-Y607 VanDerWaalsContact O-CE2 3.32Å; I605-Y607 WeakPolarHBondContact O-CE2 3.34Å; I605-Y607 PolarHBondContact O-N 2.97Å
606L25.5Very low26.3Very low149 Ų149143.8 Ų143.878%0.7873%0.73SS**  trans-7196.7177.7-86.5159.1000103.9N604 G608N604-L606 HydrophobicContact CB-CG 4.45Å; N604-L606 PolarHBondContact O-N 3.29Å; L606-G608 PolarHBondContact O-N 3.15Å
607Y36.2Very low26.5Very low105 Ų105137.1 Ų137.141%0.41272%0.718SS.*  trans-6565.9170.9-62.1-81.5000108.7D419 R569 I605 L609D419-Y607 PolarHBondContact OD1-OH 2.75Å; R569-Y607 PolarHBondContact NH2-O 3.19Å; I605-Y607 VanDerWaalsContact C-N 3.28Å; I605-Y607 HydrophobicContact CB-CE2 4.11Å; I605-Y607 HydrophobicContact CG2-CD1 4.13Å; I605-Y607 HydrophobicContact CG2-CD2 4.34Å; I605-Y607 HydrophobicContact CG2-CE1 3.74Å; I605-Y607 HydrophobicContact CG2-CE2 3.95Å; I605-Y607 HydrophobicContact CG2-CG 4.42Å; I605-Y607 WeakPolarHBondContact O-CD2 3.41Å; I605-Y607 VanDerWaalsContact O-CE2 3.32Å; I605-Y607 WeakPolarHBondContact O-CE2 3.34Å; I605-Y607 PolarHBondContact O-N 2.97Å; Y607-L609 PolarHBondContact O-N 3.17Å; Y607-L609 VanDerWaalsContact O-N 3.15Å
608G26.9Very low26.8Very low39 Ų39136.6 Ų136.640%0.40272%0.715SS.*  trans-68.3109.4-170.800000111.7R251 R569 L606R251-G608 PolarHBondContact NH2-O 3.07Å; R569-G608 PolarHBondContact NH2-O 3.3Å; L606-G608 PolarHBondContact O-N 3.15Å
609L27Very low27.3Very low126 Ų126130.1 Ų130.166%0.6670%0.703SS**  trans-161.480.8156-91.5172.7000105.6Y607Y607-L609 PolarHBondContact O-N 3.17Å; Y607-L609 VanDerWaalsContact O-N 3.15Å
610L22.2Very low27.5Very low172 Ų172135.3 Ų135.390%0.90170%0.704SS**  trans-138.7123.8156.7-85.7174.4000107
611Q27.8Very low27.8Very low274 Ų274133 Ų133100%1.2869%0.69SS**  trans80.30-176-61.5-175-9.900116.3

Retrieved 611 of 611 residues in 125.1 ms (Link to these results)

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