PTPB_STAA8 Loading...

Low molecular weight protein-tyrosine-phosphatase PtpB

Dephosphorylates the phosphotyrosine-containing proteins.

AlphaFold DB , UniProt , Accession Q2FWE3, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene ptpB, Length 139 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
1M95.5Very high98.2Very high94 Ų9423.8 Ų23.846%0.46314%0.137SC..  0132.60-166.3-176.2-66.300108.4I3 Q29 D73 I74M1-I3 HydrophobicContact CG-CG1 4.19Å; M1-I3 HydrophobicContact SD-CD1 4.08Å; M1-I3 HydrophobicContact SD-CG1 4.19Å; M1-Q29 PolarHBondContact O-N 2.89Å; M1-D73 VanDerWaalsContact C-OD2 3.32Å; M1-D73 WeakPolarHBondContact CA-OD2 3.29Å; M1-D73 HydrophobicContact CG-CB 3.46Å; M1-D73 VanDerWaalsContact CG-CB 3.46Å; M1-D73 WeakPolarHBondContact CG-OD2 3.34Å; M1-D73 HydrophobicContact SD-CB 4.48Å; M1-I74 HydrophobicContact SD-CD1 3.45Å; M1-I74 WeakPolarHBondContact SD-CD1 3.17Å; M1-I74 HydrophobicContact SD-CG1 4.09Å
2K98.2Very high98.2Very high53 Ų5322.3 Ų22.323%0.2313%0.129CC..EExtended strand (participates in β ladder)trans-98.7121174175.5171.4172.1155.10109.4Q29 E31 A72 D73 I74K2-Q29 CarbonylContact C-O 3.58Å; K2-Q29 WeakPolarHBondContact CA-O 3.42Å; K2-Q29 HydrophobicContact CB-CB 4.44Å; K2-E31 WeakPolarHBondContact CE-OE1 3.45Å; K2-E31 WeakPolarHBondContact CE-OE2 3.1Å; K2-E31 IonicContact NZ-OE1 3.43Å; K2-E31 PolarHBondContact NZ-OE1 3.37Å; K2-E31 IonicContact NZ-OE2 2.93Å; K2-E31 PolarHBondContact NZ-OE2 3.04Å; K2-A72 HydrophobicContact CG-CB 4.19Å; K2-D73 PolarHBondContact N-OD2 3.21Å; K2-D73 WeakPolarHBondContact O-CB 3.15Å; K2-D73 PolarHBondContact O-N 3.11Å; K2-I74 PolarHBondContact O-N 3.41Å
3I98.7Very high98.2Very high0 Ų021.5 Ų21.50%012%0.122CC..EExtended strand (participates in β ladder)trans-120.3133-177.6-59.5170.1000108.6M1 F5 Q29 F30 E31 I74 L76 I138M1-I3 HydrophobicContact CG-CG1 4.19Å; M1-I3 HydrophobicContact SD-CD1 4.08Å; M1-I3 HydrophobicContact SD-CG1 4.19Å; I3-F5 HydrophobicContact CG2-CZ 4.45Å; I3-Q29 PolarHBondContact N-O 3.3Å; I3-F30 HydrophobicContact CB-CD1 3.74Å; I3-F30 HydrophobicContact CB-CE1 3.78Å; I3-F30 HydrophobicContact CD1-CD1 4.44Å; I3-F30 HydrophobicContact CD1-CE1 3.61Å; I3-F30 HydrophobicContact CD1-CZ 4.16Å; I3-F30 HydrophobicContact CG1-CE1 4.22Å; I3-F30 HydrophobicContact CG2-CD1 4.06Å; I3-F30 HydrophobicContact CG2-CE1 4.06Å; I3-F30 WeakPolarHBondContact O-CA 3.45Å; I3-E31 PolarHBondContact O-N 3.3Å; I3-E31 VanDerWaalsContact O-N 3.13Å; I3-I74 WeakPolarHBondContact CA-O 3.4Å; I3-I74 HydrophobicContact CD1-CD1 4.43Å; I3-I74 HydrophobicContact CG1-CB 4.33Å; I3-I74 HydrophobicContact CG1-CD1 4.33Å; I3-L76 HydrophobicContact CG2-CD1 3.74Å; I3-L76 HydrophobicContact CG2-CG 4.26Å; I3-I138 HydrophobicContact CD1-CD1 3.31Å
4L98.7Very high98.3Very high0 Ų019.9 Ų19.90%011%0.114CC..EExtended strand (participates in β ladder)trans-118.1122.8-175.8-166.578.2000111V6 E31 R33 F65 D69 A72 I74 I75 L76L4-V6 HydrophobicContact CD2-CG2 3.98Å; L4-V6 HydrophobicContact CG-CG2 4.25Å; L4-E31 WeakPolarHBondContact CA-O 3.29Å; L4-E31 HydrophobicContact CD1-CB 3.54Å; L4-R33 HydrophobicContact CD1-CG 3.86Å; L4-R33 HydrophobicContact CD2-CB 4.48Å; L4-R33 HydrophobicContact CD2-CG 3.97Å; L4-R33 HydrophobicContact CG-CG 4.2Å; L4-F65 HydrophobicContact CD2-CD2 3.81Å; L4-F65 HydrophobicContact CD2-CE2 3.57Å; L4-D69 HydrophobicContact CD2-CB 3.7Å; L4-A72 HydrophobicContact CB-CB 4.05Å; L4-I74 PolarHBondContact N-O 2.87Å; L4-I75 HydrophobicContact CB-CG1 4.23Å; L4-I75 HydrophobicContact CD2-CG1 4.27Å; L4-I75 HydrophobicContact CD2-CG2 4.47Å; L4-I75 CarbonylContact O-C 3.55Å; L4-I75 WeakPolarHBondContact O-CA 3.24Å; L4-L76 PolarHBondContact O-N 3.23Å
5F98.9Very high98.3Very high0 Ų018.6 Ų18.60%011%0.106CC..EExtended strand (participates in β ladder)trans-91.8134.6172.5-63.5-72000111.3I3 S14 A17 E18 A21 F30 E31 S32 R33 L76 M78 L99 L134I3-F5 HydrophobicContact CG2-CZ 4.45Å; F5-S14 WeakPolarHBondContact O-CB 3.31Å; F5-A17 HydrophobicContact CB-CB 4.27Å; F5-A17 HydrophobicContact CD1-CB 3.95Å; F5-A17 HydrophobicContact CD2-CB 3.98Å; F5-A17 HydrophobicContact CE1-CB 4.25Å; F5-A17 HydrophobicContact CE2-CB 4.28Å; F5-A17 HydrophobicContact CG-CB 3.8Å; F5-A17 HydrophobicContact CZ-CB 4.4Å; F5-E18 HydrophobicContact CD2-CB 4.3Å; F5-A21 HydrophobicContact CE2-CB 3.68Å; F5-A21 HydrophobicContact CZ-CB 3.95Å; F5-F30 HydrophobicContact CE2-CB 4.49Å; F5-F30 AromaticContact CE2-CD1 3.61Å; F5-F30 HydrophobicContact CE2-CD1 3.61Å; F5-F30 HydrophobicContact CE2-CE1 4.27Å; F5-F30 HydrophobicContact CE2-CG 4.36Å; F5-F30 HydrophobicContact CZ-CD1 4.15Å; F5-F30 HydrophobicContact CZ-CE1 4.37Å; F5-E31 PolarHBondContact N-O 3.18Å; F5-S32 CarbonylContact O-C 3.51Å; F5-S32 VanDerWaalsContact O-CA 3.26Å; F5-S32 WeakPolarHBondContact O-CA 3.33Å; F5-R33 PolarHBondContact O-N 2.79Å; F5-L76 CarbonylContact C-O 3.53Å; F5-L76 WeakPolarHBondContact CA-O 3.23Å; F5-L76 HydrophobicContact CD1-CB 3.88Å; F5-L76 HydrophobicContact CD1-CD1 4.37Å; F5-L76 HydrophobicContact CE1-CB 4.11Å; F5-L76 HydrophobicContact CE1-CD1 3.77Å; F5-L76 HydrophobicContact CZ-CD1 4.46Å; F5-M78 HydrophobicContact CB-CE 4.13Å; F5-M78 HydrophobicContact CD1-CE 3.86Å; F5-M78 HydrophobicContact CG-CE 4.42Å; F5-L99 HydrophobicContact CE1-CD1 4.35Å; F5-L134 HydrophobicContact CE1-CD2 4.33Å; F5-L134 HydrophobicContact CZ-CD2 4.1Å
6V98.9Very high98.3Very high0 Ų017.5 Ų17.50%010%0.1CC..EExtended strand (participates in β ladder)trans-128.8127.7-176.1-171.10000112.5L4 R33 I35 F65 I75 L76 T77 M78 I86L4-V6 HydrophobicContact CD2-CG2 3.98Å; L4-V6 HydrophobicContact CG-CG2 4.25Å; V6-R33 WeakPolarHBondContact CA-O 3.39Å; V6-R33 HydrophobicContact CG2-CB 4.46Å; V6-I35 HydrophobicContact CG1-CD1 4.36Å; V6-I35 HydrophobicContact CG1-CG1 3.73Å; V6-F65 HydrophobicContact CG1-CD2 4.34Å; V6-F65 HydrophobicContact CG2-CD2 3.8Å; V6-F65 HydrophobicContact CG2-CE2 4.08Å; V6-I75 HydrophobicContact CG2-CG2 3.71Å; V6-L76 PolarHBondContact N-O 3.39Å; V6-T77 HydrophobicContact CB-CG2 4.29Å; V6-T77 CarbonylContact O-C 3.27Å; V6-T77 WeakPolarHBondContact O-CA 3.45Å; V6-M78 WeakPolarHBondContact O-CG 3.18Å; V6-M78 PolarHBondContact O-N 3.34Å; V6-I86 HydrophobicContact CB-CD1 4.39Å; V6-I86 HydrophobicContact CG1-CD1 4.13Å; V6-I86 HydrophobicContact CG2-CD1 4.34Å
7C98.5Very high98.3Very high4 Ų416.5 Ų16.53%0.0279%0.094CC..EExtended strand (participates in β ladder)trans-130.1-161.8169.778.40000111.5N10 R13 S14 R33 G34 I35 M78 H82C7-N10 PolarHBondContact SG-N 3.49Å; C7-R13 HydrophobicContact CB-CB 4.21Å; C7-S14 PolarHBondContact SG-OG 3.46Å; C7-R33 PolarHBondContact N-O 3.44Å; C7-G34 CarbonylContact O-C 3.54Å; C7-G34 WeakPolarHBondContact O-CA 3.47Å; C7-I35 PolarHBondContact O-N 3.35Å; C7-M78 HydrophobicContact CB-CB 4.25Å; C7-M78 HydrophobicContact CB-CG 3.63Å; C7-H82 VanDerWaalsContact C-NE2 3.31Å
8T98.2Very high98.4Very high56 Ų5615.7 Ų15.734%0.3449%0.089SC..SBendtrans-71.1-64.2179.1-47.40000111.7G34 I35 F36 A37 H82T8-G34 CarbonylContact O-C 3.48Å; T8-G34 WeakPolarHBondContact O-CA 3.12Å; T8-I35 PolarHBondContact O-N 3.1Å; T8-I35 VanDerWaalsContact O-N 3.15Å; T8-F36 HydrophobicContact CG2-CB 4.44Å; T8-F36 HydrophobicContact CG2-CD2 4.09Å; T8-F36 CarbonylContact O-C 3.54Å; T8-F36 PolarHBondContact O-N 3.33Å; T8-A37 PolarHBondContact O-N 3.23Å; T8-H82 PolarHBondContact N-NE2 3.15Å; T8-H82 PolarHBondContact OG1-NE2 2.98Å
9G97.9Very high98.4Very high26 Ų2614.8 Ų14.827%0.2689%0.085SC..SBendtrans-103.7-8.6-16700000115.4T11 A37G9-T11 VanDerWaalsContact C-N 3.27Å; G9-T11 PolarHBondContact O-N 2.74Å; G9-A37 WeakPolarHBondContact O-CB 3.16Å
10N98.6Very high98.4Very high0 Ų014.4 Ų14.40%08%0.082CC..SBendtrans57.631.6-174.6-163.3-156.7000115.5C7 S14 S32 R33 A37 S62 Q63C7-N10 PolarHBondContact SG-N 3.49Å; N10-S14 PolarHBondContact ND2-OG 2.82Å; N10-S32 WeakPolarHBondContact ND2-CB 3.35Å; N10-S32 PolarHBondContact ND2-OG 3.3Å; N10-S32 PolarHBondContact OD1-O 2.97Å; N10-R33 VanDerWaalsContact CG-C 3.48Å; N10-R33 PolarHBondContact ND2-N 2.96Å; N10-A37 HydrophobicContact CB-CB 3.9Å; N10-S62 VanDerWaalsContact OD1-CA 3.27Å; N10-S62 WeakPolarHBondContact OD1-CA 3.07Å; N10-Q63 PolarHBondContact OD1-N 3.29Å; N10-Q63 PolarHBondContact OD1-O 2.98Å
11T98.1Very high98.4Very high29 Ų2913.7 Ų13.718%0.1788%0.078CC..SBendtrans-123.6-4.9-179.955.80000113.4G9 Q41 G42 V43 S44G9-T11 VanDerWaalsContact C-N 3.27Å; G9-T11 PolarHBondContact O-N 2.74Å; T11-Q41 HydrophobicContact CG2-CB 4.33Å; T11-G42 WeakPolarHBondContact CG2-O 3.44Å; T11-V43 CarbonylContact O-C 3.58Å; T11-V43 WeakPolarHBondContact O-CA 3.44Å; T11-V43 WeakPolarHBondContact O-CB 3.18Å; T11-S44 PolarHBondContact O-N 3.05Å
12C98.1Very high98.6Very high6 Ų612.1 Ų12.14%0.0417%0.068CC..SBendtrans-129.8-94-175.2-59.10000111.4P15 L16 P112 Y120C12-P15 VanDerWaalsContact O-CD 3.32Å; C12-P15 WeakPolarHBondContact O-CD 3.48Å; C12-P15 WeakPolarHBondContact O-CG 3.47Å; C12-L16 VanDerWaalsContact O-CB 3.31Å; C12-L16 WeakPolarHBondContact O-CB 3.28Å; C12-L16 PolarHBondContact O-N 3.37Å; C12-P112 HydrophobicContact CB-CG 4.26Å; C12-Y120 HydrophobicContact CB-CE1 4.1Å; C12-Y120 PolarHBondContact SG-OH 3.34Å
13R98.6Very high98.5Very high11 Ų1114.6 Ų14.64%0.0428%0.081CC..Hα-helixtrans-60.1-54.5-172.7-67.5173.3-85.31721.8114.6C7 L16 A17 M78 V109 I110 D111 T123C7-R13 HydrophobicContact CB-CB 4.21Å; R13-L16 PolarHBondContact O-N 2.83Å; R13-A17 WeakPolarHBondContact O-CB 3.36Å; R13-A17 PolarHBondContact O-N 3.07Å; R13-M78 HydrophobicContact CB-CG 3.65Å; R13-M78 HydrophobicContact CB-SD 3.8Å; R13-V109 HydrophobicContact CG-CG1 4.06Å; R13-V109 PolarHBondContact NH1-O 3.41Å; R13-I110 VanDerWaalsContact CD-O 3.31Å; R13-I110 WeakPolarHBondContact CD-O 3.45Å; R13-D111 IonicContact CZ-OD1 2.65Å; R13-D111 IonicContact CZ-OD2 3.21Å; R13-D111 IonicContact NE-OD1 3.91Å; R13-D111 PolarHBondContact NE-OD1 3.21Å; R13-D111 VanDerWaalsContact NE-OD1 3.1Å; R13-D111 IonicContact NH2-OD1 3.59Å; R13-D111 PolarHBondContact NH2-OD1 2.86Å; R13-D111 IonicContact NH2-OD2 3.57Å; R13-D111 PolarHBondContact NH2-OD2 2.92Å; R13-T123 HydrophobicContact CG-CG2 3.99Å
14S98.8Very high98.5Very high0 Ų016.5 Ų16.50%09%0.092CC..Hα-helixtrans-68-41.6-175.261.30000115.3F5 C7 N10 A17 E18 S32 R33F5-S14 WeakPolarHBondContact O-CB 3.31Å; C7-S14 PolarHBondContact SG-OG 3.46Å; N10-S14 PolarHBondContact ND2-OG 2.82Å; S14-A17 PolarHBondContact O-N 3.13Å; S14-E18 PolarHBondContact O-N 3.4Å; S14-S32 WeakPolarHBondContact O-CB 3.43Å; S14-R33 PolarHBondContact OG-O 3.16Å; S14-R33 VanDerWaalsContact OG-O 3.11Å
15P98.6Very high98.5Very high0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-69.8-32.9175.328.2-35.7000112.3C12 E18 S19 V43C12-P15 VanDerWaalsContact O-CD 3.32Å; C12-P15 WeakPolarHBondContact O-CD 3.48Å; C12-P15 WeakPolarHBondContact O-CG 3.47Å; P15-E18 WeakPolarHBondContact O-CB 3.05Å; P15-E18 PolarHBondContact O-N 2.93Å; P15-S19 PolarHBondContact O-N 3.45Å; P15-S19 PolarHBondContact O-OG 3.25Å; P15-V43 HydrophobicContact CB-CG1 3.67Å; P15-V43 HydrophobicContact CG-CG1 3.66Å
16L98.7Very high98.3Very high1 Ų121.5 Ų21.51%0.00513%0.125CC..Hα-helixtrans-64.6-43.7173.2-177.357.8000111.3C12 R13 E18 S19 I20 V47 L50 V51 L56 Y124 L127C12-L16 VanDerWaalsContact O-CB 3.31Å; C12-L16 WeakPolarHBondContact O-CB 3.28Å; C12-L16 PolarHBondContact O-N 3.37Å; R13-L16 PolarHBondContact O-N 2.83Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 PolarHBondContact O-N 3.47Å; L16-S19 PolarHBondContact O-N 3.18Å; L16-I20 HydrophobicContact CD1-CD1 4.31Å; L16-I20 HydrophobicContact CD1-CG1 4.47Å; L16-I20 HydrophobicContact CG-CD1 4.06Å; L16-I20 WeakPolarHBondContact O-CD1 3.41Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.75Å; L16-V47 HydrophobicContact CB-CG1 4.11Å; L16-V47 HydrophobicContact CD1-CG1 4.36Å; L16-L50 HydrophobicContact CD1-CB 4.46Å; L16-L50 HydrophobicContact CD2-CD1 4.2Å; L16-V51 HydrophobicContact CD1-CG2 4.2Å; L16-L56 HydrophobicContact CD1-CD1 4.11Å; L16-Y124 HydrophobicContact CD1-CD2 4.13Å; L16-Y124 HydrophobicContact CD2-CD2 4.38Å; L16-Y124 HydrophobicContact CG-CD2 4.49Å; L16-L127 HydrophobicContact CB-CD1 4.12Å; L16-L127 HydrophobicContact CD2-CD1 3.97Å; L16-L127 HydrophobicContact CG-CD1 3.99Å
17A98.9Very high98.2Very high0 Ų028.7 Ų28.70%016%0.163CC..Hα-helixtrans-59.9-41.8174.300000112.2F5 R13 S14 A21 L127 I131F5-A17 HydrophobicContact CB-CB 4.27Å; F5-A17 HydrophobicContact CD1-CB 3.95Å; F5-A17 HydrophobicContact CD2-CB 3.98Å; F5-A17 HydrophobicContact CE1-CB 4.25Å; F5-A17 HydrophobicContact CE2-CB 4.28Å; F5-A17 HydrophobicContact CG-CB 3.8Å; F5-A17 HydrophobicContact CZ-CB 4.4Å; R13-A17 WeakPolarHBondContact O-CB 3.36Å; R13-A17 PolarHBondContact O-N 3.07Å; S14-A17 PolarHBondContact O-N 3.13Å; A17-A21 VanDerWaalsContact O-CB 3.22Å; A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 3.05Å; A17-L127 HydrophobicContact CB-CD1 4.25Å; A17-L127 HydrophobicContact CB-CD2 3.93Å; A17-I131 HydrophobicContact CB-CD1 4.02Å; A17-I131 WeakPolarHBondContact O-CD1 3.38Å
18E98.8Very high98.2Very high2 Ų230.1 Ų30.11%0.00917%0.169CC..Hα-helixtrans-58.8-49.8174.1177.1-173.2-178.800111.7F5 S14 P15 L16 I20 A21 K22 F30 S32 T60F5-E18 HydrophobicContact CD2-CB 4.3Å; S14-E18 PolarHBondContact O-N 3.4Å; P15-E18 WeakPolarHBondContact O-CB 3.05Å; P15-E18 PolarHBondContact O-N 2.93Å; L16-E18 VanDerWaalsContact C-N 3.32Å; L16-E18 PolarHBondContact O-N 3.47Å; E18-I20 PolarHBondContact O-N 3.41Å; E18-A21 PolarHBondContact O-N 3.14Å; E18-K22 HydrophobicContact CG-CD 4.18Å; E18-K22 WeakPolarHBondContact O-CG 3.18Å; E18-K22 PolarHBondContact O-N 2.69Å; E18-K22 WeakPolarHBondContact OE1-CE 3.46Å; E18-K22 IonicContact OE1-NZ 2.78Å; E18-K22 PolarHBondContact OE1-NZ 2.85Å; E18-F30 HydrophobicContact CG-CB 4.19Å; E18-S32 VanDerWaalsContact OE2-CB 3.23Å; E18-S32 WeakPolarHBondContact OE2-CB 3.5Å; E18-S32 PolarHBondContact OE2-N 2.8Å; E18-S32 PolarHBondContact OE2-OG 2.66Å; E18-T60 VanDerWaalsContact OE1-CG2 3.31Å; E18-T60 WeakPolarHBondContact OE1-CG2 3.45Å; E18-T60 PolarHBondContact OE1-OG1 3.05Å; E18-T60 PolarHBondContact OE2-OG1 2.95Å
19S98.7Very high98.2Very high0 Ų033.6 Ų33.60%018%0.181CC..Hα-helixtrans-59.2-45.7179.1-74.70000112.6P15 L16 E23 A57 T59P15-S19 PolarHBondContact O-N 3.45Å; P15-S19 PolarHBondContact O-OG 3.25Å; L16-S19 PolarHBondContact O-N 3.18Å; S19-E23 PolarHBondContact O-N 3.05Å; S19-A57 WeakPolarHBondContact CB-O 3.41Å; S19-A57 PolarHBondContact OG-O 3.4Å; S19-T59 WeakPolarHBondContact OG-CG2 3.49Å
20I98.8Very high98.2Very high5 Ų532.7 Ų32.73%0.02617%0.17CC..Hα-helixtrans-62.4-48.3176.5-61.9161.1000110.3L16 E18 K22 E23 V24 L56 Y124 L127 V128 I131L16-I20 HydrophobicContact CD1-CD1 4.31Å; L16-I20 HydrophobicContact CD1-CG1 4.47Å; L16-I20 HydrophobicContact CG-CD1 4.06Å; L16-I20 WeakPolarHBondContact O-CD1 3.41Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.75Å; E18-I20 PolarHBondContact O-N 3.41Å; I20-K22 PolarHBondContact O-N 2.87Å; I20-E23 PolarHBondContact O-N 2.81Å; I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 2.97Å; I20-V24 VanDerWaalsContact O-N 3.08Å; I20-L56 HydrophobicContact CG1-CD1 3.76Å; I20-L56 HydrophobicContact CG1-CD2 4.48Å; I20-Y124 HydrophobicContact CD1-CD2 3.81Å; I20-Y124 HydrophobicContact CD1-CE2 3.93Å; I20-Y124 HydrophobicContact CG1-CD2 4.31Å; I20-Y124 HydrophobicContact CG1-CE2 4Å; I20-L127 HydrophobicContact CD1-CB 3.73Å; I20-V128 HydrophobicContact CD1-CG2 3.97Å; I20-V128 HydrophobicContact CG1-CG2 4.38Å; I20-V128 HydrophobicContact CG2-CG2 4.16Å; I20-I131 HydrophobicContact CB-CD1 3.66Å; I20-I131 HydrophobicContact CD1-CD1 4.09Å; I20-I131 HydrophobicContact CG1-CD1 4.5Å; I20-I131 HydrophobicContact CG2-CB 4.22Å; I20-I131 HydrophobicContact CG2-CD1 3.7Å; I20-I131 HydrophobicContact CG2-CG2 4.04Å
21A98.7Very high98.2Very high0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-65.4-39.8-174.800000112.8F5 A17 E18 E23 V24 M25 F30 I131F5-A21 HydrophobicContact CE2-CB 3.68Å; F5-A21 HydrophobicContact CZ-CB 3.95Å; A17-A21 VanDerWaalsContact O-CB 3.22Å; A17-A21 WeakPolarHBondContact O-CB 3.45Å; A17-A21 PolarHBondContact O-N 3.05Å; E18-A21 PolarHBondContact O-N 3.14Å; A21-E23 VanDerWaalsContact C-N 3.26Å; A21-E23 PolarHBondContact O-N 3.43Å; A21-V24 PolarHBondContact O-N 3.03Å; A21-M25 HydrophobicContact CB-CE 4.15Å; A21-M25 WeakPolarHBondContact O-CB 3.24Å; A21-M25 PolarHBondContact O-N 2.94Å; A21-F30 HydrophobicContact CB-CB 4.48Å; A21-F30 HydrophobicContact CB-CD1 3.6Å; A21-F30 HydrophobicContact CB-CD2 3.84Å; A21-F30 HydrophobicContact CB-CE1 3.66Å; A21-F30 HydrophobicContact CB-CE2 3.89Å; A21-F30 HydrophobicContact CB-CG 3.7Å; A21-F30 HydrophobicContact CB-CZ 3.81Å; A21-F30 VanDerWaalsContact O-CE2 3.31Å; A21-F30 WeakPolarHBondContact O-CE2 3.4Å; A21-I131 HydrophobicContact CB-CG2 4Å
22K98.5Very high98.3Very high61 Ų6133.9 Ų33.927%0.26517%0.174SC..Hα-helixtrans-57.6-40.4173.6-76.4178.3-178.7170.70111.9E18 I20 F30 A57E18-K22 HydrophobicContact CG-CD 4.18Å; E18-K22 WeakPolarHBondContact O-CG 3.18Å; E18-K22 PolarHBondContact O-N 2.69Å; E18-K22 WeakPolarHBondContact OE1-CE 3.46Å; E18-K22 IonicContact OE1-NZ 2.78Å; E18-K22 PolarHBondContact OE1-NZ 2.85Å; I20-K22 PolarHBondContact O-N 2.87Å; K22-F30 WeakPolarHBondContact CE-O 3.2Å; K22-F30 HydrophobicContact CG-CB 4.01Å; K22-F30 HydrophobicContact CG-CD2 4.15Å; K22-A57 HydrophobicContact CB-CB 3.65Å; K22-A57 HydrophobicContact CD-CB 4.02Å; K22-A57 HydrophobicContact CG-CB 4.49Å
23E97.8Very high98.3Very high106 Ų10634.3 Ų34.350%0.49518%0.175SC..Hα-helixtrans-69.9-45.1-179.6-167.355.6-142.600111.7S19 I20 A21S19-E23 PolarHBondContact O-N 3.05Å; I20-E23 PolarHBondContact O-N 2.81Å; A21-E23 VanDerWaalsContact C-N 3.26Å; A21-E23 PolarHBondContact O-N 3.43Å
24V97.6Very high98.3Very high40 Ų4033.8 Ų33.824%0.24217%0.173CC..Hα-helixtrans-86.1-17.8-173.7-58.40000114.8I20 A21 I131 L132 K135I20-V24 WeakPolarHBondContact O-CG2 3.47Å; I20-V24 PolarHBondContact O-N 2.97Å; I20-V24 VanDerWaalsContact O-N 3.08Å; A21-V24 PolarHBondContact O-N 3.03Å; V24-I131 HydrophobicContact CG2-CG2 3.64Å; V24-L132 HydrophobicContact CG1-CD2 4.46Å; V24-K135 WeakPolarHBondContact O-CE 3.38Å; V24-K135 PolarHBondContact O-NZ 3.28Å
25M97.9Very high98.3Very high5 Ų534.7 Ų34.73%0.02518%0.177CC..  trans-136.561.5-176.1-70.4179.3-79.200112.5A21 N27 H28 F30 I131 L134 K135 I138A21-M25 HydrophobicContact CB-CE 4.15Å; A21-M25 WeakPolarHBondContact O-CB 3.24Å; A21-M25 PolarHBondContact O-N 2.94Å; M25-N27 PolarHBondContact O-N 3.33Å; M25-H28 PolarHBondContact O-N 3.23Å; M25-F30 HydrophobicContact CB-CE2 3.74Å; M25-F30 HydrophobicContact CB-CZ 3.82Å; M25-F30 HydrophobicContact CE-CE1 4.12Å; M25-F30 HydrophobicContact CE-CE2 4.41Å; M25-F30 HydrophobicContact CE-CZ 3.58Å; M25-F30 WeakPolarHBondContact O-CE2 3.45Å; M25-F30 HydrophobicContact SD-CZ 4.02Å; M25-I131 HydrophobicContact CE-CG2 3.69Å; M25-L134 HydrophobicContact CE-CD2 4.2Å; M25-L134 HydrophobicContact CE-CG 4.36Å; M25-K135 HydrophobicContact CE-CB 4.19Å; M25-K135 HydrophobicContact CG-CB 3.88Å; M25-K135 HydrophobicContact CG-CD 3.85Å; M25-K135 HydrophobicContact CG-CG 3.69Å; M25-K135 WeakPolarHBondContact SD-CA 3.42Å; M25-K135 HydrophobicContact SD-CB 3.54Å; M25-K135 VanDerWaalsContact SD-CB 3.54Å; M25-K135 HydrophobicContact SD-CG 3.93Å; M25-I138 HydrophobicContact SD-CD1 3.8Å; M25-I138 HydrophobicContact SD-CG1 4.06Å
26P96.3Very high98.2Very high100 Ų10040.7 Ų40.765%0.64920%0.203SC*.THydrogen-bonded Turntrans-64.6-12.7-172.726.8-37.1000115.2H28P26-H28 VanDerWaalsContact C-N 3.27Å
27N96.7Very high98.2Very high151 Ų15140.9 Ų40.981%0.80721%0.205SC*.THydrogen-bonded Turntrans-81.7-5.7176.5-63.1-35.4000113.4M25M25-N27 PolarHBondContact O-N 3.33Å
28H97.9Very high98.1Very high34 Ų3445.7 Ų45.716%0.15723%0.234CC..SBendtrans-111.7155.5178.1-67.2119.1000110.7M25 P26 F30 C139M25-H28 PolarHBondContact O-N 3.23Å; P26-H28 VanDerWaalsContact C-N 3.27Å; H28-F30 HydrophobicContact CB-CD2 4.39Å; H28-F30 HydrophobicContact CB-CE1 4.49Å; H28-F30 HydrophobicContact CB-CE2 3.55Å; H28-F30 HydrophobicContact CB-CZ 3.6Å; H28-C139 VanDerWaalsContact CE1-SG 3.53Å
29Q98.2Very high98.1Very high128 Ų12849.5 Ų49.560%0.59826%0.255SS*.EExtended strand (participates in β ladder)trans-99.5124.3176.1-65.7177.113.300108.7M1 K2 I3M1-Q29 PolarHBondContact O-N 2.89Å; K2-Q29 CarbonylContact C-O 3.58Å; K2-Q29 WeakPolarHBondContact CA-O 3.42Å; K2-Q29 HydrophobicContact CB-CB 4.44Å; I3-Q29 PolarHBondContact N-O 3.3Å
30F98.6Very high98Very high8 Ų855 Ų554%0.03528%0.284CS..EExtended strand (participates in β ladder)trans-118.7135.9177.7-59.8-81.6000110.5I3 F5 E18 A21 K22 M25 H28I3-F30 HydrophobicContact CB-CD1 3.74Å; I3-F30 HydrophobicContact CB-CE1 3.78Å; I3-F30 HydrophobicContact CD1-CD1 4.44Å; I3-F30 HydrophobicContact CD1-CE1 3.61Å; I3-F30 HydrophobicContact CD1-CZ 4.16Å; I3-F30 HydrophobicContact CG1-CE1 4.22Å; I3-F30 HydrophobicContact CG2-CD1 4.06Å; I3-F30 HydrophobicContact CG2-CE1 4.06Å; I3-F30 WeakPolarHBondContact O-CA 3.45Å; F5-F30 HydrophobicContact CE2-CB 4.49Å; F5-F30 AromaticContact CE2-CD1 3.61Å; F5-F30 HydrophobicContact CE2-CD1 3.61Å; F5-F30 HydrophobicContact CE2-CE1 4.27Å; F5-F30 HydrophobicContact CE2-CG 4.36Å; F5-F30 HydrophobicContact CZ-CD1 4.15Å; F5-F30 HydrophobicContact CZ-CE1 4.37Å; E18-F30 HydrophobicContact CG-CB 4.19Å; A21-F30 HydrophobicContact CB-CB 4.48Å; A21-F30 HydrophobicContact CB-CD1 3.6Å; A21-F30 HydrophobicContact CB-CD2 3.84Å; A21-F30 HydrophobicContact CB-CE1 3.66Å; A21-F30 HydrophobicContact CB-CE2 3.89Å; A21-F30 HydrophobicContact CB-CG 3.7Å; A21-F30 HydrophobicContact CB-CZ 3.81Å; A21-F30 VanDerWaalsContact O-CE2 3.31Å; A21-F30 WeakPolarHBondContact O-CE2 3.4Å; K22-F30 WeakPolarHBondContact CE-O 3.2Å; K22-F30 HydrophobicContact CG-CB 4.01Å; K22-F30 HydrophobicContact CG-CD2 4.15Å; M25-F30 HydrophobicContact CB-CE2 3.74Å; M25-F30 HydrophobicContact CB-CZ 3.82Å; M25-F30 HydrophobicContact CE-CE1 4.12Å; M25-F30 HydrophobicContact CE-CE2 4.41Å; M25-F30 HydrophobicContact CE-CZ 3.58Å; M25-F30 WeakPolarHBondContact O-CE2 3.45Å; M25-F30 HydrophobicContact SD-CZ 4.02Å; H28-F30 HydrophobicContact CB-CD2 4.39Å; H28-F30 HydrophobicContact CB-CE1 4.49Å; H28-F30 HydrophobicContact CB-CE2 3.55Å; H28-F30 HydrophobicContact CB-CZ 3.6Å
31E98.6Very high98Very high53 Ų5359.6 Ų59.625%0.24831%0.305CS..EExtended strand (participates in β ladder)trans-134.9163.3172.2-72.9174.9-149.800108.7K2 I3 L4 F5 R33K2-E31 WeakPolarHBondContact CE-OE1 3.45Å; K2-E31 WeakPolarHBondContact CE-OE2 3.1Å; K2-E31 IonicContact NZ-OE1 3.43Å; K2-E31 PolarHBondContact NZ-OE1 3.37Å; K2-E31 IonicContact NZ-OE2 2.93Å; K2-E31 PolarHBondContact NZ-OE2 3.04Å; I3-E31 PolarHBondContact O-N 3.3Å; I3-E31 VanDerWaalsContact O-N 3.13Å; L4-E31 WeakPolarHBondContact CA-O 3.29Å; L4-E31 HydrophobicContact CD1-CB 3.54Å; F5-E31 PolarHBondContact N-O 3.18Å; E31-R33 IonicContact OE2-CZ 2.85Å; E31-R33 IonicContact OE2-NH1 2.7Å; E31-R33 IonicContact OE2-NH2 2.82Å; E31-R33 PolarHBondContact OE2-NH2 3.23Å
32S98.8Very high97.9Very high0 Ų061.4 Ų61.40%032%0.324CS..EExtended strand (participates in β ladder)trans-128.7151.3172.965.20000112.7F5 N10 S14 E18F5-S32 CarbonylContact O-C 3.51Å; F5-S32 VanDerWaalsContact O-CA 3.26Å; F5-S32 WeakPolarHBondContact O-CA 3.33Å; N10-S32 WeakPolarHBondContact ND2-CB 3.35Å; N10-S32 PolarHBondContact ND2-OG 3.3Å; N10-S32 PolarHBondContact OD1-O 2.97Å; S14-S32 WeakPolarHBondContact O-CB 3.43Å; E18-S32 VanDerWaalsContact OE2-CB 3.23Å; E18-S32 WeakPolarHBondContact OE2-CB 3.5Å; E18-S32 PolarHBondContact OE2-N 2.8Å; E18-S32 PolarHBondContact OE2-OG 2.66Å
33R98.8Very high97.9Very high16 Ų1659 Ų596%0.0631%0.314CS..EExtended strand (participates in β ladder)trans-139.3169175.5-63.9-65-177.8-84.2-12.7111.7L4 F5 V6 C7 N10 S14 E31 Q63 F65 D69L4-R33 HydrophobicContact CD1-CG 3.86Å; L4-R33 HydrophobicContact CD2-CB 4.48Å; L4-R33 HydrophobicContact CD2-CG 3.97Å; L4-R33 HydrophobicContact CG-CG 4.2Å; F5-R33 PolarHBondContact O-N 2.79Å; V6-R33 WeakPolarHBondContact CA-O 3.39Å; V6-R33 HydrophobicContact CG2-CB 4.46Å; C7-R33 PolarHBondContact N-O 3.44Å; N10-R33 VanDerWaalsContact CG-C 3.48Å; N10-R33 PolarHBondContact ND2-N 2.96Å; S14-R33 PolarHBondContact OG-O 3.16Å; S14-R33 VanDerWaalsContact OG-O 3.11Å; E31-R33 IonicContact OE2-CZ 2.85Å; E31-R33 IonicContact OE2-NH1 2.7Å; E31-R33 IonicContact OE2-NH2 2.82Å; E31-R33 PolarHBondContact OE2-NH2 3.23Å; R33-Q63 CarbonylContact C-O 3.56Å; R33-Q63 VanDerWaalsContact CA-O 3.29Å; R33-Q63 WeakPolarHBondContact CA-O 3.4Å; R33-Q63 WeakPolarHBondContact CD-O 3.46Å; R33-Q63 VanDerWaalsContact CZ-OE1 3.31Å; R33-F65 HydrophobicContact CB-CB 3.93Å; R33-F65 HydrophobicContact CB-CD2 4.08Å; R33-F65 HydrophobicContact CG-CD2 4.35Å; R33-D69 IonicContact CZ-OD1 3.18Å; R33-D69 VanDerWaalsContact CZ-OD1 3.31Å; R33-D69 IonicContact NE-OD1 3.6Å; R33-D69 PolarHBondContact NE-OD1 2.76Å; R33-D69 IonicContact NE-OD2 2.76Å; R33-D69 PolarHBondContact NE-OD2 3.02Å; R33-D69 IonicContact NH2-OD1 3.35Å; R33-D69 PolarHBondContact NH2-OD1 2.83Å
34G98.5Very high97.8Very high0 Ų055.1 Ų55.10%030%0.299CS..EExtended strand (participates in β ladder)trans-132.6140.5171.100000111.7C7 T8 F36 A37 Q63 Q64 F65C7-G34 CarbonylContact O-C 3.54Å; C7-G34 WeakPolarHBondContact O-CA 3.47Å; T8-G34 CarbonylContact O-C 3.48Å; T8-G34 WeakPolarHBondContact O-CA 3.12Å; G34-F36 VanDerWaalsContact C-N 3.28Å; G34-F36 PolarHBondContact O-N 2.95Å; G34-A37 PolarHBondContact O-N 3.41Å; G34-Q63 PolarHBondContact N-O 3.24Å; G34-Q64 CarbonylContact O-C 3.59Å; G34-Q64 VanDerWaalsContact O-CA 3.31Å; G34-Q64 WeakPolarHBondContact O-CA 3.44Å; G34-F65 PolarHBondContact O-N 3.46Å
35I98.2Very high97.8Very high19 Ų1958.8 Ų58.810%0.09732%0.318CS..THydrogen-bonded Turntrans-65.5-36-179.2-57.4-172.5000111.1V6 C7 T8 Q64 H82 L85 I86V6-I35 HydrophobicContact CG1-CD1 4.36Å; V6-I35 HydrophobicContact CG1-CG1 3.73Å; C7-I35 PolarHBondContact O-N 3.35Å; T8-I35 PolarHBondContact O-N 3.1Å; T8-I35 VanDerWaalsContact O-N 3.15Å; I35-Q64 PolarHBondContact O-NE2 3.32Å; I35-H82 VanDerWaalsContact CD1-CA 3.48Å; I35-H82 HydrophobicContact CD1-CB 3.71Å; I35-H82 WeakPolarHBondContact CD1-O 3.34Å; I35-L85 HydrophobicContact CD1-CB 3.79Å; I35-L85 HydrophobicContact CD1-CD1 4.19Å; I35-L85 HydrophobicContact CG2-CB 4.3Å; I35-L85 HydrophobicContact CG2-CD1 4.31Å; I35-I86 HydrophobicContact CD1-CG1 4.05Å
36F97.3Very high97.9Very high126 Ų12662.9 Ų62.955%0.55333%0.333SS*.THydrogen-bonded Turntrans-121.330.1177.9-59-69000111.8T8 G34 L85T8-F36 HydrophobicContact CG2-CB 4.44Å; T8-F36 HydrophobicContact CG2-CD2 4.09Å; T8-F36 CarbonylContact O-C 3.54Å; T8-F36 PolarHBondContact O-N 3.33Å; G34-F36 VanDerWaalsContact C-N 3.28Å; G34-F36 PolarHBondContact O-N 2.95Å; F36-L85 HydrophobicContact CE2-CD1 3.95Å; F36-L85 HydrophobicContact CZ-CD1 4.39Å
37A97.7Very high98Very high5 Ų558.1 Ų58.14%0.04130%0.302CS..PPolyproline II helixtrans-67.5140.2178.800000111.2T8 G9 N10 G34 Q64T8-A37 PolarHBondContact O-N 3.23Å; G9-A37 WeakPolarHBondContact O-CB 3.16Å; N10-A37 HydrophobicContact CB-CB 3.9Å; G34-A37 PolarHBondContact O-N 3.41Å; A37-Q64 HydrophobicContact CB-CB 4.47Å
38V97.8Very high98Very high100 Ų10055.4 Ų55.461%0.60629%0.285SS*.PPolyproline II helixtrans-84.3128159.4177.60000106.6Q41 S62V38-Q41 HydrophobicContact CB-CG 4.06Å; V38-Q41 HydrophobicContact CG1-CG 4.13Å; V38-S62 PolarHBondContact O-OG 3.43Å
39N98.1Very high98Very high82 Ų8256.6 Ų56.644%0.43929%0.292SS..THydrogen-bonded Turntrans-65.5150.5-178.2-69.1-17.2000112.3Q41 S62 Q63 Q64N39-Q41 VanDerWaalsContact C-N 3.34Å; N39-Q41 PolarHBondContact O-N 3.49Å; N39-S62 CarbonylContact C-O 3.59Å; N39-S62 WeakPolarHBondContact CA-O 3.29Å; N39-Q63 WeakPolarHBondContact OD1-CA 3.45Å; N39-Q64 PolarHBondContact OD1-N 2.73Å
40N98.1Very high98Very high115 Ų11550.5 Ų50.562%0.61526%0.264SS*.THydrogen-bonded Turntrans63.830.5173.5-53.5-51000114.8L61 S62N40-L61 HydrophobicContact CB-CD1 4.4Å; N40-S62 PolarHBondContact N-O 2.88Å
41Q97.4Very high98Very high102 Ų10251 Ų5148%0.47727%0.267SS..PPolyproline II helixtrans-90.3146.9167.3-56.4-62.4-71.900109.9T11 V38 N39 L61 S62T11-Q41 HydrophobicContact CG2-CB 4.33Å; V38-Q41 HydrophobicContact CB-CG 4.06Å; V38-Q41 HydrophobicContact CG1-CG 4.13Å; N39-Q41 VanDerWaalsContact C-N 3.34Å; N39-Q41 PolarHBondContact O-N 3.49Å; Q41-L61 WeakPolarHBondContact O-CA 3.41Å; Q41-S62 WeakPolarHBondContact CA-OG 3.23Å; Q41-S62 VanDerWaalsContact CB-OG 3.23Å; Q41-S62 WeakPolarHBondContact CB-OG 3.5Å; Q41-S62 PolarHBondContact N-OG 3.05Å; Q41-S62 PolarHBondContact O-N 3.31Å; Q41-S62 PolarHBondContact O-OG 3.2Å
42G97.5Very high98Very high39 Ų3955.8 Ų55.840%0.40229%0.29SS..PPolyproline II helixtrans-67.4163.8166.100000111.3T11T11-G42 WeakPolarHBondContact CG2-O 3.44Å
43V97.7Very high98Very high9 Ų961.1 Ų61.16%0.05532%0.315CS..PPolyproline II helixtrans-70.8167.1169.8-57.80000110.1T11 P15 V47 E48 T59T11-V43 CarbonylContact O-C 3.58Å; T11-V43 WeakPolarHBondContact O-CA 3.44Å; T11-V43 WeakPolarHBondContact O-CB 3.18Å; P15-V43 HydrophobicContact CB-CG1 3.67Å; P15-V43 HydrophobicContact CG-CG1 3.66Å; V43-V47 HydrophobicContact CB-CB 4.07Å; V43-V47 HydrophobicContact CB-CG1 3.92Å; V43-V47 HydrophobicContact CG1-CG1 4.35Å; V43-V47 HydrophobicContact CG2-CB 3.94Å; V43-V47 HydrophobicContact CG2-CG1 3.78Å; V43-E48 HydrophobicContact CG2-CG 3.41Å; V43-E48 VanDerWaalsContact CG2-CG 3.41Å; V43-T59 HydrophobicContact CG1-CG2 4.06Å; V43-T59 HydrophobicContact CG2-CG2 4.2Å
44S97Very high98Very high25 Ų2563.7 Ų63.718%0.17533%0.327CS..PPolyproline II helixtrans-65.4147.3174.365.70000110.9T11 Y46 V47 E48 Y120T11-S44 PolarHBondContact O-N 3.05Å; S44-Y46 PolarHBondContact O-N 3Å; S44-V47 WeakPolarHBondContact O-CA 3.42Å; S44-V47 WeakPolarHBondContact O-CB 3.45Å; S44-V47 PolarHBondContact O-N 2.79Å; S44-V47 VanDerWaalsContact OG-CG2 3.28Å; S44-V47 WeakPolarHBondContact OG-CG2 3.36Å; S44-E48 PolarHBondContact O-N 3.43Å; S44-E48 VanDerWaalsContact O-N 3.16Å; S44-Y120 WeakPolarHBondContact OG-CE1 3.4Å
45N97.7Very high97.9Very high118 Ų11871.2 Ų71.263%0.63136%0.362SS*.Hα-helixtrans-50.4-37.3178.9-58.23.9000113.5V47 E48 D49N45-V47 VanDerWaalsContact C-N 3.29Å; N45-V47 PolarHBondContact O-N 2.99Å; N45-E48 WeakPolarHBondContact O-CB 3.37Å; N45-E48 PolarHBondContact O-N 3.37Å; N45-D49 PolarHBondContact O-N 3.49Å
46Y98.3Very high97.9Very high90 Ų9071.5 Ų71.535%0.35336%0.364SS..Hα-helixtrans-68.8-25.8177.8-61.8-41.4000113.8S44 L50 K117 Y120S44-Y46 PolarHBondContact O-N 3Å; Y46-L50 VanDerWaalsContact O-CD1 3.31Å; Y46-L50 WeakPolarHBondContact O-CD1 3.4Å; Y46-L50 WeakPolarHBondContact O-CG 3.31Å; Y46-L50 PolarHBondContact O-N 2.85Å; Y46-K117 HydrophobicContact CD1-CB 3.94Å; Y46-K117 HydrophobicContact CD1-CD 4.2Å; Y46-K117 HydrophobicContact CD1-CG 4.04Å; Y46-K117 HydrophobicContact CE1-CB 3.79Å; Y46-K117 HydrophobicContact CE1-CD 4.36Å; Y46-K117 HydrophobicContact CE1-CG 4.31Å; Y46-K117 HydrophobicContact CG-CB 4.42Å; Y46-Y120 AromaticContact CD2-CD2 3.45Å; Y46-Y120 HydrophobicContact CD2-CD2 3.45Å; Y46-Y120 VanDerWaalsContact CD2-CD2 3.45Å; Y46-Y120 AromaticContact CD2-CE2 3.53Å; Y46-Y120 HydrophobicContact CD2-CE2 3.53Å; Y46-Y120 HydrophobicContact CD2-CG 4.1Å; Y46-Y120 HydrophobicContact CE2-CD2 4.36Å; Y46-Y120 HydrophobicContact CE2-CE2 4.36Å; Y46-Y120 HydrophobicContact CG-CD2 4.04Å; Y46-Y120 HydrophobicContact CG-CE2 4.39Å; Y46-Y120 HydrophobicContact CG-CG 4.24Å
47V98.3Very high97.9Very high0 Ų066.6 Ų66.60%035%0.346CS..Hα-helixtrans-74.8-40.2170.51730000110.1L16 V43 S44 N45 L50 V51 T59 Y120L16-V47 HydrophobicContact CB-CG1 4.11Å; L16-V47 HydrophobicContact CD1-CG1 4.36Å; V43-V47 HydrophobicContact CB-CB 4.07Å; V43-V47 HydrophobicContact CB-CG1 3.92Å; V43-V47 HydrophobicContact CG1-CG1 4.35Å; V43-V47 HydrophobicContact CG2-CB 3.94Å; V43-V47 HydrophobicContact CG2-CG1 3.78Å; S44-V47 WeakPolarHBondContact O-CA 3.42Å; S44-V47 WeakPolarHBondContact O-CB 3.45Å; S44-V47 PolarHBondContact O-N 2.79Å; S44-V47 VanDerWaalsContact OG-CG2 3.28Å; S44-V47 WeakPolarHBondContact OG-CG2 3.36Å; N45-V47 VanDerWaalsContact C-N 3.29Å; N45-V47 PolarHBondContact O-N 2.99Å; V47-L50 PolarHBondContact O-N 2.82Å; V47-V51 HydrophobicContact CG1-CG2 4.28Å; V47-V51 WeakPolarHBondContact O-CB 3.39Å; V47-V51 VanDerWaalsContact O-CG2 3.23Å; V47-V51 WeakPolarHBondContact O-CG2 3.37Å; V47-V51 PolarHBondContact O-N 2.7Å; V47-T59 HydrophobicContact CG1-CG2 4.18Å; V47-Y120 HydrophobicContact CG2-CD1 3.96Å; V47-Y120 HydrophobicContact CG2-CE1 3.88Å
48E98.1Very high97.9Very high94 Ų9474.4 Ų74.444%0.43938%0.382SS..Hα-helixtrans-58.5-49.3173.6-57.1-174.3153.700110.8V43 S44 N45 L50 V51 E52V43-E48 HydrophobicContact CG2-CG 3.41Å; V43-E48 VanDerWaalsContact CG2-CG 3.41Å; S44-E48 PolarHBondContact O-N 3.43Å; S44-E48 VanDerWaalsContact O-N 3.16Å; N45-E48 WeakPolarHBondContact O-CB 3.37Å; N45-E48 PolarHBondContact O-N 3.37Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 2.95Å; E48-V51 PolarHBondContact O-N 3.02Å; E48-E52 PolarHBondContact O-N 2.87Å
49D98.1Very high97.8Very high59 Ų5971.2 Ų71.232%0.31636%0.363SS..Hα-helixtrans-52-49.8175.1-79.99.4000111.7N45 E52 E53 K117N45-D49 PolarHBondContact O-N 3.49Å; D49-E52 PolarHBondContact O-N 2.93Å; D49-E53 WeakPolarHBondContact O-CB 3.34Å; D49-E53 PolarHBondContact O-N 2.96Å; D49-K117 IonicContact OD2-NZ 2.86Å; D49-K117 PolarHBondContact OD2-NZ 3.42Å
50L98.5Very high97.7Very high1 Ų169.4 Ų69.41%0.00536%0.355CS..Hα-helixtrans-67.9-37.3-177.3-75.3165.5000112.4L16 Y46 V47 E48 H54 V121 Y124L16-L50 HydrophobicContact CD1-CB 4.46Å; L16-L50 HydrophobicContact CD2-CD1 4.2Å; Y46-L50 VanDerWaalsContact O-CD1 3.31Å; Y46-L50 WeakPolarHBondContact O-CD1 3.4Å; Y46-L50 WeakPolarHBondContact O-CG 3.31Å; Y46-L50 PolarHBondContact O-N 2.85Å; V47-L50 PolarHBondContact O-N 2.82Å; E48-L50 VanDerWaalsContact C-N 3.33Å; E48-L50 PolarHBondContact O-N 2.95Å; L50-H54 WeakPolarHBondContact O-CB 3.39Å; L50-H54 PolarHBondContact O-CD2 2.79Å; L50-H54 VanDerWaalsContact O-CD2 3.28Å; L50-H54 PolarHBondContact O-N 2.93Å; L50-V121 HydrophobicContact CD2-CG2 4.12Å; L50-Y124 HydrophobicContact CD2-CD1 4.38Å; L50-Y124 HydrophobicContact CD2-CG 4.23Å
51V98.3Very high97.7Very high17 Ų1768.2 Ų68.210%0.10335%0.348CS..Hα-helixtrans-65.7-42.4177165.50000110.5L16 V47 E48 H55 L56 T59L16-V51 HydrophobicContact CD1-CG2 4.2Å; V47-V51 HydrophobicContact CG1-CG2 4.28Å; V47-V51 WeakPolarHBondContact O-CB 3.39Å; V47-V51 VanDerWaalsContact O-CG2 3.23Å; V47-V51 WeakPolarHBondContact O-CG2 3.37Å; V47-V51 PolarHBondContact O-N 2.7Å; E48-V51 PolarHBondContact O-N 3.02Å; V51-H55 PolarHBondContact O-N 2.92Å; V51-H55 VanDerWaalsContact O-N 3.13Å; V51-L56 HydrophobicContact CB-CB 4.48Å; V51-L56 HydrophobicContact CG1-CB 4.22Å; V51-L56 HydrophobicContact CG2-CB 4.41Å; V51-L56 HydrophobicContact CG2-CD1 4.23Å; V51-L56 PolarHBondContact O-N 3.13Å; V51-T59 HydrophobicContact CG2-CG2 3.72Å
52E98.1Very high97.8Very high154 Ų15463.4 Ų63.472%0.7233%0.326SS*.Hα-helixtrans-66.6-51174.5-174177.2-175.300111.5E48 D49 H54 H55E48-E52 PolarHBondContact O-N 2.87Å; D49-E52 PolarHBondContact O-N 2.93Å; E52-H54 VanDerWaalsContact C-N 3.28Å; E52-H54 PolarHBondContact O-N 3.15Å; E52-H55 PolarHBondContact O-N 2.9Å; E52-H55 VanDerWaalsContact O-N 3.15Å
53E98Very high97.8Very high113 Ų11365.2 Ų65.253%0.52832%0.324SS..Hα-helixtrans-58.7-38.8-176.7-177172.916700112.4D49D49-E53 WeakPolarHBondContact O-CB 3.34Å; D49-E53 PolarHBondContact O-N 2.96Å
54H98.3Very high97.9Very high69 Ų6969 Ų6932%0.31934%0.34SS..THydrogen-bonded Turntrans-98.77.4-178.5-64.2-64.8000114.2L50 E52 L56 Y124L50-H54 WeakPolarHBondContact O-CB 3.39Å; L50-H54 PolarHBondContact O-CD2 2.79Å; L50-H54 VanDerWaalsContact O-CD2 3.28Å; L50-H54 PolarHBondContact O-N 2.93Å; E52-H54 VanDerWaalsContact C-N 3.28Å; E52-H54 PolarHBondContact O-N 3.15Å; H54-L56 VanDerWaalsContact C-N 3.25Å; H54-L56 HydrophobicContact CB-CD1 4.28Å; H54-L56 HydrophobicContact CB-CD2 3.99Å; H54-L56 HydrophobicContact CB-CG 3.85Å; H54-L56 PolarHBondContact O-N 2.93Å; H54-Y124 HydrophobicContact CB-CE2 4.45Å; H54-Y124 WeakPolarHBondContact CB-OH 3.38Å; H54-Y124 AromaticContact CD2-CD1 3.99Å; H54-Y124 AromaticContact CD2-CE1 3.38Å; H54-Y124 WeakPolarHBondContact CD2-CE1 3.34Å; H54-Y124 AromaticContact CD2-CE2 3.9Å; H54-Y124 AromaticContact CD2-CZ 3.33Å; H54-Y124 AromaticContact CE1-CE1 3.62Å; H54-Y124 AromaticContact CG-CE1 3.85Å; H54-Y124 AromaticContact CG-CZ 3.49Å; H54-Y124 VanDerWaalsContact CG-CZ 3.49Å; H54-Y124 AromaticContact ND1-CE1 3.98Å; H54-Y124 AromaticContact ND1-CZ 3.92Å; H54-Y124 PolarHBondContact ND1-OH 3.16Å; H54-Y124 AromaticContact NE2-CD1 3.74Å; H54-Y124 AromaticContact NE2-CE1 3.21Å; H54-Y124 WeakPolarHBondContact NE2-CE1 3.18Å; H54-Y124 AromaticContact NE2-CZ 3.69Å
55H97.8Very high97.9Very high159 Ų15968.3 Ų68.374%0.73634%0.335SS*.THydrogen-bonded Turntrans52.642.6179.5-51.981.7000112.8V51 E52V51-H55 PolarHBondContact O-N 2.92Å; V51-H55 VanDerWaalsContact O-N 3.13Å; E52-H55 PolarHBondContact O-N 2.9Å; E52-H55 VanDerWaalsContact O-N 3.15Å
56L98.3Very high98Very high25 Ų2565.9 Ų65.913%0.13132%0.324CS..PPolyproline II helixtrans-81.6165.5-179-52.4176.9000111L16 I20 V51 H54 Y124L16-L56 HydrophobicContact CD1-CD1 4.11Å; I20-L56 HydrophobicContact CG1-CD1 3.76Å; I20-L56 HydrophobicContact CG1-CD2 4.48Å; V51-L56 HydrophobicContact CB-CB 4.48Å; V51-L56 HydrophobicContact CG1-CB 4.22Å; V51-L56 HydrophobicContact CG2-CB 4.41Å; V51-L56 HydrophobicContact CG2-CD1 4.23Å; V51-L56 PolarHBondContact O-N 3.13Å; H54-L56 VanDerWaalsContact C-N 3.25Å; H54-L56 HydrophobicContact CB-CD1 4.28Å; H54-L56 HydrophobicContact CB-CD2 3.99Å; H54-L56 HydrophobicContact CB-CG 3.85Å; H54-L56 PolarHBondContact O-N 2.93Å; L56-Y124 HydrophobicContact CD1-CE2 3.89Å
57A97.7Very high97.9Very high22 Ų2268.5 Ų68.518%0.18234%0.34CS..PPolyproline II helixtrans-57.9143.6172.800000111.7S19 K22 T59S19-A57 WeakPolarHBondContact CB-O 3.41Å; S19-A57 PolarHBondContact OG-O 3.4Å; K22-A57 HydrophobicContact CB-CB 3.65Å; K22-A57 HydrophobicContact CD-CB 4.02Å; K22-A57 HydrophobicContact CG-CB 4.49Å; A57-T59 PolarHBondContact O-N 3.15Å
58E97.2Very high97.9Very high169 Ų16971.4 Ų71.479%0.7936%0.363SS*.PPolyproline II helixtrans-55.8137.1179.8-168.2178.8176.100111.7
59T95.2Very high97.9Very high33 Ų3367.3 Ų67.320%0.20234%0.344CS..PPolyproline II helixtrans-72.4153.3178.859.60000111.1S19 V43 V47 V51 A57S19-T59 WeakPolarHBondContact OG-CG2 3.49Å; V43-T59 HydrophobicContact CG1-CG2 4.06Å; V43-T59 HydrophobicContact CG2-CG2 4.2Å; V47-T59 HydrophobicContact CG1-CG2 4.18Å; V51-T59 HydrophobicContact CG2-CG2 3.72Å; A57-T59 PolarHBondContact O-N 3.15Å
60T96.3Very high97.9Very high44 Ų4466 Ų6627%0.2734%0.337SS..PPolyproline II helixtrans-96.6154.2172.761.50000110.4E18E18-T60 VanDerWaalsContact OE1-CG2 3.31Å; E18-T60 WeakPolarHBondContact OE1-CG2 3.45Å; E18-T60 PolarHBondContact OE1-OG1 3.05Å; E18-T60 PolarHBondContact OE2-OG1 2.95Å
61L98.2Very high97.9Very high91 Ų9174.3 Ų74.348%0.47637%0.373SS..PPolyproline II helixtrans-66146.9172.2-62.7178000110.3N40 Q41N40-L61 HydrophobicContact CB-CD1 4.4Å; Q41-L61 WeakPolarHBondContact O-CA 3.41Å
62S98.5Very high97.9Very high1 Ų173.8 Ų73.81%0.00737%0.371CS..PPolyproline II helixtrans-56.6141.7-177.762.50000112.7N10 V38 N39 N40 Q41N10-S62 VanDerWaalsContact OD1-CA 3.27Å; N10-S62 WeakPolarHBondContact OD1-CA 3.07Å; V38-S62 PolarHBondContact O-OG 3.43Å; N39-S62 CarbonylContact C-O 3.59Å; N39-S62 WeakPolarHBondContact CA-O 3.29Å; N40-S62 PolarHBondContact N-O 2.88Å; Q41-S62 WeakPolarHBondContact CA-OG 3.23Å; Q41-S62 VanDerWaalsContact CB-OG 3.23Å; Q41-S62 WeakPolarHBondContact CB-OG 3.5Å; Q41-S62 PolarHBondContact N-OG 3.05Å; Q41-S62 PolarHBondContact O-N 3.31Å; Q41-S62 PolarHBondContact O-OG 3.2Å
63Q98.7Very high97.9Very high77 Ų7770.9 Ų70.936%0.3636%0.36SS..  trans-140136.3177.1-70.2-178.53600110.7N10 R33 G34 N39N10-Q63 PolarHBondContact OD1-N 3.29Å; N10-Q63 PolarHBondContact OD1-O 2.98Å; R33-Q63 CarbonylContact C-O 3.56Å; R33-Q63 VanDerWaalsContact CA-O 3.29Å; R33-Q63 WeakPolarHBondContact CA-O 3.4Å; R33-Q63 WeakPolarHBondContact CD-O 3.46Å; R33-Q63 VanDerWaalsContact CZ-OE1 3.31Å; G34-Q63 PolarHBondContact N-O 3.24Å; N39-Q63 WeakPolarHBondContact OD1-CA 3.45Å
64Q98.5Very high97.9Very high87 Ų8766 Ų6641%0.40734%0.337SS..BIsolated β-bridgetrans-71.7137.8175.1-169.9164.626.200110.4G34 I35 A37 N39G34-Q64 CarbonylContact O-C 3.59Å; G34-Q64 VanDerWaalsContact O-CA 3.31Å; G34-Q64 WeakPolarHBondContact O-CA 3.44Å; I35-Q64 PolarHBondContact O-NE2 3.32Å; A37-Q64 HydrophobicContact CB-CB 4.47Å; N39-Q64 PolarHBondContact OD1-N 2.73Å
65F98.6Very high97.9Very high12 Ų1262.7 Ų62.75%0.05332%0.322CS..  trans-63.5134.3172.5-173.1-81000110.3L4 V6 R33 G34 D69 L70 I75 I86 F90L4-F65 HydrophobicContact CD2-CD2 3.81Å; L4-F65 HydrophobicContact CD2-CE2 3.57Å; V6-F65 HydrophobicContact CG1-CD2 4.34Å; V6-F65 HydrophobicContact CG2-CD2 3.8Å; V6-F65 HydrophobicContact CG2-CE2 4.08Å; R33-F65 HydrophobicContact CB-CB 3.93Å; R33-F65 HydrophobicContact CB-CD2 4.08Å; R33-F65 HydrophobicContact CG-CD2 4.35Å; G34-F65 PolarHBondContact O-N 3.46Å; F65-D69 HydrophobicContact CD2-CB 4.06Å; F65-D69 HydrophobicContact CE2-CB 3.8Å; F65-D69 HydrophobicContact CZ-CB 4.07Å; F65-L70 HydrophobicContact CE1-CD2 4.26Å; F65-L70 HydrophobicContact CZ-CD2 3.92Å; F65-L70 HydrophobicContact CZ-CG 4.42Å; F65-I75 HydrophobicContact CE2-CD1 4.04Å; F65-I75 HydrophobicContact CE2-CG2 4.18Å; F65-I75 HydrophobicContact CZ-CD1 3.98Å; F65-I86 HydrophobicContact CD2-CD1 4.43Å; F65-I86 HydrophobicContact CE1-CG1 4.44Å; F65-I86 HydrophobicContact CE1-CG2 4.18Å; F65-I86 HydrophobicContact CE2-CD1 4.16Å; F65-I86 HydrophobicContact CZ-CD1 4.31Å; F65-I86 HydrophobicContact CZ-CG2 4.12Å; F65-F90 HydrophobicContact CD1-CD2 4.27Å; F65-F90 AromaticContact CD1-CE2 3.55Å; F65-F90 HydrophobicContact CD1-CE2 3.55Å; F65-F90 AromaticContact CD1-CZ 3.98Å; F65-F90 HydrophobicContact CD1-CZ 3.98Å; F65-F90 AromaticContact CE1-CD2 3.8Å; F65-F90 HydrophobicContact CE1-CD2 3.8Å; F65-F90 AromaticContact CE1-CE2 3.53Å; F65-F90 HydrophobicContact CE1-CE2 3.53Å; F65-F90 HydrophobicContact CE1-CZ 4.07Å
66T98.1Very high98Very high66 Ų6655.1 Ų55.141%0.40529%0.287SS..  trans-133.4168.5-179.766.10000111.6A68 D69T66-A68 PolarHBondContact O-N 3.34Å; T66-A68 VanDerWaalsContact O-N 3.14Å; T66-A68 PolarHBondContact OG1-N 3.49Å; T66-D69 PolarHBondContact N-OD2 2.89Å; T66-D69 VanDerWaalsContact O-CB 3.32Å; T66-D69 WeakPolarHBondContact O-CB 3.27Å; T66-D69 PolarHBondContact O-N 2.66Å; T66-D69 PolarHBondContact OG1-OD2 2.87Å
67E97.6Very high98Very high146 Ų14653.9 Ų53.968%0.68228%0.281SS*.G310 helixtrans-56.6-29.3174.2-167.5-178173.700112.8D69 L70 F90E67-D69 PolarHBondContact O-N 2.76Å; E67-L70 HydrophobicContact CG-CD1 3.87Å; E67-L70 VanDerWaalsContact O-CB 3.29Å; E67-L70 WeakPolarHBondContact O-CB 3.43Å; E67-L70 WeakPolarHBondContact O-CG 3.33Å; E67-L70 PolarHBondContact O-N 3.37Å; E67-F90 HydrophobicContact CB-CD1 4.23Å; E67-F90 HydrophobicContact CB-CE1 4Å; E67-F90 HydrophobicContact CG-CD1 4.44Å
68A98Very high98Very high60 Ų6052.9 Ų52.950%0.49627%0.272SS..G310 helixtrans-64-26.3177.300000112.8T66 L70 K71T66-A68 PolarHBondContact O-N 3.34Å; T66-A68 VanDerWaalsContact O-N 3.14Å; T66-A68 PolarHBondContact OG1-N 3.49Å; A68-L70 VanDerWaalsContact C-N 3.27Å; A68-L70 PolarHBondContact O-N 3.21Å; A68-K71 WeakPolarHBondContact O-CB 3.48Å; A68-K71 WeakPolarHBondContact O-CG 3.15Å; A68-K71 PolarHBondContact O-N 2.78Å
69D98.3Very high98.1Very high8 Ų845 Ų454%0.04324%0.236CC..G310 helixtrans-75.2-16.7-179.9-61.8-58.8000112.5L4 R33 F65 T66 E67 K71 A72L4-D69 HydrophobicContact CD2-CB 3.7Å; R33-D69 IonicContact CZ-OD1 3.18Å; R33-D69 VanDerWaalsContact CZ-OD1 3.31Å; R33-D69 IonicContact NE-OD1 3.6Å; R33-D69 PolarHBondContact NE-OD1 2.76Å; R33-D69 IonicContact NE-OD2 2.76Å; R33-D69 PolarHBondContact NE-OD2 3.02Å; R33-D69 IonicContact NH2-OD1 3.35Å; R33-D69 PolarHBondContact NH2-OD1 2.83Å; F65-D69 HydrophobicContact CD2-CB 4.06Å; F65-D69 HydrophobicContact CE2-CB 3.8Å; F65-D69 HydrophobicContact CZ-CB 4.07Å; T66-D69 PolarHBondContact N-OD2 2.89Å; T66-D69 VanDerWaalsContact O-CB 3.32Å; T66-D69 WeakPolarHBondContact O-CB 3.27Å; T66-D69 PolarHBondContact O-N 2.66Å; T66-D69 PolarHBondContact OG1-OD2 2.87Å; E67-D69 PolarHBondContact O-N 2.76Å; D69-K71 PolarHBondContact O-N 3.34Å; D69-A72 WeakPolarHBondContact O-CB 3.34Å; D69-A72 PolarHBondContact O-N 2.78Å
70L97.9Very high98.2Very high32 Ų3248.2 Ų48.217%0.16825%0.245CC..G310 helixtrans-63.8-5.7171.1-60.5172.3000113.7F65 E67 A68 A72 I75 F90 Q93 H95F65-L70 HydrophobicContact CE1-CD2 4.26Å; F65-L70 HydrophobicContact CZ-CD2 3.92Å; F65-L70 HydrophobicContact CZ-CG 4.42Å; E67-L70 HydrophobicContact CG-CD1 3.87Å; E67-L70 VanDerWaalsContact O-CB 3.29Å; E67-L70 WeakPolarHBondContact O-CB 3.43Å; E67-L70 WeakPolarHBondContact O-CG 3.33Å; E67-L70 PolarHBondContact O-N 3.37Å; A68-L70 VanDerWaalsContact C-N 3.27Å; A68-L70 PolarHBondContact O-N 3.21Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-I75 HydrophobicContact CD2-CD1 4.13Å; L70-F90 HydrophobicContact CD1-CB 3.9Å; L70-F90 HydrophobicContact CD1-CD1 4.15Å; L70-F90 HydrophobicContact CD1-CG 4.17Å; L70-F90 HydrophobicContact CD2-CB 4.38Å; L70-Q93 HydrophobicContact CD2-CG 3.93Å; L70-H95 PolarHBondContact O-NE2 2.91Å
71K97.5Very high98.3Very high176 Ų17648.8 Ų48.877%0.76525%0.251SS*.G310 helixtrans-82.8-6.5172.8-63.1177.5-177.8174.30113.1A68 D69A68-K71 WeakPolarHBondContact O-CB 3.48Å; A68-K71 WeakPolarHBondContact O-CG 3.15Å; A68-K71 PolarHBondContact O-N 2.78Å; D69-K71 PolarHBondContact O-N 3.34Å
72A98.4Very high98.3Very high6 Ų644.8 Ų44.85%0.0523%0.23CC..SBendtrans-63.1148172.400000110.4K2 L4 D69 L70 I74 I75K2-A72 HydrophobicContact CG-CB 4.19Å; L4-A72 HydrophobicContact CB-CB 4.05Å; D69-A72 WeakPolarHBondContact O-CB 3.34Å; D69-A72 PolarHBondContact O-N 2.78Å; L70-A72 VanDerWaalsContact C-N 3.3Å; A72-I74 VanDerWaalsContact C-N 3.31Å; A72-I75 HydrophobicContact CB-CG1 4.02Å
73D98.3Very high98.3Very high92 Ų9246.1 Ų46.149%0.49224%0.236SC..SBendtrans-69.6-34.4177.4-63.2-61.2000110.9M1 K2M1-D73 VanDerWaalsContact C-OD2 3.32Å; M1-D73 WeakPolarHBondContact CA-OD2 3.29Å; M1-D73 HydrophobicContact CG-CB 3.46Å; M1-D73 VanDerWaalsContact CG-CB 3.46Å; M1-D73 WeakPolarHBondContact CG-OD2 3.34Å; M1-D73 HydrophobicContact SD-CB 4.48Å; K2-D73 PolarHBondContact N-OD2 3.21Å; K2-D73 WeakPolarHBondContact O-CB 3.15Å; K2-D73 PolarHBondContact O-N 3.11Å
74I98.4Very high98.3Very high10 Ų1048.6 Ų48.65%0.05125%0.247CC..EExtended strand (participates in β ladder)trans-142.3133.9177.2-50.1170000109.2M1 K2 I3 L4 A72 L76 F97 Y102 I138M1-I74 HydrophobicContact SD-CD1 3.45Å; M1-I74 WeakPolarHBondContact SD-CD1 3.17Å; M1-I74 HydrophobicContact SD-CG1 4.09Å; K2-I74 PolarHBondContact O-N 3.41Å; I3-I74 WeakPolarHBondContact CA-O 3.4Å; I3-I74 HydrophobicContact CD1-CD1 4.43Å; I3-I74 HydrophobicContact CG1-CB 4.33Å; I3-I74 HydrophobicContact CG1-CD1 4.33Å; L4-I74 PolarHBondContact N-O 2.87Å; A72-I74 VanDerWaalsContact C-N 3.31Å; I74-L76 HydrophobicContact CG2-CD1 4.41Å; I74-L76 HydrophobicContact CG2-CD2 3.62Å; I74-L76 HydrophobicContact CG2-CG 3.78Å; I74-F97 HydrophobicContact CG2-CD2 4.41Å; I74-Y102 HydrophobicContact CD1-CE1 4.33Å; I74-Y102 HydrophobicContact CD1-CE2 4.12Å; I74-Y102 WeakPolarHBondContact CD1-OH 3.43Å; I74-Y102 HydrophobicContact CG2-CD2 4.21Å; I74-Y102 HydrophobicContact CG2-CE2 3.92Å; I74-I138 HydrophobicContact CD1-CG2 4.49Å
75I98.8Very high98.3Very high0 Ų047.1 Ų47.10%024%0.242CC..EExtended strand (participates in β ladder)trans-113.6120.3171.5-61.3168.2000108.1L4 V6 F65 L70 A72 I86 H95 V96 F97L4-I75 HydrophobicContact CB-CG1 4.23Å; L4-I75 HydrophobicContact CD2-CG1 4.27Å; L4-I75 HydrophobicContact CD2-CG2 4.47Å; L4-I75 CarbonylContact O-C 3.55Å; L4-I75 WeakPolarHBondContact O-CA 3.24Å; V6-I75 HydrophobicContact CG2-CG2 3.71Å; F65-I75 HydrophobicContact CE2-CD1 4.04Å; F65-I75 HydrophobicContact CE2-CG2 4.18Å; F65-I75 HydrophobicContact CZ-CD1 3.98Å; L70-I75 HydrophobicContact CD2-CD1 4.13Å; A72-I75 HydrophobicContact CB-CG1 4.02Å; I75-I86 HydrophobicContact CG2-CD1 4.19Å; I75-H95 PolarHBondContact N-O 3.45Å; I75-V96 HydrophobicContact CB-CB 4.47Å; I75-V96 HydrophobicContact CB-CG2 3.94Å; I75-V96 HydrophobicContact CD1-CG2 3.89Å; I75-V96 HydrophobicContact CG1-CG2 4.46Å; I75-V96 HydrophobicContact CG2-CG1 4.26Å; I75-V96 HydrophobicContact CG2-CG2 4.26Å; I75-V96 WeakPolarHBondContact O-CA 3.35Å; I75-F97 PolarHBondContact O-N 3.49Å
76L98.9Very high98.3Very high0 Ų046.6 Ų46.60%024%0.24CC..EExtended strand (participates in β ladder)trans-114.1106.3-175.4-63.7176.5000110.1I3 L4 F5 V6 I74 F97 L99 Y102 L134I3-L76 HydrophobicContact CG2-CD1 3.74Å; I3-L76 HydrophobicContact CG2-CG 4.26Å; L4-L76 PolarHBondContact O-N 3.23Å; F5-L76 CarbonylContact C-O 3.53Å; F5-L76 WeakPolarHBondContact CA-O 3.23Å; F5-L76 HydrophobicContact CD1-CB 3.88Å; F5-L76 HydrophobicContact CD1-CD1 4.37Å; F5-L76 HydrophobicContact CE1-CB 4.11Å; F5-L76 HydrophobicContact CE1-CD1 3.77Å; F5-L76 HydrophobicContact CZ-CD1 4.46Å; V6-L76 PolarHBondContact N-O 3.39Å; I74-L76 HydrophobicContact CG2-CD1 4.41Å; I74-L76 HydrophobicContact CG2-CD2 3.62Å; I74-L76 HydrophobicContact CG2-CG 3.78Å; L76-F97 CarbonylContact C-O 3.27Å; L76-F97 WeakPolarHBondContact CA-O 3.45Å; L76-F97 HydrophobicContact CD2-CB 4.29Å; L76-L99 HydrophobicContact CD1-CD1 3.98Å; L76-Y102 HydrophobicContact CD2-CD1 4.28Å; L76-Y102 HydrophobicContact CD2-CD2 3.95Å; L76-Y102 HydrophobicContact CD2-CG 3.66Å; L76-L134 HydrophobicContact CD1-CD1 4.04Å; L76-L134 HydrophobicContact CD1-CD2 3.62Å; L76-L134 HydrophobicContact CD1-CG 4.49Å
77T98.8Very high98.2Very high0 Ų045.5 Ų45.50%023%0.23CC..EExtended strand (participates in β ladder)trans-86.9150179.872.50000111.8V6 S79 H82 K83 I86 V96 F97 T98 L99V6-T77 HydrophobicContact CB-CG2 4.29Å; V6-T77 CarbonylContact O-C 3.27Å; V6-T77 WeakPolarHBondContact O-CA 3.45Å; T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 2.88Å; T77-S79 PolarHBondContact OG1-O 2.84Å; T77-H82 HydrophobicContact CG2-CB 4.11Å; T77-K83 HydrophobicContact CG2-CB 4.12Å; T77-I86 HydrophobicContact CG2-CD1 3.74Å; T77-V96 HydrophobicContact CG2-CG1 4.01Å; T77-F97 PolarHBondContact N-O 2.65Å; T77-F97 PolarHBondContact OG1-O 2.97Å; T77-T98 CarbonylContact O-C 3.59Å; T77-T98 WeakPolarHBondContact O-CA 3.45Å; T77-T98 WeakPolarHBondContact OG1-CA 3.4Å; T77-L99 PolarHBondContact O-N 3.29Å
78M98.7Very high98.2Very high1 Ų142.5 Ų42.51%0.00523%0.23CC..SBendtrans-74.5-20178.8-63-59.310500113.4F5 V6 C7 R13 L99 V109 L127F5-M78 HydrophobicContact CB-CE 4.13Å; F5-M78 HydrophobicContact CD1-CE 3.86Å; F5-M78 HydrophobicContact CG-CE 4.42Å; V6-M78 WeakPolarHBondContact O-CG 3.18Å; V6-M78 PolarHBondContact O-N 3.34Å; C7-M78 HydrophobicContact CB-CB 4.25Å; C7-M78 HydrophobicContact CB-CG 3.63Å; R13-M78 HydrophobicContact CB-CG 3.65Å; R13-M78 HydrophobicContact CB-SD 3.8Å; M78-L99 HydrophobicContact CE-CD2 4.36Å; M78-V109 HydrophobicContact CB-CB 4.2Å; M78-V109 PolarHBondContact O-N 3.45Å; M78-V109 HydrophobicContact SD-CB 4.03Å; M78-V109 HydrophobicContact SD-CG1 4.22Å; M78-V109 HydrophobicContact SD-CG2 3.84Å; M78-L127 HydrophobicContact SD-CD2 4.11Å
79S98.4Very high98.1Very high4 Ų445.8 Ų45.83%0.02824%0.235CC..SBendtrans-149.6161.7-179.668.60000110.7T77 S81 H82 K83 E108T77-S79 VanDerWaalsContact C-N 3.29Å; T77-S79 PolarHBondContact O-N 2.88Å; T77-S79 PolarHBondContact OG1-O 2.84Å; S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact OG-OG 3.4Å; S79-H82 PolarHBondContact N-ND1 3.36Å; S79-H82 WeakPolarHBondContact O-CB 3.27Å; S79-H82 PolarHBondContact O-N 2.98Å; S79-H82 PolarHBondContact OG-CE1 3.16Å; S79-H82 VanDerWaalsContact OG-CE1 3.24Å; S79-H82 PolarHBondContact OG-N 3.23Å; S79-H82 PolarHBondContact OG-ND1 3.05Å; S79-K83 PolarHBondContact O-N 3.4Å; S79-E108 WeakPolarHBondContact CA-OE1 3.26Å; S79-E108 VanDerWaalsContact CB-OE1 3.23Å; S79-E108 WeakPolarHBondContact CB-OE1 3.39Å
80Y97.9Very high98.1Very high99 Ų9948.7 Ų48.739%0.38825%0.247SC..Hα-helixtrans-59.2-41.6170.9-69.9-76.4000111.1H82 K83 E84 T98 E108Y80-H82 PolarHBondContact O-N 3.3Å; Y80-K83 CarbonylContact O-C 3.54Å; Y80-K83 WeakPolarHBondContact O-CA 3.42Å; Y80-K83 WeakPolarHBondContact O-CB 3.44Å; Y80-K83 PolarHBondContact O-N 2.9Å; Y80-E84 WeakPolarHBondContact O-CG 3.31Å; Y80-E84 PolarHBondContact O-N 3.36Å; Y80-T98 HydrophobicContact CD1-CG2 3.54Å; Y80-T98 HydrophobicContact CD2-CG2 4.27Å; Y80-T98 HydrophobicContact CE1-CG2 3.75Å; Y80-T98 HydrophobicContact CE2-CG2 4.43Å; Y80-T98 HydrophobicContact CG-CG2 3.81Å; Y80-E108 VanDerWaalsContact CB-OE1 3.29Å; Y80-E108 WeakPolarHBondContact CB-OE1 3.31Å; Y80-E108 HydrophobicContact CD2-CG 3.74Å; Y80-E108 WeakPolarHBondContact CD2-OE1 3.48Å; Y80-E108 HydrophobicContact CE2-CG 4.12Å; Y80-E108 PolarHBondContact N-OE1 2.6Å
81S98Very high98Very high57 Ų5748.9 Ų48.940%0.39926%0.257SS..Hα-helixtrans-59.1-35.3177.858.40000113S79 L85S79-S81 VanDerWaalsContact C-N 3.31Å; S79-S81 PolarHBondContact OG-OG 3.4Å; S81-L85 WeakPolarHBondContact O-CB 3.47Å; S81-L85 WeakPolarHBondContact O-CD1 3.4Å; S81-L85 VanDerWaalsContact O-CG 3.24Å; S81-L85 WeakPolarHBondContact O-CG 3.28Å; S81-L85 PolarHBondContact O-N 3.26Å
82H98.5Very high97.8Very high7 Ų747.2 Ų47.23%0.03226%0.255CS..Hα-helixtrans-66.8-43.1172.3-64.7125.4000112C7 T8 I35 T77 S79 Y80 L85 I86C7-H82 VanDerWaalsContact C-NE2 3.31Å; T8-H82 PolarHBondContact N-NE2 3.15Å; T8-H82 PolarHBondContact OG1-NE2 2.98Å; I35-H82 VanDerWaalsContact CD1-CA 3.48Å; I35-H82 HydrophobicContact CD1-CB 3.71Å; I35-H82 WeakPolarHBondContact CD1-O 3.34Å; T77-H82 HydrophobicContact CG2-CB 4.11Å; S79-H82 PolarHBondContact N-ND1 3.36Å; S79-H82 WeakPolarHBondContact O-CB 3.27Å; S79-H82 PolarHBondContact O-N 2.98Å; S79-H82 PolarHBondContact OG-CE1 3.16Å; S79-H82 VanDerWaalsContact OG-CE1 3.24Å; S79-H82 PolarHBondContact OG-N 3.23Å; S79-H82 PolarHBondContact OG-ND1 3.05Å; Y80-H82 PolarHBondContact O-N 3.3Å; H82-L85 PolarHBondContact O-N 3.18Å; H82-I86 WeakPolarHBondContact O-CG1 3.14Å; H82-I86 PolarHBondContact O-N 3.1Å
83K98.4Very high97.6Very high29 Ų2949.1 Ų49.113%0.12626%0.263CS..Hα-helixtrans-60.7-49.7177172.3175.5-176179.60110.8T77 S79 Y80 L85 I86 E87 V96 T98 E101T77-K83 HydrophobicContact CG2-CB 4.12Å; S79-K83 PolarHBondContact O-N 3.4Å; Y80-K83 CarbonylContact O-C 3.54Å; Y80-K83 WeakPolarHBondContact O-CA 3.42Å; Y80-K83 WeakPolarHBondContact O-CB 3.44Å; Y80-K83 PolarHBondContact O-N 2.9Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.44Å; K83-I86 PolarHBondContact O-N 3.45Å; K83-I86 VanDerWaalsContact O-N 3.13Å; K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 HydrophobicContact CG-CG 4.46Å; K83-E87 WeakPolarHBondContact O-CG 3.22Å; K83-E87 PolarHBondContact O-N 3.24Å; K83-V96 HydrophobicContact CB-CG1 4.36Å; K83-V96 WeakPolarHBondContact CE-O 3.42Å; K83-V96 HydrophobicContact CG-CG1 3.94Å; K83-V96 PolarHBondContact NZ-O 2.97Å; K83-T98 HydrophobicContact CB-CG2 4.44Å; K83-T98 HydrophobicContact CD-CG2 4.38Å; K83-E101 IonicContact NZ-OE1 2.75Å; K83-E101 PolarHBondContact NZ-OE1 3.26Å; K83-E101 IonicContact NZ-OE2 3.58Å; K83-E101 PolarHBondContact NZ-OE2 3.3Å
84E98Very high97.4Very high128 Ų12852 Ų5260%0.59828%0.279SS*.Hα-helixtrans-58.2-40.9177.6-71.1-177.3143.900111.9Y80 E87 A88Y80-E84 WeakPolarHBondContact O-CG 3.31Å; Y80-E84 PolarHBondContact O-N 3.36Å; E84-E87 PolarHBondContact O-N 3.1Å; E84-A88 WeakPolarHBondContact O-CB 3.5Å; E84-A88 PolarHBondContact O-N 2.84Å
85L98.1Very high97.4Very high56 Ų5653.6 Ų53.629%0.29329%0.286SS..Hα-helixtrans-64.6-42.5176.2-77.3169.1000112I35 F36 S81 H82 K83 A88 H89I35-L85 HydrophobicContact CD1-CB 3.79Å; I35-L85 HydrophobicContact CD1-CD1 4.19Å; I35-L85 HydrophobicContact CG2-CB 4.3Å; I35-L85 HydrophobicContact CG2-CD1 4.31Å; F36-L85 HydrophobicContact CE2-CD1 3.95Å; F36-L85 HydrophobicContact CZ-CD1 4.39Å; S81-L85 WeakPolarHBondContact O-CB 3.47Å; S81-L85 WeakPolarHBondContact O-CD1 3.4Å; S81-L85 VanDerWaalsContact O-CG 3.24Å; S81-L85 WeakPolarHBondContact O-CG 3.28Å; S81-L85 PolarHBondContact O-N 3.26Å; H82-L85 PolarHBondContact O-N 3.18Å; K83-L85 VanDerWaalsContact C-N 3.29Å; K83-L85 PolarHBondContact O-N 3.44Å; L85-A88 PolarHBondContact O-N 3.39Å; L85-H89 PolarHBondContact O-N 2.87Å; L85-H89 PolarHBondContact O-ND1 3.23Å
86I98.2Very high97.4Very high2 Ų253.7 Ų53.71%0.0129%0.287CS..Hα-helixtrans-61.2-49.7174.9-67.5170.2000109.7V6 I35 F65 I75 T77 H82 K83 A88 H89 F90 V96V6-I86 HydrophobicContact CB-CD1 4.39Å; V6-I86 HydrophobicContact CG1-CD1 4.13Å; V6-I86 HydrophobicContact CG2-CD1 4.34Å; I35-I86 HydrophobicContact CD1-CG1 4.05Å; F65-I86 HydrophobicContact CD2-CD1 4.43Å; F65-I86 HydrophobicContact CE1-CG1 4.44Å; F65-I86 HydrophobicContact CE1-CG2 4.18Å; F65-I86 HydrophobicContact CE2-CD1 4.16Å; F65-I86 HydrophobicContact CZ-CD1 4.31Å; F65-I86 HydrophobicContact CZ-CG2 4.12Å; I75-I86 HydrophobicContact CG2-CD1 4.19Å; T77-I86 HydrophobicContact CG2-CD1 3.74Å; H82-I86 WeakPolarHBondContact O-CG1 3.14Å; H82-I86 PolarHBondContact O-N 3.1Å; K83-I86 PolarHBondContact O-N 3.45Å; K83-I86 VanDerWaalsContact O-N 3.13Å; I86-A88 VanDerWaalsContact C-N 3.33Å; I86-A88 PolarHBondContact O-N 2.85Å; I86-H89 PolarHBondContact O-N 3.29Å; I86-F90 HydrophobicContact CG2-CD2 4.07Å; I86-F90 WeakPolarHBondContact O-CB 3.33Å; I86-F90 VanDerWaalsContact O-CD2 3.31Å; I86-F90 WeakPolarHBondContact O-CD2 3.31Å; I86-F90 PolarHBondContact O-N 3.01Å; I86-V96 HydrophobicContact CD1-CG1 4.32Å; I86-V96 HydrophobicContact CG2-CG1 4.45Å; I86-V96 HydrophobicContact CG2-CG2 4.17Å
87E97.3Very high97.4Very high42 Ų4256.4 Ų56.420%0.19630%0.299CS..Hα-helixtrans-64.3-35.9-178.4-70.4176.9170.400112.7K83 E84 G91 L92K83-E87 WeakPolarHBondContact CE-OE1 3.49Å; K83-E87 HydrophobicContact CG-CG 4.46Å; K83-E87 WeakPolarHBondContact O-CG 3.22Å; K83-E87 PolarHBondContact O-N 3.24Å; E84-E87 PolarHBondContact O-N 3.1Å; E87-G91 WeakPolarHBondContact CA-O 3.2Å; E87-G91 CarbonylContact O-C 3.4Å; E87-G91 VanDerWaalsContact O-C 3.27Å; E87-G91 WeakPolarHBondContact O-CA 3.25Å; E87-G91 PolarHBondContact O-N 2.99Å; E87-L92 HydrophobicContact CB-CD2 4.25Å; E87-L92 HydrophobicContact CG-CD2 4.27Å
88A97.2Very high97.4Very high83 Ų8356.5 Ų56.569%0.68630%0.299SS*.Hα-helixtrans-67.5-34.6176.800000112.8E84 L85 I86E84-A88 WeakPolarHBondContact O-CB 3.5Å; E84-A88 PolarHBondContact O-N 2.84Å; L85-A88 PolarHBondContact O-N 3.39Å; I86-A88 VanDerWaalsContact C-N 3.33Å; I86-A88 PolarHBondContact O-N 2.85Å
89H96.9Very high97.4Very high129 Ų12956.5 Ų56.560%0.59730%0.299SS*.Hα-helixtrans-89.2-34.2-178.2-70.684.2000113.2L85 I86L85-H89 PolarHBondContact O-N 2.87Å; L85-H89 PolarHBondContact O-ND1 3.23Å; I86-H89 PolarHBondContact O-N 3.29Å
90F96.6Very high97.4Very high69 Ų6956.9 Ų56.930%0.30330%0.3SS..Hα-helixtrans-116.32.4-171.6-57.6-74.6000113.7F65 E67 L70 I86 Q93F65-F90 HydrophobicContact CD1-CD2 4.27Å; F65-F90 AromaticContact CD1-CE2 3.55Å; F65-F90 HydrophobicContact CD1-CE2 3.55Å; F65-F90 AromaticContact CD1-CZ 3.98Å; F65-F90 HydrophobicContact CD1-CZ 3.98Å; F65-F90 AromaticContact CE1-CD2 3.8Å; F65-F90 HydrophobicContact CE1-CD2 3.8Å; F65-F90 AromaticContact CE1-CE2 3.53Å; F65-F90 HydrophobicContact CE1-CE2 3.53Å; F65-F90 HydrophobicContact CE1-CZ 4.07Å; E67-F90 HydrophobicContact CB-CD1 4.23Å; E67-F90 HydrophobicContact CB-CE1 4Å; E67-F90 HydrophobicContact CG-CD1 4.44Å; L70-F90 HydrophobicContact CD1-CB 3.9Å; L70-F90 HydrophobicContact CD1-CD1 4.15Å; L70-F90 HydrophobicContact CD1-CG 4.17Å; L70-F90 HydrophobicContact CD2-CB 4.38Å; I86-F90 HydrophobicContact CG2-CD2 4.07Å; I86-F90 WeakPolarHBondContact O-CB 3.33Å; I86-F90 VanDerWaalsContact O-CD2 3.31Å; I86-F90 WeakPolarHBondContact O-CD2 3.31Å; I86-F90 PolarHBondContact O-N 3.01Å; F90-Q93 PolarHBondContact O-NE2 3.42Å
91G95.9Very high97.4Very high36 Ų3655.3 Ų55.337%0.37130%0.297SS..  trans80.7166.8-17400000112.8E87 Q93E87-G91 WeakPolarHBondContact CA-O 3.2Å; E87-G91 CarbonylContact O-C 3.4Å; E87-G91 VanDerWaalsContact O-C 3.27Å; E87-G91 WeakPolarHBondContact O-CA 3.25Å; E87-G91 PolarHBondContact O-N 2.99Å; G91-Q93 WeakPolarHBondContact O-CG 3.49Å; G91-Q93 PolarHBondContact O-N 2.96Å; G91-Q93 PolarHBondContact O-NE2 3.22Å
92L93.8Very high97.4Very high141 Ų14155.1 Ų55.174%0.73829%0.287SS*.  trans-60.8128.5179.2-67.4173.9000111.2E87E87-L92 HydrophobicContact CB-CD2 4.25Å; E87-L92 HydrophobicContact CG-CD2 4.27Å
93Q93.5Very high97.4Very high46 Ų4655.3 Ų55.322%0.21529%0.289CS..  trans-121126.3-179.1-59.5-57.9-33.500110.5L70 F90 G91 H95 V96L70-Q93 HydrophobicContact CD2-CG 3.93Å; F90-Q93 PolarHBondContact O-NE2 3.42Å; G91-Q93 WeakPolarHBondContact O-CG 3.49Å; G91-Q93 PolarHBondContact O-N 2.96Å; G91-Q93 PolarHBondContact O-NE2 3.22Å; Q93-H95 PolarHBondContact O-N 3.3Å; Q93-H95 VanDerWaalsContact O-N 3.15Å; Q93-H95 PolarHBondContact OE1-CE1 2.84Å; Q93-V96 HydrophobicContact CB-CB 4.14Å; Q93-V96 HydrophobicContact CB-CG2 3.45Å; Q93-V96 VanDerWaalsContact CB-CG2 3.45Å; Q93-V96 HydrophobicContact CG-CG2 3.99Å; Q93-V96 PolarHBondContact O-N 2.84Å
94N95.9Very high97.3Very high154 Ų15462.9 Ų62.982%0.82432%0.322SS*.THydrogen-bonded Turntrans-74.3-1.6-179.3-65.2-26000114.3F97N94-F97 VanDerWaalsContact O-CZ 3.28Å; N94-F97 WeakPolarHBondContact O-CZ 3.37Å
95H97.8Very high97.3Very high43 Ų4360.4 Ų60.420%0.19931%0.311CS..THydrogen-bonded Turntrans-121.914.5-177.162.1-85.9000112.5L70 I75 Q93L70-H95 PolarHBondContact O-NE2 2.91Å; I75-H95 PolarHBondContact N-O 3.45Å; Q93-H95 PolarHBondContact O-N 3.3Å; Q93-H95 VanDerWaalsContact O-N 3.15Å; Q93-H95 PolarHBondContact OE1-CE1 2.84Å
96V98.5Very high97.1Very high2 Ų262.4 Ų62.41%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-107121.5173.1-1780000108.4I75 T77 K83 I86 Q93I75-V96 HydrophobicContact CB-CB 4.47Å; I75-V96 HydrophobicContact CB-CG2 3.94Å; I75-V96 HydrophobicContact CD1-CG2 3.89Å; I75-V96 HydrophobicContact CG1-CG2 4.46Å; I75-V96 HydrophobicContact CG2-CG1 4.26Å; I75-V96 HydrophobicContact CG2-CG2 4.26Å; I75-V96 WeakPolarHBondContact O-CA 3.35Å; T77-V96 HydrophobicContact CG2-CG1 4.01Å; K83-V96 HydrophobicContact CB-CG1 4.36Å; K83-V96 WeakPolarHBondContact CE-O 3.42Å; K83-V96 HydrophobicContact CG-CG1 3.94Å; K83-V96 PolarHBondContact NZ-O 2.97Å; I86-V96 HydrophobicContact CD1-CG1 4.32Å; I86-V96 HydrophobicContact CG2-CG1 4.45Å; I86-V96 HydrophobicContact CG2-CG2 4.17Å; Q93-V96 HydrophobicContact CB-CB 4.14Å; Q93-V96 HydrophobicContact CB-CG2 3.45Å; Q93-V96 VanDerWaalsContact CB-CG2 3.45Å; Q93-V96 HydrophobicContact CG-CG2 3.99Å; Q93-V96 PolarHBondContact O-N 2.84Å
97F98.4Very high97.1Very high57 Ų5763.9 Ų63.925%0.2535%0.351CS..EExtended strand (participates in β ladder)trans-135.9158.2178.9-55.9-85.8000109.5I74 I75 L76 T77 N94 E101 Y102I74-F97 HydrophobicContact CG2-CD2 4.41Å; I75-F97 PolarHBondContact O-N 3.49Å; L76-F97 CarbonylContact C-O 3.27Å; L76-F97 WeakPolarHBondContact CA-O 3.45Å; L76-F97 HydrophobicContact CD2-CB 4.29Å; T77-F97 PolarHBondContact N-O 2.65Å; T77-F97 PolarHBondContact OG1-O 2.97Å; N94-F97 VanDerWaalsContact O-CZ 3.28Å; N94-F97 WeakPolarHBondContact O-CZ 3.37Å; F97-E101 WeakPolarHBondContact CA-OE2 3.41Å; F97-E101 HydrophobicContact CB-CG 4.47Å; F97-E101 HydrophobicContact CD1-CG 4.21Å; F97-Y102 HydrophobicContact CB-CD2 4.11Å; F97-Y102 AromaticContact CD2-CD2 3.54Å; F97-Y102 HydrophobicContact CD2-CD2 3.54Å; F97-Y102 AromaticContact CD2-CE2 3.98Å; F97-Y102 HydrophobicContact CD2-CE2 3.98Å; F97-Y102 HydrophobicContact CE2-CD2 4.06Å; F97-Y102 HydrophobicContact CE2-CE2 4.09Å; F97-Y102 AromaticContact CG-CD2 3.83Å; F97-Y102 HydrophobicContact CG-CD2 3.83Å
98T98.6Very high97.1Very high1 Ų165.8 Ų65.81%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-71.8152.4159.577.60000109.2T77 Y80 K83 H100 E101 Y102T77-T98 CarbonylContact O-C 3.59Å; T77-T98 WeakPolarHBondContact O-CA 3.45Å; T77-T98 WeakPolarHBondContact OG1-CA 3.4Å; Y80-T98 HydrophobicContact CD1-CG2 3.54Å; Y80-T98 HydrophobicContact CD2-CG2 4.27Å; Y80-T98 HydrophobicContact CE1-CG2 3.75Å; Y80-T98 HydrophobicContact CE2-CG2 4.43Å; Y80-T98 HydrophobicContact CG-CG2 3.81Å; K83-T98 HydrophobicContact CB-CG2 4.44Å; K83-T98 HydrophobicContact CD-CG2 4.38Å; T98-H100 PolarHBondContact O-N 2.58Å; T98-E101 PolarHBondContact N-OE2 3.48Å; T98-E101 PolarHBondContact O-N 3.33Å; T98-E101 WeakPolarHBondContact OG1-CB 3.31Å; T98-E101 PolarHBondContact OG1-N 2.88Å; T98-Y102 PolarHBondContact O-N 2.93Å
99L98.8Very high97.1Very high1 Ų162 Ų621%0.00533%0.328CS..Hα-helixtrans-56.8-42.8176.717857000111.2F5 L76 T77 M78 Y102 V103 V109 L127 L130 L134F5-L99 HydrophobicContact CE1-CD1 4.35Å; L76-L99 HydrophobicContact CD1-CD1 3.98Å; T77-L99 PolarHBondContact O-N 3.29Å; M78-L99 HydrophobicContact CE-CD2 4.36Å; L99-Y102 PolarHBondContact O-N 3.38Å; L99-V103 HydrophobicContact CD1-CG1 4.43Å; L99-V103 WeakPolarHBondContact O-CG2 3.2Å; L99-V103 PolarHBondContact O-N 3.38Å; L99-V103 VanDerWaalsContact O-N 3.16Å; L99-V109 HydrophobicContact CD2-CG2 4.23Å; L99-L127 HydrophobicContact CD2-CD2 3.98Å; L99-L130 HydrophobicContact CD1-CB 4.49Å; L99-L130 HydrophobicContact CD2-CB 3.75Å; L99-L130 HydrophobicContact CD2-CD1 3.8Å; L99-L130 HydrophobicContact CD2-CG 4.41Å; L99-L130 HydrophobicContact CG-CB 3.97Å; L99-L130 HydrophobicContact CG-CD1 4.12Å; L99-L134 HydrophobicContact CD1-CD2 4.49Å
100H98.6Very high97.1Very high13 Ų1359 Ų596%0.0632%0.316CS..Hα-helixtrans-61.7-48.5175.4-80.888.5000112.4T98 Y102 V103 K104 E105 G107 E108 E126 L130T98-H100 PolarHBondContact O-N 2.58Å; H100-Y102 VanDerWaalsContact C-N 3.29Å; H100-Y102 PolarHBondContact O-N 3.38Å; H100-V103 CarbonylContact O-C 3.54Å; H100-V103 WeakPolarHBondContact O-CG2 3.23Å; H100-V103 PolarHBondContact O-N 2.87Å; H100-K104 PolarHBondContact O-N 2.96Å; H100-E105 CarbonylContact C-O 3.59Å; H100-E105 VanDerWaalsContact C-O 3.27Å; H100-E105 WeakPolarHBondContact CB-O 3.44Å; H100-E105 PolarHBondContact O-N 3.44Å; H100-E105 VanDerWaalsContact O-O 3.1Å; H100-G107 VanDerWaalsContact CB-O 3.27Å; H100-G107 WeakPolarHBondContact CB-O 3.43Å; H100-G107 VanDerWaalsContact CG-C 3.45Å; H100-E108 WeakPolarHBondContact ND1-CA 3.32Å; H100-E108 PolarHBondContact ND1-N 3.47Å; H100-E126 IonicContact CE1-OE1 3.31Å; H100-E126 PolarHBondContact CE1-OE1 2.95Å; H100-E126 IonicContact NE2-OE1 2.99Å; H100-L130 VanDerWaalsContact CE1-CD1 3.48Å; H100-L130 WeakPolarHBondContact CE1-CD1 3.39Å
101E98.1Very high97.1Very high66 Ų6659.4 Ų59.431%0.30832%0.321SS..Hα-helixtrans-56.1-45.1176.9176.2-174.9-163.400111.1K83 F97 T98 V103 K104K83-E101 IonicContact NZ-OE1 2.75Å; K83-E101 PolarHBondContact NZ-OE1 3.26Å; K83-E101 IonicContact NZ-OE2 3.58Å; K83-E101 PolarHBondContact NZ-OE2 3.3Å; F97-E101 WeakPolarHBondContact CA-OE2 3.41Å; F97-E101 HydrophobicContact CB-CG 4.47Å; F97-E101 HydrophobicContact CD1-CG 4.21Å; T98-E101 PolarHBondContact N-OE2 3.48Å; T98-E101 PolarHBondContact O-N 3.33Å; T98-E101 WeakPolarHBondContact OG1-CB 3.31Å; T98-E101 PolarHBondContact OG1-N 2.88Å; E101-V103 VanDerWaalsContact C-N 3.35Å; E101-V103 PolarHBondContact O-N 3.25Å; E101-K104 PolarHBondContact O-N 3.47Å; E101-K104 VanDerWaalsContact O-N 3.1Å
102Y98.4Very high97.2Very high52 Ų5257.7 Ų57.720%0.20430%0.304CS..Hα-helixtrans-64.9-38.5-178.4-162.3-92.5000112.5I74 L76 F97 T98 L99 H100 K104 L134 I137 I138I74-Y102 HydrophobicContact CD1-CE1 4.33Å; I74-Y102 HydrophobicContact CD1-CE2 4.12Å; I74-Y102 WeakPolarHBondContact CD1-OH 3.43Å; I74-Y102 HydrophobicContact CG2-CD2 4.21Å; I74-Y102 HydrophobicContact CG2-CE2 3.92Å; L76-Y102 HydrophobicContact CD2-CD1 4.28Å; L76-Y102 HydrophobicContact CD2-CD2 3.95Å; L76-Y102 HydrophobicContact CD2-CG 3.66Å; F97-Y102 HydrophobicContact CB-CD2 4.11Å; F97-Y102 AromaticContact CD2-CD2 3.54Å; F97-Y102 HydrophobicContact CD2-CD2 3.54Å; F97-Y102 AromaticContact CD2-CE2 3.98Å; F97-Y102 HydrophobicContact CD2-CE2 3.98Å; F97-Y102 HydrophobicContact CE2-CD2 4.06Å; F97-Y102 HydrophobicContact CE2-CE2 4.09Å; F97-Y102 AromaticContact CG-CD2 3.83Å; F97-Y102 HydrophobicContact CG-CD2 3.83Å; T98-Y102 PolarHBondContact O-N 2.93Å; L99-Y102 PolarHBondContact O-N 3.38Å; H100-Y102 VanDerWaalsContact C-N 3.29Å; H100-Y102 PolarHBondContact O-N 3.38Å; Y102-K104 PolarHBondContact O-N 3.19Å; Y102-L134 HydrophobicContact CD1-CD1 3.51Å; Y102-L134 HydrophobicContact CE1-CD1 3.5Å; Y102-I137 HydrophobicContact CE1-CG2 3.92Å; Y102-I138 HydrophobicContact CE1-CG2 3.96Å
103V98.3Very high97.2Very high12 Ų1259.3 Ų59.37%0.07330%0.301CS..THydrogen-bonded Turntrans-85.77.8175.9-52.70000113.9L99 H100 E101 E105 L130 K133 L134 I137L99-V103 HydrophobicContact CD1-CG1 4.43Å; L99-V103 WeakPolarHBondContact O-CG2 3.2Å; L99-V103 PolarHBondContact O-N 3.38Å; L99-V103 VanDerWaalsContact O-N 3.16Å; H100-V103 CarbonylContact O-C 3.54Å; H100-V103 WeakPolarHBondContact O-CG2 3.23Å; H100-V103 PolarHBondContact O-N 2.87Å; E101-V103 VanDerWaalsContact C-N 3.35Å; E101-V103 PolarHBondContact O-N 3.25Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 HydrophobicContact CG2-CB 4.2Å; V103-E105 HydrophobicContact CG2-CG 4.18Å; V103-E105 PolarHBondContact O-N 3.33Å; V103-L130 HydrophobicContact CG2-CD2 3.68Å; V103-K133 HydrophobicContact CB-CB 3.98Å; V103-K133 HydrophobicContact CG1-CB 4Å; V103-K133 HydrophobicContact CG2-CD 4.46Å; V103-L134 HydrophobicContact CG1-CB 4.14Å; V103-I137 HydrophobicContact CB-CD1 4.2Å; V103-I137 HydrophobicContact CG1-CD1 4.21Å
104K97.2Very high97.3Very high188 Ų18860.7 Ų60.782%0.81733%0.328SS*.THydrogen-bonded Turntrans62.734.9178.1-51.8174.7-176.2170.20113.8H100 E101 Y102H100-K104 PolarHBondContact O-N 2.96Å; E101-K104 PolarHBondContact O-N 3.47Å; E101-K104 VanDerWaalsContact O-N 3.1Å; Y102-K104 PolarHBondContact O-N 3.19Å
105E96.8Very high97.4Very high76 Ų7654.4 Ų54.436%0.35530%0.3SS..  trans-113.7152.4173.2-66.9-169.4168.800111.2H100 V103 K133H100-E105 CarbonylContact C-O 3.59Å; H100-E105 VanDerWaalsContact C-O 3.27Å; H100-E105 WeakPolarHBondContact CB-O 3.44Å; H100-E105 PolarHBondContact O-N 3.44Å; H100-E105 VanDerWaalsContact O-O 3.1Å; V103-E105 VanDerWaalsContact C-N 3.33Å; V103-E105 HydrophobicContact CG2-CB 4.2Å; V103-E105 HydrophobicContact CG2-CG 4.18Å; V103-E105 PolarHBondContact O-N 3.33Å; E105-K133 WeakPolarHBondContact OE1-CD 3.35Å; E105-K133 WeakPolarHBondContact OE1-CE 3.4Å; E105-K133 IonicContact OE1-NZ 2.85Å; E105-K133 PolarHBondContact OE1-NZ 2.95Å; E105-K133 IonicContact OE2-NZ 3.1Å; E105-K133 PolarHBondContact OE2-NZ 3.03Å
106A95.6Very high97.4Very high98 Ų9855.7 Ų55.781%0.8131%0.311SS*.SBendtrans-85.7138.8171.100000109.1
107G96.7Very high97.3Very high33 Ų3359 Ų5934%0.3432%0.324SS..  trans137.5-175.5177.300000112.9H100H100-G107 VanDerWaalsContact CB-O 3.27Å; H100-G107 WeakPolarHBondContact CB-O 3.43Å; H100-G107 VanDerWaalsContact CG-C 3.45Å
108E97.3Very high97.3Very high82 Ų8262.6 Ų62.638%0.38334%0.342SS..  trans-145.8150.5173.9-61.5-174.3142.600107.4S79 Y80 H100 I110S79-E108 WeakPolarHBondContact CA-OE1 3.26Å; S79-E108 VanDerWaalsContact CB-OE1 3.23Å; S79-E108 WeakPolarHBondContact CB-OE1 3.39Å; Y80-E108 VanDerWaalsContact CB-OE1 3.29Å; Y80-E108 WeakPolarHBondContact CB-OE1 3.31Å; Y80-E108 HydrophobicContact CD2-CG 3.74Å; Y80-E108 WeakPolarHBondContact CD2-OE1 3.48Å; Y80-E108 HydrophobicContact CE2-CG 4.12Å; Y80-E108 PolarHBondContact N-OE1 2.6Å; H100-E108 WeakPolarHBondContact ND1-CA 3.32Å; H100-E108 PolarHBondContact ND1-N 3.47Å; E108-I110 PolarHBondContact O-N 2.94Å
109V98.2Very high97.3Very high3 Ų366.3 Ų66.32%0.01836%0.36CS..  trans-68.6125.9179.6-179.50000109.6R13 M78 L99 D111 T123 E126 L127 L130R13-V109 HydrophobicContact CG-CG1 4.06Å; R13-V109 PolarHBondContact NH1-O 3.41Å; M78-V109 HydrophobicContact CB-CB 4.2Å; M78-V109 PolarHBondContact O-N 3.45Å; M78-V109 HydrophobicContact SD-CB 4.03Å; M78-V109 HydrophobicContact SD-CG1 4.22Å; M78-V109 HydrophobicContact SD-CG2 3.84Å; L99-V109 HydrophobicContact CD2-CG2 4.23Å; V109-D111 PolarHBondContact O-N 2.85Å; V109-T123 HydrophobicContact CG1-CG2 3.98Å; V109-E126 WeakPolarHBondContact CA-OE1 3.23Å; V109-L127 HydrophobicContact CG1-CD2 3.91Å; V109-L127 HydrophobicContact CG1-CG 4.13Å; V109-L127 HydrophobicContact CG2-CD2 4.01Å; V109-L130 HydrophobicContact CG2-CD1 3.79Å
110I95.7Very high97.2Very high67 Ų6766.7 Ų66.734%0.34436%0.362SS..  trans-55.6133.8-178.5-66.4169.4000109.6R13 E108 P112 H122 E126R13-I110 VanDerWaalsContact CD-O 3.31Å; R13-I110 WeakPolarHBondContact CD-O 3.45Å; E108-I110 PolarHBondContact O-N 2.94Å; I110-P112 WeakPolarHBondContact O-CD 3.27Å; I110-H122 WeakPolarHBondContact CD1-CD2 3.35Å; I110-H122 WeakPolarHBondContact CD1-NE2 3.39Å; I110-E126 PolarHBondContact N-OE2 3.08Å
111D97Very high97.2Very high76 Ų7668.3 Ų68.341%0.40637%0.373SS..  trans-87.1110.1177.5-1626.8000110.9R13 V109 Y113R13-D111 IonicContact CZ-OD1 2.65Å; R13-D111 IonicContact CZ-OD2 3.21Å; R13-D111 IonicContact NE-OD1 3.91Å; R13-D111 PolarHBondContact NE-OD1 3.21Å; R13-D111 VanDerWaalsContact NE-OD1 3.1Å; R13-D111 IonicContact NH2-OD1 3.59Å; R13-D111 PolarHBondContact NH2-OD1 2.86Å; R13-D111 IonicContact NH2-OD2 3.57Å; R13-D111 PolarHBondContact NH2-OD2 2.92Å; V109-D111 PolarHBondContact O-N 2.85Å; D111-Y113 VanDerWaalsContact C-N 3.28Å; D111-Y113 PolarHBondContact O-N 3.45Å; D111-Y113 PolarHBondContact OD1-N 3.49Å
112P97.5Very high97.3Very high1 Ų169.9 Ų69.91%0.00638%0.38CS..  trans-85.8-1.7-179.237.6-37.9000112.6C12 I110 G114 G115 M119 Y120 T123C12-P112 HydrophobicContact CB-CG 4.26Å; I110-P112 WeakPolarHBondContact O-CD 3.27Å; P112-G114 PolarHBondContact O-N 3.18Å; P112-G115 WeakPolarHBondContact O-CA 3.45Å; P112-G115 PolarHBondContact O-N 3.46Å; P112-M119 HydrophobicContact CB-CB 4.27Å; P112-Y120 HydrophobicContact CB-CD1 3.98Å; P112-Y120 HydrophobicContact CB-CD2 3.66Å; P112-Y120 HydrophobicContact CB-CE1 4.04Å; P112-Y120 HydrophobicContact CB-CE2 3.7Å; P112-Y120 HydrophobicContact CB-CG 3.81Å; P112-Y120 HydrophobicContact CG-CD1 3.82Å; P112-Y120 HydrophobicContact CG-CD2 4.36Å; P112-Y120 HydrophobicContact CG-CE1 3.68Å; P112-Y120 HydrophobicContact CG-CE2 4.22Å; P112-Y120 HydrophobicContact CG-CG 4.17Å; P112-Y120 WeakPolarHBondContact O-CE2 3.47Å; P112-T123 WeakPolarHBondContact CB-OG1 3.48Å; P112-T123 HydrophobicContact CG-CG2 4.17Å
113Y95.8Very high97.3Very high174 Ų17467.4 Ų67.468%0.68237%0.37SS*.THydrogen-bonded Turntrans-56.9125.3-172.3-177.7-100.4000112.5D111 G115D111-Y113 VanDerWaalsContact C-N 3.28Å; D111-Y113 PolarHBondContact O-N 3.45Å; D111-Y113 PolarHBondContact OD1-N 3.49Å; Y113-G115 PolarHBondContact O-N 3.35Å
114G95.1Very high97.3Very high76 Ų7668.3 Ų68.378%0.78437%0.373SS*.THydrogen-bonded Turntrans744.1-17600000114.7P112P112-G114 PolarHBondContact O-N 3.18Å
115G96.6Very high97.3Very high22 Ų2264.7 Ų64.723%0.22736%0.358CS..  trans-86.5-170.4177.800000114.2P112 Y113 M119P112-G115 WeakPolarHBondContact O-CA 3.45Å; P112-G115 PolarHBondContact O-N 3.46Å; Y113-G115 PolarHBondContact O-N 3.35Å; G115-M119 VanDerWaalsContact CA-SD 3.57Å
116T97.7Very high97.4Very high70 Ų7062.6 Ų62.643%0.42935%0.349SS..  trans-90166.7178.973.10000111.8E118 M119 Y120T116-E118 WeakPolarHBondContact CB-OE2 3.26Å; T116-E118 PolarHBondContact O-N 3.4Å; T116-E118 PolarHBondContact OG1-N 3.35Å; T116-E118 PolarHBondContact OG1-OE2 3.48Å; T116-M119 WeakPolarHBondContact O-CB 3.38Å; T116-M119 PolarHBondContact O-N 3.48Å; T116-Y120 WeakPolarHBondContact O-CD2 3.38Å; T116-Y120 PolarHBondContact O-N 3.26Å
117K97Very high97.6Very high70 Ų7057.9 Ų57.930%0.30431%0.31SS..Hα-helixtrans-54.3-37.1175.5-175.8164.6179.61580112Y46 D49 M119 Y120 V121Y46-K117 HydrophobicContact CD1-CB 3.94Å; Y46-K117 HydrophobicContact CD1-CD 4.2Å; Y46-K117 HydrophobicContact CD1-CG 4.04Å; Y46-K117 HydrophobicContact CE1-CB 3.79Å; Y46-K117 HydrophobicContact CE1-CD 4.36Å; Y46-K117 HydrophobicContact CE1-CG 4.31Å; Y46-K117 HydrophobicContact CG-CB 4.42Å; D49-K117 IonicContact OD2-NZ 2.86Å; D49-K117 PolarHBondContact OD2-NZ 3.42Å; K117-M119 VanDerWaalsContact C-N 3.3Å; K117-M119 PolarHBondContact O-N 2.85Å; K117-Y120 WeakPolarHBondContact O-CB 3.11Å; K117-Y120 PolarHBondContact O-N 3.46Å; K117-Y120 VanDerWaalsContact O-N 3.1Å; K117-V121 HydrophobicContact CG-CG2 4.45Å; K117-V121 WeakPolarHBondContact O-CG2 3.3Å; K117-V121 PolarHBondContact O-N 2.77Å
118E98Very high97.7Very high133 Ų13358.1 Ų58.162%0.62131%0.305SS*.Hα-helixtrans-61.8-36.4178.1-61.172.3-156.800112.4T116 Y120 V121 H122T116-E118 WeakPolarHBondContact CB-OE2 3.26Å; T116-E118 PolarHBondContact O-N 3.4Å; T116-E118 PolarHBondContact OG1-N 3.35Å; T116-E118 PolarHBondContact OG1-OE2 3.48Å; E118-Y120 VanDerWaalsContact C-N 3.33Å; E118-V121 PolarHBondContact O-N 3.15Å; E118-H122 PolarHBondContact O-N 2.85Å
119M98.3Very high97.7Very high79 Ų7956.7 Ų56.739%0.38930%0.304SS..Hα-helixtrans-66.8-37.2175-64.6178.562.500111.6P112 G115 T116 K117 H122 T123P112-M119 HydrophobicContact CB-CB 4.27Å; G115-M119 VanDerWaalsContact CA-SD 3.57Å; T116-M119 WeakPolarHBondContact O-CB 3.38Å; T116-M119 PolarHBondContact O-N 3.48Å; K117-M119 VanDerWaalsContact C-N 3.3Å; K117-M119 PolarHBondContact O-N 2.85Å; M119-H122 PolarHBondContact O-N 3.45Å; M119-T123 WeakPolarHBondContact O-CB 3.5Å; M119-T123 PolarHBondContact O-N 2.96Å; M119-T123 PolarHBondContact O-OG1 3.08Å
120Y98.5Very high97.8Very high10 Ų1056.7 Ų56.74%0.03930%0.303CS..Hα-helixtrans-67.6-40.7174.6-80.7-96.5000111.9C12 S44 Y46 V47 P112 T116 K117 E118 H122 T123 Y124C12-Y120 HydrophobicContact CB-CE1 4.1Å; C12-Y120 PolarHBondContact SG-OH 3.34Å; S44-Y120 WeakPolarHBondContact OG-CE1 3.4Å; Y46-Y120 AromaticContact CD2-CD2 3.45Å; Y46-Y120 HydrophobicContact CD2-CD2 3.45Å; Y46-Y120 VanDerWaalsContact CD2-CD2 3.45Å; Y46-Y120 AromaticContact CD2-CE2 3.53Å; Y46-Y120 HydrophobicContact CD2-CE2 3.53Å; Y46-Y120 HydrophobicContact CD2-CG 4.1Å; Y46-Y120 HydrophobicContact CE2-CD2 4.36Å; Y46-Y120 HydrophobicContact CE2-CE2 4.36Å; Y46-Y120 HydrophobicContact CG-CD2 4.04Å; Y46-Y120 HydrophobicContact CG-CE2 4.39Å; Y46-Y120 HydrophobicContact CG-CG 4.24Å; V47-Y120 HydrophobicContact CG2-CD1 3.96Å; V47-Y120 HydrophobicContact CG2-CE1 3.88Å; P112-Y120 HydrophobicContact CB-CD1 3.98Å; P112-Y120 HydrophobicContact CB-CD2 3.66Å; P112-Y120 HydrophobicContact CB-CE1 4.04Å; P112-Y120 HydrophobicContact CB-CE2 3.7Å; P112-Y120 HydrophobicContact CB-CG 3.81Å; P112-Y120 HydrophobicContact CG-CD1 3.82Å; P112-Y120 HydrophobicContact CG-CD2 4.36Å; P112-Y120 HydrophobicContact CG-CE1 3.68Å; P112-Y120 HydrophobicContact CG-CE2 4.22Å; P112-Y120 HydrophobicContact CG-CG 4.17Å; P112-Y120 WeakPolarHBondContact O-CE2 3.47Å; T116-Y120 WeakPolarHBondContact O-CD2 3.38Å; T116-Y120 PolarHBondContact O-N 3.26Å; K117-Y120 WeakPolarHBondContact O-CB 3.11Å; K117-Y120 PolarHBondContact O-N 3.46Å; K117-Y120 VanDerWaalsContact O-N 3.1Å; E118-Y120 VanDerWaalsContact C-N 3.33Å; Y120-H122 VanDerWaalsContact C-N 3.35Å; Y120-T123 WeakPolarHBondContact O-CB 3.47Å; Y120-T123 PolarHBondContact O-N 3.29Å; Y120-Y124 WeakPolarHBondContact O-CB 3.43Å; Y120-Y124 PolarHBondContact O-N 2.96Å
121V98.4Very high97.9Very high47 Ų4753.5 Ų53.529%0.28529%0.287SS..Hα-helixtrans-60.2-45.3173.2172.90000110.6L50 K117 E118 T123 Y124 E125L50-V121 HydrophobicContact CD2-CG2 4.12Å; K117-V121 HydrophobicContact CG-CG2 4.45Å; K117-V121 WeakPolarHBondContact O-CG2 3.3Å; K117-V121 PolarHBondContact O-N 2.77Å; E118-V121 PolarHBondContact O-N 3.15Å; V121-T123 VanDerWaalsContact C-N 3.33Å; V121-T123 PolarHBondContact O-N 3Å; V121-Y124 WeakPolarHBondContact O-CB 3.38Å; V121-Y124 PolarHBondContact O-N 3.47Å; V121-Y124 VanDerWaalsContact O-N 3.15Å; V121-E125 WeakPolarHBondContact O-CG 3.39Å; V121-E125 PolarHBondContact O-N 2.81Å
122H98.4Very high98Very high98 Ų9853.7 Ų53.745%0.45429%0.288SS..Hα-helixtrans-63.9-40.1177.7-170.551.3000112.4I110 E118 M119 Y120 Y124 E125 E126I110-H122 WeakPolarHBondContact CD1-CD2 3.35Å; I110-H122 WeakPolarHBondContact CD1-NE2 3.39Å; E118-H122 PolarHBondContact O-N 2.85Å; M119-H122 PolarHBondContact O-N 3.45Å; Y120-H122 VanDerWaalsContact C-N 3.35Å; H122-Y124 VanDerWaalsContact C-N 3.31Å; H122-Y124 PolarHBondContact O-N 2.69Å; H122-E125 IonicContact ND1-OE2 2.66Å; H122-E125 PolarHBondContact O-N 2.94Å; H122-E126 WeakPolarHBondContact O-CB 3.43Å; H122-E126 PolarHBondContact O-N 3.43Å
123T98.5Very high98Very high1 Ų156.2 Ų56.21%0.00630%0.299CS..Hα-helixtrans-62.2-39.7173.8-54.70000111.2R13 V109 P112 M119 Y120 V121 L127R13-T123 HydrophobicContact CG-CG2 3.99Å; V109-T123 HydrophobicContact CG1-CG2 3.98Å; P112-T123 WeakPolarHBondContact CB-OG1 3.48Å; P112-T123 HydrophobicContact CG-CG2 4.17Å; M119-T123 WeakPolarHBondContact O-CB 3.5Å; M119-T123 PolarHBondContact O-N 2.96Å; M119-T123 PolarHBondContact O-OG1 3.08Å; Y120-T123 WeakPolarHBondContact O-CB 3.47Å; Y120-T123 PolarHBondContact O-N 3.29Å; V121-T123 VanDerWaalsContact C-N 3.33Å; V121-T123 PolarHBondContact O-N 3Å; T123-L127 HydrophobicContact CG2-CD1 4.1Å; T123-L127 HydrophobicContact CG2-CG 4.47Å; T123-L127 WeakPolarHBondContact O-CB 3.2Å; T123-L127 VanDerWaalsContact O-CG 3.26Å; T123-L127 WeakPolarHBondContact O-CG 3.28Å; T123-L127 PolarHBondContact O-N 3.36Å
124Y98.7Very high98.2Very high31 Ų3148 Ų4812%0.12227%0.266CS..Hα-helixtrans-61.4-50.4175.1167.3-104.8000111.8L16 I20 L50 H54 L56 Y120 V121 H122 E126 L127 V128L16-Y124 HydrophobicContact CD1-CD2 4.13Å; L16-Y124 HydrophobicContact CD2-CD2 4.38Å; L16-Y124 HydrophobicContact CG-CD2 4.49Å; I20-Y124 HydrophobicContact CD1-CD2 3.81Å; I20-Y124 HydrophobicContact CD1-CE2 3.93Å; I20-Y124 HydrophobicContact CG1-CD2 4.31Å; I20-Y124 HydrophobicContact CG1-CE2 4Å; L50-Y124 HydrophobicContact CD2-CD1 4.38Å; L50-Y124 HydrophobicContact CD2-CG 4.23Å; H54-Y124 HydrophobicContact CB-CE2 4.45Å; H54-Y124 WeakPolarHBondContact CB-OH 3.38Å; H54-Y124 AromaticContact CD2-CD1 3.99Å; H54-Y124 AromaticContact CD2-CE1 3.38Å; H54-Y124 WeakPolarHBondContact CD2-CE1 3.34Å; H54-Y124 AromaticContact CD2-CE2 3.9Å; H54-Y124 AromaticContact CD2-CZ 3.33Å; H54-Y124 AromaticContact CE1-CE1 3.62Å; H54-Y124 AromaticContact CG-CE1 3.85Å; H54-Y124 AromaticContact CG-CZ 3.49Å; H54-Y124 VanDerWaalsContact CG-CZ 3.49Å; H54-Y124 AromaticContact ND1-CE1 3.98Å; H54-Y124 AromaticContact ND1-CZ 3.92Å; H54-Y124 PolarHBondContact ND1-OH 3.16Å; H54-Y124 AromaticContact NE2-CD1 3.74Å; H54-Y124 AromaticContact NE2-CE1 3.21Å; H54-Y124 WeakPolarHBondContact NE2-CE1 3.18Å; H54-Y124 AromaticContact NE2-CZ 3.69Å; L56-Y124 HydrophobicContact CD1-CE2 3.89Å; Y120-Y124 WeakPolarHBondContact O-CB 3.43Å; Y120-Y124 PolarHBondContact O-N 2.96Å; V121-Y124 WeakPolarHBondContact O-CB 3.38Å; V121-Y124 PolarHBondContact O-N 3.47Å; V121-Y124 VanDerWaalsContact O-N 3.15Å; H122-Y124 VanDerWaalsContact C-N 3.31Å; H122-Y124 PolarHBondContact O-N 2.69Å; Y124-E126 VanDerWaalsContact C-N 3.31Å; Y124-E126 PolarHBondContact O-N 3.37Å; Y124-L127 PolarHBondContact O-N 3.05Å; Y124-V128 HydrophobicContact CD1-CG2 4.5Å; Y124-V128 HydrophobicContact CD2-CG2 4.02Å; Y124-V128 HydrophobicContact CE1-CG2 4.04Å; Y124-V128 HydrophobicContact CE2-CG2 3.47Å; Y124-V128 VanDerWaalsContact CE2-CG2 3.47Å; Y124-V128 HydrophobicContact CG-CG2 4.49Å; Y124-V128 WeakPolarHBondContact O-CG2 3.33Å; Y124-V128 PolarHBondContact O-N 3.2Å
125E98.5Very high98.3Very high111 Ų11147.9 Ų47.952%0.51924%0.244SC..Hα-helixtrans-59.4-42.4178.7-69.1174.5163.800112V121 H122 V128 S129V121-E125 WeakPolarHBondContact O-CG 3.39Å; V121-E125 PolarHBondContact O-N 2.81Å; H122-E125 IonicContact ND1-OE2 2.66Å; H122-E125 PolarHBondContact O-N 2.94Å; E125-V128 PolarHBondContact O-N 3.02Å; E125-S129 PolarHBondContact O-N 3.37Å; E125-S129 VanDerWaalsContact O-N 3.08Å
126E98.7Very high98.4Very high32 Ų3253 Ų5315%0.1527%0.266CS..Hα-helixtrans-59.3-50.6173.8-179.3-178.6-162.100111.1H100 V109 I110 H122 Y124 V128 S129 L130H100-E126 IonicContact CE1-OE1 3.31Å; H100-E126 PolarHBondContact CE1-OE1 2.95Å; H100-E126 IonicContact NE2-OE1 2.99Å; V109-E126 WeakPolarHBondContact CA-OE1 3.23Å; I110-E126 PolarHBondContact N-OE2 3.08Å; H122-E126 WeakPolarHBondContact O-CB 3.43Å; H122-E126 PolarHBondContact O-N 3.43Å; Y124-E126 VanDerWaalsContact C-N 3.31Å; Y124-E126 PolarHBondContact O-N 3.37Å; E126-V128 PolarHBondContact O-N 3.36Å; E126-S129 WeakPolarHBondContact O-CB 3.42Å; E126-S129 PolarHBondContact O-N 2.95Å; E126-L130 HydrophobicContact CG-CD1 3.89Å; E126-L130 WeakPolarHBondContact O-CG 3.46Å; E126-L130 PolarHBondContact O-N 2.92Å
127L98.8Very high98.4Very high0 Ų053.4 Ų53.40%027%0.265CS..Hα-helixtrans-62.4-41.6179.6-76.1173.7000112.3L16 A17 I20 M78 L99 V109 T123 Y124 S129 L130 I131L16-L127 HydrophobicContact CB-CD1 4.12Å; L16-L127 HydrophobicContact CD2-CD1 3.97Å; L16-L127 HydrophobicContact CG-CD1 3.99Å; A17-L127 HydrophobicContact CB-CD1 4.25Å; A17-L127 HydrophobicContact CB-CD2 3.93Å; I20-L127 HydrophobicContact CD1-CB 3.73Å; M78-L127 HydrophobicContact SD-CD2 4.11Å; L99-L127 HydrophobicContact CD2-CD2 3.98Å; V109-L127 HydrophobicContact CG1-CD2 3.91Å; V109-L127 HydrophobicContact CG1-CG 4.13Å; V109-L127 HydrophobicContact CG2-CD2 4.01Å; T123-L127 HydrophobicContact CG2-CD1 4.1Å; T123-L127 HydrophobicContact CG2-CG 4.47Å; T123-L127 WeakPolarHBondContact O-CB 3.2Å; T123-L127 VanDerWaalsContact O-CG 3.26Å; T123-L127 WeakPolarHBondContact O-CG 3.28Å; T123-L127 PolarHBondContact O-N 3.36Å; Y124-L127 PolarHBondContact O-N 3.05Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 3.32Å; L127-L130 PolarHBondContact O-N 3.41Å; L127-I131 HydrophobicContact CB-CD1 4.33Å; L127-I131 VanDerWaalsContact O-CB 3.25Å; L127-I131 WeakPolarHBondContact O-CB 3.31Å; L127-I131 WeakPolarHBondContact O-CD1 3.44Å; L127-I131 WeakPolarHBondContact O-CG1 3.21Å; L127-I131 PolarHBondContact O-N 2.96Å
128V98.7Very high98.3Very high38 Ų3851.3 Ų51.323%0.2326%0.257CS..Hα-helixtrans-57.8-48.3174.8169.20000110.3I20 Y124 E125 E126 L130 I131 L132I20-V128 HydrophobicContact CD1-CG2 3.97Å; I20-V128 HydrophobicContact CG1-CG2 4.38Å; I20-V128 HydrophobicContact CG2-CG2 4.16Å; Y124-V128 HydrophobicContact CD1-CG2 4.5Å; Y124-V128 HydrophobicContact CD2-CG2 4.02Å; Y124-V128 HydrophobicContact CE1-CG2 4.04Å; Y124-V128 HydrophobicContact CE2-CG2 3.47Å; Y124-V128 VanDerWaalsContact CE2-CG2 3.47Å; Y124-V128 HydrophobicContact CG-CG2 4.49Å; Y124-V128 WeakPolarHBondContact O-CG2 3.33Å; Y124-V128 PolarHBondContact O-N 3.2Å; E125-V128 PolarHBondContact O-N 3.02Å; E126-V128 PolarHBondContact O-N 3.36Å; V128-L130 PolarHBondContact O-N 3.1Å; V128-I131 PolarHBondContact O-N 3.38Å; V128-L132 HydrophobicContact CG1-CD1 4.06Å; V128-L132 VanDerWaalsContact O-CG 3.3Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 3.48Å
129S98.6Very high98Very high52 Ų5250.5 Ų50.536%0.36427%0.265SS..Hα-helixtrans-58.7-48.1178.1-178.40000112.2E125 E126 L127 K133E125-S129 PolarHBondContact O-N 3.37Å; E125-S129 VanDerWaalsContact O-N 3.08Å; E126-S129 WeakPolarHBondContact O-CB 3.42Å; E126-S129 PolarHBondContact O-N 2.95Å; L127-S129 VanDerWaalsContact C-N 3.33Å; L127-S129 PolarHBondContact O-N 3.32Å; S129-K133 WeakPolarHBondContact O-CG 3.43Å; S129-K133 PolarHBondContact O-N 2.87Å; S129-K133 PolarHBondContact OG-NZ 2.96Å
130L98.8Very high98Very high2 Ų249.1 Ų49.11%0.0126%0.259CS..Hα-helixtrans-66.9-39180-66.7169.2000112.4L99 H100 V103 V109 E126 L127 V128 K133 L134L99-L130 HydrophobicContact CD1-CB 4.49Å; L99-L130 HydrophobicContact CD2-CB 3.75Å; L99-L130 HydrophobicContact CD2-CD1 3.8Å; L99-L130 HydrophobicContact CD2-CG 4.41Å; L99-L130 HydrophobicContact CG-CB 3.97Å; L99-L130 HydrophobicContact CG-CD1 4.12Å; H100-L130 VanDerWaalsContact CE1-CD1 3.48Å; H100-L130 WeakPolarHBondContact CE1-CD1 3.39Å; V103-L130 HydrophobicContact CG2-CD2 3.68Å; V109-L130 HydrophobicContact CG2-CD1 3.79Å; E126-L130 HydrophobicContact CG-CD1 3.89Å; E126-L130 WeakPolarHBondContact O-CG 3.46Å; E126-L130 PolarHBondContact O-N 2.92Å; L127-L130 PolarHBondContact O-N 3.41Å; V128-L130 PolarHBondContact O-N 3.1Å; L130-K133 PolarHBondContact O-N 3.36Å; L130-L134 PolarHBondContact O-N 3.23Å
131I98.7Very high97.9Very high0 Ų051.2 Ų51.20%027%0.27CS..Hα-helixtrans-72.4-33.4-178.4-69.4166.4000111.4A17 I20 A21 V24 M25 L127 V128 L134 K135A17-I131 HydrophobicContact CB-CD1 4.02Å; A17-I131 WeakPolarHBondContact O-CD1 3.38Å; I20-I131 HydrophobicContact CB-CD1 3.66Å; I20-I131 HydrophobicContact CD1-CD1 4.09Å; I20-I131 HydrophobicContact CG1-CD1 4.5Å; I20-I131 HydrophobicContact CG2-CB 4.22Å; I20-I131 HydrophobicContact CG2-CD1 3.7Å; I20-I131 HydrophobicContact CG2-CG2 4.04Å; A21-I131 HydrophobicContact CB-CG2 4Å; V24-I131 HydrophobicContact CG2-CG2 3.64Å; M25-I131 HydrophobicContact CE-CG2 3.69Å; L127-I131 HydrophobicContact CB-CD1 4.33Å; L127-I131 VanDerWaalsContact O-CB 3.25Å; L127-I131 WeakPolarHBondContact O-CB 3.31Å; L127-I131 WeakPolarHBondContact O-CD1 3.44Å; L127-I131 WeakPolarHBondContact O-CG1 3.21Å; L127-I131 PolarHBondContact O-N 2.96Å; V128-I131 PolarHBondContact O-N 3.38Å; I131-L134 WeakPolarHBondContact O-CB 3.43Å; I131-L134 PolarHBondContact O-N 2.66Å; I131-K135 WeakPolarHBondContact O-CB 3.44Å; I131-K135 PolarHBondContact O-N 3.42Å
132L98.5Very high97.9Very high80 Ų8051.4 Ų51.442%0.41927%0.269SS..Hα-helixtrans-65.4-39.1171.1-69.9175.7000111.6V24 V128 K135 D136V24-L132 HydrophobicContact CG1-CD2 4.46Å; V128-L132 HydrophobicContact CG1-CD1 4.06Å; V128-L132 VanDerWaalsContact O-CG 3.3Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 3.48Å; L132-K135 WeakPolarHBondContact O-CB 3.47Å; L132-K135 PolarHBondContact O-N 2.92Å; L132-D136 PolarHBondContact O-N 3.03Å; L132-D136 VanDerWaalsContact O-N 3.1Å
133K98.6Very high97.9Very high55 Ų5548.6 Ų48.624%0.23926%0.259CS..Hα-helixtrans-66.6-39.1172.8-65.8166.5-169161.10112.2V103 E105 S129 L130 K135 D136 I137V103-K133 HydrophobicContact CB-CB 3.98Å; V103-K133 HydrophobicContact CG1-CB 4Å; V103-K133 HydrophobicContact CG2-CD 4.46Å; E105-K133 WeakPolarHBondContact OE1-CD 3.35Å; E105-K133 WeakPolarHBondContact OE1-CE 3.4Å; E105-K133 IonicContact OE1-NZ 2.85Å; E105-K133 PolarHBondContact OE1-NZ 2.95Å; E105-K133 IonicContact OE2-NZ 3.1Å; E105-K133 PolarHBondContact OE2-NZ 3.03Å; S129-K133 WeakPolarHBondContact O-CG 3.43Å; S129-K133 PolarHBondContact O-N 2.87Å; S129-K133 PolarHBondContact OG-NZ 2.96Å; L130-K133 PolarHBondContact O-N 3.36Å; K133-K135 VanDerWaalsContact C-N 3.28Å; K133-K135 PolarHBondContact O-N 3.13Å; K133-D136 PolarHBondContact O-N 3.32Å; K133-I137 WeakPolarHBondContact O-CG1 3.43Å; K133-I137 PolarHBondContact O-N 3.15Å
134L98.4Very high97.8Very high0 Ų051.6 Ų51.60%027%0.274CS..Hα-helixtrans-57.4-46172.5173.163.2000110.2F5 M25 L76 L99 Y102 V103 L130 I131 D136 I137 I138F5-L134 HydrophobicContact CE1-CD2 4.33Å; F5-L134 HydrophobicContact CZ-CD2 4.1Å; M25-L134 HydrophobicContact CE-CD2 4.2Å; M25-L134 HydrophobicContact CE-CG 4.36Å; L76-L134 HydrophobicContact CD1-CD1 4.04Å; L76-L134 HydrophobicContact CD1-CD2 3.62Å; L76-L134 HydrophobicContact CD1-CG 4.49Å; L99-L134 HydrophobicContact CD1-CD2 4.49Å; Y102-L134 HydrophobicContact CD1-CD1 3.51Å; Y102-L134 HydrophobicContact CE1-CD1 3.5Å; V103-L134 HydrophobicContact CG1-CB 4.14Å; L130-L134 PolarHBondContact O-N 3.23Å; I131-L134 WeakPolarHBondContact O-CB 3.43Å; I131-L134 PolarHBondContact O-N 2.66Å; L134-D136 VanDerWaalsContact C-N 3.32Å; L134-D136 PolarHBondContact O-N 3.2Å; L134-I137 WeakPolarHBondContact O-CB 3.1Å; L134-I137 PolarHBondContact O-N 3.39Å; L134-I138 HydrophobicContact CD1-CD1 4.22Å; L134-I138 HydrophobicContact CD1-CG2 4Å; L134-I138 HydrophobicContact CG-CD1 4.15Å; L134-I138 WeakPolarHBondContact O-CG1 3.21Å; L134-I138 PolarHBondContact O-N 2.84Å; L134-I138 VanDerWaalsContact O-N 3.15Å
135K98.2Very high97.8Very high74 Ų7453 Ų5332%0.32229%0.285SS..Hα-helixtrans-55.6-45.5176.4178.6175.9177.2168.20112V24 M25 I131 L132 K133 I137 I138 C139V24-K135 WeakPolarHBondContact O-CE 3.38Å; V24-K135 PolarHBondContact O-NZ 3.28Å; M25-K135 HydrophobicContact CE-CB 4.19Å; M25-K135 HydrophobicContact CG-CB 3.88Å; M25-K135 HydrophobicContact CG-CD 3.85Å; M25-K135 HydrophobicContact CG-CG 3.69Å; M25-K135 WeakPolarHBondContact SD-CA 3.42Å; M25-K135 HydrophobicContact SD-CB 3.54Å; M25-K135 VanDerWaalsContact SD-CB 3.54Å; M25-K135 HydrophobicContact SD-CG 3.93Å; I131-K135 WeakPolarHBondContact O-CB 3.44Å; I131-K135 PolarHBondContact O-N 3.42Å; L132-K135 WeakPolarHBondContact O-CB 3.47Å; L132-K135 PolarHBondContact O-N 2.92Å; K133-K135 VanDerWaalsContact C-N 3.28Å; K133-K135 PolarHBondContact O-N 3.13Å; K135-I137 PolarHBondContact O-N 3.28Å; K135-I138 PolarHBondContact O-N 2.86Å; K135-C139 HydrophobicContact CG-CB 4.24Å; K135-C139 VanDerWaalsContact O-CB 3.28Å; K135-C139 WeakPolarHBondContact O-CB 3.18Å; K135-C139 PolarHBondContact O-N 3.21Å
136D97.9Very high97.7Very high129 Ų12948.9 Ų48.969%0.6927%0.268SS*.Hα-helixtrans-64.5-19.7178.7-65.5-22.8000113.7L132 K133 L134L132-D136 PolarHBondContact O-N 3.03Å; L132-D136 VanDerWaalsContact O-N 3.1Å; K133-D136 PolarHBondContact O-N 3.32Å; L134-D136 VanDerWaalsContact C-N 3.32Å; L134-D136 PolarHBondContact O-N 3.2Å
137I97.4Very high97.7Very high79 Ų7950.2 Ų50.241%0.40528%0.277SS..Hα-helixtrans-89-35.3179-67.9165.2000111.8Y102 V103 K133 L134 K135Y102-I137 HydrophobicContact CE1-CG2 3.92Å; V103-I137 HydrophobicContact CB-CD1 4.2Å; V103-I137 HydrophobicContact CG1-CD1 4.21Å; K133-I137 WeakPolarHBondContact O-CG1 3.43Å; K133-I137 PolarHBondContact O-N 3.15Å; L134-I137 WeakPolarHBondContact O-CB 3.1Å; L134-I137 PolarHBondContact O-N 3.39Å; K135-I137 PolarHBondContact O-N 3.28Å
138I96Very high97.6Very high27 Ų2754.3 Ų54.314%0.13830%0.3CS..Hα-helixtrans-110.7-10.9-168.972.5173.4000114.8I3 M25 I74 Y102 L134 K135I3-I138 HydrophobicContact CD1-CD1 3.31Å; M25-I138 HydrophobicContact SD-CD1 3.8Å; M25-I138 HydrophobicContact SD-CG1 4.06Å; I74-I138 HydrophobicContact CD1-CG2 4.49Å; Y102-I138 HydrophobicContact CE1-CG2 3.96Å; L134-I138 HydrophobicContact CD1-CD1 4.22Å; L134-I138 HydrophobicContact CD1-CG2 4Å; L134-I138 HydrophobicContact CG-CD1 4.15Å; L134-I138 WeakPolarHBondContact O-CG1 3.21Å; L134-I138 PolarHBondContact O-N 2.84Å; L134-I138 VanDerWaalsContact O-N 3.15Å; K135-I138 PolarHBondContact O-N 2.86Å
139C90.9Very high97.5Very high116 Ų11655.8 Ų55.878%0.78431%0.306SS*.  trans-108.90177.3-59.90000111.2H28 K135H28-C139 VanDerWaalsContact CE1-SG 3.53Å; K135-C139 HydrophobicContact CG-CB 4.24Å; K135-C139 VanDerWaalsContact O-CB 3.28Å; K135-C139 WeakPolarHBondContact O-CB 3.18Å; K135-C139 PolarHBondContact O-N 3.21Å

Retrieved 139 of 139 residues in 127.5 ms (Link to these results)

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