A0A3Q0KIS2_SCHMA Loading...

Sm 20.8; Tegumental antigen Sm20.8; Tegumental protein Sm 20.8

AlphaFold DB (P91804), UniProt , Accession A0A3Q0KIS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.4Very low81.7Confident235 Ų23556.3 Ų56.3100%1.15829%0.29SS*.  0121.60-79.4-172-8800107P3M1-P3 WeakPolarHBondContact O-CD 3.43Å
2E54.7Low82.8Confident113 Ų11352.6 Ų52.653%0.52827%0.271SS..  trans-61.3126.2170.7-76.3170.2147.700108.4F4 V7E2-F4 PolarHBondContact O-N 3.2Å; E2-V7 HydrophobicContact CB-CG2 3.85Å
3P76.3Confident83.3Confident62 Ų6260.8 Ų60.840%0.40330%0.297SS..  trans-49.9129.6174.2-2933.3000110.4M1 V5 Q6 V7M1-P3 WeakPolarHBondContact O-CD 3.43Å; P3-V5 PolarHBondContact O-N 2.85Å; P3-Q6 HydrophobicContact CB-CG 4.33Å; P3-Q6 WeakPolarHBondContact O-CB 3.26Å; P3-Q6 PolarHBondContact O-N 2.8Å; P3-V7 PolarHBondContact O-N 3.31Å
4F87.4Confident83.7Confident88 Ų8863.6 Ų63.639%0.38631%0.314SS..Hα-helixtrans-43.3-39.6-177.8-76.1-86.5000112.9E2 Q6 V7 F8 W41 F45 F58 L62E2-F4 PolarHBondContact O-N 3.2Å; F4-Q6 VanDerWaalsContact C-N 3.32Å; F4-Q6 PolarHBondContact O-N 2.71Å; F4-V7 PolarHBondContact O-N 2.88Å; F4-F8 PolarHBondContact O-N 3.04Å; F4-W41 HydrophobicContact CB-CZ2 4.46Å; F4-W41 AromaticContact CD1-CE2 3.73Å; F4-W41 AromaticContact CD1-CZ2 3.66Å; F4-W41 HydrophobicContact CD1-CZ2 3.66Å; F4-W41 AromaticContact CD1-NE1 3.62Å; F4-W41 HydrophobicContact CE1-CZ2 4.46Å; F4-W41 AromaticContact CE1-NE1 3.54Å; F4-F45 AromaticContact CD1-CE2 3.83Å; F4-F45 HydrophobicContact CD1-CE2 3.83Å; F4-F45 AromaticContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CE1-CE2 4.08Å; F4-F45 HydrophobicContact CE1-CZ 4.18Å; F4-F45 HydrophobicContact CG-CZ 4.34Å; F4-F58 VanDerWaalsContact C-CZ 3.5Å; F4-F58 HydrophobicContact CB-CE2 4.21Å; F4-F58 HydrophobicContact CB-CZ 3.72Å; F4-F58 WeakPolarHBondContact O-CZ 3.13Å; F4-L62 HydrophobicContact CB-CD1 4.04Å
5V90.3Very high84Confident5 Ų562.9 Ų62.93%0.0333%0.329CS..Hα-helixtrans-55.4-43.3178.2179.10000112.5P3 F8 F9 F58 L62 L64 A69 M72P3-V5 PolarHBondContact O-N 2.85Å; V5-F8 PolarHBondContact O-N 2.69Å; V5-F9 HydrophobicContact CG1-CD2 3.91Å; V5-F9 HydrophobicContact CG1-CE2 3.63Å; V5-F9 WeakPolarHBondContact O-CD2 3.36Å; V5-F9 PolarHBondContact O-N 3.26Å; V5-F58 HydrophobicContact CG2-CE1 4.19Å; V5-L62 HydrophobicContact CG2-CD1 4.11Å; V5-L64 HydrophobicContact CG2-CD1 3.81Å; V5-A69 HydrophobicContact CG1-CB 4.14Å; V5-A69 WeakPolarHBondContact CG1-O 3.32Å; V5-A69 HydrophobicContact CG2-CB 4.48Å; V5-M72 HydrophobicContact CG1-CB 4.25Å; V5-M72 HydrophobicContact CG2-SD 4.21Å
6Q86.9Confident84.5Confident33 Ų3363.6 Ų63.615%0.15434%0.337CS..Hα-helixtrans-68.1-42.7-179.3-63.3169.410.100111.3P3 F4 F8 F9 A10 H76P3-Q6 HydrophobicContact CB-CG 4.33Å; P3-Q6 WeakPolarHBondContact O-CB 3.26Å; P3-Q6 PolarHBondContact O-N 2.8Å; F4-Q6 VanDerWaalsContact C-N 3.32Å; F4-Q6 PolarHBondContact O-N 2.71Å; Q6-F8 VanDerWaalsContact C-N 3.3Å; Q6-F8 PolarHBondContact O-N 3.19Å; Q6-F9 PolarHBondContact O-N 2.79Å; Q6-A10 WeakPolarHBondContact O-CB 3.21Å; Q6-A10 PolarHBondContact O-N 2.8Å; Q6-H76 VanDerWaalsContact CD-NE2 3.32Å; Q6-H76 HydrophobicContact CG-CB 4.22Å; Q6-H76 PolarHBondContact NE2-CD2 2.91Å; Q6-H76 PolarHBondContact NE2-CE1 3.34Å; Q6-H76 VanDerWaalsContact NE2-CE1 3.32Å; Q6-H76 PolarHBondContact NE2-ND1 2.87Å; Q6-H76 PolarHBondContact NE2-NE2 2.82Å; Q6-H76 PolarHBondContact OE1-CD2 2.84Å; Q6-H76 VanDerWaalsContact OE1-CD2 3.22Å; Q6-H76 PolarHBondContact OE1-NE2 2.71Å
7V91.3Very high85Confident5 Ų566.7 Ų66.73%0.0335%0.349CS..Hα-helixtrans-60.8-43.4176.8-175.80000109.9E2 P3 F4 F9 A10 I11 Y27 M37 W41E2-V7 HydrophobicContact CB-CG2 3.85Å; P3-V7 PolarHBondContact O-N 3.31Å; F4-V7 PolarHBondContact O-N 2.88Å; V7-F9 VanDerWaalsContact C-N 3.35Å; V7-F9 PolarHBondContact O-N 2.89Å; V7-A10 PolarHBondContact O-N 3.19Å; V7-A10 VanDerWaalsContact O-N 3.08Å; V7-I11 HydrophobicContact CG1-CD1 3.7Å; V7-I11 HydrophobicContact CG1-CG1 4.32Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.28Å; V7-I11 PolarHBondContact O-N 3.1Å; V7-Y27 HydrophobicContact CG1-CD1 4.23Å; V7-Y27 HydrophobicContact CG1-CE1 3.65Å; V7-M37 HydrophobicContact CB-CE 4.4Å; V7-M37 HydrophobicContact CG1-CE 3.36Å; V7-M37 HydrophobicContact CG2-CE 4.37Å; V7-W41 HydrophobicContact CB-CH2 3.92Å; V7-W41 HydrophobicContact CB-CZ2 3.7Å; V7-W41 HydrophobicContact CG1-CH2 3.86Å; V7-W41 HydrophobicContact CG1-CZ2 3.59Å
8F94.6Very high85.6Confident0 Ų064.6 Ų64.60%034%0.339CS..Hα-helixtrans-55.3-51.8177.7-175.9-80.9000110.9F4 V5 Q6 A10 I11 D12 I19 W41 I53 F55 F58F4-F8 PolarHBondContact O-N 3.04Å; V5-F8 PolarHBondContact O-N 2.69Å; Q6-F8 VanDerWaalsContact C-N 3.3Å; Q6-F8 PolarHBondContact O-N 3.19Å; F8-A10 VanDerWaalsContact C-N 3.27Å; F8-A10 PolarHBondContact O-N 2.96Å; F8-I11 PolarHBondContact O-N 3.35Å; F8-D12 HydrophobicContact CD1-CB 4.44Å; F8-D12 HydrophobicContact CE1-CB 4.14Å; F8-D12 WeakPolarHBondContact O-CB 3.33Å; F8-D12 PolarHBondContact O-N 3.26Å; F8-I19 HydrophobicContact CD2-CD1 3.86Å; F8-I19 HydrophobicContact CD2-CG1 4.31Å; F8-I19 HydrophobicContact CE1-CG2 4.47Å; F8-I19 HydrophobicContact CE2-CD1 4Å; F8-I19 HydrophobicContact CE2-CG1 3.92Å; F8-I19 HydrophobicContact CE2-CG2 4.19Å; F8-I19 HydrophobicContact CZ-CG2 4.14Å; F8-W41 HydrophobicContact CB-CH2 4.12Å; F8-W41 HydrophobicContact CB-CZ3 4.42Å; F8-W41 HydrophobicContact CD2-CZ3 4.27Å; F8-I53 HydrophobicContact CE2-CG2 4.11Å; F8-F55 AromaticContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CE2 4.41Å; F8-F55 HydrophobicContact CE1-CB 3.87Å; F8-F55 AromaticContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CG 4.12Å; F8-F55 HydrophobicContact CZ-CB 3.75Å; F8-F55 HydrophobicContact CZ-CD2 4.07Å; F8-F55 HydrophobicContact CZ-CG 4.41Å; F8-F58 HydrophobicContact CB-CD1 4.45Å; F8-F58 HydrophobicContact CB-CE1 3.99Å; F8-F58 HydrophobicContact CB-CE2 4.13Å; F8-F58 HydrophobicContact CB-CZ 3.8Å; F8-F58 HydrophobicContact CD2-CB 4.12Å; F8-F58 HydrophobicContact CD2-CD1 4.07Å; F8-F58 AromaticContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CE1 4.39Å; F8-F58 HydrophobicContact CD2-CE2 4.02Å; F8-F58 AromaticContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CZ 4.35Å; F8-F58 HydrophobicContact CE2-CB 4.06Å; F8-F58 HydrophobicContact CE2-CD2 4.35Å; F8-F58 HydrophobicContact CE2-CG 4.13Å; F8-F58 HydrophobicContact CG-CD1 4.26Å; F8-F58 HydrophobicContact CG-CD2 4.44Å; F8-F58 HydrophobicContact CG-CE1 4.29Å; F8-F58 HydrophobicContact CG-CE2 4.47Å; F8-F58 HydrophobicContact CG-CG 4.32Å; F8-F58 HydrophobicContact CG-CZ 4.38Å
9F92.2Very high86.2Confident33 Ų3361.2 Ų61.215%0.14532%0.322CS..Hα-helixtrans-69.1-21.6179.1-70.8-62.4000114.3V5 Q6 V7 F55 V70 K73V5-F9 HydrophobicContact CG1-CD2 3.91Å; V5-F9 HydrophobicContact CG1-CE2 3.63Å; V5-F9 WeakPolarHBondContact O-CD2 3.36Å; V5-F9 PolarHBondContact O-N 3.26Å; Q6-F9 PolarHBondContact O-N 2.79Å; V7-F9 VanDerWaalsContact C-N 3.35Å; V7-F9 PolarHBondContact O-N 2.89Å; F9-F55 HydrophobicContact CE1-CE2 4.01Å; F9-F55 HydrophobicContact CE1-CZ 4.26Å; F9-F55 AromaticContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CZ 4.29Å; F9-F55 HydrophobicContact CZ-CD2 4.29Å; F9-F55 HydrophobicContact CZ-CE1 4.47Å; F9-F55 AromaticContact CZ-CE2 3.4Å; F9-F55 HydrophobicContact CZ-CE2 3.4Å; F9-F55 VanDerWaalsContact CZ-CE2 3.4Å; F9-F55 AromaticContact CZ-CZ 3.51Å; F9-F55 HydrophobicContact CZ-CZ 3.51Å; F9-V70 HydrophobicContact CZ-CG2 4.22Å; F9-K73 HydrophobicContact CB-CD 4.08Å; F9-K73 HydrophobicContact CB-CG 4.3Å; F9-K73 HydrophobicContact CD1-CD 3.76Å; F9-K73 HydrophobicContact CD2-CB 3.58Å; F9-K73 HydrophobicContact CD2-CD 3.55Å; F9-K73 HydrophobicContact CD2-CG 3.58Å; F9-K73 HydrophobicContact CE1-CD 3.98Å; F9-K73 HydrophobicContact CE2-CB 3.55Å; F9-K73 HydrophobicContact CE2-CD 3.81Å; F9-K73 HydrophobicContact CE2-CG 3.99Å; F9-K73 HydrophobicContact CG-CB 4.42Å; F9-K73 HydrophobicContact CG-CD 3.52Å; F9-K73 HydrophobicContact CG-CG 3.95Å; F9-K73 HydrophobicContact CZ-CB 4.34Å; F9-K73 HydrophobicContact CZ-CD 4Å
10A91.5Very high86.7Confident40 Ų4059.6 Ų59.633%0.33131%0.314SS..Hα-helixtrans-78.4-27.2174.200000112.4Q6 V7 F8 Y27Q6-A10 WeakPolarHBondContact O-CB 3.21Å; Q6-A10 PolarHBondContact O-N 2.8Å; V7-A10 PolarHBondContact O-N 3.19Å; V7-A10 VanDerWaalsContact O-N 3.08Å; F8-A10 VanDerWaalsContact C-N 3.27Å; F8-A10 PolarHBondContact O-N 2.96Å; A10-Y27 HydrophobicContact CB-CD2 4.47Å; A10-Y27 HydrophobicContact CB-CE2 3.65Å
11I94.5Very high87.1Confident5 Ų556.9 Ų56.93%0.02630%0.3CS..Hα-helixtrans-81.4-44.1174.8-61162.5000110.6V7 F8 R13 I19 E23 L24 Y27 W41V7-I11 HydrophobicContact CG1-CD1 3.7Å; V7-I11 HydrophobicContact CG1-CG1 4.32Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.28Å; V7-I11 PolarHBondContact O-N 3.1Å; F8-I11 PolarHBondContact O-N 3.35Å; I11-R13 PolarHBondContact O-N 2.85Å; I11-I19 HydrophobicContact CB-CD1 4.39Å; I11-I19 HydrophobicContact CB-CG2 3.98Å; I11-I19 HydrophobicContact CD1-CD1 4.04Å; I11-I19 HydrophobicContact CG2-CB 3.79Å; I11-I19 HydrophobicContact CG2-CD1 4.16Å; I11-I19 HydrophobicContact CG2-CG2 3.69Å; I11-E23 HydrophobicContact CG2-CB 3.68Å; I11-L24 HydrophobicContact CD1-CB 4.44Å; I11-L24 HydrophobicContact CD1-CD1 3.48Å; I11-L24 VanDerWaalsContact CD1-CD1 3.48Å; I11-Y27 HydrophobicContact CD1-CD1 4.22Å; I11-Y27 HydrophobicContact CD1-CG 4.29Å; I11-Y27 HydrophobicContact CG1-CD1 3.93Å; I11-Y27 HydrophobicContact CG1-CD2 3.84Å; I11-Y27 HydrophobicContact CG1-CE2 4.47Å; I11-Y27 HydrophobicContact CG1-CG 3.54Å; I11-W41 HydrophobicContact CD1-CH2 4.33Å; I11-W41 HydrophobicContact CD1-CZ3 4.21Å
12D94.1Very high89.7Confident12 Ų1251.4 Ų51.46%0.06427%0.272CS..  trans-72.666.1178.9-172.225.4000112.1F8 D14 G15 T16 E17 I19F8-D12 HydrophobicContact CD1-CB 4.44Å; F8-D12 HydrophobicContact CE1-CB 4.14Å; F8-D12 WeakPolarHBondContact O-CB 3.33Å; F8-D12 PolarHBondContact O-N 3.26Å; D12-D14 VanDerWaalsContact C-N 3.31Å; D12-D14 PolarHBondContact O-N 2.86Å; D12-D14 VanDerWaalsContact OD1-OD1 3.05Å; D12-G15 PolarHBondContact O-N 3.07Å; D12-G15 PolarHBondContact OD1-N 3.15Å; D12-T16 PolarHBondContact OD1-N 3.16Å; D12-T16 PolarHBondContact OD1-OG1 2.88Å; D12-E17 VanDerWaalsContact OD2-CA 3.3Å; D12-E17 WeakPolarHBondContact OD2-CA 3.4Å; D12-E17 PolarHBondContact OD2-N 3Å; D12-I19 HydrophobicContact CB-CG2 3.61Å
13R89.2Confident91.7Very high160 Ų16048.8 Ų48.860%0.60426%0.26SS*.THydrogen-bonded Turntrans-70.3-27.2-174.6-66.8-176.5-177170.96.4113.3I11 E30I11-R13 PolarHBondContact O-N 2.85Å; R13-E30 IonicContact CZ-OE2 3.55Å; R13-E30 IonicContact NH1-OE2 3.51Å; R13-E30 IonicContact NH2-OE2 2.71Å; R13-E30 PolarHBondContact NH2-OE2 2.89Å
14D89.2Confident92.6Very high100 Ų10045.9 Ų45.954%0.53524%0.24SC..THydrogen-bonded Turntrans-88.7-8.9179.465.13.3000113D12 T16D12-D14 VanDerWaalsContact C-N 3.31Å; D12-D14 PolarHBondContact O-N 2.86Å; D12-D14 VanDerWaalsContact OD1-OD1 3.05Å; D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 HydrophobicContact CB-CG2 4.24Å; D14-T16 PolarHBondContact O-N 3.09Å; D14-T16 WeakPolarHBondContact OD1-CB 3.46Å; D14-T16 VanDerWaalsContact OD1-CG2 3.27Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.46Å; D14-T16 PolarHBondContact OD1-N 3.03Å; D14-T16 VanDerWaalsContact OD1-N 3.15Å; D14-T16 PolarHBondContact OD1-OG1 2.95Å; D14-T16 VanDerWaalsContact OD2-CG2 3.25Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.28Å
15G88.4Confident93Very high52 Ų5246.8 Ų46.854%0.53624%0.244SC..  trans69.328.7177.300000112.7D12 E17D12-G15 PolarHBondContact O-N 3.07Å; D12-G15 PolarHBondContact OD1-N 3.15Å; G15-E17 PolarHBondContact O-N 3.02Å
16T92.3Very high93.3Very high75 Ų7552.3 Ų52.346%0.4627%0.268SS..  trans-78.7-2178.956.20000113D12 D14 T18D12-T16 PolarHBondContact OD1-N 3.16Å; D12-T16 PolarHBondContact OD1-OG1 2.88Å; D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 HydrophobicContact CB-CG2 4.24Å; D14-T16 PolarHBondContact O-N 3.09Å; D14-T16 WeakPolarHBondContact OD1-CB 3.46Å; D14-T16 VanDerWaalsContact OD1-CG2 3.27Å; D14-T16 WeakPolarHBondContact OD1-CG2 3.46Å; D14-T16 PolarHBondContact OD1-N 3.03Å; D14-T16 VanDerWaalsContact OD1-N 3.15Å; D14-T16 PolarHBondContact OD1-OG1 2.95Å; D14-T16 VanDerWaalsContact OD2-CG2 3.25Å; D14-T16 WeakPolarHBondContact OD2-CG2 3.28Å; T16-T18 PolarHBondContact O-N 2.83Å; T16-T18 VanDerWaalsContact O-N 3.14Å; T16-T18 PolarHBondContact OG1-O 3.48Å
17E93.6Very high93.6Very high116 Ų11651.5 Ų51.554%0.54226%0.263SS..SBendtrans58.421.1-173.2-58.6-170.7157.600112.2D12 G15 T54 F55D12-E17 VanDerWaalsContact OD2-CA 3.3Å; D12-E17 WeakPolarHBondContact OD2-CA 3.4Å; D12-E17 PolarHBondContact OD2-N 3Å; G15-E17 PolarHBondContact O-N 3.02Å; E17-T54 CarbonylContact O-C 3.58Å; E17-F55 HydrophobicContact CB-CB 3.79Å; E17-F55 HydrophobicContact CG-CB 4.47Å; E17-F55 WeakPolarHBondContact O-CB 3.48Å; E17-F55 PolarHBondContact O-N 3.01Å
18T95.9Very high93.8Very high29 Ų2951.3 Ų51.318%0.17826%0.262CS..EExtended strand (participates in β ladder)trans-144.8114.4-179.6-60.50000109.9T16 R52 I53 T54T16-T18 PolarHBondContact O-N 2.83Å; T16-T18 VanDerWaalsContact O-N 3.14Å; T16-T18 PolarHBondContact OG1-O 3.48Å; T18-R52 HydrophobicContact CG2-CB 3.97Å; T18-R52 HydrophobicContact CG2-CG 4.28Å; T18-I53 WeakPolarHBondContact CA-O 3.35Å; T18-T54 HydrophobicContact CG2-CG2 4.34Å
19I96Very high93.8Very high0 Ų054.7 Ų54.70%029%0.29CS..EExtended strand (participates in β ladder)trans-97.1140.2174.166.8176.1000110.5F8 I11 D12 W41 R52 I53F8-I19 HydrophobicContact CD2-CD1 3.86Å; F8-I19 HydrophobicContact CD2-CG1 4.31Å; F8-I19 HydrophobicContact CE1-CG2 4.47Å; F8-I19 HydrophobicContact CE2-CD1 4Å; F8-I19 HydrophobicContact CE2-CG1 3.92Å; F8-I19 HydrophobicContact CE2-CG2 4.19Å; F8-I19 HydrophobicContact CZ-CG2 4.14Å; I11-I19 HydrophobicContact CB-CD1 4.39Å; I11-I19 HydrophobicContact CB-CG2 3.98Å; I11-I19 HydrophobicContact CD1-CD1 4.04Å; I11-I19 HydrophobicContact CG2-CB 3.79Å; I11-I19 HydrophobicContact CG2-CD1 4.16Å; I11-I19 HydrophobicContact CG2-CG2 3.69Å; D12-I19 HydrophobicContact CB-CG2 3.61Å; I19-W41 HydrophobicContact CD1-CE3 3.99Å; I19-W41 HydrophobicContact CD1-CZ3 3.6Å; I19-R52 CarbonylContact O-C 3.57Å; I19-R52 WeakPolarHBondContact O-CA 3.34Å; I19-I53 HydrophobicContact CD1-CB 4.27Å; I19-I53 HydrophobicContact CD1-CD1 4.22Å; I19-I53 HydrophobicContact CG1-CB 3.71Å; I19-I53 HydrophobicContact CG1-CD1 4.34Å; I19-I53 HydrophobicContact CG1-CG2 4.34Å; I19-I53 PolarHBondContact N-O 3.26Å; I19-I53 PolarHBondContact O-N 3.25Å
20T96.3Very high93.9Very high29 Ų2957.7 Ų57.718%0.17831%0.305CS..EExtended strand (participates in β ladder)trans-87.8157.2171.961.60000110.9E22 E23 L24 G51T20-E22 PolarHBondContact O-N 3.4Å; T20-E23 WeakPolarHBondContact CB-OE2 3.5Å; T20-E23 PolarHBondContact N-OE2 3.42Å; T20-E23 PolarHBondContact O-N 2.88Å; T20-E23 WeakPolarHBondContact OG1-CB 3.5Å; T20-E23 WeakPolarHBondContact OG1-CG 3.28Å; T20-E23 PolarHBondContact OG1-N 2.84Å; T20-E23 VanDerWaalsContact OG1-N 3.13Å; T20-E23 PolarHBondContact OG1-OE2 3.29Å; T20-L24 PolarHBondContact O-N 3.5Å; T20-G51 WeakPolarHBondContact CA-O 3.46Å
21V94.3Very high93.9Very high3 Ų359.5 Ų59.52%0.01831%0.309CS..Hα-helixtrans-61.8-32.4173.5171.40000111.2L24 K25 V38 K42 G51V21-L24 PolarHBondContact O-N 3.23Å; V21-K25 HydrophobicContact CG1-CD 4.34Å; V21-K25 WeakPolarHBondContact O-CG 3.44Å; V21-K25 PolarHBondContact O-N 3.49Å; V21-V38 HydrophobicContact CG1-CG1 4.39Å; V21-K42 HydrophobicContact CG1-CD 3.79Å; V21-K42 HydrophobicContact CG1-CG 4.47Å; V21-K42 HydrophobicContact CG2-CD 3.99Å; V21-K42 HydrophobicContact CG2-CG 4Å; V21-G51 PolarHBondContact N-O 2.94Å
22E95Very high93.8Very high120 Ų12068.7 Ų68.756%0.56135%0.349SS*.Hα-helixtrans-64.5-44.2175.4-70.963.3-137.800111.6T20 K25 K26T20-E22 PolarHBondContact O-N 3.4Å; E22-K25 PolarHBondContact O-N 2.69Å; E22-K26 WeakPolarHBondContact O-CB 3.17Å; E22-K26 PolarHBondContact O-N 2.79Å
23E96.1Very high93.6Very high58 Ų5871.2 Ų71.227%0.27136%0.362SS..Hα-helixtrans-64.5-41.6175.5-74.1160.5149.800112I11 T20 K26 Y27I11-E23 HydrophobicContact CG2-CB 3.68Å; T20-E23 WeakPolarHBondContact CB-OE2 3.5Å; T20-E23 PolarHBondContact N-OE2 3.42Å; T20-E23 PolarHBondContact O-N 2.88Å; T20-E23 WeakPolarHBondContact OG1-CB 3.5Å; T20-E23 WeakPolarHBondContact OG1-CG 3.28Å; T20-E23 PolarHBondContact OG1-N 2.84Å; T20-E23 VanDerWaalsContact OG1-N 3.13Å; T20-E23 PolarHBondContact OG1-OE2 3.29Å; E23-K26 PolarHBondContact O-N 2.74Å; E23-Y27 WeakPolarHBondContact O-CB 3.49Å; E23-Y27 PolarHBondContact O-N 3.05Å
24L95.4Very high93.8Very high0 Ų068.8 Ų68.80%036%0.361CS..Hα-helixtrans-60.9-45.7174.5172.863.1000111.7I11 T20 V21 K26 Y27 V28 V38 W41 I53I11-L24 HydrophobicContact CD1-CB 4.44Å; I11-L24 HydrophobicContact CD1-CD1 3.48Å; I11-L24 VanDerWaalsContact CD1-CD1 3.48Å; T20-L24 PolarHBondContact O-N 3.5Å; V21-L24 PolarHBondContact O-N 3.23Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 2.92Å; L24-Y27 PolarHBondContact O-N 3.45Å; L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.37Å; L24-V28 PolarHBondContact O-N 2.9Å; L24-V38 HydrophobicContact CD2-CG1 4.21Å; L24-V38 HydrophobicContact CG-CG2 4.37Å; L24-W41 HydrophobicContact CD1-CD2 4.11Å; L24-W41 HydrophobicContact CD1-CE3 4.19Å; L24-W41 HydrophobicContact CD1-CG 4.29Å; L24-W41 HydrophobicContact CD2-CB 3.51Å; L24-W41 HydrophobicContact CD2-CD2 4.38Å; L24-W41 HydrophobicContact CD2-CE3 4.34Å; L24-W41 HydrophobicContact CD2-CG 4.08Å; L24-I53 HydrophobicContact CD2-CD1 4.5Å
25K95.7Very high93.8Very high108 Ų10869.9 Ų69.947%0.4737%0.367SS..Hα-helixtrans-60.4-44.1175.3-77.4173.5176.5178.60111.6V21 E22 Y27 V28 A29 V38V21-K25 HydrophobicContact CG1-CD 4.34Å; V21-K25 WeakPolarHBondContact O-CG 3.44Å; V21-K25 PolarHBondContact O-N 3.49Å; E22-K25 PolarHBondContact O-N 2.69Å; K25-Y27 VanDerWaalsContact C-N 3.34Å; K25-Y27 PolarHBondContact O-N 3.35Å; K25-V28 PolarHBondContact O-N 3.37Å; K25-A29 PolarHBondContact O-N 3.39Å; K25-V38 HydrophobicContact CG-CG1 3.87Å; K25-V38 HydrophobicContact CG-CG2 4.02Å
26K96Very high94Very high120 Ų12072.1 Ų72.152%0.52236%0.364SS..Hα-helixtrans-60.4-44.9177.4-178.4176.3174.9178.90111E22 E23 L24 A29 E30E22-K26 WeakPolarHBondContact O-CB 3.17Å; E22-K26 PolarHBondContact O-N 2.79Å; E23-K26 PolarHBondContact O-N 2.74Å; L24-K26 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 2.92Å; K26-A29 PolarHBondContact O-N 3.24Å; K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 HydrophobicContact CG-CG 4.35Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 WeakPolarHBondContact O-CB 3.46Å; K26-E30 WeakPolarHBondContact O-CG 3.33Å; K26-E30 PolarHBondContact O-N 2.83Å
27Y94.9Very high94Very high16 Ų1670.2 Ų70.26%0.06335%0.351CS..Hα-helixtrans-61.2-44176.9178.1-90.7000112.6V7 A10 I11 E23 L24 K25 E30 N31 L33 M37V7-Y27 HydrophobicContact CG1-CD1 4.23Å; V7-Y27 HydrophobicContact CG1-CE1 3.65Å; A10-Y27 HydrophobicContact CB-CD2 4.47Å; A10-Y27 HydrophobicContact CB-CE2 3.65Å; I11-Y27 HydrophobicContact CD1-CD1 4.22Å; I11-Y27 HydrophobicContact CD1-CG 4.29Å; I11-Y27 HydrophobicContact CG1-CD1 3.93Å; I11-Y27 HydrophobicContact CG1-CD2 3.84Å; I11-Y27 HydrophobicContact CG1-CE2 4.47Å; I11-Y27 HydrophobicContact CG1-CG 3.54Å; E23-Y27 WeakPolarHBondContact O-CB 3.49Å; E23-Y27 PolarHBondContact O-N 3.05Å; L24-Y27 PolarHBondContact O-N 3.45Å; K25-Y27 VanDerWaalsContact C-N 3.34Å; K25-Y27 PolarHBondContact O-N 3.35Å; Y27-E30 PolarHBondContact O-N 3.1Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.49Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.32Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.27Å; Y27-N31 WeakPolarHBondContact O-CB 3.31Å; Y27-N31 PolarHBondContact O-N 2.93Å; Y27-N31 PolarHBondContact O-ND2 3.32Å; Y27-L33 HydrophobicContact CD1-CD1 4.13Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å; Y27-M37 HydrophobicContact CE1-CE 4.49Å
28V94.6Very high94.1Very high1 Ų165.2 Ų65.21%0.00633%0.328CS..Hα-helixtrans-60.4-45.9176.6166.90000111.1L24 K25 K32 L33 M37 V38L24-V28 HydrophobicContact CD1-CG2 4.42Å; L24-V28 WeakPolarHBondContact O-CG2 3.37Å; L24-V28 PolarHBondContact O-N 2.9Å; K25-V28 PolarHBondContact O-N 3.37Å; V28-K32 PolarHBondContact O-N 2.98Å; V28-L33 HydrophobicContact CB-CB 4.45Å; V28-L33 HydrophobicContact CG1-CB 4.07Å; V28-L33 WeakPolarHBondContact CG1-O 3.49Å; V28-L33 HydrophobicContact CG2-CB 4.47Å; V28-L33 PolarHBondContact O-N 3.24Å; V28-M37 HydrophobicContact CG2-CB 4.18Å; V28-M37 HydrophobicContact CG2-CG 4.24Å; V28-M37 HydrophobicContact CG2-SD 3.95Å; V28-V38 HydrophobicContact CB-CG2 4.28Å; V28-V38 HydrophobicContact CG1-CG2 4.45Å; V28-V38 HydrophobicContact CG2-CG2 3.88Å
29A94.5Very high94Very high71 Ų7168.1 Ų68.159%0.58735%0.346SS*.Hα-helixtrans-65.3-45.9178.600000112.7K25 K26 N31 K32K25-A29 PolarHBondContact O-N 3.39Å; K26-A29 PolarHBondContact O-N 3.24Å; A29-N31 VanDerWaalsContact C-N 3.31Å; A29-N31 PolarHBondContact O-N 3.15Å; A29-K32 PolarHBondContact O-N 2.9Å
30E94.6Very high93.8Very high96 Ų9674 Ų7445%0.44937%0.371SS..Hα-helixtrans-62.8-36.6179.9-75.5178.2177.100112.3R13 K26 Y27R13-E30 IonicContact CZ-OE2 3.55Å; R13-E30 IonicContact NH1-OE2 3.51Å; R13-E30 IonicContact NH2-OE2 2.71Å; R13-E30 PolarHBondContact NH2-OE2 2.89Å; K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 HydrophobicContact CG-CG 4.35Å; K26-E30 IonicContact NZ-OE1 2.77Å; K26-E30 WeakPolarHBondContact O-CB 3.46Å; K26-E30 WeakPolarHBondContact O-CG 3.33Å; K26-E30 PolarHBondContact O-N 2.83Å; Y27-E30 PolarHBondContact O-N 3.1Å
31N92.2Very high93.7Very high79 Ų7972.8 Ų72.842%0.42236%0.364SS..THydrogen-bonded Turntrans-95.25.7-178.7-65.2-81.3000113.8Y27 A29 L33Y27-N31 WeakPolarHBondContact CD2-ND2 3.49Å; Y27-N31 VanDerWaalsContact CE2-ND2 3.32Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.27Å; Y27-N31 WeakPolarHBondContact O-CB 3.31Å; Y27-N31 PolarHBondContact O-N 2.93Å; Y27-N31 PolarHBondContact O-ND2 3.32Å; A29-N31 VanDerWaalsContact C-N 3.31Å; A29-N31 PolarHBondContact O-N 3.15Å; N31-L33 VanDerWaalsContact C-N 3.25Å; N31-L33 HydrophobicContact CB-CD1 4Å; N31-L33 HydrophobicContact CB-CD2 4.5Å; N31-L33 HydrophobicContact CB-CG 3.83Å; N31-L33 PolarHBondContact O-N 3.47Å
32K91.6Very high93.7Very high198 Ų19876.5 Ų76.586%0.86138%0.38SS*.THydrogen-bonded Turntrans5341.1-178.6-54.6178.4-177.8178.80113V28 A29V28-K32 PolarHBondContact O-N 2.98Å; A29-K32 PolarHBondContact O-N 2.9Å
33L90.7Very high93.7Very high64 Ų6475 Ų7534%0.33538%0.383SS..  trans-85.9165.5178.1-58.9175.5000110.7Y27 V28 N31 D35 M37Y27-L33 HydrophobicContact CD1-CD1 4.13Å; Y27-L33 HydrophobicContact CE1-CD1 3.62Å; V28-L33 HydrophobicContact CB-CB 4.45Å; V28-L33 HydrophobicContact CG1-CB 4.07Å; V28-L33 WeakPolarHBondContact CG1-O 3.49Å; V28-L33 HydrophobicContact CG2-CB 4.47Å; V28-L33 PolarHBondContact O-N 3.24Å; N31-L33 VanDerWaalsContact C-N 3.25Å; N31-L33 HydrophobicContact CB-CD1 4Å; N31-L33 HydrophobicContact CB-CD2 4.5Å; N31-L33 HydrophobicContact CB-CG 3.83Å; N31-L33 PolarHBondContact O-N 3.47Å; L33-D35 PolarHBondContact O-N 3.27Å; L33-M37 HydrophobicContact CB-SD 4.38Å; L33-M37 HydrophobicContact CD1-CE 4.43Å; L33-M37 HydrophobicContact CD1-SD 3.79Å
34D91.8Very high93.6Very high109 Ų10976 Ų7658%0.58339%0.389SS*.  trans-68.4126.2177-178.7-7.4000110.9M36 M37D34-M36 PolarHBondContact O-N 3.27Å; D34-M36 VanDerWaalsContact O-N 3.09Å; D34-M36 VanDerWaalsContact OD1-CB 3.32Å; D34-M36 WeakPolarHBondContact OD1-CB 3.35Å; D34-M36 WeakPolarHBondContact OD1-CG 3.48Å; D34-M36 PolarHBondContact OD1-N 3.46Å; D34-M37 WeakPolarHBondContact O-CB 3.31Å; D34-M37 PolarHBondContact O-N 3Å
35D90.9Very high93.5Very high123 Ų12376.2 Ų76.266%0.65839%0.39SS*.THydrogen-bonded Turntrans-55.6-26.1177.2-75.3-22.7000113.2L33 M37 V38L33-D35 PolarHBondContact O-N 3.27Å; D35-M37 PolarHBondContact O-N 2.88Å; D35-M37 VanDerWaalsContact O-N 3.1Å; D35-V38 WeakPolarHBondContact O-CB 3.4Å; D35-V38 PolarHBondContact O-N 3.37Å
36M92.5Very high93.5Very high99 Ų9971.5 Ų71.549%0.48837%0.37SS..Hα-helixtrans-58.6-22.2172.6-73.2-66.5-66.800112.9D34 V38 T39 K40D34-M36 PolarHBondContact O-N 3.27Å; D34-M36 VanDerWaalsContact O-N 3.09Å; D34-M36 VanDerWaalsContact OD1-CB 3.32Å; D34-M36 WeakPolarHBondContact OD1-CB 3.35Å; D34-M36 WeakPolarHBondContact OD1-CG 3.48Å; D34-M36 PolarHBondContact OD1-N 3.46Å; M36-V38 VanDerWaalsContact C-N 3.29Å; M36-V38 PolarHBondContact O-N 3.48Å; M36-T39 PolarHBondContact O-N 3.26Å; M36-K40 WeakPolarHBondContact O-CG 3.26Å; M36-K40 PolarHBondContact O-N 2.81Å
37M92.5Very high93.3Very high35 Ų3570.5 Ų70.517%0.17238%0.376CS..Hα-helixtrans-58.3-41.9173.3-176.5172.417300111.6V7 Y27 V28 L33 D34 D35 T39 K40 W41V7-M37 HydrophobicContact CB-CE 4.4Å; V7-M37 HydrophobicContact CG1-CE 3.36Å; V7-M37 HydrophobicContact CG2-CE 4.37Å; Y27-M37 HydrophobicContact CE1-CE 4.49Å; V28-M37 HydrophobicContact CG2-CB 4.18Å; V28-M37 HydrophobicContact CG2-CG 4.24Å; V28-M37 HydrophobicContact CG2-SD 3.95Å; L33-M37 HydrophobicContact CB-SD 4.38Å; L33-M37 HydrophobicContact CD1-CE 4.43Å; L33-M37 HydrophobicContact CD1-SD 3.79Å; D34-M37 WeakPolarHBondContact O-CB 3.31Å; D34-M37 PolarHBondContact O-N 3Å; D35-M37 PolarHBondContact O-N 2.88Å; D35-M37 VanDerWaalsContact O-N 3.1Å; M37-T39 PolarHBondContact O-N 2.89Å; M37-K40 PolarHBondContact O-N 3.21Å; M37-W41 HydrophobicContact CE-CZ2 4.16Å; M37-W41 WeakPolarHBondContact O-CB 3.42Å; M37-W41 VanDerWaalsContact O-CD1 3.23Å; M37-W41 PolarHBondContact O-N 2.71Å
38V94Very high93.1Very high12 Ų1278.6 Ų78.67%0.07341%0.411CS..Hα-helixtrans-62.1-47.7178.8-176.30000110.1V21 L24 K25 V28 D35 M36 K40 W41 K42V21-V38 HydrophobicContact CG1-CG1 4.39Å; L24-V38 HydrophobicContact CD2-CG1 4.21Å; L24-V38 HydrophobicContact CG-CG2 4.37Å; K25-V38 HydrophobicContact CG-CG1 3.87Å; K25-V38 HydrophobicContact CG-CG2 4.02Å; V28-V38 HydrophobicContact CB-CG2 4.28Å; V28-V38 HydrophobicContact CG1-CG2 4.45Å; V28-V38 HydrophobicContact CG2-CG2 3.88Å; D35-V38 WeakPolarHBondContact O-CB 3.4Å; D35-V38 PolarHBondContact O-N 3.37Å; M36-V38 VanDerWaalsContact C-N 3.29Å; M36-V38 PolarHBondContact O-N 3.48Å; V38-K40 PolarHBondContact O-N 3.1Å; V38-W41 PolarHBondContact O-N 2.91Å; V38-K42 HydrophobicContact CG1-CD 4.1Å; V38-K42 HydrophobicContact CG1-CG 4.46Å; V38-K42 VanDerWaalsContact O-CG 3.31Å; V38-K42 WeakPolarHBondContact O-CG 3.32Å; V38-K42 PolarHBondContact O-N 3.02Å
39T94.1Very high92.9Very high89 Ų8981.5 Ų81.555%0.54644%0.441SS..Hα-helixtrans-60.3-45.2178.7-540000111.5M36 M37 S43M36-T39 PolarHBondContact O-N 3.26Å; M37-T39 PolarHBondContact O-N 2.89Å; T39-S43 WeakPolarHBondContact O-CB 3.27Å; T39-S43 PolarHBondContact O-N 3.48Å
40K93.2Very high92.9Very high124 Ų12482.3 Ų82.354%0.53944%0.439SS..Hα-helixtrans-62.7-46.9177.2-74.2175.5-179.2174.20111.9M36 M37 V38 S43 L44M36-K40 WeakPolarHBondContact O-CG 3.26Å; M36-K40 PolarHBondContact O-N 2.81Å; M37-K40 PolarHBondContact O-N 3.21Å; V38-K40 PolarHBondContact O-N 3.1Å; K40-S43 PolarHBondContact O-N 2.8Å; K40-L44 WeakPolarHBondContact O-CB 3.12Å; K40-L44 VanDerWaalsContact O-CG 3.3Å; K40-L44 WeakPolarHBondContact O-CG 3.32Å; K40-L44 PolarHBondContact O-N 3.38Å
41W94.2Very high92.8Very high4 Ų478.8 Ų78.82%0.01543%0.428CS..Hα-helixtrans-64-42179.6-88.761.2000112.4F4 V7 F8 I11 I19 L24 M37 V38 S43 L44 F45 I53 F58F4-W41 HydrophobicContact CB-CZ2 4.46Å; F4-W41 AromaticContact CD1-CE2 3.73Å; F4-W41 AromaticContact CD1-CZ2 3.66Å; F4-W41 HydrophobicContact CD1-CZ2 3.66Å; F4-W41 AromaticContact CD1-NE1 3.62Å; F4-W41 HydrophobicContact CE1-CZ2 4.46Å; F4-W41 AromaticContact CE1-NE1 3.54Å; V7-W41 HydrophobicContact CB-CH2 3.92Å; V7-W41 HydrophobicContact CB-CZ2 3.7Å; V7-W41 HydrophobicContact CG1-CH2 3.86Å; V7-W41 HydrophobicContact CG1-CZ2 3.59Å; F8-W41 HydrophobicContact CB-CH2 4.12Å; F8-W41 HydrophobicContact CB-CZ3 4.42Å; F8-W41 HydrophobicContact CD2-CZ3 4.27Å; I11-W41 HydrophobicContact CD1-CH2 4.33Å; I11-W41 HydrophobicContact CD1-CZ3 4.21Å; I19-W41 HydrophobicContact CD1-CE3 3.99Å; I19-W41 HydrophobicContact CD1-CZ3 3.6Å; L24-W41 HydrophobicContact CD1-CD2 4.11Å; L24-W41 HydrophobicContact CD1-CE3 4.19Å; L24-W41 HydrophobicContact CD1-CG 4.29Å; L24-W41 HydrophobicContact CD2-CB 3.51Å; L24-W41 HydrophobicContact CD2-CD2 4.38Å; L24-W41 HydrophobicContact CD2-CE3 4.34Å; L24-W41 HydrophobicContact CD2-CG 4.08Å; M37-W41 HydrophobicContact CE-CZ2 4.16Å; M37-W41 WeakPolarHBondContact O-CB 3.42Å; M37-W41 VanDerWaalsContact O-CD1 3.23Å; M37-W41 PolarHBondContact O-N 2.71Å; V38-W41 PolarHBondContact O-N 2.91Å; W41-S43 PolarHBondContact O-N 3.12Å; W41-L44 PolarHBondContact O-N 3.48Å; W41-F45 HydrophobicContact CB-CD2 4.14Å; W41-F45 AromaticContact CD2-CD2 3.83Å; W41-F45 HydrophobicContact CD2-CD2 3.83Å; W41-F45 AromaticContact CD2-CE2 3.74Å; W41-F45 HydrophobicContact CD2-CE2 3.74Å; W41-F45 AromaticContact CE3-CD2 3.74Å; W41-F45 HydrophobicContact CE3-CD2 3.74Å; W41-F45 AromaticContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CG-CD2 4.02Å; W41-F45 HydrophobicContact CG-CE2 4.02Å; W41-F45 HydrophobicContact CZ2-CE2 4.49Å; W41-F45 HydrophobicContact CZ3-CD2 4.39Å; W41-F45 HydrophobicContact CZ3-CE2 4.42Å; W41-F45 WeakPolarHBondContact O-CB 3.45Å; W41-F45 WeakPolarHBondContact O-CD2 3.44Å; W41-F45 PolarHBondContact O-N 2.93Å; W41-I53 HydrophobicContact CE3-CD1 4.16Å; W41-F58 AromaticContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CZ 4.26Å; W41-F58 HydrophobicContact CZ2-CE2 4.4Å; W41-F58 HydrophobicContact CZ3-CD2 4.28Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å
42K94.3Very high93Very high81 Ų8182 Ų8235%0.35244%0.435SS..Hα-helixtrans-60.8-45.8174-69.8-179.182.7172.70111.2V21 V38 L44 D46V21-K42 HydrophobicContact CG1-CD 3.79Å; V21-K42 HydrophobicContact CG1-CG 4.47Å; V21-K42 HydrophobicContact CG2-CD 3.99Å; V21-K42 HydrophobicContact CG2-CG 4Å; V38-K42 HydrophobicContact CG1-CD 4.1Å; V38-K42 HydrophobicContact CG1-CG 4.46Å; V38-K42 VanDerWaalsContact O-CG 3.31Å; V38-K42 WeakPolarHBondContact O-CG 3.32Å; V38-K42 PolarHBondContact O-N 3.02Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 2.88Å; K42-D46 CarbonylContact O-C 3.43Å; K42-D46 WeakPolarHBondContact O-CA 3.31Å; K42-D46 PolarHBondContact O-N 2.96Å
43S94.2Very high93.2Very high89 Ų8972.6 Ų72.662%0.62239%0.394SS*.Hα-helixtrans-62.5-36178.7-176.30000113.2T39 K40 W41T39-S43 WeakPolarHBondContact O-CB 3.27Å; T39-S43 PolarHBondContact O-N 3.48Å; K40-S43 PolarHBondContact O-N 2.8Å; W41-S43 PolarHBondContact O-N 3.12Å
44L93.5Very high93.4Very high79 Ų7971.9 Ų71.941%0.41439%0.392SS..Hα-helixtrans-84.3-45.2-177-70.1171.1000112.2K40 W41 K42 V61K40-L44 WeakPolarHBondContact O-CB 3.12Å; K40-L44 VanDerWaalsContact O-CG 3.3Å; K40-L44 WeakPolarHBondContact O-CG 3.32Å; K40-L44 PolarHBondContact O-N 3.38Å; W41-L44 PolarHBondContact O-N 3.48Å; K42-L44 VanDerWaalsContact C-N 3.3Å; K42-L44 PolarHBondContact O-N 2.88Å; L44-V61 WeakPolarHBondContact O-CG2 3.47Å
45F94.7Very high93.5Very high3 Ų367 Ų671%0.01337%0.366CS..Hα-helixtrans-113.8-10.7-164.6-49.7-64.6000114.7F4 W41 P47 I53 F58 V61 L62F4-F45 AromaticContact CD1-CE2 3.83Å; F4-F45 HydrophobicContact CD1-CE2 3.83Å; F4-F45 AromaticContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CD1-CZ 3.8Å; F4-F45 HydrophobicContact CE1-CE2 4.08Å; F4-F45 HydrophobicContact CE1-CZ 4.18Å; F4-F45 HydrophobicContact CG-CZ 4.34Å; W41-F45 HydrophobicContact CB-CD2 4.14Å; W41-F45 AromaticContact CD2-CD2 3.83Å; W41-F45 HydrophobicContact CD2-CD2 3.83Å; W41-F45 AromaticContact CD2-CE2 3.74Å; W41-F45 HydrophobicContact CD2-CE2 3.74Å; W41-F45 AromaticContact CE3-CD2 3.74Å; W41-F45 HydrophobicContact CE3-CD2 3.74Å; W41-F45 AromaticContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CE3-CE2 3.97Å; W41-F45 HydrophobicContact CG-CD2 4.02Å; W41-F45 HydrophobicContact CG-CE2 4.02Å; W41-F45 HydrophobicContact CZ2-CE2 4.49Å; W41-F45 HydrophobicContact CZ3-CD2 4.39Å; W41-F45 HydrophobicContact CZ3-CE2 4.42Å; W41-F45 WeakPolarHBondContact O-CB 3.45Å; W41-F45 WeakPolarHBondContact O-CD2 3.44Å; W41-F45 PolarHBondContact O-N 2.93Å; F45-P47 VanDerWaalsContact C-CD 3.44Å; F45-I53 HydrophobicContact CB-CB 4.35Å; F45-I53 HydrophobicContact CB-CD1 3.99Å; F45-I53 HydrophobicContact CB-CG1 3.96Å; F45-I53 HydrophobicContact CB-CG2 3.46Å; F45-I53 VanDerWaalsContact CB-CG2 3.46Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; F45-F58 AromaticContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CE2 4.19Å; F45-F58 HydrophobicContact CD1-CG 4.38Å; F45-F58 HydrophobicContact CD2-CD2 4.04Å; F45-F58 HydrophobicContact CD2-CE2 4.17Å; F45-F58 AromaticContact CE1-CD2 3.64Å; F45-F58 HydrophobicContact CE1-CD2 3.64Å; F45-F58 AromaticContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CG 4.44Å; F45-F58 HydrophobicContact CE2-CD2 4.07Å; F45-F58 AromaticContact CE2-CE2 3.77Å; F45-F58 HydrophobicContact CE2-CE2 3.77Å; F45-F58 AromaticContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CE2 4.38Å; F45-F58 AromaticContact CZ-CD2 3.87Å; F45-F58 HydrophobicContact CZ-CD2 3.87Å; F45-F58 AromaticContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CZ 4.46Å; F45-V61 HydrophobicContact CD1-CB 3.87Å; F45-V61 HydrophobicContact CD1-CG1 3.76Å; F45-V61 HydrophobicContact CD1-CG2 4.3Å; F45-V61 HydrophobicContact CE1-CB 4.03Å; F45-V61 HydrophobicContact CE1-CG1 3.67Å; F45-L62 HydrophobicContact CE1-CD2 4Å; F45-L62 HydrophobicContact CE1-CG 4.09Å; F45-L62 HydrophobicContact CZ-CD2 4.12Å
46D94.8Very high93.6Very high10 Ų1068 Ų685%0.05336%0.364CS..  trans-130.958172.1-176.929.2000111.5K42 K48 G49 T50 G51 I53K42-D46 CarbonylContact O-C 3.43Å; K42-D46 WeakPolarHBondContact O-CA 3.31Å; K42-D46 PolarHBondContact O-N 2.96Å; D46-K48 PolarHBondContact O-N 3.49Å; D46-K48 VanDerWaalsContact O-N 3.09Å; D46-G49 PolarHBondContact O-N 3.45Å; D46-G49 PolarHBondContact OD1-N 3.32Å; D46-G49 WeakPolarHBondContact OD2-CA 3.48Å; D46-T50 VanDerWaalsContact CG-N 3.33Å; D46-T50 WeakPolarHBondContact OD1-CB 3.23Å; D46-T50 PolarHBondContact OD1-N 3Å; D46-T50 PolarHBondContact OD1-OG1 3.39Å; D46-T50 PolarHBondContact OD2-N 3.49Å; D46-T50 VanDerWaalsContact OD2-N 3.09Å; D46-G51 WeakPolarHBondContact OD2-CA 3.32Å; D46-G51 PolarHBondContact OD2-N 3.32Å; D46-I53 HydrophobicContact CB-CG1 3.9Å
47P91.1Very high93.6Very high99 Ų9965.8 Ų65.864%0.64336%0.356SS*.THydrogen-bonded Turntrans-64.4-19.2-175.926.8-35.7000113.3F45F45-P47 VanDerWaalsContact C-CD 3.44Å
48K90.5Very high93.7Very high186 Ų18664.1 Ų64.181%0.80935%0.348SS*.THydrogen-bonded Turntrans-87.6-4.3176.9-66.6-177-178.1-179.60113.2D46 T50D46-K48 PolarHBondContact O-N 3.49Å; D46-K48 VanDerWaalsContact O-N 3.09Å; K48-T50 VanDerWaalsContact C-N 3.31Å; K48-T50 HydrophobicContact CB-CG2 3.93Å; K48-T50 PolarHBondContact O-N 3Å
49G91.3Very high93.7Very high61 Ų6163.6 Ų63.663%0.62935%0.345SS*.  trans63.734.4179.400000113.5D46 G51D46-G49 PolarHBondContact O-N 3.45Å; D46-G49 PolarHBondContact OD1-N 3.32Å; D46-G49 WeakPolarHBondContact OD2-CA 3.48Å; G49-G51 PolarHBondContact O-N 3.28Å
50T93.5Very high93.6Very high88 Ų8864.2 Ų64.254%0.5435%0.345SS..  trans-71.3-16.6179.965.60000113.1D46 K48 R52D46-T50 VanDerWaalsContact CG-N 3.33Å; D46-T50 WeakPolarHBondContact OD1-CB 3.23Å; D46-T50 PolarHBondContact OD1-N 3Å; D46-T50 PolarHBondContact OD1-OG1 3.39Å; D46-T50 PolarHBondContact OD2-N 3.49Å; D46-T50 VanDerWaalsContact OD2-N 3.09Å; K48-T50 VanDerWaalsContact C-N 3.31Å; K48-T50 HydrophobicContact CB-CG2 3.93Å; K48-T50 PolarHBondContact O-N 3Å; T50-R52 PolarHBondContact O-N 2.85Å; T50-R52 PolarHBondContact OG1-N 2.98Å; T50-R52 PolarHBondContact OG1-O 2.76Å
51G94.5Very high93.6Very high22 Ų2261.7 Ų61.723%0.22734%0.34CS..SBendtrans79.81.9-172.700000113.5T20 V21 D46 G49T20-G51 WeakPolarHBondContact CA-O 3.46Å; V21-G51 PolarHBondContact N-O 2.94Å; D46-G51 WeakPolarHBondContact OD2-CA 3.32Å; D46-G51 PolarHBondContact OD2-N 3.32Å; G49-G51 PolarHBondContact O-N 3.28Å
52R96Very high93.5Very high148 Ų14864.3 Ų64.356%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-131.1137.6-177.4-67.5178.3174.3-104.5-1.1110.5T18 I19 T50T18-R52 HydrophobicContact CG2-CB 3.97Å; T18-R52 HydrophobicContact CG2-CG 4.28Å; I19-R52 CarbonylContact O-C 3.57Å; I19-R52 WeakPolarHBondContact O-CA 3.34Å; T50-R52 PolarHBondContact O-N 2.85Å; T50-R52 PolarHBondContact OG1-N 2.98Å; T50-R52 PolarHBondContact OG1-O 2.76Å
53I95.3Very high93.5Very high0 Ų063.7 Ų63.70%037%0.37CS..EExtended strand (participates in β ladder)trans-116.4109.3173.9-60.1163.4000107.3F8 T18 I19 L24 W41 F45 D46 F58F8-I53 HydrophobicContact CE2-CG2 4.11Å; T18-I53 WeakPolarHBondContact CA-O 3.35Å; I19-I53 HydrophobicContact CD1-CB 4.27Å; I19-I53 HydrophobicContact CD1-CD1 4.22Å; I19-I53 HydrophobicContact CG1-CB 3.71Å; I19-I53 HydrophobicContact CG1-CD1 4.34Å; I19-I53 HydrophobicContact CG1-CG2 4.34Å; I19-I53 PolarHBondContact N-O 3.26Å; I19-I53 PolarHBondContact O-N 3.25Å; L24-I53 HydrophobicContact CD2-CD1 4.5Å; W41-I53 HydrophobicContact CE3-CD1 4.16Å; F45-I53 HydrophobicContact CB-CB 4.35Å; F45-I53 HydrophobicContact CB-CD1 3.99Å; F45-I53 HydrophobicContact CB-CG1 3.96Å; F45-I53 HydrophobicContact CB-CG2 3.46Å; F45-I53 VanDerWaalsContact CB-CG2 3.46Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; D46-I53 HydrophobicContact CB-CG1 3.9Å; I53-F58 HydrophobicContact CG2-CB 4.22Å; I53-F58 HydrophobicContact CG2-CD2 4.41Å
54T94.7Very high93.4Very high49 Ų4961.4 Ų61.430%0.30135%0.351SS..EExtended strand (participates in β ladder)trans-82.6149177.272.90000110.8E17 T18 K56 T57 F58E17-T54 CarbonylContact O-C 3.58Å; T18-T54 HydrophobicContact CG2-CG2 4.34Å; T54-K56 PolarHBondContact O-N 2.82Å; T54-T57 PolarHBondContact O-N 2.88Å; T54-T57 WeakPolarHBondContact OG1-CB 3.3Å; T54-T57 PolarHBondContact OG1-N 3.08Å; T54-T57 PolarHBondContact OG1-OG1 3.48Å; T54-F58 VanDerWaalsContact O-CB 3.32Å; T54-F58 WeakPolarHBondContact O-CB 3.5Å; T54-F58 PolarHBondContact O-N 3.43Å
55F94.4Very high93.3Very high6 Ų659.9 Ų59.93%0.02635%0.347CS..Hα-helixtrans-58.7-35.8178.1-175.8-123.3000112F8 F9 E17 F58 C59 P66 A69 V70F8-F55 AromaticContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CD2 3.81Å; F8-F55 HydrophobicContact CD1-CE2 4.41Å; F8-F55 HydrophobicContact CE1-CB 3.87Å; F8-F55 AromaticContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CD2 3.57Å; F8-F55 HydrophobicContact CE1-CG 4.12Å; F8-F55 HydrophobicContact CZ-CB 3.75Å; F8-F55 HydrophobicContact CZ-CD2 4.07Å; F8-F55 HydrophobicContact CZ-CG 4.41Å; F9-F55 HydrophobicContact CE1-CE2 4.01Å; F9-F55 HydrophobicContact CE1-CZ 4.26Å; F9-F55 AromaticContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CE2 3.97Å; F9-F55 HydrophobicContact CE2-CZ 4.29Å; F9-F55 HydrophobicContact CZ-CD2 4.29Å; F9-F55 HydrophobicContact CZ-CE1 4.47Å; F9-F55 AromaticContact CZ-CE2 3.4Å; F9-F55 HydrophobicContact CZ-CE2 3.4Å; F9-F55 VanDerWaalsContact CZ-CE2 3.4Å; F9-F55 AromaticContact CZ-CZ 3.51Å; F9-F55 HydrophobicContact CZ-CZ 3.51Å; E17-F55 HydrophobicContact CB-CB 3.79Å; E17-F55 HydrophobicContact CG-CB 4.47Å; E17-F55 WeakPolarHBondContact O-CB 3.48Å; E17-F55 PolarHBondContact O-N 3.01Å; F55-F58 PolarHBondContact O-N 2.85Å; F55-C59 WeakPolarHBondContact O-CB 3.29Å; F55-C59 PolarHBondContact O-N 3.32Å; F55-C59 PolarHBondContact O-SG 2.9Å; F55-P66 HydrophobicContact CD1-CB 4.47Å; F55-P66 HydrophobicContact CE1-CB 3.87Å; F55-A69 HydrophobicContact CE2-CB 3.85Å; F55-A69 HydrophobicContact CZ-CB 3.54Å; F55-V70 HydrophobicContact CE1-CG2 4.17Å; F55-V70 HydrophobicContact CZ-CG2 4.07Å
56K92.9Very high93.2Very high144 Ų14462.8 Ų62.863%0.62637%0.366SS*.Hα-helixtrans-60.4-56.2173.8-175.9-179.4177-177.40111.6T54 F58 C59 D60T54-K56 PolarHBondContact O-N 2.82Å; K56-F58 PolarHBondContact O-N 3.31Å; K56-C59 PolarHBondContact O-N 3.27Å; K56-D60 PolarHBondContact O-N 2.95Å
57T92.1Very high93Very high53 Ų5366 Ų6633%0.32539%0.393SS..Hα-helixtrans-59.5-38.7178.8-55.70000111.6T54 D60 V61T54-T57 PolarHBondContact O-N 2.88Å; T54-T57 WeakPolarHBondContact OG1-CB 3.3Å; T54-T57 PolarHBondContact OG1-N 3.08Å; T54-T57 PolarHBondContact OG1-OG1 3.48Å; T57-D60 PolarHBondContact O-N 3.48Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 2.91Å
58F94.7Very high92.9Very high0 Ų066.1 Ų66.10%039%0.385CS..Hα-helixtrans-61.1-48176.5179.7-91.6000112.3F4 V5 F8 W41 F45 I53 T54 F55 K56 V61 L62F4-F58 VanDerWaalsContact C-CZ 3.5Å; F4-F58 HydrophobicContact CB-CE2 4.21Å; F4-F58 HydrophobicContact CB-CZ 3.72Å; F4-F58 WeakPolarHBondContact O-CZ 3.13Å; V5-F58 HydrophobicContact CG2-CE1 4.19Å; F8-F58 HydrophobicContact CB-CD1 4.45Å; F8-F58 HydrophobicContact CB-CE1 3.99Å; F8-F58 HydrophobicContact CB-CE2 4.13Å; F8-F58 HydrophobicContact CB-CZ 3.8Å; F8-F58 HydrophobicContact CD2-CB 4.12Å; F8-F58 HydrophobicContact CD2-CD1 4.07Å; F8-F58 AromaticContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CD2 3.67Å; F8-F58 HydrophobicContact CD2-CE1 4.39Å; F8-F58 HydrophobicContact CD2-CE2 4.02Å; F8-F58 AromaticContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CG 3.68Å; F8-F58 HydrophobicContact CD2-CZ 4.35Å; F8-F58 HydrophobicContact CE2-CB 4.06Å; F8-F58 HydrophobicContact CE2-CD2 4.35Å; F8-F58 HydrophobicContact CE2-CG 4.13Å; F8-F58 HydrophobicContact CG-CD1 4.26Å; F8-F58 HydrophobicContact CG-CD2 4.44Å; F8-F58 HydrophobicContact CG-CE1 4.29Å; F8-F58 HydrophobicContact CG-CE2 4.47Å; F8-F58 HydrophobicContact CG-CG 4.32Å; F8-F58 HydrophobicContact CG-CZ 4.38Å; W41-F58 AromaticContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CE2 3.69Å; W41-F58 HydrophobicContact CH2-CZ 4.26Å; W41-F58 HydrophobicContact CZ2-CE2 4.4Å; W41-F58 HydrophobicContact CZ3-CD2 4.28Å; W41-F58 AromaticContact CZ3-CE2 3.78Å; W41-F58 HydrophobicContact CZ3-CE2 3.78Å; F45-F58 AromaticContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CD2 3.62Å; F45-F58 HydrophobicContact CD1-CE2 4.19Å; F45-F58 HydrophobicContact CD1-CG 4.38Å; F45-F58 HydrophobicContact CD2-CD2 4.04Å; F45-F58 HydrophobicContact CD2-CE2 4.17Å; F45-F58 AromaticContact CE1-CD2 3.64Å; F45-F58 HydrophobicContact CE1-CD2 3.64Å; F45-F58 AromaticContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CE2 3.78Å; F45-F58 HydrophobicContact CE1-CG 4.44Å; F45-F58 HydrophobicContact CE2-CD2 4.07Å; F45-F58 AromaticContact CE2-CE2 3.77Å; F45-F58 HydrophobicContact CE2-CE2 3.77Å; F45-F58 AromaticContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CD2 3.83Å; F45-F58 HydrophobicContact CG-CE2 4.38Å; F45-F58 AromaticContact CZ-CD2 3.87Å; F45-F58 HydrophobicContact CZ-CD2 3.87Å; F45-F58 AromaticContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CE2 3.56Å; F45-F58 HydrophobicContact CZ-CZ 4.46Å; I53-F58 HydrophobicContact CG2-CB 4.22Å; I53-F58 HydrophobicContact CG2-CD2 4.41Å; T54-F58 VanDerWaalsContact O-CB 3.32Å; T54-F58 WeakPolarHBondContact O-CB 3.5Å; T54-F58 PolarHBondContact O-N 3.43Å; F55-F58 PolarHBondContact O-N 2.85Å; K56-F58 PolarHBondContact O-N 3.31Å; F58-V61 PolarHBondContact O-N 3.4Å; F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.47Å; F58-L62 HydrophobicContact CE2-CD1 4.25Å; F58-L62 HydrophobicContact CZ-CD1 3.52Å; F58-L62 WeakPolarHBondContact O-CG 3.32Å; F58-L62 PolarHBondContact O-N 3.07Å
59C93.5Very high92.9Very high1 Ų157.2 Ų57.21%0.00735%0.347CS..Hα-helixtrans-62-44.6175.3-70.30000111.9F55 K56 V61 L62 G63 L64F55-C59 WeakPolarHBondContact O-CB 3.29Å; F55-C59 PolarHBondContact O-N 3.32Å; F55-C59 PolarHBondContact O-SG 2.9Å; K56-C59 PolarHBondContact O-N 3.27Å; C59-V61 VanDerWaalsContact C-N 3.33Å; C59-V61 PolarHBondContact O-N 3.31Å; C59-L62 CarbonylContact O-C 3.59Å; C59-L62 PolarHBondContact O-N 3.07Å; C59-L62 VanDerWaalsContact O-N 3.16Å; C59-G63 PolarHBondContact O-N 3.45Å; C59-G63 VanDerWaalsContact O-N 3.08Å; C59-L64 CarbonylContact C-O 3.42Å; C59-L64 WeakPolarHBondContact CB-O 3.38Å; C59-L64 PolarHBondContact O-N 3.46Å
60D93Very high92.8Very high101 Ų10157.4 Ų57.454%0.5434%0.336SS..Hα-helixtrans-57.5-45179.3-67.5-22.9000111.3K56 T57 L62 G63K56-D60 PolarHBondContact O-N 2.95Å; T57-D60 PolarHBondContact O-N 3.48Å; D60-L62 PolarHBondContact O-N 3.22Å; D60-G63 PolarHBondContact O-N 3.19Å
61V93.5Very high92.6Very high72 Ų7255.9 Ų55.944%0.43633%0.332SS..Hα-helixtrans-66.5-35.8178.7171.30000112.2L44 F45 T57 F58 C59 G63L44-V61 WeakPolarHBondContact O-CG2 3.47Å; F45-V61 HydrophobicContact CD1-CB 3.87Å; F45-V61 HydrophobicContact CD1-CG1 3.76Å; F45-V61 HydrophobicContact CD1-CG2 4.3Å; F45-V61 HydrophobicContact CE1-CB 4.03Å; F45-V61 HydrophobicContact CE1-CG1 3.67Å; T57-V61 VanDerWaalsContact O-CG2 3.29Å; T57-V61 WeakPolarHBondContact O-CG2 3.46Å; T57-V61 PolarHBondContact O-N 2.91Å; F58-V61 PolarHBondContact O-N 3.4Å; C59-V61 VanDerWaalsContact C-N 3.33Å; C59-V61 PolarHBondContact O-N 3.31Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 3.03Å
62L91.8Very high92.3Very high59 Ų5959 Ų5931%0.30934%0.341SS..Hα-helixtrans-80.6-4.1177.7-65.6-176.3000113.6F4 V5 F45 F58 C59 D60 L64F4-L62 HydrophobicContact CB-CD1 4.04Å; V5-L62 HydrophobicContact CG2-CD1 4.11Å; F45-L62 HydrophobicContact CE1-CD2 4Å; F45-L62 HydrophobicContact CE1-CG 4.09Å; F45-L62 HydrophobicContact CZ-CD2 4.12Å; F58-L62 HydrophobicContact CD1-CD1 4.07Å; F58-L62 HydrophobicContact CE1-CD1 3.41Å; F58-L62 VanDerWaalsContact CE1-CD1 3.41Å; F58-L62 HydrophobicContact CE1-CG 4.47Å; F58-L62 HydrophobicContact CE2-CD1 4.25Å; F58-L62 HydrophobicContact CZ-CD1 3.52Å; F58-L62 WeakPolarHBondContact O-CG 3.32Å; F58-L62 PolarHBondContact O-N 3.07Å; C59-L62 CarbonylContact O-C 3.59Å; C59-L62 PolarHBondContact O-N 3.07Å; C59-L62 VanDerWaalsContact O-N 3.16Å; D60-L62 PolarHBondContact O-N 3.22Å; L62-L64 HydrophobicContact CB-CD1 3.92Å; L62-L64 HydrophobicContact CB-CG 3.97Å; L62-L64 HydrophobicContact CD1-CD1 4.1Å; L62-L64 PolarHBondContact O-N 3.1Å
63G93.3Very high91.7Very high67 Ų6754.9 Ų54.969%0.69133%0.328SS*.THydrogen-bonded Turntrans65.729-174.200000112.9C59 D60 V61C59-G63 PolarHBondContact O-N 3.45Å; C59-G63 VanDerWaalsContact O-N 3.08Å; D60-G63 PolarHBondContact O-N 3.19Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 3.03Å
64L92.1Very high91.1Very high41 Ų4157.7 Ų57.722%0.21535%0.345CS..  trans-108.5149.2179.1-62.7174.3000110.1V5 C59 L62 Q68 A69 M72V5-L64 HydrophobicContact CG2-CD1 3.81Å; C59-L64 CarbonylContact C-O 3.42Å; C59-L64 WeakPolarHBondContact CB-O 3.38Å; C59-L64 PolarHBondContact O-N 3.46Å; L62-L64 HydrophobicContact CB-CD1 3.92Å; L62-L64 HydrophobicContact CB-CG 3.97Å; L62-L64 HydrophobicContact CD1-CD1 4.1Å; L62-L64 PolarHBondContact O-N 3.1Å; L64-Q68 HydrophobicContact CD2-CB 4.47Å; L64-A69 HydrophobicContact CD1-CB 4.5Å; L64-M72 HydrophobicContact CD1-SD 4.04Å; L64-M72 HydrophobicContact CD2-SD 4.44Å
65S92.6Very high90.3Very high47 Ų4761.9 Ų61.933%0.32936%0.361SS..  trans-79.4153.3160.763.60000110.8A67 Q68 A69S65-A67 PolarHBondContact O-N 2.91Å; S65-Q68 WeakPolarHBondContact O-CB 3.35Å; S65-Q68 PolarHBondContact O-N 2.77Å; S65-Q68 WeakPolarHBondContact OG-CB 3.44Å; S65-Q68 VanDerWaalsContact OG-CD 3.31Å; S65-Q68 WeakPolarHBondContact OG-CG 3.44Å; S65-Q68 PolarHBondContact OG-N 3.14Å; S65-Q68 PolarHBondContact OG-OE1 3.4Å; S65-A69 PolarHBondContact O-N 2.89Å
66P90.8Very high89.4Confident65 Ų6565.4 Ų65.442%0.42238%0.378SS..Hα-helixtrans-52.7-40.3173.5-29.636.5000113F55 Q68 A69 V70F55-P66 HydrophobicContact CD1-CB 4.47Å; F55-P66 HydrophobicContact CE1-CB 3.87Å; P66-Q68 PolarHBondContact O-N 2.96Å; P66-A69 PolarHBondContact O-N 3.02Å; P66-V70 WeakPolarHBondContact O-CG2 3.26Å; P66-V70 PolarHBondContact O-N 3.27Å
67A91.3Very high88.5Confident76 Ų7663.6 Ų63.663%0.62837%0.371SS*.Hα-helixtrans-62.3-40.317700000112.5S65 A71S65-A67 PolarHBondContact O-N 2.91Å; A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.93Å
68Q90.3Very high87.5Confident102 Ų10266.7 Ų66.748%0.47738%0.382SS..Hα-helixtrans-66-44.2175.7-75.9166.7-45.700111.7L64 S65 P66 V70 A71 M72L64-Q68 HydrophobicContact CD2-CB 4.47Å; S65-Q68 WeakPolarHBondContact O-CB 3.35Å; S65-Q68 PolarHBondContact O-N 2.77Å; S65-Q68 WeakPolarHBondContact OG-CB 3.44Å; S65-Q68 VanDerWaalsContact OG-CD 3.31Å; S65-Q68 WeakPolarHBondContact OG-CG 3.44Å; S65-Q68 PolarHBondContact OG-N 3.14Å; S65-Q68 PolarHBondContact OG-OE1 3.4Å; P66-Q68 PolarHBondContact O-N 2.96Å; Q68-V70 PolarHBondContact O-N 3.42Å; Q68-A71 PolarHBondContact O-N 3.4Å; Q68-M72 VanDerWaalsContact O-CG 3.32Å; Q68-M72 WeakPolarHBondContact O-CG 3.4Å; Q68-M72 PolarHBondContact O-N 3.06Å
69A90.6Very high86.2Confident0 Ų069.1 Ų69.10%040%0.402CS..Hα-helixtrans-63.5-41178.300000111.9V5 F55 L64 S65 P66 M72 K73V5-A69 HydrophobicContact CG1-CB 4.14Å; V5-A69 WeakPolarHBondContact CG1-O 3.32Å; V5-A69 HydrophobicContact CG2-CB 4.48Å; F55-A69 HydrophobicContact CE2-CB 3.85Å; F55-A69 HydrophobicContact CZ-CB 3.54Å; L64-A69 HydrophobicContact CD1-CB 4.5Å; S65-A69 PolarHBondContact O-N 2.89Å; P66-A69 PolarHBondContact O-N 3.02Å; A69-M72 PolarHBondContact O-N 3.37Å; A69-K73 PolarHBondContact O-N 3.43Å
70V89.1Confident85.1Confident65 Ų6572.7 Ų72.739%0.39443%0.427SS..Hα-helixtrans-63.5-42.8172.8173.30000111.4F9 F55 P66 Q68 M72 K73 T74F9-V70 HydrophobicContact CZ-CG2 4.22Å; F55-V70 HydrophobicContact CE1-CG2 4.17Å; F55-V70 HydrophobicContact CZ-CG2 4.07Å; P66-V70 WeakPolarHBondContact O-CG2 3.26Å; P66-V70 PolarHBondContact O-N 3.27Å; Q68-V70 PolarHBondContact O-N 3.42Å; V70-M72 VanDerWaalsContact C-N 3.32Å; V70-M72 PolarHBondContact O-N 2.72Å; V70-K73 WeakPolarHBondContact O-CB 3.37Å; V70-K73 PolarHBondContact O-N 2.89Å; V70-T74 PolarHBondContact O-N 2.81Å; V70-T74 PolarHBondContact O-OG1 2.67Å; V70-T74 VanDerWaalsContact O-OG1 3.1Å
71A88.3Confident84.4Confident55 Ų5571.9 Ų71.946%0.45543%0.429SS..Hα-helixtrans-60.6-41.117600000112A67 Q68 T74 Q75A67-A71 WeakPolarHBondContact O-CB 3.49Å; A67-A71 PolarHBondContact O-N 2.93Å; Q68-A71 PolarHBondContact O-N 3.4Å; A71-T74 PolarHBondContact O-N 3.43Å; A71-Q75 WeakPolarHBondContact O-CB 3.08Å; A71-Q75 PolarHBondContact O-N 3.38Å
72M87.4Confident84Confident87 Ų8771.1 Ų71.143%0.42942%0.423SS..Hα-helixtrans-63-40.7175.5-70.9178.5108.600112.4V5 L64 Q68 A69 V70 H76V5-M72 HydrophobicContact CG1-CB 4.25Å; V5-M72 HydrophobicContact CG2-SD 4.21Å; L64-M72 HydrophobicContact CD1-SD 4.04Å; L64-M72 HydrophobicContact CD2-SD 4.44Å; Q68-M72 VanDerWaalsContact O-CG 3.32Å; Q68-M72 WeakPolarHBondContact O-CG 3.4Å; Q68-M72 PolarHBondContact O-N 3.06Å; A69-M72 PolarHBondContact O-N 3.37Å; V70-M72 VanDerWaalsContact C-N 3.32Å; V70-M72 PolarHBondContact O-N 2.72Å; M72-H76 WeakPolarHBondContact O-CB 3.42Å; M72-H76 PolarHBondContact O-N 2.88Å
73K84Confident84Confident62 Ų6276.2 Ų76.227%0.2744%0.442SS..Hα-helixtrans-58.7-52173.1-177.4-163.5-174.4168.10110.8F9 A69 V70 Q75 H76 Q77F9-K73 HydrophobicContact CB-CD 4.08Å; F9-K73 HydrophobicContact CB-CG 4.3Å; F9-K73 HydrophobicContact CD1-CD 3.76Å; F9-K73 HydrophobicContact CD2-CB 3.58Å; F9-K73 HydrophobicContact CD2-CD 3.55Å; F9-K73 HydrophobicContact CD2-CG 3.58Å; F9-K73 HydrophobicContact CE1-CD 3.98Å; F9-K73 HydrophobicContact CE2-CB 3.55Å; F9-K73 HydrophobicContact CE2-CD 3.81Å; F9-K73 HydrophobicContact CE2-CG 3.99Å; F9-K73 HydrophobicContact CG-CB 4.42Å; F9-K73 HydrophobicContact CG-CD 3.52Å; F9-K73 HydrophobicContact CG-CG 3.95Å; F9-K73 HydrophobicContact CZ-CB 4.34Å; F9-K73 HydrophobicContact CZ-CD 4Å; A69-K73 PolarHBondContact O-N 3.43Å; V70-K73 WeakPolarHBondContact O-CB 3.37Å; V70-K73 PolarHBondContact O-N 2.89Å; K73-Q75 PolarHBondContact O-N 3.46Å; K73-H76 PolarHBondContact O-N 2.76Å; K73-Q77 HydrophobicContact CG-CG 4.48Å; K73-Q77 WeakPolarHBondContact O-CB 3.32Å; K73-Q77 WeakPolarHBondContact O-CG 3.2Å; K73-Q77 PolarHBondContact O-N 3.35Å
74T83.3Confident84.1Confident59 Ų5975 Ų7536%0.36242%0.42SS..Hα-helixtrans-61.5-44.7-177.8-56.50000111.2V70 A71 H76 Q77 Q78V70-T74 PolarHBondContact O-N 2.81Å; V70-T74 PolarHBondContact O-OG1 2.67Å; V70-T74 VanDerWaalsContact O-OG1 3.1Å; A71-T74 PolarHBondContact O-N 3.43Å; T74-H76 VanDerWaalsContact C-N 3.32Å; T74-H76 PolarHBondContact O-N 2.83Å; T74-Q77 PolarHBondContact O-N 3.01Å; T74-Q78 WeakPolarHBondContact O-CB 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.01Å
75Q78.3Confident84.3Confident137 Ų13776.5 Ų76.564%0.6443%0.425SS*.Hα-helixtrans-62-41177.3-171.2-179.95.100111.5A71 K73 A79A71-Q75 WeakPolarHBondContact O-CB 3.08Å; A71-Q75 PolarHBondContact O-N 3.38Å; K73-Q75 PolarHBondContact O-N 3.46Å; Q75-A79 WeakPolarHBondContact O-CB 3.33Å; Q75-A79 PolarHBondContact O-N 3.49Å
76H74.9Confident84.4Confident81 Ų8179.9 Ų79.938%0.37545%0.446SS..Hα-helixtrans-70.9-39.5177.6-167.163.7000113Q6 M72 K73 T74 Q78 A79 S80Q6-H76 VanDerWaalsContact CD-NE2 3.32Å; Q6-H76 HydrophobicContact CG-CB 4.22Å; Q6-H76 PolarHBondContact NE2-CD2 2.91Å; Q6-H76 PolarHBondContact NE2-CE1 3.34Å; Q6-H76 VanDerWaalsContact NE2-CE1 3.32Å; Q6-H76 PolarHBondContact NE2-ND1 2.87Å; Q6-H76 PolarHBondContact NE2-NE2 2.82Å; Q6-H76 PolarHBondContact OE1-CD2 2.84Å; Q6-H76 VanDerWaalsContact OE1-CD2 3.22Å; Q6-H76 PolarHBondContact OE1-NE2 2.71Å; M72-H76 WeakPolarHBondContact O-CB 3.42Å; M72-H76 PolarHBondContact O-N 2.88Å; K73-H76 PolarHBondContact O-N 2.76Å; T74-H76 VanDerWaalsContact C-N 3.32Å; T74-H76 PolarHBondContact O-N 2.83Å; H76-Q78 VanDerWaalsContact C-N 3.33Å; H76-Q78 PolarHBondContact O-N 2.89Å; H76-A79 PolarHBondContact O-N 2.92Å; H76-S80 WeakPolarHBondContact O-CB 3.38Å; H76-S80 PolarHBondContact O-N 3.31Å; H76-S80 PolarHBondContact O-OG 3.3Å
77Q73.3Confident84.6Confident105 Ų10579.7 Ų79.749%0.49144%0.442SS..Hα-helixtrans-60.8-44.9174.8-76.5-179.2-2500110.9K73 T74 A79 S80 S81K73-Q77 HydrophobicContact CG-CG 4.48Å; K73-Q77 WeakPolarHBondContact O-CB 3.32Å; K73-Q77 WeakPolarHBondContact O-CG 3.2Å; K73-Q77 PolarHBondContact O-N 3.35Å; T74-Q77 PolarHBondContact O-N 3.01Å; Q77-A79 PolarHBondContact O-N 3.33Å; Q77-S80 WeakPolarHBondContact CA-OG 3.45Å; Q77-S80 PolarHBondContact O-N 2.88Å; Q77-S80 PolarHBondContact O-OG 2.91Å; Q77-S81 PolarHBondContact O-N 2.85Å; Q77-S81 PolarHBondContact O-OG 3.35Å
78Q71Confident84.9Confident118 Ų11876.8 Ų76.855%0.55142%0.416SS*.Hα-helixtrans-58.9-47.5173.4-73.2176.6-4.400111.3T74 H76 S80 S81 L82T74-Q78 WeakPolarHBondContact O-CB 3.33Å; T74-Q78 WeakPolarHBondContact O-CG 3.46Å; T74-Q78 PolarHBondContact O-N 3.01Å; H76-Q78 VanDerWaalsContact C-N 3.33Å; H76-Q78 PolarHBondContact O-N 2.89Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; Q78-S80 PolarHBondContact O-N 3.48Å; Q78-S81 PolarHBondContact O-N 2.72Å; Q78-S81 PolarHBondContact O-OG 3.22Å; Q78-L82 WeakPolarHBondContact O-CD1 3.41Å; Q78-L82 PolarHBondContact O-N 3.09Å; Q78-L82 VanDerWaalsContact O-N 3.1Å
79A67.8Low85.3Confident51 Ų5176.2 Ų76.242%0.42142%0.419SS..Hα-helixtrans-62.3-38177.300000113.1Q75 H76 Q77 S81 L82Q75-A79 WeakPolarHBondContact O-CB 3.33Å; Q75-A79 PolarHBondContact O-N 3.49Å; H76-A79 PolarHBondContact O-N 2.92Å; Q77-A79 PolarHBondContact O-N 3.33Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.49Å; A79-L82 WeakPolarHBondContact O-CB 3.39Å; A79-L82 PolarHBondContact O-N 2.75Å
80S70.8Confident85.6Confident77 Ų7778.7 Ų78.754%0.53844%0.435SS..Hα-helixtrans-69.3-27.1177.7740000113.1H76 Q77 Q78H76-S80 WeakPolarHBondContact O-CB 3.38Å; H76-S80 PolarHBondContact O-N 3.31Å; H76-S80 PolarHBondContact O-OG 3.3Å; Q77-S80 WeakPolarHBondContact CA-OG 3.45Å; Q77-S80 PolarHBondContact O-N 2.88Å; Q77-S80 PolarHBondContact O-OG 2.91Å; Q78-S80 VanDerWaalsContact C-N 3.34Å; Q78-S80 PolarHBondContact O-N 3.48Å
81S77.8Confident86Confident84 Ų8479.3 Ų79.359%0.58744%0.435SS*.Hα-helixtrans-82.2-19.1174.372.10000112.9Q77 Q78 A79 K83Q77-S81 PolarHBondContact O-N 2.85Å; Q77-S81 PolarHBondContact O-OG 3.35Å; Q78-S81 PolarHBondContact O-N 2.72Å; Q78-S81 PolarHBondContact O-OG 3.22Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.49Å; S81-K83 PolarHBondContact O-N 3.05Å
82L85.3Confident86.4Confident56 Ų5681.1 Ų81.129%0.29343%0.431SS..  trans-67.7122178.5-112.394.2000109.9Q78 A79 L97 D98 V101Q78-L82 WeakPolarHBondContact O-CD1 3.41Å; Q78-L82 PolarHBondContact O-N 3.09Å; Q78-L82 VanDerWaalsContact O-N 3.1Å; A79-L82 WeakPolarHBondContact O-CB 3.39Å; A79-L82 PolarHBondContact O-N 2.75Å; L82-L97 HydrophobicContact CB-CD2 4.42Å; L82-L97 WeakPolarHBondContact O-CD2 3.3Å; L82-D98 HydrophobicContact CD2-CB 3.83Å; L82-V101 HydrophobicContact CD2-CB 3.96Å; L82-V101 HydrophobicContact CD2-CG1 4.3Å; L82-V101 HydrophobicContact CD2-CG2 3.93Å; L82-V101 HydrophobicContact CG-CG2 4.46Å
83K92.6Very high86.7Confident166 Ų16681.4 Ų81.472%0.72243%0.431SS*.  trans-135.1145.5175.3-65-175.4-179.3-178.80108.9S81 V101S81-K83 PolarHBondContact O-N 3.05Å; K83-V101 WeakPolarHBondContact O-CG2 3.47Å
84L95.3Very high87.1Confident41 Ų4181.4 Ų81.422%0.21543%0.432CS..  trans-62.3148.2168.6-69.2169000109.7V88 V90 L97 Q100 V101 S104 F159L84-V88 HydrophobicContact CB-CB 4.27Å; L84-V88 HydrophobicContact CB-CG1 4.45Å; L84-V88 HydrophobicContact CD1-CG1 4.3Å; L84-V88 HydrophobicContact CD2-CG1 4.27Å; L84-V90 HydrophobicContact CD1-CG2 3.34Å; L84-L97 HydrophobicContact CG-CD1 4.12Å; L84-Q100 HydrophobicContact CD2-CB 3.92Å; L84-V101 HydrophobicContact CD2-CG2 3.87Å; L84-V101 HydrophobicContact CG-CG2 4.28Å; L84-S104 WeakPolarHBondContact CD2-OG 3.46Å; L84-F159 HydrophobicContact CD2-CZ 4.45Å
85H95.6Very high87.5Confident72 Ų7278.8 Ų78.833%0.33342%0.416SS..  trans-58141.2172.8-177.1-82.2000109.7D87 V88 I108H85-D87 IonicContact CE1-OD1 3.8Å; H85-D87 IonicContact CE1-OD2 2.67Å; H85-D87 WeakPolarHBondContact ND1-CB 3.32Å; H85-D87 PolarHBondContact ND1-N 2.79Å; H85-D87 VanDerWaalsContact ND1-N 3.15Å; H85-D87 PolarHBondContact O-N 3.27Å; H85-V88 HydrophobicContact CB-CG2 3.96Å; H85-V88 VanDerWaalsContact O-CB 3.31Å; H85-V88 WeakPolarHBondContact O-CB 3.42Å; H85-V88 PolarHBondContact O-N 3.4Å; H85-I108 HydrophobicContact CB-CD1 3.71Å
86P95Very high88.1Confident118 Ų11875 Ų7577%0.76640%0.403SS*.THydrogen-bonded Turntrans-54.7-31-175.2-28.935.5000115.3V88P86-V88 PolarHBondContact O-N 3.42Å
87D95.4Very high88.9Confident61 Ų6174.6 Ų74.633%0.32640%0.403SS..THydrogen-bonded Turntrans-74-7.2177.5-68.19.1000114.1H85 V163 R164H85-D87 IonicContact CE1-OD1 3.8Å; H85-D87 IonicContact CE1-OD2 2.67Å; H85-D87 WeakPolarHBondContact ND1-CB 3.32Å; H85-D87 PolarHBondContact ND1-N 2.79Å; H85-D87 VanDerWaalsContact ND1-N 3.15Å; H85-D87 PolarHBondContact O-N 3.27Å; D87-V163 HydrophobicContact CB-CG1 4.32Å; D87-R164 IonicContact OD2-NE 3.95Å; D87-R164 IonicContact OD2-NH2 3.38Å
88V97.7Very high89.8Confident15 Ų1573.7 Ų73.79%0.09140%0.402CS..EExtended strand (participates in β ladder)trans-89.4118.1-177.7-179.80000109.7L84 H85 P86 I108 F161 R162 V163L84-V88 HydrophobicContact CB-CB 4.27Å; L84-V88 HydrophobicContact CB-CG1 4.45Å; L84-V88 HydrophobicContact CD1-CG1 4.3Å; L84-V88 HydrophobicContact CD2-CG1 4.27Å; H85-V88 HydrophobicContact CB-CG2 3.96Å; H85-V88 VanDerWaalsContact O-CB 3.31Å; H85-V88 WeakPolarHBondContact O-CB 3.42Å; H85-V88 PolarHBondContact O-N 3.4Å; P86-V88 PolarHBondContact O-N 3.42Å; V88-I108 HydrophobicContact CG2-CD1 3.87Å; V88-F161 HydrophobicContact CG1-CB 4.07Å; V88-F161 HydrophobicContact CG1-CD2 4.05Å; V88-F161 HydrophobicContact CG1-CG 4.37Å; V88-R162 WeakPolarHBondContact CA-O 3.43Å; V88-V163 HydrophobicContact CG2-CG2 4.19Å
89V97.6Very high90.9Very high90 Ų9071.5 Ų71.555%0.54539%0.388SS..EExtended strand (participates in β ladder)trans-106.3114.9170.6-179.80000108.6F161 R162V89-F161 CarbonylContact O-C 3.5Å; V89-F161 VanDerWaalsContact O-CA 3.28Å; V89-F161 WeakPolarHBondContact O-CA 3.09Å; V89-R162 HydrophobicContact CB-CB 4.26Å; V89-R162 PolarHBondContact N-O 3.48Å; V89-R162 PolarHBondContact O-N 2.85Å
90V97.7Very high92.2Very high53 Ų5369.2 Ų69.232%0.32137%0.369SS..EExtended strand (participates in β ladder)trans-73.6130.5176.2-178.50000109.7L84 E93 F159L84-V90 HydrophobicContact CD1-CG2 3.34Å; V90-E93 HydrophobicContact CG1-CB 4.08Å; V90-E93 HydrophobicContact CG1-CG 4.13Å; V90-F159 HydrophobicContact CG1-CE2 4.11Å; V90-F159 HydrophobicContact CG2-CE2 4.03Å; V90-F159 HydrophobicContact CG2-CZ 4.46Å
91I97Very high93.5Very high78 Ų7866.3 Ų66.340%0.435%0.348SS..EExtended strand (participates in β ladder)trans-101.9-43.9174.3-59.8174.4000109.7F147 I160 R162I91-F147 HydrophobicContact CD1-CE1 4.07Å; I91-F147 HydrophobicContact CD1-CZ 4.05Å; I91-F147 HydrophobicContact CG2-CZ 4.47Å; I91-I160 WeakPolarHBondContact CA-O 3.32Å; I91-I160 HydrophobicContact CB-CB 4.19Å; I91-I160 HydrophobicContact CB-CG2 3.83Å; I91-I160 HydrophobicContact CD1-CG2 4.03Å; I91-I160 HydrophobicContact CG1-CG2 4.43Å; I91-I160 HydrophobicContact CG2-CG2 4.11Å; I91-I160 PolarHBondContact N-O 2.98Å; I91-R162 HydrophobicContact CD1-CB 4.27Å
92Y96.3Very high94.4Very high93 Ų9363.9 Ų63.937%0.36533%0.333SS..EExtended strand (participates in β ladder)trans-155.2141.3177.9178.4-103.7000110.3Q94 C158 I160Y92-Q94 HydrophobicContact CE1-CG 3.91Å; Y92-Q94 PolarHBondContact OH-NE2 3.48Å; Y92-C158 HydrophobicContact CD1-CB 4.46Å; Y92-C158 HydrophobicContact CE1-CB 4.06Å; Y92-I160 HydrophobicContact CD1-CD1 4.45Å; Y92-I160 HydrophobicContact CD1-CG1 4.47Å; Y92-I160 PolarHBondContact N-O 3.09Å; Y92-I160 PolarHBondContact O-N 3.45Å; Y92-I160 VanDerWaalsContact O-O 3.12Å
93E94.6Very high95Very high92 Ų9261.2 Ų61.243%0.4332%0.319SS..EExtended strand (participates in β ladder)trans-144.5144.6179.961.8170.5-127.300112.7V90 Q100 F159V90-E93 HydrophobicContact CG1-CB 4.08Å; V90-E93 HydrophobicContact CG1-CG 4.13Å; E93-Q100 PolarHBondContact OE1-NE2 3.28Å; E93-Q100 VanDerWaalsContact OE1-NE2 3.12Å; E93-Q100 PolarHBondContact OE2-NE2 3.34Å; E93-Q100 PolarHBondContact OE2-OE1 3.04Å; E93-F159 HydrophobicContact CB-CD2 4Å; E93-F159 HydrophobicContact CB-CE2 4.43Å
94Q92.7Very high95.2Very high62 Ų6253.3 Ų53.329%0.2929%0.285SS..  trans-137.50.2161.7-59.5-171.2-28.800112.3Y92 H153 N156 C158Y92-Q94 HydrophobicContact CE1-CG 3.91Å; Y92-Q94 PolarHBondContact OH-NE2 3.48Å; Q94-H153 PolarHBondContact OE1-CE1 3.29Å; Q94-N156 CarbonylContact O-C 3.59Å; Q94-N156 VanDerWaalsContact O-CA 3.26Å; Q94-N156 WeakPolarHBondContact O-CA 3.23Å; Q94-C158 PolarHBondContact N-O 3.22Å
95L91.5Very high95.3Very high5 Ų554.7 Ų54.73%0.02629%0.292CS..SBendtrans-80.6146.6174.4-80.8165.5000109.9R99 Q100 I103 W138 N156 K157 C158 F159L95-R99 HydrophobicContact CB-CB 4.33Å; L95-R99 HydrophobicContact CD2-CB 4.18Å; L95-Q100 HydrophobicContact CB-CG 4.06Å; L95-Q100 PolarHBondContact O-NE2 3.32Å; L95-I103 HydrophobicContact CD1-CD1 3.51Å; L95-W138 HydrophobicContact CD1-CH2 4.1Å; L95-W138 HydrophobicContact CD1-CZ3 4.32Å; L95-W138 HydrophobicContact CD2-CH2 4.23Å; L95-N156 WeakPolarHBondContact CD2-O 3.36Å; L95-K157 HydrophobicContact CD2-CD 4.45Å; L95-C158 PolarHBondContact N-O 3.45Å; L95-F159 HydrophobicContact CD1-CB 3.55Å; L95-F159 HydrophobicContact CD1-CG 4.45Å; L95-F159 HydrophobicContact CG-CB 4.42Å
96P90.7Very high95.4Very high58 Ų5853.2 Ų53.238%0.37729%0.285SS..  trans-63.8151170.330.4-36000110.7D98 R99 Q100P96-D98 VanDerWaalsContact CB-OD1 3.23Å; P96-D98 WeakPolarHBondContact CB-OD1 3.28Å; P96-D98 VanDerWaalsContact CG-OD1 3.28Å; P96-D98 WeakPolarHBondContact CG-OD1 3.46Å; P96-D98 PolarHBondContact O-N 2.95Å; P96-D98 VanDerWaalsContact O-N 3.14Å; P96-R99 HydrophobicContact CG-CB 4.34Å; P96-R99 HydrophobicContact CG-CG 4.03Å; P96-R99 PolarHBondContact O-N 3.09Å; P96-Q100 PolarHBondContact O-N 3.1Å; P96-Q100 VanDerWaalsContact O-N 3.1Å
97L91.4Very high95.4Very high71 Ų7147.6 Ų47.637%0.37225%0.248SC..Hα-helixtrans-55.1-35.5-170.3-17960.9000113.5L82 L84 R99 Q100 V101L82-L97 HydrophobicContact CB-CD2 4.42Å; L82-L97 WeakPolarHBondContact O-CD2 3.3Å; L84-L97 HydrophobicContact CG-CD1 4.12Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.03Å; L97-Q100 PolarHBondContact O-N 2.86Å; L97-V101 HydrophobicContact CD1-CG2 4.16Å; L97-V101 HydrophobicContact CG-CG2 4.35Å; L97-V101 VanDerWaalsContact O-CG2 3.32Å; L97-V101 WeakPolarHBondContact O-CG2 2.86Å; L97-V101 PolarHBondContact O-N 3.29Å
98D91Very high95.4Very high87 Ų8746 Ų4647%0.46524%0.239SC..Hα-helixtrans-58.2-42.6175.766.8-49.3000113.2L82 P96 A102L82-D98 HydrophobicContact CD2-CB 3.83Å; P96-D98 VanDerWaalsContact CB-OD1 3.23Å; P96-D98 WeakPolarHBondContact CB-OD1 3.28Å; P96-D98 VanDerWaalsContact CG-OD1 3.28Å; P96-D98 WeakPolarHBondContact CG-OD1 3.46Å; P96-D98 PolarHBondContact O-N 2.95Å; P96-D98 VanDerWaalsContact O-N 3.14Å; D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 2.93Å
99R94.2Very high95.2Very high71 Ų7150 Ų5027%0.26826%0.257SS..Hα-helixtrans-73.7-37.1176.3-64.5-174.1-177.3162.31.7111.5L95 P96 L97 V101 A102 I103 Y134L95-R99 HydrophobicContact CB-CB 4.33Å; L95-R99 HydrophobicContact CD2-CB 4.18Å; P96-R99 HydrophobicContact CG-CB 4.34Å; P96-R99 HydrophobicContact CG-CG 4.03Å; P96-R99 PolarHBondContact O-N 3.09Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 3.03Å; R99-V101 VanDerWaalsContact C-N 3.34Å; R99-V101 PolarHBondContact O-N 3.07Å; R99-A102 PolarHBondContact O-N 2.94Å; R99-I103 HydrophobicContact CB-CD1 4.44Å; R99-I103 VanDerWaalsContact O-CB 3.29Å; R99-I103 WeakPolarHBondContact O-CB 3.32Å; R99-I103 WeakPolarHBondContact O-CD1 3.35Å; R99-I103 WeakPolarHBondContact O-CG1 3.27Å; R99-I103 PolarHBondContact O-N 2.83Å; R99-Y134 HydrophobicContact CG-CE1 4.15Å
100Q96.9Very high95Very high3 Ų346 Ų461%0.01423%0.233CC..Hα-helixtrans-60.7-44.9174.9-58.7174.824.800111.6L84 E93 L95 P96 L97 I103 S104 F159L84-Q100 HydrophobicContact CD2-CB 3.92Å; E93-Q100 PolarHBondContact OE1-NE2 3.28Å; E93-Q100 VanDerWaalsContact OE1-NE2 3.12Å; E93-Q100 PolarHBondContact OE2-NE2 3.34Å; E93-Q100 PolarHBondContact OE2-OE1 3.04Å; L95-Q100 HydrophobicContact CB-CG 4.06Å; L95-Q100 PolarHBondContact O-NE2 3.32Å; P96-Q100 PolarHBondContact O-N 3.1Å; P96-Q100 VanDerWaalsContact O-N 3.1Å; L97-Q100 PolarHBondContact O-N 2.86Å; Q100-I103 PolarHBondContact O-N 3.35Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.39Å; Q100-S104 PolarHBondContact O-N 2.95Å; Q100-S104 PolarHBondContact O-OG 3.13Å; Q100-F159 HydrophobicContact CB-CD1 4.38Å; Q100-F159 HydrophobicContact CB-CE1 3.86Å; Q100-F159 HydrophobicContact CB-CE2 4.09Å; Q100-F159 HydrophobicContact CB-CZ 3.71Å; Q100-F159 HydrophobicContact CG-CD1 4.49Å; Q100-F159 HydrophobicContact CG-CD2 4.12Å; Q100-F159 HydrophobicContact CG-CE1 4.37Å; Q100-F159 HydrophobicContact CG-CE2 3.97Å; Q100-F159 HydrophobicContact CG-CG 4.39Å; Q100-F159 HydrophobicContact CG-CZ 4.11Å; Q100-F159 WeakPolarHBondContact O-CE1 3.45Å
101V96.2Very high94.6Very high17 Ų1745 Ų4510%0.10323%0.225CC..Hα-helixtrans-61.6-48.41761720000110.6L82 K83 L84 L97 R99 I103 S104 N105L82-V101 HydrophobicContact CD2-CB 3.96Å; L82-V101 HydrophobicContact CD2-CG1 4.3Å; L82-V101 HydrophobicContact CD2-CG2 3.93Å; L82-V101 HydrophobicContact CG-CG2 4.46Å; K83-V101 WeakPolarHBondContact O-CG2 3.47Å; L84-V101 HydrophobicContact CD2-CG2 3.87Å; L84-V101 HydrophobicContact CG-CG2 4.28Å; L97-V101 HydrophobicContact CD1-CG2 4.16Å; L97-V101 HydrophobicContact CG-CG2 4.35Å; L97-V101 VanDerWaalsContact O-CG2 3.32Å; L97-V101 WeakPolarHBondContact O-CG2 2.86Å; L97-V101 PolarHBondContact O-N 3.29Å; R99-V101 VanDerWaalsContact C-N 3.34Å; R99-V101 PolarHBondContact O-N 3.07Å; V101-I103 PolarHBondContact O-N 3.22Å; V101-S104 PolarHBondContact O-OG 2.95Å; V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.46Å; V101-N105 PolarHBondContact O-N 3.24Å; V101-N105 PolarHBondContact O-ND2 3.18Å
102A96.6Very high94.2Very high33 Ų3345.6 Ų45.627%0.27323%0.233SC..Hα-helixtrans-60.6-46.3178.900000112.5D98 R99 K106 W129D98-A102 WeakPolarHBondContact O-CB 3.22Å; D98-A102 PolarHBondContact O-N 2.93Å; R99-A102 PolarHBondContact O-N 2.94Å; A102-K106 WeakPolarHBondContact O-CB 3.4Å; A102-K106 PolarHBondContact O-N 2.98Å; A102-W129 HydrophobicContact CB-CH2 4.28Å
103I97.9Very high93.6Very high0 Ų045.2 Ų45.20%024%0.244CC..Hα-helixtrans-68.5-46.4-177.3-65.8169.6000111.2L95 R99 Q100 V101 K106 A107 W129 L130 Y134 F159 F161L95-I103 HydrophobicContact CD1-CD1 3.51Å; R99-I103 HydrophobicContact CB-CD1 4.44Å; R99-I103 VanDerWaalsContact O-CB 3.29Å; R99-I103 WeakPolarHBondContact O-CB 3.32Å; R99-I103 WeakPolarHBondContact O-CD1 3.35Å; R99-I103 WeakPolarHBondContact O-CG1 3.27Å; R99-I103 PolarHBondContact O-N 2.83Å; Q100-I103 PolarHBondContact O-N 3.35Å; V101-I103 PolarHBondContact O-N 3.22Å; I103-K106 PolarHBondContact O-N 3.33Å; I103-A107 PolarHBondContact O-N 3.08Å; I103-W129 HydrophobicContact CG1-CZ3 4.06Å; I103-L130 HydrophobicContact CD1-CD2 3.73Å; I103-L130 HydrophobicContact CG1-CD2 3.7Å; I103-Y134 HydrophobicContact CD1-CE2 4.27Å; I103-Y134 HydrophobicContact CG1-CE2 4.09Å; I103-F159 HydrophobicContact CB-CD1 4.37Å; I103-F159 HydrophobicContact CG2-CD1 4.16Å; I103-F161 HydrophobicContact CG2-CE1 4.12Å; I103-F161 HydrophobicContact CG2-CZ 4.41Å
104S97.9Very high92.6Very high0 Ų043.8 Ų43.80%024%0.244CC..Hα-helixtrans-66.7-39.6179.757.60000112.1L84 Q100 V101 K106 A107 I108L84-S104 WeakPolarHBondContact CD2-OG 3.46Å; Q100-S104 VanDerWaalsContact O-CB 3.3Å; Q100-S104 WeakPolarHBondContact O-CB 3.39Å; Q100-S104 PolarHBondContact O-N 2.95Å; Q100-S104 PolarHBondContact O-OG 3.13Å; V101-S104 PolarHBondContact O-OG 2.95Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 3.49Å; S104-A107 PolarHBondContact O-N 3.06Å; S104-I108 WeakPolarHBondContact O-CG1 3.34Å; S104-I108 PolarHBondContact O-N 3.31Å
105N97.1Very high91.6Very high69 Ų6951.6 Ų51.637%0.36928%0.277SS..Hα-helixtrans-62.7-40.2173-74.3-16.7000111.7V101 A107 I108 E109V101-N105 VanDerWaalsContact O-CB 3.23Å; V101-N105 WeakPolarHBondContact O-CB 3.46Å; V101-N105 PolarHBondContact O-N 3.24Å; V101-N105 PolarHBondContact O-ND2 3.18Å; N105-A107 VanDerWaalsContact C-N 3.33Å; N105-A107 PolarHBondContact O-N 2.93Å; N105-I108 PolarHBondContact O-N 3.24Å; N105-E109 WeakPolarHBondContact O-CB 3.44Å; N105-E109 PolarHBondContact O-N 3.26Å
106K97.2Very high90.8Very high42 Ų4259.8 Ų59.818%0.18331%0.312CS..Hα-helixtrans-63.9-40175.5-170.865-174.5171.40111.9A102 I103 S104 E109 L110 L126 W129A102-K106 WeakPolarHBondContact O-CB 3.4Å; A102-K106 PolarHBondContact O-N 2.98Å; I103-K106 PolarHBondContact O-N 3.33Å; S104-K106 VanDerWaalsContact C-N 3.33Å; S104-K106 PolarHBondContact O-N 3.49Å; K106-E109 VanDerWaalsContact CD-OE2 3.3Å; K106-E109 WeakPolarHBondContact CD-OE2 3.4Å; K106-E109 IonicContact NZ-OE1 2.83Å; K106-E109 PolarHBondContact NZ-OE1 2.81Å; K106-E109 IonicContact NZ-OE2 2.76Å; K106-E109 PolarHBondContact NZ-OE2 3.21Å; K106-E109 PolarHBondContact O-N 3.5Å; K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 2.99Å; K106-L126 HydrophobicContact CB-CD1 4.22Å; K106-L126 HydrophobicContact CG-CD1 3.96Å; K106-W129 HydrophobicContact CB-CD2 4.45Å; K106-W129 HydrophobicContact CB-CE3 4.18Å; K106-W129 HydrophobicContact CB-CH2 4.24Å; K106-W129 HydrophobicContact CB-CZ3 4.06Å; K106-W129 HydrophobicContact CD-CD2 4.24Å; K106-W129 HydrophobicContact CD-CG 4.36Å; K106-W129 HydrophobicContact CG-CD2 3.78Å; K106-W129 HydrophobicContact CG-CE3 3.83Å; K106-W129 HydrophobicContact CG-CG 4.19Å; K106-W129 HydrophobicContact CG-CZ3 4.24Å
107A96.2Very high89.8Confident0 Ų059.3 Ų59.30%031%0.305CS..Hα-helixtrans-62.8-41.2174.300000112.1I103 S104 N105 L110 L111 L126 F161 Y168I103-A107 PolarHBondContact O-N 3.08Å; S104-A107 PolarHBondContact O-N 3.06Å; N105-A107 VanDerWaalsContact C-N 3.33Å; N105-A107 PolarHBondContact O-N 2.93Å; A107-L110 PolarHBondContact O-N 2.92Å; A107-L111 VanDerWaalsContact O-CB 3.27Å; A107-L111 WeakPolarHBondContact O-CB 3.47Å; A107-L111 PolarHBondContact O-N 3.39Å; A107-L126 HydrophobicContact CB-CD2 4.32Å; A107-F161 HydrophobicContact CB-CE2 3.94Å; A107-F161 HydrophobicContact CB-CZ 3.72Å; A107-Y168 HydrophobicContact CB-CD1 4.17Å; A107-Y168 HydrophobicContact CB-CE1 3.88Å; A107-Y168 HydrophobicContact CB-CE2 4.33Å
108I95.3Very high89.5Confident27 Ų2759.9 Ų59.914%0.13831%0.308CS..Hα-helixtrans-63.9-43174.9-68.4164.4000111.4H85 V88 S104 N105 L110 L111 T112 V163H85-I108 HydrophobicContact CB-CD1 3.71Å; V88-I108 HydrophobicContact CG2-CD1 3.87Å; S104-I108 WeakPolarHBondContact O-CG1 3.34Å; S104-I108 PolarHBondContact O-N 3.31Å; N105-I108 PolarHBondContact O-N 3.24Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 3.45Å; I108-L111 WeakPolarHBondContact O-CB 3.43Å; I108-L111 PolarHBondContact O-N 3.39Å; I108-T112 HydrophobicContact CG2-CG2 4.43Å; I108-T112 WeakPolarHBondContact O-CB 3.07Å; I108-T112 WeakPolarHBondContact O-CG2 3.43Å; I108-T112 PolarHBondContact O-N 2.96Å; I108-T112 PolarHBondContact O-OG1 3.22Å; I108-V163 HydrophobicContact CD1-CG2 4.46Å; I108-V163 HydrophobicContact CG1-CG1 3.92Å; I108-V163 HydrophobicContact CG1-CG2 3.99Å
109E94.2Very high89.3Confident99 Ų9959.2 Ų59.246%0.46330%0.302SS..Hα-helixtrans-58.4-47.3176-173.7-158.7137.600110.8N105 K106 L111 T112 S113N105-E109 WeakPolarHBondContact O-CB 3.44Å; N105-E109 PolarHBondContact O-N 3.26Å; K106-E109 VanDerWaalsContact CD-OE2 3.3Å; K106-E109 WeakPolarHBondContact CD-OE2 3.4Å; K106-E109 IonicContact NZ-OE1 2.83Å; K106-E109 PolarHBondContact NZ-OE1 2.81Å; K106-E109 IonicContact NZ-OE2 2.76Å; K106-E109 PolarHBondContact NZ-OE2 3.21Å; K106-E109 PolarHBondContact O-N 3.5Å; E109-L111 PolarHBondContact O-N 3.32Å; E109-T112 PolarHBondContact O-N 3Å; E109-T112 PolarHBondContact O-OG1 3.04Å; E109-S113 WeakPolarHBondContact O-CB 3.46Å; E109-S113 PolarHBondContact O-N 2.89Å; E109-S113 PolarHBondContact O-OG 3.37Å
110L92.9Very high89Confident7 Ų763.6 Ų63.64%0.03732%0.323CS..Hα-helixtrans-66.2-37.3177.4-67.6174.2000112.3K106 A107 I108 T112 S113 Q122 Q125 L126K106-L110 HydrophobicContact CG-CD1 4.41Å; K106-L110 WeakPolarHBondContact O-CG 3.4Å; K106-L110 PolarHBondContact O-N 2.99Å; A107-L110 PolarHBondContact O-N 2.92Å; I108-L110 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 3.45Å; L110-T112 VanDerWaalsContact C-N 3.28Å; L110-T112 PolarHBondContact O-N 3.46Å; L110-S113 PolarHBondContact O-OG 3.43Å; L110-Q122 HydrophobicContact CB-CG 4.22Å; L110-Q122 PolarHBondContact O-NE2 2.83Å; L110-Q125 HydrophobicContact CD1-CB 4.07Å; L110-Q125 HydrophobicContact CD2-CB 4Å; L110-L126 HydrophobicContact CD1-CB 3.83Å; L110-L126 HydrophobicContact CD1-CD1 4.35Å
111L89.3Confident88.8Confident31 Ų3167.1 Ų67.116%0.16234%0.342CS..Hα-helixtrans-62.1-33.8175.3176.863.2000112.6A107 I108 E109 F117 Q122 V163A107-L111 VanDerWaalsContact O-CB 3.27Å; A107-L111 WeakPolarHBondContact O-CB 3.47Å; A107-L111 PolarHBondContact O-N 3.39Å; I108-L111 WeakPolarHBondContact O-CB 3.43Å; I108-L111 PolarHBondContact O-N 3.39Å; E109-L111 PolarHBondContact O-N 3.32Å; L111-F117 HydrophobicContact CD1-CD2 3.48Å; L111-F117 VanDerWaalsContact CD1-CD2 3.48Å; L111-F117 HydrophobicContact CD1-CE2 3.1Å; L111-F117 HydrophobicContact CD1-CZ 3.96Å; L111-F117 HydrophobicContact CG-CE2 4.37Å; L111-Q122 VanDerWaalsContact CA-NE2 3.34Å; L111-V163 HydrophobicContact CD2-CB 4.39Å; L111-V163 HydrophobicContact CD2-CG1 3.74Å
112T88.5Confident88.7Confident91 Ų9166.6 Ų66.656%0.55834%0.338SS*.Hα-helixtrans-98.8-18.8-172.652.80000114.4I108 E109 L110I108-T112 HydrophobicContact CG2-CG2 4.43Å; I108-T112 WeakPolarHBondContact O-CB 3.07Å; I108-T112 WeakPolarHBondContact O-CG2 3.43Å; I108-T112 PolarHBondContact O-N 2.96Å; I108-T112 PolarHBondContact O-OG1 3.22Å; E109-T112 PolarHBondContact O-N 3Å; E109-T112 PolarHBondContact O-OG1 3.04Å; L110-T112 VanDerWaalsContact C-N 3.28Å; L110-T112 PolarHBondContact O-N 3.46Å
113S84.1Confident88.7Confident84 Ų8466 Ų6659%0.58733%0.334SS*.Hα-helixtrans-75.4-24.5-174.460.20000114.8E109 L110E109-S113 WeakPolarHBondContact O-CB 3.46Å; E109-S113 PolarHBondContact O-N 2.89Å; E109-S113 PolarHBondContact O-OG 3.37Å; L110-S113 PolarHBondContact O-OG 3.43Å
114S71.9Confident88.6Confident63 Ų6369.1 Ų69.144%0.44135%0.352SS..  trans-101.7134-177.8-172.70000113K116S114-K116 WeakPolarHBondContact CB-O 3.25Å; S114-K116 PolarHBondContact O-N 3.01Å; S114-K116 PolarHBondContact OG-N 3.5Å; S114-K116 PolarHBondContact OG-O 3.34Å
115K72.8Confident88.5Confident226 Ų22672.7 Ų72.798%0.98337%0.369SS*.SBendtrans-61.5-28.6170.3-81.5-174.5177.6179.30112.7
116K74Confident88.5Confident177 Ų17769.4 Ų69.477%0.7735%0.352SS*.SBendtrans-125.3111.3176.8-168178-179.3-176.30107.9S114 D118S114-K116 WeakPolarHBondContact CB-O 3.25Å; S114-K116 PolarHBondContact O-N 3.01Å; S114-K116 PolarHBondContact OG-N 3.5Å; S114-K116 PolarHBondContact OG-O 3.34Å; K116-D118 PolarHBondContact O-N 3.35Å
117F69.8Low88.5Confident48 Ų4870.7 Ų70.721%0.21136%0.357CS..  trans-60.6118.3177-173.7-105.5000109.7L111 E119 K144 V166L111-F117 HydrophobicContact CD1-CD2 3.48Å; L111-F117 VanDerWaalsContact CD1-CD2 3.48Å; L111-F117 HydrophobicContact CD1-CE2 3.1Å; L111-F117 HydrophobicContact CD1-CZ 3.96Å; L111-F117 HydrophobicContact CG-CE2 4.37Å; F117-E119 VanDerWaalsContact CD1-CD 3.46Å; F117-E119 HydrophobicContact CD1-CG 4.04Å; F117-E119 VanDerWaalsContact CD1-OE1 3.28Å; F117-E119 WeakPolarHBondContact CD1-OE1 3.44Å; F117-E119 HydrophobicContact CE1-CB 4.44Å; F117-E119 HydrophobicContact CE1-CG 3.43Å; F117-E119 VanDerWaalsContact CE1-CG 3.43Å; F117-E119 WeakPolarHBondContact CE1-OE1 3.26Å; F117-E119 HydrophobicContact CZ-CG 4.22Å; F117-K144 VanDerWaalsContact CE1-CE 3.5Å; F117-V166 HydrophobicContact CE1-CG2 4.46Å; F117-V166 HydrophobicContact CZ-CG1 4.28Å; F117-V166 HydrophobicContact CZ-CG2 4.1Å
118D85.4Confident88.6Confident83 Ų8376 Ų7644%0.44438%0.382SS..  trans-117.3102.1172.3-176.4-22.6000107.8K116 K120 D121 Q122K116-D118 PolarHBondContact O-N 3.35Å; D118-K120 PolarHBondContact O-N 2.88Å; D118-K120 WeakPolarHBondContact OD1-CB 3.33Å; D118-K120 PolarHBondContact OD1-N 2.96Å; D118-D121 HydrophobicContact CB-CB 4.04Å; D118-D121 PolarHBondContact O-N 3.45Å; D118-D121 PolarHBondContact OD1-N 2.93Å; D118-Q122 WeakPolarHBondContact O-CG 3.18Å; D118-Q122 PolarHBondContact O-N 3.35Å; D118-Q122 VanDerWaalsContact O-N 3.1Å
119E86.2Confident88.7Confident72 Ų7277.9 Ų77.934%0.33639%0.387SS..Hα-helixtrans-54.2-38.4179.9-70.779.3177.300112.2F117 A123 I142 K144F117-E119 VanDerWaalsContact CD1-CD 3.46Å; F117-E119 HydrophobicContact CD1-CG 4.04Å; F117-E119 VanDerWaalsContact CD1-OE1 3.28Å; F117-E119 WeakPolarHBondContact CD1-OE1 3.44Å; F117-E119 HydrophobicContact CE1-CB 4.44Å; F117-E119 HydrophobicContact CE1-CG 3.43Å; F117-E119 VanDerWaalsContact CE1-CG 3.43Å; F117-E119 WeakPolarHBondContact CE1-OE1 3.26Å; F117-E119 HydrophobicContact CZ-CG 4.22Å; E119-A123 WeakPolarHBondContact O-CB 3.41Å; E119-A123 PolarHBondContact O-N 3.45Å; E119-I142 HydrophobicContact CG-CG2 4.43Å; E119-K144 WeakPolarHBondContact OE1-CE 3.45Å; E119-K144 IonicContact OE1-NZ 2.71Å; E119-K144 PolarHBondContact OE1-NZ 2.75Å
120K89.6Confident88.9Confident163 Ų16373.1 Ų73.171%0.70937%0.365SS*.Hα-helixtrans-70.3-47.2-174.9-179.5-174.5174.8-1750110D118 Q122 A123 V124D118-K120 PolarHBondContact O-N 2.88Å; D118-K120 WeakPolarHBondContact OD1-CB 3.33Å; D118-K120 PolarHBondContact OD1-N 2.96Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 2.72Å; K120-A123 PolarHBondContact O-N 3.5Å; K120-V124 WeakPolarHBondContact O-CG2 3.49Å; K120-V124 PolarHBondContact O-N 3.03Å; K120-V124 VanDerWaalsContact O-N 3.15Å
121D91.9Very high89.1Confident78 Ų7873.9 Ų73.942%0.41737%0.369SS..Hα-helixtrans-63.3-41.8179.3-172.254000111.2D118 A123 V124 Q125D118-D121 HydrophobicContact CB-CB 4.04Å; D118-D121 PolarHBondContact O-N 3.45Å; D118-D121 PolarHBondContact OD1-N 2.93Å; D121-A123 PolarHBondContact O-N 3.46Å; D121-V124 PolarHBondContact O-N 2.8Å; D121-Q125 WeakPolarHBondContact O-CG 3.1Å; D121-Q125 PolarHBondContact O-N 2.91Å; D121-Q125 PolarHBondContact OD2-NE2 2.74Å
122Q93.9Very high89.4Confident6 Ų679.2 Ų79.23%0.02840%0.396CS..Hα-helixtrans-62.5-42.6175.6-72.5-170.48.900113.7L110 L111 D118 K120 V124 Q125 L126 I142L110-Q122 HydrophobicContact CB-CG 4.22Å; L110-Q122 PolarHBondContact O-NE2 2.83Å; L111-Q122 VanDerWaalsContact CA-NE2 3.34Å; D118-Q122 WeakPolarHBondContact O-CG 3.18Å; D118-Q122 PolarHBondContact O-N 3.35Å; D118-Q122 VanDerWaalsContact O-N 3.1Å; K120-Q122 VanDerWaalsContact C-N 3.33Å; K120-Q122 PolarHBondContact O-N 2.72Å; Q122-V124 VanDerWaalsContact C-N 3.26Å; Q122-V124 PolarHBondContact O-N 3.39Å; Q122-Q125 PolarHBondContact O-N 3.35Å; Q122-L126 VanDerWaalsContact O-CB 3.31Å; Q122-L126 WeakPolarHBondContact O-CB 3.44Å; Q122-L126 PolarHBondContact O-N 3.15Å; Q122-I142 HydrophobicContact CB-CD1 3.84Å
123A96.2Very high89.8Confident21 Ų2177.9 Ų77.917%0.17439%0.388CS..Hα-helixtrans-60.4-40.5177.600000111.1E119 K120 D121 K127 I140 I142E119-A123 WeakPolarHBondContact O-CB 3.41Å; E119-A123 PolarHBondContact O-N 3.45Å; K120-A123 PolarHBondContact O-N 3.5Å; D121-A123 PolarHBondContact O-N 3.46Å; A123-K127 VanDerWaalsContact O-CB 3.26Å; A123-K127 WeakPolarHBondContact O-CB 3.4Å; A123-K127 PolarHBondContact O-N 3.33Å; A123-I140 HydrophobicContact CB-CG2 4.29Å; A123-I142 HydrophobicContact CB-CD1 3.94Å; A123-I142 HydrophobicContact CB-CG1 4.26Å
124V96Very high90.2Very high65 Ų6576.2 Ų76.239%0.39437%0.37SS..Hα-helixtrans-66.7-49.2177172.80000111.3K120 D121 Q122 L126 K127 Q128K120-V124 WeakPolarHBondContact O-CG2 3.49Å; K120-V124 PolarHBondContact O-N 3.03Å; K120-V124 VanDerWaalsContact O-N 3.15Å; D121-V124 PolarHBondContact O-N 2.8Å; Q122-V124 VanDerWaalsContact C-N 3.26Å; Q122-V124 PolarHBondContact O-N 3.39Å; V124-L126 PolarHBondContact O-N 3.02Å; V124-K127 PolarHBondContact O-N 2.93Å; V124-Q128 HydrophobicContact CG1-CG 4.42Å; V124-Q128 WeakPolarHBondContact O-CG 3.38Å; V124-Q128 PolarHBondContact O-N 2.95Å
125Q96.1Very high91.2Very high74 Ų7474.6 Ų74.635%0.34636%0.363SS..Hα-helixtrans-62.3-44.6-179.4-72.1-170.664.500112L110 D121 Q122 K127 Q128 W129L110-Q125 HydrophobicContact CD1-CB 4.07Å; L110-Q125 HydrophobicContact CD2-CB 4Å; D121-Q125 WeakPolarHBondContact O-CG 3.1Å; D121-Q125 PolarHBondContact O-N 2.91Å; D121-Q125 PolarHBondContact OD2-NE2 2.74Å; Q122-Q125 PolarHBondContact O-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.22Å; Q125-Q128 PolarHBondContact O-N 3.48Å; Q125-W129 WeakPolarHBondContact O-CB 3.49Å; Q125-W129 PolarHBondContact O-N 2.95Å
126L97.3Very high92.1Very high1 Ų170.6 Ų70.61%0.00535%0.345CS..Hα-helixtrans-64.6-41.4178.4-174.858.1000111.3K106 A107 L110 Q122 V124 W129 L130 I140 Y168 V170K106-L126 HydrophobicContact CB-CD1 4.22Å; K106-L126 HydrophobicContact CG-CD1 3.96Å; A107-L126 HydrophobicContact CB-CD2 4.32Å; L110-L126 HydrophobicContact CD1-CB 3.83Å; L110-L126 HydrophobicContact CD1-CD1 4.35Å; Q122-L126 VanDerWaalsContact O-CB 3.31Å; Q122-L126 WeakPolarHBondContact O-CB 3.44Å; Q122-L126 PolarHBondContact O-N 3.15Å; V124-L126 PolarHBondContact O-N 3.02Å; L126-W129 HydrophobicContact CD1-CE3 4.16Å; L126-W129 PolarHBondContact O-N 3.34Å; L126-L130 HydrophobicContact CD1-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.12Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 3.1Å; L126-I140 HydrophobicContact CD2-CD1 4.34Å; L126-I140 HydrophobicContact CD2-CG2 4Å; L126-I140 HydrophobicContact CG-CD1 4.25Å; L126-Y168 HydrophobicContact CD2-CD1 4.11Å; L126-Y168 HydrophobicContact CD2-CE1 4.49Å; L126-V170 HydrophobicContact CD2-CG2 4.5Å
127K97.9Very high93Very high68 Ų6863.8 Ų63.830%0.29632%0.322SS..Hα-helixtrans-59.8-50.8175.1-175-168.5-176.8-20.30111.3A123 V124 Q125 W129 L130 D131 W138 I140A123-K127 VanDerWaalsContact O-CB 3.26Å; A123-K127 WeakPolarHBondContact O-CB 3.4Å; A123-K127 PolarHBondContact O-N 3.33Å; V124-K127 PolarHBondContact O-N 2.93Å; Q125-K127 PolarHBondContact O-N 3.22Å; K127-W129 VanDerWaalsContact C-N 3.3Å; K127-W129 PolarHBondContact O-N 2.83Å; K127-L130 PolarHBondContact O-N 2.9Å; K127-D131 IonicContact NZ-OD1 3.97Å; K127-D131 PolarHBondContact NZ-OD1 3.4Å; K127-D131 IonicContact NZ-OD2 3.93Å; K127-D131 PolarHBondContact NZ-OD2 3.06Å; K127-D131 WeakPolarHBondContact O-CB 3.41Å; K127-D131 PolarHBondContact O-N 3.41Å; K127-W138 WeakPolarHBondContact CE-O 3.43Å; K127-W138 WeakPolarHBondContact CG-O 3.27Å; K127-W138 PolarHBondContact NZ-O 3.37Å; K127-I140 HydrophobicContact CB-CG1 3.78Å; K127-I140 HydrophobicContact CG-CG1 4.44Å
128Q97.7Very high94.3Very high111 Ų11161.5 Ų61.552%0.51931%0.312SS..Hα-helixtrans-58.9-44.2-179.2-74.6174-6.700111.3V124 Q125 D131 I132V124-Q128 HydrophobicContact CG1-CG 4.42Å; V124-Q128 WeakPolarHBondContact O-CG 3.38Å; V124-Q128 PolarHBondContact O-N 2.95Å; Q125-Q128 PolarHBondContact O-N 3.48Å; Q128-D131 PolarHBondContact O-N 3.28Å; Q128-I132 WeakPolarHBondContact O-CD1 3.45Å; Q128-I132 VanDerWaalsContact O-CG1 3.27Å; Q128-I132 WeakPolarHBondContact O-CG1 3.32Å; Q128-I132 PolarHBondContact O-N 3.5Å
129W97.8Very high94.9Very high67 Ų6761.1 Ų61.125%0.25431%0.307SS..Hα-helixtrans-62.5-44.8177.7178.380.2000112.4A102 I103 K106 Q125 L126 K127 I132 T133 Y134A102-W129 HydrophobicContact CB-CH2 4.28Å; I103-W129 HydrophobicContact CG1-CZ3 4.06Å; K106-W129 HydrophobicContact CB-CD2 4.45Å; K106-W129 HydrophobicContact CB-CE3 4.18Å; K106-W129 HydrophobicContact CB-CH2 4.24Å; K106-W129 HydrophobicContact CB-CZ3 4.06Å; K106-W129 HydrophobicContact CD-CD2 4.24Å; K106-W129 HydrophobicContact CD-CG 4.36Å; K106-W129 HydrophobicContact CG-CD2 3.78Å; K106-W129 HydrophobicContact CG-CE3 3.83Å; K106-W129 HydrophobicContact CG-CG 4.19Å; K106-W129 HydrophobicContact CG-CZ3 4.24Å; Q125-W129 WeakPolarHBondContact O-CB 3.49Å; Q125-W129 PolarHBondContact O-N 2.95Å; L126-W129 HydrophobicContact CD1-CE3 4.16Å; L126-W129 PolarHBondContact O-N 3.34Å; K127-W129 VanDerWaalsContact C-N 3.3Å; K127-W129 PolarHBondContact O-N 2.83Å; W129-I132 PolarHBondContact O-N 2.99Å; W129-T133 HydrophobicContact CZ2-CG2 4.29Å; W129-T133 WeakPolarHBondContact O-CB 3.38Å; W129-T133 PolarHBondContact O-N 3.38Å; W129-T133 PolarHBondContact O-OG1 3.34Å; W129-Y134 HydrophobicContact CH2-CE2 4Å; W129-Y134 HydrophobicContact CZ3-CE2 4.09Å
130L97.4Very high95.4Very high0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-63.8-43.4176.5-78.6167000112.8I103 L126 K127 I132 T133 Y134 W138 I140 V170I103-L130 HydrophobicContact CD1-CD2 3.73Å; I103-L130 HydrophobicContact CG1-CD2 3.7Å; L126-L130 HydrophobicContact CD1-CD1 4.41Å; L126-L130 HydrophobicContact CG-CD1 4.12Å; L126-L130 WeakPolarHBondContact O-CB 3.42Å; L126-L130 WeakPolarHBondContact O-CG 3.39Å; L126-L130 PolarHBondContact O-N 3.1Å; K127-L130 PolarHBondContact O-N 2.9Å; L130-I132 VanDerWaalsContact C-N 3.3Å; L130-I132 PolarHBondContact O-N 2.96Å; L130-T133 PolarHBondContact O-N 3.37Å; L130-Y134 HydrophobicContact CD2-CD2 3.6Å; L130-Y134 HydrophobicContact CD2-CE2 3.9Å; L130-Y134 PolarHBondContact O-N 3.18Å; L130-W138 HydrophobicContact CB-CB 4.02Å; L130-W138 HydrophobicContact CB-CD2 4.01Å; L130-W138 HydrophobicContact CB-CG 3.63Å; L130-W138 HydrophobicContact CD1-CB 4.26Å; L130-W138 HydrophobicContact CD1-CD2 4.17Å; L130-W138 HydrophobicContact CD1-CE3 4.15Å; L130-W138 HydrophobicContact CD1-CG 4.23Å; L130-W138 HydrophobicContact CD2-CD2 4.29Å; L130-W138 HydrophobicContact CD2-CE3 4.48Å; L130-W138 HydrophobicContact CG-CD2 4.41Å; L130-W138 HydrophobicContact CG-CG 4.43Å; L130-W138 PolarHBondContact O-NE1 2.82Å; L130-I140 HydrophobicContact CD1-CD1 3.31Å; L130-I140 HydrophobicContact CD1-CG1 4.38Å; L130-V170 HydrophobicContact CD1-CG1 3.57Å
131D96.6Very high95.7Very high22 Ų2253.9 Ų53.912%0.11828%0.281CS..Hα-helixtrans-60.9-40178.2-81.1-12.7000111.6K127 Q128 G135 K136 W138K127-D131 IonicContact NZ-OD1 3.97Å; K127-D131 PolarHBondContact NZ-OD1 3.4Å; K127-D131 IonicContact NZ-OD2 3.93Å; K127-D131 PolarHBondContact NZ-OD2 3.06Å; K127-D131 WeakPolarHBondContact O-CB 3.41Å; K127-D131 PolarHBondContact O-N 3.41Å; Q128-D131 PolarHBondContact O-N 3.28Å; D131-G135 CarbonylContact O-C 3.58Å; D131-G135 VanDerWaalsContact O-CA 3.25Å; D131-G135 WeakPolarHBondContact O-CA 3.43Å; D131-G135 PolarHBondContact O-N 3.24Å; D131-K136 HydrophobicContact CB-CG 3.63Å; D131-W138 PolarHBondContact OD1-N 3.14Å
132I96.9Very high96Very high143 Ų14351.5 Ų51.573%0.73327%0.268SS*.Hα-helixtrans-71.9-41176.8-68.6165.6000111Q128 W129 L130Q128-I132 WeakPolarHBondContact O-CD1 3.45Å; Q128-I132 VanDerWaalsContact O-CG1 3.27Å; Q128-I132 WeakPolarHBondContact O-CG1 3.32Å; Q128-I132 PolarHBondContact O-N 3.5Å; W129-I132 PolarHBondContact O-N 2.99Å; L130-I132 VanDerWaalsContact C-N 3.3Å; L130-I132 PolarHBondContact O-N 2.96Å
133T95.9Very high96Very high64 Ų6452.7 Ų52.739%0.39328%0.275SS..Hα-helixtrans-84.7-35.5-169.7-54.80000112.9W129 L130W129-T133 HydrophobicContact CZ2-CG2 4.29Å; W129-T133 WeakPolarHBondContact O-CB 3.38Å; W129-T133 PolarHBondContact O-N 3.38Å; W129-T133 PolarHBondContact O-OG1 3.34Å; L130-T133 PolarHBondContact O-N 3.37Å
134Y93.1Very high95.9Very high49 Ų4956.8 Ų56.819%0.19229%0.289CS..Hα-helixtrans-128.110.1-172.2-55.7-56.5000114.2R99 I103 W129 L130 W138 R172R99-Y134 HydrophobicContact CG-CE1 4.15Å; I103-Y134 HydrophobicContact CD1-CE2 4.27Å; I103-Y134 HydrophobicContact CG1-CE2 4.09Å; W129-Y134 HydrophobicContact CH2-CE2 4Å; W129-Y134 HydrophobicContact CZ3-CE2 4.09Å; L130-Y134 HydrophobicContact CD2-CD2 3.6Å; L130-Y134 HydrophobicContact CD2-CE2 3.9Å; L130-Y134 PolarHBondContact O-N 3.18Å; Y134-W138 HydrophobicContact CD2-CZ2 4.35Å; Y134-W138 HydrophobicContact CG-CZ2 4.44Å; Y134-R172 PolarHBondContact O-NH1 3.47Å
135G91.6Very high95.7Very high29 Ų2955.6 Ų55.630%0.29929%0.289SS..  trans80.6147.8179.900000113.2D131 W138D131-G135 CarbonylContact O-C 3.58Å; D131-G135 VanDerWaalsContact O-CA 3.25Å; D131-G135 WeakPolarHBondContact O-CA 3.43Å; D131-G135 PolarHBondContact O-N 3.24Å; G135-W138 PolarHBondContact O-NE1 3.09Å
136K92.7Very high95.6Very high142 Ų14256.7 Ų56.762%0.61731%0.306SS*.SBendtrans-71156.6179.3-66.1177.7178.8-1780111.8D131 R172D131-K136 HydrophobicContact CB-CG 3.63Å; K136-R172 PolarHBondContact O-NE 3.26Å; K136-R172 PolarHBondContact O-NH2 2.88Å
137A93.8Very high95.6Very high34 Ų3459.2 Ų59.228%0.28132%0.317SS..  cis-114.3120.7-1.100000111.8R172 T173A137-R172 WeakPolarHBondContact O-CA 3.22Å; A137-R172 WeakPolarHBondContact O-CG 3.25Å; A137-T173 PolarHBondContact O-N 3.08Å; A137-T173 VanDerWaalsContact O-N 3.08Å; A137-T173 PolarHBondContact O-OG1 2.77Å
138W96.5Very high95.5Very high0 Ų067.1 Ų67.10%035%0.345CS..EExtended strand (participates in β ladder)trans-89.6146.9174.8-6985.2000112.6L95 K127 L130 D131 Y134 G135 K157 V170 W171 R172L95-W138 HydrophobicContact CD1-CH2 4.1Å; L95-W138 HydrophobicContact CD1-CZ3 4.32Å; L95-W138 HydrophobicContact CD2-CH2 4.23Å; K127-W138 WeakPolarHBondContact CE-O 3.43Å; K127-W138 WeakPolarHBondContact CG-O 3.27Å; K127-W138 PolarHBondContact NZ-O 3.37Å; L130-W138 HydrophobicContact CB-CB 4.02Å; L130-W138 HydrophobicContact CB-CD2 4.01Å; L130-W138 HydrophobicContact CB-CG 3.63Å; L130-W138 HydrophobicContact CD1-CB 4.26Å; L130-W138 HydrophobicContact CD1-CD2 4.17Å; L130-W138 HydrophobicContact CD1-CE3 4.15Å; L130-W138 HydrophobicContact CD1-CG 4.23Å; L130-W138 HydrophobicContact CD2-CD2 4.29Å; L130-W138 HydrophobicContact CD2-CE3 4.48Å; L130-W138 HydrophobicContact CG-CD2 4.41Å; L130-W138 HydrophobicContact CG-CG 4.43Å; L130-W138 PolarHBondContact O-NE1 2.82Å; D131-W138 PolarHBondContact OD1-N 3.14Å; Y134-W138 HydrophobicContact CD2-CZ2 4.35Å; Y134-W138 HydrophobicContact CG-CZ2 4.44Å; G135-W138 PolarHBondContact O-NE1 3.09Å; W138-K157 HydrophobicContact CH2-CB 4.31Å; W138-K157 HydrophobicContact CH2-CD 4.34Å; W138-K157 HydrophobicContact CZ2-CD 4.37Å; W138-V170 HydrophobicContact CE3-CG1 3.62Å; W138-V170 HydrophobicContact CZ3-CG1 3.76Å; W138-W171 CarbonylContact C-O 3.55Å; W138-W171 WeakPolarHBondContact CA-O 3.47Å; W138-R172 HydrophobicContact CD2-CB 3.91Å; W138-R172 HydrophobicContact CD2-CG 4.28Å; W138-R172 HydrophobicContact CE3-CB 3.99Å; W138-R172 HydrophobicContact CG-CB 4.46Å; W138-R172 HydrophobicContact CG-CG 4.42Å; W138-R172 HydrophobicContact CH2-CB 4.3Å; W138-R172 HydrophobicContact CZ2-CB 4.21Å; W138-R172 HydrophobicContact CZ3-CB 4.18Å
139H96.8Very high95.3Very high74 Ų7464.8 Ų64.834%0.34334%0.34SS..EExtended strand (participates in β ladder)trans-115.2137.1171.7-64.9-89.3000109.4V170 W171 T173H139-V170 WeakPolarHBondContact O-CA 3.29Å; H139-W171 HydrophobicContact CB-CD2 3.78Å; H139-W171 VanDerWaalsContact CB-CE2 3.42Å; H139-W171 HydrophobicContact CB-CE3 4.2Å; H139-W171 HydrophobicContact CB-CG 4.32Å; H139-W171 HydrophobicContact CB-CH2 4.03Å; H139-W171 HydrophobicContact CB-CZ2 3.57Å; H139-W171 HydrophobicContact CB-CZ3 4.31Å; H139-W171 AromaticContact CD2-NE1 3.69Å; H139-W171 AromaticContact CG-CE2 3.88Å; H139-W171 AromaticContact CG-NE1 3.77Å; H139-W171 PolarHBondContact N-O 3.01Å; H139-W171 PolarHBondContact O-N 3.05Å; H139-W171 VanDerWaalsContact O-N 3.1Å; H139-T173 WeakPolarHBondContact NE2-CG2 3.47Å
140I97.4Very high95Very high24 Ų2467.7 Ų67.712%0.12337%0.371CS..EExtended strand (participates in β ladder)trans-130.6121.4-178.6-48.4-60.4000108.2A123 L126 K127 L130 I142 L169 V170A123-I140 HydrophobicContact CB-CG2 4.29Å; L126-I140 HydrophobicContact CD2-CD1 4.34Å; L126-I140 HydrophobicContact CD2-CG2 4Å; L126-I140 HydrophobicContact CG-CD1 4.25Å; K127-I140 HydrophobicContact CB-CG1 3.78Å; K127-I140 HydrophobicContact CG-CG1 4.44Å; L130-I140 HydrophobicContact CD1-CD1 3.31Å; L130-I140 HydrophobicContact CD1-CG1 4.38Å; I140-I142 HydrophobicContact CG2-CG1 4.09Å; I140-L169 WeakPolarHBondContact CA-O 3.34Å; I140-V170 HydrophobicContact CD1-CB 4.1Å; I140-V170 HydrophobicContact CD1-CG1 3.63Å; I140-V170 HydrophobicContact CD1-CG2 3.81Å
141V97Very high94.6Very high60 Ų6070.8 Ų70.836%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-119.3124.8169.3-176.10000108.1V143 Y168 L169 W171V141-V143 HydrophobicContact CG1-CG2 3.81Å; V141-Y168 WeakPolarHBondContact O-CA 3.32Å; V141-L169 HydrophobicContact CB-CB 4.2Å; V141-L169 PolarHBondContact N-O 3.42Å; V141-L169 PolarHBondContact O-N 3.46Å; V141-W171 HydrophobicContact CB-CZ3 4.42Å; V141-W171 HydrophobicContact CG2-CH2 3.58Å; V141-W171 HydrophobicContact CG2-CZ3 3.76Å
142I96.3Very high94.2Very high28 Ų2874.5 Ų74.514%0.14441%0.411CS..EExtended strand (participates in β ladder)trans-108.7124.6177.7-58.6-176.9000107.7E119 Q122 A123 I140 V166 S167 Y168E119-I142 HydrophobicContact CG-CG2 4.43Å; Q122-I142 HydrophobicContact CB-CD1 3.84Å; A123-I142 HydrophobicContact CB-CD1 3.94Å; A123-I142 HydrophobicContact CB-CG1 4.26Å; I140-I142 HydrophobicContact CG2-CG1 4.09Å; I142-V166 HydrophobicContact CG2-CG1 3.33Å; I142-S167 CarbonylContact C-O 3.58Å; I142-S167 WeakPolarHBondContact CA-O 3.49Å; I142-Y168 HydrophobicContact CD1-CD1 4.12Å; I142-Y168 HydrophobicContact CD1-CE1 3.7Å; I142-Y168 HydrophobicContact CG1-CD1 3.86Å; I142-Y168 HydrophobicContact CG1-CE1 3.9Å; I142-Y168 HydrophobicContact CG2-CE1 4.4Å
143V95.5Very high93.8Very high30 Ų3069.6 Ų69.618%0.18239%0.385CS..EExtended strand (participates in β ladder)trans-128.6127.9-175.1-173.70000110.8V141 F147 S167 L169V141-V143 HydrophobicContact CG1-CG2 3.81Å; V143-F147 HydrophobicContact CG1-CB 4.31Å; V143-F147 HydrophobicContact CG2-CB 4.32Å; V143-S167 PolarHBondContact N-O 2.79Å; V143-S167 PolarHBondContact O-N 2.99Å; V143-L169 HydrophobicContact CG2-CD1 4.39Å
144K92.9Very high93.2Very high108 Ų10867.9 Ų67.947%0.4738%0.375SS..EExtended strand (participates in β ladder)trans-95.7105.6162.1-77176.1172.2162.10109.1F117 E119 V166F117-K144 VanDerWaalsContact CE1-CE 3.5Å; E119-K144 WeakPolarHBondContact OE1-CE 3.45Å; E119-K144 IonicContact OE1-NZ 2.71Å; E119-K144 PolarHBondContact OE1-NZ 2.75Å; K144-V166 HydrophobicContact CG-CG2 4.09Å
145G91.8Very high92.7Very high39 Ų3969.2 Ų69.240%0.40240%0.397SS..SBendtrans119.4-154.4-177.700000113.9
146S94.5Very high92.5Very high98 Ų9872.8 Ų72.869%0.68541%0.409SS*.  trans-89.2149.9-179.4-59.30000111.3
147F96.6Very high92.5Very high54 Ų5467.9 Ų67.924%0.23739%0.387CS..  trans-140.6155.6177.264.1-88.7000110.9I91 V143 I160 L169I91-F147 HydrophobicContact CD1-CE1 4.07Å; I91-F147 HydrophobicContact CD1-CZ 4.05Å; I91-F147 HydrophobicContact CG2-CZ 4.47Å; V143-F147 HydrophobicContact CG1-CB 4.31Å; V143-F147 HydrophobicContact CG2-CB 4.32Å; F147-I160 HydrophobicContact CE2-CG2 4.39Å; F147-I160 HydrophobicContact CZ-CG2 3.79Å; F147-L169 HydrophobicContact CD1-CD1 4.14Å; F147-L169 HydrophobicContact CD2-CD1 4.02Å; F147-L169 HydrophobicContact CD2-CD2 3.81Å; F147-L169 HydrophobicContact CD2-CG 4.34Å; F147-L169 HydrophobicContact CE1-CD1 3.96Å; F147-L169 HydrophobicContact CE2-CD1 3.82Å; F147-L169 HydrophobicContact CE2-CD2 3.82Å; F147-L169 HydrophobicContact CE2-CG 3.99Å; F147-L169 HydrophobicContact CG-CD1 4.18Å; F147-L169 HydrophobicContact CZ-CD1 3.8Å; F147-L169 HydrophobicContact CZ-CG 4.3Å
148W96.5Very high92.6Very high234 Ų23466.2 Ų66.289%0.88637%0.374SS*.  trans-133.2136.7167.4-64.7-97.6000107
149S93.1Very high92.7Very high61 Ų6166.2 Ų66.243%0.42737%0.374SS..  trans-146.5145.1-172.957.60000111.2Y151S149-Y151 WeakPolarHBondContact OG-CE1 3.3Å
150S92.1Very high92.7Very high128 Ų12863 Ų6390%0.89536%0.359SS*.  trans-129.8124.5168.41800000107.9
151Y89.3Confident92.8Very high65 Ų6561.9 Ų61.926%0.25535%0.354SS..  trans-155.5161.3-173.556.3-84.7000110.8S149 H153 I160 W171S149-Y151 WeakPolarHBondContact OG-CE1 3.3Å; Y151-H153 AromaticContact CD2-CD2 3.58Å; Y151-H153 AromaticContact CE2-CD2 3.31Å; Y151-H153 WeakPolarHBondContact CE2-CD2 3.32Å; Y151-H153 AromaticContact CE2-NE2 3.99Å; Y151-I160 HydrophobicContact CE1-CD1 4.36Å; Y151-I160 WeakPolarHBondContact OH-CD1 3.36Å; Y151-W171 HydrophobicContact CD2-CD2 4.23Å; Y151-W171 HydrophobicContact CD2-CG 4.15Å; Y151-W171 HydrophobicContact CE2-CG 4.49Å
152S88.6Confident92.8Very high100 Ų10063.4 Ų63.470%0.69935%0.353SS*.  trans-115.6146.1170-61.70000109.1
153H87.5Confident92.8Very high41 Ų4162.1 Ų62.119%0.1935%0.346CS..  trans-148.3161.1-179.658.475.5000110.7Q94 Y151 W171 R172Q94-H153 PolarHBondContact OE1-CE1 3.29Å; Y151-H153 AromaticContact CD2-CD2 3.58Å; Y151-H153 AromaticContact CE2-CD2 3.31Å; Y151-H153 WeakPolarHBondContact CE2-CD2 3.32Å; Y151-H153 AromaticContact CE2-NE2 3.99Å; H153-W171 HydrophobicContact CB-CB 3.87Å; H153-W171 HydrophobicContact CB-CG 4.17Å; H153-R172 CarbonylContact C-O 3.57Å; H153-R172 WeakPolarHBondContact CA-O 3.47Å; H153-R172 VanDerWaalsContact CB-O 3.32Å; H153-R172 WeakPolarHBondContact CB-O 3.31Å
154S83.5Confident92.5Very high27 Ų2768.4 Ų68.419%0.18937%0.367CS..  trans-55.4141.8168.8-75.80000110.7N156 K157 R172 T173 P174S154-N156 PolarHBondContact O-N 2.9Å; S154-K157 PolarHBondContact O-N 3.18Å; S154-R172 PolarHBondContact N-O 3.22Å; S154-T173 VanDerWaalsContact OG-C 3.27Å; S154-T173 PolarHBondContact OG-O 3.44Å; S154-P174 WeakPolarHBondContact OG-CA 3.49Å
155A83.3Confident92.4Very high78 Ų7867.8 Ų67.865%0.64537%0.369SS*.THydrogen-bonded Turntrans-56.2136.817500000110.7K157A155-K157 VanDerWaalsContact C-N 3.26Å; A155-K157 WeakPolarHBondContact O-CG 3.39Å; A155-K157 PolarHBondContact O-N 3.26Å
156N86.8Confident92.5Very high103 Ų10366 Ų6655%0.55135%0.35SS*.THydrogen-bonded Turntrans62.527178.6-50.3-45000114.7Q94 L95 S154Q94-N156 CarbonylContact O-C 3.59Å; Q94-N156 VanDerWaalsContact O-CA 3.26Å; Q94-N156 WeakPolarHBondContact O-CA 3.23Å; L95-N156 WeakPolarHBondContact CD2-O 3.36Å; S154-N156 PolarHBondContact O-N 2.9Å
157K92.7Very high92.6Very high39 Ų3961.4 Ų61.417%0.1732%0.317CS..  trans-132.632.8-177.4-56.7-70.2178.3168.30113.1L95 W138 S154 A155 W171 R172L95-K157 HydrophobicContact CD2-CD 4.45Å; W138-K157 HydrophobicContact CH2-CB 4.31Å; W138-K157 HydrophobicContact CH2-CD 4.34Å; W138-K157 HydrophobicContact CZ2-CD 4.37Å; S154-K157 PolarHBondContact O-N 3.18Å; A155-K157 VanDerWaalsContact C-N 3.26Å; A155-K157 WeakPolarHBondContact O-CG 3.39Å; A155-K157 PolarHBondContact O-N 3.26Å; K157-W171 CarbonylContact O-C 3.58Å; K157-W171 VanDerWaalsContact O-CA 3.27Å; K157-W171 WeakPolarHBondContact O-CA 3.46Å; K157-R172 HydrophobicContact CB-CB 3.68Å; K157-R172 HydrophobicContact CG-CB 4.28Å; K157-R172 PolarHBondContact O-N 2.9Å
158C96Very high92.7Very high0 Ų058.9 Ų58.90%031%0.306CS..EExtended strand (participates in β ladder)trans-125.5139.7174.9-173.50000110.8Y92 Q94 L95 V170 W171Y92-C158 HydrophobicContact CD1-CB 4.46Å; Y92-C158 HydrophobicContact CE1-CB 4.06Å; Q94-C158 PolarHBondContact N-O 3.22Å; L95-C158 PolarHBondContact N-O 3.45Å; C158-V170 CarbonylContact C-O 3.13Å; C158-V170 WeakPolarHBondContact CA-O 3.45Å; C158-W171 HydrophobicContact CB-CB 4.24Å
159F97.9Very high92.8Very high0 Ų048 Ų480%027%0.265CS..EExtended strand (participates in β ladder)trans-150.1121.6173.4-178-142.4000109.6L84 V90 E93 L95 Q100 I103 F161 V170L84-F159 HydrophobicContact CD2-CZ 4.45Å; V90-F159 HydrophobicContact CG1-CE2 4.11Å; V90-F159 HydrophobicContact CG2-CE2 4.03Å; V90-F159 HydrophobicContact CG2-CZ 4.46Å; E93-F159 HydrophobicContact CB-CD2 4Å; E93-F159 HydrophobicContact CB-CE2 4.43Å; L95-F159 HydrophobicContact CD1-CB 3.55Å; L95-F159 HydrophobicContact CD1-CG 4.45Å; L95-F159 HydrophobicContact CG-CB 4.42Å; Q100-F159 HydrophobicContact CB-CD1 4.38Å; Q100-F159 HydrophobicContact CB-CE1 3.86Å; Q100-F159 HydrophobicContact CB-CE2 4.09Å; Q100-F159 HydrophobicContact CB-CZ 3.71Å; Q100-F159 HydrophobicContact CG-CD1 4.49Å; Q100-F159 HydrophobicContact CG-CD2 4.12Å; Q100-F159 HydrophobicContact CG-CE1 4.37Å; Q100-F159 HydrophobicContact CG-CE2 3.97Å; Q100-F159 HydrophobicContact CG-CG 4.39Å; Q100-F159 HydrophobicContact CG-CZ 4.11Å; Q100-F159 WeakPolarHBondContact O-CE1 3.45Å; I103-F159 HydrophobicContact CB-CD1 4.37Å; I103-F159 HydrophobicContact CG2-CD1 4.16Å; F159-F161 AromaticContact CD1-CD1 3.39Å; F159-F161 HydrophobicContact CD1-CD1 3.39Å; F159-F161 AromaticContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CG 4.34Å; F159-F161 HydrophobicContact CD2-CD1 4.3Å; F159-F161 HydrophobicContact CE1-CB 4.22Å; F159-F161 AromaticContact CE1-CD1 3.22Å; F159-F161 HydrophobicContact CE1-CD1 3.22Å; F159-F161 AromaticContact CE1-CE1 3.61Å; F159-F161 HydrophobicContact CE1-CE1 3.61Å; F159-F161 AromaticContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CZ 4.41Å; F159-F161 HydrophobicContact CE2-CB 3.94Å; F159-F161 HydrophobicContact CE2-CD1 4.17Å; F159-F161 HydrophobicContact CE2-CG 4.36Å; F159-F161 AromaticContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CE1 4.5Å; F159-F161 HydrophobicContact CZ-CB 3.72Å; F159-F161 AromaticContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CE1 4.44Å; F159-F161 AromaticContact CZ-CG 3.76Å; F159-F161 HydrophobicContact CZ-CG 3.76Å; F159-V170 PolarHBondContact N-O 3.18Å; F159-V170 WeakPolarHBondContact O-CA 3.39Å; F159-V170 WeakPolarHBondContact O-CB 3.36Å; F159-V170 PolarHBondContact O-N 3.31Å
160I98Very high93Very high7 Ų745 Ų454%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-118.7123174.5-52.2-178.9000107.9I91 Y92 F147 Y151 Y168 L169I91-I160 WeakPolarHBondContact CA-O 3.32Å; I91-I160 HydrophobicContact CB-CB 4.19Å; I91-I160 HydrophobicContact CB-CG2 3.83Å; I91-I160 HydrophobicContact CD1-CG2 4.03Å; I91-I160 HydrophobicContact CG1-CG2 4.43Å; I91-I160 HydrophobicContact CG2-CG2 4.11Å; I91-I160 PolarHBondContact N-O 2.98Å; Y92-I160 HydrophobicContact CD1-CD1 4.45Å; Y92-I160 HydrophobicContact CD1-CG1 4.47Å; Y92-I160 PolarHBondContact N-O 3.09Å; Y92-I160 PolarHBondContact O-N 3.45Å; Y92-I160 VanDerWaalsContact O-O 3.12Å; F147-I160 HydrophobicContact CE2-CG2 4.39Å; F147-I160 HydrophobicContact CZ-CG2 3.79Å; Y151-I160 HydrophobicContact CE1-CD1 4.36Å; Y151-I160 WeakPolarHBondContact OH-CD1 3.36Å; I160-Y168 VanDerWaalsContact CA-O 3.28Å; I160-Y168 WeakPolarHBondContact CA-O 3.42Å; I160-L169 HydrophobicContact CD1-CD2 4.46Å; I160-L169 HydrophobicContact CD1-CG 4.04Å; I160-L169 HydrophobicContact CG1-CB 4.36Å; I160-L169 HydrophobicContact CG1-CG 4.17Å; I160-L169 HydrophobicContact CG2-CD1 4.13Å; I160-L169 HydrophobicContact CG2-CG 3.94Å
161F98.3Very high93.2Very high0 Ų040.7 Ų40.70%021%0.209CC..EExtended strand (participates in β ladder)trans-145.5163.1-178.964.5-79.2000110.6V88 V89 I103 A107 F159 V163 S167 Y168 V170V88-F161 HydrophobicContact CG1-CB 4.07Å; V88-F161 HydrophobicContact CG1-CD2 4.05Å; V88-F161 HydrophobicContact CG1-CG 4.37Å; V89-F161 CarbonylContact O-C 3.5Å; V89-F161 VanDerWaalsContact O-CA 3.28Å; V89-F161 WeakPolarHBondContact O-CA 3.09Å; I103-F161 HydrophobicContact CG2-CE1 4.12Å; I103-F161 HydrophobicContact CG2-CZ 4.41Å; A107-F161 HydrophobicContact CB-CE2 3.94Å; A107-F161 HydrophobicContact CB-CZ 3.72Å; F159-F161 AromaticContact CD1-CD1 3.39Å; F159-F161 HydrophobicContact CD1-CD1 3.39Å; F159-F161 AromaticContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CE1 3.64Å; F159-F161 HydrophobicContact CD1-CG 4.34Å; F159-F161 HydrophobicContact CD2-CD1 4.3Å; F159-F161 HydrophobicContact CE1-CB 4.22Å; F159-F161 AromaticContact CE1-CD1 3.22Å; F159-F161 HydrophobicContact CE1-CD1 3.22Å; F159-F161 AromaticContact CE1-CE1 3.61Å; F159-F161 HydrophobicContact CE1-CE1 3.61Å; F159-F161 AromaticContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CG 3.76Å; F159-F161 HydrophobicContact CE1-CZ 4.41Å; F159-F161 HydrophobicContact CE2-CB 3.94Å; F159-F161 HydrophobicContact CE2-CD1 4.17Å; F159-F161 HydrophobicContact CE2-CG 4.36Å; F159-F161 AromaticContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CD1 3.94Å; F159-F161 HydrophobicContact CG-CE1 4.5Å; F159-F161 HydrophobicContact CZ-CB 3.72Å; F159-F161 AromaticContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CD1 3.64Å; F159-F161 HydrophobicContact CZ-CE1 4.44Å; F159-F161 AromaticContact CZ-CG 3.76Å; F159-F161 HydrophobicContact CZ-CG 3.76Å; F161-V163 HydrophobicContact CD2-CG2 3.89Å; F161-V163 HydrophobicContact CE2-CG2 3.8Å; F161-S167 WeakPolarHBondContact O-CA 3.43Å; F161-Y168 HydrophobicContact CD2-CD2 4.18Å; F161-Y168 HydrophobicContact CE1-CG 4.24Å; F161-Y168 AromaticContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CE2 4.33Å; F161-Y168 AromaticContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CZ-CD1 4.38Å; F161-Y168 AromaticContact CZ-CD2 3.93Å; F161-Y168 HydrophobicContact CZ-CD2 3.93Å; F161-Y168 AromaticContact CZ-CG 3.71Å; F161-Y168 HydrophobicContact CZ-CG 3.71Å; F161-Y168 PolarHBondContact N-O 3.19Å; F161-Y168 VanDerWaalsContact N-O 3.09Å; F161-Y168 PolarHBondContact O-N 3.3Å; F161-V170 HydrophobicContact CE1-CG2 4.13Å
162R97.8Very high93.5Very high91 Ų9139.1 Ų39.134%0.34320%0.203SC..EExtended strand (participates in β ladder)trans-117.4136.8175.5-179.590.569.5782.4108.6V88 V89 I91 R164 V166 S167V88-R162 WeakPolarHBondContact CA-O 3.43Å; V89-R162 HydrophobicContact CB-CB 4.26Å; V89-R162 PolarHBondContact N-O 3.48Å; V89-R162 PolarHBondContact O-N 2.85Å; I91-R162 HydrophobicContact CD1-CB 4.27Å; R162-R164 WeakPolarHBondContact CD-O 3.47Å; R162-R164 WeakPolarHBondContact CG-O 3.5Å; R162-V166 WeakPolarHBondContact CA-O 3.42Å; R162-V166 VanDerWaalsContact CD-C 3.47Å; R162-V166 WeakPolarHBondContact CD-O 3.3Å; R162-S167 VanDerWaalsContact CD-OG 3.26Å; R162-S167 WeakPolarHBondContact CD-OG 3.46Å; R162-S167 PolarHBondContact NE-OG 3.03Å
163V95.5Very high93.6Very high2 Ų236.3 Ų36.31%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-118.4113.2162.9-178.90000106.7D87 V88 I108 L111 F161 D165 V166 Y168D87-V163 HydrophobicContact CB-CG1 4.32Å; V88-V163 HydrophobicContact CG2-CG2 4.19Å; I108-V163 HydrophobicContact CD1-CG2 4.46Å; I108-V163 HydrophobicContact CG1-CG1 3.92Å; I108-V163 HydrophobicContact CG1-CG2 3.99Å; L111-V163 HydrophobicContact CD2-CB 4.39Å; L111-V163 HydrophobicContact CD2-CG1 3.74Å; F161-V163 HydrophobicContact CD2-CG2 3.89Å; F161-V163 HydrophobicContact CE2-CG2 3.8Å; V163-D165 PolarHBondContact O-N 2.92Å; V163-V166 PolarHBondContact N-O 3.18Å; V163-V166 PolarHBondContact O-N 3.4Å; V163-Y168 HydrophobicContact CB-CE2 4.27Å; V163-Y168 HydrophobicContact CG2-CE2 4.29Å
164R89.1Confident93.2Very high162 Ų16238 Ų3861%0.61120%0.196SC*.THydrogen-bonded Turntrans56.5-115.4-174-55.9175.2-177.7173.2-0.3112.1D87 R162D87-R164 IonicContact OD2-NE 3.95Å; D87-R164 IonicContact OD2-NH2 3.38Å; R162-R164 WeakPolarHBondContact CD-O 3.47Å; R162-R164 WeakPolarHBondContact CG-O 3.5Å
165D90.9Very high92.7Very high95 Ų9541.6 Ų41.651%0.50821%0.213SC..THydrogen-bonded Turntrans-96.60179.864.8-43.8000113.6V163V163-D165 PolarHBondContact O-N 2.92Å
166V94.8Very high91.5Very high2 Ų246 Ų461%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-107.1120.8-176-173.70000110.8F117 I142 K144 R162 V163 Y168F117-V166 HydrophobicContact CE1-CG2 4.46Å; F117-V166 HydrophobicContact CZ-CG1 4.28Å; F117-V166 HydrophobicContact CZ-CG2 4.1Å; I142-V166 HydrophobicContact CG2-CG1 3.33Å; K144-V166 HydrophobicContact CG-CG2 4.09Å; R162-V166 WeakPolarHBondContact CA-O 3.42Å; R162-V166 VanDerWaalsContact CD-C 3.47Å; R162-V166 WeakPolarHBondContact CD-O 3.3Å; V163-V166 PolarHBondContact N-O 3.18Å; V163-V166 PolarHBondContact O-N 3.4Å; V166-Y168 HydrophobicContact CB-CE2 4.08Å; V166-Y168 HydrophobicContact CG1-CD2 4.32Å; V166-Y168 HydrophobicContact CG1-CE2 3.65Å
167S97.1Very high90Very high0 Ų049.3 Ų49.30%023%0.232CC..EExtended strand (participates in β ladder)trans-94.8138.2173.8-50.70000110.3I142 V143 F161 R162I142-S167 CarbonylContact C-O 3.58Å; I142-S167 WeakPolarHBondContact CA-O 3.49Å; V143-S167 PolarHBondContact N-O 2.79Å; V143-S167 PolarHBondContact O-N 2.99Å; F161-S167 WeakPolarHBondContact O-CA 3.43Å; R162-S167 VanDerWaalsContact CD-OG 3.26Å; R162-S167 WeakPolarHBondContact CD-OG 3.46Å; R162-S167 PolarHBondContact NE-OG 3.03Å
168Y97.9Very high87.9Confident1 Ų154 Ų540%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-116.6118.3175.9-64.5-96.8000108.2A107 L126 V141 I142 I160 F161 V163 V166A107-Y168 HydrophobicContact CB-CD1 4.17Å; A107-Y168 HydrophobicContact CB-CE1 3.88Å; A107-Y168 HydrophobicContact CB-CE2 4.33Å; L126-Y168 HydrophobicContact CD2-CD1 4.11Å; L126-Y168 HydrophobicContact CD2-CE1 4.49Å; V141-Y168 WeakPolarHBondContact O-CA 3.32Å; I142-Y168 HydrophobicContact CD1-CD1 4.12Å; I142-Y168 HydrophobicContact CD1-CE1 3.7Å; I142-Y168 HydrophobicContact CG1-CD1 3.86Å; I142-Y168 HydrophobicContact CG1-CE1 3.9Å; I142-Y168 HydrophobicContact CG2-CE1 4.4Å; I160-Y168 VanDerWaalsContact CA-O 3.28Å; I160-Y168 WeakPolarHBondContact CA-O 3.42Å; F161-Y168 HydrophobicContact CD2-CD2 4.18Å; F161-Y168 HydrophobicContact CE1-CG 4.24Å; F161-Y168 AromaticContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CD2 3.63Å; F161-Y168 HydrophobicContact CE2-CE2 4.33Å; F161-Y168 AromaticContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CE2-CG 3.93Å; F161-Y168 HydrophobicContact CZ-CD1 4.38Å; F161-Y168 AromaticContact CZ-CD2 3.93Å; F161-Y168 HydrophobicContact CZ-CD2 3.93Å; F161-Y168 AromaticContact CZ-CG 3.71Å; F161-Y168 HydrophobicContact CZ-CG 3.71Å; F161-Y168 PolarHBondContact N-O 3.19Å; F161-Y168 VanDerWaalsContact N-O 3.09Å; F161-Y168 PolarHBondContact O-N 3.3Å; V163-Y168 HydrophobicContact CB-CE2 4.27Å; V163-Y168 HydrophobicContact CG2-CE2 4.29Å; V166-Y168 HydrophobicContact CB-CE2 4.08Å; V166-Y168 HydrophobicContact CG1-CD2 4.32Å; V166-Y168 HydrophobicContact CG1-CE2 3.65Å
169L98Very high85.4Confident5 Ų559.2 Ų59.23%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-102113.3168.2-67.565000107.1I140 V141 V143 F147 I160 W171I140-L169 WeakPolarHBondContact CA-O 3.34Å; V141-L169 HydrophobicContact CB-CB 4.2Å; V141-L169 PolarHBondContact N-O 3.42Å; V141-L169 PolarHBondContact O-N 3.46Å; V143-L169 HydrophobicContact CG2-CD1 4.39Å; F147-L169 HydrophobicContact CD1-CD1 4.14Å; F147-L169 HydrophobicContact CD2-CD1 4.02Å; F147-L169 HydrophobicContact CD2-CD2 3.81Å; F147-L169 HydrophobicContact CD2-CG 4.34Å; F147-L169 HydrophobicContact CE1-CD1 3.96Å; F147-L169 HydrophobicContact CE2-CD1 3.82Å; F147-L169 HydrophobicContact CE2-CD2 3.82Å; F147-L169 HydrophobicContact CE2-CG 3.99Å; F147-L169 HydrophobicContact CG-CD1 4.18Å; F147-L169 HydrophobicContact CZ-CD1 3.8Å; F147-L169 HydrophobicContact CZ-CG 4.3Å; I160-L169 HydrophobicContact CD1-CD2 4.46Å; I160-L169 HydrophobicContact CD1-CG 4.04Å; I160-L169 HydrophobicContact CG1-CB 4.36Å; I160-L169 HydrophobicContact CG1-CG 4.17Å; I160-L169 HydrophobicContact CG2-CD1 4.13Å; I160-L169 HydrophobicContact CG2-CG 3.94Å; L169-W171 HydrophobicContact CB-CE3 4.12Å; L169-W171 HydrophobicContact CB-CZ3 3.74Å
170V97.9Very high82.6Confident0 Ų064.4 Ų64.40%033%0.326CS..EExtended strand (participates in β ladder)trans-121.7117.8-175.6-179.40000108.6L126 L130 W138 H139 I140 C158 F159 F161L126-V170 HydrophobicContact CD2-CG2 4.5Å; L130-V170 HydrophobicContact CD1-CG1 3.57Å; W138-V170 HydrophobicContact CE3-CG1 3.62Å; W138-V170 HydrophobicContact CZ3-CG1 3.76Å; H139-V170 WeakPolarHBondContact O-CA 3.29Å; I140-V170 HydrophobicContact CD1-CB 4.1Å; I140-V170 HydrophobicContact CD1-CG1 3.63Å; I140-V170 HydrophobicContact CD1-CG2 3.81Å; C158-V170 CarbonylContact C-O 3.13Å; C158-V170 WeakPolarHBondContact CA-O 3.45Å; F159-V170 PolarHBondContact N-O 3.18Å; F159-V170 WeakPolarHBondContact O-CA 3.39Å; F159-V170 WeakPolarHBondContact O-CB 3.36Å; F159-V170 PolarHBondContact O-N 3.31Å; F161-V170 HydrophobicContact CE1-CG2 4.13Å
171W96.7Very high80.1Confident37 Ų3772.2 Ų72.214%0.1439%0.392CS..EExtended strand (participates in β ladder)trans-146.2151.7175.271.695.2000112.6W138 H139 V141 Y151 H153 K157 C158 L169W138-W171 CarbonylContact C-O 3.55Å; W138-W171 WeakPolarHBondContact CA-O 3.47Å; H139-W171 HydrophobicContact CB-CD2 3.78Å; H139-W171 VanDerWaalsContact CB-CE2 3.42Å; H139-W171 HydrophobicContact CB-CE3 4.2Å; H139-W171 HydrophobicContact CB-CG 4.32Å; H139-W171 HydrophobicContact CB-CH2 4.03Å; H139-W171 HydrophobicContact CB-CZ2 3.57Å; H139-W171 HydrophobicContact CB-CZ3 4.31Å; H139-W171 AromaticContact CD2-NE1 3.69Å; H139-W171 AromaticContact CG-CE2 3.88Å; H139-W171 AromaticContact CG-NE1 3.77Å; H139-W171 PolarHBondContact N-O 3.01Å; H139-W171 PolarHBondContact O-N 3.05Å; H139-W171 VanDerWaalsContact O-N 3.1Å; V141-W171 HydrophobicContact CB-CZ3 4.42Å; V141-W171 HydrophobicContact CG2-CH2 3.58Å; V141-W171 HydrophobicContact CG2-CZ3 3.76Å; Y151-W171 HydrophobicContact CD2-CD2 4.23Å; Y151-W171 HydrophobicContact CD2-CG 4.15Å; Y151-W171 HydrophobicContact CE2-CG 4.49Å; H153-W171 HydrophobicContact CB-CB 3.87Å; H153-W171 HydrophobicContact CB-CG 4.17Å; K157-W171 CarbonylContact O-C 3.58Å; K157-W171 VanDerWaalsContact O-CA 3.27Å; K157-W171 WeakPolarHBondContact O-CA 3.46Å; C158-W171 HydrophobicContact CB-CB 4.24Å; L169-W171 HydrophobicContact CB-CE3 4.12Å; L169-W171 HydrophobicContact CB-CZ3 3.74Å
172R95Very high79.2Confident32 Ų3275.9 Ų75.912%0.12141%0.412CS..EExtended strand (participates in β ladder)trans-101.1135.1173.2-163.8-177.7158.8-174.4-14.9110.2Y134 K136 A137 W138 H153 S154 K157 D175Y134-R172 PolarHBondContact O-NH1 3.47Å; K136-R172 PolarHBondContact O-NE 3.26Å; K136-R172 PolarHBondContact O-NH2 2.88Å; A137-R172 WeakPolarHBondContact O-CA 3.22Å; A137-R172 WeakPolarHBondContact O-CG 3.25Å; W138-R172 HydrophobicContact CD2-CB 3.91Å; W138-R172 HydrophobicContact CD2-CG 4.28Å; W138-R172 HydrophobicContact CE3-CB 3.99Å; W138-R172 HydrophobicContact CG-CB 4.46Å; W138-R172 HydrophobicContact CG-CG 4.42Å; W138-R172 HydrophobicContact CH2-CB 4.3Å; W138-R172 HydrophobicContact CZ2-CB 4.21Å; W138-R172 HydrophobicContact CZ3-CB 4.18Å; H153-R172 CarbonylContact C-O 3.57Å; H153-R172 WeakPolarHBondContact CA-O 3.47Å; H153-R172 VanDerWaalsContact CB-O 3.32Å; H153-R172 WeakPolarHBondContact CB-O 3.31Å; S154-R172 PolarHBondContact N-O 3.22Å; K157-R172 HydrophobicContact CB-CB 3.68Å; K157-R172 HydrophobicContact CG-CB 4.28Å; K157-R172 PolarHBondContact O-N 2.9Å; R172-D175 IonicContact CZ-OD1 3.74Å; R172-D175 IonicContact CZ-OD2 3.85Å; R172-D175 IonicContact NE-OD1 2.91Å; R172-D175 IonicContact NH2-OD1 3.82Å; R172-D175 PolarHBondContact NH2-OD1 3.46Å; R172-D175 IonicContact NH2-OD2 3.61Å; R172-D175 PolarHBondContact NH2-OD2 3.24Å
173T91.1Very high78.3Confident40 Ų4075.1 Ų75.125%0.24542%0.415CS..PPolyproline II helixtrans-71.9157170.243.70000111.6A137 H139 S154A137-T173 PolarHBondContact O-N 3.08Å; A137-T173 VanDerWaalsContact O-N 3.08Å; A137-T173 PolarHBondContact O-OG1 2.77Å; H139-T173 WeakPolarHBondContact NE2-CG2 3.47Å; S154-T173 VanDerWaalsContact OG-C 3.27Å; S154-T173 PolarHBondContact OG-O 3.44Å
174P78.9Confident77.3Confident77 Ų7779.1 Ų79.150%0.544%0.438SS..PPolyproline II helixtrans-53.2137164-22.434.4000110S154 E176S154-P174 WeakPolarHBondContact OG-CA 3.49Å; P174-E176 PolarHBondContact O-N 3.49Å
175D73.1Confident76.6Confident103 Ų10374.2 Ų74.255%0.55143%0.427SS*.PPolyproline II helixtrans-65.8130.9160.5-62-24.3000105.5R172 E177R172-D175 IonicContact CZ-OD1 3.74Å; R172-D175 IonicContact CZ-OD2 3.85Å; R172-D175 IonicContact NE-OD1 2.91Å; R172-D175 IonicContact NH2-OD1 3.82Å; R172-D175 PolarHBondContact NH2-OD1 3.46Å; R172-D175 IonicContact NH2-OD2 3.61Å; R172-D175 PolarHBondContact NH2-OD2 3.24Å; D175-E177 PolarHBondContact O-N 3.38Å
176E58.6Low75.7Confident169 Ų16972.9 Ų72.979%0.7942%0.422SS*.  trans-58.6108.6168.8-78.7-177.2164.100107P174 I178P174-E176 PolarHBondContact O-N 3.49Å; E176-I178 HydrophobicContact CB-CG1 4.15Å; E176-I178 PolarHBondContact O-N 3.16Å
177E53.6Low74.4Confident174 Ų17477.7 Ų77.781%0.81345%0.45SS*.  trans-6485.8151.6-84.1-17517000105.6D175 T179D175-E177 PolarHBondContact O-N 3.38Å; E177-T179 HydrophobicContact CB-CG2 4.37Å; E177-T179 PolarHBondContact O-N 2.96Å
178I49.1Very low72.8Confident136 Ų13683.2 Ų83.270%0.69748%0.482SS*.  trans-67.576.6151.2-53.6175.9000104.4E176 S180E176-I178 HydrophobicContact CB-CG1 4.15Å; E176-I178 PolarHBondContact O-N 3.16Å; I178-S180 PolarHBondContact O-N 2.95Å
179T43Very low70.9Confident110 Ų11089.5 Ų89.568%0.67552%0.519SS*.  trans-6496.7153.545.20000104.5E177 A181E177-T179 HydrophobicContact CB-CG2 4.37Å; E177-T179 PolarHBondContact O-N 2.96Å; T179-A181 PolarHBondContact O-N 3.18Å
180S41.2Very low68.6Low110 Ų11096.6 Ų96.677%0.76956%0.56SS**  trans-53.7106.4163.450.80000107.1I178I178-S180 PolarHBondContact O-N 2.95Å
181A45.5Very low66Low171 Ų171105.4 Ų105.4100%1.41361%0.61SS**  trans-71.50165.300000110.1T179T179-A181 PolarHBondContact O-N 3.18Å

Retrieved 181 of 181 residues in 494.1 ms (Link to these results)

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