A0A077Z1T4_TRITR Loading...

DUF1679 and EcKinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1T4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 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
1M81.4Confident89.7Confident121 Ų12169.6 Ų69.660%0.59635%0.35SS*.  0-750-157.4-176.6-65.100112.6Q3 D4 A5 P124 M126M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 2.73Å; M1-D4 WeakPolarHBondContact CA-OD2 3.39Å; M1-D4 PolarHBondContact N-OD2 3.35Å; M1-D4 PolarHBondContact O-N 2.79Å; M1-A5 WeakPolarHBondContact O-CB 3.39Å; M1-A5 PolarHBondContact O-N 2.78Å; M1-P124 HydrophobicContact CE-CG 3.39Å; M1-P124 HydrophobicContact CG-CG 4.46Å; M1-P124 HydrophobicContact SD-CG 3.35Å; M1-P124 WeakPolarHBondContact SD-CG 3.5Å; M1-M126 HydrophobicContact CG-CE 3.35Å; M1-M126 HydrophobicContact CG-SD 4.38Å; M1-M126 HydrophobicContact SD-CE 3.09Å; M1-M126 WeakPolarHBondContact SD-CE 3.32Å
2V86.7Confident89.9Confident27 Ų2768.9 Ų68.916%0.16435%0.347CS..Hα-helixtrans-57.7-44.5175.3170.90000111.1D4 A5 L6 V20 L40 I55 V57V2-D4 PolarHBondContact O-N 3.22Å; V2-A5 WeakPolarHBondContact O-CB 3.44Å; V2-A5 PolarHBondContact O-N 3.31Å; V2-L6 HydrophobicContact CG1-CD1 4.02Å; V2-L6 HydrophobicContact CG1-CG 4.37Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 2.93Å; V2-V20 HydrophobicContact CG1-CG1 4.46Å; V2-L40 HydrophobicContact CG1-CD2 4.2Å; V2-I55 HydrophobicContact CG1-CD1 3.52Å; V2-V57 HydrophobicContact CG2-CG2 4.42Å
3Q89.9Confident90.2Very high77 Ų7763.6 Ų63.636%0.3632%0.321SS..Hα-helixtrans-54.3-49175-173.2174.1-26.100112.5M1 A5 L6 T7 A13 A14 L17M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 2.73Å; Q3-A5 PolarHBondContact O-N 3.44Å; Q3-L6 PolarHBondContact O-N 2.8Å; Q3-T7 PolarHBondContact O-N 3.4Å; Q3-T7 PolarHBondContact O-OG1 2.85Å; Q3-A13 VanDerWaalsContact CG-O 3.27Å; Q3-A13 WeakPolarHBondContact CG-O 3.46Å; Q3-A14 PolarHBondContact NE2-O 2.92Å; Q3-L17 HydrophobicContact CB-CD2 4Å; Q3-L17 HydrophobicContact CG-CD2 4.24Å
4D89.6Confident90.4Very high112 Ų11262.8 Ų62.860%0.59933%0.328SS*.Hα-helixtrans-65.2-41179.6-47.3-52.2000111.5M1 V2 L6 T7M1-D4 WeakPolarHBondContact CA-OD2 3.39Å; M1-D4 PolarHBondContact N-OD2 3.35Å; M1-D4 PolarHBondContact O-N 2.79Å; V2-D4 PolarHBondContact O-N 3.22Å; D4-L6 VanDerWaalsContact C-N 3.29Å; D4-L6 PolarHBondContact O-N 3.29Å; D4-T7 PolarHBondContact O-N 2.98Å
5A90.6Very high90.5Very high8 Ų863.8 Ų63.87%0.06634%0.343CS..Hα-helixtrans-61.7-36.2177.100000112.3M1 V2 Q3 M126 V128M1-A5 WeakPolarHBondContact O-CB 3.39Å; M1-A5 PolarHBondContact O-N 2.78Å; V2-A5 WeakPolarHBondContact O-CB 3.44Å; V2-A5 PolarHBondContact O-N 3.31Å; Q3-A5 PolarHBondContact O-N 3.44Å; A5-M126 HydrophobicContact CB-SD 4.46Å; A5-V128 HydrophobicContact CB-CB 4.49Å; A5-V128 HydrophobicContact CB-CG2 3.82Å
6L93.8Very high90.7Very high0 Ų060.6 Ų60.60%033%0.325CS..Hα-helixtrans-76.8-34.6176.1-67.5174.9000112.6V2 Q3 D4 K8 R9 I10 A13 L17 L40 I55 Y113 V128V2-L6 HydrophobicContact CG1-CD1 4.02Å; V2-L6 HydrophobicContact CG1-CG 4.37Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 2.93Å; Q3-L6 PolarHBondContact O-N 2.8Å; D4-L6 VanDerWaalsContact C-N 3.29Å; D4-L6 PolarHBondContact O-N 3.29Å; L6-K8 PolarHBondContact O-N 3.05Å; L6-R9 PolarHBondContact O-N 2.71Å; L6-I10 HydrophobicContact CD2-CD1 4.42Å; L6-I10 PolarHBondContact O-N 2.99Å; L6-A13 HydrophobicContact CB-CB 3.69Å; L6-A13 HydrophobicContact CD1-CB 4.45Å; L6-L17 HydrophobicContact CD1-CD2 4.5Å; L6-L40 HydrophobicContact CD1-CD1 3.7Å; L6-L40 HydrophobicContact CD1-CD2 4.18Å; L6-I55 HydrophobicContact CD1-CD1 4.16Å; L6-I55 HydrophobicContact CD2-CD1 4.03Å; L6-I55 HydrophobicContact CD2-CG2 4.16Å; L6-I55 HydrophobicContact CG-CD1 4.31Å; L6-Y113 HydrophobicContact CD2-CD1 4.09Å; L6-Y113 HydrophobicContact CD2-CD2 3.91Å; L6-Y113 HydrophobicContact CD2-CE2 4.34Å; L6-Y113 HydrophobicContact CD2-CG 3.74Å; L6-V128 HydrophobicContact CD2-CG1 4.33Å
7T93Very high90.9Very high43 Ų4357.8 Ų57.826%0.26431%0.311SS..Hα-helixtrans-56.9-31.3-169.5-640000113.3Q3 D4 R9 I10 P11 A14Q3-T7 PolarHBondContact O-N 3.4Å; Q3-T7 PolarHBondContact O-OG1 2.85Å; D4-T7 PolarHBondContact O-N 2.98Å; T7-R9 VanDerWaalsContact C-N 3.27Å; T7-R9 PolarHBondContact O-N 3.25Å; T7-I10 WeakPolarHBondContact CA-O 3.26Å; T7-I10 CarbonylContact O-C 3.56Å; T7-P11 WeakPolarHBondContact O-CA 3.39Å; T7-A14 HydrophobicContact CG2-CB 3.9Å
8K86.9Confident91.1Very high156 Ų15664.7 Ų64.768%0.67833%0.332SS*.THydrogen-bonded Turntrans-59.8-34.9177.1-171.5179.5178.3-174.90113L6L6-K8 PolarHBondContact O-N 3.05Å
9R89.7Confident91.2Very high107 Ų10763.6 Ų63.640%0.40433%0.33SS..THydrogen-bonded Turntrans-112-22.7-178.4-71.8-156.6173.1-149.8-4.9114.1L6 T7 N101 C112 Y113L6-R9 PolarHBondContact O-N 2.71Å; T7-R9 VanDerWaalsContact C-N 3.27Å; T7-R9 PolarHBondContact O-N 3.25Å; R9-N101 PolarHBondContact NH2-OD1 3.31Å; R9-C112 WeakPolarHBondContact CD-O 3.26Å; R9-C112 PolarHBondContact NE-O 2.69Å; R9-C112 VanDerWaalsContact NE-O 3.08Å; R9-Y113 HydrophobicContact CB-CD1 4.04Å
10I92.6Very high91.4Very high21 Ų2164.2 Ų64.211%0.10834%0.336CS..  trans-127.280176.8-49.8179.6000106.7L6 T7 L12 A13 W42 L51 P52 Y113L6-I10 HydrophobicContact CD2-CD1 4.42Å; L6-I10 PolarHBondContact O-N 2.99Å; T7-I10 WeakPolarHBondContact CA-O 3.26Å; T7-I10 CarbonylContact O-C 3.56Å; I10-L12 HydrophobicContact CG2-CB 4.35Å; I10-L12 PolarHBondContact O-N 3.17Å; I10-A13 WeakPolarHBondContact O-CB 3.44Å; I10-A13 PolarHBondContact O-N 3.12Å; I10-W42 HydrophobicContact CG2-CH2 3.98Å; I10-L51 HydrophobicContact CG2-CD2 3.94Å; I10-P52 HydrophobicContact CD1-CG 3.52Å; I10-Y113 HydrophobicContact CD1-CD1 4.3Å; I10-Y113 HydrophobicContact CD1-CE1 3.77Å; I10-Y113 HydrophobicContact CG1-CD1 4.46Å; I10-Y113 HydrophobicContact CG1-CE1 4.21Å
11P92.6Very high91.6Very high94 Ų9463.7 Ų63.761%0.6134%0.338SS*.THydrogen-bonded Turntrans-54.4-30-177.6-28.736.5000113.6T7 A13 A14T7-P11 WeakPolarHBondContact O-CA 3.39Å; P11-A13 PolarHBondContact O-N 3.38Å; P11-A14 WeakPolarHBondContact O-CB 3.49Å; P11-A14 PolarHBondContact O-N 2.97Å; P11-A14 VanDerWaalsContact O-N 3.12Å
12L92.3Very high92.2Very high61 Ų6161.1 Ų61.132%0.31934%0.336SS..THydrogen-bonded Turntrans-58.7-23.8174.1-70.5170.6000113.6I10 A14 S15 N16 V46 V49 L51I10-L12 HydrophobicContact CG2-CB 4.35Å; I10-L12 PolarHBondContact O-N 3.17Å; L12-A14 PolarHBondContact O-N 3.24Å; L12-S15 PolarHBondContact O-N 3.5Å; L12-N16 HydrophobicContact CB-CB 4.42Å; L12-N16 WeakPolarHBondContact O-CA 3.43Å; L12-N16 WeakPolarHBondContact O-CB 3.27Å; L12-N16 PolarHBondContact O-N 3.19Å; L12-V46 HydrophobicContact CD1-CB 4.42Å; L12-V46 HydrophobicContact CD1-CG1 4.42Å; L12-V46 HydrophobicContact CD1-CG2 4.02Å; L12-V49 HydrophobicContact CD1-CG1 4.36Å; L12-L51 HydrophobicContact CD1-CD2 4.13Å
13A93.1Very high92.5Very high0 Ų064.9 Ų64.90%035%0.352CS..Hα-helixtrans-57.1-32.417500000112.2Q3 L6 I10 P11 S15 L17 W42Q3-A13 VanDerWaalsContact CG-O 3.27Å; Q3-A13 WeakPolarHBondContact CG-O 3.46Å; L6-A13 HydrophobicContact CB-CB 3.69Å; L6-A13 HydrophobicContact CD1-CB 4.45Å; I10-A13 WeakPolarHBondContact O-CB 3.44Å; I10-A13 PolarHBondContact O-N 3.12Å; P11-A13 PolarHBondContact O-N 3.38Å; A13-S15 VanDerWaalsContact C-N 3.28Å; A13-S15 PolarHBondContact O-N 3.4Å; A13-L17 VanDerWaalsContact O-CB 3.31Å; A13-L17 WeakPolarHBondContact O-CB 3.2Å; A13-W42 HydrophobicContact CB-CH2 4.1Å; A13-W42 HydrophobicContact CB-CZ3 4.22Å
14A92.9Very high92.5Very high52 Ų5263.9 Ų63.943%0.4335%0.353SS..Hα-helixtrans-62-32.5-179.400000113.6Q3 T7 P11 L12Q3-A14 PolarHBondContact NE2-O 2.92Å; T7-A14 HydrophobicContact CG2-CB 3.9Å; P11-A14 WeakPolarHBondContact O-CB 3.49Å; P11-A14 PolarHBondContact O-N 2.97Å; P11-A14 VanDerWaalsContact O-N 3.12Å; L12-A14 PolarHBondContact O-N 3.24Å
15S92.5Very high92.3Very high78 Ų7860.9 Ų60.955%0.54534%0.337SS..Hα-helixtrans-119.6-27.6-174.558.30000114.2L12 A13 K43L12-S15 PolarHBondContact O-N 3.5Å; A13-S15 VanDerWaalsContact C-N 3.28Å; A13-S15 PolarHBondContact O-N 3.4Å; S15-K43 WeakPolarHBondContact O-CE 3.36Å; S15-K43 PolarHBondContact O-NZ 2.77Å
16N93.7Very high91.2Very high12 Ų1261.7 Ų61.76%0.06435%0.346CS..Hα-helixtrans-104.8-12.2-170.1-163.727.2000114L12 R18 W42 K43 E44L12-N16 HydrophobicContact CB-CB 4.42Å; L12-N16 WeakPolarHBondContact O-CA 3.43Å; L12-N16 WeakPolarHBondContact O-CB 3.27Å; L12-N16 PolarHBondContact O-N 3.19Å; N16-R18 PolarHBondContact O-N 3.29Å; N16-W42 HydrophobicContact CB-CE3 4.12Å; N16-W42 CarbonylContact O-C 3.58Å; N16-W42 WeakPolarHBondContact O-CA 3.31Å; N16-K43 PolarHBondContact O-N 2.96Å; N16-K43 WeakPolarHBondContact OD1-CB 3.18Å; N16-K43 PolarHBondContact OD1-N 3.39Å; N16-E44 PolarHBondContact ND2-O 3.21Å; N16-E44 PolarHBondContact OD1-N 3.21Å
17L94.6Very high89.2Confident14 Ų1464.6 Ų64.67%0.07337%0.365CS..EExtended strand (participates in β ladder)trans-71.1121.6174-16964.3000109.2Q3 L6 A13 V20 L40 W42Q3-L17 HydrophobicContact CB-CD2 4Å; Q3-L17 HydrophobicContact CG-CD2 4.24Å; L6-L17 HydrophobicContact CD1-CD2 4.5Å; A13-L17 VanDerWaalsContact O-CB 3.31Å; A13-L17 WeakPolarHBondContact O-CB 3.2Å; L17-V20 HydrophobicContact CD1-CG1 4.28Å; L17-V20 HydrophobicContact CD2-CG1 3.82Å; L17-V20 HydrophobicContact CG-CG1 4.23Å; L17-L40 HydrophobicContact CD1-CB 3.99Å; L17-L40 HydrophobicContact CD1-CD2 4.1Å; L17-W42 HydrophobicContact CB-CE3 4.43Å; L17-W42 HydrophobicContact CB-CZ3 4.25Å; L17-W42 HydrophobicContact CD1-CD2 4.33Å; L17-W42 HydrophobicContact CD1-CE3 4.31Å; L17-W42 HydrophobicContact CD1-CH2 4.31Å; L17-W42 HydrophobicContact CD1-CZ2 4.3Å; L17-W42 HydrophobicContact CD1-CZ3 4.33Å
18R94Very high87Confident182 Ų18266.3 Ų66.369%0.68739%0.392SS*.EExtended strand (participates in β ladder)trans-90.1-52-176.9-177.1-178.7176.3172.2-1.4111.6N16 Q41 K43N16-R18 PolarHBondContact O-N 3.29Å; R18-Q41 WeakPolarHBondContact CA-O 3.35Å; R18-Q41 VanDerWaalsContact CB-O 3.26Å; R18-Q41 WeakPolarHBondContact CB-O 3.09Å; R18-Q41 PolarHBondContact N-O 2.9Å; R18-K43 HydrophobicContact CB-CG 3.71Å; R18-K43 HydrophobicContact CG-CG 4.22Å
19S93.3Very high85.6Confident44 Ų4466.4 Ų66.431%0.30839%0.392SS..EExtended strand (participates in β ladder)trans-156.2157.9-174350000110.2Q41S19-Q41 PolarHBondContact N-O 2.67Å; S19-Q41 PolarHBondContact O-N 3.32Å; S19-Q41 WeakPolarHBondContact OG-CB 3.25Å; S19-Q41 PolarHBondContact OG-OE1 2.82Å
20V95.2Very high83.8Confident75 Ų7563.9 Ų63.946%0.45540%0.4SS..EExtended strand (participates in β ladder)trans-132.5141173.8-58.60000109.4V2 L17 V38 E39 L40V2-V20 HydrophobicContact CG1-CG1 4.46Å; L17-V20 HydrophobicContact CD1-CG1 4.28Å; L17-V20 HydrophobicContact CD2-CG1 3.82Å; L17-V20 HydrophobicContact CG-CG1 4.23Å; V20-V38 HydrophobicContact CB-CG1 3.93Å; V20-V38 HydrophobicContact CG1-CG1 4.4Å; V20-E39 VanDerWaalsContact CA-O 3.31Å; V20-E39 WeakPolarHBondContact CA-O 3.41Å; V20-L40 HydrophobicContact CG1-CD2 3.66Å
21S95.9Very high82.4Confident54 Ų5467.9 Ų67.938%0.37842%0.415SS..EExtended strand (participates in β ladder)trans-126.7149.7169.8390000108.2V38 E39S21-V38 CarbonylContact O-C 3.44Å; S21-V38 WeakPolarHBondContact O-CA 3.46Å; S21-V38 WeakPolarHBondContact O-CG1 3.47Å; S21-E39 PolarHBondContact N-O 3.35Å; S21-E39 VanDerWaalsContact N-O 3.16Å; S21-E39 PolarHBondContact O-N 3.16Å; S21-E39 WeakPolarHBondContact OG-CB 3.46Å; S21-E39 PolarHBondContact OG-OE2 2.85Å
22A94.2Very high81.4Confident67 Ų6765.3 Ų65.355%0.55440%0.395SS*.EExtended strand (participates in β ladder)trans-132.7138.6-17700000110.9R37 V38A22-R37 WeakPolarHBondContact CA-O 3.22Å; A22-V38 HydrophobicContact CB-CG2 4Å
23E92.9Very high80.9Confident106 Ų10663.1 Ų63.150%0.49539%0.385SS..EExtended strand (participates in β ladder)trans-119.9140.9167.562.8172.1-177.700109.9I25 L36 R37E23-I25 HydrophobicContact CG-CG2 4.35Å; E23-I25 PolarHBondContact O-N 2.88Å; E23-L36 CarbonylContact O-C 3.5Å; E23-L36 VanDerWaalsContact O-CA 3.29Å; E23-L36 WeakPolarHBondContact O-CA 3.4Å; E23-R37 HydrophobicContact CG-CB 3.95Å; E23-R37 PolarHBondContact N-O 3.36Å; E23-R37 PolarHBondContact O-N 3.41Å; E23-R37 IonicContact OE1-NH1 3.96Å; E23-R37 PolarHBondContact OE1-NH1 3.16Å
24S88.4Confident80.6Confident55 Ų5566 Ų6639%0.38540%0.398SS..EExtended strand (participates in β ladder)trans-77.7122.9176.4-166.90000110.3C27 E34S24-C27 VanDerWaalsContact OG-CB 3.29Å; S24-C27 WeakPolarHBondContact OG-CB 3.31Å; S24-E34 PolarHBondContact OG-OE1 3.11Å
25I85.2Confident80.5Confident50 Ų5065.1 Ų65.126%0.25639%0.388SS..SBendtrans-105.5107.9175.763.9173.2000109.2E23 V35 R37 I56E23-I25 HydrophobicContact CG-CG2 4.35Å; E23-I25 PolarHBondContact O-N 2.88Å; I25-V35 HydrophobicContact CD1-CB 4.5Å; I25-V35 HydrophobicContact CD1-CG1 3.69Å; I25-V35 HydrophobicContact CG1-CB 3.84Å; I25-V35 HydrophobicContact CG1-CG1 3.55Å; I25-V35 WeakPolarHBondContact CG1-O 3.44Å; I25-V35 PolarHBondContact N-O 3.13Å; I25-R37 HydrophobicContact CD1-CB 4.32Å; I25-R37 HydrophobicContact CG2-CB 3.89Å; I25-I56 HydrophobicContact CD1-CD1 3.75Å
26G68.1Low80.6Confident24 Ų2463.3 Ų63.325%0.24737%0.372CS..SBendtrans90.37.9171.900000116.8K29G26-K29 WeakPolarHBondContact O-CB 3.44Å; G26-K29 PolarHBondContact O-N 2.98Å
27C52.2Low80.6Confident61 Ų6165.4 Ų65.441%0.41238%0.379SS..THydrogen-bonded Turntrans-55.2143.3168-168.70000111.3S24 K29S24-C27 VanDerWaalsContact OG-CB 3.29Å; S24-C27 WeakPolarHBondContact OG-CB 3.31Å; C27-K29 VanDerWaalsContact C-N 3.3Å; C27-K29 PolarHBondContact O-N 3.34Å
28G47.5Very low80.7Confident80 Ų8065 Ų6583%0.82538%0.377SS*.THydrogen-bonded Turntrans79.3-2.2-176.500000116G30G28-G30 VanDerWaalsContact C-N 3.28Å; G28-G30 PolarHBondContact O-N 3.07Å
29K56.1Low80.9Confident157 Ų15760 Ų6068%0.68336%0.361SS*.SBendtrans-86.711178.2-64.4-174.2-178.4175.50114.6G26 C27 Y31G26-K29 WeakPolarHBondContact O-CB 3.44Å; G26-K29 PolarHBondContact O-N 2.98Å; C27-K29 VanDerWaalsContact C-N 3.3Å; C27-K29 PolarHBondContact O-N 3.34Å; K29-Y31 HydrophobicContact CB-CD2 3.77Å; K29-Y31 HydrophobicContact CB-CE2 3.53Å; K29-Y31 HydrophobicContact CD-CE2 4.29Å
30G52.8Low81Confident55 Ų5558.2 Ų58.257%0.56735%0.348SS*.SBendtrans83.622.9178.400000115G28 K64G28-G30 VanDerWaalsContact C-N 3.28Å; G28-G30 PolarHBondContact O-N 3.07Å; G30-K64 PolarHBondContact O-NZ 2.87Å
31Y62.1Low81.1Confident105 Ų10558.7 Ų58.741%0.41235%0.346SS..  trans-87.1143.7176.8-65.5-69.5000113.1K29 S33 K64K29-Y31 HydrophobicContact CB-CD2 3.77Å; K29-Y31 HydrophobicContact CB-CE2 3.53Å; K29-Y31 HydrophobicContact CD-CE2 4.29Å; Y31-S33 WeakPolarHBondContact CB-O 3.46Å; Y31-S33 PolarHBondContact O-N 2.98Å; Y31-K64 VanDerWaalsContact O-CD 3.3Å; Y31-K64 WeakPolarHBondContact O-CD 3.49Å; Y31-K64 WeakPolarHBondContact O-CE 3.46Å; Y31-K64 PolarHBondContact O-NZ 2.77Å; Y31-K64 VanDerWaalsContact O-NZ 3.12Å
32L71.8Confident81.1Confident39 Ų3958 Ų5820%0.20434%0.335CS..SBendtrans-70.2-11.7172.7-72.6173.2000113.1C61 K64 M86 F89L32-C61 WeakPolarHBondContact O-CB 3.36Å; L32-C61 PolarHBondContact O-N 2.96Å; L32-K64 HydrophobicContact CD2-CD 3.66Å; L32-K64 HydrophobicContact CG-CD 4.5Å; L32-M86 HydrophobicContact CB-CG 4.47Å; L32-M86 HydrophobicContact CD2-CG 3.95Å; L32-M86 HydrophobicContact CD2-SD 4.44Å; L32-F89 HydrophobicContact CD1-CD2 3.52Å; L32-F89 HydrophobicContact CD1-CE2 3.66Å
33S82.1Confident81Confident16 Ų1660.8 Ų60.811%0.11233%0.334CS..EExtended strand (participates in β ladder)trans-115.3150.2179.6-52.40000111.1Y31 K58 T59Y31-S33 WeakPolarHBondContact CB-O 3.46Å; Y31-S33 PolarHBondContact O-N 2.98Å; S33-K58 VanDerWaalsContact OG-CE 3.25Å; S33-K58 WeakPolarHBondContact OG-CE 3.32Å; S33-T59 CarbonylContact C-O 3.59Å; S33-T59 WeakPolarHBondContact CA-O 3.45Å; S33-T59 WeakPolarHBondContact CB-O 3.27Å
34E87.4Confident80.9Confident59 Ų5962.5 Ų62.528%0.27634%0.343SS..EExtended strand (participates in β ladder)trans-92.3136.2158.9-177.3165.9-148.900108.6S24 L36 K58 T59S24-E34 PolarHBondContact OG-OE1 3.11Å; E34-L36 HydrophobicContact CG-CD2 3.91Å; E34-L36 HydrophobicContact CG-CG 4.34Å; E34-K58 WeakPolarHBondContact O-CA 3.45Å; E34-T59 HydrophobicContact CB-CG2 4.11Å; E34-T59 PolarHBondContact N-O 2.8Å; E34-T59 PolarHBondContact O-N 3.49Å
35V91.3Very high80.7Confident34 Ų3466.3 Ų66.321%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-121124.8177.1-171.20000107.4I25 I56 V57 K58I25-V35 HydrophobicContact CD1-CB 4.5Å; I25-V35 HydrophobicContact CD1-CG1 3.69Å; I25-V35 HydrophobicContact CG1-CB 3.84Å; I25-V35 HydrophobicContact CG1-CG1 3.55Å; I25-V35 WeakPolarHBondContact CG1-O 3.44Å; I25-V35 PolarHBondContact N-O 3.13Å; V35-I56 HydrophobicContact CG1-CG2 3.42Å; V35-I56 VanDerWaalsContact CG1-CG2 3.42Å; V35-V57 CarbonylContact C-O 3.56Å; V35-V57 WeakPolarHBondContact CA-O 3.48Å; V35-K58 HydrophobicContact CG2-CG 4.19Å
36L93Very high80.6Confident40 Ų4066.4 Ų66.421%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-112.9133.3178.3-54.8177.6000108.6E23 E34 V38 I56 V57E23-L36 CarbonylContact O-C 3.5Å; E23-L36 VanDerWaalsContact O-CA 3.29Å; E23-L36 WeakPolarHBondContact O-CA 3.4Å; E34-L36 HydrophobicContact CG-CD2 3.91Å; E34-L36 HydrophobicContact CG-CG 4.34Å; L36-V38 HydrophobicContact CB-CG2 4.33Å; L36-I56 CarbonylContact O-C 3.5Å; L36-I56 WeakPolarHBondContact O-CA 3.37Å; L36-V57 HydrophobicContact CB-CB 4.4Å; L36-V57 PolarHBondContact N-O 3.49Å; L36-V57 PolarHBondContact O-N 2.81Å
37R95.3Very high81.3Confident56 Ų5671.9 Ų71.921%0.21139%0.39CS..EExtended strand (participates in β ladder)trans-86.9123.4159.6179.3178.6-70.5138.60.2107.4A22 E23 I25 H54 I56 D131A22-R37 WeakPolarHBondContact CA-O 3.22Å; E23-R37 HydrophobicContact CG-CB 3.95Å; E23-R37 PolarHBondContact N-O 3.36Å; E23-R37 PolarHBondContact O-N 3.41Å; E23-R37 IonicContact OE1-NH1 3.96Å; E23-R37 PolarHBondContact OE1-NH1 3.16Å; I25-R37 HydrophobicContact CD1-CB 4.32Å; I25-R37 HydrophobicContact CG2-CB 3.89Å; R37-H54 HydrophobicContact CG-CB 4.45Å; R37-I56 HydrophobicContact CB-CD1 4.13Å; R37-I56 HydrophobicContact CG-CD1 4.29Å; R37-D131 VanDerWaalsContact CD-OD2 3.28Å; R37-D131 WeakPolarHBondContact CD-OD2 3.47Å; R37-D131 WeakPolarHBondContact CG-OD2 3.46Å; R37-D131 IonicContact CZ-OD2 3.65Å; R37-D131 IonicContact NE-OD2 3.85Å; R37-D131 PolarHBondContact NE-OD2 3.36Å
38V96.9Very high82.7Confident6 Ų677.3 Ų77.34%0.03642%0.415CS..EExtended strand (participates in β ladder)trans-109.6119.8179.1-177.90000108.6V20 S21 A22 L36 L40 H54 I55 V57V20-V38 HydrophobicContact CB-CG1 3.93Å; V20-V38 HydrophobicContact CG1-CG1 4.4Å; S21-V38 CarbonylContact O-C 3.44Å; S21-V38 WeakPolarHBondContact O-CA 3.46Å; S21-V38 WeakPolarHBondContact O-CG1 3.47Å; A22-V38 HydrophobicContact CB-CG2 4Å; L36-V38 HydrophobicContact CB-CG2 4.33Å; V38-L40 HydrophobicContact CG1-CD2 4.01Å; V38-H54 CarbonylContact O-C 3.51Å; V38-H54 VanDerWaalsContact O-CA 3.24Å; V38-H54 WeakPolarHBondContact O-CA 3.37Å; V38-I55 HydrophobicContact CB-CD1 4.34Å; V38-I55 HydrophobicContact CB-CG1 3.76Å; V38-I55 HydrophobicContact CG1-CG1 4.36Å; V38-I55 PolarHBondContact N-O 3.23Å; V38-I55 PolarHBondContact O-N 3.39Å; V38-V57 HydrophobicContact CG2-CB 4.26Å; V38-V57 HydrophobicContact CG2-CG2 3.65Å
39E97.1Very high84.5Confident77 Ų7776.8 Ų76.836%0.3640%0.396SS..EExtended strand (participates in β ladder)trans-80.8137169.4-179.3-168.616900109.1V20 S21 Q41 T53V20-E39 VanDerWaalsContact CA-O 3.31Å; V20-E39 WeakPolarHBondContact CA-O 3.41Å; S21-E39 PolarHBondContact N-O 3.35Å; S21-E39 VanDerWaalsContact N-O 3.16Å; S21-E39 PolarHBondContact O-N 3.16Å; S21-E39 WeakPolarHBondContact OG-CB 3.46Å; S21-E39 PolarHBondContact OG-OE2 2.85Å; E39-Q41 PolarHBondContact OE1-NE2 2.82Å; E39-T53 CarbonylContact C-O 3.46Å; E39-T53 WeakPolarHBondContact CA-O 3.31Å
40L96.4Very high85.9Confident6 Ų678.4 Ų78.43%0.03140%0.403CS..EExtended strand (participates in β ladder)trans-115.5123.6-178.3-56.2-178.6000109.4V2 L6 L17 V20 V38 W42 P52 T53 I55V2-L40 HydrophobicContact CG1-CD2 4.2Å; L6-L40 HydrophobicContact CD1-CD1 3.7Å; L6-L40 HydrophobicContact CD1-CD2 4.18Å; L17-L40 HydrophobicContact CD1-CB 3.99Å; L17-L40 HydrophobicContact CD1-CD2 4.1Å; V20-L40 HydrophobicContact CG1-CD2 3.66Å; V38-L40 HydrophobicContact CG1-CD2 4.01Å; L40-W42 HydrophobicContact CB-CZ2 4.44Å; L40-W42 HydrophobicContact CD1-CZ2 3.99Å; L40-P52 HydrophobicContact CD1-CG 4.09Å; L40-T53 PolarHBondContact N-O 3.07Å; L40-I55 HydrophobicContact CD1-CD1 4.31Å; L40-I55 HydrophobicContact CD1-CG1 4.38Å; L40-I55 HydrophobicContact CD1-CG2 3.74Å; L40-I55 HydrophobicContact CD2-CD1 4.06Å; L40-I55 HydrophobicContact CD2-CG1 4.32Å; L40-I55 HydrophobicContact CG-CG1 4.44Å
41Q96Very high87.8Confident85 Ų8577 Ų7740%0.39738%0.382SS..EExtended strand (participates in β ladder)trans-108.4127.5173.2-64.5-177-11.900109.3R18 S19 E39R18-Q41 WeakPolarHBondContact CA-O 3.35Å; R18-Q41 VanDerWaalsContact CB-O 3.26Å; R18-Q41 WeakPolarHBondContact CB-O 3.09Å; R18-Q41 PolarHBondContact N-O 2.9Å; S19-Q41 PolarHBondContact N-O 2.67Å; S19-Q41 PolarHBondContact O-N 3.32Å; S19-Q41 WeakPolarHBondContact OG-CB 3.25Å; S19-Q41 PolarHBondContact OG-OE1 2.82Å; E39-Q41 PolarHBondContact OE1-NE2 2.82Å
42W95.4Very high89.4Confident41 Ų4173.1 Ų73.116%0.15537%0.37CS..EExtended strand (participates in β ladder)trans-99.8148-178.9-5792.8000109.9I10 A13 N16 L17 L40 L51 P52I10-W42 HydrophobicContact CG2-CH2 3.98Å; A13-W42 HydrophobicContact CB-CH2 4.1Å; A13-W42 HydrophobicContact CB-CZ3 4.22Å; N16-W42 HydrophobicContact CB-CE3 4.12Å; N16-W42 CarbonylContact O-C 3.58Å; N16-W42 WeakPolarHBondContact O-CA 3.31Å; L17-W42 HydrophobicContact CB-CE3 4.43Å; L17-W42 HydrophobicContact CB-CZ3 4.25Å; L17-W42 HydrophobicContact CD1-CD2 4.33Å; L17-W42 HydrophobicContact CD1-CE3 4.31Å; L17-W42 HydrophobicContact CD1-CH2 4.31Å; L17-W42 HydrophobicContact CD1-CZ2 4.3Å; L17-W42 HydrophobicContact CD1-CZ3 4.33Å; L40-W42 HydrophobicContact CB-CZ2 4.44Å; L40-W42 HydrophobicContact CD1-CZ2 3.99Å; W42-L51 HydrophobicContact CB-CD1 4.25Å; W42-L51 HydrophobicContact CD2-CB 4.08Å; W42-L51 HydrophobicContact CD2-CD1 3.66Å; W42-L51 HydrophobicContact CD2-CG 4.34Å; W42-L51 HydrophobicContact CE3-CD1 3.8Å; W42-L51 HydrophobicContact CG-CB 4.27Å; W42-L51 HydrophobicContact CG-CD1 3.83Å; W42-L51 HydrophobicContact CH2-CD2 4.27Å; W42-L51 HydrophobicContact CZ2-CB 4.11Å; W42-L51 HydrophobicContact CZ2-CD2 4.38Å; W42-L51 HydrophobicContact CZ3-CD1 4.37Å; W42-L51 HydrophobicContact CZ3-CD2 4.34Å; W42-P52 HydrophobicContact CZ2-CG 4.19Å; W42-P52 PolarHBondContact NE1-O 2.84Å
43K94.1Very high90.5Very high124 Ų12474.4 Ų74.454%0.53938%0.379SS..SBendtrans-70.1-46.3178.7-60.6172.3-175.4169.10110.3S15 N16 R18S15-K43 WeakPolarHBondContact O-CE 3.36Å; S15-K43 PolarHBondContact O-NZ 2.77Å; N16-K43 PolarHBondContact O-N 2.96Å; N16-K43 WeakPolarHBondContact OD1-CB 3.18Å; N16-K43 PolarHBondContact OD1-N 3.39Å; R18-K43 HydrophobicContact CB-CG 3.71Å; R18-K43 HydrophobicContact CG-CG 4.22Å
44E89.2Confident91.2Very high143 Ų14375.7 Ų75.767%0.66838%0.383SS*.SBendtrans-130.9143.5-177.6-64.6177.4-177.700110.6N16N16-E44 PolarHBondContact ND2-O 3.21Å; N16-E44 PolarHBondContact OD1-N 3.21Å
45T84.6Confident91.7Very high135 Ų13572.9 Ų72.983%0.82837%0.37SS*.PPolyproline II helixtrans-72.8130.6163.250.70000108.4
46V82.8Confident91.9Very high51 Ų5172.3 Ų72.331%0.30937%0.366SS..PPolyproline II helixtrans-101.5125.1176.2-178.10000108.3L12 N48 V49L12-V46 HydrophobicContact CD1-CB 4.42Å; L12-V46 HydrophobicContact CD1-CG1 4.42Å; L12-V46 HydrophobicContact CD1-CG2 4.02Å; V46-N48 PolarHBondContact O-N 2.83Å; V46-V49 HydrophobicContact CB-CB 4.18Å; V46-V49 HydrophobicContact CB-CG2 4.44Å; V46-V49 HydrophobicContact CG1-CB 4.22Å; V46-V49 HydrophobicContact CG1-CG2 3.93Å; V46-V49 PolarHBondContact O-N 3.24Å; V46-V49 VanDerWaalsContact O-N 3.13Å
47D83.7Confident92Very high139 Ų13970.9 Ų70.974%0.74336%0.359SS*.THydrogen-bonded Turntrans-54.7135-178.3-70.8-27.3000111.4V49D47-V49 PolarHBondContact O-N 3.08Å; D47-V49 VanDerWaalsContact O-N 3.11Å
48N81.1Confident91.9Very high176 Ų17668.9 Ų68.994%0.94135%0.352SS*.THydrogen-bonded Turntrans61.410.2-179.6-52.1-55.1000115.9V46V46-N48 PolarHBondContact O-N 2.83Å
49V84.8Confident91.6Very high69 Ų6970 Ų7042%0.41836%0.359SS..  trans-115.7111.4175.7-176.90000110L12 V46 D47 L51L12-V49 HydrophobicContact CD1-CG1 4.36Å; V46-V49 HydrophobicContact CB-CB 4.18Å; V46-V49 HydrophobicContact CB-CG2 4.44Å; V46-V49 HydrophobicContact CG1-CB 4.22Å; V46-V49 HydrophobicContact CG1-CG2 3.93Å; V46-V49 PolarHBondContact O-N 3.24Å; V46-V49 VanDerWaalsContact O-N 3.13Å; D47-V49 PolarHBondContact O-N 3.08Å; D47-V49 VanDerWaalsContact O-N 3.11Å; V49-L51 HydrophobicContact CG1-CD2 3.86Å; V49-L51 HydrophobicContact CG1-CG 4.15Å; V49-L51 PolarHBondContact O-N 3.35Å; V49-L51 VanDerWaalsContact O-N 3.16Å
50K86.9Confident91Very high191 Ų19167.6 Ų67.683%0.8335%0.349SS*.  trans-8096.7172.1-170.9174.9-179.7-179.80109.7
51L92.5Very high90.1Very high24 Ų2467.9 Ų67.913%0.12635%0.351CS..  trans-75.9141.2174.6-64171000110.5I10 L12 W42 V49 T53I10-L51 HydrophobicContact CG2-CD2 3.94Å; L12-L51 HydrophobicContact CD1-CD2 4.13Å; W42-L51 HydrophobicContact CB-CD1 4.25Å; W42-L51 HydrophobicContact CD2-CB 4.08Å; W42-L51 HydrophobicContact CD2-CD1 3.66Å; W42-L51 HydrophobicContact CD2-CG 4.34Å; W42-L51 HydrophobicContact CE3-CD1 3.8Å; W42-L51 HydrophobicContact CG-CB 4.27Å; W42-L51 HydrophobicContact CG-CD1 3.83Å; W42-L51 HydrophobicContact CH2-CD2 4.27Å; W42-L51 HydrophobicContact CZ2-CB 4.11Å; W42-L51 HydrophobicContact CZ2-CD2 4.38Å; W42-L51 HydrophobicContact CZ3-CD1 4.37Å; W42-L51 HydrophobicContact CZ3-CD2 4.34Å; V49-L51 HydrophobicContact CG1-CD2 3.86Å; V49-L51 HydrophobicContact CG1-CG 4.15Å; V49-L51 PolarHBondContact O-N 3.35Å; V49-L51 VanDerWaalsContact O-N 3.16Å; L51-T53 PolarHBondContact O-N 2.78Å
52P94.4Very high88.9Confident25 Ų2567.9 Ų67.916%0.16236%0.361CS..  trans-67.5134.2177.927.2-32.6000110.4I10 L40 W42 I55I10-P52 HydrophobicContact CD1-CG 3.52Å; L40-P52 HydrophobicContact CD1-CG 4.09Å; W42-P52 HydrophobicContact CZ2-CG 4.19Å; W42-P52 PolarHBondContact NE1-O 2.84Å; P52-I55 HydrophobicContact CB-CG2 4.45Å
53T95.1Very high87.6Confident65 Ų6570.7 Ų70.740%0.39938%0.376SS..SBendtrans-83.2-25.8172.254.80000111.4E39 L40 L51 E134E39-T53 CarbonylContact C-O 3.46Å; E39-T53 WeakPolarHBondContact CA-O 3.31Å; L40-T53 PolarHBondContact N-O 3.07Å; L51-T53 PolarHBondContact O-N 2.78Å; T53-E134 PolarHBondContact OG1-OE1 2.76Å
54H96.9Very high86.4Confident43 Ų4366.6 Ų66.620%0.19936%0.358CS..EExtended strand (participates in β ladder)trans-141.6150.9-178.5-61.379.5000111.6R37 V38 D131 H133R37-H54 HydrophobicContact CG-CB 4.45Å; V38-H54 CarbonylContact O-C 3.51Å; V38-H54 VanDerWaalsContact O-CA 3.24Å; V38-H54 WeakPolarHBondContact O-CA 3.37Å; H54-D131 HydrophobicContact CB-CB 3.82Å; H54-D131 WeakPolarHBondContact CB-OD2 3.42Å; H54-D131 WeakPolarHBondContact O-CB 3.34Å; H54-H133 AromaticContact CG-CE1 3.72Å; H54-H133 AromaticContact ND1-CE1 3.65Å
55I97.3Very high85.2Confident0 Ų061.6 Ų61.60%034%0.336CS..EExtended strand (participates in β ladder)trans-137.3161.6171.463177.7000109.8V2 L6 V38 L40 P52 V57 Y113 V128 L129V2-I55 HydrophobicContact CG1-CD1 3.52Å; L6-I55 HydrophobicContact CD1-CD1 4.16Å; L6-I55 HydrophobicContact CD2-CD1 4.03Å; L6-I55 HydrophobicContact CD2-CG2 4.16Å; L6-I55 HydrophobicContact CG-CD1 4.31Å; V38-I55 HydrophobicContact CB-CD1 4.34Å; V38-I55 HydrophobicContact CB-CG1 3.76Å; V38-I55 HydrophobicContact CG1-CG1 4.36Å; V38-I55 PolarHBondContact N-O 3.23Å; V38-I55 PolarHBondContact O-N 3.39Å; L40-I55 HydrophobicContact CD1-CD1 4.31Å; L40-I55 HydrophobicContact CD1-CG1 4.38Å; L40-I55 HydrophobicContact CD1-CG2 3.74Å; L40-I55 HydrophobicContact CD2-CD1 4.06Å; L40-I55 HydrophobicContact CD2-CG1 4.32Å; L40-I55 HydrophobicContact CG-CG1 4.44Å; P52-I55 HydrophobicContact CB-CG2 4.45Å; I55-V57 HydrophobicContact CD1-CG2 4.33Å; I55-Y113 HydrophobicContact CG2-CD2 4.32Å; I55-Y113 HydrophobicContact CG2-CE2 3.75Å; I55-V128 HydrophobicContact CD1-CG1 3.7Å; I55-V128 HydrophobicContact CG1-CG1 4.47Å; I55-L129 WeakPolarHBondContact CB-O 3.11Å
56I96Very high84.2Confident23 Ų2357.3 Ų57.312%0.11831%0.311CS..EExtended strand (participates in β ladder)trans-104.3130.2172.4-57.5-54.8000108.9I25 V35 L36 R37 V128 L129 D131I25-I56 HydrophobicContact CD1-CD1 3.75Å; V35-I56 HydrophobicContact CG1-CG2 3.42Å; V35-I56 VanDerWaalsContact CG1-CG2 3.42Å; L36-I56 CarbonylContact O-C 3.5Å; L36-I56 WeakPolarHBondContact O-CA 3.37Å; R37-I56 HydrophobicContact CB-CD1 4.13Å; R37-I56 HydrophobicContact CG-CD1 4.29Å; I56-V128 CarbonylContact O-C 3.59Å; I56-V128 WeakPolarHBondContact O-CA 3.37Å; I56-L129 HydrophobicContact CB-CB 4.3Å; I56-L129 PolarHBondContact N-O 3.12Å; I56-L129 PolarHBondContact O-N 3.42Å; I56-D131 HydrophobicContact CD1-CB 4.04Å; I56-D131 HydrophobicContact CG1-CB 3.99Å
57V95Very high83.4Confident10 Ų1060.4 Ų60.46%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-113.8115.1171.5179.20000108.2V2 V35 L36 V38 I55 M126 I127 V128V2-V57 HydrophobicContact CG2-CG2 4.42Å; V35-V57 CarbonylContact C-O 3.56Å; V35-V57 WeakPolarHBondContact CA-O 3.48Å; L36-V57 HydrophobicContact CB-CB 4.4Å; L36-V57 PolarHBondContact N-O 3.49Å; L36-V57 PolarHBondContact O-N 2.81Å; V38-V57 HydrophobicContact CG2-CB 4.26Å; V38-V57 HydrophobicContact CG2-CG2 3.65Å; I55-V57 HydrophobicContact CD1-CG2 4.33Å; V57-M126 HydrophobicContact CG1-CB 4.44Å; V57-I127 WeakPolarHBondContact CA-O 3.3Å; V57-V128 HydrophobicContact CG2-CG1 4.37Å; V57-V128 HydrophobicContact CG2-CG2 4.34Å
58K93.6Very high82.3Confident14 Ų1456.8 Ų56.86%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-102.5130.8173.4-175.3177.5-173.6-171.90109S33 E34 V35 E93 M126 I127 D217S33-K58 VanDerWaalsContact OG-CE 3.25Å; S33-K58 WeakPolarHBondContact OG-CE 3.32Å; E34-K58 WeakPolarHBondContact O-CA 3.45Å; V35-K58 HydrophobicContact CG2-CG 4.19Å; K58-E93 WeakPolarHBondContact CD-OE2 3.4Å; K58-E93 VanDerWaalsContact CE-OE2 3.24Å; K58-E93 WeakPolarHBondContact CE-OE2 3.25Å; K58-E93 IonicContact NZ-OE1 2.83Å; K58-E93 PolarHBondContact NZ-OE1 3.16Å; K58-E93 IonicContact NZ-OE2 3.06Å; K58-E93 PolarHBondContact NZ-OE2 3.48Å; K58-M126 CarbonylContact O-C 3.6Å; K58-M126 VanDerWaalsContact O-CA 3.27Å; K58-M126 WeakPolarHBondContact O-CA 3.49Å; K58-I127 HydrophobicContact CB-CB 4.44Å; K58-I127 PolarHBondContact N-O 2.89Å; K58-I127 PolarHBondContact O-N 3.32Å; K58-D217 IonicContact NZ-OD1 3.26Å; K58-D217 PolarHBondContact NZ-OD1 2.81Å; K58-D217 IonicContact NZ-OD2 3.8Å
59T90.7Very high81.1Confident30 Ų3054 Ų5418%0.18428%0.283CS..EExtended strand (participates in β ladder)trans-141.1171.2176.2-172.20000110.1S33 E34 P125S33-T59 CarbonylContact C-O 3.59Å; S33-T59 WeakPolarHBondContact CA-O 3.45Å; S33-T59 WeakPolarHBondContact CB-O 3.27Å; E34-T59 HydrophobicContact CB-CG2 4.11Å; E34-T59 PolarHBondContact N-O 2.8Å; E34-T59 PolarHBondContact O-N 3.49Å; T59-P125 WeakPolarHBondContact CB-O 3.49Å; T59-P125 PolarHBondContact OG1-O 2.83Å
60T84.3Confident79.9Confident25 Ų2558.7 Ų58.715%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-73.4134.317853.20000111.7S62 M86 H90 M118T60-S62 PolarHBondContact O-N 3.48Å; T60-S62 VanDerWaalsContact O-N 3.16Å; T60-M86 HydrophobicContact CG2-CE 4.4Å; T60-H90 HydrophobicContact CG2-CB 4.06Å; T60-M118 HydrophobicContact CG2-CG 4.28Å; T60-M118 HydrophobicContact CG2-SD 3.61Å
61C77.9Confident78.7Confident13 Ų1357.3 Ų57.39%0.08829%0.287CS..  trans-80.197.1178.6-176.40000110.6L32 E63 K64 M86L32-C61 WeakPolarHBondContact O-CB 3.36Å; L32-C61 PolarHBondContact O-N 2.96Å; C61-E63 PolarHBondContact O-N 3.32Å; C61-K64 PolarHBondContact O-N 3.47Å; C61-K64 VanDerWaalsContact O-N 3.16Å; C61-M86 WeakPolarHBondContact O-CE 3.21Å
62S69.9Low77.3Confident85 Ų8564.2 Ų64.259%0.59432%0.324SS*.Hα-helixtrans-61.6-27.7176.260.50000112.6T60 K64 L65 S66T60-S62 PolarHBondContact O-N 3.48Å; T60-S62 VanDerWaalsContact O-N 3.16Å; S62-K64 VanDerWaalsContact C-N 3.26Å; S62-K64 PolarHBondContact O-N 2.83Å; S62-L65 WeakPolarHBondContact O-CB 3.24Å; S62-L65 PolarHBondContact O-N 3.44Å; S62-S66 PolarHBondContact O-N 3.2Å
63E68.7Low75.8Confident100 Ų10071.8 Ų71.847%0.46736%0.357SS..Hα-helixtrans-64.5-29.1176.5-63.6-174.6168.600113.2C61 S66 Q67C61-E63 PolarHBondContact O-N 3.32Å; E63-S66 WeakPolarHBondContact CA-OG 3.42Å; E63-S66 CarbonylContact O-C 3.45Å; E63-S66 PolarHBondContact O-N 3.47Å; E63-S66 PolarHBondContact O-OG 2.97Å; E63-Q67 WeakPolarHBondContact O-CB 3.18Å; E63-Q67 WeakPolarHBondContact O-CG 3.1Å; E63-Q67 PolarHBondContact O-N 3.16Å
64K68.3Low74.3Confident38 Ų3870.1 Ų70.117%0.16535%0.347CS..Hα-helixtrans-66.2-47.1173.3-87.6-155.8174.4174.30111G30 Y31 L32 C61 S62 S66 Q67 F68G30-K64 PolarHBondContact O-NZ 2.87Å; Y31-K64 VanDerWaalsContact O-CD 3.3Å; Y31-K64 WeakPolarHBondContact O-CD 3.49Å; Y31-K64 WeakPolarHBondContact O-CE 3.46Å; Y31-K64 PolarHBondContact O-NZ 2.77Å; Y31-K64 VanDerWaalsContact O-NZ 3.12Å; L32-K64 HydrophobicContact CD2-CD 3.66Å; L32-K64 HydrophobicContact CG-CD 4.5Å; C61-K64 PolarHBondContact O-N 3.47Å; C61-K64 VanDerWaalsContact O-N 3.16Å; S62-K64 VanDerWaalsContact C-N 3.26Å; S62-K64 PolarHBondContact O-N 2.83Å; K64-S66 PolarHBondContact O-N 2.92Å; K64-Q67 PolarHBondContact O-N 2.81Å; K64-F68 WeakPolarHBondContact O-CD2 3.43Å; K64-F68 PolarHBondContact O-N 2.83Å
65L64.8Low73.1Confident38 Ų3871.2 Ų71.220%0.19936%0.357CS..Hα-helixtrans-54.3-46171.4-82156.9000110.2S62 Q67 F68 M69 T82 R83 M86S62-L65 WeakPolarHBondContact O-CB 3.24Å; S62-L65 PolarHBondContact O-N 3.44Å; L65-Q67 PolarHBondContact O-N 2.9Å; L65-F68 WeakPolarHBondContact O-CB 3.39Å; L65-F68 PolarHBondContact O-N 3.23Å; L65-M69 VanDerWaalsContact O-CG 3.25Å; L65-M69 WeakPolarHBondContact O-CG 3.46Å; L65-M69 PolarHBondContact O-N 3.03Å; L65-T82 HydrophobicContact CD2-CG2 4.37Å; L65-R83 HydrophobicContact CD2-CB 4.18Å; L65-M86 HydrophobicContact CD1-CE 3.78Å; L65-M86 HydrophobicContact CD1-SD 3.69Å; L65-M86 HydrophobicContact CD2-SD 4.36Å; L65-M86 HydrophobicContact CG-CE 4.26Å; L65-M86 HydrophobicContact CG-SD 3.64Å
66S63.4Low71.8Confident45 Ų4576.4 Ų76.432%0.31539%0.39SS..Hα-helixtrans-67.9-34.3179.481.70000114S62 E63 K64 M69 K70S62-S66 PolarHBondContact O-N 3.2Å; E63-S66 WeakPolarHBondContact CA-OG 3.42Å; E63-S66 CarbonylContact O-C 3.45Å; E63-S66 PolarHBondContact O-N 3.47Å; E63-S66 PolarHBondContact O-OG 2.97Å; K64-S66 PolarHBondContact O-N 2.92Å; S66-M69 PolarHBondContact O-N 2.79Å; S66-K70 WeakPolarHBondContact O-CG 3.43Å; S66-K70 PolarHBondContact O-N 2.86Å
67Q67.2Low71.1Confident116 Ų11679.3 Ų79.354%0.54241%0.413SS..Hα-helixtrans-66.2-37.6172.6-76.5173.819.700111.6E63 K64 L65 K70E63-Q67 WeakPolarHBondContact O-CB 3.18Å; E63-Q67 WeakPolarHBondContact O-CG 3.1Å; E63-Q67 PolarHBondContact O-N 3.16Å; K64-Q67 PolarHBondContact O-N 2.81Å; L65-Q67 PolarHBondContact O-N 2.9Å; Q67-K70 PolarHBondContact O-N 2.83Å
68F59.3Low70.3Confident62 Ų6283.4 Ų83.427%0.27243%0.431SS..Hα-helixtrans-65.3-43.8170.6-84.4-76.9000111K64 L65 K70 R71 T74 T82K64-F68 WeakPolarHBondContact O-CD2 3.43Å; K64-F68 PolarHBondContact O-N 2.83Å; L65-F68 WeakPolarHBondContact O-CB 3.39Å; L65-F68 PolarHBondContact O-N 3.23Å; F68-K70 PolarHBondContact O-N 2.9Å; F68-R71 PolarHBondContact O-N 2.83Å; F68-R71 VanDerWaalsContact O-N 3.12Å; F68-T74 PolarHBondContact O-OG1 2.89Å; F68-T82 HydrophobicContact CD2-CG2 3.86Å; F68-T82 HydrophobicContact CE2-CG2 3.94Å
69M55.6Low69.5Low118 Ų11886.2 Ų86.258%0.58145%0.445SS*.Hα-helixtrans-65-24177.3-67.4178.29000113.9L65 S66 R71L65-M69 VanDerWaalsContact O-CG 3.25Å; L65-M69 WeakPolarHBondContact O-CG 3.46Å; L65-M69 PolarHBondContact O-N 3.03Å; S66-M69 PolarHBondContact O-N 2.79Å; M69-R71 VanDerWaalsContact C-N 3.32Å
70K60.1Low69.1Low167 Ų16789.7 Ų89.773%0.72646%0.459SS*.THydrogen-bonded Turntrans-80.4-10176-75.9179.6-173.6-177.40113.8S66 Q67 F68 D72S66-K70 WeakPolarHBondContact O-CG 3.43Å; S66-K70 PolarHBondContact O-N 2.86Å; Q67-K70 PolarHBondContact O-N 2.83Å; F68-K70 PolarHBondContact O-N 2.9Å; K70-D72 PolarHBondContact O-N 3.21Å
71R62.7Low69Low162 Ų16291.1 Ų91.161%0.61147%0.473SS*.  trans-82.8105.6173.2-73.9180178.1-178.3-0.5107.5F68 M69 E73 T74F68-R71 PolarHBondContact O-N 2.83Å; F68-R71 VanDerWaalsContact O-N 3.12Å; M69-R71 VanDerWaalsContact C-N 3.32Å; R71-E73 PolarHBondContact O-N 3.36Å; R71-T74 VanDerWaalsContact CB-OG1 3.29Å; R71-T74 WeakPolarHBondContact CB-OG1 3.28Å; R71-T74 WeakPolarHBondContact O-CB 3.29Å; R71-T74 PolarHBondContact O-N 3.31Å; R71-T74 PolarHBondContact O-OG1 2.94Å
72D61.5Low69.2Low170 Ų17091.4 Ų91.491%0.90948%0.475SS*.THydrogen-bonded Turntrans-55.3-18.2179.2-71.6-29.4000113.7K70K70-D72 PolarHBondContact O-N 3.21Å
73E64.3Low69.9Low183 Ų18393.4 Ų93.486%0.85547%0.469SS*.THydrogen-bonded Turntrans-93.5-3.4179.5-62-177.817300114.3R71 T75R71-E73 PolarHBondContact O-N 3.36Å; E73-T75 PolarHBondContact O-N 3.45Å
74T62.6Low70.7Confident30 Ų3094 Ų9418%0.18447%0.473CS..  trans-75.3124.8-177.3-65.80000110.6F68 R71 E78F68-T74 PolarHBondContact O-OG1 2.89Å; R71-T74 VanDerWaalsContact CB-OG1 3.29Å; R71-T74 WeakPolarHBondContact CB-OG1 3.28Å; R71-T74 WeakPolarHBondContact O-CB 3.29Å; R71-T74 PolarHBondContact O-N 3.31Å; R71-T74 PolarHBondContact O-OG1 2.94Å; T74-E78 HydrophobicContact CG2-CB 3.72Å; T74-E78 WeakPolarHBondContact CG2-OE2 3.46Å
75T71.1Confident71.5Confident66 Ų6693.6 Ų93.641%0.40548%0.477SS..  trans-76.3151178.668.90000110.4E73 S77 E78 E79E73-T75 PolarHBondContact O-N 3.45Å; T75-S77 PolarHBondContact O-N 2.91Å; T75-E78 WeakPolarHBondContact O-CB 3.44Å; T75-E78 PolarHBondContact O-N 3.35Å; T75-E78 WeakPolarHBondContact OG1-CG 3.35Å; T75-E78 PolarHBondContact OG1-N 3.16Å; T75-E79 PolarHBondContact O-N 2.85Å
76P72.1Confident72.6Confident109 Ų10992.1 Ų92.171%0.70847%0.469SS*.Hα-helixtrans-51.7-30.8172.8-28.335.1000113.4E80P76-E80 WeakPolarHBondContact O-CB 3.4Å; P76-E80 PolarHBondContact O-N 3.21Å
77S79.2Confident73.8Confident84 Ų8493.7 Ų93.759%0.58747%0.472SS*.Hα-helixtrans-66.9-35.2175.6-1770000113.4T75 A81T75-S77 PolarHBondContact O-N 2.91Å; S77-A81 VanDerWaalsContact O-CB 3.26Å; S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.2Å
78E78.8Confident74.9Confident97 Ų9792.6 Ų92.645%0.45347%0.469SS..Hα-helixtrans-74.4-38.1178.5-74.9177.3173.400111.7T74 T75 A81 T82T74-E78 HydrophobicContact CG2-CB 3.72Å; T74-E78 WeakPolarHBondContact CG2-OE2 3.46Å; T75-E78 WeakPolarHBondContact O-CB 3.44Å; T75-E78 PolarHBondContact O-N 3.35Å; T75-E78 WeakPolarHBondContact OG1-CG 3.35Å; T75-E78 PolarHBondContact OG1-N 3.16Å; E78-A81 PolarHBondContact O-N 3.5Å; E78-T82 WeakPolarHBondContact O-CB 3.25Å; E78-T82 PolarHBondContact O-N 2.96Å; E78-T82 PolarHBondContact O-OG1 3.27Å
79E76.3Confident76.4Confident73 Ų7392.3 Ų92.334%0.34147%0.468SS..Hα-helixtrans-62.7-48.5173.6-175.4-176.5168.600110.6T75 A81 T82 R83T75-E79 PolarHBondContact O-N 2.85Å; E79-A81 PolarHBondContact O-N 3.21Å; E79-T82 PolarHBondContact O-N 2.78Å; E79-R83 PolarHBondContact O-N 3.46Å
80E82.8Confident78.2Confident103 Ų10386.9 Ų86.948%0.48144%0.441SS..Hα-helixtrans-60.9-45.1177.2-175.3165.4-153.100111.5P76 T82 R83 M84P76-E80 WeakPolarHBondContact O-CB 3.4Å; P76-E80 PolarHBondContact O-N 3.21Å; E80-T82 VanDerWaalsContact C-N 3.31Å; E80-T82 PolarHBondContact O-N 2.95Å; E80-R83 PolarHBondContact O-N 3.26Å; E80-R83 IonicContact OE1-NH2 2.94Å; E80-M84 HydrophobicContact CG-CG 4.39Å; E80-M84 HydrophobicContact CG-SD 4.04Å; E80-M84 WeakPolarHBondContact O-CB 3.34Å; E80-M84 VanDerWaalsContact O-CG 3.25Å; E80-M84 WeakPolarHBondContact O-CG 3.29Å; E80-M84 PolarHBondContact O-N 3.32Å
81A82.6Confident79.9Confident54 Ų5480.9 Ų80.945%0.44642%0.417SS..Hα-helixtrans-59.9-40175.600000112.4S77 E78 E79 M84 A85S77-A81 VanDerWaalsContact O-CB 3.26Å; S77-A81 WeakPolarHBondContact O-CB 3.34Å; S77-A81 PolarHBondContact O-N 3.2Å; E78-A81 PolarHBondContact O-N 3.5Å; E79-A81 PolarHBondContact O-N 3.21Å; A81-M84 PolarHBondContact O-N 3.43Å; A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 3.12Å
82T81.8Confident81.4Confident20 Ų2074 Ų7412%0.12339%0.393CS..Hα-helixtrans-65.5-45.4177.1-59.90000111.2L65 F68 E78 E79 E80 A85 M86L65-T82 HydrophobicContact CD2-CG2 4.37Å; F68-T82 HydrophobicContact CD2-CG2 3.86Å; F68-T82 HydrophobicContact CE2-CG2 3.94Å; E78-T82 WeakPolarHBondContact O-CB 3.25Å; E78-T82 PolarHBondContact O-N 2.96Å; E78-T82 PolarHBondContact O-OG1 3.27Å; E79-T82 PolarHBondContact O-N 2.78Å; E80-T82 VanDerWaalsContact C-N 3.31Å; E80-T82 PolarHBondContact O-N 2.95Å; T82-A85 PolarHBondContact O-N 2.75Å; T82-M86 HydrophobicContact CG2-SD 4.24Å; T82-M86 WeakPolarHBondContact O-CG 3.16Å; T82-M86 PolarHBondContact O-N 3.35Å
83R84.4Confident83Confident126 Ų12666 Ų6648%0.47535%0.35SS..Hα-helixtrans-60.4-46.4175.9-175.5-177.965.1141.7-0.9111.2L65 E79 E80 A85 M86 E87L65-R83 HydrophobicContact CD2-CB 4.18Å; E79-R83 PolarHBondContact O-N 3.46Å; E80-R83 PolarHBondContact O-N 3.26Å; E80-R83 IonicContact OE1-NH2 2.94Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 3.26Å; R83-M86 PolarHBondContact O-N 3.48Å; R83-E87 WeakPolarHBondContact O-CB 3.47Å; R83-E87 PolarHBondContact O-N 3Å
84M86.4Confident84.5Confident112 Ų11257.6 Ų57.655%0.55231%0.312SS*.Hα-helixtrans-62.1-40.5177-71.3177.37600112E80 A81 E87 L88E80-M84 HydrophobicContact CG-CG 4.39Å; E80-M84 HydrophobicContact CG-SD 4.04Å; E80-M84 WeakPolarHBondContact O-CB 3.34Å; E80-M84 VanDerWaalsContact O-CG 3.25Å; E80-M84 WeakPolarHBondContact O-CG 3.29Å; E80-M84 PolarHBondContact O-N 3.32Å; A81-M84 PolarHBondContact O-N 3.43Å; M84-E87 PolarHBondContact O-N 2.78Å; M84-L88 VanDerWaalsContact O-CB 3.25Å; M84-L88 WeakPolarHBondContact O-CB 3.23Å; M84-L88 PolarHBondContact O-N 3.02Å
85A85.1Confident86.1Confident31 Ų3157.6 Ų57.626%0.25632%0.315SS..Hα-helixtrans-65.7-43.1176.400000111.9A81 T82 R83 E87 L88 F89A81-A85 WeakPolarHBondContact O-CB 3.35Å; A81-A85 PolarHBondContact O-N 3.12Å; T82-A85 PolarHBondContact O-N 2.75Å; R83-A85 VanDerWaalsContact C-N 3.34Å; R83-A85 PolarHBondContact O-N 3.26Å; A85-E87 VanDerWaalsContact C-N 3.34Å; A85-E87 PolarHBondContact O-N 2.79Å; A85-L88 PolarHBondContact O-N 3.47Å; A85-F89 HydrophobicContact CB-CE2 4.16Å; A85-F89 WeakPolarHBondContact O-CB 3.45Å; A85-F89 WeakPolarHBondContact O-CD2 3.34Å; A85-F89 VanDerWaalsContact O-CG 3.22Å; A85-F89 WeakPolarHBondContact O-CG 3.33Å; A85-F89 PolarHBondContact O-N 2.99Å
86M86.7Confident87.3Confident6 Ų654.5 Ų54.53%0.0330%0.295CS..Hα-helixtrans-60.9-44.2175.8-73.4176.763.500111.8L32 T60 C61 L65 T82 R83 H90L32-M86 HydrophobicContact CB-CG 4.47Å; L32-M86 HydrophobicContact CD2-CG 3.95Å; L32-M86 HydrophobicContact CD2-SD 4.44Å; T60-M86 HydrophobicContact CG2-CE 4.4Å; C61-M86 WeakPolarHBondContact O-CE 3.21Å; L65-M86 HydrophobicContact CD1-CE 3.78Å; L65-M86 HydrophobicContact CD1-SD 3.69Å; L65-M86 HydrophobicContact CD2-SD 4.36Å; L65-M86 HydrophobicContact CG-CE 4.26Å; L65-M86 HydrophobicContact CG-SD 3.64Å; T82-M86 HydrophobicContact CG2-SD 4.24Å; T82-M86 WeakPolarHBondContact O-CG 3.16Å; T82-M86 PolarHBondContact O-N 3.35Å; R83-M86 PolarHBondContact O-N 3.48Å; M86-H90 WeakPolarHBondContact O-CB 3.15Å; M86-H90 PolarHBondContact O-N 3.24Å
87E90Very high88.5Confident78 Ų7849.4 Ų49.436%0.36426%0.262SS..Hα-helixtrans-62.6-48.5175.5-179.5172.1-174.600112R83 M84 A85 F89 N91 M118R83-E87 WeakPolarHBondContact O-CB 3.47Å; R83-E87 PolarHBondContact O-N 3Å; M84-E87 PolarHBondContact O-N 2.78Å; A85-E87 VanDerWaalsContact C-N 3.34Å; A85-E87 PolarHBondContact O-N 2.79Å; E87-F89 PolarHBondContact O-N 3.12Å; E87-N91 WeakPolarHBondContact CG-ND2 3.47Å; E87-N91 WeakPolarHBondContact O-CB 3.44Å; E87-N91 VanDerWaalsContact O-CG 3.25Å; E87-N91 PolarHBondContact O-N 2.93Å; E87-M118 WeakPolarHBondContact CA-SD 3.48Å; E87-M118 HydrophobicContact CB-CE 4.24Å; E87-M118 HydrophobicContact CB-SD 3.91Å; E87-M118 HydrophobicContact CG-CB 4.12Å; E87-M118 HydrophobicContact CG-SD 4.37Å
88L90.5Very high89.2Confident93 Ų9349 Ų4949%0.48725%0.251SS..Hα-helixtrans-56.2-50.7178.5176.562.7000111.4M84 A85 T92M84-L88 VanDerWaalsContact O-CB 3.25Å; M84-L88 WeakPolarHBondContact O-CB 3.23Å; M84-L88 PolarHBondContact O-N 3.02Å; A85-L88 PolarHBondContact O-N 3.47Å; L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 PolarHBondContact O-N 2.83Å; L88-T92 PolarHBondContact O-OG1 2.86Å
89F90.5Very high90Very high57 Ų5744.4 Ų44.425%0.2523%0.23CC..Hα-helixtrans-68.5-44.1-175.7-64.1-31.6000112.6L32 A85 E87 T92 E93 Q219 I220L32-F89 HydrophobicContact CD1-CD2 3.52Å; L32-F89 HydrophobicContact CD1-CE2 3.66Å; A85-F89 HydrophobicContact CB-CE2 4.16Å; A85-F89 WeakPolarHBondContact O-CB 3.45Å; A85-F89 WeakPolarHBondContact O-CD2 3.34Å; A85-F89 VanDerWaalsContact O-CG 3.22Å; A85-F89 WeakPolarHBondContact O-CG 3.33Å; A85-F89 PolarHBondContact O-N 2.99Å; E87-F89 PolarHBondContact O-N 3.12Å; F89-T92 PolarHBondContact O-N 3.45Å; F89-E93 PolarHBondContact O-N 3.42Å; F89-Q219 WeakPolarHBondContact CA-O 3.47Å; F89-Q219 HydrophobicContact CB-CB 4.04Å; F89-Q219 HydrophobicContact CB-CG 4.3Å; F89-Q219 WeakPolarHBondContact CD1-O 3.43Å; F89-I220 HydrophobicContact CD1-CG2 3.91Å; F89-I220 HydrophobicContact CE1-CG2 3.76Å; F89-I220 HydrophobicContact CZ-CG2 4.32Å
90H93.2Very high90.9Very high4 Ų441.2 Ų41.22%0.01921%0.214CC..Hα-helixtrans-64.5-44.3177.7-177.684.9000111.8T60 M86 E93 C94 I116 M118T60-H90 HydrophobicContact CG2-CB 4.06Å; M86-H90 WeakPolarHBondContact O-CB 3.15Å; M86-H90 PolarHBondContact O-N 3.24Å; H90-E93 PolarHBondContact O-N 3.37Å; H90-C94 PolarHBondContact NE2-SG 3.46Å; H90-C94 VanDerWaalsContact NE2-SG 3.39Å; H90-C94 PolarHBondContact O-N 2.91Å; H90-C94 PolarHBondContact O-SG 3.39Å; H90-I116 PolarHBondContact NE2-O 3.03Å; H90-M118 HydrophobicContact CB-SD 4.39Å
91N94.6Very high91.4Very high40 Ų4038.3 Ų38.321%0.21420%0.202CC..Hα-helixtrans-70.9-35.3-179.2-71.3-5.7000112.1E87 C94 A95 P117 M118E87-N91 WeakPolarHBondContact CG-ND2 3.47Å; E87-N91 WeakPolarHBondContact O-CB 3.44Å; E87-N91 VanDerWaalsContact O-CG 3.25Å; E87-N91 PolarHBondContact O-N 2.93Å; N91-C94 PolarHBondContact O-N 3.43Å; N91-A95 WeakPolarHBondContact O-CB 3.18Å; N91-A95 PolarHBondContact O-N 3Å; N91-P117 VanDerWaalsContact OD1-CA 3.31Å; N91-P117 WeakPolarHBondContact OD1-CA 3.09Å; N91-P117 VanDerWaalsContact OD1-CB 3.25Å; N91-P117 WeakPolarHBondContact OD1-CB 3.4Å; N91-M118 PolarHBondContact OD1-N 2.93Å
92T94.5Very high91.9Very high18 Ų1839.4 Ų39.411%0.1120%0.203CC..Hα-helixtrans-58.9-49.7171.9-64.90000110.4L88 F89 C94 A95 V96 C221L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 PolarHBondContact O-N 2.83Å; L88-T92 PolarHBondContact O-OG1 2.86Å; F89-T92 PolarHBondContact O-N 3.45Å; T92-C94 VanDerWaalsContact C-N 3.32Å; T92-C94 PolarHBondContact O-N 3Å; T92-A95 PolarHBondContact O-N 3.19Å; T92-A95 VanDerWaalsContact O-N 3.16Å; T92-V96 WeakPolarHBondContact O-CG2 3.42Å; T92-V96 PolarHBondContact O-N 3.5Å; T92-C221 HydrophobicContact CG2-CB 4.1Å; T92-C221 WeakPolarHBondContact CG2-O 3.46Å
93E95.5Very high92.5Very high2 Ų242 Ų421%0.00921%0.214CC..Hα-helixtrans-61.6-41.2178.8-162.6175.7-162.700111.9K58 F89 H90 A95 V96 Y97 I127 W218 Q219K58-E93 WeakPolarHBondContact CD-OE2 3.4Å; K58-E93 VanDerWaalsContact CE-OE2 3.24Å; K58-E93 WeakPolarHBondContact CE-OE2 3.25Å; K58-E93 IonicContact NZ-OE1 2.83Å; K58-E93 PolarHBondContact NZ-OE1 3.16Å; K58-E93 IonicContact NZ-OE2 3.06Å; K58-E93 PolarHBondContact NZ-OE2 3.48Å; F89-E93 PolarHBondContact O-N 3.42Å; H90-E93 PolarHBondContact O-N 3.37Å; E93-A95 PolarHBondContact O-N 3.25Å; E93-V96 PolarHBondContact O-N 2.9Å; E93-Y97 HydrophobicContact CG-CD2 3.86Å; E93-Y97 HydrophobicContact CG-CE2 3.66Å; E93-Y97 VanDerWaalsContact O-CD2 3.31Å; E93-Y97 WeakPolarHBondContact O-CD2 3.34Å; E93-Y97 PolarHBondContact O-N 2.9Å; E93-I127 HydrophobicContact CB-CD1 3.7Å; E93-I127 HydrophobicContact CG-CD1 3.6Å; E93-I127 WeakPolarHBondContact OE2-CD1 3.49Å; E93-W218 HydrophobicContact CG-CB 4.13Å; E93-Q219 HydrophobicContact CB-CB 4.33Å
94C96.3Very high92.9Very high7 Ų740.5 Ų40.55%0.04722%0.221CC..Hα-helixtrans-59.7-45.4174.1-700000112.1H90 N91 T92 V96 Y97 E98 A115 I127H90-C94 PolarHBondContact NE2-SG 3.46Å; H90-C94 VanDerWaalsContact NE2-SG 3.39Å; H90-C94 PolarHBondContact O-N 2.91Å; H90-C94 PolarHBondContact O-SG 3.39Å; N91-C94 PolarHBondContact O-N 3.43Å; T92-C94 VanDerWaalsContact C-N 3.32Å; T92-C94 PolarHBondContact O-N 3Å; C94-V96 VanDerWaalsContact C-N 3.32Å; C94-V96 PolarHBondContact O-N 3.35Å; C94-Y97 PolarHBondContact O-N 2.92Å; C94-E98 WeakPolarHBondContact O-CB 3.39Å; C94-E98 PolarHBondContact O-N 3.36Å; C94-A115 HydrophobicContact CB-CB 4.02Å; C94-I127 VanDerWaalsContact SG-CG1 3.57Å
95A96Very high93.3Very high30 Ų3035.7 Ų35.725%0.24820%0.198CC..Hα-helixtrans-63.1-39.5-179.900000111.8N91 T92 E93 L99N91-A95 WeakPolarHBondContact O-CB 3.18Å; N91-A95 PolarHBondContact O-N 3Å; T92-A95 PolarHBondContact O-N 3.19Å; T92-A95 VanDerWaalsContact O-N 3.16Å; E93-A95 PolarHBondContact O-N 3.25Å; A95-L99 VanDerWaalsContact O-CB 3.23Å; A95-L99 WeakPolarHBondContact O-CB 3.07Å; A95-L99 PolarHBondContact O-N 3.43Å
96V96.3Very high93.6Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-65-48.5175.8174.90000111.1T92 E93 C94 E98 L99 F100 L175 W218 C221T92-V96 WeakPolarHBondContact O-CG2 3.42Å; T92-V96 PolarHBondContact O-N 3.5Å; E93-V96 PolarHBondContact O-N 2.9Å; C94-V96 VanDerWaalsContact C-N 3.32Å; C94-V96 PolarHBondContact O-N 3.35Å; V96-E98 PolarHBondContact O-N 3.06Å; V96-L99 WeakPolarHBondContact O-CB 3.25Å; V96-L99 PolarHBondContact O-N 3Å; V96-F100 HydrophobicContact CG1-CD2 3.67Å; V96-F100 HydrophobicContact CG1-CE1 4.36Å; V96-F100 HydrophobicContact CG1-CE2 3.33Å; V96-F100 HydrophobicContact CG1-CG 4.33Å; V96-F100 HydrophobicContact CG1-CZ 3.72Å; V96-F100 WeakPolarHBondContact O-CG 3.19Å; V96-F100 PolarHBondContact O-N 2.8Å; V96-L175 HydrophobicContact CG2-CD2 3.66Å; V96-W218 HydrophobicContact CB-CB 4.09Å; V96-W218 HydrophobicContact CG1-CB 3.81Å; V96-W218 HydrophobicContact CG1-CD2 3.88Å; V96-W218 HydrophobicContact CG1-CE3 3.98Å; V96-W218 HydrophobicContact CG1-CG 3.82Å; V96-W218 HydrophobicContact CG2-CB 4.31Å; V96-C221 HydrophobicContact CG2-CB 3.65Å; V96-C221 WeakPolarHBondContact CG2-SG 3.31Å
97Y96.6Very high94.1Very high3 Ų341.5 Ų41.51%0.01223%0.225CC..Hα-helixtrans-65.2-38.6179.3-81.9-59000112.6E93 C94 L99 F100 N101 C112 I127 L129 W218E93-Y97 HydrophobicContact CG-CD2 3.86Å; E93-Y97 HydrophobicContact CG-CE2 3.66Å; E93-Y97 VanDerWaalsContact O-CD2 3.31Å; E93-Y97 WeakPolarHBondContact O-CD2 3.34Å; E93-Y97 PolarHBondContact O-N 2.9Å; C94-Y97 PolarHBondContact O-N 2.92Å; Y97-L99 VanDerWaalsContact C-N 3.34Å; Y97-F100 PolarHBondContact O-N 2.95Å; Y97-N101 WeakPolarHBondContact O-CB 3.22Å; Y97-N101 PolarHBondContact O-N 3.38Å; Y97-N101 PolarHBondContact O-ND2 2.86Å; Y97-C112 HydrophobicContact CD1-CB 3.61Å; Y97-C112 HydrophobicContact CE1-CB 4.32Å; Y97-C112 HydrophobicContact CG-CB 3.93Å; Y97-I127 HydrophobicContact CD2-CD1 4.49Å; Y97-I127 HydrophobicContact CD2-CG2 3.8Å; Y97-I127 HydrophobicContact CE2-CG2 3.97Å; Y97-L129 HydrophobicContact CD1-CD2 4.12Å; Y97-L129 HydrophobicContact CD2-CD2 4.29Å; Y97-L129 HydrophobicContact CE1-CD2 3.66Å; Y97-L129 HydrophobicContact CE2-CD1 4.21Å; Y97-L129 HydrophobicContact CE2-CD2 3.85Å; Y97-L129 HydrophobicContact CG-CD2 4.42Å; Y97-W218 AromaticContact CZ-CD1 3.84Å
98E94.9Very high94.4Very high75 Ų7539 Ų3935%0.3522%0.215SC..Hα-helixtrans-66-39.3174.6-170.862.2-163.200111.4C94 V96 N101 T102C94-E98 WeakPolarHBondContact O-CB 3.39Å; C94-E98 PolarHBondContact O-N 3.36Å; V96-E98 PolarHBondContact O-N 3.06Å; E98-N101 PolarHBondContact O-N 2.68Å; E98-T102 WeakPolarHBondContact O-CB 3.47Å; E98-T102 PolarHBondContact O-N 3.49Å; E98-T102 PolarHBondContact O-OG1 2.93Å
99L95.2Very high94.6Very high1 Ų136.5 Ų36.51%0.00520%0.202CC..Hα-helixtrans-59.5-53.3173.5173.866.9000111.3A95 V96 Y97 N101 T102 H103 C169 W171 K174 I187A95-L99 VanDerWaalsContact O-CB 3.23Å; A95-L99 WeakPolarHBondContact O-CB 3.07Å; A95-L99 PolarHBondContact O-N 3.43Å; V96-L99 WeakPolarHBondContact O-CB 3.25Å; V96-L99 PolarHBondContact O-N 3Å; Y97-L99 VanDerWaalsContact C-N 3.34Å; L99-N101 VanDerWaalsContact C-N 3.28Å; L99-N101 PolarHBondContact O-N 3.38Å; L99-T102 PolarHBondContact O-N 3.46Å; L99-T102 VanDerWaalsContact O-N 3.12Å; L99-H103 PolarHBondContact O-N 2.97Å; L99-C169 HydrophobicContact CD1-CB 4.41Å; L99-W171 HydrophobicContact CD1-CB 4.06Å; L99-W171 HydrophobicContact CD2-CB 3.43Å; L99-W171 VanDerWaalsContact CD2-CB 3.43Å; L99-W171 HydrophobicContact CG-CB 4.39Å; L99-K174 HydrophobicContact CB-CD 4.48Å; L99-K174 HydrophobicContact CD1-CD 4.31Å; L99-I187 HydrophobicContact CD2-CD1 3.85Å
100F95.7Very high94.8Very high5 Ų534 Ų342%0.02219%0.192CC..Hα-helixtrans-67.7-28.9-179.6-67.3-14.2000112.5V96 Y97 T102 H103 P104 P105 L109 L160 W163 I187 W218V96-F100 HydrophobicContact CG1-CD2 3.67Å; V96-F100 HydrophobicContact CG1-CE1 4.36Å; V96-F100 HydrophobicContact CG1-CE2 3.33Å; V96-F100 HydrophobicContact CG1-CG 4.33Å; V96-F100 HydrophobicContact CG1-CZ 3.72Å; V96-F100 WeakPolarHBondContact O-CG 3.19Å; V96-F100 PolarHBondContact O-N 2.8Å; Y97-F100 PolarHBondContact O-N 2.95Å; F100-T102 VanDerWaalsContact C-N 3.33Å; F100-H103 CarbonylContact O-C 3.47Å; F100-P104 WeakPolarHBondContact O-CA 3.43Å; F100-P104 WeakPolarHBondContact O-CB 3.15Å; F100-P104 VanDerWaalsContact O-N 3.16Å; F100-P105 HydrophobicContact CD1-CG 3.79Å; F100-P105 HydrophobicContact CE1-CG 3.9Å; F100-P105 HydrophobicContact CG-CG 4.12Å; F100-P105 HydrophobicContact CZ-CG 4.3Å; F100-L109 HydrophobicContact CB-CD1 3.91Å; F100-L109 HydrophobicContact CD2-CD1 3.52Å; F100-L109 HydrophobicContact CD2-CD2 4.06Å; F100-L109 HydrophobicContact CD2-CG 4.47Å; F100-L109 HydrophobicContact CE2-CD1 4.22Å; F100-L109 HydrophobicContact CE2-CD2 4.19Å; F100-L109 HydrophobicContact CG-CD1 3.9Å; F100-L160 HydrophobicContact CE1-CD1 4.39Å; F100-L160 HydrophobicContact CZ-CD1 4.07Å; F100-W163 HydrophobicContact CE1-CZ3 4.26Å; F100-I187 HydrophobicContact CE1-CD1 3.97Å; F100-I187 HydrophobicContact CZ-CD1 4.45Å; F100-I187 HydrophobicContact CZ-CG2 4.33Å; F100-W218 HydrophobicContact CE2-CD2 4.08Å; F100-W218 AromaticContact CE2-CE2 3.9Å; F100-W218 HydrophobicContact CE2-CE3 4.17Å; F100-W218 AromaticContact CE2-CH2 3.92Å; F100-W218 HydrophobicContact CE2-CH2 3.92Å; F100-W218 AromaticContact CE2-CZ2 3.82Å; F100-W218 HydrophobicContact CE2-CZ2 3.82Å; F100-W218 HydrophobicContact CE2-CZ3 4.09Å; F100-W218 HydrophobicContact CZ-CE3 4.45Å; F100-W218 HydrophobicContact CZ-CH2 4.15Å; F100-W218 HydrophobicContact CZ-CZ3 4.12Å
101N93.3Very high94.9Very high43 Ų4336.1 Ų36.123%0.2321%0.205CC..Hα-helixtrans-67.9-35.2171.9-80.2-17.4000112.4R9 Y97 E98 L99 C112R9-N101 PolarHBondContact NH2-OD1 3.31Å; Y97-N101 WeakPolarHBondContact O-CB 3.22Å; Y97-N101 PolarHBondContact O-N 3.38Å; Y97-N101 PolarHBondContact O-ND2 2.86Å; E98-N101 PolarHBondContact O-N 2.68Å; L99-N101 VanDerWaalsContact C-N 3.28Å; L99-N101 PolarHBondContact O-N 3.38Å; N101-C112 PolarHBondContact ND2-O 2.94Å
102T93.1Very high95Very high76 Ų7634.2 Ų34.247%0.46620%0.195SC..Hα-helixtrans-83.9-38.6-179.3-50.40000111.8E98 L99 F100E98-T102 WeakPolarHBondContact O-CB 3.47Å; E98-T102 PolarHBondContact O-N 3.49Å; E98-T102 PolarHBondContact O-OG1 2.93Å; L99-T102 PolarHBondContact O-N 3.46Å; L99-T102 VanDerWaalsContact O-N 3.12Å; F100-T102 VanDerWaalsContact C-N 3.33Å
103H93.6Very high95.1Very high74 Ų7434.4 Ų34.434%0.34319%0.194SC..SBendtrans-134.480.5-177.1-53.596.5000108.2L99 F100 P105 W163 C169L99-H103 PolarHBondContact O-N 2.97Å; F100-H103 CarbonylContact O-C 3.47Å; H103-P105 WeakPolarHBondContact O-CD 3.33Å; H103-W163 HydrophobicContact CB-CH2 4.42Å; H103-W163 HydrophobicContact CB-CZ2 3.89Å; H103-W163 WeakPolarHBondContact O-CZ2 3.48Å; H103-C169 HydrophobicContact CB-CB 3.96Å; H103-C169 VanDerWaalsContact CG-CB 3.44Å; H103-C169 WeakPolarHBondContact ND1-CB 3.24Å
104P92.8Very high95.1Very high96 Ų9635.4 Ų35.462%0.62320%0.201SC*.  trans-66.5123.6-174.724.6-32.7000110.8F100F100-P104 WeakPolarHBondContact O-CA 3.43Å; F100-P104 WeakPolarHBondContact O-CB 3.15Å; F100-P104 VanDerWaalsContact O-N 3.16Å
105P93.9Very high95.1Very high10 Ų1036.1 Ų36.17%0.06521%0.207CC..  trans-71.4156.2166.831.7-35.5000110.4F100 H103 I107 L109 L160 W163F100-P105 HydrophobicContact CD1-CG 3.79Å; F100-P105 HydrophobicContact CE1-CG 3.9Å; F100-P105 HydrophobicContact CG-CG 4.12Å; F100-P105 HydrophobicContact CZ-CG 4.3Å; H103-P105 WeakPolarHBondContact O-CD 3.33Å; P105-I107 HydrophobicContact CB-CG1 3.94Å; P105-I107 HydrophobicContact CG-CD1 4.1Å; P105-I107 HydrophobicContact CG-CG1 3.58Å; P105-I107 PolarHBondContact O-N 3.31Å; P105-L109 HydrophobicContact CG-CD1 3.96Å; P105-L160 HydrophobicContact CB-CD1 4.25Å; P105-L160 HydrophobicContact CG-CD1 4.36Å; P105-W163 HydrophobicContact CB-CB 4.49Å; P105-W163 HydrophobicContact CB-CD2 3.77Å; P105-W163 HydrophobicContact CB-CE3 4.1Å; P105-W163 HydrophobicContact CB-CG 3.94Å
106D93.2Very high95.1Very high145 Ų14535.7 Ų35.778%0.77520%0.201SC*.SBendtrans-79.259.6175.4-170.524.8000111.5
107I95.5Very high95Very high15 Ų1538.2 Ų38.28%0.07722%0.217CC..SBendtrans-134.3152.5175.757.5154.8000111.2P105 L109 K156 A159 L160 M215 W218P105-I107 HydrophobicContact CB-CG1 3.94Å; P105-I107 HydrophobicContact CG-CD1 4.1Å; P105-I107 HydrophobicContact CG-CG1 3.58Å; P105-I107 PolarHBondContact O-N 3.31Å; I107-L109 HydrophobicContact CD1-CD1 4.44Å; I107-L109 HydrophobicContact CD1-CD2 3.91Å; I107-L109 HydrophobicContact CD1-CG 4.15Å; I107-L109 HydrophobicContact CG1-CD1 4.27Å; I107-L109 HydrophobicContact CG1-CD2 4.41Å; I107-L109 HydrophobicContact CG1-CG 4.1Å; I107-L109 PolarHBondContact O-N 2.89Å; I107-K156 HydrophobicContact CG2-CB 4.35Å; I107-K156 WeakPolarHBondContact CG2-O 3.38Å; I107-A159 HydrophobicContact CG2-CB 4.07Å; I107-L160 HydrophobicContact CD1-CB 4.31Å; I107-L160 HydrophobicContact CD1-CD1 3.91Å; I107-L160 HydrophobicContact CD1-CD2 4.26Å; I107-L160 HydrophobicContact CD1-CG 4.38Å; I107-L160 HydrophobicContact CG2-CB 4Å; I107-M215 HydrophobicContact CD1-SD 4.14Å; I107-W218 HydrophobicContact CD1-CH2 4.15Å; I107-W218 HydrophobicContact CD1-CZ2 4.16Å
108P96.1Very high94.8Very high25 Ų2540.1 Ų40.116%0.16223%0.227CC..  trans-65.6117.9177.125.1-33.7000111.4K156 L212 I213 A214 M215P108-K156 HydrophobicContact CG-CD 4.42Å; P108-K156 HydrophobicContact CG-CG 4.04Å; P108-L212 HydrophobicContact CG-CB 4.35Å; P108-L212 HydrophobicContact CG-CD2 3.88Å; P108-L212 HydrophobicContact CG-CG 3.95Å; P108-I213 VanDerWaalsContact CB-C 3.49Å; P108-I213 WeakPolarHBondContact CB-O 3.43Å; P108-A214 WeakPolarHBondContact O-CA 3.25Å; P108-M215 PolarHBondContact O-N 2.94Å
109L96.2Very high94.5Very high40 Ų4040.5 Ų40.521%0.20925%0.251CS..BIsolated β-bridgetrans-130.7143.2178-66.9171.3000110.2F100 P105 I107 W218F100-L109 HydrophobicContact CB-CD1 3.91Å; F100-L109 HydrophobicContact CD2-CD1 3.52Å; F100-L109 HydrophobicContact CD2-CD2 4.06Å; F100-L109 HydrophobicContact CD2-CG 4.47Å; F100-L109 HydrophobicContact CE2-CD1 4.22Å; F100-L109 HydrophobicContact CE2-CD2 4.19Å; F100-L109 HydrophobicContact CG-CD1 3.9Å; P105-L109 HydrophobicContact CG-CD1 3.96Å; I107-L109 HydrophobicContact CD1-CD1 4.44Å; I107-L109 HydrophobicContact CD1-CD2 3.91Å; I107-L109 HydrophobicContact CD1-CG 4.15Å; I107-L109 HydrophobicContact CG1-CD1 4.27Å; I107-L109 HydrophobicContact CG1-CD2 4.41Å; I107-L109 HydrophobicContact CG1-CG 4.1Å; I107-L109 PolarHBondContact O-N 2.89Å; L109-W218 HydrophobicContact CD2-CZ2 3.81Å
110A95.2Very high94.3Very high6 Ų642 Ų425%0.0526%0.264CS..  trans-66.9137.3164.800000109.1C112 Q130 L132 A214 I216A110-C112 PolarHBondContact O-N 3.06Å; A110-Q130 HydrophobicContact CB-CB 4.36Å; A110-L132 HydrophobicContact CB-CD1 4.18Å; A110-A214 HydrophobicContact CB-CB 4.31Å; A110-I216 HydrophobicContact CB-CG2 4.39Å
111T95.1Very high93.8Very high47 Ų4745.7 Ų45.729%0.28830%0.295SS..  trans-60.4123.5176.5-64.10000110.2Y113 L129 Q130T111-Y113 HydrophobicContact CG2-CD1 4.14Å; T111-Y113 HydrophobicContact CG2-CE1 3.89Å; T111-L129 CarbonylContact O-C 3.54Å; T111-L129 WeakPolarHBondContact O-CA 3.29Å; T111-Q130 VanDerWaalsContact N-OE1 3.08Å; T111-Q130 PolarHBondContact O-N 3.47Å; T111-Q130 PolarHBondContact OG1-OE1 2.86Å
112C97Very high93.4Very high0 Ų051.8 Ų51.80%033%0.327CS..EExtended strand (participates in β ladder)trans-91.1114.9170.3178.60000110.3R9 Y97 N101 A110 S114 L129R9-C112 WeakPolarHBondContact CD-O 3.26Å; R9-C112 PolarHBondContact NE-O 2.69Å; R9-C112 VanDerWaalsContact NE-O 3.08Å; Y97-C112 HydrophobicContact CD1-CB 3.61Å; Y97-C112 HydrophobicContact CE1-CB 4.32Å; Y97-C112 HydrophobicContact CG-CB 3.93Å; N101-C112 PolarHBondContact ND2-O 2.94Å; A110-C112 PolarHBondContact O-N 3.06Å; C112-S114 PolarHBondContact SG-O 3.06Å; C112-L129 HydrophobicContact CB-CD2 3.77Å
113Y96.3Very high93.1Very high22 Ų2254.4 Ų54.49%0.08633%0.332CS..EExtended strand (participates in β ladder)trans-79.3-39.8177.8-58.5-71.3000111.9L6 R9 I10 I55 T111 V128 Q130L6-Y113 HydrophobicContact CD2-CD1 4.09Å; L6-Y113 HydrophobicContact CD2-CD2 3.91Å; L6-Y113 HydrophobicContact CD2-CE2 4.34Å; L6-Y113 HydrophobicContact CD2-CG 3.74Å; R9-Y113 HydrophobicContact CB-CD1 4.04Å; I10-Y113 HydrophobicContact CD1-CD1 4.3Å; I10-Y113 HydrophobicContact CD1-CE1 3.77Å; I10-Y113 HydrophobicContact CG1-CD1 4.46Å; I10-Y113 HydrophobicContact CG1-CE1 4.21Å; I55-Y113 HydrophobicContact CG2-CD2 4.32Å; I55-Y113 HydrophobicContact CG2-CE2 3.75Å; T111-Y113 HydrophobicContact CG2-CD1 4.14Å; T111-Y113 HydrophobicContact CG2-CE1 3.89Å; Y113-V128 HydrophobicContact CD2-CG1 4.02Å; Y113-V128 PolarHBondContact N-O 2.89Å; Y113-Q130 HydrophobicContact CE2-CB 4.24Å
114S95.8Very high93Very high24 Ų2453.5 Ų53.517%0.16833%0.333CS..EExtended strand (participates in β ladder)trans-155.7144179.6-176.40000110.7C112 I127 V128C112-S114 PolarHBondContact SG-O 3.06Å; S114-I127 CarbonylContact O-C 3.58Å; S114-I127 WeakPolarHBondContact O-CA 2.87Å; S114-V128 PolarHBondContact N-O 3.25Å; S114-V128 PolarHBondContact O-N 3.35Å
115A95.9Very high92.9Very high21 Ų2150.2 Ų50.217%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-132.7116.3170.200000108.3C94 I127C94-A115 HydrophobicContact CB-CB 4.02Å; A115-I127 HydrophobicContact CB-CG1 4.41Å
116I95Very high93Very high21 Ų2150.2 Ų50.211%0.10831%0.311CS..EExtended strand (participates in β ladder)trans-116.4112.4-177.7-52.8-176.2000107.1H90 A120 K123 P124 P125 M126H90-I116 PolarHBondContact NE2-O 3.03Å; I116-A120 HydrophobicContact CG2-CB 3.74Å; I116-K123 HydrophobicContact CD1-CB 4.25Å; I116-K123 HydrophobicContact CD1-CD 4.2Å; I116-K123 HydrophobicContact CG2-CB 3.8Å; I116-P124 WeakPolarHBondContact CG2-O 3.34Å; I116-P125 WeakPolarHBondContact O-CA 3.42Å; I116-M126 HydrophobicContact CB-CG 4.19Å; I116-M126 HydrophobicContact CD1-CG 3.79Å; I116-M126 HydrophobicContact CD1-SD 4.27Å; I116-M126 HydrophobicContact CG1-CG 4.02Å; I116-M126 PolarHBondContact N-O 3Å; I116-M126 PolarHBondContact O-N 3.38Å; I116-M126 VanDerWaalsContact O-N 3.07Å
117P95Very high93.1Very high53 Ų5343.3 Ų43.334%0.34427%0.274SS..  trans-70.7160.3179.730-34.2000111.4N91 A120N91-P117 VanDerWaalsContact OD1-CA 3.31Å; N91-P117 WeakPolarHBondContact OD1-CA 3.09Å; N91-P117 VanDerWaalsContact OD1-CB 3.25Å; N91-P117 WeakPolarHBondContact OD1-CB 3.4Å; P117-A120 HydrophobicContact CG-CB 4.26Å; P117-A120 WeakPolarHBondContact O-CB 3.31Å; P117-A120 PolarHBondContact O-N 3.49Å
118M92.1Very high93.2Very high43 Ų4342.6 Ų42.621%0.21227%0.27CS..THydrogen-bonded Turntrans-61.8140.3163.8-70.9-176.168.300109.8T60 E87 H90 N91 A120 P125T60-M118 HydrophobicContact CG2-CG 4.28Å; T60-M118 HydrophobicContact CG2-SD 3.61Å; E87-M118 WeakPolarHBondContact CA-SD 3.48Å; E87-M118 HydrophobicContact CB-CE 4.24Å; E87-M118 HydrophobicContact CB-SD 3.91Å; E87-M118 HydrophobicContact CG-CB 4.12Å; E87-M118 HydrophobicContact CG-SD 4.37Å; H90-M118 HydrophobicContact CB-SD 4.39Å; N91-M118 PolarHBondContact OD1-N 2.93Å; M118-A120 VanDerWaalsContact C-N 3.32Å; M118-P125 HydrophobicContact CB-CB 4.38Å; M118-P125 HydrophobicContact CG-CB 3.49Å; M118-P125 VanDerWaalsContact CG-CB 3.49Å; M118-P125 HydrophobicContact CG-CG 3.85Å
119G89.1Confident93.2Very high83 Ų8342 Ų4286%0.85627%0.266SS*.THydrogen-bonded Turntrans84-1.5-175.900000114.8A121G119-A121 PolarHBondContact O-N 3.26Å
120A90.3Very high93.2Very high34 Ų3442.4 Ų42.428%0.28127%0.267SS..  trans-62.8131.417000000110.9I116 P117 M118 D122I116-A120 HydrophobicContact CG2-CB 3.74Å; P117-A120 HydrophobicContact CG-CB 4.26Å; P117-A120 WeakPolarHBondContact O-CB 3.31Å; P117-A120 PolarHBondContact O-N 3.49Å; M118-A120 VanDerWaalsContact C-N 3.32Å; A120-D122 PolarHBondContact O-N 3.37Å
121A86.3Confident93.3Very high81 Ų8143 Ų4367%0.66927%0.269SS*.THydrogen-bonded Turntrans-59.7130.8-178.900000111.8G119 K123G119-A121 PolarHBondContact O-N 3.26Å; A121-K123 PolarHBondContact O-N 2.81Å
122D84.7Confident93.3Very high171 Ų17141.2 Ų41.291%0.91426%0.257SS*.THydrogen-bonded Turntrans54.418.6173.5-52.4-46.4000115.8A120A120-D122 PolarHBondContact O-N 3.37Å
123K87Confident93.1Very high132 Ų13244 Ų4457%0.57427%0.27SS*.SBendtrans-133.9130.1179.7-64.3-176.8-174.6-179.70110.6I116 A121I116-K123 HydrophobicContact CD1-CB 4.25Å; I116-K123 HydrophobicContact CD1-CD 4.2Å; I116-K123 HydrophobicContact CG2-CB 3.8Å; A121-K123 PolarHBondContact O-N 2.81Å
124P89.7Confident92.9Very high55 Ų5548.1 Ų48.136%0.35729%0.29SS..  trans-69.8148.7176.129-32.9000110.8M1 I116 M126M1-P124 HydrophobicContact CE-CG 3.39Å; M1-P124 HydrophobicContact CG-CG 4.46Å; M1-P124 HydrophobicContact SD-CG 3.35Å; M1-P124 WeakPolarHBondContact SD-CG 3.5Å; I116-P124 WeakPolarHBondContact CG2-O 3.34Å; P124-M126 HydrophobicContact CG-CE 4.11Å; P124-M126 PolarHBondContact O-N 2.76Å
125P92.4Very high92.8Very high27 Ų2751.6 Ų51.618%0.17530%0.301CS..  trans-64.5125.8178.327.7-35000110.3T59 I116 M118T59-P125 WeakPolarHBondContact CB-O 3.49Å; T59-P125 PolarHBondContact OG1-O 2.83Å; I116-P125 WeakPolarHBondContact O-CA 3.42Å; M118-P125 HydrophobicContact CB-CB 4.38Å; M118-P125 HydrophobicContact CG-CB 3.49Å; M118-P125 VanDerWaalsContact CG-CB 3.49Å; M118-P125 HydrophobicContact CG-CG 3.85Å
126M94.2Very high92.8Very high10 Ų1051 Ų515%0.04930%0.297CS..EExtended strand (participates in β ladder)trans-160.2154.7176.666.6167.867.700112.8M1 A5 V57 K58 I116 P124 V128M1-M126 HydrophobicContact CG-CE 3.35Å; M1-M126 HydrophobicContact CG-SD 4.38Å; M1-M126 HydrophobicContact SD-CE 3.09Å; M1-M126 WeakPolarHBondContact SD-CE 3.32Å; A5-M126 HydrophobicContact CB-SD 4.46Å; V57-M126 HydrophobicContact CG1-CB 4.44Å; K58-M126 CarbonylContact O-C 3.6Å; K58-M126 VanDerWaalsContact O-CA 3.27Å; K58-M126 WeakPolarHBondContact O-CA 3.49Å; I116-M126 HydrophobicContact CB-CG 4.19Å; I116-M126 HydrophobicContact CD1-CG 3.79Å; I116-M126 HydrophobicContact CD1-SD 4.27Å; I116-M126 HydrophobicContact CG1-CG 4.02Å; I116-M126 PolarHBondContact N-O 3Å; I116-M126 PolarHBondContact O-N 3.38Å; I116-M126 VanDerWaalsContact O-N 3.07Å; P124-M126 HydrophobicContact CG-CE 4.11Å; P124-M126 PolarHBondContact O-N 2.76Å; M126-V128 HydrophobicContact CG-CG2 4.33Å; M126-V128 HydrophobicContact SD-CG2 3.66Å
127I96Very high92.8Very high0 Ų054 Ų540%031%0.309CS..EExtended strand (participates in β ladder)trans-124.2128.1168.6-61.1162.8000107.3V57 K58 E93 C94 Y97 S114 A115 L129V57-I127 WeakPolarHBondContact CA-O 3.3Å; K58-I127 HydrophobicContact CB-CB 4.44Å; K58-I127 PolarHBondContact N-O 2.89Å; K58-I127 PolarHBondContact O-N 3.32Å; E93-I127 HydrophobicContact CB-CD1 3.7Å; E93-I127 HydrophobicContact CG-CD1 3.6Å; E93-I127 WeakPolarHBondContact OE2-CD1 3.49Å; C94-I127 VanDerWaalsContact SG-CG1 3.57Å; Y97-I127 HydrophobicContact CD2-CD1 4.49Å; Y97-I127 HydrophobicContact CD2-CG2 3.8Å; Y97-I127 HydrophobicContact CE2-CG2 3.97Å; S114-I127 CarbonylContact O-C 3.58Å; S114-I127 WeakPolarHBondContact O-CA 2.87Å; A115-I127 HydrophobicContact CB-CG1 4.41Å; I127-L129 HydrophobicContact CG2-CD1 4.24Å; I127-L129 HydrophobicContact CG2-CD2 3.77Å; I127-L129 HydrophobicContact CG2-CG 3.84Å
128V97Very high92.7Very high0 Ų055.9 Ų55.90%031%0.313CS..EExtended strand (participates in β ladder)trans-113116.1-178.4-171.50000108.5A5 L6 I55 I56 V57 Y113 S114 M126A5-V128 HydrophobicContact CB-CB 4.49Å; A5-V128 HydrophobicContact CB-CG2 3.82Å; L6-V128 HydrophobicContact CD2-CG1 4.33Å; I55-V128 HydrophobicContact CD1-CG1 3.7Å; I55-V128 HydrophobicContact CG1-CG1 4.47Å; I56-V128 CarbonylContact O-C 3.59Å; I56-V128 WeakPolarHBondContact O-CA 3.37Å; V57-V128 HydrophobicContact CG2-CG1 4.37Å; V57-V128 HydrophobicContact CG2-CG2 4.34Å; Y113-V128 HydrophobicContact CD2-CG1 4.02Å; Y113-V128 PolarHBondContact N-O 2.89Å; S114-V128 PolarHBondContact N-O 3.25Å; S114-V128 PolarHBondContact O-N 3.35Å; M126-V128 HydrophobicContact CG-CG2 4.33Å; M126-V128 HydrophobicContact SD-CG2 3.66Å
129L97.2Very high92.6Very high13 Ų1354.9 Ų54.97%0.06831%0.307CS..EExtended strand (participates in β ladder)trans-120.6156.4-172.8-58.3171000111.3I55 I56 Y97 T111 C112 I127 D131I55-L129 WeakPolarHBondContact CB-O 3.11Å; I56-L129 HydrophobicContact CB-CB 4.3Å; I56-L129 PolarHBondContact N-O 3.12Å; I56-L129 PolarHBondContact O-N 3.42Å; Y97-L129 HydrophobicContact CD1-CD2 4.12Å; Y97-L129 HydrophobicContact CD2-CD2 4.29Å; Y97-L129 HydrophobicContact CE1-CD2 3.66Å; Y97-L129 HydrophobicContact CE2-CD1 4.21Å; Y97-L129 HydrophobicContact CE2-CD2 3.85Å; Y97-L129 HydrophobicContact CG-CD2 4.42Å; T111-L129 CarbonylContact O-C 3.54Å; T111-L129 WeakPolarHBondContact O-CA 3.29Å; C112-L129 HydrophobicContact CB-CD2 3.77Å; I127-L129 HydrophobicContact CG2-CD1 4.24Å; I127-L129 HydrophobicContact CG2-CD2 3.77Å; I127-L129 HydrophobicContact CG2-CG 3.84Å; L129-D131 PolarHBondContact O-N 3.27Å
130Q96.4Very high92.5Very high48 Ų4854 Ų5422%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-56.5130.5165.2179.4178.113.700110.5A110 T111 Y113 L132 Y135A110-Q130 HydrophobicContact CB-CB 4.36Å; T111-Q130 VanDerWaalsContact N-OE1 3.08Å; T111-Q130 PolarHBondContact O-N 3.47Å; T111-Q130 PolarHBondContact OG1-OE1 2.86Å; Y113-Q130 HydrophobicContact CE2-CB 4.24Å; Q130-L132 HydrophobicContact CG-CD2 3.73Å; Q130-L132 HydrophobicContact CG-CG 4.39Å; Q130-Y135 PolarHBondContact NE2-OH 2.73Å
131D96.4Very high92.1Very high18 Ų1856.8 Ų56.810%0.09630%0.296CS..  trans-81.5132.7165.9-166.3-6.7000109.8R37 H54 I56 L129 H133R37-D131 VanDerWaalsContact CD-OD2 3.28Å; R37-D131 WeakPolarHBondContact CD-OD2 3.47Å; R37-D131 WeakPolarHBondContact CG-OD2 3.46Å; R37-D131 IonicContact CZ-OD2 3.65Å; R37-D131 IonicContact NE-OD2 3.85Å; R37-D131 PolarHBondContact NE-OD2 3.36Å; H54-D131 HydrophobicContact CB-CB 3.82Å; H54-D131 WeakPolarHBondContact CB-OD2 3.42Å; H54-D131 WeakPolarHBondContact O-CB 3.34Å; I56-D131 HydrophobicContact CD1-CB 4.04Å; I56-D131 HydrophobicContact CG1-CB 3.99Å; L129-D131 PolarHBondContact O-N 3.27Å; D131-H133 VanDerWaalsContact OD1-CB 3.31Å; D131-H133 WeakPolarHBondContact OD1-CB 3.16Å; D131-H133 IonicContact OD1-CG 2.99Å; D131-H133 PolarHBondContact OD1-N 3.38Å; D131-H133 IonicContact OD1-ND1 3.69Å; D131-H133 PolarHBondContact OD1-ND1 3.11Å; D131-H133 IonicContact OD2-CE1 2.76Å; D131-H133 IonicContact OD2-CG 3.32Å; D131-H133 IonicContact OD2-ND1 3.71Å; D131-H133 PolarHBondContact OD2-ND1 3.37Å
132L96.1Very high92Very high9 Ų962.5 Ų62.55%0.04731%0.306CS..  trans-112.85.9-179.2-58.9175.5000111.6A110 Q130 E134 Y135 G136 I198 I213 A214A110-L132 HydrophobicContact CB-CD1 4.18Å; Q130-L132 HydrophobicContact CG-CD2 3.73Å; Q130-L132 HydrophobicContact CG-CG 4.39Å; L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 3.29Å; L132-Y135 HydrophobicContact CB-CE2 4.45Å; L132-Y135 HydrophobicContact CD2-CE2 3.64Å; L132-Y135 WeakPolarHBondContact CD2-OH 3.49Å; L132-Y135 PolarHBondContact O-N 2.82Å; L132-G136 WeakPolarHBondContact O-CA 3.13Å; L132-G136 PolarHBondContact O-N 3.21Å; L132-I198 HydrophobicContact CB-CD1 4.43Å; L132-I198 HydrophobicContact CB-CG2 4.32Å; L132-I198 HydrophobicContact CD1-CD1 3.9Å; L132-I198 HydrophobicContact CD1-CG2 4.34Å; L132-I213 HydrophobicContact CB-CD1 4.44Å; L132-I213 HydrophobicContact CD1-CD1 4.45Å; L132-A214 HydrophobicContact CD1-CB 3.32Å
133H92.7Very high92Very high59 Ų5961.7 Ų61.727%0.27329%0.294SS..THydrogen-bonded Turntrans-61.1-30.1-168.381.9-92.1000115.1H54 D131 Y135H54-H133 AromaticContact CG-CE1 3.72Å; H54-H133 AromaticContact ND1-CE1 3.65Å; D131-H133 VanDerWaalsContact OD1-CB 3.31Å; D131-H133 WeakPolarHBondContact OD1-CB 3.16Å; D131-H133 IonicContact OD1-CG 2.99Å; D131-H133 PolarHBondContact OD1-N 3.38Å; D131-H133 IonicContact OD1-ND1 3.69Å; D131-H133 PolarHBondContact OD1-ND1 3.11Å; D131-H133 IonicContact OD2-CE1 2.76Å; D131-H133 IonicContact OD2-CG 3.32Å; D131-H133 IonicContact OD2-ND1 3.71Å; D131-H133 PolarHBondContact OD2-ND1 3.37Å; H133-Y135 VanDerWaalsContact C-N 3.29Å; H133-Y135 PolarHBondContact O-N 3.49Å
134E91.6Very high92Very high109 Ų10955.5 Ų55.551%0.50927%0.268SS..THydrogen-bonded Turntrans-64.7-35.5-177.6-69.3-176.5174.300111.5T53 L132T53-E134 PolarHBondContact OG1-OE1 2.76Å; L132-E134 VanDerWaalsContact C-N 3.28Å; L132-E134 PolarHBondContact O-N 3.29Å
135Y94.2Very high92.1Very high97 Ų9753.4 Ų53.438%0.3825%0.253SS..THydrogen-bonded Turntrans-1293.7-173.555-92.2000113.8Q130 L132 H133 S200 T201 I213Q130-Y135 PolarHBondContact NE2-OH 2.73Å; L132-Y135 HydrophobicContact CB-CE2 4.45Å; L132-Y135 HydrophobicContact CD2-CE2 3.64Å; L132-Y135 WeakPolarHBondContact CD2-OH 3.49Å; L132-Y135 PolarHBondContact O-N 2.82Å; H133-Y135 VanDerWaalsContact C-N 3.29Å; H133-Y135 PolarHBondContact O-N 3.49Å; Y135-S200 CarbonylContact O-C 3.5Å; Y135-S200 WeakPolarHBondContact O-CA 3.34Å; Y135-T201 PolarHBondContact O-N 3.26Å; Y135-T201 PolarHBondContact O-OG1 3.05Å; Y135-I213 HydrophobicContact CD2-CD1 3.64Å; Y135-I213 HydrophobicContact CE2-CD1 3.81Å
136G96.3Very high92.1Very high9 Ų955.1 Ų55.19%0.09326%0.264CS..EExtended strand (participates in β ladder)trans-114140.3-178.800000112.4L132 F199L132-G136 WeakPolarHBondContact O-CA 3.13Å; L132-G136 PolarHBondContact O-N 3.21Å; G136-F199 CarbonylContact C-O 3.59Å; G136-F199 VanDerWaalsContact CA-O 3.29Å; G136-F199 WeakPolarHBondContact CA-O 3.37Å
137K94.4Very high91.9Very high84 Ų8458.2 Ų58.237%0.36528%0.283SS..EExtended strand (participates in β ladder)trans-134.4139.2175.6-62.8-65.3178.1-166.60110.5F199 T201 A208K137-F199 PolarHBondContact N-O 2.87Å; K137-F199 PolarHBondContact O-N 2.95Å; K137-T201 HydrophobicContact CG-CG2 4.26Å; K137-T201 WeakPolarHBondContact CG-OG1 3.32Å; K137-A208 HydrophobicContact CB-CB 3.87Å
138H92.2Very high91.8Very high91 Ų9162.8 Ų62.842%0.42131%0.307SS..PPolyproline II helixtrans-80.6142.6164-63.5-73.8000110.2N195 L197 I198H138-N195 PolarHBondContact CE1-O 3.18Å; H138-N195 PolarHBondContact ND1-O 3.48Å; H138-N195 VanDerWaalsContact ND1-O 3.08Å; H138-L197 PolarHBondContact ND1-O 2.86Å; H138-I198 WeakPolarHBondContact CE1-CG1 3.34Å
139Q90.8Very high91.7Very high22 Ų2262.9 Ų62.910%0.10331%0.308CS..PPolyproline II helixtrans-72.6130.9166.6-176.568.9200109.1I141 G144 L145 F199Q139-I141 PolarHBondContact O-N 3.33Å; Q139-I141 VanDerWaalsContact O-N 3.14Å; Q139-G144 WeakPolarHBondContact CG-O 3.11Å; Q139-G144 PolarHBondContact NE2-O 2.71Å; Q139-L145 HydrophobicContact CB-CD2 3.7Å; Q139-L145 HydrophobicContact CG-CD2 3.97Å; Q139-F199 HydrophobicContact CB-CE2 4.38Å
140P86.8Confident91.5Very high66 Ų6663.9 Ų63.943%0.42931%0.313SS..PPolyproline II helixtrans-60.5121178.1-24.834.5000111.7K142 K143 G144P140-K142 PolarHBondContact O-N 2.98Å; P140-K143 HydrophobicContact CB-CB 4.43Å; P140-K143 HydrophobicContact CB-CD 4.37Å; P140-K143 HydrophobicContact CB-CG 4.23Å; P140-K143 HydrophobicContact CG-CD 4.22Å; P140-K143 WeakPolarHBondContact O-CA 3.44Å; P140-K143 WeakPolarHBondContact O-CB 3.28Å; P140-K143 PolarHBondContact O-N 3.2Å; P140-G144 PolarHBondContact O-N 3.22Å; P140-G144 VanDerWaalsContact O-N 3.11Å
141I82.6Confident91.3Very high92 Ų9269 Ų6947%0.47233%0.331SS..THydrogen-bonded Turntrans-49.1-39.4-178.6-66.7158000112.3Q139 K143 G144 S194 N195Q139-I141 PolarHBondContact O-N 3.33Å; Q139-I141 VanDerWaalsContact O-N 3.14Å; I141-K143 VanDerWaalsContact C-N 3.29Å; I141-K143 PolarHBondContact O-N 2.72Å; I141-G144 PolarHBondContact O-N 2.94Å; I141-S194 WeakPolarHBondContact CA-OG 3.48Å; I141-S194 WeakPolarHBondContact CG1-OG 3.03Å; I141-N195 HydrophobicContact CD1-CB 4.17Å
142K82.5Confident91.3Very high201 Ų20169.4 Ų69.487%0.87433%0.333SS*.THydrogen-bonded Turntrans-63.6-32.7179.7-65.3-175.6-177.71780113.2P140P140-K142 PolarHBondContact O-N 2.98Å
143K85.7Confident91.3Very high154 Ų15469 Ų6967%0.6733%0.33SS*.THydrogen-bonded Turntrans-78.5-34.5175.6-67.9-172.8177.1-1770111.1P140 I141 A239P140-K143 HydrophobicContact CB-CB 4.43Å; P140-K143 HydrophobicContact CB-CD 4.37Å; P140-K143 HydrophobicContact CB-CG 4.23Å; P140-K143 HydrophobicContact CG-CD 4.22Å; P140-K143 WeakPolarHBondContact O-CA 3.44Å; P140-K143 WeakPolarHBondContact O-CB 3.28Å; P140-K143 PolarHBondContact O-N 3.2Å; I141-K143 VanDerWaalsContact C-N 3.29Å; I141-K143 PolarHBondContact O-N 2.72Å; K143-A239 WeakPolarHBondContact O-CB 3.45Å
144G87.1Confident91.4Very high2 Ų267.5 Ų67.52%0.02133%0.329CS..  trans71.8169.4-169.100000112Q139 P140 I141 S237Q139-G144 WeakPolarHBondContact CG-O 3.11Å; Q139-G144 PolarHBondContact NE2-O 2.71Å; P140-G144 PolarHBondContact O-N 3.22Å; P140-G144 VanDerWaalsContact O-N 3.11Å; I141-G144 PolarHBondContact O-N 2.94Å; G144-S237 CarbonylContact C-O 3.55Å; G144-S237 WeakPolarHBondContact CA-O 3.17Å
145L91.6Very high91.6Very high10 Ų1067.2 Ų67.25%0.05233%0.331CS..  trans-67.5144.6175.4-63.1180000111Q139 Q149 L150 V153 L197 F199 L233 S237Q139-L145 HydrophobicContact CB-CD2 3.7Å; Q139-L145 HydrophobicContact CG-CD2 3.97Å; L145-Q149 HydrophobicContact CB-CB 4Å; L145-Q149 HydrophobicContact CD2-CB 4.11Å; L145-Q149 HydrophobicContact CG-CB 4.47Å; L145-L150 HydrophobicContact CB-CD2 4.04Å; L145-L150 HydrophobicContact CB-CG 3.87Å; L145-L150 HydrophobicContact CD1-CD2 3.87Å; L145-L150 HydrophobicContact CD1-CG 4.41Å; L145-V153 HydrophobicContact CD1-CG2 4.41Å; L145-L197 HydrophobicContact CD1-CD1 3.87Å; L145-F199 HydrophobicContact CD2-CE2 3.56Å; L145-F199 HydrophobicContact CD2-CZ 3.63Å; L145-L233 HydrophobicContact CD1-CD1 3.79Å; L145-S237 PolarHBondContact N-O 2.77Å
146T91.5Very high91.6Very high64 Ų6465.7 Ų65.739%0.39333%0.326SS..  trans-69.4166.9166.269.70000110.3D148 Q149 L150T146-D148 VanDerWaalsContact C-N 3.3Å; T146-D148 PolarHBondContact O-N 2.85Å; T146-Q149 PolarHBondContact O-N 3.27Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.4Å; T146-Q149 VanDerWaalsContact OG1-CG 3.3Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.2Å; T146-Q149 PolarHBondContact OG1-N 3.24Å; T146-Q149 VanDerWaalsContact OG1-N 3.16Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 3.43Å
147V90.2Very high91.6Very high74 Ų7465.2 Ų65.245%0.44832%0.321SS..Hα-helixtrans-62.4-41.7176.7174.30000110.8Q149 L150 Y151V147-Q149 PolarHBondContact O-N 3.17Å; V147-L150 WeakPolarHBondContact O-CB 3.29Å; V147-L150 PolarHBondContact O-N 2.71Å; V147-L150 VanDerWaalsContact O-N 3.17Å; V147-Y151 HydrophobicContact CG1-CD2 3.67Å; V147-Y151 HydrophobicContact CG1-CE2 3.39Å; V147-Y151 VanDerWaalsContact O-CD2 3.3Å; V147-Y151 WeakPolarHBondContact O-CD2 3.33Å; V147-Y151 PolarHBondContact O-N 2.88Å
148D94.4Very high91.6Very high97 Ų9763.9 Ų63.952%0.51933%0.326SS..Hα-helixtrans-64.8-39.9178-56.5-28.1000112.1T146 L150 Y151 E152 R210T146-D148 VanDerWaalsContact C-N 3.3Å; T146-D148 PolarHBondContact O-N 2.85Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-Y151 PolarHBondContact O-N 2.86Å; D148-E152 WeakPolarHBondContact O-CB 3.21Å; D148-E152 PolarHBondContact O-N 3.4Å; D148-R210 HydrophobicContact CB-CB 3.91Å
149Q95.1Very high91.8Very high2 Ų261.2 Ų61.21%0.00932%0.319CS..Hα-helixtrans-63.9-38.5173.4-75.5172.6-27.500111.8L145 T146 V147 E152 V153 F199 S209L145-Q149 HydrophobicContact CB-CB 4Å; L145-Q149 HydrophobicContact CD2-CB 4.11Å; L145-Q149 HydrophobicContact CG-CB 4.47Å; T146-Q149 PolarHBondContact O-N 3.27Å; T146-Q149 WeakPolarHBondContact OG1-CB 3.4Å; T146-Q149 VanDerWaalsContact OG1-CG 3.3Å; T146-Q149 WeakPolarHBondContact OG1-CG 3.2Å; T146-Q149 PolarHBondContact OG1-N 3.24Å; T146-Q149 VanDerWaalsContact OG1-N 3.16Å; V147-Q149 PolarHBondContact O-N 3.17Å; Q149-E152 PolarHBondContact O-N 3.11Å; Q149-V153 WeakPolarHBondContact O-CG2 3.46Å; Q149-V153 PolarHBondContact O-N 3.24Å; Q149-F199 HydrophobicContact CB-CE1 3.87Å; Q149-F199 HydrophobicContact CB-CZ 3.93Å; Q149-F199 HydrophobicContact CG-CD1 4.04Å; Q149-F199 HydrophobicContact CG-CE1 3.68Å; Q149-F199 HydrophobicContact CG-CZ 3.96Å; Q149-S209 PolarHBondContact NE2-O 2.84Å
150L92.2Very high92Very high33 Ų3360.1 Ų60.117%0.17332%0.315CS..Hα-helixtrans-64.4-43.7176.7-74.6165.3000111.6L145 T146 V147 D148 V153 A154 L233 V238L145-L150 HydrophobicContact CB-CD2 4.04Å; L145-L150 HydrophobicContact CB-CG 3.87Å; L145-L150 HydrophobicContact CD1-CD2 3.87Å; L145-L150 HydrophobicContact CD1-CG 4.41Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 3.43Å; V147-L150 WeakPolarHBondContact O-CB 3.29Å; V147-L150 PolarHBondContact O-N 2.71Å; V147-L150 VanDerWaalsContact O-N 3.17Å; D148-L150 VanDerWaalsContact C-N 3.33Å; L150-V153 PolarHBondContact O-N 3.4Å; L150-A154 VanDerWaalsContact O-CB 3.3Å; L150-A154 WeakPolarHBondContact O-CB 3.49Å; L150-A154 PolarHBondContact O-N 2.76Å; L150-L233 HydrophobicContact CD2-CD1 4.08Å; L150-L233 HydrophobicContact CD2-CD2 4.29Å; L150-L233 HydrophobicContact CD2-CG 3.87Å; L150-V238 HydrophobicContact CD1-CG2 4.12Å; L150-V238 HydrophobicContact CD2-CG2 4.31Å
151Y94.1Very high92.4Very high156 Ų15657.6 Ų57.661%0.61230%0.297SS*.Hα-helixtrans-63.9-44.8175.7-78.1-59.9000111.7V147 D148 V153 A154 D155V147-Y151 HydrophobicContact CG1-CD2 3.67Å; V147-Y151 HydrophobicContact CG1-CE2 3.39Å; V147-Y151 VanDerWaalsContact O-CD2 3.3Å; V147-Y151 WeakPolarHBondContact O-CD2 3.33Å; V147-Y151 PolarHBondContact O-N 2.88Å; D148-Y151 PolarHBondContact O-N 2.86Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 3.13Å; Y151-A154 PolarHBondContact O-N 2.88Å; Y151-D155 PolarHBondContact O-N 2.87Å
152E96Very high93Very high26 Ų2655.6 Ų55.612%0.12129%0.294CS..Hα-helixtrans-55.9-48.8176.2-175.871.3-157.200111.4D148 Q149 A154 D155 K156 R210 L212D148-E152 WeakPolarHBondContact O-CB 3.21Å; D148-E152 PolarHBondContact O-N 3.4Å; Q149-E152 PolarHBondContact O-N 3.11Å; E152-A154 PolarHBondContact O-N 2.83Å; E152-D155 PolarHBondContact O-N 3.48Å; E152-K156 WeakPolarHBondContact O-CG 3.44Å; E152-K156 PolarHBondContact O-N 3.18Å; E152-K156 VanDerWaalsContact O-N 3.11Å; E152-K156 WeakPolarHBondContact OE1-CE 3.42Å; E152-K156 IonicContact OE1-NZ 2.69Å; E152-R210 WeakPolarHBondContact CB-O 3.26Å; E152-R210 VanDerWaalsContact CG-O 3.31Å; E152-R210 WeakPolarHBondContact CG-O 3.47Å; E152-L212 HydrophobicContact CG-CB 3.8Å
153V95.5Very high93.6Very high0 Ų048 Ų480%026%0.26CS..Hα-helixtrans-65.6-41.5179.8178.90000110.9L145 Q149 L150 Y151 D155 K156 L157 L197 F199 L212 L233L145-V153 HydrophobicContact CD1-CG2 4.41Å; Q149-V153 WeakPolarHBondContact O-CG2 3.46Å; Q149-V153 PolarHBondContact O-N 3.24Å; L150-V153 PolarHBondContact O-N 3.4Å; Y151-V153 VanDerWaalsContact C-N 3.33Å; Y151-V153 PolarHBondContact O-N 3.13Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-D155 PolarHBondContact O-N 3.02Å; V153-K156 PolarHBondContact O-N 3.31Å; V153-L157 HydrophobicContact CG1-CD1 4.11Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 VanDerWaalsContact O-CG 3.31Å; V153-L157 WeakPolarHBondContact O-CG 3.3Å; V153-L157 PolarHBondContact O-N 2.9Å; V153-L197 HydrophobicContact CG1-CD1 4.17Å; V153-L197 HydrophobicContact CG1-CD2 4.2Å; V153-L197 HydrophobicContact CG2-CD1 3.74Å; V153-L197 HydrophobicContact CG2-CD2 4.3Å; V153-F199 HydrophobicContact CG2-CE1 4.21Å; V153-F199 HydrophobicContact CG2-CZ 3.92Å; V153-L212 HydrophobicContact CG2-CD1 4.39Å; V153-L212 HydrophobicContact CG2-CD2 4.16Å; V153-L233 HydrophobicContact CB-CD1 4.18Å; V153-L233 HydrophobicContact CB-CD2 4.14Å; V153-L233 HydrophobicContact CG1-CD1 3.68Å; V153-L233 HydrophobicContact CG1-CD2 3.87Å; V153-L233 HydrophobicContact CG1-CG 4.42Å
154A93.7Very high94Very high29 Ų2940.7 Ų40.724%0.2423%0.229CC..Hα-helixtrans-61.5-39.9177.300000112.2L150 Y151 E152 L157 A158L150-A154 VanDerWaalsContact O-CB 3.3Å; L150-A154 WeakPolarHBondContact O-CB 3.49Å; L150-A154 PolarHBondContact O-N 2.76Å; Y151-A154 PolarHBondContact O-N 2.88Å; E152-A154 PolarHBondContact O-N 2.83Å; A154-L157 PolarHBondContact O-N 3.01Å; A154-A158 WeakPolarHBondContact O-CB 3.47Å; A154-A158 PolarHBondContact O-N 3.09Å
155D95.9Very high94.2Very high103 Ų10344.8 Ų44.855%0.55125%0.249SC*.Hα-helixtrans-64.6-41.6176.3-72.3-16.1000111.3Y151 E152 V153 A158 A159Y151-D155 PolarHBondContact O-N 2.87Å; E152-D155 PolarHBondContact O-N 3.48Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-D155 PolarHBondContact O-N 3.02Å; D155-A158 PolarHBondContact O-N 3.07Å; D155-A159 PolarHBondContact O-N 3.28Å
156K96.2Very high94.2Very high64 Ų6449.3 Ų49.328%0.27828%0.277SS..Hα-helixtrans-68.7-35.8175.6-58.6-45.7175.7-174.20112.6I107 P108 E152 V153 A159 L160 L212I107-K156 HydrophobicContact CG2-CB 4.35Å; I107-K156 WeakPolarHBondContact CG2-O 3.38Å; P108-K156 HydrophobicContact CG-CD 4.42Å; P108-K156 HydrophobicContact CG-CG 4.04Å; E152-K156 WeakPolarHBondContact O-CG 3.44Å; E152-K156 PolarHBondContact O-N 3.18Å; E152-K156 VanDerWaalsContact O-N 3.11Å; E152-K156 WeakPolarHBondContact OE1-CE 3.42Å; E152-K156 IonicContact OE1-NZ 2.69Å; V153-K156 PolarHBondContact O-N 3.31Å; K156-A159 PolarHBondContact O-N 2.99Å; K156-L160 PolarHBondContact O-N 2.82Å; K156-L212 HydrophobicContact CB-CD2 4.29Å; K156-L212 HydrophobicContact CG-CD2 4.05Å
157L94.3Very high94.2Very high0 Ų047.8 Ų47.80%027%0.268CS..Hα-helixtrans-64.3-44.3172.4-70.9171000111.6V153 A154 A159 L160 H161 L192 M215 D229 L230 L233V153-L157 HydrophobicContact CG1-CD1 4.11Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 VanDerWaalsContact O-CG 3.31Å; V153-L157 WeakPolarHBondContact O-CG 3.3Å; V153-L157 PolarHBondContact O-N 2.9Å; A154-L157 PolarHBondContact O-N 3.01Å; L157-A159 PolarHBondContact O-N 3.19Å; L157-L160 PolarHBondContact O-N 2.79Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L157-H161 WeakPolarHBondContact O-CB 3.25Å; L157-H161 PolarHBondContact O-N 2.9Å; L157-H161 PolarHBondContact O-ND1 3.35Å; L157-L192 HydrophobicContact CD1-CD1 3.6Å; L157-L192 HydrophobicContact CD2-CD1 3.34Å; L157-L192 HydrophobicContact CG-CD1 4.03Å; L157-M215 HydrophobicContact CD2-CE 3.68Å; L157-D229 HydrophobicContact CD1-CB 4.25Å; L157-D229 HydrophobicContact CD2-CB 4.17Å; L157-L230 HydrophobicContact CD1-CD2 4.25Å; L157-L233 HydrophobicContact CD1-CD2 4.15Å
158A95Very high94.1Very high56 Ų5652.2 Ų52.246%0.46329%0.289SS..Hα-helixtrans-57.5-41175.600000111.3A154 D155 A162A154-A158 WeakPolarHBondContact O-CB 3.47Å; A154-A158 PolarHBondContact O-N 3.09Å; D155-A158 PolarHBondContact O-N 3.07Å; A158-A162 WeakPolarHBondContact O-CB 3.19Å; A158-A162 PolarHBondContact O-N 2.92Å
159A96.4Very high93.7Very high34 Ų3448.4 Ų48.428%0.28127%0.27SS..Hα-helixtrans-63.5-46.7174.400000112.6I107 D155 K156 L157 H161 A162 W163I107-A159 HydrophobicContact CG2-CB 4.07Å; D155-A159 PolarHBondContact O-N 3.28Å; K156-A159 PolarHBondContact O-N 2.99Å; L157-A159 PolarHBondContact O-N 3.19Å; A159-H161 PolarHBondContact O-N 2.76Å; A159-A162 PolarHBondContact O-N 2.95Å; A159-W163 VanDerWaalsContact O-CB 3.3Å; A159-W163 WeakPolarHBondContact O-CB 3.32Å; A159-W163 PolarHBondContact O-N 3.14Å
160L96.1Very high93.2Very high0 Ų049.8 Ų49.80%029%0.285CS..Hα-helixtrans-60.4-45.4176176.463.4000112.2F100 P105 I107 K156 L157 W163 S164 W218F100-L160 HydrophobicContact CE1-CD1 4.39Å; F100-L160 HydrophobicContact CZ-CD1 4.07Å; P105-L160 HydrophobicContact CB-CD1 4.25Å; P105-L160 HydrophobicContact CG-CD1 4.36Å; I107-L160 HydrophobicContact CD1-CB 4.31Å; I107-L160 HydrophobicContact CD1-CD1 3.91Å; I107-L160 HydrophobicContact CD1-CD2 4.26Å; I107-L160 HydrophobicContact CD1-CG 4.38Å; I107-L160 HydrophobicContact CG2-CB 4Å; K156-L160 PolarHBondContact O-N 2.82Å; L157-L160 PolarHBondContact O-N 2.79Å; L157-L160 VanDerWaalsContact O-N 3.15Å; L160-W163 PolarHBondContact O-N 2.85Å; L160-S164 WeakPolarHBondContact O-CB 3.45Å; L160-S164 PolarHBondContact O-N 3.13Å; L160-S164 PolarHBondContact O-OG 3.08Å; L160-W218 HydrophobicContact CD2-CH2 3.64Å; L160-W218 HydrophobicContact CD2-CZ3 3.98Å
161H94.9Very high93.1Very high12 Ų1248.5 Ų48.56%0.05628%0.278CS..Hα-helixtrans-68.3-43.1-178.3-62.5158.5000110.5L157 A159 W163 S164 L165 V186 I187 F226 D229L157-H161 WeakPolarHBondContact O-CB 3.25Å; L157-H161 PolarHBondContact O-N 2.9Å; L157-H161 PolarHBondContact O-ND1 3.35Å; A159-H161 PolarHBondContact O-N 2.76Å; H161-W163 VanDerWaalsContact C-N 3.35Å; H161-W163 PolarHBondContact O-N 2.85Å; H161-S164 WeakPolarHBondContact O-CB 3.35Å; H161-S164 PolarHBondContact O-N 2.92Å; H161-L165 WeakPolarHBondContact O-CG 3.23Å; H161-L165 PolarHBondContact O-N 2.9Å; H161-L165 VanDerWaalsContact O-N 3.13Å; H161-V186 HydrophobicContact CB-CB 4.24Å; H161-V186 HydrophobicContact CB-CG1 4.1Å; H161-V186 HydrophobicContact CB-CG2 4.23Å; H161-V186 VanDerWaalsContact CD2-CG2 3.41Å; H161-V186 WeakPolarHBondContact CD2-CG2 3.41Å; H161-I187 PolarHBondContact CD2-O 3.31Å; H161-F226 HydrophobicContact CB-CB 4.32Å; H161-F226 WeakPolarHBondContact ND1-CB 3.32Å; H161-D229 IonicContact CE1-OD2 3.67Å; H161-D229 IonicContact NE2-OD2 3.7Å; H161-D229 PolarHBondContact NE2-OD2 2.98Å
162A94.7Very high92.7Very high51 Ų5145 Ų4542%0.42126%0.264SS..Hα-helixtrans-61.2-42.617300000112A158 A159 S164 L165 T166A158-A162 WeakPolarHBondContact O-CB 3.19Å; A158-A162 PolarHBondContact O-N 2.92Å; A159-A162 PolarHBondContact O-N 2.95Å; A162-S164 VanDerWaalsContact C-N 3.34Å; A162-S164 PolarHBondContact O-N 2.92Å; A162-L165 PolarHBondContact O-N 2.86Å; A162-T166 WeakPolarHBondContact O-CG2 3.24Å; A162-T166 PolarHBondContact O-N 3.13Å; A162-T166 PolarHBondContact O-OG1 3.25Å
163W95.3Very high92.2Very high41 Ų4151.1 Ų51.116%0.15529%0.293CS..Hα-helixtrans-60.2-44174179.689.6000111.4F100 H103 P105 A159 L160 H161 L165 T166 T167 I187F100-W163 HydrophobicContact CE1-CZ3 4.26Å; H103-W163 HydrophobicContact CB-CH2 4.42Å; H103-W163 HydrophobicContact CB-CZ2 3.89Å; H103-W163 WeakPolarHBondContact O-CZ2 3.48Å; P105-W163 HydrophobicContact CB-CB 4.49Å; P105-W163 HydrophobicContact CB-CD2 3.77Å; P105-W163 HydrophobicContact CB-CE3 4.1Å; P105-W163 HydrophobicContact CB-CG 3.94Å; A159-W163 VanDerWaalsContact O-CB 3.3Å; A159-W163 WeakPolarHBondContact O-CB 3.32Å; A159-W163 PolarHBondContact O-N 3.14Å; L160-W163 PolarHBondContact O-N 2.85Å; H161-W163 VanDerWaalsContact C-N 3.35Å; H161-W163 PolarHBondContact O-N 2.85Å; W163-L165 PolarHBondContact O-N 2.78Å; W163-T166 PolarHBondContact O-N 3.5Å; W163-T166 VanDerWaalsContact O-N 3.11Å; W163-T166 PolarHBondContact O-OG1 2.75Å; W163-T167 HydrophobicContact CD2-CG2 4.12Å; W163-T167 HydrophobicContact CE3-CG2 4.02Å; W163-T167 HydrophobicContact CH2-CG2 4.03Å; W163-T167 HydrophobicContact CZ2-CG2 4.11Å; W163-T167 HydrophobicContact CZ3-CG2 3.97Å; W163-T167 VanDerWaalsContact O-CB 3.26Å; W163-T167 WeakPolarHBondContact O-CB 2.94Å; W163-T167 WeakPolarHBondContact O-CG2 3.42Å; W163-T167 PolarHBondContact O-N 2.78Å; W163-I187 HydrophobicContact CE3-CD1 4.41Å; W163-I187 HydrophobicContact CZ3-CD1 3.67Å
164S93.7Very high91.7Very high1 Ų155.5 Ų55.51%0.00731%0.312CS..Hα-helixtrans-59.7-33.4178.3-57.50000112.8L160 H161 A162 W171 I187L160-S164 WeakPolarHBondContact O-CB 3.45Å; L160-S164 PolarHBondContact O-N 3.13Å; L160-S164 PolarHBondContact O-OG 3.08Å; H161-S164 WeakPolarHBondContact O-CB 3.35Å; H161-S164 PolarHBondContact O-N 2.92Å; A162-S164 VanDerWaalsContact C-N 3.34Å; A162-S164 PolarHBondContact O-N 2.92Å; S164-W171 PolarHBondContact O-NE1 2.88Å; S164-I187 WeakPolarHBondContact OG-CB 3.16Å; S164-I187 WeakPolarHBondContact OG-CG1 3.47Å; S164-I187 PolarHBondContact OG-N 3.32Å; S164-I187 VanDerWaalsContact OG-N 3.13Å
165L91.6Very high91.2Very high87 Ų8754.7 Ų54.746%0.45530%0.303SS..Hα-helixtrans-80.6-22.5179.2-65.6172.2000113.7H161 A162 W163 P184 V186H161-L165 WeakPolarHBondContact O-CG 3.23Å; H161-L165 PolarHBondContact O-N 2.9Å; H161-L165 VanDerWaalsContact O-N 3.13Å; A162-L165 PolarHBondContact O-N 2.86Å; W163-L165 PolarHBondContact O-N 2.78Å; L165-P184 HydrophobicContact CD2-CB 3.73Å; L165-P184 HydrophobicContact CD2-CG 4Å; L165-V186 HydrophobicContact CD1-CG1 4.21Å; L165-V186 HydrophobicContact CD2-CG1 3.74Å; L165-V186 HydrophobicContact CG-CG1 3.74Å
166T92.2Very high90.4Very high105 Ų10552.2 Ų52.264%0.64430%0.297SS*.Hα-helixtrans-113.6-18.4-169.854.90000113.9A162 W163A162-T166 WeakPolarHBondContact O-CG2 3.24Å; A162-T166 PolarHBondContact O-N 3.13Å; A162-T166 PolarHBondContact O-OG1 3.25Å; W163-T166 PolarHBondContact O-N 3.5Å; W163-T166 VanDerWaalsContact O-N 3.11Å; W163-T166 PolarHBondContact O-OG1 2.75Å
167T91Very high89.2Confident33 Ų3354.6 Ų54.620%0.20231%0.312CS..  trans-73.7148177.7-168.90000112.5W163 C169 W171W163-T167 HydrophobicContact CD2-CG2 4.12Å; W163-T167 HydrophobicContact CE3-CG2 4.02Å; W163-T167 HydrophobicContact CH2-CG2 4.03Å; W163-T167 HydrophobicContact CZ2-CG2 4.11Å; W163-T167 HydrophobicContact CZ3-CG2 3.97Å; W163-T167 VanDerWaalsContact O-CB 3.26Å; W163-T167 WeakPolarHBondContact O-CB 2.94Å; W163-T167 WeakPolarHBondContact O-CG2 3.42Å; W163-T167 PolarHBondContact O-N 2.78Å; T167-C169 VanDerWaalsContact CG2-SG 3.53Å; T167-C169 PolarHBondContact OG1-SG 3.47Å; T167-W171 VanDerWaalsContact CG2-CD1 3.46Å
168N87.2Confident87.7Confident166 Ų16655.7 Ų55.789%0.88832%0.324SS*.  trans-104.213.7177.8-66.3-38.4000113G170N168-G170 PolarHBondContact O-N 3.18Å; N168-G170 VanDerWaalsContact O-N 3.11Å
169C86.8Confident85.8Confident17 Ų1762.9 Ų62.912%0.11535%0.345CS..SBendtrans-78.211-167.966.10000116.3L99 H103 T167 W171L99-C169 HydrophobicContact CD1-CB 4.41Å; H103-C169 HydrophobicContact CB-CB 3.96Å; H103-C169 VanDerWaalsContact CG-CB 3.44Å; H103-C169 WeakPolarHBondContact ND1-CB 3.24Å; T167-C169 VanDerWaalsContact CG2-SG 3.53Å; T167-C169 PolarHBondContact OG1-SG 3.47Å; C169-W171 VanDerWaalsContact C-N 3.33Å; C169-W171 PolarHBondContact O-N 3.38Å
170G85.2Confident83.9Confident32 Ų3270.1 Ų70.133%0.3337%0.365SS..  trans57.242.8179.200000113.1N168 R172 E173N168-G170 PolarHBondContact O-N 3.18Å; N168-G170 VanDerWaalsContact O-N 3.11Å; G170-R172 VanDerWaalsContact C-N 3.32Å; G170-E173 WeakPolarHBondContact CA-OE2 3.34Å
171W89.6Confident82Confident5 Ų575.8 Ų75.82%0.01940%0.404CS..  trans-74.4-26-179.466.1-96.2000112.6L99 S164 T167 C169 E173 K174 L175 V186 I187 Q223L99-W171 HydrophobicContact CD1-CB 4.06Å; L99-W171 HydrophobicContact CD2-CB 3.43Å; L99-W171 VanDerWaalsContact CD2-CB 3.43Å; L99-W171 HydrophobicContact CG-CB 4.39Å; S164-W171 PolarHBondContact O-NE1 2.88Å; T167-W171 VanDerWaalsContact CG2-CD1 3.46Å; C169-W171 VanDerWaalsContact C-N 3.33Å; C169-W171 PolarHBondContact O-N 3.38Å; W171-E173 VanDerWaalsContact C-N 3.27Å; W171-E173 PolarHBondContact O-N 2.86Å; W171-K174 WeakPolarHBondContact O-CB 3.18Å; W171-K174 PolarHBondContact O-N 3.21Å; W171-L175 HydrophobicContact CE3-CD1 3.78Å; W171-L175 HydrophobicContact CE3-CG 4.41Å; W171-L175 HydrophobicContact CZ3-CD1 4.06Å; W171-L175 PolarHBondContact O-N 2.87Å; W171-V186 WeakPolarHBondContact CH2-O 3.4Å; W171-I187 HydrophobicContact CB-CD1 4.18Å; W171-I187 HydrophobicContact CD2-CD1 3.9Å; W171-I187 HydrophobicContact CD2-CG1 3.58Å; W171-I187 HydrophobicContact CE3-CD1 3.94Å; W171-I187 HydrophobicContact CE3-CG1 3.3Å; W171-I187 HydrophobicContact CG-CD1 4.02Å; W171-I187 HydrophobicContact CG-CG1 4.24Å; W171-I187 HydrophobicContact CH2-CG1 4.03Å; W171-I187 HydrophobicContact CZ2-CG1 4.27Å; W171-I187 HydrophobicContact CZ3-CB 4.44Å; W171-I187 HydrophobicContact CZ3-CG1 3.5Å; W171-Q223 HydrophobicContact CE3-CG 4.43Å; W171-Q223 HydrophobicContact CH2-CG 4.42Å; W171-Q223 HydrophobicContact CZ3-CB 4.26Å; W171-Q223 HydrophobicContact CZ3-CG 3.71Å
172R86Confident80.7Confident83 Ų8381.4 Ų81.431%0.31344%0.44SS..G310 helixtrans-61.8-37.3-177.7-65.9-178.9-173.8-71.8-4.5111.2G170 K174 D185 Q223G170-R172 VanDerWaalsContact C-N 3.32Å; R172-K174 PolarHBondContact O-N 2.87Å; R172-D185 PolarHBondContact NH1-O 3.21Å; R172-D185 PolarHBondContact NH2-O 3.12Å; R172-Q223 VanDerWaalsContact O-CD 3.22Å; R172-Q223 PolarHBondContact O-NE2 3.47Å
173E85.4Confident79.5Confident155 Ų15583 Ų8372%0.72444%0.439SS*.G310 helixtrans-71.6-14.2179.1-60.276.4-166.900112.9G170 W171G170-E173 WeakPolarHBondContact CA-OE2 3.34Å; W171-E173 VanDerWaalsContact C-N 3.27Å; W171-E173 PolarHBondContact O-N 2.86Å
174K83.6Confident78.8Confident92 Ų9284.6 Ų84.640%0.446%0.455SS..G310 helixtrans-96.6-16.5-176.4-60-176-179.8-173.70114L99 W171 R172L99-K174 HydrophobicContact CB-CD 4.48Å; L99-K174 HydrophobicContact CD1-CD 4.31Å; W171-K174 WeakPolarHBondContact O-CB 3.18Å; W171-K174 PolarHBondContact O-N 3.21Å; R172-K174 PolarHBondContact O-N 2.87Å
175L84.9Confident78.4Confident11 Ų1185.6 Ų85.66%0.05846%0.46CS..SBendtrans-116147.2-173.5-60.1-173.4000111.1V96 W171 I187 Q223V96-L175 HydrophobicContact CG2-CD2 3.66Å; W171-L175 HydrophobicContact CE3-CD1 3.78Å; W171-L175 HydrophobicContact CE3-CG 4.41Å; W171-L175 HydrophobicContact CZ3-CD1 4.06Å; W171-L175 PolarHBondContact O-N 2.87Å; L175-I187 HydrophobicContact CD1-CB 4.48Å; L175-I187 HydrophobicContact CD1-CD1 4.34Å; L175-I187 HydrophobicContact CD1-CG1 3.92Å; L175-I187 HydrophobicContact CD1-CG2 4.14Å; L175-Q223 HydrophobicContact CB-CG 3.88Å; L175-Q223 PolarHBondContact O-NE2 3.47Å
176A79.2Confident78.5Confident52 Ų5281.5 Ų81.543%0.4344%0.439SS..  trans-59.9145.7175.700000111.3H222 Q223A176-H222 HydrophobicContact CB-CB 4.5Å; A176-Q223 WeakPolarHBondContact O-CB 3.36Å; A176-Q223 WeakPolarHBondContact O-CG 3.44Å; A176-Q223 PolarHBondContact O-N 3.3Å
177L69.4Low78.5Confident113 Ų11376.5 Ų76.559%0.59241%0.408SS*.BIsolated β-bridgetrans-76.8125.9174.9-75.9164.5000110.3
178G62.4Low78.6Confident24 Ų2474.9 Ų74.925%0.24740%0.398CS..  trans-82.8-17516700000113.1R180 Q223G178-R180 PolarHBondContact O-N 3.49Å; G178-Q223 WeakPolarHBondContact CA-O 3.4Å; G178-Q223 PolarHBondContact N-O 2.81Å
179F56.9Low78.9Confident207 Ų20767 Ų6791%0.90836%0.356SS*.  trans-68.4125.4177.1-91-86.1000111.7
180R55.9Low78.9Confident186 Ų18666.5 Ų66.570%0.70235%0.354SS*.  trans-86.7147.3173.9-72-174.3171.1-165.7-0.6112.1G178G178-R180 PolarHBondContact O-N 3.49Å
181S57.1Low79Confident118 Ų11867.3 Ų67.383%0.82535%0.351SS*.SBendtrans-175.5-18.4134.752.80000116.5
182V65.6Low78.8Confident131 Ų13167.1 Ų67.179%0.79435%0.35SS*.SBendtrans-141.4-30.5-172.2-174.50000115.6
183M70.3Confident78.6Confident83 Ų8364 Ų6441%0.40934%0.341SS..SBendtrans-108151.7-173.3-72.5-178.8-81.800111.7P225 F226 A227M183-P225 HydrophobicContact CB-CB 4.1Å; M183-P225 HydrophobicContact CE-CB 3.48Å; M183-P225 VanDerWaalsContact CE-CB 3.48Å; M183-P225 HydrophobicContact CE-CG 4.3Å; M183-P225 HydrophobicContact SD-CB 4.12Å; M183-F226 HydrophobicContact CG-CE1 4.45Å; M183-F226 HydrophobicContact SD-CD1 4.11Å; M183-F226 HydrophobicContact SD-CE1 3.59Å; M183-F226 VanDerWaalsContact SD-CE1 3.59Å; M183-F226 HydrophobicContact SD-CZ 4.22Å; M183-A227 HydrophobicContact CE-CB 3.93Å; M183-A227 HydrophobicContact SD-CB 4.14Å
184P81.1Confident78.6Confident76 Ų7656.7 Ų56.749%0.49431%0.307SS..  trans-66.7137.9172.129.8-34.7000110.2L165L165-P184 HydrophobicContact CD2-CB 3.73Å; L165-P184 HydrophobicContact CD2-CG 4Å
185D85.9Confident78.7Confident21 Ų2154.2 Ų54.211%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-74.1133.8179.2-60.6-32.9000110.2R172 Q223 G224R172-D185 PolarHBondContact NH1-O 3.21Å; R172-D185 PolarHBondContact NH2-O 3.12Å; D185-Q223 HydrophobicContact CB-CB 4.21Å; D185-G224 WeakPolarHBondContact CA-O 3.46Å
186V92.1Very high79Confident1 Ų154 Ų541%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-120171.6171.7-60.10000109.5H161 L165 W171 V188 G224 F226H161-V186 HydrophobicContact CB-CB 4.24Å; H161-V186 HydrophobicContact CB-CG1 4.1Å; H161-V186 HydrophobicContact CB-CG2 4.23Å; H161-V186 VanDerWaalsContact CD2-CG2 3.41Å; H161-V186 WeakPolarHBondContact CD2-CG2 3.41Å; L165-V186 HydrophobicContact CD1-CG1 4.21Å; L165-V186 HydrophobicContact CD2-CG1 3.74Å; L165-V186 HydrophobicContact CG-CG1 3.74Å; W171-V186 WeakPolarHBondContact CH2-O 3.4Å; V186-V188 HydrophobicContact CG2-CG2 4.09Å; V186-V188 PolarHBondContact O-N 3.15Å; V186-G224 WeakPolarHBondContact CG2-O 3.39Å; V186-G224 PolarHBondContact N-O 2.96Å; V186-G224 PolarHBondContact O-N 3.05Å; V186-G224 VanDerWaalsContact O-N 3.12Å; V186-F226 HydrophobicContact CG2-CB 3.78Å
187I93.5Very high79.7Confident0 Ų051.5 Ų51.50%028%0.276CS..EExtended strand (participates in β ladder)trans-70.8111.8167.3-63.2-176000107.5L99 F100 H161 W163 S164 W171 L175 W218 C221L99-I187 HydrophobicContact CD2-CD1 3.85Å; F100-I187 HydrophobicContact CE1-CD1 3.97Å; F100-I187 HydrophobicContact CZ-CD1 4.45Å; F100-I187 HydrophobicContact CZ-CG2 4.33Å; H161-I187 PolarHBondContact CD2-O 3.31Å; W163-I187 HydrophobicContact CE3-CD1 4.41Å; W163-I187 HydrophobicContact CZ3-CD1 3.67Å; S164-I187 WeakPolarHBondContact OG-CB 3.16Å; S164-I187 WeakPolarHBondContact OG-CG1 3.47Å; S164-I187 PolarHBondContact OG-N 3.32Å; S164-I187 VanDerWaalsContact OG-N 3.13Å; W171-I187 HydrophobicContact CB-CD1 4.18Å; W171-I187 HydrophobicContact CD2-CD1 3.9Å; W171-I187 HydrophobicContact CD2-CG1 3.58Å; W171-I187 HydrophobicContact CE3-CD1 3.94Å; W171-I187 HydrophobicContact CE3-CG1 3.3Å; W171-I187 HydrophobicContact CG-CD1 4.02Å; W171-I187 HydrophobicContact CG-CG1 4.24Å; W171-I187 HydrophobicContact CH2-CG1 4.03Å; W171-I187 HydrophobicContact CZ2-CG1 4.27Å; W171-I187 HydrophobicContact CZ3-CB 4.44Å; W171-I187 HydrophobicContact CZ3-CG1 3.5Å; L175-I187 HydrophobicContact CD1-CB 4.48Å; L175-I187 HydrophobicContact CD1-CD1 4.34Å; L175-I187 HydrophobicContact CD1-CG1 3.92Å; L175-I187 HydrophobicContact CD1-CG2 4.14Å; I187-W218 HydrophobicContact CG2-CZ3 4.23Å; I187-C221 WeakPolarHBondContact CG2-SG 3.43Å
188V93Very high81Confident0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-95.8126.4174.6172.10000107.6V186 G190 C221 H222 G224 P225 E228 D229V186-V188 HydrophobicContact CG2-CG2 4.09Å; V186-V188 PolarHBondContact O-N 3.15Å; V188-G190 VanDerWaalsContact C-N 3.34Å; V188-C221 VanDerWaalsContact O-CA 3.25Å; V188-C221 WeakPolarHBondContact O-CA 3.34Å; V188-C221 PolarHBondContact O-SG 2.85Å; V188-H222 PolarHBondContact N-O 3.38Å; V188-H222 PolarHBondContact O-N 3.35Å; V188-G224 VanDerWaalsContact CG2-C 3.48Å; V188-G224 WeakPolarHBondContact CG2-O 3.35Å; V188-P225 WeakPolarHBondContact CG2-O 3.2Å; V188-E228 HydrophobicContact CG1-CB 4.1Å; V188-E228 HydrophobicContact CG1-CG 4.04Å; V188-D229 WeakPolarHBondContact CA-OD2 3.12Å; V188-D229 WeakPolarHBondContact CG1-OD1 3.49Å
189N92.9Very high82.6Confident0 Ų045.8 Ų45.80%024%0.241CC..  trans-65.4-42.7173.7171.5-89.7000110.7D191 L192 D217 W218 D229N189-D191 VanDerWaalsContact C-N 3.31Å; N189-D191 PolarHBondContact O-N 3.03Å; N189-D191 PolarHBondContact OD1-N 3.41Å; N189-D191 VanDerWaalsContact OD1-N 3.07Å; N189-L192 HydrophobicContact CB-CD1 4.26Å; N189-L192 HydrophobicContact CB-CD2 3.74Å; N189-L192 HydrophobicContact CB-CG 3.85Å; N189-L192 VanDerWaalsContact OD1-CD2 3.32Å; N189-L192 WeakPolarHBondContact OD1-CD2 3.37Å; N189-L192 WeakPolarHBondContact OD1-CG 3.49Å; N189-D217 PolarHBondContact ND2-O 2.99Å; N189-W218 HydrophobicContact CB-CE3 4.03Å; N189-W218 HydrophobicContact CB-CH2 4.15Å; N189-W218 HydrophobicContact CB-CZ3 3.66Å; N189-D229 PolarHBondContact N-OD1 3.43Å; N189-D229 VanDerWaalsContact N-OD1 3.09Å; N189-D229 PolarHBondContact N-OD2 2.74Å
190G87.8Confident84.6Confident7 Ų737.3 Ų37.37%0.07221%0.207CC..SBendtrans88.1-22.7172.200000114.8V188 I220 D229 N232V188-G190 VanDerWaalsContact C-N 3.34Å; G190-I220 VanDerWaalsContact C-CD1 3.48Å; G190-I220 WeakPolarHBondContact O-CD1 3.48Å; G190-D229 PolarHBondContact N-OD1 3.26Å; G190-N232 PolarHBondContact O-ND2 3.47Å
191D87.3Confident86.5Confident48 Ų4830.2 Ų30.226%0.25718%0.184SC..  trans-130.352.2179.4-164.919.4000112.9N189 C193 N196 I220N189-D191 VanDerWaalsContact C-N 3.31Å; N189-D191 PolarHBondContact O-N 3.03Å; N189-D191 PolarHBondContact OD1-N 3.41Å; N189-D191 VanDerWaalsContact OD1-N 3.07Å; D191-C193 PolarHBondContact O-N 3.34Å; D191-C193 PolarHBondContact OD1-SG 2.89Å; D191-N196 VanDerWaalsContact CG-ND2 3.3Å; D191-N196 PolarHBondContact O-ND2 3.42Å; D191-N196 PolarHBondContact OD2-ND2 2.99Å; D191-I220 HydrophobicContact CB-CD1 3.71Å; D191-I220 HydrophobicContact CB-CG1 3.95Å
192L84.7Confident88.3Confident1 Ų127.1 Ų27.11%0.00516%0.158CC..  trans-77.159.4-177.3-66.5175000114.3L157 N189 L197 M215 D229 N232 S237L157-L192 HydrophobicContact CD1-CD1 3.6Å; L157-L192 HydrophobicContact CD2-CD1 3.34Å; L157-L192 HydrophobicContact CG-CD1 4.03Å; N189-L192 HydrophobicContact CB-CD1 4.26Å; N189-L192 HydrophobicContact CB-CD2 3.74Å; N189-L192 HydrophobicContact CB-CG 3.85Å; N189-L192 VanDerWaalsContact OD1-CD2 3.32Å; N189-L192 WeakPolarHBondContact OD1-CD2 3.37Å; N189-L192 WeakPolarHBondContact OD1-CG 3.49Å; L192-L197 HydrophobicContact CD2-CD2 4.35Å; L192-M215 HydrophobicContact CD2-CE 3.47Å; L192-M215 VanDerWaalsContact CD2-CE 3.47Å; L192-D229 HydrophobicContact CD1-CB 3.5Å; L192-D229 VanDerWaalsContact CD1-CB 3.5Å; L192-D229 WeakPolarHBondContact CD1-OD1 3.42Å; L192-N232 HydrophobicContact CB-CB 4.46Å; L192-S237 PolarHBondContact O-OG 3.27Å
193C82.7Confident89.6Confident19 Ų1930.4 Ų30.413%0.12817%0.165CC..  trans-87.4152.5169.4-61.90000110.8D191 N195 N196 C236 S237D191-C193 PolarHBondContact O-N 3.34Å; D191-C193 PolarHBondContact OD1-SG 2.89Å; C193-N195 WeakPolarHBondContact CB-OD1 3.41Å; C193-N195 PolarHBondContact O-N 3.11Å; C193-N196 PolarHBondContact O-N 3.35Å; C193-C236 HydrophobicContact CB-CB 4.22Å; C193-C236 WeakPolarHBondContact SG-CB 3.42Å; C193-C236 VanDerWaalsContact SG-SG 3.66Å; C193-S237 WeakPolarHBondContact CA-OG 3.44Å
194S84Confident90.7Very high1 Ų136 Ų361%0.00719%0.187CC..THydrogen-bonded Turntrans-57.6-17-179.351.80000115.7I141 S237I141-S194 WeakPolarHBondContact CA-OG 3.48Å; I141-S194 WeakPolarHBondContact CG1-OG 3.03Å; S194-S237 PolarHBondContact N-OG 2.96Å; S194-S237 VanDerWaalsContact N-OG 3.14Å
195N86.1Confident91.3Very high40 Ų4036.8 Ų36.821%0.21419%0.191CC..THydrogen-bonded Turntrans-76.3-20.6172.452.2-70.3000113.8H138 I141 C193 L197H138-N195 PolarHBondContact CE1-O 3.18Å; H138-N195 PolarHBondContact ND1-O 3.48Å; H138-N195 VanDerWaalsContact ND1-O 3.08Å; I141-N195 HydrophobicContact CD1-CB 4.17Å; C193-N195 WeakPolarHBondContact CB-OD1 3.41Å; C193-N195 PolarHBondContact O-N 3.11Å; N195-L197 VanDerWaalsContact C-N 3.33Å
196N91.1Very high91.6Very high6 Ų637.8 Ų37.83%0.03221%0.206CC..SBendtrans-97.97.1178.4-63.5-14.8000111.8D191 C193 I216 D217D191-N196 VanDerWaalsContact CG-ND2 3.3Å; D191-N196 PolarHBondContact O-ND2 3.42Å; D191-N196 PolarHBondContact OD2-ND2 2.99Å; C193-N196 PolarHBondContact O-N 3.35Å; N196-I216 HydrophobicContact CB-CG1 4.41Å; N196-I216 WeakPolarHBondContact O-CG1 3.22Å; N196-I216 PolarHBondContact O-N 3.37Å; N196-D217 HydrophobicContact CB-CB 4.31Å
197L94.1Very high91.6Very high0 Ų040.6 Ų40.60%023%0.226CC..EExtended strand (participates in β ladder)trans-116.9124.7177.7-59.4173.2000109H138 L145 V153 L192 N195 F199 L212 M215 L233H138-L197 PolarHBondContact ND1-O 2.86Å; L145-L197 HydrophobicContact CD1-CD1 3.87Å; V153-L197 HydrophobicContact CG1-CD1 4.17Å; V153-L197 HydrophobicContact CG1-CD2 4.2Å; V153-L197 HydrophobicContact CG2-CD1 3.74Å; V153-L197 HydrophobicContact CG2-CD2 4.3Å; L192-L197 HydrophobicContact CD2-CD2 4.35Å; N195-L197 VanDerWaalsContact C-N 3.33Å; L197-F199 HydrophobicContact CB-CE2 3.8Å; L197-F199 HydrophobicContact CB-CZ 4.19Å; L197-F199 HydrophobicContact CD1-CZ 4.4Å; L197-L212 HydrophobicContact CB-CD1 3.88Å; L197-L212 HydrophobicContact CD2-CD1 3.94Å; L197-L212 HydrophobicContact CD2-CD2 4.39Å; L197-L212 HydrophobicContact CG-CD1 4.46Å; L197-M215 HydrophobicContact CD2-CG 4.06Å; L197-L233 HydrophobicContact CD1-CD1 4.38Å
198I95.8Very high91.7Very high17 Ų1741.3 Ų41.39%0.08723%0.231CC..EExtended strand (participates in β ladder)trans-110.9119175.4-58.3174000107.6L132 H138 L212 I213 A214 I216L132-I198 HydrophobicContact CB-CD1 4.43Å; L132-I198 HydrophobicContact CB-CG2 4.32Å; L132-I198 HydrophobicContact CD1-CD1 3.9Å; L132-I198 HydrophobicContact CD1-CG2 4.34Å; H138-I198 WeakPolarHBondContact CE1-CG1 3.34Å; I198-L212 WeakPolarHBondContact O-CD1 3.16Å; I198-I213 HydrophobicContact CB-CG1 4.23Å; I198-I213 HydrophobicContact CG2-CD1 3.82Å; I198-I213 HydrophobicContact CG2-CG1 3.73Å; I198-I213 VanDerWaalsContact O-CG1 3.23Å; I198-I213 WeakPolarHBondContact O-CG1 3.4Å; I198-I213 PolarHBondContact O-N 3.49Å; I198-A214 HydrophobicContact CB-CB 4.3Å; I198-A214 HydrophobicContact CD1-CB 4.39Å; I198-A214 PolarHBondContact N-O 3.27Å; I198-A214 PolarHBondContact O-N 3.41Å; I198-I216 HydrophobicContact CD1-CD1 4.1Å; I198-I216 HydrophobicContact CD1-CG2 3.93Å; I198-I216 HydrophobicContact CG1-CD1 4.49Å
199F97.4Very high91.8Very high0 Ų042.3 Ų42.30%024%0.238CC..EExtended strand (participates in β ladder)trans-99.4157174-61.1-88.9000110.1G136 K137 Q139 L145 Q149 V153 L197 A208 S209 N211 L212G136-F199 CarbonylContact C-O 3.59Å; G136-F199 VanDerWaalsContact CA-O 3.29Å; G136-F199 WeakPolarHBondContact CA-O 3.37Å; K137-F199 PolarHBondContact N-O 2.87Å; K137-F199 PolarHBondContact O-N 2.95Å; Q139-F199 HydrophobicContact CB-CE2 4.38Å; L145-F199 HydrophobicContact CD2-CE2 3.56Å; L145-F199 HydrophobicContact CD2-CZ 3.63Å; Q149-F199 HydrophobicContact CB-CE1 3.87Å; Q149-F199 HydrophobicContact CB-CZ 3.93Å; Q149-F199 HydrophobicContact CG-CD1 4.04Å; Q149-F199 HydrophobicContact CG-CE1 3.68Å; Q149-F199 HydrophobicContact CG-CZ 3.96Å; V153-F199 HydrophobicContact CG2-CE1 4.21Å; V153-F199 HydrophobicContact CG2-CZ 3.92Å; L197-F199 HydrophobicContact CB-CE2 3.8Å; L197-F199 HydrophobicContact CB-CZ 4.19Å; L197-F199 HydrophobicContact CD1-CZ 4.4Å; F199-A208 HydrophobicContact CB-CB 4.09Å; F199-A208 HydrophobicContact CD2-CB 4.44Å; F199-S209 WeakPolarHBondContact CB-O 3.29Å; F199-S209 WeakPolarHBondContact CD1-O 3.18Å; F199-N211 CarbonylContact C-O 3.45Å; F199-N211 WeakPolarHBondContact CA-O 3.31Å; F199-L212 HydrophobicContact CD1-CB 4.26Å; F199-L212 HydrophobicContact CD1-CD1 4.21Å; F199-L212 HydrophobicContact CE1-CB 4.16Å; F199-L212 HydrophobicContact CE1-CD1 3.91Å; F199-L212 HydrophobicContact CE2-CD1 4.41Å; F199-L212 HydrophobicContact CZ-CD1 4.02Å
200S97.8Very high92Very high28 Ų2849.6 Ų49.620%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-64.4150.8171.277.70000111Y135 S209 N211Y135-S200 CarbonylContact O-C 3.5Å; Y135-S200 WeakPolarHBondContact O-CA 3.34Å; S200-S209 VanDerWaalsContact O-CB 3.24Å; S200-S209 WeakPolarHBondContact O-CB 3.49Å; S200-S209 PolarHBondContact O-N 2.83Å; S200-S209 PolarHBondContact O-OG 3.14Å; S200-S209 PolarHBondContact OG-OG 3.14Å; S200-N211 PolarHBondContact N-O 2.99Å
201T97Very high92.4Very high37 Ų3753 Ų5323%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-68.6131170.6-53.30000109.9Y135 K137 E203Y135-T201 PolarHBondContact O-N 3.26Å; Y135-T201 PolarHBondContact O-OG1 3.05Å; K137-T201 HydrophobicContact CG-CG2 4.26Å; K137-T201 WeakPolarHBondContact CG-OG1 3.32Å; T201-E203 PolarHBondContact O-N 3.38Å
202D95.2Very high92.9Very high53 Ų5350.9 Ų50.928%0.28327%0.271SS..PPolyproline II helixtrans-74.9118.5167.7176.4-80.3000109.4K204 T205 G206 S207D202-K204 PolarHBondContact O-N 2.8Å; D202-K204 PolarHBondContact OD1-N 3.32Å; D202-K204 VanDerWaalsContact OD1-N 3.07Å; D202-T205 WeakPolarHBondContact CB-OG1 3.39Å; D202-T205 VanDerWaalsContact CG-OG1 3.25Å; D202-T205 PolarHBondContact O-N 2.75Å; D202-T205 WeakPolarHBondContact OD1-CB 3.46Å; D202-T205 WeakPolarHBondContact OD1-CG2 3.48Å; D202-T205 PolarHBondContact OD1-N 2.81Å; D202-T205 PolarHBondContact OD1-OG1 3.07Å; D202-G206 VanDerWaalsContact O-CA 3.3Å; D202-G206 WeakPolarHBondContact O-CA 3.31Å; D202-G206 PolarHBondContact O-N 2.75Å; D202-S207 PolarHBondContact N-O 3.03Å
203E91.8Very high93.5Very high200 Ų20052.6 Ų52.694%0.93528%0.28SS*.THydrogen-bonded Turntrans-63-26.9-173.1-64.3-178.5175.500113.6T201T201-E203 PolarHBondContact O-N 3.38Å
204K93.7Very high94.2Very high201 Ų20151.7 Ų51.787%0.87427%0.274SS*.THydrogen-bonded Turntrans-83-35.9-177.4-65.5-179.6179.7177.60112.2D202D202-K204 PolarHBondContact O-N 2.8Å; D202-K204 PolarHBondContact OD1-N 3.32Å; D202-K204 VanDerWaalsContact OD1-N 3.07Å
205T92.5Very high94.8Very high93 Ų9351.6 Ų51.657%0.57127%0.273SS*.THydrogen-bonded Turntrans-110.5-15.7-171.162.90000113.6D202 S207D202-T205 WeakPolarHBondContact CB-OG1 3.39Å; D202-T205 VanDerWaalsContact CG-OG1 3.25Å; D202-T205 PolarHBondContact O-N 2.75Å; D202-T205 WeakPolarHBondContact OD1-CB 3.46Å; D202-T205 WeakPolarHBondContact OD1-CG2 3.48Å; D202-T205 PolarHBondContact OD1-N 2.81Å; D202-T205 PolarHBondContact OD1-OG1 3.07Å; T205-S207 PolarHBondContact O-N 3.21Å; T205-S207 PolarHBondContact OG1-N 2.78Å; T205-S207 PolarHBondContact OG1-OG 3.36Å
206G92.6Very high95.1Very high42 Ų4251.5 Ų51.543%0.43327%0.272SS..SBendtrans66.97.4-171.400000114.1D202D202-G206 VanDerWaalsContact O-CA 3.3Å; D202-G206 WeakPolarHBondContact O-CA 3.31Å; D202-G206 PolarHBondContact O-N 2.75Å
207S92.9Very high95.2Very high60 Ų6052.1 Ų52.142%0.4228%0.275SS..SBendtrans-93.7173.9-176.774.60000112.1D202 T205 S209D202-S207 PolarHBondContact N-O 3.03Å; T205-S207 PolarHBondContact O-N 3.21Å; T205-S207 PolarHBondContact OG1-N 2.78Å; T205-S207 PolarHBondContact OG1-OG 3.36Å; S207-S209 PolarHBondContact O-N 3.11Å
208A94.7Very high95.2Very high14 Ų1452.1 Ų52.112%0.11628%0.275CS..EExtended strand (participates in β ladder)trans-68.2124.6174.200000110.2K137 F199K137-A208 HydrophobicContact CB-CB 3.87Å; F199-A208 HydrophobicContact CB-CB 4.09Å; F199-A208 HydrophobicContact CD2-CB 4.44Å
209S96.8Very high95Very high21 Ų2152.4 Ų52.415%0.14728%0.277CS..EExtended strand (participates in β ladder)trans-76.6-173.2175.188.60000111.3Q149 F199 S200 S207 N211Q149-S209 PolarHBondContact NE2-O 2.84Å; F199-S209 WeakPolarHBondContact CB-O 3.29Å; F199-S209 WeakPolarHBondContact CD1-O 3.18Å; S200-S209 VanDerWaalsContact O-CB 3.24Å; S200-S209 WeakPolarHBondContact O-CB 3.49Å; S200-S209 PolarHBondContact O-N 2.83Å; S200-S209 PolarHBondContact O-OG 3.14Å; S200-S209 PolarHBondContact OG-OG 3.14Å; S207-S209 PolarHBondContact O-N 3.11Å; S209-N211 PolarHBondContact OG-N 3.2Å
210R95.3Very high94.7Very high154 Ų15455.4 Ų55.458%0.58129%0.292SS*.EExtended strand (participates in β ladder)trans-78.8-19.7170.373.5-178.8-176.1104.7-1.7114.1D148 E152 L212D148-R210 HydrophobicContact CB-CB 3.91Å; E152-R210 WeakPolarHBondContact CB-O 3.26Å; E152-R210 VanDerWaalsContact CG-O 3.31Å; E152-R210 WeakPolarHBondContact CG-O 3.47Å; R210-L212 PolarHBondContact O-N 2.98Å
211N97.2Very high94.5Very high78 Ų7854.1 Ų54.142%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-81.2113.2-169.5-178.333.2000111.1F199 S200 S209F199-N211 CarbonylContact C-O 3.45Å; F199-N211 WeakPolarHBondContact CA-O 3.31Å; S200-N211 PolarHBondContact N-O 2.99Å; S209-N211 PolarHBondContact OG-N 3.2Å
212L97.6Very high94.2Very high4 Ų454 Ų542%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-78.8123.8178.8-173.871.5000110P108 E152 V153 K156 L197 I198 F199 R210 M215P108-L212 HydrophobicContact CG-CB 4.35Å; P108-L212 HydrophobicContact CG-CD2 3.88Å; P108-L212 HydrophobicContact CG-CG 3.95Å; E152-L212 HydrophobicContact CG-CB 3.8Å; V153-L212 HydrophobicContact CG2-CD1 4.39Å; V153-L212 HydrophobicContact CG2-CD2 4.16Å; K156-L212 HydrophobicContact CB-CD2 4.29Å; K156-L212 HydrophobicContact CG-CD2 4.05Å; L197-L212 HydrophobicContact CB-CD1 3.88Å; L197-L212 HydrophobicContact CD2-CD1 3.94Å; L197-L212 HydrophobicContact CD2-CD2 4.39Å; L197-L212 HydrophobicContact CG-CD1 4.46Å; I198-L212 WeakPolarHBondContact O-CD1 3.16Å; F199-L212 HydrophobicContact CD1-CB 4.26Å; F199-L212 HydrophobicContact CD1-CD1 4.21Å; F199-L212 HydrophobicContact CE1-CB 4.16Å; F199-L212 HydrophobicContact CE1-CD1 3.91Å; F199-L212 HydrophobicContact CE2-CD1 4.41Å; F199-L212 HydrophobicContact CZ-CD1 4.02Å; R210-L212 PolarHBondContact O-N 2.98Å; L212-M215 HydrophobicContact CD2-CG 3.85Å; L212-M215 HydrophobicContact CD2-SD 4.37Å
213I97.7Very high94.1Very high36 Ų3652 Ų5219%0.18527%0.269CS..EExtended strand (participates in β ladder)trans-112.5-17.8-177.364166.1000113.8P108 L132 Y135 I198P108-I213 VanDerWaalsContact CB-C 3.49Å; P108-I213 WeakPolarHBondContact CB-O 3.43Å; L132-I213 HydrophobicContact CB-CD1 4.44Å; L132-I213 HydrophobicContact CD1-CD1 4.45Å; Y135-I213 HydrophobicContact CD2-CD1 3.64Å; Y135-I213 HydrophobicContact CE2-CD1 3.81Å; I198-I213 HydrophobicContact CB-CG1 4.23Å; I198-I213 HydrophobicContact CG2-CD1 3.82Å; I198-I213 HydrophobicContact CG2-CG1 3.73Å; I198-I213 VanDerWaalsContact O-CG1 3.23Å; I198-I213 WeakPolarHBondContact O-CG1 3.4Å; I198-I213 PolarHBondContact O-N 3.49Å
214A97.2Very high94Very high0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-157.9141.3166.500000112.8P108 A110 L132 I198 I216P108-A214 WeakPolarHBondContact O-CA 3.25Å; A110-A214 HydrophobicContact CB-CB 4.31Å; L132-A214 HydrophobicContact CD1-CB 3.32Å; I198-A214 HydrophobicContact CB-CB 4.3Å; I198-A214 HydrophobicContact CD1-CB 4.39Å; I198-A214 PolarHBondContact N-O 3.27Å; I198-A214 PolarHBondContact O-N 3.41Å; A214-I216 HydrophobicContact CB-CG2 4.17Å
215M95.5Very high93.8Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-96.2124.6156.9-61.2172.170.600108.4I107 P108 L157 L192 L197 L212 W218I107-M215 HydrophobicContact CD1-SD 4.14Å; P108-M215 PolarHBondContact O-N 2.94Å; L157-M215 HydrophobicContact CD2-CE 3.68Å; L192-M215 HydrophobicContact CD2-CE 3.47Å; L192-M215 VanDerWaalsContact CD2-CE 3.47Å; L197-M215 HydrophobicContact CD2-CG 4.06Å; L212-M215 HydrophobicContact CD2-CG 3.85Å; L212-M215 HydrophobicContact CD2-SD 4.37Å; M215-W218 HydrophobicContact CB-CZ2 3.84Å; M215-W218 HydrophobicContact CE-CH2 4.14Å; M215-W218 HydrophobicContact CE-CZ2 4.31Å; M215-W218 PolarHBondContact O-NE1 3.44Å
216I93.9Very high93.7Very high38 Ų3833.9 Ų33.920%0.19518%0.182CC..  trans-120.1176.2-179.964.2165.3000110A110 N196 I198 A214A110-I216 HydrophobicContact CB-CG2 4.39Å; N196-I216 HydrophobicContact CB-CG1 4.41Å; N196-I216 WeakPolarHBondContact O-CG1 3.22Å; N196-I216 PolarHBondContact O-N 3.37Å; I198-I216 HydrophobicContact CD1-CD1 4.1Å; I198-I216 HydrophobicContact CD1-CG2 3.93Å; I198-I216 HydrophobicContact CG1-CD1 4.49Å; A214-I216 HydrophobicContact CB-CG2 4.17Å
217D91.9Very high93.5Very high18 Ų1833.1 Ų33.110%0.09617%0.172CC..  trans58.785.1177.9-156.3-8.9000113.2K58 N189 N196 Q219K58-D217 IonicContact NZ-OD1 3.26Å; K58-D217 PolarHBondContact NZ-OD1 2.81Å; K58-D217 IonicContact NZ-OD2 3.8Å; N189-D217 PolarHBondContact ND2-O 2.99Å; N196-D217 HydrophobicContact CB-CB 4.31Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.36Å; D217-Q219 VanDerWaalsContact OD1-CG 3.28Å; D217-Q219 WeakPolarHBondContact OD1-CG 3.3Å; D217-Q219 PolarHBondContact OD1-NE2 3.35Å; D217-Q219 PolarHBondContact OD2-NE2 2.88Å
218W94.7Very high93.4Very high0 Ų033.4 Ų33.40%017%0.166CC..  trans-104.722.1-179.4-63.985.9000112E93 V96 Y97 F100 I107 L109 L160 I187 N189 M215 I220 C221E93-W218 HydrophobicContact CG-CB 4.13Å; V96-W218 HydrophobicContact CB-CB 4.09Å; V96-W218 HydrophobicContact CG1-CB 3.81Å; V96-W218 HydrophobicContact CG1-CD2 3.88Å; V96-W218 HydrophobicContact CG1-CE3 3.98Å; V96-W218 HydrophobicContact CG1-CG 3.82Å; V96-W218 HydrophobicContact CG2-CB 4.31Å; Y97-W218 AromaticContact CZ-CD1 3.84Å; F100-W218 HydrophobicContact CE2-CD2 4.08Å; F100-W218 AromaticContact CE2-CE2 3.9Å; F100-W218 HydrophobicContact CE2-CE3 4.17Å; F100-W218 AromaticContact CE2-CH2 3.92Å; F100-W218 HydrophobicContact CE2-CH2 3.92Å; F100-W218 AromaticContact CE2-CZ2 3.82Å; F100-W218 HydrophobicContact CE2-CZ2 3.82Å; F100-W218 HydrophobicContact CE2-CZ3 4.09Å; F100-W218 HydrophobicContact CZ-CE3 4.45Å; F100-W218 HydrophobicContact CZ-CH2 4.15Å; F100-W218 HydrophobicContact CZ-CZ3 4.12Å; I107-W218 HydrophobicContact CD1-CH2 4.15Å; I107-W218 HydrophobicContact CD1-CZ2 4.16Å; L109-W218 HydrophobicContact CD2-CZ2 3.81Å; L160-W218 HydrophobicContact CD2-CH2 3.64Å; L160-W218 HydrophobicContact CD2-CZ3 3.98Å; I187-W218 HydrophobicContact CG2-CZ3 4.23Å; N189-W218 HydrophobicContact CB-CE3 4.03Å; N189-W218 HydrophobicContact CB-CH2 4.15Å; N189-W218 HydrophobicContact CB-CZ3 3.66Å; M215-W218 HydrophobicContact CB-CZ2 3.84Å; M215-W218 HydrophobicContact CE-CH2 4.14Å; M215-W218 HydrophobicContact CE-CZ2 4.31Å; M215-W218 PolarHBondContact O-NE1 3.44Å; W218-I220 VanDerWaalsContact C-N 3.3Å; W218-I220 PolarHBondContact O-N 3.12Å; W218-C221 HydrophobicContact CB-CB 4.26Å; W218-C221 HydrophobicContact CE3-CB 4.2Å; W218-C221 WeakPolarHBondContact O-CB 3.44Å; W218-C221 PolarHBondContact O-N 2.89Å
219Q91.9Very high93.3Very high24 Ų2432.8 Ų32.811%0.11216%0.161CC..THydrogen-bonded Turntrans-69.7-23.6-170.182.2-176.2-89.100114.2F89 E93 D217F89-Q219 WeakPolarHBondContact CA-O 3.47Å; F89-Q219 HydrophobicContact CB-CB 4.04Å; F89-Q219 HydrophobicContact CB-CG 4.3Å; F89-Q219 WeakPolarHBondContact CD1-O 3.43Å; E93-Q219 HydrophobicContact CB-CB 4.33Å; D217-Q219 WeakPolarHBondContact OD1-CB 3.36Å; D217-Q219 VanDerWaalsContact OD1-CG 3.28Å; D217-Q219 WeakPolarHBondContact OD1-CG 3.3Å; D217-Q219 PolarHBondContact OD1-NE2 3.35Å; D217-Q219 PolarHBondContact OD2-NE2 2.88Å
220I90Very high92.9Very high62 Ų6234.6 Ų34.632%0.31817%0.169SC..THydrogen-bonded Turntrans-110.319.417567.5171.4000113F89 G190 D191 W218 H222F89-I220 HydrophobicContact CD1-CG2 3.91Å; F89-I220 HydrophobicContact CE1-CG2 3.76Å; F89-I220 HydrophobicContact CZ-CG2 4.32Å; G190-I220 VanDerWaalsContact C-CD1 3.48Å; G190-I220 WeakPolarHBondContact O-CD1 3.48Å; D191-I220 HydrophobicContact CB-CD1 3.71Å; D191-I220 HydrophobicContact CB-CG1 3.95Å; W218-I220 VanDerWaalsContact C-N 3.3Å; W218-I220 PolarHBondContact O-N 3.12Å; I220-H222 PolarHBondContact O-ND1 3.43Å
221C93.6Very high92.6Very high2 Ų230.8 Ų30.81%0.01417%0.165CC..  trans-62.2135.5177.9-178.90000111.2T92 V96 I187 V188 W218T92-C221 HydrophobicContact CG2-CB 4.1Å; T92-C221 WeakPolarHBondContact CG2-O 3.46Å; V96-C221 HydrophobicContact CG2-CB 3.65Å; V96-C221 WeakPolarHBondContact CG2-SG 3.31Å; I187-C221 WeakPolarHBondContact CG2-SG 3.43Å; V188-C221 VanDerWaalsContact O-CA 3.25Å; V188-C221 WeakPolarHBondContact O-CA 3.34Å; V188-C221 PolarHBondContact O-SG 2.85Å; W218-C221 HydrophobicContact CB-CB 4.26Å; W218-C221 HydrophobicContact CE3-CB 4.2Å; W218-C221 WeakPolarHBondContact O-CB 3.44Å; W218-C221 PolarHBondContact O-N 2.89Å
222H92.7Very high92.1Very high33 Ų3329 Ų2915%0.15316%0.155CC..EExtended strand (participates in β ladder)trans-155.1171.6-176.662.3-81.1000112.1A176 V188 I220 G224 E228A176-H222 HydrophobicContact CB-CB 4.5Å; V188-H222 PolarHBondContact N-O 3.38Å; V188-H222 PolarHBondContact O-N 3.35Å; I220-H222 PolarHBondContact O-ND1 3.43Å; H222-G224 PolarHBondContact O-N 2.82Å; H222-E228 IonicContact CE1-OE1 3.18Å; H222-E228 PolarHBondContact CE1-OE1 3.37Å; H222-E228 IonicContact CE1-OE2 3.88Å; H222-E228 IonicContact NE2-OE1 3.48Å; H222-E228 PolarHBondContact NE2-OE1 3.03Å; H222-E228 IonicContact NE2-OE2 3.35Å; H222-E228 PolarHBondContact NE2-OE2 2.96Å
223Q91.5Very high91.6Very high13 Ų1329 Ų296%0.06116%0.155CC..EExtended strand (participates in β ladder)trans-77116.6170.2-54.5-178.367.200108.7W171 R172 L175 A176 G178 D185W171-Q223 HydrophobicContact CE3-CG 4.43Å; W171-Q223 HydrophobicContact CH2-CG 4.42Å; W171-Q223 HydrophobicContact CZ3-CB 4.26Å; W171-Q223 HydrophobicContact CZ3-CG 3.71Å; R172-Q223 VanDerWaalsContact O-CD 3.22Å; R172-Q223 PolarHBondContact O-NE2 3.47Å; L175-Q223 HydrophobicContact CB-CG 3.88Å; L175-Q223 PolarHBondContact O-NE2 3.47Å; A176-Q223 WeakPolarHBondContact O-CB 3.36Å; A176-Q223 WeakPolarHBondContact O-CG 3.44Å; A176-Q223 PolarHBondContact O-N 3.3Å; G178-Q223 WeakPolarHBondContact CA-O 3.4Å; G178-Q223 PolarHBondContact N-O 2.81Å; D185-Q223 HydrophobicContact CB-CB 4.21Å
224G90.4Very high91Very high0 Ų032.3 Ų32.30%017%0.173CC..EExtended strand (participates in β ladder)trans-160.5179.5-178.600000113.6D185 V186 V188 H222D185-G224 WeakPolarHBondContact CA-O 3.46Å; V186-G224 WeakPolarHBondContact CG2-O 3.39Å; V186-G224 PolarHBondContact N-O 2.96Å; V186-G224 PolarHBondContact O-N 3.05Å; V186-G224 VanDerWaalsContact O-N 3.12Å; V188-G224 VanDerWaalsContact CG2-C 3.48Å; V188-G224 WeakPolarHBondContact CG2-O 3.35Å; H222-G224 PolarHBondContact O-N 2.82Å
225P89.7Confident90.2Very high27 Ų2735.8 Ų35.818%0.17520%0.197CC..EExtended strand (participates in β ladder)trans-72.1137.6177.830.1-33.5000110.7M183 V188 A227 E228M183-P225 HydrophobicContact CB-CB 4.1Å; M183-P225 HydrophobicContact CE-CB 3.48Å; M183-P225 VanDerWaalsContact CE-CB 3.48Å; M183-P225 HydrophobicContact CE-CG 4.3Å; M183-P225 HydrophobicContact SD-CB 4.12Å; V188-P225 WeakPolarHBondContact CG2-O 3.2Å; P225-A227 PolarHBondContact O-N 2.93Å; P225-E228 HydrophobicContact CG-CB 4.35Å; P225-E228 WeakPolarHBondContact O-CB 3.46Å; P225-E228 PolarHBondContact O-N 3.04Å
226F90Very high89.5Confident85 Ų8537.8 Ų37.837%0.37321%0.21SC..Hα-helixtrans-52.8-28.8175.276.5-91.1000113.3H161 M183 V186 E228 D229 L230H161-F226 HydrophobicContact CB-CB 4.32Å; H161-F226 WeakPolarHBondContact ND1-CB 3.32Å; M183-F226 HydrophobicContact CG-CE1 4.45Å; M183-F226 HydrophobicContact SD-CD1 4.11Å; M183-F226 HydrophobicContact SD-CE1 3.59Å; M183-F226 VanDerWaalsContact SD-CE1 3.59Å; M183-F226 HydrophobicContact SD-CZ 4.22Å; V186-F226 HydrophobicContact CG2-CB 3.78Å; F226-E228 PolarHBondContact O-N 3.46Å; F226-D229 PolarHBondContact O-N 2.88Å; F226-L230 HydrophobicContact CD2-CD1 3.78Å; F226-L230 HydrophobicContact CE2-CD1 3.85Å; F226-L230 PolarHBondContact O-N 3.4Å
227A89.3Confident88.9Confident27 Ų2736 Ų3622%0.22320%0.201CC..Hα-helixtrans-60.8-27.5178.600000112.8M183 P225 L230 C231M183-A227 HydrophobicContact CE-CB 3.93Å; M183-A227 HydrophobicContact SD-CB 4.14Å; P225-A227 PolarHBondContact O-N 2.93Å; A227-L230 PolarHBondContact O-N 2.86Å; A227-C231 WeakPolarHBondContact O-CB 3.28Å; A227-C231 PolarHBondContact O-N 3.1Å; A227-C231 PolarHBondContact O-SG 3.5Å
228E90Very high88.4Confident66 Ų6636.1 Ų36.131%0.30820%0.203SC..Hα-helixtrans-63.2-49.5179.3-177.6168156.700111.8V188 H222 P225 F226 L230 C231 N232V188-E228 HydrophobicContact CG1-CB 4.1Å; V188-E228 HydrophobicContact CG1-CG 4.04Å; H222-E228 IonicContact CE1-OE1 3.18Å; H222-E228 PolarHBondContact CE1-OE1 3.37Å; H222-E228 IonicContact CE1-OE2 3.88Å; H222-E228 IonicContact NE2-OE1 3.48Å; H222-E228 PolarHBondContact NE2-OE1 3.03Å; H222-E228 IonicContact NE2-OE2 3.35Å; H222-E228 PolarHBondContact NE2-OE2 2.96Å; P225-E228 HydrophobicContact CG-CB 4.35Å; P225-E228 WeakPolarHBondContact O-CB 3.46Å; P225-E228 PolarHBondContact O-N 3.04Å; F226-E228 PolarHBondContact O-N 3.46Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3.43Å; E228-C231 WeakPolarHBondContact O-CB 3.3Å; E228-C231 PolarHBondContact O-N 2.81Å; E228-C231 VanDerWaalsContact O-N 3.12Å; E228-N232 WeakPolarHBondContact O-CB 3.33Å; E228-N232 PolarHBondContact O-N 3.2Å; E228-N232 PolarHBondContact O-ND2 3.47Å
229D92.2Very high87.7Confident0 Ų036.7 Ų36.70%021%0.207CC..Hα-helixtrans-60.4-39.5176.8-87.8-19.6000111.7L157 H161 V188 N189 G190 L192 F226 N232 L233L157-D229 HydrophobicContact CD1-CB 4.25Å; L157-D229 HydrophobicContact CD2-CB 4.17Å; H161-D229 IonicContact CE1-OD2 3.67Å; H161-D229 IonicContact NE2-OD2 3.7Å; H161-D229 PolarHBondContact NE2-OD2 2.98Å; V188-D229 WeakPolarHBondContact CA-OD2 3.12Å; V188-D229 WeakPolarHBondContact CG1-OD1 3.49Å; N189-D229 PolarHBondContact N-OD1 3.43Å; N189-D229 VanDerWaalsContact N-OD1 3.09Å; N189-D229 PolarHBondContact N-OD2 2.74Å; G190-D229 PolarHBondContact N-OD1 3.26Å; L192-D229 HydrophobicContact CD1-CB 3.5Å; L192-D229 VanDerWaalsContact CD1-CB 3.5Å; L192-D229 WeakPolarHBondContact CD1-OD1 3.42Å; F226-D229 PolarHBondContact O-N 2.88Å; D229-N232 PolarHBondContact O-N 3.48Å; D229-L233 WeakPolarHBondContact O-CB 3.3Å; D229-L233 PolarHBondContact O-N 3.41Å
230L89.2Confident87.1Confident60 Ų6041.5 Ų41.531%0.31423%0.228SC..Hα-helixtrans-65.6-41.7175.1-63.3179000111.8L157 F226 A227 E228 L233 L234L157-L230 HydrophobicContact CD1-CD2 4.25Å; F226-L230 HydrophobicContact CD2-CD1 3.78Å; F226-L230 HydrophobicContact CE2-CD1 3.85Å; F226-L230 PolarHBondContact O-N 3.4Å; A227-L230 PolarHBondContact O-N 2.86Å; E228-L230 VanDerWaalsContact C-N 3.29Å; E228-L230 PolarHBondContact O-N 3.43Å; L230-L233 PolarHBondContact O-N 3.24Å; L230-L234 WeakPolarHBondContact O-CG 3.19Å; L230-L234 PolarHBondContact O-N 3.38Å
231C87.6Confident86.5Confident74 Ų7446 Ų4650%0.524%0.241SC..Hα-helixtrans-63.3-42.9175.3-78.20000111.5A227 E228 L234 S235A227-C231 WeakPolarHBondContact O-CB 3.28Å; A227-C231 PolarHBondContact O-N 3.1Å; A227-C231 PolarHBondContact O-SG 3.5Å; E228-C231 WeakPolarHBondContact O-CB 3.3Å; E228-C231 PolarHBondContact O-N 2.81Å; E228-C231 VanDerWaalsContact O-N 3.12Å; C231-L234 PolarHBondContact O-N 2.96Å; C231-S235 WeakPolarHBondContact O-CB 3.47Å; C231-S235 PolarHBondContact O-N 3.17Å; C231-S235 PolarHBondContact O-OG 3.16Å
232N86.9Confident85.8Confident39 Ų3949.4 Ų49.421%0.20926%0.256CS..Hα-helixtrans-64.3-45.3176.9-74.9-25.4000111.2G190 L192 E228 D229 L234 S235 C236G190-N232 PolarHBondContact O-ND2 3.47Å; L192-N232 HydrophobicContact CB-CB 4.46Å; E228-N232 WeakPolarHBondContact O-CB 3.33Å; E228-N232 PolarHBondContact O-N 3.2Å; E228-N232 PolarHBondContact O-ND2 3.47Å; D229-N232 PolarHBondContact O-N 3.48Å; N232-L234 VanDerWaalsContact C-N 3.34Å; N232-L234 PolarHBondContact O-N 3.46Å; N232-S235 PolarHBondContact O-N 3.22Å; N232-C236 VanDerWaalsContact O-CB 3.28Å; N232-C236 WeakPolarHBondContact O-CB 3.35Å; N232-C236 PolarHBondContact O-N 3.36Å
233L88.5Confident85.1Confident5 Ų551.4 Ų51.43%0.02626%0.262CS..Hα-helixtrans-57-47.4176-175.863.8000111.5L145 L150 V153 L157 L197 D229 L230 S237L145-L233 HydrophobicContact CD1-CD1 3.79Å; L150-L233 HydrophobicContact CD2-CD1 4.08Å; L150-L233 HydrophobicContact CD2-CD2 4.29Å; L150-L233 HydrophobicContact CD2-CG 3.87Å; V153-L233 HydrophobicContact CB-CD1 4.18Å; V153-L233 HydrophobicContact CB-CD2 4.14Å; V153-L233 HydrophobicContact CG1-CD1 3.68Å; V153-L233 HydrophobicContact CG1-CD2 3.87Å; V153-L233 HydrophobicContact CG1-CG 4.42Å; L157-L233 HydrophobicContact CD1-CD2 4.15Å; L197-L233 HydrophobicContact CD1-CD1 4.38Å; D229-L233 WeakPolarHBondContact O-CB 3.3Å; D229-L233 PolarHBondContact O-N 3.41Å; L230-L233 PolarHBondContact O-N 3.24Å; L233-S237 WeakPolarHBondContact O-CB 2.79Å; L233-S237 PolarHBondContact O-N 3.48Å; L233-S237 VanDerWaalsContact O-N 3.1Å
234L83.9Confident84.5Confident106 Ų10659.1 Ų59.156%0.55529%0.291SS*.Hα-helixtrans-71.5-34179.8-65.9174.9000112.8L230 C231 N232 V238L230-L234 WeakPolarHBondContact O-CG 3.19Å; L230-L234 PolarHBondContact O-N 3.38Å; C231-L234 PolarHBondContact O-N 2.96Å; N232-L234 VanDerWaalsContact C-N 3.34Å; N232-L234 PolarHBondContact O-N 3.46Å; L234-V238 HydrophobicContact CD2-CG2 4.4Å; L234-V238 WeakPolarHBondContact O-CB 3.3Å; L234-V238 VanDerWaalsContact O-CG2 3.28Å; L234-V238 WeakPolarHBondContact O-CG2 3.38Å
235S82.1Confident84.1Confident72 Ų7265 Ų6550%0.50332%0.316SS..Hα-helixtrans-85.4-29.6-174.8-59.20000113.8C231 N232 R243C231-S235 WeakPolarHBondContact O-CB 3.47Å; C231-S235 PolarHBondContact O-N 3.17Å; C231-S235 PolarHBondContact O-OG 3.16Å; N232-S235 PolarHBondContact O-N 3.22Å; S235-R243 WeakPolarHBondContact O-CD 3.33Å; S235-R243 PolarHBondContact O-NE 3.48Å; S235-R243 PolarHBondContact O-NH1 2.67Å
236C79.4Confident83.4Confident42 Ų4269.5 Ų69.528%0.28433%0.33SS..Hα-helixtrans-105.1-33.4-175.8-65.70000112.6C193 N232 R243C193-C236 HydrophobicContact CB-CB 4.22Å; C193-C236 WeakPolarHBondContact SG-CB 3.42Å; C193-C236 VanDerWaalsContact SG-SG 3.66Å; N232-C236 VanDerWaalsContact O-CB 3.28Å; N232-C236 WeakPolarHBondContact O-CB 3.35Å; N232-C236 PolarHBondContact O-N 3.36Å; C236-R243 PolarHBondContact O-NH1 2.85Å
237S81.5Confident82.6Confident0 Ų068.7 Ų68.70%033%0.332CS..SBendtrans-101.3-7.8-167.8-59.70000113.9G144 L145 L192 C193 S194 L233G144-S237 CarbonylContact C-O 3.55Å; G144-S237 WeakPolarHBondContact CA-O 3.17Å; L145-S237 PolarHBondContact N-O 2.77Å; L192-S237 PolarHBondContact O-OG 3.27Å; C193-S237 WeakPolarHBondContact CA-OG 3.44Å; S194-S237 PolarHBondContact N-OG 2.96Å; S194-S237 VanDerWaalsContact N-OG 3.14Å; L233-S237 WeakPolarHBondContact O-CB 2.79Å; L233-S237 PolarHBondContact O-N 3.48Å; L233-S237 VanDerWaalsContact O-N 3.1Å
238V81.7Confident81.9Confident21 Ų2174.9 Ų74.913%0.12735%0.354CS..SBendtrans-88.1142.7173.1177.70000111.2L150 L234 K240 K242 R243L150-V238 HydrophobicContact CD1-CG2 4.12Å; L150-V238 HydrophobicContact CD2-CG2 4.31Å; L234-V238 HydrophobicContact CD2-CG2 4.4Å; L234-V238 WeakPolarHBondContact O-CB 3.3Å; L234-V238 VanDerWaalsContact O-CG2 3.28Å; L234-V238 WeakPolarHBondContact O-CG2 3.38Å; V238-K240 PolarHBondContact O-N 3.19Å; V238-K242 HydrophobicContact CG1-CB 3.51Å; V238-K242 HydrophobicContact CG1-CD 3.89Å; V238-K242 HydrophobicContact CG1-CG 4.33Å; V238-R243 HydrophobicContact CB-CG 4Å; V238-R243 HydrophobicContact CG1-CG 4.17Å; V238-R243 WeakPolarHBondContact O-CD 3.28Å; V238-R243 WeakPolarHBondContact O-CG 3.45Å; V238-R243 PolarHBondContact O-NH1 3.36Å
239A79.2Confident81.2Confident12 Ų1275.5 Ų75.510%0.09936%0.364CS..  trans-49.313917900000113.8K143 W241 K242 R243K143-A239 WeakPolarHBondContact O-CB 3.45Å; A239-W241 VanDerWaalsContact C-N 3.27Å; A239-W241 PolarHBondContact O-N 3.09Å; A239-K242 WeakPolarHBondContact O-CB 3.39Å; A239-K242 PolarHBondContact O-N 3.08Å; A239-R243 PolarHBondContact O-N 2.77Å; A239-R243 VanDerWaalsContact O-N 3.08Å
240K79.9Confident80.1Confident125 Ų12580.4 Ų80.454%0.54339%0.394SS..Hα-helixtrans-48.8-41.3-175.3-176.9179.5-179.7177.60114.4V238 R244V238-K240 PolarHBondContact O-N 3.19Å; K240-R244 VanDerWaalsContact CE-CZ 3.46Å; K240-R244 VanDerWaalsContact CE-NH2 3.28Å; K240-R244 WeakPolarHBondContact O-CG 3.44Å; K240-R244 PolarHBondContact O-N 3.07Å; K240-R244 VanDerWaalsContact O-N 3.09Å
241W77.6Confident79Confident156 Ų15685.2 Ų85.259%0.59141%0.412SS*.Hα-helixtrans-71-38.1-179.275.3-96.8000112.3A239 R244 K245A239-W241 VanDerWaalsContact C-N 3.27Å; A239-W241 PolarHBondContact O-N 3.09Å; W241-R244 PolarHBondContact O-N 3.02Å; W241-K245 HydrophobicContact CE3-CD 4.46Å; W241-K245 HydrophobicContact CZ3-CD 3.96Å; W241-K245 WeakPolarHBondContact O-CB 3.2Å; W241-K245 PolarHBondContact O-N 3.11Å
242K78.5Confident77.9Confident74 Ų7489.7 Ų89.732%0.32242%0.423SS..Hα-helixtrans-63.1-46.5175.5-77-174179.8-179.30109.5V238 A239 R244 K245 Y246V238-K242 HydrophobicContact CG1-CB 3.51Å; V238-K242 HydrophobicContact CG1-CD 3.89Å; V238-K242 HydrophobicContact CG1-CG 4.33Å; A239-K242 WeakPolarHBondContact O-CB 3.39Å; A239-K242 PolarHBondContact O-N 3.08Å; K242-R244 PolarHBondContact O-N 2.96Å; K242-K245 PolarHBondContact O-N 3.37Å; K242-Y246 HydrophobicContact CB-CD2 4.46Å; K242-Y246 WeakPolarHBondContact O-CD2 3.1Å; K242-Y246 PolarHBondContact O-N 3.2Å
243R78Confident76.2Confident76 Ų76102.5 Ų102.529%0.28747%0.469SS..Hα-helixtrans-53.4-57174.9-60.4-165.9-60.8-128.422.1110.9S235 C236 V238 A239 K245 Y246 T247S235-R243 WeakPolarHBondContact O-CD 3.33Å; S235-R243 PolarHBondContact O-NE 3.48Å; S235-R243 PolarHBondContact O-NH1 2.67Å; C236-R243 PolarHBondContact O-NH1 2.85Å; V238-R243 HydrophobicContact CB-CG 4Å; V238-R243 HydrophobicContact CG1-CG 4.17Å; V238-R243 WeakPolarHBondContact O-CD 3.28Å; V238-R243 WeakPolarHBondContact O-CG 3.45Å; V238-R243 PolarHBondContact O-NH1 3.36Å; A239-R243 PolarHBondContact O-N 2.77Å; A239-R243 VanDerWaalsContact O-N 3.08Å; R243-K245 VanDerWaalsContact C-N 3.28Å; R243-K245 PolarHBondContact O-N 2.83Å; R243-Y246 PolarHBondContact O-N 3.46Å; R243-Y246 VanDerWaalsContact O-N 3.11Å; R243-T247 PolarHBondContact O-N 3.43Å; R243-T247 PolarHBondContact O-OG1 3.22Å
244R80Confident75.6Confident175 Ų175107.4 Ų107.466%0.6649%0.491SS*.Hα-helixtrans-56.6-38.2179-73178.9173-159.2-6.5113.8K240 W241 K242K240-R244 VanDerWaalsContact CE-CZ 3.46Å; K240-R244 VanDerWaalsContact CE-NH2 3.28Å; K240-R244 WeakPolarHBondContact O-CG 3.44Å; K240-R244 PolarHBondContact O-N 3.07Å; K240-R244 VanDerWaalsContact O-N 3.09Å; W241-R244 PolarHBondContact O-N 3.02Å; K242-R244 PolarHBondContact O-N 2.96Å
245K80.9Confident75.2Confident123 Ų123107.4 Ų107.454%0.53549%0.487SS..Hα-helixtrans-66.1-41.6178.7-176.7177.1178.6-178.30111.8W241 K242 R243 P249W241-K245 HydrophobicContact CE3-CD 4.46Å; W241-K245 HydrophobicContact CZ3-CD 3.96Å; W241-K245 WeakPolarHBondContact O-CB 3.2Å; W241-K245 PolarHBondContact O-N 3.11Å; K242-K245 PolarHBondContact O-N 3.37Å; R243-K245 VanDerWaalsContact C-N 3.28Å; R243-K245 PolarHBondContact O-N 2.83Å; K245-P249 WeakPolarHBondContact O-CD 3.32Å
246Y75Confident74.8Confident122 Ų122109.4 Ų109.448%0.47849%0.486SS..Hα-helixtrans-98.2-13.8-172.7-63.6-66.7000114.7K242 R243 K248 P249 V250K242-Y246 HydrophobicContact CB-CD2 4.46Å; K242-Y246 WeakPolarHBondContact O-CD2 3.1Å; K242-Y246 PolarHBondContact O-N 3.2Å; R243-Y246 PolarHBondContact O-N 3.46Å; R243-Y246 VanDerWaalsContact O-N 3.11Å; Y246-K248 PolarHBondContact O-N 2.92Å; Y246-P249 WeakPolarHBondContact O-CD 3.44Å; Y246-V250 WeakPolarHBondContact O-CB 3.13Å; Y246-V250 WeakPolarHBondContact O-CG2 3.34Å; Y246-V250 PolarHBondContact O-N 2.98Å
247T73.8Confident74.5Confident67 Ų67113.4 Ų113.441%0.41150%0.498SS..Hα-helixtrans-51.4-54.3176.2-620000111.7R243 V250 F251R243-T247 PolarHBondContact O-N 3.43Å; R243-T247 PolarHBondContact O-OG1 3.22Å; T247-V250 PolarHBondContact O-N 2.9Å; T247-F251 HydrophobicContact CG2-CD2 3.81Å; T247-F251 HydrophobicContact CG2-CE2 3.85Å; T247-F251 WeakPolarHBondContact O-CD2 3.34Å; T247-F251 PolarHBondContact O-N 3.21Å
248K75.2Confident74.1Confident157 Ų157120.4 Ų120.468%0.68353%0.53SS*.Hα-helixtrans-65.1-47.1-176.2-69.3-175.3-179.9-176.40113Y246 V250 F251 K252Y246-K248 PolarHBondContact O-N 2.92Å; K248-V250 VanDerWaalsContact C-N 3.31Å; K248-V250 PolarHBondContact O-N 3.34Å; K248-F251 PolarHBondContact O-N 3.04Å; K248-K252 WeakPolarHBondContact O-CB 3.41Å; K248-K252 WeakPolarHBondContact O-CG 3.41Å; K248-K252 PolarHBondContact O-N 3.41Å
249P73.8Confident73.6Confident80 Ų80127.1 Ų127.152%0.51956%0.556SS.*Hα-helixtrans-58-37.6174-2834.3000114.6K245 Y246 F251K245-P249 WeakPolarHBondContact O-CD 3.32Å; Y246-P249 WeakPolarHBondContact O-CD 3.44Å; P249-F251 VanDerWaalsContact C-N 3.35Å
250V68.9Low73.2Confident102 Ų102135.3 Ų135.362%0.61859%0.589SS**Hα-helixtrans-67.6-35.8180170.20000111.8Y246 T247 K248Y246-V250 WeakPolarHBondContact O-CB 3.13Å; Y246-V250 WeakPolarHBondContact O-CG2 3.34Å; Y246-V250 PolarHBondContact O-N 2.98Å; T247-V250 PolarHBondContact O-N 2.9Å; K248-V250 VanDerWaalsContact C-N 3.31Å; K248-V250 PolarHBondContact O-N 3.34Å
251F66.3Low72.7Confident162 Ų162136.1 Ų136.171%0.71159%0.593SS**Hα-helixtrans-91.8-16.2179.9-68.2-63.6000114.8T247 K248 P249 R253T247-F251 HydrophobicContact CG2-CD2 3.81Å; T247-F251 HydrophobicContact CG2-CE2 3.85Å; T247-F251 WeakPolarHBondContact O-CD2 3.34Å; T247-F251 PolarHBondContact O-N 3.21Å; K248-F251 PolarHBondContact O-N 3.04Å; P249-F251 VanDerWaalsContact C-N 3.35Å; F251-R253 VanDerWaalsContact C-N 3.26Å; F251-R253 PolarHBondContact O-N 3.35Å
252K65.7Low72.3Confident167 Ų167134.4 Ų134.473%0.72659%0.593SS**  trans-75.484.6168.2-78.1-174.6175.1-165.80108.4K248K248-K252 WeakPolarHBondContact O-CB 3.41Å; K248-K252 WeakPolarHBondContact O-CG 3.41Å; K248-K252 PolarHBondContact O-N 3.41Å
253R51.1Low71.7Confident308 Ų308139.9 Ų139.9100%1.16262%0.617SS**  trans-82.80153.2-72.6-172.6177.9-172.1-0.2109.1F251F251-R253 VanDerWaalsContact C-N 3.26Å; F251-R253 PolarHBondContact O-N 3.35Å

Retrieved 253 of 253 residues in 566.4 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).