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UDP-N-acetylglucosamine transferase subunit ALG13

AlphaFold DB , UniProt , Accession A0A096LP10, Species HUMAN (Homo sapiens, Human), Gene ALG13, Length 162 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V87.6Confident78.6Confident22 Ų2228.5 Ų28.513%0.13318%0.175CC..  0136.10177.70000108.5V15 L32 I33 L34 Q35 I73V1-V15 HydrophobicContact CG1-CG2 4.35Å; V1-V15 HydrophobicContact CG2-CG1 3.86Å; V1-V15 HydrophobicContact CG2-CG2 4.47Å; V1-L32 HydrophobicContact CG2-CD1 3.81Å; V1-I33 PolarHBondContact N-O 2.86Å; V1-L34 HydrophobicContact CB-CD2 3.82Å; V1-L34 HydrophobicContact CB-CG 4.49Å; V1-L34 HydrophobicContact CG1-CD2 3.83Å; V1-L34 HydrophobicContact CG2-CD2 4.31Å; V1-Q35 PolarHBondContact O-N 3.1Å; V1-I73 CarbonylContact C-O 3.56Å; V1-I73 WeakPolarHBondContact CA-O 3.39Å; V1-I73 HydrophobicContact CB-CB 4.42Å; V1-I73 HydrophobicContact CG1-CB 4.48Å; V1-I73 HydrophobicContact CG2-CB 3.88Å; V1-I73 HydrophobicContact CG2-CD1 4Å; V1-I73 HydrophobicContact CG2-CG1 4.28Å
2T85.4Confident79.4Confident9 Ų926.3 Ų26.36%0.05516%0.161CC..BIsolated β-bridgetrans-142132.2-179.1173.20000111.4G4 Q35 V72 I73 S74 H75T2-G4 PolarHBondContact OG1-N 3.19Å; T2-Q35 PolarHBondContact OG1-OE1 3.35Å; T2-V72 HydrophobicContact CG2-CG1 4.33Å; T2-I73 PolarHBondContact N-O 2.87Å; T2-S74 CarbonylContact O-C 3.6Å; T2-S74 VanDerWaalsContact O-CA 3.29Å; T2-S74 WeakPolarHBondContact O-CA 3.22Å; T2-H75 PolarHBondContact O-N 3.31Å; T2-H75 VanDerWaalsContact O-N 3.08Å
3V78.4Confident80.1Confident4 Ų428.2 Ų28.22%0.02418%0.181CC..  trans-101.92.1171.1-62.60000112T6 F8 L11 I12 Q35V3-T6 PolarHBondContact O-N 2.52Å; V3-T6 PolarHBondContact O-OG1 2.93Å; V3-F8 HydrophobicContact CB-CB 4.28Å; V3-F8 HydrophobicContact CG1-CB 3.89Å; V3-L11 HydrophobicContact CG1-CD2 3.9Å; V3-L11 HydrophobicContact CG1-CG 4.49Å; V3-I12 HydrophobicContact CG1-CD1 3.64Å; V3-I12 HydrophobicContact CG1-CG1 4.28Å; V3-Q35 PolarHBondContact N-O 3.38Å
4G73.9Confident80.6Confident9 Ų928 Ų289%0.09318%0.18CC..THydrogen-bonded Turntrans59.8-137.3-175.700000111.9T2 T6 Q35 G37T2-G4 PolarHBondContact OG1-N 3.19Å; G4-T6 VanDerWaalsContact C-N 3.31Å; G4-Q35 PolarHBondContact O-NE2 2.73Å; G4-G37 WeakPolarHBondContact O-CA 3.25Å
5T66.1Low81Confident65 Ų6526.2 Ų26.240%0.39917%0.169SC..THydrogen-bonded Turntrans-88.21.5179.957.80000113.6R38T5-R38 PolarHBondContact O-NE 2.78Å; T5-R38 PolarHBondContact O-NH2 3.13Å
6T69.1Low81.5Confident24 Ų2426.3 Ų26.315%0.14717%0.17CC..SBendtrans-91.5153.9-179.863.30000111.7V3 G4 K78V3-T6 PolarHBondContact O-N 2.52Å; V3-T6 PolarHBondContact O-OG1 2.93Å; G4-T6 VanDerWaalsContact C-N 3.31Å; T6-K78 HydrophobicContact CG2-CB 4Å
7S73.6Confident81.9Confident66 Ų6626.4 Ų26.446%0.46217%0.174SC..  trans-88.4114.4171.2510000108.8
8F78.3Confident82.1Confident5 Ų530.1 Ų30.12%0.02220%0.198CC..  trans-136.669.5174.5-166.7-172.7000110.8V3 D10 L11 I12 H75 V96 N98 C124V3-F8 HydrophobicContact CB-CB 4.28Å; V3-F8 HydrophobicContact CG1-CB 3.89Å; F8-D10 VanDerWaalsContact C-N 3.27Å; F8-D10 HydrophobicContact CD2-CB 4.05Å; F8-D10 HydrophobicContact CE2-CB 3.74Å; F8-D10 PolarHBondContact O-N 3.36Å; F8-L11 HydrophobicContact CB-CB 4.4Å; F8-L11 HydrophobicContact CD1-CB 3.47Å; F8-L11 VanDerWaalsContact CD1-CB 3.47Å; F8-L11 HydrophobicContact CD1-CD2 3.88Å; F8-L11 HydrophobicContact CD1-CG 4.31Å; F8-L11 HydrophobicContact CD2-CB 4.05Å; F8-L11 HydrophobicContact CE1-CB 3.62Å; F8-L11 HydrophobicContact CE1-CD2 4.1Å; F8-L11 HydrophobicContact CE1-CG 4.41Å; F8-L11 HydrophobicContact CE2-CB 4.2Å; F8-L11 HydrophobicContact CG-CB 3.7Å; F8-L11 HydrophobicContact CZ-CB 3.98Å; F8-L11 PolarHBondContact O-N 3.08Å; F8-L11 VanDerWaalsContact O-N 3.15Å; F8-I12 PolarHBondContact O-N 3.15Å; F8-H75 HydrophobicContact CD1-CB 3.83Å; F8-H75 AromaticContact CD1-CD2 3.88Å; F8-H75 AromaticContact CD1-CG 3.43Å; F8-H75 VanDerWaalsContact CD1-CG 3.43Å; F8-H75 AromaticContact CD1-ND1 3.49Å; F8-H75 WeakPolarHBondContact CD1-ND1 3.47Å; F8-H75 HydrophobicContact CE1-CB 4.34Å; F8-H75 AromaticContact CE1-CE1 3.96Å; F8-H75 AromaticContact CE1-CG 3.85Å; F8-H75 AromaticContact CE1-ND1 3.41Å; F8-H75 WeakPolarHBondContact CE1-ND1 3.45Å; F8-V96 HydrophobicContact CE1-CG1 4.2Å; F8-N98 HydrophobicContact CD1-CB 4.36Å; F8-N98 HydrophobicContact CD2-CB 4.44Å; F8-N98 WeakPolarHBondContact CD2-ND2 3.22Å; F8-N98 HydrophobicContact CE1-CB 3.75Å; F8-N98 HydrophobicContact CE2-CB 3.82Å; F8-N98 VanDerWaalsContact CE2-ND2 3.32Å; F8-N98 WeakPolarHBondContact CE2-ND2 3.5Å; F8-N98 HydrophobicContact CZ-CB 3.45Å; F8-N98 VanDerWaalsContact CZ-CB 3.45Å; F8-C124 VanDerWaalsContact CZ-SG 3.58Å
9D83.8Confident82.3Confident44 Ų4434.2 Ų34.224%0.23522%0.218CC..Hα-helixtrans-58.9-37.2-176.4-66.8-41.2000112.7L11 I12 A13 G39 T40 V41D9-L11 VanDerWaalsContact C-N 3.33Å; D9-L11 PolarHBondContact O-N 2.89Å; D9-I12 PolarHBondContact O-N 2.96Å; D9-A13 WeakPolarHBondContact O-CB 3.22Å; D9-A13 PolarHBondContact O-N 2.92Å; D9-G39 WeakPolarHBondContact OD1-CA 3.46Å; D9-T40 PolarHBondContact OD1-N 3.17Å; D9-V41 HydrophobicContact CB-CB 3.93Å; D9-V41 HydrophobicContact CB-CG2 3.58Å; D9-V41 PolarHBondContact OD1-N 3.46Å
10D84.3Confident82.6Confident66 Ų6632.6 Ų32.635%0.35321%0.208SC..Hα-helixtrans-61.2-38.4177.1-68.7-73.8000112.8F8 C14 K100F8-D10 VanDerWaalsContact C-N 3.27Å; F8-D10 HydrophobicContact CD2-CB 4.05Å; F8-D10 HydrophobicContact CE2-CB 3.74Å; F8-D10 PolarHBondContact O-N 3.36Å; D10-C14 WeakPolarHBondContact O-CB 3.47Å; D10-C14 PolarHBondContact O-N 3.48Å; D10-K100 IonicContact OD1-NZ 2.76Å; D10-K100 PolarHBondContact OD1-NZ 3.01Å; D10-K100 WeakPolarHBondContact OD2-CD 3.39Å; D10-K100 WeakPolarHBondContact OD2-CE 3.45Å; D10-K100 IonicContact OD2-NZ 2.79Å; D10-K100 PolarHBondContact OD2-NZ 2.91Å
11L84.8Confident82.8Confident0 Ų032.1 Ų32.10%020%0.203CC..Hα-helixtrans-67.8-42.8176.6174.757.8000110.7V3 F8 D9 C14 V15 H75 V96 L127V3-L11 HydrophobicContact CG1-CD2 3.9Å; V3-L11 HydrophobicContact CG1-CG 4.49Å; F8-L11 HydrophobicContact CB-CB 4.4Å; F8-L11 HydrophobicContact CD1-CB 3.47Å; F8-L11 VanDerWaalsContact CD1-CB 3.47Å; F8-L11 HydrophobicContact CD1-CD2 3.88Å; F8-L11 HydrophobicContact CD1-CG 4.31Å; F8-L11 HydrophobicContact CD2-CB 4.05Å; F8-L11 HydrophobicContact CE1-CB 3.62Å; F8-L11 HydrophobicContact CE1-CD2 4.1Å; F8-L11 HydrophobicContact CE1-CG 4.41Å; F8-L11 HydrophobicContact CE2-CB 4.2Å; F8-L11 HydrophobicContact CG-CB 3.7Å; F8-L11 HydrophobicContact CZ-CB 3.98Å; F8-L11 PolarHBondContact O-N 3.08Å; F8-L11 VanDerWaalsContact O-N 3.15Å; D9-L11 VanDerWaalsContact C-N 3.33Å; D9-L11 PolarHBondContact O-N 2.89Å; L11-C14 PolarHBondContact O-N 3.26Å; L11-V15 HydrophobicContact CD1-CG2 3.59Å; L11-V15 HydrophobicContact CG-CG2 4.28Å; L11-V15 WeakPolarHBondContact O-CB 3.2Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.27Å; L11-H75 HydrophobicContact CD2-CB 4.27Å; L11-V96 HydrophobicContact CD1-CB 4.05Å; L11-V96 HydrophobicContact CD1-CG1 3.9Å; L11-V96 HydrophobicContact CD1-CG2 3.74Å; L11-V96 HydrophobicContact CD2-CB 4.06Å; L11-V96 HydrophobicContact CD2-CG2 4.11Å; L11-L127 HydrophobicContact CD1-CD2 4.23Å
12I87.8Confident82.7Confident2 Ų237 Ų371%0.0123%0.225CC..Hα-helixtrans-63.6-45.9179.5-56.8-48.5000110.3V3 F8 D9 C14 V15 S16 L34 I36 V41 P43V3-I12 HydrophobicContact CG1-CD1 3.64Å; V3-I12 HydrophobicContact CG1-CG1 4.28Å; F8-I12 PolarHBondContact O-N 3.15Å; D9-I12 PolarHBondContact O-N 2.96Å; I12-C14 VanDerWaalsContact C-N 3.35Å; I12-C14 PolarHBondContact O-N 3.22Å; I12-V15 PolarHBondContact O-N 3.33Å; I12-S16 WeakPolarHBondContact O-CB 3.45Å; I12-S16 PolarHBondContact O-N 2.86Å; I12-S16 PolarHBondContact O-OG 2.9Å; I12-L34 HydrophobicContact CD1-CD2 4.14Å; I12-I36 HydrophobicContact CD1-CG2 3.67Å; I12-I36 HydrophobicContact CG1-CG2 3.8Å; I12-I36 HydrophobicContact CG2-CG2 3.88Å; I12-V41 HydrophobicContact CB-CG1 4.24Å; I12-V41 HydrophobicContact CG2-CG1 3.97Å; I12-P43 HydrophobicContact CG2-CG 3.7Å
13A87.9Confident82.8Confident51 Ų5138.4 Ų38.442%0.42123%0.23SC..Hα-helixtrans-61.3-42.6175.100000111.9D9 S16 A17D9-A13 WeakPolarHBondContact O-CB 3.22Å; D9-A13 PolarHBondContact O-N 2.92Å; A13-S16 PolarHBondContact O-N 2.71Å; A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.25Å
14C87.7Confident83.2Confident25 Ų2538.6 Ų38.617%0.16923%0.231CC..Hα-helixtrans-64.8-45.5179175.60000112.6D10 L11 I12 S16 A17 S20 C124D10-C14 WeakPolarHBondContact O-CB 3.47Å; D10-C14 PolarHBondContact O-N 3.48Å; L11-C14 PolarHBondContact O-N 3.26Å; I12-C14 VanDerWaalsContact C-N 3.35Å; I12-C14 PolarHBondContact O-N 3.22Å; C14-S16 VanDerWaalsContact C-N 3.35Å; C14-A17 VanDerWaalsContact O-CB 3.26Å; C14-A17 WeakPolarHBondContact O-CB 3.23Å; C14-A17 PolarHBondContact O-N 3.26Å; C14-S20 VanDerWaalsContact O-CB 3.25Å; C14-S20 WeakPolarHBondContact O-CB 3.28Å; C14-S20 PolarHBondContact O-OG 3.35Å; C14-C124 HydrophobicContact CB-CB 4.05Å; C14-C124 PolarHBondContact SG-O 3.02Å
15V87.1Confident83.8Confident1 Ų142 Ų421%0.00624%0.244CC..Hα-helixtrans-71.6-33.5-180171.50000111.6V1 L11 I12 A17 S20 L32 L34 L127V1-V15 HydrophobicContact CG1-CG2 4.35Å; V1-V15 HydrophobicContact CG2-CG1 3.86Å; V1-V15 HydrophobicContact CG2-CG2 4.47Å; L11-V15 HydrophobicContact CD1-CG2 3.59Å; L11-V15 HydrophobicContact CG-CG2 4.28Å; L11-V15 WeakPolarHBondContact O-CB 3.2Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.27Å; I12-V15 PolarHBondContact O-N 3.33Å; V15-A17 PolarHBondContact O-N 2.62Å; V15-S20 WeakPolarHBondContact O-CB 3.47Å; V15-L32 HydrophobicContact CG1-CD2 3.8Å; V15-L34 HydrophobicContact CB-CD2 4.27Å; V15-L34 HydrophobicContact CG1-CD2 3.82Å; V15-L127 HydrophobicContact CG2-CD2 3.6Å
16S87.7Confident84.8Confident27 Ų2743.9 Ų43.919%0.18926%0.26CS..THydrogen-bonded Turntrans-83.5-1.1177.1-45.70000112.7I12 A13 C14 L21 P43I12-S16 WeakPolarHBondContact O-CB 3.45Å; I12-S16 PolarHBondContact O-N 2.86Å; I12-S16 PolarHBondContact O-OG 2.9Å; A13-S16 PolarHBondContact O-N 2.71Å; C14-S16 VanDerWaalsContact C-N 3.35Å; S16-L21 WeakPolarHBondContact O-CD1 3.47Å; S16-P43 WeakPolarHBondContact OG-CG 3.35Å
17A88.6Confident85.4Confident28 Ų2846.1 Ų46.123%0.23127%0.271CS..SBendtrans-69.1145.2176.600000110.3A13 C14 V15 D19 S20 L21A13-A17 WeakPolarHBondContact O-CB 3.41Å; A13-A17 PolarHBondContact O-N 3.25Å; C14-A17 VanDerWaalsContact O-CB 3.26Å; C14-A17 WeakPolarHBondContact O-CB 3.23Å; C14-A17 PolarHBondContact O-N 3.26Å; V15-A17 PolarHBondContact O-N 2.62Å; A17-D19 PolarHBondContact O-N 3.47Å; A17-S20 PolarHBondContact O-N 3.45Å; A17-L21 WeakPolarHBondContact O-CG 3.24Å; A17-L21 PolarHBondContact O-N 2.65Å
18P86Confident86Confident94 Ų9446 Ų4661%0.6128%0.281SS*.Hα-helixtrans-52.5-41.4179.9-25.833.3000113.3S20 L21 Q22P18-S20 VanDerWaalsContact C-N 3.35Å; P18-S20 PolarHBondContact O-N 2.84Å; P18-L21 PolarHBondContact O-N 2.88Å; P18-Q22 WeakPolarHBondContact O-CB 3.33Å; P18-Q22 WeakPolarHBondContact O-CG 3.38Å; P18-Q22 PolarHBondContact O-N 3.26Å
19D86.8Confident86.5Confident108 Ų10848.3 Ų48.358%0.57829%0.289SS*.Hα-helixtrans-59-42.1177.9-69.3-88.2000113.3A17 K23A17-D19 PolarHBondContact O-N 3.47Å; D19-K23 WeakPolarHBondContact O-CD 3.32Å; D19-K23 VanDerWaalsContact O-CG 3.23Å; D19-K23 WeakPolarHBondContact O-CG 3.41Å; D19-K23 PolarHBondContact O-N 2.88Å
20S86.5Confident86.8Confident2 Ų251.3 Ų51.31%0.01431%0.306CS..Hα-helixtrans-71.5-44179.1-660000110.8C14 V15 A17 P18 K23 I24C14-S20 VanDerWaalsContact O-CB 3.25Å; C14-S20 WeakPolarHBondContact O-CB 3.28Å; C14-S20 PolarHBondContact O-OG 3.35Å; V15-S20 WeakPolarHBondContact O-CB 3.47Å; A17-S20 PolarHBondContact O-N 3.45Å; P18-S20 VanDerWaalsContact C-N 3.35Å; P18-S20 PolarHBondContact O-N 2.84Å; S20-K23 PolarHBondContact O-N 3.31Å; S20-I24 VanDerWaalsContact O-CG1 3.23Å; S20-I24 WeakPolarHBondContact O-CG1 3.14Å; S20-I24 PolarHBondContact O-N 2.93Å
21L87.1Confident87.1Confident22 Ų2255.1 Ų55.112%0.11532%0.315CS..Hα-helixtrans-61.7-46179.3-64.4174.4000111.5S16 A17 P18 K23 I24 E25 L32 F46 F51 L53S16-L21 WeakPolarHBondContact O-CD1 3.47Å; A17-L21 WeakPolarHBondContact O-CG 3.24Å; A17-L21 PolarHBondContact O-N 2.65Å; P18-L21 PolarHBondContact O-N 2.88Å; L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 2.85Å; L21-I24 PolarHBondContact O-N 3.19Å; L21-E25 WeakPolarHBondContact O-CB 3.14Å; L21-E25 PolarHBondContact O-N 2.82Å; L21-L32 HydrophobicContact CD2-CD2 3.65Å; L21-F46 HydrophobicContact CD1-CE1 4.21Å; L21-F46 HydrophobicContact CD1-CZ 3.99Å; L21-F51 HydrophobicContact CD2-CE1 3.83Å; L21-F51 HydrophobicContact CD2-CZ 3.78Å; L21-L53 HydrophobicContact CD1-CD1 4.41Å; L21-L53 HydrophobicContact CD2-CD1 3.63Å
22Q86.4Confident87.4Confident125 Ų12555.8 Ų55.858%0.58432%0.319SS*.Hα-helixtrans-60.3-37.2176-78-169.9-29.700112.4P18 S26P18-Q22 WeakPolarHBondContact O-CB 3.33Å; P18-Q22 WeakPolarHBondContact O-CG 3.38Å; P18-Q22 PolarHBondContact O-N 3.26Å; Q22-S26 VanDerWaalsContact O-CB 3.28Å; Q22-S26 WeakPolarHBondContact O-CB 3.33Å; Q22-S26 PolarHBondContact O-N 3.03Å; Q22-S26 PolarHBondContact O-OG 2.92Å
23K86.6Confident87.6Confident39 Ų3957.5 Ų57.517%0.1733%0.327CS..Hα-helixtrans-69.5-42.5176.1-73170.5-176.6-126.40111.9D19 S20 L21 E25 S26 L27 P128 Q132D19-K23 WeakPolarHBondContact O-CD 3.32Å; D19-K23 VanDerWaalsContact O-CG 3.23Å; D19-K23 WeakPolarHBondContact O-CG 3.41Å; D19-K23 PolarHBondContact O-N 2.88Å; S20-K23 PolarHBondContact O-N 3.31Å; L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 2.85Å; K23-E25 VanDerWaalsContact C-N 3.3Å; K23-E25 PolarHBondContact O-N 3.1Å; K23-S26 PolarHBondContact O-N 3.47Å; K23-L27 WeakPolarHBondContact O-CD1 3.23Å; K23-L27 WeakPolarHBondContact O-CG 3.45Å; K23-L27 PolarHBondContact O-N 2.69Å; K23-P128 HydrophobicContact CD-CB 3.58Å; K23-P128 WeakPolarHBondContact CD-O 3.37Å; K23-P128 PolarHBondContact NZ-O 3.35Å; K23-Q132 HydrophobicContact CD-CG 4.34Å; K23-Q132 HydrophobicContact CG-CG 4.32Å; K23-Q132 VanDerWaalsContact NZ-OE1 3.08Å
24I86.6Confident87.6Confident8 Ų855 Ų554%0.04131%0.307CS..Hα-helixtrans-60.1-44.9176.3-68.5166.4000109.8S20 L21 L27 Y29 L32 F51 L131S20-I24 VanDerWaalsContact O-CG1 3.23Å; S20-I24 WeakPolarHBondContact O-CG1 3.14Å; S20-I24 PolarHBondContact O-N 2.93Å; L21-I24 PolarHBondContact O-N 3.19Å; I24-L27 WeakPolarHBondContact O-CB 3.46Å; I24-L27 PolarHBondContact O-N 2.89Å; I24-Y29 HydrophobicContact CG2-CD2 4.13Å; I24-Y29 HydrophobicContact CG2-CG 4.22Å; I24-Y29 WeakPolarHBondContact O-CB 3.25Å; I24-Y29 WeakPolarHBondContact O-CD2 3.46Å; I24-Y29 PolarHBondContact O-N 3.03Å; I24-Y29 VanDerWaalsContact O-N 3.17Å; I24-L32 HydrophobicContact CD1-CD1 4.19Å; I24-L32 HydrophobicContact CD1-CD2 4.03Å; I24-F51 HydrophobicContact CG2-CE2 3.85Å; I24-F51 HydrophobicContact CG2-CZ 4.45Å; I24-L131 HydrophobicContact CG1-CD1 4.05Å
25E87.4Confident87.5Confident80 Ų8054.3 Ų54.337%0.37430%0.301SS..Hα-helixtrans-64.6-42.2175.6-169.9175.6-159.600111.9L21 K23 L27 G28 S50L21-E25 WeakPolarHBondContact O-CB 3.14Å; L21-E25 PolarHBondContact O-N 2.82Å; K23-E25 VanDerWaalsContact C-N 3.3Å; K23-E25 PolarHBondContact O-N 3.1Å; E25-L27 PolarHBondContact O-N 3.33Å; E25-G28 WeakPolarHBondContact O-CA 3.46Å; E25-G28 PolarHBondContact O-N 3.06Å; E25-S50 WeakPolarHBondContact OE1-CB 3.44Å; E25-S50 PolarHBondContact OE1-OG 3.27Å
26S85.9Confident87.5Confident105 Ų10554.4 Ų54.473%0.73430%0.302SS*.Hα-helixtrans-63.8-25.6176.5-620000113.5Q22 K23 G28Q22-S26 VanDerWaalsContact O-CB 3.28Å; Q22-S26 WeakPolarHBondContact O-CB 3.33Å; Q22-S26 PolarHBondContact O-N 3.03Å; Q22-S26 PolarHBondContact O-OG 2.92Å; K23-S26 PolarHBondContact O-N 3.47Å; S26-G28 PolarHBondContact O-N 3.4Å
27L83.3Confident87Confident70 Ų7053.2 Ų53.237%0.36629%0.294SS..THydrogen-bonded Turntrans-77.8-5.4173.1-69.4164.2000112.6K23 I24 E25 Y29 L131 M134K23-L27 WeakPolarHBondContact O-CD1 3.23Å; K23-L27 WeakPolarHBondContact O-CG 3.45Å; K23-L27 PolarHBondContact O-N 2.69Å; I24-L27 WeakPolarHBondContact O-CB 3.46Å; I24-L27 PolarHBondContact O-N 2.89Å; E25-L27 PolarHBondContact O-N 3.33Å; L27-Y29 HydrophobicContact CB-CD2 3.61Å; L27-Y29 HydrophobicContact CB-CE2 3.64Å; L27-Y29 HydrophobicContact CD1-CD2 4.35Å; L27-Y29 HydrophobicContact CD1-CE2 4.07Å; L27-Y29 HydrophobicContact CG-CE2 4.46Å; L27-L131 HydrophobicContact CD1-CB 3.98Å; L27-L131 VanDerWaalsContact CD1-O 3.22Å; L27-L131 WeakPolarHBondContact CD1-O 3.44Å; L27-L131 WeakPolarHBondContact CD2-O 3.3Å; L27-M134 HydrophobicContact CD1-CE 4.3Å
28G86.5Confident86.4Confident65 Ų6560.6 Ų60.667%0.6732%0.316SS*.THydrogen-bonded Turntrans909-179.100000114.3E25 S26E25-G28 WeakPolarHBondContact O-CA 3.46Å; E25-G28 PolarHBondContact O-N 3.06Å; S26-G28 PolarHBondContact O-N 3.4Å
29Y88.2Confident85.9Confident52 Ų5256.5 Ų56.520%0.20429%0.29CS..  trans-82121.7173.7-60.5-72.7000110.2I24 L27 F51 D70 L136I24-Y29 HydrophobicContact CG2-CD2 4.13Å; I24-Y29 HydrophobicContact CG2-CG 4.22Å; I24-Y29 WeakPolarHBondContact O-CB 3.25Å; I24-Y29 WeakPolarHBondContact O-CD2 3.46Å; I24-Y29 PolarHBondContact O-N 3.03Å; I24-Y29 VanDerWaalsContact O-N 3.17Å; L27-Y29 HydrophobicContact CB-CD2 3.61Å; L27-Y29 HydrophobicContact CB-CE2 3.64Å; L27-Y29 HydrophobicContact CD1-CD2 4.35Å; L27-Y29 HydrophobicContact CD1-CE2 4.07Å; L27-Y29 HydrophobicContact CG-CE2 4.46Å; Y29-F51 WeakPolarHBondContact O-CD2 3.46Å; Y29-D70 HydrophobicContact CE1-CB 4.04Å; Y29-L136 WeakPolarHBondContact OH-CD1 3.17Å
30N89.9Confident85.4Confident108 Ų10857 Ų5758%0.57830%0.297SS*.  trans-98-4.8178.56014.8000113.4S50 F51 T52N30-S50 WeakPolarHBondContact CA-O 3.48Å; N30-S50 VanDerWaalsContact CB-O 3.24Å; N30-S50 WeakPolarHBondContact CB-O 3.4Å; N30-F51 CarbonylContact O-C 3.5Å; N30-F51 VanDerWaalsContact O-CA 3.29Å; N30-F51 WeakPolarHBondContact O-CA 3.29Å; N30-T52 PolarHBondContact O-N 2.89Å
31R91.1Very high85.2Confident146 Ų14659.3 Ų59.355%0.55131%0.311SS*.EExtended strand (participates in β ladder)trans-141.1126.5-176.8-167.6174.4-174.2178.74.2112.1I33 T52 D54R31-I33 HydrophobicContact CG-CG1 4.41Å; R31-T52 CarbonylContact C-O 3.58Å; R31-T52 WeakPolarHBondContact CA-O 3.43Å; R31-D54 IonicContact CZ-OD2 3.39Å; R31-D54 IonicContact NE-OD2 3.09Å; R31-D54 PolarHBondContact NE-OD2 3.18Å; R31-D54 VanDerWaalsContact NE-OD2 3.09Å; R31-D54 IonicContact NH2-OD2 2.81Å; R31-D54 PolarHBondContact NH2-OD2 2.8Å
32L91.1Very high85.1Confident14 Ų1461.7 Ų61.77%0.07333%0.326CS..EExtended strand (participates in β ladder)trans-120.6123.2174.7-17565.2000110.2V1 V15 L21 I24 L34 F51 T52 L53 D54V1-L32 HydrophobicContact CG2-CD1 3.81Å; V15-L32 HydrophobicContact CG1-CD2 3.8Å; L21-L32 HydrophobicContact CD2-CD2 3.65Å; I24-L32 HydrophobicContact CD1-CD1 4.19Å; I24-L32 HydrophobicContact CD1-CD2 4.03Å; L32-L34 HydrophobicContact CD2-CD1 4.15Å; L32-L34 HydrophobicContact CD2-CG 4.4Å; L32-L34 HydrophobicContact CG-CG 4.38Å; L32-F51 HydrophobicContact CB-CE1 4.3Å; L32-F51 HydrophobicContact CB-CE2 4.03Å; L32-F51 HydrophobicContact CB-CZ 3.45Å; L32-F51 VanDerWaalsContact CB-CZ 3.45Å; L32-F51 HydrophobicContact CD2-CZ 4.09Å; L32-F51 HydrophobicContact CG-CZ 4.42Å; L32-T52 PolarHBondContact N-O 3.01Å; L32-L53 HydrophobicContact CD2-CD1 3.87Å; L32-L53 CarbonylContact O-C 3.52Å; L32-L53 WeakPolarHBondContact O-CA 3.29Å; L32-D54 PolarHBondContact O-N 2.77Å
33I90.6Very high85Confident37 Ų3756.8 Ų56.819%0.1931%0.305CS..EExtended strand (participates in β ladder)trans-109.1119.6175.7-60178.4000108.3V1 R31 D54 Y56V1-I33 PolarHBondContact N-O 2.86Å; R31-I33 HydrophobicContact CG-CG1 4.41Å; I33-D54 CarbonylContact C-O 3.58Å; I33-D54 HydrophobicContact CG1-CB 4.27Å; I33-Y56 HydrophobicContact CG2-CD1 3.96Å; I33-Y56 HydrophobicContact CG2-CE1 3.27Å
34L88.9Confident85Confident0 Ų063 Ų630%034%0.335CS..EExtended strand (participates in β ladder)trans-106.3104.1179.5-80.4154.1000110V1 I12 V15 L32 P43 L53 D54 V55 Y56V1-L34 HydrophobicContact CB-CD2 3.82Å; V1-L34 HydrophobicContact CB-CG 4.49Å; V1-L34 HydrophobicContact CG1-CD2 3.83Å; V1-L34 HydrophobicContact CG2-CD2 4.31Å; I12-L34 HydrophobicContact CD1-CD2 4.14Å; V15-L34 HydrophobicContact CB-CD2 4.27Å; V15-L34 HydrophobicContact CG1-CD2 3.82Å; L32-L34 HydrophobicContact CD2-CD1 4.15Å; L32-L34 HydrophobicContact CD2-CG 4.4Å; L32-L34 HydrophobicContact CG-CG 4.38Å; L34-P43 HydrophobicContact CD1-CG 4.14Å; L34-L53 HydrophobicContact CD1-CD1 3.76Å; L34-L53 HydrophobicContact CD1-CD2 3.93Å; L34-L53 HydrophobicContact CD1-CG 3.89Å; L34-D54 PolarHBondContact N-O 2.86Å; L34-V55 HydrophobicContact CB-CG1 4.33Å; L34-V55 HydrophobicContact CB-CG2 4.22Å; L34-V55 HydrophobicContact CD1-CG2 4.33Å; L34-V55 WeakPolarHBondContact O-CA 3.42Å; L34-Y56 PolarHBondContact O-N 3.07Å
35Q86Confident85.1Confident9 Ų966.6 Ų66.64%0.04236%0.359CS..EExtended strand (participates in β ladder)trans-83.9116.5164.7-175.1-80.6-32.300108.7V1 T2 V3 G4 Y56 R57 L62V1-Q35 PolarHBondContact O-N 3.1Å; T2-Q35 PolarHBondContact OG1-OE1 3.35Å; V3-Q35 PolarHBondContact N-O 3.38Å; G4-Q35 PolarHBondContact O-NE2 2.73Å; Q35-Y56 CarbonylContact C-O 3.52Å; Q35-Y56 WeakPolarHBondContact CA-O 3.33Å; Q35-Y56 HydrophobicContact CB-CD2 4.17Å; Q35-Y56 HydrophobicContact CB-CE2 3.54Å; Q35-Y56 HydrophobicContact CG-CD2 3.91Å; Q35-Y56 HydrophobicContact CG-CE2 3.35Å; Q35-R57 PolarHBondContact NE2-O 2.92Å; Q35-L62 HydrophobicContact CG-CD2 4.39Å
36I85.3Confident85.2Confident4 Ų466.8 Ų66.82%0.02136%0.358CS..  trans-106.6143.5178.558.2156.9000110.6I12 V42 V55 Y56 R57I12-I36 HydrophobicContact CD1-CG2 3.67Å; I12-I36 HydrophobicContact CG1-CG2 3.8Å; I12-I36 HydrophobicContact CG2-CG2 3.88Å; I36-V42 HydrophobicContact CD1-CB 4.02Å; I36-V42 HydrophobicContact CD1-CG1 3.72Å; I36-V42 HydrophobicContact CD1-CG2 3.53Å; I36-V55 HydrophobicContact CD1-CG1 4.08Å; I36-V55 HydrophobicContact CG1-CG1 4.05Å; I36-V55 HydrophobicContact CG2-CG1 4.04Å; I36-Y56 VanDerWaalsContact CG1-O 3.31Å; I36-Y56 WeakPolarHBondContact CG1-O 3.4Å; I36-Y56 PolarHBondContact N-O 2.77Å; I36-R57 HydrophobicContact CD1-CG 3.62Å; I36-R57 HydrophobicContact CG1-CB 4.45Å; I36-R57 HydrophobicContact CG1-CG 3.59Å; I36-R57 CarbonylContact O-C 3.52Å; I36-R57 WeakPolarHBondContact O-CA 3.42Å
37G78.8Confident85.4Confident2 Ų265.7 Ų65.72%0.02135%0.351CS..  trans-91.7-136.4-177.800000112.6G4 G39G4-G37 WeakPolarHBondContact O-CA 3.25Å; G37-G39 PolarHBondContact O-N 3.38Å
38R76.1Confident85.6Confident183 Ų18365.7 Ų65.769%0.69135%0.354SS*.SBendtrans-77.312.2173.2-69.9-177.9-84.9-176.1-7.5113.9T5 Y58T5-R38 PolarHBondContact O-NE 2.78Å; T5-R38 PolarHBondContact O-NH2 3.13Å; R38-Y58 WeakPolarHBondContact CG-OH 3.33Å
39G73.8Confident85.5Confident7 Ų772.7 Ų72.77%0.07237%0.369CS..  trans-65.3159178.500000112.7D9 G37D9-G39 WeakPolarHBondContact OD1-CA 3.46Å; G37-G39 PolarHBondContact O-N 3.38Å
40T78.1Confident85.4Confident118 Ų11873.3 Ų73.372%0.72438%0.381SS*.SBendtrans-89.7-22.8175.456.20000111.9D9 V42D9-T40 PolarHBondContact OD1-N 3.17Å; T40-V42 PolarHBondContact O-N 3.03Å
41V81.6Confident85.4Confident52 Ų5268.4 Ų68.432%0.31536%0.355SS..  trans-78.7113.3178.7175.20000109.4D9 I12D9-V41 HydrophobicContact CB-CB 3.93Å; D9-V41 HydrophobicContact CB-CG2 3.58Å; D9-V41 PolarHBondContact OD1-N 3.46Å; I12-V41 HydrophobicContact CB-CG1 4.24Å; I12-V41 HydrophobicContact CG2-CG1 3.97Å
42V85Confident85.5Confident72 Ų7263.4 Ų63.444%0.43634%0.34SS..  trans-124.3101.3175.5-172.40000107.5I36 T40 V55I36-V42 HydrophobicContact CD1-CB 4.02Å; I36-V42 HydrophobicContact CD1-CG1 3.72Å; I36-V42 HydrophobicContact CD1-CG2 3.53Å; T40-V42 PolarHBondContact O-N 3.03Å; V42-V55 HydrophobicContact CG1-CG1 4.3Å
43P84.8Confident85.5Confident22 Ų2262.9 Ų62.914%0.14334%0.337CS..PPolyproline II helixtrans-64.8146.1172.525.1-30000109.1I12 S16 L34 V55I12-P43 HydrophobicContact CG2-CG 3.7Å; S16-P43 WeakPolarHBondContact OG-CG 3.35Å; L34-P43 HydrophobicContact CD1-CG 4.14Å; P43-V55 HydrophobicContact CG-CG1 4.24Å; P43-V55 HydrophobicContact CG-CG2 3.94Å; P43-V55 WeakPolarHBondContact O-CG2 3.13Å
44E86.3Confident85.5Confident170 Ų17063.5 Ų63.579%0.79434%0.341SS*.PPolyproline II helixtrans-73.6127.6174.9-68.6-170.8103.700109.4
45P88.6Confident85.5Confident82 Ų8264.9 Ų64.953%0.53235%0.35SS..PPolyproline II helixtrans-64.2137.9172.827.9-32.9000109.5L53 V55P45-L53 CarbonylContact C-O 3.57Å; P45-L53 WeakPolarHBondContact CA-O 3.47Å; P45-L53 VanDerWaalsContact CB-O 3.25Å; P45-L53 WeakPolarHBondContact CB-O 3.31Å; P45-V55 HydrophobicContact CB-CG2 4.21Å
46F90.1Very high85.6Confident84 Ų8466.6 Ų66.637%0.36836%0.356SS..EExtended strand (participates in β ladder)trans-143.6154.5178.969.9-94.3000110.4L21 T48 F51 L53L21-F46 HydrophobicContact CD1-CE1 4.21Å; L21-F46 HydrophobicContact CD1-CZ 3.99Å; F46-T48 HydrophobicContact CD2-CG2 3.96Å; F46-T48 HydrophobicContact CE2-CG2 4.01Å; F46-F51 AromaticContact CE2-CD1 3.93Å; F46-F51 HydrophobicContact CE2-CD1 3.93Å; F46-F51 HydrophobicContact CE2-CE1 4.36Å; F46-F51 HydrophobicContact CZ-CD1 4.1Å; F46-F51 HydrophobicContact CZ-CE1 4.08Å; F46-L53 HydrophobicContact CD1-CB 3.93Å; F46-L53 HydrophobicContact CD1-CD2 4.23Å; F46-L53 HydrophobicContact CD1-CG 4.46Å; F46-L53 HydrophobicContact CE1-CB 3.78Å; F46-L53 HydrophobicContact CE1-CD1 3.79Å; F46-L53 HydrophobicContact CE1-CD2 4.27Å; F46-L53 HydrophobicContact CE1-CG 4.17Å; F46-L53 HydrophobicContact CG-CB 4.37Å; F46-L53 HydrophobicContact CZ-CB 4.08Å; F46-L53 HydrophobicContact CZ-CD1 4.28Å; F46-L53 PolarHBondContact N-O 2.88Å; F46-L53 VanDerWaalsContact N-O 3.08Å; F46-L53 PolarHBondContact O-N 3.06Å
47S89.9Confident85.4Confident83 Ų8372.5 Ų72.558%0.5838%0.378SS*.EExtended strand (participates in β ladder)trans-131.1132.5172.2-163.50000109.3T52S47-T52 PolarHBondContact OG-OG1 3.29Å
48T86.4Confident85Confident69 Ų6979.1 Ų79.142%0.42340%0.404SS..  trans-109.5-179.4171.763.90000108.9F46 S50 F51F46-T48 HydrophobicContact CD2-CG2 3.96Å; F46-T48 HydrophobicContact CE2-CG2 4.01Å; T48-S50 VanDerWaalsContact C-N 3.28Å; T48-S50 PolarHBondContact O-N 2.96Å; T48-F51 PolarHBondContact N-O 3.44Å; T48-F51 WeakPolarHBondContact OG1-CA 3.32Å; T48-F51 WeakPolarHBondContact OG1-CB 3.4Å; T48-F51 PolarHBondContact OG1-N 2.86Å; T48-F51 PolarHBondContact OG1-O 2.95Å
49E84.8Confident84.8Confident212 Ų21275 Ų7599%0.99139%0.39SS*.SBendtrans-66.9-29.8176.7-64.4-167.6126.300112.9
50S87.1Confident84.4Confident65 Ų6583.2 Ų83.246%0.45543%0.433SS..SBendtrans-107.6-20.1-176.751.30000114.3E25 N30 T48E25-S50 WeakPolarHBondContact OE1-CB 3.44Å; E25-S50 PolarHBondContact OE1-OG 3.27Å; N30-S50 WeakPolarHBondContact CA-O 3.48Å; N30-S50 VanDerWaalsContact CB-O 3.24Å; N30-S50 WeakPolarHBondContact CB-O 3.4Å; T48-S50 VanDerWaalsContact C-N 3.28Å; T48-S50 PolarHBondContact O-N 2.96Å
51F90Very high83.8Confident6 Ų679.7 Ų79.73%0.02641%0.413CS..  trans-145.1133.2-170.7-174.9-96.7000113.9L21 I24 Y29 N30 L32 F46 T48 L53L21-F51 HydrophobicContact CD2-CE1 3.83Å; L21-F51 HydrophobicContact CD2-CZ 3.78Å; I24-F51 HydrophobicContact CG2-CE2 3.85Å; I24-F51 HydrophobicContact CG2-CZ 4.45Å; Y29-F51 WeakPolarHBondContact O-CD2 3.46Å; N30-F51 CarbonylContact O-C 3.5Å; N30-F51 VanDerWaalsContact O-CA 3.29Å; N30-F51 WeakPolarHBondContact O-CA 3.29Å; L32-F51 HydrophobicContact CB-CE1 4.3Å; L32-F51 HydrophobicContact CB-CE2 4.03Å; L32-F51 HydrophobicContact CB-CZ 3.45Å; L32-F51 VanDerWaalsContact CB-CZ 3.45Å; L32-F51 HydrophobicContact CD2-CZ 4.09Å; L32-F51 HydrophobicContact CG-CZ 4.42Å; F46-F51 AromaticContact CE2-CD1 3.93Å; F46-F51 HydrophobicContact CE2-CD1 3.93Å; F46-F51 HydrophobicContact CE2-CE1 4.36Å; F46-F51 HydrophobicContact CZ-CD1 4.1Å; F46-F51 HydrophobicContact CZ-CE1 4.08Å; T48-F51 PolarHBondContact N-O 3.44Å; T48-F51 WeakPolarHBondContact OG1-CA 3.32Å; T48-F51 WeakPolarHBondContact OG1-CB 3.4Å; T48-F51 PolarHBondContact OG1-N 2.86Å; T48-F51 PolarHBondContact OG1-O 2.95Å; F51-L53 HydrophobicContact CE1-CB 3.96Å; F51-L53 HydrophobicContact CE1-CD1 4.25Å
52T92.1Very high83.5Confident41 Ų4179 Ų7925%0.25241%0.408SS..EExtended strand (participates in β ladder)trans-118.6129176.3-53.90000111.2N30 R31 L32 S47N30-T52 PolarHBondContact O-N 2.89Å; R31-T52 CarbonylContact C-O 3.58Å; R31-T52 WeakPolarHBondContact CA-O 3.43Å; L32-T52 PolarHBondContact N-O 3.01Å; S47-T52 PolarHBondContact OG-OG1 3.29Å
53L91.6Very high83Confident2 Ų280.8 Ų80.81%0.0141%0.409CS..EExtended strand (participates in β ladder)trans-112.9110.8174.1-170.4138.2000110L21 L32 L34 P45 F46 F51 V55L21-L53 HydrophobicContact CD1-CD1 4.41Å; L21-L53 HydrophobicContact CD2-CD1 3.63Å; L32-L53 HydrophobicContact CD2-CD1 3.87Å; L32-L53 CarbonylContact O-C 3.52Å; L32-L53 WeakPolarHBondContact O-CA 3.29Å; L34-L53 HydrophobicContact CD1-CD1 3.76Å; L34-L53 HydrophobicContact CD1-CD2 3.93Å; L34-L53 HydrophobicContact CD1-CG 3.89Å; P45-L53 CarbonylContact C-O 3.57Å; P45-L53 WeakPolarHBondContact CA-O 3.47Å; P45-L53 VanDerWaalsContact CB-O 3.25Å; P45-L53 WeakPolarHBondContact CB-O 3.31Å; F46-L53 HydrophobicContact CD1-CB 3.93Å; F46-L53 HydrophobicContact CD1-CD2 4.23Å; F46-L53 HydrophobicContact CD1-CG 4.46Å; F46-L53 HydrophobicContact CE1-CB 3.78Å; F46-L53 HydrophobicContact CE1-CD1 3.79Å; F46-L53 HydrophobicContact CE1-CD2 4.27Å; F46-L53 HydrophobicContact CE1-CG 4.17Å; F46-L53 HydrophobicContact CG-CB 4.37Å; F46-L53 HydrophobicContact CZ-CB 4.08Å; F46-L53 HydrophobicContact CZ-CD1 4.28Å; F46-L53 PolarHBondContact N-O 2.88Å; F46-L53 VanDerWaalsContact N-O 3.08Å; F46-L53 PolarHBondContact O-N 3.06Å; F51-L53 HydrophobicContact CE1-CB 3.96Å; F51-L53 HydrophobicContact CE1-CD1 4.25Å; L53-V55 HydrophobicContact CD2-CG2 3.42Å; L53-V55 VanDerWaalsContact CD2-CG2 3.42Å
54D90.8Very high82.8Confident51 Ų5184.9 Ų84.927%0.27343%0.426SS..EExtended strand (participates in β ladder)trans-101.3138.6175-75.9-57.7000109.9R31 L32 I33 L34R31-D54 IonicContact CZ-OD2 3.39Å; R31-D54 IonicContact NE-OD2 3.09Å; R31-D54 PolarHBondContact NE-OD2 3.18Å; R31-D54 VanDerWaalsContact NE-OD2 3.09Å; R31-D54 IonicContact NH2-OD2 2.81Å; R31-D54 PolarHBondContact NH2-OD2 2.8Å; L32-D54 PolarHBondContact O-N 2.77Å; I33-D54 CarbonylContact C-O 3.58Å; I33-D54 HydrophobicContact CG1-CB 4.27Å; L34-D54 PolarHBondContact N-O 2.86Å
55V89.3Confident82.6Confident29 Ų2978 Ų7818%0.17640%0.395CS..EExtended strand (participates in β ladder)trans-129.8128.5179-169.40000109.7L34 I36 V42 P43 P45 L53L34-V55 HydrophobicContact CB-CG1 4.33Å; L34-V55 HydrophobicContact CB-CG2 4.22Å; L34-V55 HydrophobicContact CD1-CG2 4.33Å; L34-V55 WeakPolarHBondContact O-CA 3.42Å; I36-V55 HydrophobicContact CD1-CG1 4.08Å; I36-V55 HydrophobicContact CG1-CG1 4.05Å; I36-V55 HydrophobicContact CG2-CG1 4.04Å; V42-V55 HydrophobicContact CG1-CG1 4.3Å; P43-V55 HydrophobicContact CG-CG1 4.24Å; P43-V55 HydrophobicContact CG-CG2 3.94Å; P43-V55 WeakPolarHBondContact O-CG2 3.13Å; P45-V55 HydrophobicContact CB-CG2 4.21Å; L53-V55 HydrophobicContact CD2-CG2 3.42Å; L53-V55 VanDerWaalsContact CD2-CG2 3.42Å
56Y87.4Confident82.2Confident45 Ų4574.4 Ų74.418%0.17637%0.371CS..EExtended strand (participates in β ladder)trans-143.4156173.665.3-103.2000112I33 L34 Q35 I36 K59 L62 D65I33-Y56 HydrophobicContact CG2-CD1 3.96Å; I33-Y56 HydrophobicContact CG2-CE1 3.27Å; L34-Y56 PolarHBondContact O-N 3.07Å; Q35-Y56 CarbonylContact C-O 3.52Å; Q35-Y56 WeakPolarHBondContact CA-O 3.33Å; Q35-Y56 HydrophobicContact CB-CD2 4.17Å; Q35-Y56 HydrophobicContact CB-CE2 3.54Å; Q35-Y56 HydrophobicContact CG-CD2 3.91Å; Q35-Y56 HydrophobicContact CG-CE2 3.35Å; I36-Y56 VanDerWaalsContact CG1-O 3.31Å; I36-Y56 WeakPolarHBondContact CG1-O 3.4Å; I36-Y56 PolarHBondContact N-O 2.77Å; Y56-K59 HydrophobicContact CD2-CB 3.93Å; Y56-K59 HydrophobicContact CE1-CD 4.17Å; Y56-K59 HydrophobicContact CE2-CB 3.65Å; Y56-K59 HydrophobicContact CE2-CD 4.26Å; Y56-L62 HydrophobicContact CE2-CD2 4.31Å; Y56-L62 WeakPolarHBondContact OH-CD2 3.3Å; Y56-D65 PolarHBondContact OH-OD2 2.84Å
57R81.9Confident81.8Confident127 Ų12775.7 Ų75.748%0.47938%0.379SS..SBendtrans-87.6-67.4177.9-82178.3170166.8-1.2112.8Q35 I36Q35-R57 PolarHBondContact NE2-O 2.92Å; I36-R57 HydrophobicContact CD1-CG 3.62Å; I36-R57 HydrophobicContact CG1-CB 4.45Å; I36-R57 HydrophobicContact CG1-CG 3.59Å; I36-R57 CarbonylContact O-C 3.52Å; I36-R57 WeakPolarHBondContact O-CA 3.42Å
58Y70.5Confident81.6Confident142 Ų14279 Ų7956%0.55738%0.383SS*.  trans-122.8142.2179.2-62.8-81.1000108.6R38R38-Y58 WeakPolarHBondContact CG-OH 3.33Å
59K70.7Confident81.5Confident95 Ų9577.1 Ų77.141%0.41337%0.374SS..  trans-137.7140.7174.9-171173.5176.6177.90107.2Y56 S61 D65Y56-K59 HydrophobicContact CD2-CB 3.93Å; Y56-K59 HydrophobicContact CE1-CD 4.17Å; Y56-K59 HydrophobicContact CE2-CB 3.65Å; Y56-K59 HydrophobicContact CE2-CD 4.26Å; K59-S61 PolarHBondContact O-N 2.96Å; K59-D65 WeakPolarHBondContact CD-OD2 3.25Å; K59-D65 IonicContact NZ-OD1 2.72Å; K59-D65 PolarHBondContact NZ-OD1 3.36Å; K59-D65 IonicContact NZ-OD2 2.78Å; K59-D65 PolarHBondContact NZ-OD2 2.95Å
60D64.6Low81.6Confident181 Ų18172.1 Ų72.197%0.96835%0.354SS*.SBendtrans-61.7-26.2-178-71.9-82.4000113.3
61S67.5Low81.6Confident43 Ų4370.3 Ų70.330%0.30134%0.339SS..  trans-145.3113.8179.1-173.30000111.7K59 K63K59-S61 PolarHBondContact O-N 2.96Å; S61-K63 VanDerWaalsContact C-N 3.34Å
62L74.1Confident81.5Confident39 Ų3970.3 Ų70.320%0.20434%0.339CS..SBendtrans-79.8-19168.7-79.2157000112.1Q35 Y56 E64 D65 I66Q35-L62 HydrophobicContact CG-CD2 4.39Å; Y56-L62 HydrophobicContact CE2-CD2 4.31Å; Y56-L62 WeakPolarHBondContact OH-CD2 3.3Å; L62-E64 VanDerWaalsContact C-N 3.3Å; L62-E64 PolarHBondContact O-N 2.81Å; L62-D65 PolarHBondContact O-N 2.86Å; L62-D65 VanDerWaalsContact O-N 3.11Å; L62-I66 HydrophobicContact CB-CD1 4.14Å; L62-I66 WeakPolarHBondContact O-CG1 3.5Å; L62-I66 PolarHBondContact O-N 2.78Å
63K74.1Confident81.3Confident108 Ų10868.7 Ų68.747%0.4733%0.329SS..Hα-helixtrans-56.4-42-174.4-73.9-176.8176.1177.10113.2S61 Q67 E85S61-K63 VanDerWaalsContact C-N 3.34Å; K63-Q67 VanDerWaalsContact O-CB 3.22Å; K63-Q67 WeakPolarHBondContact O-CB 3.41Å; K63-Q67 PolarHBondContact O-N 3.09Å; K63-E85 WeakPolarHBondContact CE-OE2 3.43Å; K63-E85 HydrophobicContact CG-CG 4.01Å; K63-E85 WeakPolarHBondContact CG-OE1 3.34Å; K63-E85 PolarHBondContact N-OE1 3.27Å
64E81.3Confident80.9Confident108 Ų10868.7 Ų68.751%0.50533%0.329SS..Hα-helixtrans-68.8-38.9-179.7-67.1-170.979.100112L62 Q67 K68L62-E64 VanDerWaalsContact C-N 3.3Å; L62-E64 PolarHBondContact O-N 2.81Å; E64-Q67 PolarHBondContact O-N 3.5Å; E64-K68 WeakPolarHBondContact O-CB 3.12Å; E64-K68 WeakPolarHBondContact O-CG 3.47Å; E64-K68 PolarHBondContact O-N 3.07Å
65D81.9Confident80.4Confident25 Ų2566.6 Ų66.613%0.13432%0.318CS..Hα-helixtrans-68.5-44.9177.9-64.4-30.8000110.3Y56 K59 L62 Q67 K68 A69Y56-D65 PolarHBondContact OH-OD2 2.84Å; K59-D65 WeakPolarHBondContact CD-OD2 3.25Å; K59-D65 IonicContact NZ-OD1 2.72Å; K59-D65 PolarHBondContact NZ-OD1 3.36Å; K59-D65 IonicContact NZ-OD2 2.78Å; K59-D65 PolarHBondContact NZ-OD2 2.95Å; L62-D65 PolarHBondContact O-N 2.86Å; L62-D65 VanDerWaalsContact O-N 3.11Å; D65-Q67 VanDerWaalsContact C-N 3.29Å; D65-Q67 PolarHBondContact O-N 3.19Å; D65-K68 PolarHBondContact O-N 2.81Å; D65-A69 VanDerWaalsContact O-CB 3.22Å; D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 2.85Å
66I80.6Confident79.2Confident7 Ų765.6 Ų65.64%0.03631%0.313CS..Hα-helixtrans-60.1-40.6175.1-68.5169.8000110.8L62 A69 V72 E85 T86 K89 K91L62-I66 HydrophobicContact CB-CD1 4.14Å; L62-I66 WeakPolarHBondContact O-CG1 3.5Å; L62-I66 PolarHBondContact O-N 2.78Å; I66-A69 PolarHBondContact O-N 2.94Å; I66-V72 HydrophobicContact CG1-CG2 4.35Å; I66-V72 HydrophobicContact CG2-CG2 4.28Å; I66-E85 HydrophobicContact CD1-CB 4.19Å; I66-E85 HydrophobicContact CD1-CG 4.35Å; I66-T86 HydrophobicContact CG2-CG2 4.4Å; I66-K89 HydrophobicContact CG2-CB 4.26Å; I66-K89 HydrophobicContact CG2-CG 4.24Å; I66-K91 HydrophobicContact CG2-CG 4.34Å
67Q82.1Confident77.8Confident112 Ų11263.6 Ų63.652%0.52331%0.305SS..Hα-helixtrans-67.8-38.7179.7-177.8167.8-18.200112.4K63 E64 D65 K91K63-Q67 VanDerWaalsContact O-CB 3.22Å; K63-Q67 WeakPolarHBondContact O-CB 3.41Å; K63-Q67 PolarHBondContact O-N 3.09Å; E64-Q67 PolarHBondContact O-N 3.5Å; D65-Q67 VanDerWaalsContact C-N 3.29Å; D65-Q67 PolarHBondContact O-N 3.19Å; Q67-K91 VanDerWaalsContact O-CE 3.25Å; Q67-K91 WeakPolarHBondContact O-CE 3.45Å; Q67-K91 PolarHBondContact O-NZ 3.18Å
68K84.3Confident76Confident153 Ų15364.9 Ų64.967%0.66531%0.314SS*.Hα-helixtrans-78-23.1176.4-70.6172.9-175.5168.70112.9E64 D65E64-K68 WeakPolarHBondContact O-CB 3.12Å; E64-K68 WeakPolarHBondContact O-CG 3.47Å; E64-K68 PolarHBondContact O-N 3.07Å; D65-K68 PolarHBondContact O-N 2.81Å
69A85.6Confident75Confident28 Ų2859 Ų5923%0.23130%0.297CS..  trans-71.6137.6178.900000111.4D65 I66 V72 K91D65-A69 VanDerWaalsContact O-CB 3.22Å; D65-A69 WeakPolarHBondContact O-CB 3.33Å; D65-A69 PolarHBondContact O-N 2.85Å; I66-A69 PolarHBondContact O-N 2.94Å; A69-V72 HydrophobicContact CB-CG2 4.06Å; A69-K91 WeakPolarHBondContact O-CD 3.2Å; A69-K91 WeakPolarHBondContact O-CE 3.49Å; A69-K91 PolarHBondContact O-NZ 3.4Å
70D86.5Confident74.3Confident107 Ų10754.7 Ų54.757%0.57228%0.279SS*.SBendtrans-81-27.1168.1-58.1-61000111.3Y29 P92Y29-D70 HydrophobicContact CE1-CB 4.04Å; D70-P92 WeakPolarHBondContact O-CD 3.34Å; D70-P92 VanDerWaalsContact O-CG 3.3Å; D70-P92 WeakPolarHBondContact O-CG 3.37Å
71L86.9Confident74.2Confident27 Ų2748.4 Ų48.414%0.14126%0.257CS..  trans-143.1133-179.3179.562.1000110.6I73 P92 V94 L131 M134 L136L71-I73 HydrophobicContact CD2-CG1 4.39Å; L71-I73 HydrophobicContact CG-CG1 4.37Å; L71-P92 HydrophobicContact CD1-CB 3.92Å; L71-V94 HydrophobicContact CD1-CG2 3.79Å; L71-L131 HydrophobicContact CD2-CD2 4.17Å; L71-M134 HydrophobicContact CD2-CE 3.46Å; L71-M134 VanDerWaalsContact CD2-CE 3.46Å; L71-M134 HydrophobicContact CD2-SD 4.12Å; L71-L136 HydrophobicContact CB-CD1 4.23Å; L71-L136 HydrophobicContact CD1-CD1 4.2Å; L71-L136 HydrophobicContact CD1-CD2 3.63Å
72V87.6Confident74.2Confident7 Ų747 Ų474%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-113124.8171.9-176.90000109.5T2 I66 A69 T86 P92 L93 V94T2-V72 HydrophobicContact CG2-CG1 4.33Å; I66-V72 HydrophobicContact CG1-CG2 4.35Å; I66-V72 HydrophobicContact CG2-CG2 4.28Å; A69-V72 HydrophobicContact CB-CG2 4.06Å; V72-T86 HydrophobicContact CB-CG2 3.67Å; V72-T86 HydrophobicContact CG1-CG2 4.24Å; V72-T86 HydrophobicContact CG2-CG2 3.7Å; V72-P92 PolarHBondContact N-O 2.93Å; V72-L93 HydrophobicContact CB-CD1 4.22Å; V72-L93 HydrophobicContact CG1-CD1 4.08Å; V72-L93 CarbonylContact O-C 3.57Å; V72-L93 WeakPolarHBondContact O-CA 3.49Å; V72-V94 PolarHBondContact O-N 3.42Å
73I87.6Confident74.1Confident7 Ų745.5 Ų45.54%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-103.6118.9170.7-52.5177.6000107.1V1 T2 L71 V94 V96 L127 L131V1-I73 CarbonylContact C-O 3.56Å; V1-I73 WeakPolarHBondContact CA-O 3.39Å; V1-I73 HydrophobicContact CB-CB 4.42Å; V1-I73 HydrophobicContact CG1-CB 4.48Å; V1-I73 HydrophobicContact CG2-CB 3.88Å; V1-I73 HydrophobicContact CG2-CD1 4Å; V1-I73 HydrophobicContact CG2-CG1 4.28Å; T2-I73 PolarHBondContact N-O 2.87Å; L71-I73 HydrophobicContact CD2-CG1 4.39Å; L71-I73 HydrophobicContact CG-CG1 4.37Å; I73-V94 CarbonylContact C-O 3.59Å; I73-V94 WeakPolarHBondContact CA-O 3.15Å; I73-V94 HydrophobicContact CG1-CB 4.26Å; I73-V94 HydrophobicContact CG2-CG1 4.48Å; I73-V96 HydrophobicContact CG2-CG2 3.55Å; I73-L127 HydrophobicContact CD1-CD1 4.34Å; I73-L127 HydrophobicContact CG2-CD1 4.43Å; I73-L131 HydrophobicContact CD1-CD2 4.19Å
74S83.8Confident74Confident1 Ų141.7 Ų41.71%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-123156.7178.176.70000111.5T2 C83 L93 V94 V95 V96T2-S74 CarbonylContact O-C 3.6Å; T2-S74 VanDerWaalsContact O-CA 3.29Å; T2-S74 WeakPolarHBondContact O-CA 3.22Å; S74-C83 PolarHBondContact OG-SG 3.49Å; S74-L93 WeakPolarHBondContact OG-CD1 3.46Å; S74-V94 PolarHBondContact N-O 2.86Å; S74-V95 CarbonylContact O-C 3.5Å; S74-V95 WeakPolarHBondContact O-CA 3.47Å; S74-V96 PolarHBondContact O-N 3Å
75H79.9Confident73.7Confident8 Ų838.6 Ų38.64%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-90.4141163.6175.851.3000110.4T2 F8 L11 G77 V96 N98 Q106T2-H75 PolarHBondContact O-N 3.31Å; T2-H75 VanDerWaalsContact O-N 3.08Å; F8-H75 HydrophobicContact CD1-CB 3.83Å; F8-H75 AromaticContact CD1-CD2 3.88Å; F8-H75 AromaticContact CD1-CG 3.43Å; F8-H75 VanDerWaalsContact CD1-CG 3.43Å; F8-H75 AromaticContact CD1-ND1 3.49Å; F8-H75 WeakPolarHBondContact CD1-ND1 3.47Å; F8-H75 HydrophobicContact CE1-CB 4.34Å; F8-H75 AromaticContact CE1-CE1 3.96Å; F8-H75 AromaticContact CE1-CG 3.85Å; F8-H75 AromaticContact CE1-ND1 3.41Å; F8-H75 WeakPolarHBondContact CE1-ND1 3.45Å; L11-H75 HydrophobicContact CD2-CB 4.27Å; H75-G77 PolarHBondContact CD2-N 3.5Å; H75-G77 PolarHBondContact O-N 3Å; H75-V96 PolarHBondContact ND1-O 2.82Å; H75-N98 WeakPolarHBondContact CE1-CB 3.3Å; H75-Q106 PolarHBondContact CE1-OE1 2.81Å
76A64.8Low73.6Confident8 Ų837.4 Ų37.47%0.06620%0.204CC..  trans-6822.3176.400000114.9V95 I97 Q106A76-V95 HydrophobicContact CB-CG1 3.55Å; A76-I97 HydrophobicContact CB-CD1 4.17Å; A76-Q106 HydrophobicContact CB-CB 3.68Å; A76-Q106 HydrophobicContact CB-CG 3.99Å; A76-Q106 WeakPolarHBondContact O-CG 3.32Å; A76-Q106 PolarHBondContact O-NE2 2.89Å; A76-Q106 PolarHBondContact O-OE1 3.48Å
77G58.1Low73.4Confident2 Ų237.2 Ų37.22%0.02120%0.203CC..SBendtrans-68.8-177.3-173.100000114.9H75 G79 A80H75-G77 PolarHBondContact CD2-N 3.5Å; H75-G77 PolarHBondContact O-N 3Å; G77-G79 PolarHBondContact O-N 3.48Å; G77-A80 PolarHBondContact O-N 2.93Å
78K44.1Very low73.1Confident154 Ų15436.8 Ų36.867%0.6720%0.201SC*.THydrogen-bonded Turntrans-52.2-8.7173.2-109.8-178.5178-168.90115.1T6 V158T6-K78 HydrophobicContact CG2-CB 4Å; K78-V158 HydrophobicContact CB-CG1 4.11Å; K78-V158 HydrophobicContact CG-CG1 3.35Å
79G49.8Very low72.7Confident19 Ų1933.9 Ų33.920%0.19619%0.188CC..THydrogen-bonded Turntrans-108.639.517800000113.5G77 G81 S82G77-G79 PolarHBondContact O-N 3.48Å; G79-G81 PolarHBondContact O-N 3.22Å; G79-S82 PolarHBondContact O-N 2.77Å
80A55.6Low72.2Confident5 Ų533.7 Ų33.74%0.04119%0.189CC..THydrogen-bonded Turntrans-67.12.3179.500000114.9G77 S82 C83 L84 L154G77-A80 PolarHBondContact O-N 2.93Å; A80-S82 PolarHBondContact O-N 3.08Å; A80-C83 HydrophobicContact CB-CB 4.47Å; A80-C83 WeakPolarHBondContact O-CB 3.27Å; A80-C83 PolarHBondContact O-N 2.77Å; A80-L84 PolarHBondContact O-N 3.28Å; A80-L154 HydrophobicContact CB-CD1 3.36Å; A80-L154 HydrophobicContact CB-CD2 3.12Å; A80-L154 HydrophobicContact CB-CG 3.86Å
81G62.8Low72.1Confident49 Ų4931.1 Ų31.151%0.50517%0.173SC..Hα-helixtrans-52.7-39.1164.400000112.1G79 C83 L84 E85G79-G81 PolarHBondContact O-N 3.22Å; G81-C83 VanDerWaalsContact C-N 3.33Å; G81-C83 PolarHBondContact O-N 3.5Å; G81-L84 PolarHBondContact O-N 2.9Å; G81-E85 VanDerWaalsContact O-CB 3.28Å; G81-E85 WeakPolarHBondContact O-CB 3.38Å; G81-E85 PolarHBondContact O-N 3.32Å
82S67.5Low71.9Confident14 Ų1431.1 Ų31.110%0.09817%0.174CC..Hα-helixtrans-68.7-30.6176-52.30000113.2G79 A80 T86G79-S82 PolarHBondContact O-N 2.77Å; A80-S82 PolarHBondContact O-N 3.08Å; S82-T86 PolarHBondContact O-N 3.35Å; S82-T86 PolarHBondContact O-OG1 2.99Å
83C71.5Confident71.8Confident7 Ų730.8 Ų30.85%0.04717%0.172CC..Hα-helixtrans-69-47.6174.2-59.10000110.3S74 A80 G81 E85 T86 L87 L93 F150S74-C83 PolarHBondContact OG-SG 3.49Å; A80-C83 HydrophobicContact CB-CB 4.47Å; A80-C83 WeakPolarHBondContact O-CB 3.27Å; A80-C83 PolarHBondContact O-N 2.77Å; G81-C83 VanDerWaalsContact C-N 3.33Å; G81-C83 PolarHBondContact O-N 3.5Å; C83-E85 VanDerWaalsContact C-N 3.34Å; C83-E85 PolarHBondContact O-N 3.42Å; C83-T86 WeakPolarHBondContact O-CB 3.37Å; C83-T86 PolarHBondContact O-N 3.24Å; C83-L87 WeakPolarHBondContact O-CG 3.37Å; C83-L87 PolarHBondContact O-N 3.27Å; C83-L93 HydrophobicContact CB-CD2 3.89Å; C83-F150 HydrophobicContact CB-CE1 4.37Å; C83-F150 HydrophobicContact CB-CZ 3.89Å
84L72.6Confident71.8Confident27 Ų2730.5 Ų30.514%0.14117%0.171CC..Hα-helixtrans-58.6-48.9177.2-177.962000110.5A80 G81 T86 L87 E88 P147 F150A80-L84 PolarHBondContact O-N 3.28Å; G81-L84 PolarHBondContact O-N 2.9Å; L84-T86 PolarHBondContact O-N 3.19Å; L84-L87 CarbonylContact O-C 3.43Å; L84-L87 PolarHBondContact O-N 3.48Å; L84-E88 HydrophobicContact CD1-CG 4.06Å; L84-E88 HydrophobicContact CG-CG 4.13Å; L84-E88 WeakPolarHBondContact O-CB 3.26Å; L84-E88 WeakPolarHBondContact O-CG 3.48Å; L84-E88 PolarHBondContact O-N 3.05Å; L84-P147 HydrophobicContact CD1-CB 3.83Å; L84-P147 HydrophobicContact CD2-CB 4.32Å; L84-F150 HydrophobicContact CB-CD1 3.71Å; L84-F150 HydrophobicContact CB-CE1 3.54Å; L84-F150 HydrophobicContact CD1-CB 4Å; L84-F150 HydrophobicContact CD1-CD1 3.41Å; L84-F150 VanDerWaalsContact CD1-CD1 3.41Å; L84-F150 HydrophobicContact CD1-CE1 4.1Å; L84-F150 HydrophobicContact CD1-CG 3.92Å; L84-F150 HydrophobicContact CD2-CD1 4.4Å; L84-F150 HydrophobicContact CG-CD1 4Å; L84-F150 HydrophobicContact CG-CE1 4.34Å
85E74.6Confident71.9Confident44 Ų4430.7 Ų30.721%0.20617%0.172CC..Hα-helixtrans-62.1-32.8-177-155.7172.390.200111.7K63 I66 G81 C83 K89K63-E85 WeakPolarHBondContact CE-OE2 3.43Å; K63-E85 HydrophobicContact CG-CG 4.01Å; K63-E85 WeakPolarHBondContact CG-OE1 3.34Å; K63-E85 PolarHBondContact N-OE1 3.27Å; I66-E85 HydrophobicContact CD1-CB 4.19Å; I66-E85 HydrophobicContact CD1-CG 4.35Å; G81-E85 VanDerWaalsContact O-CB 3.28Å; G81-E85 WeakPolarHBondContact O-CB 3.38Å; G81-E85 PolarHBondContact O-N 3.32Å; C83-E85 VanDerWaalsContact C-N 3.34Å; C83-E85 PolarHBondContact O-N 3.42Å; E85-K89 WeakPolarHBondContact O-CB 3.1Å; E85-K89 WeakPolarHBondContact O-CG 3.2Å; E85-K89 PolarHBondContact O-N 3.28Å
86T78.9Confident72.2Confident0 Ų030.3 Ų30.30%017%0.17CC..Hα-helixtrans-69.3-47.6172.1-55.80000111.8I66 V72 S82 C83 L84 K89 G90 K91 L93I66-T86 HydrophobicContact CG2-CG2 4.4Å; V72-T86 HydrophobicContact CB-CG2 3.67Å; V72-T86 HydrophobicContact CG1-CG2 4.24Å; V72-T86 HydrophobicContact CG2-CG2 3.7Å; S82-T86 PolarHBondContact O-N 3.35Å; S82-T86 PolarHBondContact O-OG1 2.99Å; C83-T86 WeakPolarHBondContact O-CB 3.37Å; C83-T86 PolarHBondContact O-N 3.24Å; L84-T86 PolarHBondContact O-N 3.19Å; T86-K89 PolarHBondContact O-N 3.11Å; T86-G90 PolarHBondContact O-N 2.96Å; T86-K91 HydrophobicContact CG2-CB 3.64Å; T86-K91 PolarHBondContact O-N 3.27Å; T86-L93 HydrophobicContact CG2-CB 4.02Å; T86-L93 HydrophobicContact CG2-CD1 3.98Å; T86-L93 HydrophobicContact CG2-CG 4.5Å
87L76.6Confident73Confident2 Ų230.7 Ų30.71%0.0117%0.171CC..Hα-helixtrans-62.8-42.5178.9-70.5170.2000111.2C83 L84 K89 G90 L93 L113 H118 Y142 F150C83-L87 WeakPolarHBondContact O-CG 3.37Å; C83-L87 PolarHBondContact O-N 3.27Å; L84-L87 CarbonylContact O-C 3.43Å; L84-L87 PolarHBondContact O-N 3.48Å; L87-K89 PolarHBondContact O-N 2.82Å; L87-G90 WeakPolarHBondContact O-CA 3.25Å; L87-G90 PolarHBondContact O-N 3.46Å; L87-L93 HydrophobicContact CD1-CD2 4.22Å; L87-L93 HydrophobicContact CD2-CB 4.43Å; L87-L93 HydrophobicContact CD2-CD2 4.15Å; L87-L93 HydrophobicContact CG-CD2 3.92Å; L87-L113 HydrophobicContact CD1-CD1 4.42Å; L87-H118 HydrophobicContact CD2-CB 4.47Å; L87-Y142 HydrophobicContact CB-CD1 4.32Å; L87-Y142 HydrophobicContact CB-CG 4.09Å; L87-Y142 HydrophobicContact CD2-CG 4.48Å; L87-Y142 WeakPolarHBondContact O-CB 3.03Å; L87-F150 HydrophobicContact CD1-CD2 4.03Å; L87-F150 HydrophobicContact CD1-CE2 3.59Å; L87-F150 HydrophobicContact CD1-CZ 3.92Å
88E75.9Confident73.9Confident103 Ų10331.2 Ų31.248%0.48117%0.173SC..Hα-helixtrans-61-32.8175.3-75.7-171109.600112.6L84 G90L84-E88 HydrophobicContact CD1-CG 4.06Å; L84-E88 HydrophobicContact CG-CG 4.13Å; L84-E88 WeakPolarHBondContact O-CB 3.26Å; L84-E88 WeakPolarHBondContact O-CG 3.48Å; L84-E88 PolarHBondContact O-N 3.05Å; E88-G90 PolarHBondContact O-N 3.23Å
89K75.6Confident75.3Confident93 Ų9329.8 Ų29.840%0.40417%0.169SC..THydrogen-bonded Turntrans-79-2.3174-69.7-74.8-177.4169.60113I66 E85 T86 L87 K91I66-K89 HydrophobicContact CG2-CB 4.26Å; I66-K89 HydrophobicContact CG2-CG 4.24Å; E85-K89 WeakPolarHBondContact O-CB 3.1Å; E85-K89 WeakPolarHBondContact O-CG 3.2Å; E85-K89 PolarHBondContact O-N 3.28Å; T86-K89 PolarHBondContact O-N 3.11Å; L87-K89 PolarHBondContact O-N 2.82Å; K89-K91 HydrophobicContact CB-CG 3.91Å; K89-K91 PolarHBondContact O-N 3.05Å
90G75.7Confident76Confident24 Ų2436 Ų3625%0.24719%0.191CC..THydrogen-bonded Turntrans64.126.6-176.800000112.6T86 L87 E88T86-G90 PolarHBondContact O-N 2.96Å; L87-G90 WeakPolarHBondContact O-CA 3.25Å; L87-G90 PolarHBondContact O-N 3.46Å; E88-G90 PolarHBondContact O-N 3.23Å
91K83.5Confident76.3Confident53 Ų5340 Ų4023%0.2321%0.211CC..  trans-90.7146.6-176.3-70.7-68.2-169157.70111.1I66 Q67 A69 T86 K89 L93I66-K91 HydrophobicContact CG2-CG 4.34Å; Q67-K91 VanDerWaalsContact O-CE 3.25Å; Q67-K91 WeakPolarHBondContact O-CE 3.45Å; Q67-K91 PolarHBondContact O-NZ 3.18Å; A69-K91 WeakPolarHBondContact O-CD 3.2Å; A69-K91 WeakPolarHBondContact O-CE 3.49Å; A69-K91 PolarHBondContact O-NZ 3.4Å; T86-K91 HydrophobicContact CG2-CB 3.64Å; T86-K91 PolarHBondContact O-N 3.27Å; K89-K91 HydrophobicContact CB-CG 3.91Å; K89-K91 PolarHBondContact O-N 3.05Å; K91-L93 PolarHBondContact O-N 3.4Å
92P84.4Confident75.6Confident26 Ų2645.7 Ų45.717%0.16923%0.226CC..  trans-58.4126.2174.3-24.135.1000111.4D70 L71 V72 L136 L139D70-P92 WeakPolarHBondContact O-CD 3.34Å; D70-P92 VanDerWaalsContact O-CG 3.3Å; D70-P92 WeakPolarHBondContact O-CG 3.37Å; L71-P92 HydrophobicContact CD1-CB 3.92Å; V72-P92 PolarHBondContact N-O 2.93Å; P92-L136 HydrophobicContact CB-CD1 4.49Å; P92-L136 HydrophobicContact CB-CD2 3.96Å; P92-L136 HydrophobicContact CG-CB 4.42Å; P92-L139 HydrophobicContact CB-CD1 3.71Å
93L85.3Confident75.1Confident0 Ų049.2 Ų49.20%024%0.244CC..EExtended strand (participates in β ladder)trans-119.3130.6-178.3-177.365.9000110.7V72 S74 C83 T86 L87 K91 V95 L119 F120V72-L93 HydrophobicContact CB-CD1 4.22Å; V72-L93 HydrophobicContact CG1-CD1 4.08Å; V72-L93 CarbonylContact O-C 3.57Å; V72-L93 WeakPolarHBondContact O-CA 3.49Å; S74-L93 WeakPolarHBondContact OG-CD1 3.46Å; C83-L93 HydrophobicContact CB-CD2 3.89Å; T86-L93 HydrophobicContact CG2-CB 4.02Å; T86-L93 HydrophobicContact CG2-CD1 3.98Å; T86-L93 HydrophobicContact CG2-CG 4.5Å; L87-L93 HydrophobicContact CD1-CD2 4.22Å; L87-L93 HydrophobicContact CD2-CB 4.43Å; L87-L93 HydrophobicContact CD2-CD2 4.15Å; L87-L93 HydrophobicContact CG-CD2 3.92Å; K91-L93 PolarHBondContact O-N 3.4Å; L93-V95 HydrophobicContact CD2-CG2 4.02Å; L93-V95 HydrophobicContact CG-CG2 4.07Å; L93-L119 HydrophobicContact CB-CB 4.17Å; L93-L119 HydrophobicContact CD2-CD2 4.18Å; L93-L119 HydrophobicContact CG-CB 4.47Å; L93-L119 WeakPolarHBondContact O-CA 3.21Å; L93-L119 WeakPolarHBondContact O-CB 3.38Å; L93-F120 PolarHBondContact O-N 3.43Å
94V87.3Confident74.6Confident1 Ų154.5 Ų54.51%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-115.7121.5170.3177.40000108.6L71 V72 I73 S74 F120 L127 L130 M134L71-V94 HydrophobicContact CD1-CG2 3.79Å; V72-V94 PolarHBondContact O-N 3.42Å; I73-V94 CarbonylContact C-O 3.59Å; I73-V94 WeakPolarHBondContact CA-O 3.15Å; I73-V94 HydrophobicContact CG1-CB 4.26Å; I73-V94 HydrophobicContact CG2-CG1 4.48Å; S74-V94 PolarHBondContact N-O 2.86Å; V94-F120 CarbonylContact C-O 3.52Å; V94-F120 WeakPolarHBondContact CA-O 3.35Å; V94-F120 HydrophobicContact CG2-CB 4.22Å; V94-L127 HydrophobicContact CG1-CD1 4.4Å; V94-L130 HydrophobicContact CG1-CD2 3.74Å; V94-M134 HydrophobicContact CG2-SD 4.27Å
95V85.3Confident74.3Confident5 Ų558.6 Ų58.63%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-101115.7-177.7178.70000110.1S74 A76 L93 I97 A110 L119 F120 Y121 C122S74-V95 CarbonylContact O-C 3.5Å; S74-V95 WeakPolarHBondContact O-CA 3.47Å; A76-V95 HydrophobicContact CB-CG1 3.55Å; L93-V95 HydrophobicContact CD2-CG2 4.02Å; L93-V95 HydrophobicContact CG-CG2 4.07Å; V95-I97 HydrophobicContact CG1-CD1 3.93Å; V95-A110 HydrophobicContact CB-CB 4.46Å; V95-A110 HydrophobicContact CG1-CB 4.17Å; V95-L119 HydrophobicContact CB-CD1 4.29Å; V95-L119 HydrophobicContact CG2-CD1 3.94Å; V95-L119 HydrophobicContact CG2-CD2 3.79Å; V95-L119 HydrophobicContact CG2-CG 4.37Å; V95-F120 PolarHBondContact N-O 3.48Å; V95-Y121 CarbonylContact O-C 3.6Å; V95-Y121 WeakPolarHBondContact O-CA 3.28Å; V95-Y121 WeakPolarHBondContact O-CB 3.13Å; V95-C122 PolarHBondContact O-N 2.91Å
96V85.8Confident73.9Confident0 Ų057.4 Ų57.40%028%0.284CS..EExtended strand (participates in β ladder)trans-89.5118.6174.6-167.40000109.7F8 L11 I73 S74 H75 C122 L127F8-V96 HydrophobicContact CE1-CG1 4.2Å; L11-V96 HydrophobicContact CD1-CB 4.05Å; L11-V96 HydrophobicContact CD1-CG1 3.9Å; L11-V96 HydrophobicContact CD1-CG2 3.74Å; L11-V96 HydrophobicContact CD2-CB 4.06Å; L11-V96 HydrophobicContact CD2-CG2 4.11Å; I73-V96 HydrophobicContact CG2-CG2 3.55Å; S74-V96 PolarHBondContact O-N 3Å; H75-V96 PolarHBondContact ND1-O 2.82Å; V96-C122 CarbonylContact C-O 3.52Å; V96-C122 VanDerWaalsContact CA-O 3.3Å; V96-C122 WeakPolarHBondContact CA-O 3.13Å; V96-L127 HydrophobicContact CG2-CD1 4.33Å
97I82.5Confident73.7Confident17 Ų1759.5 Ų59.59%0.08730%0.295CS..EExtended strand (participates in β ladder)trans-82.4129.4175.6-51.7-57.9000109A76 V95 E99 L107 A110 Y121 C122A76-I97 HydrophobicContact CB-CD1 4.17Å; V95-I97 HydrophobicContact CG1-CD1 3.93Å; I97-E99 PolarHBondContact O-N 2.96Å; I97-L107 HydrophobicContact CD1-CD1 4.5Å; I97-L107 HydrophobicContact CG1-CD1 4.1Å; I97-L107 HydrophobicContact CG2-CB 4.48Å; I97-A110 HydrophobicContact CD1-CB 3.85Å; I97-Y121 HydrophobicContact CG1-CD2 4.33Å; I97-C122 PolarHBondContact N-O 3.21Å
98N77.7Confident73.7Confident12 Ų1264 Ų646%0.06432%0.316CS..  trans-86.7106.8172.2-173.2-15.5000109F8 H75 K100 L101F8-N98 HydrophobicContact CD1-CB 4.36Å; F8-N98 HydrophobicContact CD2-CB 4.44Å; F8-N98 WeakPolarHBondContact CD2-ND2 3.22Å; F8-N98 HydrophobicContact CE1-CB 3.75Å; F8-N98 HydrophobicContact CE2-CB 3.82Å; F8-N98 VanDerWaalsContact CE2-ND2 3.32Å; F8-N98 WeakPolarHBondContact CE2-ND2 3.5Å; F8-N98 HydrophobicContact CZ-CB 3.45Å; F8-N98 VanDerWaalsContact CZ-CB 3.45Å; H75-N98 WeakPolarHBondContact CE1-CB 3.3Å; N98-K100 PolarHBondContact O-N 2.78Å; N98-K100 WeakPolarHBondContact OD1-CA 3.29Å; N98-K100 VanDerWaalsContact OD1-CB 3.3Å; N98-K100 WeakPolarHBondContact OD1-CB 3.47Å; N98-K100 PolarHBondContact OD1-N 3.28Å; N98-L101 HydrophobicContact CB-CB 4.16Å; N98-L101 WeakPolarHBondContact ND2-CD1 3.32Å; N98-L101 PolarHBondContact O-N 3.11Å; N98-L101 PolarHBondContact OD1-N 3.45Å
99E72Confident73.6Confident125 Ų12560 Ų6058%0.58430%0.298SS*.SBendtrans-68-22.1178.6-62-178.993.200112.7I97 T123I97-E99 PolarHBondContact O-N 2.96Å; E99-T123 HydrophobicContact CG-CG2 3.74Å; E99-T123 VanDerWaalsContact OE2-CB 3.27Å; E99-T123 WeakPolarHBondContact OE2-CB 3.41Å; E99-T123 WeakPolarHBondContact OE2-CG2 3.07Å; E99-T123 PolarHBondContact OE2-OG1 3.34Å
100K65.8Low73.7Confident149 Ų14955.7 Ų55.765%0.64828%0.28SS*.SBendtrans-81.8-34179.3-56.9-177.3-178.9171.60112.8D10 N98 M102D10-K100 IonicContact OD1-NZ 2.76Å; D10-K100 PolarHBondContact OD1-NZ 3.01Å; D10-K100 WeakPolarHBondContact OD2-CD 3.39Å; D10-K100 WeakPolarHBondContact OD2-CE 3.45Å; D10-K100 IonicContact OD2-NZ 2.79Å; D10-K100 PolarHBondContact OD2-NZ 2.91Å; N98-K100 PolarHBondContact O-N 2.78Å; N98-K100 WeakPolarHBondContact OD1-CA 3.29Å; N98-K100 VanDerWaalsContact OD1-CB 3.3Å; N98-K100 WeakPolarHBondContact OD1-CB 3.47Å; N98-K100 PolarHBondContact OD1-N 3.28Å; K100-M102 VanDerWaalsContact C-N 3.35Å; K100-M102 PolarHBondContact O-N 2.79Å
101L61.7Low74Confident88 Ų8858.5 Ų58.546%0.46129%0.285SS..SBendtrans-87.979.5170.3-79.7167.1000107.6N98 N103N98-L101 HydrophobicContact CB-CB 4.16Å; N98-L101 WeakPolarHBondContact ND2-CD1 3.32Å; N98-L101 PolarHBondContact O-N 3.11Å; N98-L101 PolarHBondContact OD1-N 3.45Å; L101-N103 PolarHBondContact O-N 2.79Å
102M47.8Very low73.7Confident170 Ų17060.3 Ų60.384%0.83730%0.295SS*.  trans-59.178.1178.4-90.1-173.1165.200112.5K100K100-M102 VanDerWaalsContact C-N 3.35Å; K100-M102 PolarHBondContact O-N 2.79Å
103N57.8Low73.4Confident88 Ų8859.4 Ų59.447%0.47129%0.288SS..  trans-118.790.8166.4-7716.4000107.8L101 H105 Q106L101-N103 PolarHBondContact O-N 2.79Å; N103-H105 PolarHBondContact O-N 2.71Å; N103-Q106 HydrophobicContact CB-CG 4.38Å; N103-Q106 PolarHBondContact O-N 2.82Å
104N59.6Low73.4Confident118 Ų11863 Ų6363%0.63131%0.305SS*.Hα-helixtrans-47.5-29.7176.7-72.8-24.1000112.6Q106 L107 E108N104-Q106 VanDerWaalsContact C-N 3.32Å; N104-Q106 PolarHBondContact O-N 3.08Å; N104-L107 WeakPolarHBondContact O-CB 3.48Å; N104-L107 PolarHBondContact O-N 2.81Å; N104-E108 WeakPolarHBondContact O-CG 3.37Å; N104-E108 PolarHBondContact O-N 2.79Å
105H66.5Low73.1Confident112 Ų11271.4 Ų71.452%0.51934%0.341SS..Hα-helixtrans-62.6-31.6-178.9-53-68.6000114.7N103 L109 V157N103-H105 PolarHBondContact O-N 2.71Å; H105-L109 PolarHBondContact O-N 2.87Å; H105-V157 HydrophobicContact CB-CB 4.31Å; H105-V157 HydrophobicContact CB-CG1 3.58Å; H105-V157 HydrophobicContact CB-CG2 4.21Å
106Q67.4Low72.8Confident19 Ų1975.4 Ų75.49%0.08936%0.36CS..Hα-helixtrans-69.1-42.2175.4-70-175.71.100111.5H75 A76 N103 N104 E108 L109 A110H75-Q106 PolarHBondContact CE1-OE1 2.81Å; A76-Q106 HydrophobicContact CB-CB 3.68Å; A76-Q106 HydrophobicContact CB-CG 3.99Å; A76-Q106 WeakPolarHBondContact O-CG 3.32Å; A76-Q106 PolarHBondContact O-NE2 2.89Å; A76-Q106 PolarHBondContact O-OE1 3.48Å; N103-Q106 HydrophobicContact CB-CG 4.38Å; N103-Q106 PolarHBondContact O-N 2.82Å; N104-Q106 VanDerWaalsContact C-N 3.32Å; N104-Q106 PolarHBondContact O-N 3.08Å; Q106-E108 VanDerWaalsContact C-N 3.33Å; Q106-L109 PolarHBondContact O-N 3.29Å; Q106-A110 PolarHBondContact O-N 2.95Å
107L74.6Confident72.5Confident45 Ų4576.5 Ų76.524%0.23637%0.371CS..Hα-helixtrans-63.7-40.5176.3177.364.9000110.9I97 N104 L109 A110 K111 Y121I97-L107 HydrophobicContact CD1-CD1 4.5Å; I97-L107 HydrophobicContact CG1-CD1 4.1Å; I97-L107 HydrophobicContact CG2-CB 4.48Å; N104-L107 WeakPolarHBondContact O-CB 3.48Å; N104-L107 PolarHBondContact O-N 2.81Å; L107-L109 PolarHBondContact O-N 2.76Å; L107-A110 PolarHBondContact O-N 2.76Å; L107-K111 HydrophobicContact CD1-CG 4.24Å; L107-K111 HydrophobicContact CG-CD 4.16Å; L107-K111 HydrophobicContact CG-CG 4.35Å; L107-K111 WeakPolarHBondContact O-CB 3.34Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.29Å; L107-K111 PolarHBondContact O-N 2.72Å; L107-Y121 HydrophobicContact CD1-CD2 4.2Å; L107-Y121 HydrophobicContact CD1-CE2 4.04Å
108E75.6Confident72.4Confident95 Ų9576.9 Ų76.944%0.44437%0.372SS..Hα-helixtrans-62.6-41.3177.4-68.4-60.3103.300112.3N104 Q106 K111 Q112N104-E108 WeakPolarHBondContact O-CG 3.37Å; N104-E108 PolarHBondContact O-N 2.79Å; Q106-E108 VanDerWaalsContact C-N 3.33Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 WeakPolarHBondContact OE1-CD 3.09Å; E108-K111 IonicContact OE1-NZ 2.86Å; E108-K111 PolarHBondContact OE1-NZ 2.68Å; E108-Q112 WeakPolarHBondContact O-CB 3.32Å; E108-Q112 PolarHBondContact O-N 3.1Å
109L74.6Confident72.7Confident20 Ų2076.4 Ų76.411%0.10537%0.37CS..Hα-helixtrans-60.9-48.9173.2175.863.2000111.3H105 Q106 L107 K111 Q112 L113 F150 F153 L154H105-L109 PolarHBondContact O-N 2.87Å; Q106-L109 PolarHBondContact O-N 3.29Å; L107-L109 PolarHBondContact O-N 2.76Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3.21Å; L109-Q112 PolarHBondContact O-N 3.14Å; L109-L113 HydrophobicContact CD1-CD1 3.64Å; L109-L113 HydrophobicContact CD1-CG 4.37Å; L109-L113 HydrophobicContact CG-CD1 3.96Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-N 3.11Å; L109-F150 HydrophobicContact CD1-CD2 4.23Å; L109-F150 HydrophobicContact CD1-CE2 4.05Å; L109-F150 HydrophobicContact CD2-CE2 4.12Å; L109-F150 HydrophobicContact CD2-CZ 4.31Å; L109-F150 HydrophobicContact CG-CE2 4.43Å; L109-F153 HydrophobicContact CB-CD1 4.22Å; L109-F153 HydrophobicContact CB-CE1 3.98Å; L109-F153 HydrophobicContact CD1-CD1 3.63Å; L109-F153 HydrophobicContact CD1-CE1 4.03Å; L109-F153 HydrophobicContact CD1-CG 4.35Å; L109-F153 HydrophobicContact CG-CD1 4.41Å; L109-L154 HydrophobicContact CD2-CD2 3.9Å; L109-L154 HydrophobicContact CD2-CG 4.35Å
110A77.7Confident73.4Confident2 Ų271.8 Ų71.82%0.01735%0.348CS..Hα-helixtrans-62.6-41.7-179.200000111.8V95 I97 Q106 L107 H114 L119 Y121V95-A110 HydrophobicContact CB-CB 4.46Å; V95-A110 HydrophobicContact CG1-CB 4.17Å; I97-A110 HydrophobicContact CD1-CB 3.85Å; Q106-A110 PolarHBondContact O-N 2.95Å; L107-A110 PolarHBondContact O-N 2.76Å; A110-H114 WeakPolarHBondContact O-CB 3.36Å; A110-H114 PolarHBondContact O-N 3.38Å; A110-L119 HydrophobicContact CB-CD1 4.36Å; A110-L119 WeakPolarHBondContact O-CD1 3.38Å; A110-Y121 HydrophobicContact CB-CD1 4.4Å; A110-Y121 HydrophobicContact CB-CG 4.12Å
111K80.6Confident74.4Confident83 Ų8368.7 Ų68.736%0.36133%0.333SS..Hα-helixtrans-61.5-43.9174.5-78.1174.5-177.8165.80112.3L107 E108 L109 H114 K115 Y121L107-K111 HydrophobicContact CD1-CG 4.24Å; L107-K111 HydrophobicContact CG-CD 4.16Å; L107-K111 HydrophobicContact CG-CG 4.35Å; L107-K111 WeakPolarHBondContact O-CB 3.34Å; L107-K111 VanDerWaalsContact O-CG 3.29Å; L107-K111 WeakPolarHBondContact O-CG 3.29Å; L107-K111 PolarHBondContact O-N 2.72Å; E108-K111 PolarHBondContact O-N 2.86Å; E108-K111 WeakPolarHBondContact OE1-CD 3.09Å; E108-K111 IonicContact OE1-NZ 2.86Å; E108-K111 PolarHBondContact OE1-NZ 2.68Å; L109-K111 VanDerWaalsContact C-N 3.34Å; L109-K111 PolarHBondContact O-N 3.21Å; K111-H114 PolarHBondContact O-N 3.39Å; K111-K115 VanDerWaalsContact O-CB 3.29Å; K111-K115 WeakPolarHBondContact O-CB 3.4Å; K111-K115 PolarHBondContact O-N 3.22Å; K111-Y121 HydrophobicContact CG-CE1 4.3Å
112Q78.8Confident75.7Confident92 Ų9264.7 Ų64.743%0.4331%0.312SS..Hα-helixtrans-62.2-48.6-179.2-17664.528.700110.8E108 L109 H114 K115 E116E108-Q112 WeakPolarHBondContact O-CB 3.32Å; E108-Q112 PolarHBondContact O-N 3.1Å; L109-Q112 PolarHBondContact O-N 3.14Å; Q112-H114 VanDerWaalsContact C-N 3.35Å; Q112-H114 PolarHBondContact O-N 3.45Å; Q112-K115 WeakPolarHBondContact O-CB 3.44Å; Q112-K115 PolarHBondContact O-N 3.43Å; Q112-E116 WeakPolarHBondContact O-CG 3.4Å; Q112-E116 PolarHBondContact O-N 3.49Å
113L77.8Confident77.6Confident6 Ų657.8 Ų57.83%0.03128%0.28CS..Hα-helixtrans-71.2-32.5-179.5-70.2161.2000112.5L87 L109 E116 G117 H118 L119 Y142 F150L87-L113 HydrophobicContact CD1-CD1 4.42Å; L109-L113 HydrophobicContact CD1-CD1 3.64Å; L109-L113 HydrophobicContact CD1-CG 4.37Å; L109-L113 HydrophobicContact CG-CD1 3.96Å; L109-L113 PolarHBondContact O-N 3.34Å; L109-L113 VanDerWaalsContact O-N 3.11Å; L113-E116 PolarHBondContact O-N 3.04Å; L113-G117 PolarHBondContact O-N 2.95Å; L113-H118 HydrophobicContact CB-CB 4.47Å; L113-H118 HydrophobicContact CD2-CB 4.34Å; L113-H118 PolarHBondContact O-N 2.89Å; L113-L119 HydrophobicContact CB-CD1 4.3Å; L113-L119 HydrophobicContact CB-CD2 3.36Å; L113-L119 HydrophobicContact CB-CG 3.51Å; L113-L119 HydrophobicContact CD1-CD2 3.45Å; L113-L119 VanDerWaalsContact CD1-CD2 3.45Å; L113-L119 HydrophobicContact CG-CD2 4.02Å; L113-Y142 HydrophobicContact CD2-CD2 4.26Å; L113-Y142 HydrophobicContact CD2-CE2 3.78Å; L113-F150 HydrophobicContact CD1-CD2 3.9Å; L113-F150 HydrophobicContact CD1-CE2 3.46Å; L113-F150 VanDerWaalsContact CD1-CE2 3.46Å
114H83.8Confident78.8Confident75 Ų7554.8 Ų54.835%0.34727%0.265SS..Hα-helixtrans-64.7-41.2170.8-177.964.5000112A110 K111 Q112 E116 G117 L119 F120 Y121A110-H114 WeakPolarHBondContact O-CB 3.36Å; A110-H114 PolarHBondContact O-N 3.38Å; K111-H114 PolarHBondContact O-N 3.39Å; Q112-H114 VanDerWaalsContact C-N 3.35Å; Q112-H114 PolarHBondContact O-N 3.45Å; H114-E116 VanDerWaalsContact C-N 3.26Å; H114-E116 PolarHBondContact O-N 3.32Å; H114-G117 WeakPolarHBondContact O-CA 3.36Å; H114-G117 PolarHBondContact O-N 3.47Å; H114-L119 VanDerWaalsContact CA-O 3.31Å; H114-L119 WeakPolarHBondContact CA-O 3.45Å; H114-L119 HydrophobicContact CB-CD1 4.33Å; H114-L119 PolarHBondContact ND1-O 3.36Å; H114-F120 AromaticContact CE1-CD1 3.65Å; H114-F120 AromaticContact CE1-CE1 3.97Å; H114-F120 AromaticContact ND1-CD1 3.83Å; H114-Y121 HydrophobicContact CB-CD1 3.66Å; H114-Y121 HydrophobicContact CB-CE1 3.8Å; H114-Y121 AromaticContact CD2-CE1 3.6Å; H114-Y121 AromaticContact CG-CD1 3.79Å; H114-Y121 AromaticContact CG-CE1 3.7Å
115K82.6Confident80Confident179 Ų17953.9 Ų53.978%0.77827%0.268SS*.Hα-helixtrans-62.8-33.8174.7-174.4179.1-178.91800112.3K111 Q112K111-K115 VanDerWaalsContact O-CB 3.29Å; K111-K115 WeakPolarHBondContact O-CB 3.4Å; K111-K115 PolarHBondContact O-N 3.22Å; Q112-K115 WeakPolarHBondContact O-CB 3.44Å; Q112-K115 PolarHBondContact O-N 3.43Å
116E77.3Confident81Confident88 Ų8852 Ų5241%0.41127%0.265SS..Hα-helixtrans-77.4-10.9172.9-67.5-179.4144.400112.9Q112 L113 H114 H118Q112-E116 WeakPolarHBondContact O-CG 3.4Å; Q112-E116 PolarHBondContact O-N 3.49Å; L113-E116 PolarHBondContact O-N 3.04Å; H114-E116 VanDerWaalsContact C-N 3.26Å; H114-E116 PolarHBondContact O-N 3.32Å; E116-H118 WeakPolarHBondContact CB-CD2 3.48Å; E116-H118 IonicContact OE2-CD2 3.74Å
117G80.8Confident81.9Confident23 Ų2351.2 Ų51.224%0.23726%0.261CS..THydrogen-bonded Turntrans79.622.6179.400000113.7L113 H114 K140L113-G117 PolarHBondContact O-N 2.95Å; H114-G117 WeakPolarHBondContact O-CA 3.36Å; H114-G117 PolarHBondContact O-N 3.47Å; G117-K140 PolarHBondContact O-N 3Å
118H79.5Confident82.3Confident25 Ų2550.1 Ų50.112%0.11626%0.257CS..SBendtrans-93.7-23.9-176.6-67.8-53000114.1L87 L113 E116 K140 Y142L87-H118 HydrophobicContact CD2-CB 4.47Å; L113-H118 HydrophobicContact CB-CB 4.47Å; L113-H118 HydrophobicContact CD2-CB 4.34Å; L113-H118 PolarHBondContact O-N 2.89Å; E116-H118 WeakPolarHBondContact CB-CD2 3.48Å; E116-H118 IonicContact OE2-CD2 3.74Å; H118-K140 PolarHBondContact ND1-O 3.49Å; H118-Y142 HydrophobicContact CB-CD2 4.16Å; H118-Y142 AromaticContact CD2-CD2 3.69Å; H118-Y142 AromaticContact CG-CD2 3.71Å; H118-Y142 AromaticContact ND1-CD2 4Å; H118-Y142 AromaticContact NE2-CD2 3.98Å
119L84.3Confident82.8Confident3 Ų347.4 Ų47.42%0.01625%0.254CS..  trans-149.1163.6177.864.883.3000112.2L93 V95 A110 L113 H114L93-L119 HydrophobicContact CB-CB 4.17Å; L93-L119 HydrophobicContact CD2-CD2 4.18Å; L93-L119 HydrophobicContact CG-CB 4.47Å; L93-L119 WeakPolarHBondContact O-CA 3.21Å; L93-L119 WeakPolarHBondContact O-CB 3.38Å; V95-L119 HydrophobicContact CB-CD1 4.29Å; V95-L119 HydrophobicContact CG2-CD1 3.94Å; V95-L119 HydrophobicContact CG2-CD2 3.79Å; V95-L119 HydrophobicContact CG2-CG 4.37Å; A110-L119 HydrophobicContact CB-CD1 4.36Å; A110-L119 WeakPolarHBondContact O-CD1 3.38Å; L113-L119 HydrophobicContact CB-CD1 4.3Å; L113-L119 HydrophobicContact CB-CD2 3.36Å; L113-L119 HydrophobicContact CB-CG 3.51Å; L113-L119 HydrophobicContact CD1-CD2 3.45Å; L113-L119 VanDerWaalsContact CD1-CD2 3.45Å; L113-L119 HydrophobicContact CG-CD2 4.02Å; H114-L119 VanDerWaalsContact CA-O 3.31Å; H114-L119 WeakPolarHBondContact CA-O 3.45Å; H114-L119 HydrophobicContact CB-CD1 4.33Å; H114-L119 PolarHBondContact ND1-O 3.36Å
120F87.5Confident83.3Confident28 Ų2847.9 Ų47.912%0.12326%0.256CS..EExtended strand (participates in β ladder)trans-102154.5163.6-68-69.9000110.2L93 V94 V95 H114 L130 M134 L139L93-F120 PolarHBondContact O-N 3.43Å; V94-F120 CarbonylContact C-O 3.52Å; V94-F120 WeakPolarHBondContact CA-O 3.35Å; V94-F120 HydrophobicContact CG2-CB 4.22Å; V95-F120 PolarHBondContact N-O 3.48Å; H114-F120 AromaticContact CE1-CD1 3.65Å; H114-F120 AromaticContact CE1-CE1 3.97Å; H114-F120 AromaticContact ND1-CD1 3.83Å; F120-L130 HydrophobicContact CB-CD1 4.41Å; F120-L130 HydrophobicContact CB-CD2 3.88Å; F120-L130 HydrophobicContact CD1-CD1 4.38Å; F120-L130 HydrophobicContact CG-CD1 4.47Å; F120-M134 HydrophobicContact CD2-CB 4.36Å; F120-M134 HydrophobicContact CE2-CB 4.28Å; F120-L139 HydrophobicContact CD2-CD1 3.63Å; F120-L139 HydrophobicContact CD2-CD2 3.84Å; F120-L139 HydrophobicContact CD2-CG 3.89Å; F120-L139 HydrophobicContact CE2-CD1 3.57Å; F120-L139 HydrophobicContact CE2-CD2 3.71Å; F120-L139 HydrophobicContact CE2-CG 3.44Å; F120-L139 VanDerWaalsContact CE2-CG 3.44Å; F120-L139 HydrophobicContact CG-CD2 4.46Å; F120-L139 HydrophobicContact CZ-CD2 4.21Å; F120-L139 HydrophobicContact CZ-CG 4.17Å
121Y87.2Confident83.6Confident83 Ų8347.9 Ų47.933%0.32526%0.256SS..EExtended strand (participates in β ladder)trans-131.5148.7170.472.1-88.4000110.8V95 I97 L107 A110 K111 H114V95-Y121 CarbonylContact O-C 3.6Å; V95-Y121 WeakPolarHBondContact O-CA 3.28Å; V95-Y121 WeakPolarHBondContact O-CB 3.13Å; I97-Y121 HydrophobicContact CG1-CD2 4.33Å; L107-Y121 HydrophobicContact CD1-CD2 4.2Å; L107-Y121 HydrophobicContact CD1-CE2 4.04Å; A110-Y121 HydrophobicContact CB-CD1 4.4Å; A110-Y121 HydrophobicContact CB-CG 4.12Å; K111-Y121 HydrophobicContact CG-CE1 4.3Å; H114-Y121 HydrophobicContact CB-CD1 3.66Å; H114-Y121 HydrophobicContact CB-CE1 3.8Å; H114-Y121 AromaticContact CD2-CE1 3.6Å; H114-Y121 AromaticContact CG-CD1 3.79Å; H114-Y121 AromaticContact CG-CE1 3.7Å
122C87.9Confident83.7Confident5 Ų549.9 Ų49.93%0.03427%0.267CS..EExtended strand (participates in β ladder)trans-150.2178.2177.660.10000110.4V95 V96 I97 L127 L130V95-C122 PolarHBondContact O-N 2.91Å; V96-C122 CarbonylContact C-O 3.52Å; V96-C122 VanDerWaalsContact CA-O 3.3Å; V96-C122 WeakPolarHBondContact CA-O 3.13Å; I97-C122 PolarHBondContact N-O 3.21Å; C122-L127 WeakPolarHBondContact SG-CD1 3.38Å; C122-L130 HydrophobicContact CB-CB 4.23Å; C122-L130 HydrophobicContact CB-CD2 3.6Å
123T87.5Confident83.8Confident25 Ų2549.8 Ų49.815%0.15328%0.276CS..EExtended strand (participates in β ladder)trans-111.6169.1169.365.30000108.8E99 S125 T126 L127E99-T123 HydrophobicContact CG-CG2 3.74Å; E99-T123 VanDerWaalsContact OE2-CB 3.27Å; E99-T123 WeakPolarHBondContact OE2-CB 3.41Å; E99-T123 WeakPolarHBondContact OE2-CG2 3.07Å; E99-T123 PolarHBondContact OE2-OG1 3.34Å; T123-S125 PolarHBondContact O-N 3.41Å; T123-T126 PolarHBondContact N-OG1 2.71Å; T123-T126 PolarHBondContact O-N 3.01Å; T123-T126 VanDerWaalsContact O-N 3.1Å; T123-T126 PolarHBondContact O-OG1 3.46Å; T123-T126 PolarHBondContact OG1-N 3.3Å; T123-T126 PolarHBondContact OG1-OG1 3.36Å; T123-L127 WeakPolarHBondContact O-CB 3.49Å; T123-L127 PolarHBondContact O-N 2.84Å
124C84.1Confident83.9Confident25 Ų2550.7 Ų50.717%0.16928%0.281CS..THydrogen-bonded Turntrans-54.9-37.5176.8-60.40000111.7F8 C14F8-C124 VanDerWaalsContact CZ-SG 3.58Å; C14-C124 HydrophobicContact CB-CB 4.05Å; C14-C124 PolarHBondContact SG-O 3.02Å
125S84.6Confident83.7Confident99 Ų9951 Ų5169%0.69229%0.285SS*.THydrogen-bonded Turntrans-70.8-33.7179.3-52.50000113.6T123T123-S125 PolarHBondContact O-N 3.41Å
126T86.2Confident83.3Confident72 Ų7244.3 Ų44.344%0.44226%0.257SS..THydrogen-bonded Turntrans-96.1-13.3-175.952.80000113.4T123 G129 L130T123-T126 PolarHBondContact N-OG1 2.71Å; T123-T126 PolarHBondContact O-N 3.01Å; T123-T126 VanDerWaalsContact O-N 3.1Å; T123-T126 PolarHBondContact O-OG1 3.46Å; T123-T126 PolarHBondContact OG1-N 3.3Å; T123-T126 PolarHBondContact OG1-OG1 3.36Å; T126-G129 PolarHBondContact O-N 3.26Å; T126-L130 PolarHBondContact O-N 3.28Å
127L86.1Confident83.2Confident2 Ų245.1 Ų45.11%0.0127%0.273CS..Hα-helixtrans-50.6-48178.1176.373.2000112.8L11 V15 I73 V94 V96 C122 T123 G129 L130 L131L11-L127 HydrophobicContact CD1-CD2 4.23Å; V15-L127 HydrophobicContact CG2-CD2 3.6Å; I73-L127 HydrophobicContact CD1-CD1 4.34Å; I73-L127 HydrophobicContact CG2-CD1 4.43Å; V94-L127 HydrophobicContact CG1-CD1 4.4Å; V96-L127 HydrophobicContact CG2-CD1 4.33Å; C122-L127 WeakPolarHBondContact SG-CD1 3.38Å; T123-L127 WeakPolarHBondContact O-CB 3.49Å; T123-L127 PolarHBondContact O-N 2.84Å; L127-G129 VanDerWaalsContact C-N 3.28Å; L127-G129 PolarHBondContact O-N 2.74Å; L127-L130 PolarHBondContact O-N 2.89Å; L127-L131 HydrophobicContact CD1-CD1 4.34Å; L127-L131 HydrophobicContact CD1-CG 4.23Å; L127-L131 HydrophobicContact CG-CD1 4.14Å; L127-L131 HydrophobicContact CG-CG 4.42Å; L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 2.78Å
128P83.4Confident83Confident23 Ų2348 Ų4815%0.14929%0.286CS..Hα-helixtrans-63.5-32.4178.9-23.135.5000113.3K23K23-P128 HydrophobicContact CD-CB 3.58Å; K23-P128 WeakPolarHBondContact CD-O 3.37Å; K23-P128 PolarHBondContact NZ-O 3.35Å
129G85.7Confident83Confident37 Ų3748 Ų4838%0.38129%0.287SS..Hα-helixtrans-76.3-38.7177.200000111.7T126 L127 Q132 S133T126-G129 PolarHBondContact O-N 3.26Å; L127-G129 VanDerWaalsContact C-N 3.28Å; L127-G129 PolarHBondContact O-N 2.74Å; G129-Q132 PolarHBondContact O-N 2.76Å; G129-S133 PolarHBondContact O-N 3.26Å; G129-S133 VanDerWaalsContact O-N 3.13Å; G129-S133 PolarHBondContact O-OG 3.47Å
130L86.8Confident82.5Confident30 Ų3054.6 Ų54.616%0.15732%0.315CS..Hα-helixtrans-63.6-46174.8-176.768.8000110.6V94 F120 C122 T126 L127 Q132 S133 M134V94-L130 HydrophobicContact CG1-CD2 3.74Å; F120-L130 HydrophobicContact CB-CD1 4.41Å; F120-L130 HydrophobicContact CB-CD2 3.88Å; F120-L130 HydrophobicContact CD1-CD1 4.38Å; F120-L130 HydrophobicContact CG-CD1 4.47Å; C122-L130 HydrophobicContact CB-CB 4.23Å; C122-L130 HydrophobicContact CB-CD2 3.6Å; T126-L130 PolarHBondContact O-N 3.28Å; L127-L130 PolarHBondContact O-N 2.89Å; L130-Q132 PolarHBondContact O-N 3.24Å; L130-Q132 VanDerWaalsContact O-N 3.15Å; L130-S133 PolarHBondContact O-N 3.24Å; L130-S133 VanDerWaalsContact O-N 3.08Å; L130-M134 HydrophobicContact CD1-CB 4.25Å; L130-M134 HydrophobicContact CG-CB 4.3Å; L130-M134 WeakPolarHBondContact O-CA 3.39Å; L130-M134 WeakPolarHBondContact O-CB 3.33Å; L130-M134 WeakPolarHBondContact O-CG 3.31Å; L130-M134 PolarHBondContact O-N 2.87Å
131L83.7Confident81.7Confident3 Ų357.6 Ų57.62%0.01634%0.339CS..Hα-helixtrans-55.5-35.2178.5-74.5173.6000112.6I24 L27 L71 I73 L127 M134I24-L131 HydrophobicContact CG1-CD1 4.05Å; L27-L131 HydrophobicContact CD1-CB 3.98Å; L27-L131 VanDerWaalsContact CD1-O 3.22Å; L27-L131 WeakPolarHBondContact CD1-O 3.44Å; L27-L131 WeakPolarHBondContact CD2-O 3.3Å; L71-L131 HydrophobicContact CD2-CD2 4.17Å; I73-L131 HydrophobicContact CD1-CD2 4.19Å; L127-L131 HydrophobicContact CD1-CD1 4.34Å; L127-L131 HydrophobicContact CD1-CG 4.23Å; L127-L131 HydrophobicContact CG-CD1 4.14Å; L127-L131 HydrophobicContact CG-CG 4.42Å; L127-L131 WeakPolarHBondContact O-CG 3.37Å; L127-L131 PolarHBondContact O-N 2.78Å; L131-M134 HydrophobicContact CD2-CE 3.63Å; L131-M134 HydrophobicContact CD2-SD 3.98Å
132Q82Confident80.8Confident124 Ų12454.6 Ų54.658%0.57933%0.327SS*.Hα-helixtrans-79.5-29.8177.7-79.7178.5-31.100114.5K23 G129 L130K23-Q132 HydrophobicContact CD-CG 4.34Å; K23-Q132 HydrophobicContact CG-CG 4.32Å; K23-Q132 VanDerWaalsContact NZ-OE1 3.08Å; G129-Q132 PolarHBondContact O-N 2.76Å; L130-Q132 PolarHBondContact O-N 3.24Å; L130-Q132 VanDerWaalsContact O-N 3.15Å
133S81.6Confident79.4Confident91 Ų9157.1 Ų57.164%0.63634%0.343SS*.Hα-helixtrans-103.9-12.9-174.1560000113.7G129 L130G129-S133 PolarHBondContact O-N 3.26Å; G129-S133 VanDerWaalsContact O-N 3.13Å; G129-S133 PolarHBondContact O-OG 3.47Å; L130-S133 PolarHBondContact O-N 3.24Å; L130-S133 VanDerWaalsContact O-N 3.08Å
134M79.4Confident77.9Confident24 Ų2461.8 Ų61.812%0.11837%0.374CS..  trans-69.5137.2-179.470.5-177.7-176.700109.8L27 L71 V94 F120 L130 L131 L136L27-M134 HydrophobicContact CD1-CE 4.3Å; L71-M134 HydrophobicContact CD2-CE 3.46Å; L71-M134 VanDerWaalsContact CD2-CE 3.46Å; L71-M134 HydrophobicContact CD2-SD 4.12Å; V94-M134 HydrophobicContact CG2-SD 4.27Å; F120-M134 HydrophobicContact CD2-CB 4.36Å; F120-M134 HydrophobicContact CE2-CB 4.28Å; L130-M134 HydrophobicContact CD1-CB 4.25Å; L130-M134 HydrophobicContact CG-CB 4.3Å; L130-M134 WeakPolarHBondContact O-CA 3.39Å; L130-M134 WeakPolarHBondContact O-CB 3.33Å; L130-M134 WeakPolarHBondContact O-CG 3.31Å; L130-M134 PolarHBondContact O-N 2.87Å; L131-M134 HydrophobicContact CD2-CE 3.63Å; L131-M134 HydrophobicContact CD2-SD 3.98Å; M134-L136 HydrophobicContact CE-CD1 4.47Å; M134-L136 HydrophobicContact CE-CD2 4.08Å; M134-L136 HydrophobicContact CE-CG 4.34Å; M134-L136 HydrophobicContact CG-CD2 4.25Å; M134-L136 HydrophobicContact SD-CD2 3.81Å
135D79.1Confident76.4Confident82 Ų8263.7 Ų63.744%0.43940%0.398SS..  trans-113.8102.1170.9-168.1-39.4000108.1S137 T138D135-S137 PolarHBondContact O-N 3.34Å; D135-S137 WeakPolarHBondContact OD1-CA 3.09Å; D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.13Å; D135-S137 PolarHBondContact OD1-N 3.32Å; D135-S137 PolarHBondContact OD1-OG 3.15Å; D135-T138 HydrophobicContact CB-CG2 3.81Å; D135-T138 PolarHBondContact O-N 3.32Å; D135-T138 VanDerWaalsContact O-N 3.1Å; D135-T138 PolarHBondContact O-OG1 2.84Å
136L75.6Confident75.2Confident38 Ų3862.7 Ų62.720%0.19938%0.382CS..G310 helixtrans-62.7-21.9-178.9-59.4-175.4000112.6Y29 L71 P92 M134 T138 L139Y29-L136 WeakPolarHBondContact OH-CD1 3.17Å; L71-L136 HydrophobicContact CB-CD1 4.23Å; L71-L136 HydrophobicContact CD1-CD1 4.2Å; L71-L136 HydrophobicContact CD1-CD2 3.63Å; P92-L136 HydrophobicContact CB-CD1 4.49Å; P92-L136 HydrophobicContact CB-CD2 3.96Å; P92-L136 HydrophobicContact CG-CB 4.42Å; M134-L136 HydrophobicContact CE-CD1 4.47Å; M134-L136 HydrophobicContact CE-CD2 4.08Å; M134-L136 HydrophobicContact CE-CG 4.34Å; M134-L136 HydrophobicContact CG-CD2 4.25Å; M134-L136 HydrophobicContact SD-CD2 3.81Å; L136-T138 PolarHBondContact O-N 2.91Å; L136-L139 HydrophobicContact CD2-CD1 4.18Å; L136-L139 PolarHBondContact O-N 2.96Å
137S74.1Confident73.9Confident106 Ų10660.8 Ų60.874%0.74137%0.371SS*.G310 helixtrans-72.2-18.7178.276.80000112.8D135 L139D135-S137 PolarHBondContact O-N 3.34Å; D135-S137 WeakPolarHBondContact OD1-CA 3.09Å; D135-S137 VanDerWaalsContact OD1-CB 3.25Å; D135-S137 WeakPolarHBondContact OD1-CB 3.13Å; D135-S137 PolarHBondContact OD1-N 3.32Å; D135-S137 PolarHBondContact OD1-OG 3.15Å; S137-L139 VanDerWaalsContact C-N 3.34Å
138T77.3Confident72.7Confident84 Ų8468.3 Ų68.352%0.51541%0.406SS..G310 helixtrans-80.3-15.8177.266.90000113.4D135 L136 K140D135-T138 HydrophobicContact CB-CG2 3.81Å; D135-T138 PolarHBondContact O-N 3.32Å; D135-T138 VanDerWaalsContact O-N 3.1Å; D135-T138 PolarHBondContact O-OG1 2.84Å; L136-T138 PolarHBondContact O-N 2.91Å; T138-K140 PolarHBondContact O-N 3.32Å
139L78.6Confident71.7Confident24 Ų2473.6 Ų73.613%0.12643%0.427CS..PPolyproline II helixtrans-73.3126.3179.9-75.2169.3000110.9P92 F120 L136 S137P92-L139 HydrophobicContact CB-CD1 3.71Å; F120-L139 HydrophobicContact CD2-CD1 3.63Å; F120-L139 HydrophobicContact CD2-CD2 3.84Å; F120-L139 HydrophobicContact CD2-CG 3.89Å; F120-L139 HydrophobicContact CE2-CD1 3.57Å; F120-L139 HydrophobicContact CE2-CD2 3.71Å; F120-L139 HydrophobicContact CE2-CG 3.44Å; F120-L139 VanDerWaalsContact CE2-CG 3.44Å; F120-L139 HydrophobicContact CG-CD2 4.46Å; F120-L139 HydrophobicContact CZ-CD2 4.21Å; F120-L139 HydrophobicContact CZ-CG 4.17Å; L136-L139 HydrophobicContact CD2-CD1 4.18Å; L136-L139 PolarHBondContact O-N 2.96Å; S137-L139 VanDerWaalsContact C-N 3.34Å
140K73.9Confident70.7Confident142 Ų14272.2 Ų72.262%0.61741%0.41SS*.PPolyproline II helixtrans-82.9127.7173.9-68.4-178.9-178.51740109.6G117 H118 T138 Y142G117-K140 PolarHBondContact O-N 3Å; H118-K140 PolarHBondContact ND1-O 3.49Å; T138-K140 PolarHBondContact O-N 3.32Å; K140-Y142 PolarHBondContact O-N 3.43Å
141C70.3Confident69.5Low91 Ų9173 Ų7362%0.61542%0.419SS*.PPolyproline II helixtrans-51.3130.6169-62.80000110
142Y68.1Low68.6Low20 Ų2075.6 Ų75.68%0.07844%0.44CS..PPolyproline II helixtrans-66.8128174.1-165.2-99.2000108.7L87 L113 H118 K140 Q146L87-Y142 HydrophobicContact CB-CD1 4.32Å; L87-Y142 HydrophobicContact CB-CG 4.09Å; L87-Y142 HydrophobicContact CD2-CG 4.48Å; L87-Y142 WeakPolarHBondContact O-CB 3.03Å; L113-Y142 HydrophobicContact CD2-CD2 4.26Å; L113-Y142 HydrophobicContact CD2-CE2 3.78Å; H118-Y142 HydrophobicContact CB-CD2 4.16Å; H118-Y142 AromaticContact CD2-CD2 3.69Å; H118-Y142 AromaticContact CG-CD2 3.71Å; H118-Y142 AromaticContact ND1-CD2 4Å; H118-Y142 AromaticContact NE2-CD2 3.98Å; K140-Y142 PolarHBondContact O-N 3.43Å; Y142-Q146 HydrophobicContact CE1-CB 4.15Å; Y142-Q146 PolarHBondContact OH-O 2.85Å
143P59.6Low67.7Low57 Ų5773.6 Ų73.637%0.3743%0.43SS..PPolyproline II helixtrans-64.8129.6-174.823.2-31.6000110.8G145P143-G145 PolarHBondContact O-N 3.39Å
144P54.9Low66.7Low124 Ų12470.2 Ų70.281%0.80540%0.404SS*.THydrogen-bonded Turntrans-63.2125.9174.525.4-31.7000108.9
145G53.6Low65.8Low65 Ų6572.6 Ų72.667%0.6742%0.418SS*.THydrogen-bonded Turntrans116.41.2178.800000116.7P143P143-G145 PolarHBondContact O-N 3.39Å
146Q59.3Low64.8Low77 Ų7777.5 Ų77.536%0.3644%0.435SS..  trans-109.325164.3-58.2-166.825.600116Y142 E148 K149 F150Y142-Q146 HydrophobicContact CE1-CB 4.15Å; Y142-Q146 PolarHBondContact OH-O 2.85Å; Q146-E148 PolarHBondContact O-N 2.97Å; Q146-E148 VanDerWaalsContact O-N 3.14Å; Q146-K149 PolarHBondContact O-N 2.78Å; Q146-K149 VanDerWaalsContact O-N 3.1Å; Q146-F150 PolarHBondContact O-N 2.69Å
147P59.5Low63.7Low33 Ų3377 Ų7721%0.21443%0.434CS..Hα-helixtrans-63-24.9179.230.6-34.6000111.3L84 K149 F150 S151L84-P147 HydrophobicContact CD1-CB 3.83Å; L84-P147 HydrophobicContact CD2-CB 4.32Å; P147-K149 PolarHBondContact O-N 3.19Å; P147-F150 PolarHBondContact O-N 2.78Å; P147-S151 WeakPolarHBondContact O-CB 3.42Å; P147-S151 PolarHBondContact O-N 2.72Å
148E59.4Low62.7Low160 Ų16073.4 Ų73.475%0.74841%0.407SS*.Hα-helixtrans-66.5-35.1177-55.2-163.7107.200112.6Q146 A152Q146-E148 PolarHBondContact O-N 2.97Å; Q146-E148 VanDerWaalsContact O-N 3.14Å; E148-A152 WeakPolarHBondContact O-CA 3.2Å; E148-A152 WeakPolarHBondContact O-CB 3.1Å; E148-A152 PolarHBondContact O-N 2.67Å
149K63.4Low61.2Low134 Ų13471.4 Ų71.458%0.58340%0.403SS*.Hα-helixtrans-70.2-42174.9-70.5-171.7-169.6164.50110.9Q146 P147 F153Q146-K149 PolarHBondContact O-N 2.78Å; Q146-K149 VanDerWaalsContact O-N 3.1Å; P147-K149 PolarHBondContact O-N 3.19Å; K149-F153 WeakPolarHBondContact O-CB 3.14Å; K149-F153 PolarHBondContact O-N 2.99Å
150F64.8Low59.4Low7 Ų776.4 Ų76.43%0.03143%0.429CS..Hα-helixtrans-68.1-43.6177.3-174.1-92000111.5C83 L84 L87 L109 L113 Q146 P147 F153 L154C83-F150 HydrophobicContact CB-CE1 4.37Å; C83-F150 HydrophobicContact CB-CZ 3.89Å; L84-F150 HydrophobicContact CB-CD1 3.71Å; L84-F150 HydrophobicContact CB-CE1 3.54Å; L84-F150 HydrophobicContact CD1-CB 4Å; L84-F150 HydrophobicContact CD1-CD1 3.41Å; L84-F150 VanDerWaalsContact CD1-CD1 3.41Å; L84-F150 HydrophobicContact CD1-CE1 4.1Å; L84-F150 HydrophobicContact CD1-CG 3.92Å; L84-F150 HydrophobicContact CD2-CD1 4.4Å; L84-F150 HydrophobicContact CG-CD1 4Å; L84-F150 HydrophobicContact CG-CE1 4.34Å; L87-F150 HydrophobicContact CD1-CD2 4.03Å; L87-F150 HydrophobicContact CD1-CE2 3.59Å; L87-F150 HydrophobicContact CD1-CZ 3.92Å; L109-F150 HydrophobicContact CD1-CD2 4.23Å; L109-F150 HydrophobicContact CD1-CE2 4.05Å; L109-F150 HydrophobicContact CD2-CE2 4.12Å; L109-F150 HydrophobicContact CD2-CZ 4.31Å; L109-F150 HydrophobicContact CG-CE2 4.43Å; L113-F150 HydrophobicContact CD1-CD2 3.9Å; L113-F150 HydrophobicContact CD1-CE2 3.46Å; L113-F150 VanDerWaalsContact CD1-CE2 3.46Å; Q146-F150 PolarHBondContact O-N 2.69Å; P147-F150 PolarHBondContact O-N 2.78Å; F150-F153 PolarHBondContact O-N 3.2Å; F150-L154 HydrophobicContact CD1-CD1 3.46Å; F150-L154 VanDerWaalsContact CD1-CD1 3.46Å; F150-L154 HydrophobicContact CD1-CG 4.18Å; F150-L154 HydrophobicContact CE1-CD1 3.14Å; F150-L154 HydrophobicContact CE1-CG 3.98Å; F150-L154 HydrophobicContact CZ-CD1 3.95Å; F150-L154 HydrophobicContact CZ-CG 4.43Å; F150-L154 VanDerWaalsContact O-CB 3.29Å; F150-L154 WeakPolarHBondContact O-CB 3.5Å; F150-L154 WeakPolarHBondContact O-CG 3.37Å; F150-L154 PolarHBondContact O-N 3.41Å
151S61.6Low57.4Low47 Ų4778.6 Ų78.633%0.32944%0.442SS..Hα-helixtrans-63.3-46.5173.9-167.30000110.9P147 F153 L154 D155P147-S151 WeakPolarHBondContact O-CB 3.42Å; P147-S151 PolarHBondContact O-N 2.72Å; S151-F153 VanDerWaalsContact C-N 3.33Å; S151-F153 PolarHBondContact O-N 2.82Å; S151-L154 CarbonylContact O-C 3.59Å; S151-L154 WeakPolarHBondContact O-CB 3.38Å; S151-L154 PolarHBondContact O-N 3.09Å; S151-D155 WeakPolarHBondContact O-CB 3.29Å; S151-D155 PolarHBondContact O-N 2.81Å; S151-D155 VanDerWaalsContact O-OD2 3.08Å; S151-D155 PolarHBondContact OG-OD2 3.26Å
152A64Low55.6Low57 Ų5787.4 Ų87.447%0.47147%0.469SS..Hα-helixtrans-65-37.217700000112.2E148 K156E148-A152 WeakPolarHBondContact O-CA 3.2Å; E148-A152 WeakPolarHBondContact O-CB 3.1Å; E148-A152 PolarHBondContact O-N 2.67Å; A152-K156 WeakPolarHBondContact O-CB 3.12Å; A152-K156 PolarHBondContact O-N 3.41Å
153F63.3Low55Low83 Ų8390.8 Ų90.836%0.36449%0.489SS..Hα-helixtrans-67-41.4174.1-155-85.9000110.3L109 K149 F150 S151 K156 V157L109-F153 HydrophobicContact CB-CD1 4.22Å; L109-F153 HydrophobicContact CB-CE1 3.98Å; L109-F153 HydrophobicContact CD1-CD1 3.63Å; L109-F153 HydrophobicContact CD1-CE1 4.03Å; L109-F153 HydrophobicContact CD1-CG 4.35Å; L109-F153 HydrophobicContact CG-CD1 4.41Å; K149-F153 WeakPolarHBondContact O-CB 3.14Å; K149-F153 PolarHBondContact O-N 2.99Å; F150-F153 PolarHBondContact O-N 3.2Å; S151-F153 VanDerWaalsContact C-N 3.33Å; S151-F153 PolarHBondContact O-N 2.82Å; F153-K156 PolarHBondContact O-N 3.22Å; F153-V157 HydrophobicContact CD1-CG2 3.49Å; F153-V157 VanDerWaalsContact CD1-CG2 3.49Å; F153-V157 HydrophobicContact CE1-CG2 3.52Å; F153-V157 HydrophobicContact CG-CG2 4.46Å; F153-V157 HydrophobicContact CZ-CG2 4.47Å; F153-V157 WeakPolarHBondContact O-CB 3.22Å; F153-V157 WeakPolarHBondContact O-CG2 3.5Å; F153-V157 PolarHBondContact O-N 3.2Å
154L61.6Low54.7Low19 Ų1992.5 Ų92.510%0.09950%0.495CS..Hα-helixtrans-63.4-49172.7-85.1173.1000112.7A80 L109 F150 S151 K156 V157 V158A80-L154 HydrophobicContact CB-CD1 3.36Å; A80-L154 HydrophobicContact CB-CD2 3.12Å; A80-L154 HydrophobicContact CB-CG 3.86Å; L109-L154 HydrophobicContact CD2-CD2 3.9Å; L109-L154 HydrophobicContact CD2-CG 4.35Å; F150-L154 HydrophobicContact CD1-CD1 3.46Å; F150-L154 VanDerWaalsContact CD1-CD1 3.46Å; F150-L154 HydrophobicContact CD1-CG 4.18Å; F150-L154 HydrophobicContact CE1-CD1 3.14Å; F150-L154 HydrophobicContact CE1-CG 3.98Å; F150-L154 HydrophobicContact CZ-CD1 3.95Å; F150-L154 HydrophobicContact CZ-CG 4.43Å; F150-L154 VanDerWaalsContact O-CB 3.29Å; F150-L154 WeakPolarHBondContact O-CB 3.5Å; F150-L154 WeakPolarHBondContact O-CG 3.37Å; F150-L154 PolarHBondContact O-N 3.41Å; S151-L154 CarbonylContact O-C 3.59Å; S151-L154 WeakPolarHBondContact O-CB 3.38Å; S151-L154 PolarHBondContact O-N 3.09Å; L154-K156 PolarHBondContact O-N 3.03Å; L154-V157 CarbonylContact O-C 3.37Å; L154-V157 PolarHBondContact O-N 3.07Å; L154-V157 VanDerWaalsContact O-N 3.09Å; L154-V158 HydrophobicContact CB-CG2 4.36Å; L154-V158 HydrophobicContact CD2-CG2 3.55Å; L154-V158 WeakPolarHBondContact O-CA 3.05Å; L154-V158 WeakPolarHBondContact O-CB 3.38Å; L154-V158 WeakPolarHBondContact O-CG2 3.16Å; L154-V158 PolarHBondContact O-N 3.32Å
155D60.5Low54.7Low74 Ų7490.8 Ų90.840%0.39648%0.478SS..Hα-helixtrans-56.7-41.1177.1-78.5-47.7000110.5S151 G159 L160S151-D155 WeakPolarHBondContact O-CB 3.29Å; S151-D155 PolarHBondContact O-N 2.81Å; S151-D155 VanDerWaalsContact O-OD2 3.08Å; S151-D155 PolarHBondContact OG-OD2 3.26Å; D155-G159 WeakPolarHBondContact O-CA 3.43Å; D155-G159 PolarHBondContact O-N 3.18Å; D155-L160 VanDerWaalsContact OD1-CD1 3.22Å; D155-L160 WeakPolarHBondContact OD1-CD1 3.45Å
156K57.3Low54.8Low185 Ų18592.3 Ų92.380%0.80447%0.467SS*.Hα-helixtrans-70.5-35176.5-169.3175.7-177.9-179.90113.5A152 F153 L154A152-K156 WeakPolarHBondContact O-CB 3.12Å; A152-K156 PolarHBondContact O-N 3.41Å; F153-K156 PolarHBondContact O-N 3.22Å; L154-K156 PolarHBondContact O-N 3.03Å
157V53.2Low54.5Low29 Ų2993.3 Ų93.318%0.17647%0.473CS..Hα-helixtrans-85.6-36.7-177.3159.60000112.6H105 F153 L154H105-V157 HydrophobicContact CB-CB 4.31Å; H105-V157 HydrophobicContact CB-CG1 3.58Å; H105-V157 HydrophobicContact CB-CG2 4.21Å; F153-V157 HydrophobicContact CD1-CG2 3.49Å; F153-V157 VanDerWaalsContact CD1-CG2 3.49Å; F153-V157 HydrophobicContact CE1-CG2 3.52Å; F153-V157 HydrophobicContact CG-CG2 4.46Å; F153-V157 HydrophobicContact CZ-CG2 4.47Å; F153-V157 WeakPolarHBondContact O-CB 3.22Å; F153-V157 WeakPolarHBondContact O-CG2 3.5Å; F153-V157 PolarHBondContact O-N 3.2Å; L154-V157 CarbonylContact O-C 3.37Å; L154-V157 PolarHBondContact O-N 3.07Å; L154-V157 VanDerWaalsContact O-N 3.09Å
158V52.3Low54.1Low30 Ų3097.3 Ų97.318%0.18249%0.491CS..Hα-helixtrans-94.5-20.3-171-175.10000111K78 L154K78-V158 HydrophobicContact CB-CG1 4.11Å; K78-V158 HydrophobicContact CG-CG1 3.35Å; L154-V158 HydrophobicContact CB-CG2 4.36Å; L154-V158 HydrophobicContact CD2-CG2 3.55Å; L154-V158 WeakPolarHBondContact O-CA 3.05Å; L154-V158 WeakPolarHBondContact O-CB 3.38Å; L154-V158 WeakPolarHBondContact O-CG2 3.16Å; L154-V158 PolarHBondContact O-N 3.32Å
159G45.7Very low53.8Low41 Ų4192.8 Ų92.842%0.42347%0.472SS..THydrogen-bonded Turntrans56.668.217700000110.2D155 Q161D155-G159 WeakPolarHBondContact O-CA 3.43Å; D155-G159 PolarHBondContact O-N 3.18Å; G159-Q161 PolarHBondContact O-N 2.81Å
160L41.5Very low53Low130 Ų13089.6 Ų89.668%0.68146%0.464SS*.  trans-66.678.6160.5-88.1160.2000107.4D155 K162D155-L160 VanDerWaalsContact OD1-CD1 3.22Å; D155-L160 WeakPolarHBondContact OD1-CD1 3.45Å; L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.07Å; L160-K162 VanDerWaalsContact O-N 3.07Å
161Q31.8Very low52.1Low187 Ų18796.5 Ų96.587%0.87450%0.5SS*.  trans-63.8106.6152-82.2-172.8-11.400105.6G159G159-Q161 PolarHBondContact O-N 2.81Å
162K32.1Very low51.2Low276 Ų276101 Ų101100%1.252%0.515SS*.  trans-48.20158.5-91.3-176.5173.2-179.20110.4L160L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.07Å; L160-K162 VanDerWaalsContact O-N 3.07Å

Retrieved 162 of 162 residues in 72.1 ms (Link to these results)

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