A0A096LP68_HUMAN Loading...

Serpin family B member 11

AlphaFold DB , UniProt , Accession A0A096LP68, Species HUMAN (Homo sapiens, Human), Gene SERPINB11, Length 190 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
1M37.8Very low75.2Confident246 Ų24657.7 Ų57.7100%1.21235%0.351SS*.  0120.20-76.5174.7167.800106.9
2G57.7Low76.4Confident66 Ų6652.9 Ų52.968%0.6832%0.322SS*.  trans-64.3159.7174.900000111
3S74.4Confident77.2Confident61 Ų6151.5 Ų51.543%0.42731%0.311SS..  trans-69.3154.5173.4720000110.5S5 T6 A7S3-S5 PolarHBondContact O-N 3.48Å; S3-S5 VanDerWaalsContact O-N 3.14Å; S3-S5 PolarHBondContact OG-OG 3.27Å; S3-T6 WeakPolarHBondContact O-CA 3.4Å; S3-T6 VanDerWaalsContact O-CB 3.23Å; S3-T6 WeakPolarHBondContact O-CB 3.44Å; S3-T6 PolarHBondContact O-N 3.18Å; S3-T6 PolarHBondContact OG-N 3.31Å; S3-T6 PolarHBondContact OG-OG1 3.31Å; S3-A7 PolarHBondContact O-N 3.46Å
4L76Confident77.8Confident111 Ų11150.3 Ų50.358%0.58130%0.302SS*.Hα-helixtrans-54.2-34.1176.8178.563.9000112.3A7 N8L4-A7 PolarHBondContact O-N 3.24Å; L4-N8 WeakPolarHBondContact O-CB 3.4Å; L4-N8 PolarHBondContact O-N 3.15Å
5S79.7Confident78.5Confident21 Ų2147 Ų4715%0.14728%0.282CS..Hα-helixtrans-69.9-32.2176.555.80000112.7S3 N8 V9 T178S3-S5 PolarHBondContact O-N 3.48Å; S3-S5 VanDerWaalsContact O-N 3.14Å; S3-S5 PolarHBondContact OG-OG 3.27Å; S5-N8 PolarHBondContact O-N 2.99Å; S5-V9 VanDerWaalsContact O-CG2 3.23Å; S5-V9 WeakPolarHBondContact O-CG2 3.47Å; S5-V9 PolarHBondContact O-N 2.63Å; S5-T178 WeakPolarHBondContact CB-O 3.23Å; S5-T178 PolarHBondContact OG-O 3.04Å
6T80.5Confident79.3Confident54 Ų5445.7 Ų45.733%0.33127%0.272SS..Hα-helixtrans-61.6-53.1171.6-50.60000110.7S3 N8 V9 E10S3-T6 WeakPolarHBondContact O-CA 3.4Å; S3-T6 VanDerWaalsContact O-CB 3.23Å; S3-T6 WeakPolarHBondContact O-CB 3.44Å; S3-T6 PolarHBondContact O-N 3.18Å; S3-T6 PolarHBondContact OG-N 3.31Å; S3-T6 PolarHBondContact OG-OG1 3.31Å; T6-N8 VanDerWaalsContact C-N 3.28Å; T6-N8 PolarHBondContact O-N 3.07Å; T6-V9 WeakPolarHBondContact O-CB 3.17Å; T6-V9 PolarHBondContact O-N 2.64Å; T6-V9 VanDerWaalsContact O-N 3.09Å; T6-E10 VanDerWaalsContact O-CG 3.32Å; T6-E10 WeakPolarHBondContact O-CG 3.47Å; T6-E10 PolarHBondContact O-N 2.88Å
7A79.5Confident79.8Confident31 Ų3149.6 Ų49.626%0.25628%0.284SS..Hα-helixtrans-57.9-42.4177.600000111.5S3 L4 V9 E10 F11 L61S3-A7 PolarHBondContact O-N 3.46Å; L4-A7 PolarHBondContact O-N 3.24Å; A7-V9 PolarHBondContact O-N 2.91Å; A7-E10 PolarHBondContact O-N 2.93Å; A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 3.17Å; A7-L61 HydrophobicContact CB-CD1 4.13Å; A7-L61 WeakPolarHBondContact O-CD1 3.46Å
8N86Confident80.2Confident0 Ų049.5 Ų49.50%028%0.281CS..Hα-helixtrans-64.7-37.2176.8175.277.6000113.5L4 S5 T6 C12 S32 L33 L36 T180 I181L4-N8 WeakPolarHBondContact O-CB 3.4Å; L4-N8 PolarHBondContact O-N 3.15Å; S5-N8 PolarHBondContact O-N 2.99Å; T6-N8 VanDerWaalsContact C-N 3.28Å; T6-N8 PolarHBondContact O-N 3.07Å; N8-C12 WeakPolarHBondContact O-CB 3.23Å; N8-C12 PolarHBondContact O-N 3.06Å; N8-S32 PolarHBondContact O-OG 3.05Å; N8-S32 PolarHBondContact OD1-OG 3.24Å; N8-L33 PolarHBondContact OD1-N 3.43Å; N8-L36 HydrophobicContact CB-CD2 3.81Å; N8-T180 HydrophobicContact CB-CG2 4.3Å; N8-T180 WeakPolarHBondContact ND2-CG2 3.48Å; N8-I181 WeakPolarHBondContact ND2-CA 3.32Å; N8-I181 WeakPolarHBondContact ND2-CB 3.23Å; N8-I181 PolarHBondContact ND2-N 3.12Å; N8-I181 PolarHBondContact ND2-O 2.83Å; N8-I181 PolarHBondContact OD1-O 3.21Å
9V85.3Confident80.7Confident15 Ų1547.5 Ų47.59%0.09127%0.269CS..Hα-helixtrans-63.1-45.7174.8165.20000110.6S5 T6 A7 C12 L13 F66 I181S5-V9 VanDerWaalsContact O-CG2 3.23Å; S5-V9 WeakPolarHBondContact O-CG2 3.47Å; S5-V9 PolarHBondContact O-N 2.63Å; T6-V9 WeakPolarHBondContact O-CB 3.17Å; T6-V9 PolarHBondContact O-N 2.64Å; T6-V9 VanDerWaalsContact O-N 3.09Å; A7-V9 PolarHBondContact O-N 2.91Å; V9-C12 VanDerWaalsContact O-CB 3.3Å; V9-C12 WeakPolarHBondContact O-CB 3.49Å; V9-C12 PolarHBondContact O-N 2.84Å; V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 3.25Å; V9-L13 VanDerWaalsContact O-N 3.1Å; V9-F66 HydrophobicContact CB-CD1 4.29Å; V9-F66 HydrophobicContact CG1-CB 3.72Å; V9-F66 HydrophobicContact CG1-CD1 3.37Å; V9-F66 HydrophobicContact CG1-CE1 4.16Å; V9-F66 HydrophobicContact CG1-CG 3.69Å; V9-F66 HydrophobicContact CG2-CD1 3.85Å; V9-F66 HydrophobicContact CG2-CE1 3.9Å; V9-I181 HydrophobicContact CB-CD1 4.29Å; V9-I181 HydrophobicContact CG1-CD1 4.43Å; V9-I181 HydrophobicContact CG2-CD1 3.81Å; V9-I181 HydrophobicContact CG2-CG1 3.97Å
10E84.3Confident81.1Confident25 Ų2547.7 Ų47.712%0.11727%0.27CS..Hα-helixtrans-65.3-48-177.8-69.8172.2160.100111.5T6 A7 C12 L13 D14 L61 N62 S63T6-E10 VanDerWaalsContact O-CG 3.32Å; T6-E10 WeakPolarHBondContact O-CG 3.47Å; T6-E10 PolarHBondContact O-N 2.88Å; A7-E10 PolarHBondContact O-N 2.93Å; E10-C12 VanDerWaalsContact C-N 3.28Å; E10-C12 PolarHBondContact O-N 2.89Å; E10-L13 PolarHBondContact O-N 3.1Å; E10-D14 PolarHBondContact O-N 3.04Å; E10-L61 HydrophobicContact CB-CB 3.48Å; E10-L61 VanDerWaalsContact CB-CB 3.48Å; E10-L61 HydrophobicContact CB-CD2 4.35Å; E10-L61 HydrophobicContact CB-CG 4.33Å; E10-L61 HydrophobicContact CG-CB 4.34Å; E10-L61 VanDerWaalsContact OE2-C 3.27Å; E10-L61 VanDerWaalsContact OE2-CB 3.32Å; E10-L61 WeakPolarHBondContact OE2-CB 3.35Å; E10-L61 VanDerWaalsContact OE2-O 3.1Å; E10-N62 VanDerWaalsContact CD-CA 3.42Å; E10-N62 VanDerWaalsContact OE1-CA 3.24Å; E10-N62 WeakPolarHBondContact OE1-CA 3.47Å; E10-S63 PolarHBondContact OE1-N 2.83Å
11F86.1Confident81.3Confident5 Ų549.3 Ų49.32%0.02228%0.284CS..Hα-helixtrans-58.4-43.2175.9176.2-101.2000111.5A7 L13 D14 V15 L35 L36 L39 I57 L61A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 3.17Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.18Å; F11-D14 PolarHBondContact O-N 2.89Å; F11-V15 HydrophobicContact CD1-CG2 4.33Å; F11-V15 HydrophobicContact CD2-CG2 4.25Å; F11-V15 HydrophobicContact CE1-CG2 3.84Å; F11-V15 HydrophobicContact CE2-CG2 3.76Å; F11-V15 HydrophobicContact CZ-CG2 3.53Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 3.41Å; F11-L35 HydrophobicContact CE1-CB 3.55Å; F11-L35 HydrophobicContact CE1-CD1 4.37Å; F11-L35 HydrophobicContact CZ-CB 3.85Å; F11-L36 HydrophobicContact CB-CD1 4.45Å; F11-L36 HydrophobicContact CD1-CB 4.09Å; F11-L36 HydrophobicContact CD1-CD1 4.37Å; F11-L36 HydrophobicContact CE1-CB 4.26Å; F11-L36 HydrophobicContact CG-CD1 4.19Å; F11-L39 HydrophobicContact CE2-CD1 3.45Å; F11-L39 VanDerWaalsContact CE2-CD1 3.45Å; F11-L39 HydrophobicContact CZ-CD1 3.55Å; F11-I57 HydrophobicContact CD2-CG2 4.39Å; F11-I57 HydrophobicContact CE2-CG2 4.36Å; F11-L61 VanDerWaalsContact CA-CD2 3.4Å; F11-L61 HydrophobicContact CB-CD1 3.92Å; F11-L61 HydrophobicContact CB-CD2 3.7Å; F11-L61 HydrophobicContact CB-CG 4.45Å; F11-L61 HydrophobicContact CD2-CD2 4.19Å; F11-L61 HydrophobicContact CG-CD2 4.46Å
12C89.4Confident83.3Confident0 Ų042.5 Ų42.50%025%0.253CS..Hα-helixtrans-54.9-45.1174.4-174.50000112.1N8 V9 E10 F16 F30 S32 I181 C184N8-C12 WeakPolarHBondContact O-CB 3.23Å; N8-C12 PolarHBondContact O-N 3.06Å; V9-C12 VanDerWaalsContact O-CB 3.3Å; V9-C12 WeakPolarHBondContact O-CB 3.49Å; V9-C12 PolarHBondContact O-N 2.84Å; E10-C12 VanDerWaalsContact C-N 3.28Å; E10-C12 PolarHBondContact O-N 2.89Å; C12-F16 VanDerWaalsContact O-CB 3.26Å; C12-F16 WeakPolarHBondContact O-CB 3.48Å; C12-F16 PolarHBondContact O-N 3.14Å; C12-F30 WeakPolarHBondContact O-CZ 3.39Å; C12-S32 VanDerWaalsContact CB-OG 3.29Å; C12-S32 WeakPolarHBondContact CB-OG 3.19Å; C12-I181 HydrophobicContact CB-CD1 4.15Å; C12-C184 WeakPolarHBondContact SG-CB 3.28Å
13L86.5Confident84.2Confident35 Ų3542.1 Ų42.118%0.18324%0.235CC..Hα-helixtrans-71.3-37.2-176.5-67.9171000112.2V9 E10 F11 F16 K17 S63 F66V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 3.25Å; V9-L13 VanDerWaalsContact O-N 3.1Å; E10-L13 PolarHBondContact O-N 3.1Å; F11-L13 VanDerWaalsContact C-N 3.28Å; F11-L13 PolarHBondContact O-N 3.18Å; L13-F16 PolarHBondContact O-N 3.2Å; L13-K17 VanDerWaalsContact O-CG 3.28Å; L13-K17 WeakPolarHBondContact O-CG 3.27Å; L13-K17 PolarHBondContact O-N 3.01Å; L13-S63 VanDerWaalsContact CD1-OG 3.27Å; L13-S63 WeakPolarHBondContact CD1-OG 3.48Å; L13-F66 HydrophobicContact CD1-CB 4.03Å
14D86Confident84.4Confident34 Ų3446.4 Ų46.418%0.18225%0.251CS..Hα-helixtrans-70.8-42.6179.3-67.6-24.6000111.8E10 F11 F16 K17 E18E10-D14 PolarHBondContact O-N 3.04Å; F11-D14 PolarHBondContact O-N 2.89Å; D14-F16 VanDerWaalsContact C-N 3.28Å; D14-F16 PolarHBondContact O-N 2.93Å; D14-K17 PolarHBondContact O-N 3.3Å; D14-K17 IonicContact OD1-NZ 3.12Å; D14-K17 PolarHBondContact OD1-NZ 3.07Å; D14-E18 WeakPolarHBondContact O-CB 3.25Å; D14-E18 PolarHBondContact O-N 3.4Å
15V89.3Confident84.5Confident1 Ų143.5 Ų43.51%0.00625%0.249CC..Hα-helixtrans-58.9-42.6170.2174.40000110.6F11 E18 L19 F30 L35 L98F11-V15 HydrophobicContact CD1-CG2 4.33Å; F11-V15 HydrophobicContact CD2-CG2 4.25Å; F11-V15 HydrophobicContact CE1-CG2 3.84Å; F11-V15 HydrophobicContact CE2-CG2 3.76Å; F11-V15 HydrophobicContact CZ-CG2 3.53Å; F11-V15 WeakPolarHBondContact O-CG2 3.4Å; F11-V15 PolarHBondContact O-N 3.41Å; V15-E18 PolarHBondContact O-N 2.96Å; V15-L19 HydrophobicContact CG1-CD1 3.81Å; V15-L19 HydrophobicContact CG1-CG 4.25Å; V15-L19 WeakPolarHBondContact O-CB 3.06Å; V15-L19 VanDerWaalsContact O-CG 3.29Å; V15-L19 WeakPolarHBondContact O-CG 3.42Å; V15-L19 PolarHBondContact O-N 3.45Å; V15-F30 HydrophobicContact CB-CE2 3.91Å; V15-F30 HydrophobicContact CB-CZ 3.92Å; V15-F30 HydrophobicContact CG1-CD1 4.44Å; V15-F30 HydrophobicContact CG1-CD2 3.95Å; V15-F30 HydrophobicContact CG1-CE1 4.08Å; V15-F30 HydrophobicContact CG1-CE2 3.54Å; V15-F30 HydrophobicContact CG1-CG 4.39Å; V15-F30 HydrophobicContact CG1-CZ 3.62Å; V15-L35 HydrophobicContact CG1-CD1 4.13Å; V15-L98 HydrophobicContact CG1-CD1 4.16Å; V15-L98 HydrophobicContact CG2-CD2 4.47Å
16F89.9Confident84.9Confident26 Ų2647 Ų4711%0.11427%0.265CS..Hα-helixtrans-62.2-46.5178.2-176.6-88.3000112.4C12 L13 D14 E18 L19 N20 I28 F30 L170 C184 K186C12-F16 VanDerWaalsContact O-CB 3.26Å; C12-F16 WeakPolarHBondContact O-CB 3.48Å; C12-F16 PolarHBondContact O-N 3.14Å; L13-F16 PolarHBondContact O-N 3.2Å; D14-F16 VanDerWaalsContact C-N 3.28Å; D14-F16 PolarHBondContact O-N 2.93Å; F16-E18 VanDerWaalsContact C-N 3.33Å; F16-E18 PolarHBondContact O-N 2.91Å; F16-L19 PolarHBondContact O-N 3.4Å; F16-N20 HydrophobicContact CE1-CB 4.26Å; F16-N20 WeakPolarHBondContact O-CB 3.32Å; F16-N20 PolarHBondContact O-N 2.8Å; F16-I28 HydrophobicContact CD2-CD1 4.5Å; F16-I28 HydrophobicContact CD2-CG2 4.08Å; F16-I28 HydrophobicContact CE2-CB 4.23Å; F16-I28 HydrophobicContact CE2-CD1 4.05Å; F16-I28 HydrophobicContact CE2-CG2 4.15Å; F16-I28 HydrophobicContact CZ-CD1 4.26Å; F16-F30 HydrophobicContact CB-CE1 4.23Å; F16-F30 HydrophobicContact CB-CZ 4.14Å; F16-F30 HydrophobicContact CD2-CE1 4.23Å; F16-L170 HydrophobicContact CE1-CD2 4.29Å; F16-L170 HydrophobicContact CE2-CD2 3.98Å; F16-L170 HydrophobicContact CZ-CD2 3.45Å; F16-L170 VanDerWaalsContact CZ-CD2 3.45Å; F16-C184 VanDerWaalsContact CD2-SG 3.56Å; F16-K186 HydrophobicContact CE2-CB 3.84Å; F16-K186 HydrophobicContact CZ-CB 3.94Å; F16-K186 HydrophobicContact CZ-CD 4.26Å
17K87.8Confident85.4Confident112 Ų11246.9 Ų46.949%0.48726%0.263SS..Hα-helixtrans-59.5-45177.7-72.4168.3-161.5155.90111.3L13 D14 N20 S21L13-K17 VanDerWaalsContact O-CG 3.28Å; L13-K17 WeakPolarHBondContact O-CG 3.27Å; L13-K17 PolarHBondContact O-N 3.01Å; D14-K17 PolarHBondContact O-N 3.3Å; D14-K17 IonicContact OD1-NZ 3.12Å; D14-K17 PolarHBondContact OD1-NZ 3.07Å; K17-N20 PolarHBondContact O-N 2.85Å; K17-S21 WeakPolarHBondContact O-CB 3.37Å; K17-S21 PolarHBondContact O-N 2.89Å; K17-S21 PolarHBondContact O-OG 3.04Å
18E88.3Confident86.1Confident48 Ų4845.4 Ų45.422%0.22425%0.251CS..Hα-helixtrans-66-45-179.7-171.659.4-161.300111.3D14 V15 F16 N20 S21 N22 L98 S101D14-E18 WeakPolarHBondContact O-CB 3.25Å; D14-E18 PolarHBondContact O-N 3.4Å; V15-E18 PolarHBondContact O-N 2.96Å; F16-E18 VanDerWaalsContact C-N 3.33Å; F16-E18 PolarHBondContact O-N 2.91Å; E18-N20 PolarHBondContact O-N 2.91Å; E18-S21 PolarHBondContact O-N 3.37Å; E18-N22 PolarHBondContact O-N 3.29Å; E18-N22 PolarHBondContact O-ND2 3.09Å; E18-N22 PolarHBondContact OE1-ND2 3.02Å; E18-L98 HydrophobicContact CB-CD1 4.23Å; E18-L98 HydrophobicContact CB-CG 4.38Å; E18-L98 HydrophobicContact CG-CD1 4.04Å; E18-L98 HydrophobicContact CG-CG 3.83Å; E18-S101 VanDerWaalsContact OE1-CB 3.29Å; E18-S101 WeakPolarHBondContact OE1-CB 2.91Å; E18-S101 PolarHBondContact OE1-OG 2.66Å
19L89.6Confident86.5Confident11 Ų1145.5 Ų45.56%0.05825%0.251CS..Hα-helixtrans-64-40175.7-71.9176.4000112.4V15 F16 N22 N23 I28 F30 Y93 L98V15-L19 HydrophobicContact CG1-CD1 3.81Å; V15-L19 HydrophobicContact CG1-CG 4.25Å; V15-L19 WeakPolarHBondContact O-CB 3.06Å; V15-L19 VanDerWaalsContact O-CG 3.29Å; V15-L19 WeakPolarHBondContact O-CG 3.42Å; V15-L19 PolarHBondContact O-N 3.45Å; F16-L19 PolarHBondContact O-N 3.4Å; L19-N22 PolarHBondContact O-N 3.28Å; L19-N23 PolarHBondContact O-N 3.31Å; L19-N23 VanDerWaalsContact O-N 3.11Å; L19-N23 PolarHBondContact O-ND2 2.97Å; L19-I28 HydrophobicContact CB-CD1 4.3Å; L19-I28 HydrophobicContact CB-CG2 4.38Å; L19-I28 HydrophobicContact CD1-CG2 4.08Å; L19-F30 HydrophobicContact CD1-CD1 3.62Å; L19-F30 HydrophobicContact CD1-CE1 3.87Å; L19-F30 HydrophobicContact CD1-CG 4.3Å; L19-Y93 HydrophobicContact CD1-CD2 4.44Å; L19-Y93 HydrophobicContact CD1-CE1 4.49Å; L19-Y93 HydrophobicContact CD1-CE2 4.06Å; L19-Y93 HydrophobicContact CD2-CD1 3.94Å; L19-Y93 HydrophobicContact CD2-CE1 4Å; L19-Y93 HydrophobicContact CD2-CG 4.34Å; L19-L98 HydrophobicContact CD2-CD1 3.54Å; L19-L98 HydrophobicContact CG-CD1 3.65Å
20N87.3Confident87Confident52 Ų5244.8 Ų44.828%0.27825%0.247SC..Hα-helixtrans-71.3-35.3-179.3-17270.6000112.8F16 K17 E18 N22 N23 I28 K186F16-N20 HydrophobicContact CE1-CB 4.26Å; F16-N20 WeakPolarHBondContact O-CB 3.32Å; F16-N20 PolarHBondContact O-N 2.8Å; K17-N20 PolarHBondContact O-N 2.85Å; E18-N20 PolarHBondContact O-N 2.91Å; N20-N22 PolarHBondContact O-N 3.45Å; N20-N23 CarbonylContact O-C 3.53Å; N20-N23 PolarHBondContact O-N 3.02Å; N20-I28 HydrophobicContact CB-CD1 3.65Å; N20-K186 PolarHBondContact OD1-NZ 2.83Å
21S85.7Confident87.5Confident81 Ų8144.1 Ų44.157%0.56625%0.245SC*.Hα-helixtrans-65.6-30.8175.9-580000111.8K17 E18K17-S21 WeakPolarHBondContact O-CB 3.37Å; K17-S21 PolarHBondContact O-N 2.89Å; K17-S21 PolarHBondContact O-OG 3.04Å; E18-S21 PolarHBondContact O-N 3.37Å
22N79.4Confident87.8Confident104 Ų10443.9 Ų43.956%0.55624%0.244SC*.Hα-helixtrans-86.8-16.5177.9-70.1-52.8000113.9E18 L19 N20E18-N22 PolarHBondContact O-N 3.29Å; E18-N22 PolarHBondContact O-ND2 3.09Å; E18-N22 PolarHBondContact OE1-ND2 3.02Å; L19-N22 PolarHBondContact O-N 3.28Å; N20-N22 PolarHBondContact O-N 3.45Å
23N78.1Confident87.8Confident58 Ų5845.4 Ų45.431%0.3125%0.252SS..SBendtrans-141.168.1-173.2-51.8-81.5000111.5L19 N20 G25 D26L19-N23 PolarHBondContact O-N 3.31Å; L19-N23 VanDerWaalsContact O-N 3.11Å; L19-N23 PolarHBondContact O-ND2 2.97Å; N20-N23 CarbonylContact O-C 3.53Å; N20-N23 PolarHBondContact O-N 3.02Å; N23-G25 PolarHBondContact O-N 3.45Å; N23-D26 HydrophobicContact CB-CB 4.07Å; N23-D26 PolarHBondContact O-N 3.39Å
24I78Confident88.1Confident150 Ų15046.8 Ų46.877%0.76926%0.264SS*.THydrogen-bonded Turntrans-67.6121.1-179.1-58.1174.6000109.4
25G78.2Confident88.4Confident51 Ų5145.7 Ų45.753%0.52626%0.259SS..THydrogen-bonded Turntrans93-13.317800000115.4N23 A188N23-G25 PolarHBondContact O-N 3.45Å; G25-A188 WeakPolarHBondContact O-CB 3.38Å
26D87.6Confident88.3Confident93 Ų9346.2 Ų46.250%0.49726%0.261SS..SBendtrans-85.3155.9-179.1-66.8-24.7000112.8N23 K186N23-D26 HydrophobicContact CB-CB 4.07Å; N23-D26 PolarHBondContact O-N 3.39Å; D26-K186 WeakPolarHBondContact O-CE 3.45Å; D26-K186 PolarHBondContact O-NZ 3.37Å
27N91.4Very high88.3Confident52 Ų5250.9 Ų50.928%0.27828%0.279SS..  trans-63.3137.2169.9-67.9-22.6000110.4L89 K186 A188 S189N27-L89 HydrophobicContact CB-CD2 3.76Å; N27-K186 WeakPolarHBondContact CA-O 3.4Å; N27-A188 PolarHBondContact OD1-N 2.91Å; N27-S189 PolarHBondContact ND2-O 2.96Å; N27-S189 PolarHBondContact OD1-N 2.85Å; N27-S189 PolarHBondContact OD1-O 3.35Å
28I93.4Very high88.4Confident1 Ų147.8 Ų47.81%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-118.2134.7174.7-62.3171.7000107.2F16 L19 N20 F30 G185 K186F16-I28 HydrophobicContact CD2-CD1 4.5Å; F16-I28 HydrophobicContact CD2-CG2 4.08Å; F16-I28 HydrophobicContact CE2-CB 4.23Å; F16-I28 HydrophobicContact CE2-CD1 4.05Å; F16-I28 HydrophobicContact CE2-CG2 4.15Å; F16-I28 HydrophobicContact CZ-CD1 4.26Å; L19-I28 HydrophobicContact CB-CD1 4.3Å; L19-I28 HydrophobicContact CB-CG2 4.38Å; L19-I28 HydrophobicContact CD1-CG2 4.08Å; N20-I28 HydrophobicContact CB-CD1 3.65Å; I28-F30 HydrophobicContact CG2-CD1 3.82Å; I28-F30 HydrophobicContact CG2-CE1 3.91Å; I28-G185 CarbonylContact O-C 3.59Å; I28-G185 WeakPolarHBondContact O-CA 3.24Å; I28-K186 HydrophobicContact CB-CB 4.12Å; I28-K186 PolarHBondContact N-O 3.18Å; I28-K186 PolarHBondContact O-N 3.49Å
29F95.3Very high88.4Confident1 Ų146.5 Ų46.50%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-155.8122.9172.7-176.1-119.2000110.6L89 T91 Y93 S133 L135 F171 F183 C184F29-L89 HydrophobicContact CB-CB 4.22Å; F29-L89 HydrophobicContact CB-CD1 4.03Å; F29-L89 HydrophobicContact CD1-CB 4.2Å; F29-L89 HydrophobicContact CD2-CD1 4.49Å; F29-L89 HydrophobicContact CG-CB 4.29Å; F29-L89 HydrophobicContact CG-CD1 4.25Å; F29-T91 HydrophobicContact CB-CG2 3.83Å; F29-T91 WeakPolarHBondContact O-CB 3.29Å; F29-T91 PolarHBondContact O-OG1 2.98Å; F29-Y93 PolarHBondContact N-OH 3.2Å; F29-Y93 VanDerWaalsContact O-CE2 3.29Å; F29-Y93 WeakPolarHBondContact O-CE2 3.48Å; F29-S133 PolarHBondContact O-OG 2.94Å; F29-S133 VanDerWaalsContact O-OG 3.07Å; F29-L135 HydrophobicContact CD1-CB 4.18Å; F29-L135 HydrophobicContact CD2-CD2 4.42Å; F29-L135 HydrophobicContact CE1-CB 3.49Å; F29-L135 VanDerWaalsContact CE1-CB 3.49Å; F29-L135 HydrophobicContact CE2-CB 4.2Å; F29-L135 HydrophobicContact CE2-CD2 3.84Å; F29-L135 HydrophobicContact CZ-CB 3.51Å; F29-L135 HydrophobicContact CZ-CD2 3.96Å; F29-L135 HydrophobicContact CZ-CG 4.23Å; F29-F171 AromaticContact CD2-CE2 3.89Å; F29-F171 HydrophobicContact CD2-CE2 3.89Å; F29-F171 AromaticContact CD2-CZ 3.69Å; F29-F171 HydrophobicContact CD2-CZ 3.69Å; F29-F171 AromaticContact CE2-CE2 3.79Å; F29-F171 HydrophobicContact CE2-CE2 3.79Å; F29-F171 HydrophobicContact CE2-CZ 4.05Å; F29-F183 HydrophobicContact CE1-CD1 4.03Å; F29-F183 HydrophobicContact CE1-CE1 4.38Å; F29-F183 HydrophobicContact CE2-CB 3.67Å; F29-F183 AromaticContact CE2-CD1 3.85Å; F29-F183 HydrophobicContact CE2-CD1 3.85Å; F29-F183 HydrophobicContact CE2-CG 4.07Å; F29-F183 HydrophobicContact CZ-CB 3.99Å; F29-F183 AromaticContact CZ-CD1 3.34Å; F29-F183 HydrophobicContact CZ-CD1 3.34Å; F29-F183 AromaticContact CZ-CE1 4Å; F29-F183 HydrophobicContact CZ-CE1 4Å; F29-F183 AromaticContact CZ-CG 3.85Å; F29-F183 HydrophobicContact CZ-CG 3.85Å; F29-C184 WeakPolarHBondContact CA-O 3.28Å; F29-C184 WeakPolarHBondContact CD2-O 3.4Å
30F95.4Very high88.3Confident0 Ų047.6 Ų47.60%028%0.278CS..EExtended strand (participates in β ladder)trans-152.1163.317763.1-83.9000111.6C12 V15 F16 L19 I28 L35 Y93 F183 C184C12-F30 WeakPolarHBondContact O-CZ 3.39Å; V15-F30 HydrophobicContact CB-CE2 3.91Å; V15-F30 HydrophobicContact CB-CZ 3.92Å; V15-F30 HydrophobicContact CG1-CD1 4.44Å; V15-F30 HydrophobicContact CG1-CD2 3.95Å; V15-F30 HydrophobicContact CG1-CE1 4.08Å; V15-F30 HydrophobicContact CG1-CE2 3.54Å; V15-F30 HydrophobicContact CG1-CG 4.39Å; V15-F30 HydrophobicContact CG1-CZ 3.62Å; F16-F30 HydrophobicContact CB-CE1 4.23Å; F16-F30 HydrophobicContact CB-CZ 4.14Å; F16-F30 HydrophobicContact CD2-CE1 4.23Å; L19-F30 HydrophobicContact CD1-CD1 3.62Å; L19-F30 HydrophobicContact CD1-CE1 3.87Å; L19-F30 HydrophobicContact CD1-CG 4.3Å; I28-F30 HydrophobicContact CG2-CD1 3.82Å; I28-F30 HydrophobicContact CG2-CE1 3.91Å; F30-L35 HydrophobicContact CD2-CD1 3.76Å; F30-L35 HydrophobicContact CE2-CD1 4.42Å; F30-L35 HydrophobicContact CG-CD1 4.49Å; F30-Y93 HydrophobicContact CB-CD2 4.43Å; F30-Y93 HydrophobicContact CB-CE2 4.1Å; F30-F183 WeakPolarHBondContact O-CA 3.47Å; F30-C184 HydrophobicContact CE1-CB 4.15Å; F30-C184 HydrophobicContact CE2-CB 4.39Å; F30-C184 HydrophobicContact CZ-CB 3.95Å; F30-C184 PolarHBondContact N-O 2.98Å; F30-C184 PolarHBondContact O-N 3.39Å
31S95.7Very high88.4Confident12 Ų1251.1 Ų51.18%0.08429%0.294CS..  trans-95.3107.7172.8179.80000109.9L33 S34 L35 H131 L182S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 3.36Å; S31-S34 WeakPolarHBondContact OG-CB 3.27Å; S31-S34 PolarHBondContact OG-N 2.83Å; S31-L35 VanDerWaalsContact O-CG 3.31Å; S31-L35 WeakPolarHBondContact O-CG 3.43Å; S31-L35 PolarHBondContact O-N 2.68Å; S31-H131 PolarHBondContact N-NE2 3.14Å; S31-L182 VanDerWaalsContact CA-O 3.24Å; S31-L182 WeakPolarHBondContact CA-O 3.45Å; S31-L182 WeakPolarHBondContact CB-O 3.16Å; S31-L182 PolarHBondContact OG-O 3.44Å
32S92Very high88.6Confident0 Ų048.5 Ų48.50%027%0.274CS..Hα-helixtrans-58.7-47.4175.4179.60000111.2N8 C12 S34 L35 L36 L182N8-S32 PolarHBondContact O-OG 3.05Å; N8-S32 PolarHBondContact OD1-OG 3.24Å; C12-S32 VanDerWaalsContact CB-OG 3.29Å; C12-S32 WeakPolarHBondContact CB-OG 3.19Å; S32-S34 PolarHBondContact O-N 3.2Å; S32-L35 PolarHBondContact O-N 2.84Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 PolarHBondContact O-N 3.06Å; S32-L182 PolarHBondContact N-O 3.5Å
33L89.6Confident89.1Confident32 Ų3244.7 Ų44.717%0.16825%0.254CS..Hα-helixtrans-64.1-41.5-175.4-173.161.2000112.3N8 S31 L35 L36 Y37 T180 L182N8-L33 PolarHBondContact OD1-N 3.43Å; S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 3.36Å; L33-L35 PolarHBondContact O-N 2.84Å; L33-L36 PolarHBondContact O-N 3.03Å; L33-Y37 HydrophobicContact CD1-CD2 3.8Å; L33-Y37 HydrophobicContact CD1-CE2 3.3Å; L33-Y37 HydrophobicContact CD2-CE2 3.91Å; L33-Y37 HydrophobicContact CG-CD2 3.72Å; L33-Y37 HydrophobicContact CG-CE2 3.42Å; L33-Y37 VanDerWaalsContact CG-CE2 3.42Å; L33-Y37 WeakPolarHBondContact O-CD2 3.43Å; L33-Y37 PolarHBondContact O-N 2.96Å; L33-T180 HydrophobicContact CD1-CG2 3.88Å; L33-T180 HydrophobicContact CD2-CG2 4.24Å; L33-L182 HydrophobicContact CD2-CD2 3.52Å
34S92.5Very high89.7Confident63 Ų6348.4 Ų48.444%0.44127%0.273SS..Hα-helixtrans-63.2-42.1177.6-174.50000112.1S31 S32 A38S31-S34 WeakPolarHBondContact OG-CB 3.27Å; S31-S34 PolarHBondContact OG-N 2.83Å; S32-S34 PolarHBondContact O-N 3.2Å; S34-A38 WeakPolarHBondContact O-CB 3.3Å; S34-A38 PolarHBondContact O-N 3Å; S34-A38 VanDerWaalsContact O-N 3.09Å
35L91.8Very high90.3Very high11 Ų1141.4 Ų41.46%0.05824%0.238CC..Hα-helixtrans-65.6-44.7178.3-71.9-176.8000111.3F11 V15 F30 S31 S32 L33 A38 L39 L95 H131F11-L35 HydrophobicContact CE1-CB 3.55Å; F11-L35 HydrophobicContact CE1-CD1 4.37Å; F11-L35 HydrophobicContact CZ-CB 3.85Å; V15-L35 HydrophobicContact CG1-CD1 4.13Å; F30-L35 HydrophobicContact CD2-CD1 3.76Å; F30-L35 HydrophobicContact CE2-CD1 4.42Å; F30-L35 HydrophobicContact CG-CD1 4.49Å; S31-L35 VanDerWaalsContact O-CG 3.31Å; S31-L35 WeakPolarHBondContact O-CG 3.43Å; S31-L35 PolarHBondContact O-N 2.68Å; S32-L35 PolarHBondContact O-N 2.84Å; L33-L35 PolarHBondContact O-N 2.84Å; L35-A38 PolarHBondContact O-N 2.93Å; L35-L39 WeakPolarHBondContact O-CG 3.15Å; L35-L39 PolarHBondContact O-N 2.85Å; L35-L95 HydrophobicContact CD2-CD1 3.31Å; L35-L95 HydrophobicContact CD2-CD2 4.32Å; L35-L95 HydrophobicContact CD2-CG 4.42Å; L35-H131 HydrophobicContact CD2-CB 3.79Å
36L87.9Confident91.1Very high12 Ų1239 Ų396%0.06321%0.213CC..Hα-helixtrans-60.2-49178.2-17563.8000111.2N8 F11 S32 L33 A38 L39 S40N8-L36 HydrophobicContact CB-CD2 3.81Å; F11-L36 HydrophobicContact CB-CD1 4.45Å; F11-L36 HydrophobicContact CD1-CB 4.09Å; F11-L36 HydrophobicContact CD1-CD1 4.37Å; F11-L36 HydrophobicContact CE1-CB 4.26Å; F11-L36 HydrophobicContact CG-CD1 4.19Å; S32-L36 WeakPolarHBondContact O-CB 3.47Å; S32-L36 PolarHBondContact O-N 3.06Å; L33-L36 PolarHBondContact O-N 3.03Å; L36-A38 VanDerWaalsContact C-N 3.33Å; L36-A38 PolarHBondContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 3.41Å; L36-S40 PolarHBondContact O-N 3.43Å; L36-S40 PolarHBondContact O-OG 2.58Å
37Y88.7Confident91.4Very high125 Ų12539 Ų3949%0.4921%0.206SC..Hα-helixtrans-62.1-39.1177.5-79.7-55000113.2L33 L39 S40 M41L33-Y37 HydrophobicContact CD1-CD2 3.8Å; L33-Y37 HydrophobicContact CD1-CE2 3.3Å; L33-Y37 HydrophobicContact CD2-CE2 3.91Å; L33-Y37 HydrophobicContact CG-CD2 3.72Å; L33-Y37 HydrophobicContact CG-CE2 3.42Å; L33-Y37 VanDerWaalsContact CG-CE2 3.42Å; L33-Y37 WeakPolarHBondContact O-CD2 3.43Å; L33-Y37 PolarHBondContact O-N 2.96Å; Y37-L39 VanDerWaalsContact C-N 3.32Å; Y37-L39 PolarHBondContact O-N 2.94Å; Y37-S40 PolarHBondContact O-N 3.28Å; Y37-M41 WeakPolarHBondContact O-CG 3.16Å; Y37-M41 PolarHBondContact O-N 3Å
38A89.9Confident91.4Very high46 Ų4638.4 Ų38.438%0.3821%0.212SC..Hα-helixtrans-61.3-43.317600000111.4S34 L35 L36 M41 V42S34-A38 WeakPolarHBondContact O-CB 3.3Å; S34-A38 PolarHBondContact O-N 3Å; S34-A38 VanDerWaalsContact O-N 3.09Å; L35-A38 PolarHBondContact O-N 2.93Å; L36-A38 VanDerWaalsContact C-N 3.33Å; L36-A38 PolarHBondContact O-N 3.14Å; A38-M41 PolarHBondContact O-N 3.34Å; A38-V42 WeakPolarHBondContact O-CG2 3.2Å; A38-V42 PolarHBondContact O-N 3.17Å
39L88.8Confident91.4Very high21 Ų2143.2 Ų43.211%0.1124%0.235CC..Hα-helixtrans-64.8-44.3175.7-70.6171.5000112F11 L35 L36 Y37 M41 V42 L43 L54 L99F11-L39 HydrophobicContact CE2-CD1 3.45Å; F11-L39 VanDerWaalsContact CE2-CD1 3.45Å; F11-L39 HydrophobicContact CZ-CD1 3.55Å; L35-L39 WeakPolarHBondContact O-CG 3.15Å; L35-L39 PolarHBondContact O-N 2.85Å; L36-L39 PolarHBondContact O-N 3.41Å; Y37-L39 VanDerWaalsContact C-N 3.32Å; Y37-L39 PolarHBondContact O-N 2.94Å; L39-M41 VanDerWaalsContact C-N 3.32Å; L39-M41 PolarHBondContact O-N 3.07Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-V42 VanDerWaalsContact O-N 3.14Å; L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 PolarHBondContact O-N 3.41Å; L39-L54 HydrophobicContact CD2-CD2 4.09Å; L39-L99 HydrophobicContact CD1-CD2 4.16Å; L39-L99 HydrophobicContact CD2-CD1 4.17Å; L39-L99 HydrophobicContact CD2-CD2 3.91Å
40S88.2Confident91.3Very high35 Ų3543.2 Ų43.225%0.24524%0.235CC..Hα-helixtrans-61.2-39.8177.4-57.70000112.2L36 Y37 V42 L43 L44L36-S40 PolarHBondContact O-N 3.43Å; L36-S40 PolarHBondContact O-OG 2.58Å; Y37-S40 PolarHBondContact O-N 3.28Å; S40-V42 VanDerWaalsContact C-N 3.33Å; S40-V42 PolarHBondContact O-N 2.8Å; S40-L43 PolarHBondContact O-N 3.24Å; S40-L44 WeakPolarHBondContact O-CG 3.43Å; S40-L44 PolarHBondContact O-N 3.09Å
41M89.3Confident91.2Very high126 Ų12646.1 Ų46.162%0.62125%0.248SC*.Hα-helixtrans-61.8-40.6175-74.9-171.7-66.800112.3Y37 A38 L39Y37-M41 WeakPolarHBondContact O-CG 3.16Å; Y37-M41 PolarHBondContact O-N 3Å; A38-M41 PolarHBondContact O-N 3.34Å; L39-M41 VanDerWaalsContact C-N 3.32Å; L39-M41 PolarHBondContact O-N 3.07Å
42V90.4Very high91Very high26 Ų2651.4 Ų51.416%0.15827%0.272CS..Hα-helixtrans-69.4-42.3177.2175.80000110.8A38 L39 S40 L44 G45 A46 L54 L107 L115A38-V42 WeakPolarHBondContact O-CG2 3.2Å; A38-V42 PolarHBondContact O-N 3.17Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-V42 VanDerWaalsContact O-N 3.14Å; S40-V42 VanDerWaalsContact C-N 3.33Å; S40-V42 PolarHBondContact O-N 2.8Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 3.27Å; V42-G45 CarbonylContact O-C 3.33Å; V42-G45 WeakPolarHBondContact O-CA 3.48Å; V42-G45 PolarHBondContact O-N 2.83Å; V42-A46 PolarHBondContact O-N 3.42Å; V42-L54 HydrophobicContact CG1-CD1 3.95Å; V42-L107 HydrophobicContact CG1-CD1 3.53Å; V42-L107 HydrophobicContact CG1-CD2 3.9Å; V42-L107 HydrophobicContact CG1-CG 4.38Å; V42-L115 HydrophobicContact CG1-CD2 4.03Å
43L90.1Very high90.8Very high23 Ų2352.4 Ų52.412%0.1228%0.276CS..Hα-helixtrans-57.3-44.8177.6174.662.3000111.8L39 S40 G45 A46 E51 L54 E55 E58L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 PolarHBondContact O-N 3.41Å; S40-L43 PolarHBondContact O-N 3.24Å; L43-G45 PolarHBondContact O-N 3.33Å; L43-A46 PolarHBondContact O-N 3.25Å; L43-E51 HydrophobicContact CD1-CG 3.93Å; L43-L54 HydrophobicContact CB-CB 4.35Å; L43-L54 HydrophobicContact CB-CD1 4.38Å; L43-L54 HydrophobicContact CD1-CB 3.66Å; L43-L54 HydrophobicContact CD1-CD1 4.49Å; L43-L54 HydrophobicContact CG-CB 4.49Å; L43-E55 HydrophobicContact CD1-CG 3.95Å; L43-E58 HydrophobicContact CD2-CG 4.47Å; L43-E58 WeakPolarHBondContact CD2-OE1 3.33Å
44L89.7Confident90.6Very high136 Ų13651.2 Ų51.271%0.71227%0.27SS*.Hα-helixtrans-56.2-28.9177.1-72171.6000113.2S40 V42 R47S40-L44 WeakPolarHBondContact O-CG 3.43Å; S40-L44 PolarHBondContact O-N 3.09Å; V42-L44 VanDerWaalsContact C-N 3.34Å; V42-L44 PolarHBondContact O-N 3.27Å; L44-R47 PolarHBondContact O-NH1 2.88Å
45G91.5Very high90.3Very high4 Ų451.3 Ų51.34%0.04126%0.263CS..Hα-helixtrans-94.4-15.7178.500000115.6V42 L43 L115 G117 M118V42-G45 CarbonylContact O-C 3.33Å; V42-G45 WeakPolarHBondContact O-CA 3.48Å; V42-G45 PolarHBondContact O-N 2.83Å; L43-G45 PolarHBondContact O-N 3.33Å; G45-L115 CarbonylContact O-C 3.54Å; G45-L115 WeakPolarHBondContact O-CA 3.33Å; G45-G117 VanDerWaalsContact O-CA 3.25Å; G45-G117 WeakPolarHBondContact O-CA 3.4Å; G45-G117 PolarHBondContact O-N 3.28Å; G45-M118 VanDerWaalsContact CA-CG 3.44Å
46A93.3Very high89.8Confident0 Ų056.2 Ų56.20%028%0.284CS..  trans-79.8150.2-177.400000111.6V42 L43 T50 E51 L54 D114 L115V42-A46 PolarHBondContact O-N 3.42Å; L43-A46 PolarHBondContact O-N 3.25Å; A46-T50 HydrophobicContact CB-CG2 3.89Å; A46-E51 HydrophobicContact CB-CB 4.2Å; A46-L54 HydrophobicContact CB-CD1 3.72Å; A46-D114 CarbonylContact C-O 3.54Å; A46-D114 VanDerWaalsContact CA-O 3.27Å; A46-D114 WeakPolarHBondContact CA-O 3.37Å; A46-L115 HydrophobicContact CB-CD2 4.17Å
47R94Very high89.2Confident94 Ų9456.1 Ų56.136%0.35528%0.284SS..  trans-135.1162.5175-61.4-65.4178.9-96.3-1.2111.2L44 T50 E51 D114 S116L44-R47 PolarHBondContact O-NH1 2.88Å; R47-T50 PolarHBondContact O-N 3.28Å; R47-E51 PolarHBondContact O-N 3.26Å; R47-D114 HydrophobicContact CB-CB 4.45Å; R47-D114 PolarHBondContact N-O 3.21Å; R47-S116 WeakPolarHBondContact CG-OG 3.27Å
48G93.1Very high88.2Confident39 Ų3954.1 Ų54.140%0.40228%0.279SS..Hα-helixtrans57.8-137.2174.200000112.8T50 E51 E52G48-T50 PolarHBondContact O-N 3.42Å; G48-E51 WeakPolarHBondContact O-CB 3.36Å; G48-E51 PolarHBondContact O-N 3.48Å; G48-E52 PolarHBondContact O-N 3.16Å
49E92.9Very high87.2Confident102 Ų10259.1 Ų59.148%0.47729%0.292SS..Hα-helixtrans-59.3-31.3-178.7-177.468.2-14300113E52 Q53 D106E49-E52 PolarHBondContact O-N 3.43Å; E49-Q53 WeakPolarHBondContact O-CB 3.21Å; E49-Q53 VanDerWaalsContact O-CG 3.28Å; E49-Q53 WeakPolarHBondContact O-CG 3.41Å; E49-Q53 PolarHBondContact O-N 3.49Å; E49-Q53 PolarHBondContact OE1-NE2 3.2Å; E49-Q53 VanDerWaalsContact OE1-NE2 3.16Å; E49-D106 WeakPolarHBondContact CG-OD2 3.46Å
50T92.3Very high85.9Confident1 Ų163.1 Ų63.11%0.00631%0.31CS..Hα-helixtrans-66.7-39.8176.8-57.90000111.1A46 R47 G48 L54 L107 D114A46-T50 HydrophobicContact CB-CG2 3.89Å; R47-T50 PolarHBondContact O-N 3.28Å; G48-T50 PolarHBondContact O-N 3.42Å; T50-L54 HydrophobicContact CG2-CD1 4.26Å; T50-L54 WeakPolarHBondContact O-CD1 3.26Å; T50-L54 WeakPolarHBondContact O-CG 3.26Å; T50-L54 PolarHBondContact O-N 2.95Å; T50-L107 HydrophobicContact CG2-CB 4.14Å; T50-L107 HydrophobicContact CG2-CD1 4.2Å; T50-D114 PolarHBondContact OG1-N 2.93Å; T50-D114 VanDerWaalsContact OG1-N 3.1Å
51E92.8Very high84.5Confident61 Ų6162.2 Ų62.229%0.28530%0.303SS..Hα-helixtrans-65.8-47.3174.9-176.8175.2-157.400110.7L43 A46 R47 G48 Q53 L54 E55L43-E51 HydrophobicContact CD1-CG 3.93Å; A46-E51 HydrophobicContact CB-CB 4.2Å; R47-E51 PolarHBondContact O-N 3.26Å; G48-E51 WeakPolarHBondContact O-CB 3.36Å; G48-E51 PolarHBondContact O-N 3.48Å; E51-Q53 VanDerWaalsContact C-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.49Å; E51-L54 PolarHBondContact O-N 3.35Å; E51-L54 VanDerWaalsContact O-N 3.13Å; E51-E55 HydrophobicContact CG-CG 4.5Å; E51-E55 WeakPolarHBondContact O-CG 3.42Å; E51-E55 PolarHBondContact O-N 3.13Å
52E91.5Very high82.9Confident123 Ų12362.2 Ų62.258%0.57531%0.305SS*.Hα-helixtrans-59.4-41.3178.9-68.4-177.3-164.400112.7G48 E49 K56G48-E52 PolarHBondContact O-N 3.16Å; E49-E52 PolarHBondContact O-N 3.43Å; E52-K56 WeakPolarHBondContact O-CB 3.16Å; E52-K56 PolarHBondContact O-N 3.35Å
53Q89.6Confident81.2Confident21 Ų2162 Ų6210%0.09830%0.304CS..Hα-helixtrans-64.1-40.3175.8-73.3175.69.200112.4E49 E51 K56 I57 V104E49-Q53 WeakPolarHBondContact O-CB 3.21Å; E49-Q53 VanDerWaalsContact O-CG 3.28Å; E49-Q53 WeakPolarHBondContact O-CG 3.41Å; E49-Q53 PolarHBondContact O-N 3.49Å; E49-Q53 PolarHBondContact OE1-NE2 3.2Å; E49-Q53 VanDerWaalsContact OE1-NE2 3.16Å; E51-Q53 VanDerWaalsContact C-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.49Å; Q53-K56 PolarHBondContact O-N 2.85Å; Q53-I57 PolarHBondContact O-N 3.28Å; Q53-V104 HydrophobicContact CB-CG2 4.22Å
54L84.4Confident79.6Confident6 Ų663.5 Ų63.53%0.03133%0.326CS..Hα-helixtrans-71-42.5177.8-75.5165.3000111.7L39 V42 L43 A46 T50 E51 K56 I57 E58 V104 L107L39-L54 HydrophobicContact CD2-CD2 4.09Å; V42-L54 HydrophobicContact CG1-CD1 3.95Å; L43-L54 HydrophobicContact CB-CB 4.35Å; L43-L54 HydrophobicContact CB-CD1 4.38Å; L43-L54 HydrophobicContact CD1-CB 3.66Å; L43-L54 HydrophobicContact CD1-CD1 4.49Å; L43-L54 HydrophobicContact CG-CB 4.49Å; A46-L54 HydrophobicContact CB-CD1 3.72Å; T50-L54 HydrophobicContact CG2-CD1 4.26Å; T50-L54 WeakPolarHBondContact O-CD1 3.26Å; T50-L54 WeakPolarHBondContact O-CG 3.26Å; T50-L54 PolarHBondContact O-N 2.95Å; E51-L54 PolarHBondContact O-N 3.35Å; E51-L54 VanDerWaalsContact O-N 3.13Å; L54-K56 PolarHBondContact O-N 3.47Å; L54-I57 PolarHBondContact O-N 2.96Å; L54-E58 PolarHBondContact O-N 2.84Å; L54-V104 HydrophobicContact CD2-CG1 4.03Å; L54-V104 HydrophobicContact CD2-CG2 3.77Å; L54-V104 HydrophobicContact CG-CG1 4.41Å; L54-V104 HydrophobicContact CG-CG2 4.12Å; L54-L107 HydrophobicContact CD2-CD2 4.31Å
55E85.4Confident78.1Confident65 Ų6560.6 Ų60.630%0.30431%0.314SS..Hα-helixtrans-61.6-34.5173.9-74.4-163.6170.200112.2L43 E51 I57 E58 K59L43-E55 HydrophobicContact CD1-CG 3.95Å; E51-E55 HydrophobicContact CG-CG 4.5Å; E51-E55 WeakPolarHBondContact O-CG 3.42Å; E51-E55 PolarHBondContact O-N 3.13Å; E55-I57 VanDerWaalsContact C-N 3.32Å; E55-I57 PolarHBondContact O-N 2.72Å; E55-E58 PolarHBondContact O-N 3.32Å; E55-K59 WeakPolarHBondContact O-CB 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.15Å; E55-K59 PolarHBondContact O-N 2.9Å; E55-K59 IonicContact OE2-NZ 3.14Å; E55-K59 PolarHBondContact OE2-NZ 3.38Å
56K82.4Confident76.8Confident115 Ų11561.1 Ų61.150%0.532%0.315SS..Hα-helixtrans-63.5-39.5177.2-175179.1176.1-175.80111.3E52 Q53 L54 E58 K59 Q60E52-K56 WeakPolarHBondContact O-CB 3.16Å; E52-K56 PolarHBondContact O-N 3.35Å; Q53-K56 PolarHBondContact O-N 2.85Å; L54-K56 PolarHBondContact O-N 3.47Å; K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 2.92Å; K56-K59 PolarHBondContact O-N 2.68Å; K56-Q60 VanDerWaalsContact CE-NE2 3.3Å; K56-Q60 HydrophobicContact CG-CG 4.14Å; K56-Q60 WeakPolarHBondContact O-CB 3.48Å; K56-Q60 VanDerWaalsContact O-CG 3.27Å; K56-Q60 WeakPolarHBondContact O-CG 3.43Å; K56-Q60 PolarHBondContact O-N 3.32Å
57I74.1Confident75.6Confident10 Ų1067.1 Ų67.15%0.05134%0.343CS..Hα-helixtrans-60.2-44.7172.7-67.1-169.4000110.1F11 Q53 L54 E55 K59 Q60 L61 L99 L102 V104F11-I57 HydrophobicContact CD2-CG2 4.39Å; F11-I57 HydrophobicContact CE2-CG2 4.36Å; Q53-I57 PolarHBondContact O-N 3.28Å; L54-I57 PolarHBondContact O-N 2.96Å; E55-I57 VanDerWaalsContact C-N 3.32Å; E55-I57 PolarHBondContact O-N 2.72Å; I57-K59 VanDerWaalsContact C-N 3.28Å; I57-K59 PolarHBondContact O-N 3.23Å; I57-Q60 PolarHBondContact O-N 2.82Å; I57-L61 WeakPolarHBondContact O-CD2 3.35Å; I57-L61 VanDerWaalsContact O-CG 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.43Å; I57-L99 HydrophobicContact CD1-CD2 4.48Å; I57-L102 HydrophobicContact CD1-CB 3.6Å; I57-L102 HydrophobicContact CD1-CD1 4.42Å; I57-L102 HydrophobicContact CG1-CB 4.16Å; I57-V104 HydrophobicContact CD1-CB 4.08Å; I57-V104 HydrophobicContact CD1-CG2 3.25Å; I57-V104 HydrophobicContact CG1-CG2 3.85Å
58E68.9Low74.2Confident83 Ų8368.3 Ų68.339%0.38835%0.353SS..Hα-helixtrans-63.6-31.4177.1-68-166.7161.100113.3L43 L54 E55 K56 L61L43-E58 HydrophobicContact CD2-CG 4.47Å; L43-E58 WeakPolarHBondContact CD2-OE1 3.33Å; L54-E58 PolarHBondContact O-N 2.84Å; E55-E58 PolarHBondContact O-N 3.32Å; K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 2.92Å; E58-L61 WeakPolarHBondContact O-CD1 3.47Å; E58-L61 VanDerWaalsContact O-CG 3.27Å; E58-L61 WeakPolarHBondContact O-CG 3.42Å
59K67.8Low72.8Confident151 Ų15175.1 Ų75.166%0.65737%0.366SS*.Hα-helixtrans-86.4-22-179.8-69.9169.3-171160.10113.9E55 K56 I57 L61E55-K59 WeakPolarHBondContact O-CB 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.15Å; E55-K59 PolarHBondContact O-N 2.9Å; E55-K59 IonicContact OE2-NZ 3.14Å; E55-K59 PolarHBondContact OE2-NZ 3.38Å; K56-K59 PolarHBondContact O-N 2.68Å; I57-K59 VanDerWaalsContact C-N 3.28Å; I57-K59 PolarHBondContact O-N 3.23Å; K59-L61 PolarHBondContact O-N 2.87Å
60Q62.1Low71.6Confident104 Ų10471.7 Ų71.749%0.48635%0.352SS..Hα-helixtrans-78.7-8.3178.8-80.4-175-32.200113.6K56 I57 N62K56-Q60 VanDerWaalsContact CE-NE2 3.3Å; K56-Q60 HydrophobicContact CG-CG 4.14Å; K56-Q60 WeakPolarHBondContact O-CB 3.48Å; K56-Q60 VanDerWaalsContact O-CG 3.27Å; K56-Q60 WeakPolarHBondContact O-CG 3.43Å; K56-Q60 PolarHBondContact O-N 3.32Å; I57-Q60 PolarHBondContact O-N 2.82Å; Q60-N62 PolarHBondContact O-N 3.37Å
61L59.3Low70.6Confident17 Ų1772.7 Ų72.79%0.08936%0.359CS..  trans-61.4114.2174.5-58.9-171000110.2A7 E10 F11 I57 E58 K59A7-L61 HydrophobicContact CB-CD1 4.13Å; A7-L61 WeakPolarHBondContact O-CD1 3.46Å; E10-L61 HydrophobicContact CB-CB 3.48Å; E10-L61 VanDerWaalsContact CB-CB 3.48Å; E10-L61 HydrophobicContact CB-CD2 4.35Å; E10-L61 HydrophobicContact CB-CG 4.33Å; E10-L61 HydrophobicContact CG-CB 4.34Å; E10-L61 VanDerWaalsContact OE2-C 3.27Å; E10-L61 VanDerWaalsContact OE2-CB 3.32Å; E10-L61 WeakPolarHBondContact OE2-CB 3.35Å; E10-L61 VanDerWaalsContact OE2-O 3.1Å; F11-L61 VanDerWaalsContact CA-CD2 3.4Å; F11-L61 HydrophobicContact CB-CD1 3.92Å; F11-L61 HydrophobicContact CB-CD2 3.7Å; F11-L61 HydrophobicContact CB-CG 4.45Å; F11-L61 HydrophobicContact CD2-CD2 4.19Å; F11-L61 HydrophobicContact CG-CD2 4.46Å; I57-L61 WeakPolarHBondContact O-CD2 3.35Å; I57-L61 VanDerWaalsContact O-CG 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.43Å; E58-L61 WeakPolarHBondContact O-CD1 3.47Å; E58-L61 VanDerWaalsContact O-CG 3.27Å; E58-L61 WeakPolarHBondContact O-CG 3.42Å; K59-L61 PolarHBondContact O-N 2.87Å
62N54.9Low69.5Low126 Ų12674.8 Ų74.867%0.67438%0.381SS*.  trans-148.8126.9173.8-165.52.8000112.5E10 Q60E10-N62 VanDerWaalsContact CD-CA 3.42Å; E10-N62 VanDerWaalsContact OE1-CA 3.24Å; E10-N62 WeakPolarHBondContact OE1-CA 3.47Å; Q60-N62 PolarHBondContact O-N 3.37Å
63S55.4Low68.8Low20 Ų2073.3 Ų73.314%0.1438%0.384CS..  trans-160.3105.2173.1160.50000112.8E10 L13 F66E10-S63 PolarHBondContact OE1-N 2.83Å; L13-S63 VanDerWaalsContact CD1-OG 3.27Å; L13-S63 WeakPolarHBondContact CD1-OG 3.48Å; S63-F66 PolarHBondContact OG-N 3.01Å
64G56.6Low68.2Low56 Ų5677.2 Ų77.258%0.57741%0.406SS*.SBendtrans-76.1-28.8163.200000114.1E68G64-E68 PolarHBondContact O-N 2.92Å
65T57.8Low68Low75 Ų7582.1 Ų82.146%0.4643%0.43SS..Hα-helixtrans-75.9-40-164.6-47.30000114.3H67 E68 W69T65-H67 VanDerWaalsContact C-N 3.33Å; T65-H67 PolarHBondContact O-N 2.63Å; T65-E68 PolarHBondContact O-N 2.93Å; T65-W69 HydrophobicContact CG2-CD2 4.25Å; T65-W69 HydrophobicContact CG2-CH2 4.19Å; T65-W69 HydrophobicContact CG2-CZ2 3.66Å; T65-W69 PolarHBondContact O-N 3.42Å
66F64.8Low67.9Low14 Ų1487.3 Ų87.36%0.06146%0.456CS..Hα-helixtrans-67-35.8179.9-177.7-91000112.5V9 L13 S63 E68 W69 T70 F172 I181V9-F66 HydrophobicContact CB-CD1 4.29Å; V9-F66 HydrophobicContact CG1-CB 3.72Å; V9-F66 HydrophobicContact CG1-CD1 3.37Å; V9-F66 HydrophobicContact CG1-CE1 4.16Å; V9-F66 HydrophobicContact CG1-CG 3.69Å; V9-F66 HydrophobicContact CG2-CD1 3.85Å; V9-F66 HydrophobicContact CG2-CE1 3.9Å; L13-F66 HydrophobicContact CD1-CB 4.03Å; S63-F66 PolarHBondContact OG-N 3.01Å; F66-E68 VanDerWaalsContact C-N 3.33Å; F66-W69 PolarHBondContact O-N 2.98Å; F66-T70 HydrophobicContact CD1-CG2 4.2Å; F66-T70 HydrophobicContact CD2-CG2 4.14Å; F66-T70 HydrophobicContact CE1-CG2 3.86Å; F66-T70 WeakPolarHBondContact CE1-OG1 3.24Å; F66-T70 HydrophobicContact CE2-CG2 3.79Å; F66-T70 HydrophobicContact CG-CG2 4.35Å; F66-T70 HydrophobicContact CZ-CG2 3.65Å; F66-T70 WeakPolarHBondContact O-CB 3.46Å; F66-T70 WeakPolarHBondContact O-CG2 3.48Å; F66-T70 PolarHBondContact O-N 2.87Å; F66-T70 PolarHBondContact O-OG1 3.47Å; F66-F172 HydrophobicContact CD2-CE2 4.5Å; F66-F172 HydrophobicContact CD2-CZ 4.31Å; F66-F172 AromaticContact CE2-CD1 3.97Å; F66-F172 HydrophobicContact CE2-CD1 3.97Å; F66-F172 AromaticContact CE2-CD2 3.81Å; F66-F172 HydrophobicContact CE2-CD2 3.81Å; F66-F172 AromaticContact CE2-CE1 3.88Å; F66-F172 HydrophobicContact CE2-CE1 3.88Å; F66-F172 AromaticContact CE2-CE2 3.76Å; F66-F172 HydrophobicContact CE2-CE2 3.76Å; F66-F172 AromaticContact CE2-CG 3.92Å; F66-F172 HydrophobicContact CE2-CG 3.92Å; F66-F172 AromaticContact CE2-CZ 3.79Å; F66-F172 HydrophobicContact CE2-CZ 3.79Å; F66-F172 HydrophobicContact CZ-CD1 4.29Å; F66-F172 HydrophobicContact CZ-CD2 4.4Å; F66-F172 HydrophobicContact CZ-CG 4.17Å; F66-I181 HydrophobicContact CD1-CD1 4.4Å; F66-I181 HydrophobicContact CE1-CD1 3.72Å; F66-I181 HydrophobicContact CE1-CG1 4.13Å; F66-I181 HydrophobicContact CE2-CD1 4.08Å; F66-I181 HydrophobicContact CZ-CD1 3.52Å; F66-I181 HydrophobicContact CZ-CG1 4.04Å
67H66.6Low68Low127 Ų12791.2 Ų91.259%0.58848%0.476SS*.Hα-helixtrans-63.8-41176.3-174.668.8000111.2T65 T70 S71T65-H67 VanDerWaalsContact C-N 3.33Å; T65-H67 PolarHBondContact O-N 2.63Å; H67-T70 PolarHBondContact O-N 3.02Å; H67-S71 VanDerWaalsContact O-CB 3.28Å; H67-S71 WeakPolarHBondContact O-CB 3.31Å; H67-S71 PolarHBondContact O-N 3.36Å
68E65.3Low68.4Low119 Ų11999 Ų9956%0.55651%0.505SS*.Hα-helixtrans-61.4-46.4177.2-171.4179.5-171.500112.3G64 T65 F66 T70 N74G64-E68 PolarHBondContact O-N 2.92Å; T65-E68 PolarHBondContact O-N 2.93Å; F66-E68 VanDerWaalsContact C-N 3.33Å; E68-T70 VanDerWaalsContact C-N 3.35Å; E68-T70 PolarHBondContact O-N 3.26Å; E68-N74 PolarHBondContact O-ND2 3.19Å
69W63.4Low69.2Low182 Ų182100.8 Ų100.869%0.68951%0.513SS*.Hα-helixtrans-71.5-28.2-179.4-65.1-8.6000113.9T65 F66 M75T65-W69 HydrophobicContact CG2-CD2 4.25Å; T65-W69 HydrophobicContact CG2-CH2 4.19Å; T65-W69 HydrophobicContact CG2-CZ2 3.66Å; T65-W69 PolarHBondContact O-N 3.42Å; F66-W69 PolarHBondContact O-N 2.98Å; W69-M75 VanDerWaalsContact O-CE 3.28Å; W69-M75 WeakPolarHBondContact O-CE 3.28Å
70T67.8Low70.1Confident29 Ų2996.2 Ų96.218%0.17850%0.498CS..Hα-helixtrans-109.33-171.3680000114.4F66 H67 E68 R174F66-T70 HydrophobicContact CD1-CG2 4.2Å; F66-T70 HydrophobicContact CD2-CG2 4.14Å; F66-T70 HydrophobicContact CE1-CG2 3.86Å; F66-T70 WeakPolarHBondContact CE1-OG1 3.24Å; F66-T70 HydrophobicContact CE2-CG2 3.79Å; F66-T70 HydrophobicContact CG-CG2 4.35Å; F66-T70 HydrophobicContact CZ-CG2 3.65Å; F66-T70 WeakPolarHBondContact O-CB 3.46Å; F66-T70 WeakPolarHBondContact O-CG2 3.48Å; F66-T70 PolarHBondContact O-N 2.87Å; F66-T70 PolarHBondContact O-OG1 3.47Å; H67-T70 PolarHBondContact O-N 3.02Å; E68-T70 VanDerWaalsContact C-N 3.35Å; E68-T70 PolarHBondContact O-N 3.26Å; T70-R174 PolarHBondContact O-NH1 3.42Å
71S72.6Confident71.4Confident23 Ų2395 Ų9516%0.16149%0.492CS..  trans-68.9129.3174-178.20000110.4H67 S73 N74H67-S71 VanDerWaalsContact O-CB 3.28Å; H67-S71 WeakPolarHBondContact O-CB 3.31Å; H67-S71 PolarHBondContact O-N 3.36Å; S71-S73 PolarHBondContact O-N 2.99Å; S71-S73 PolarHBondContact OG-N 3.5Å; S71-S73 PolarHBondContact OG-OG 3.11Å; S71-N74 PolarHBondContact O-N 3.15Å
72S69.1Low72.9Confident104 Ų10498.7 Ų98.773%0.72752%0.515SS*.G310 helixtrans-60.3-25.3175.257.10000112.7N74 M75S72-N74 PolarHBondContact O-N 2.91Å; S72-M75 PolarHBondContact O-N 3.37Å
73S76.2Confident74.6Confident93 Ų9396.5 Ų96.565%0.6550%0.501SS*.G310 helixtrans-63.6-23.8174.665.50000113.2S71S71-S73 PolarHBondContact O-N 2.99Å; S71-S73 PolarHBondContact OG-N 3.5Å; S71-S73 PolarHBondContact OG-OG 3.11Å
74N77.2Confident76.3Confident103 Ų10399.7 Ų99.755%0.55152%0.516SS*.G310 helixtrans-102.95.7-178.6-60.8-17.2000111.7E68 S71 S72E68-N74 PolarHBondContact O-ND2 3.19Å; S71-N74 PolarHBondContact O-N 3.15Å; S72-N74 PolarHBondContact O-N 2.91Å
75M81.3Confident77.9Confident108 Ų10898.7 Ų98.753%0.53250%0.499SS..  trans-112.8149.1179.9-67.3-178.7173.100110.5W69 S72W69-M75 VanDerWaalsContact O-CE 3.28Å; W69-M75 WeakPolarHBondContact O-CE 3.28Å; S72-M75 PolarHBondContact O-N 3.37Å
76M82.1Confident79.5Confident174 Ų174101.8 Ų101.886%0.85750%0.502SS*.  trans-127.3129177.6-146.4-170.1-57.200109R78M76-R78 PolarHBondContact O-N 3.01Å
77E84.4Confident80.8Confident198 Ų198101.6 Ų101.693%0.92550%0.501SS*.  trans-69.6129.9176.3-171.3174-172.900110
78R82.8Confident82.1Confident172 Ų172101.7 Ų101.765%0.64950%0.5SS*.  trans-155.9153.6177.265.2-178.2-62.1159.15.7110.6M76 V80M76-R78 PolarHBondContact O-N 3.01Å; R78-V80 HydrophobicContact CG-CG2 3.75Å
79E86.4Confident83.4Confident122 Ų12296.4 Ų96.457%0.5748%0.475SS*.  trans-72129.2171.8-161.9-175.7-164.200110.1R160E79-R160 IonicContact OE1-CZ 2.72Å; E79-R160 IonicContact OE1-NE 2.92Å; E79-R160 PolarHBondContact OE1-NE 2.85Å; E79-R160 VanDerWaalsContact OE1-NE 3.12Å; E79-R160 IonicContact OE1-NH2 3.48Å; E79-R160 PolarHBondContact OE1-NH2 3.29Å; E79-R160 IonicContact OE2-CZ 3.91Å; E79-R160 IonicContact OE2-NE 2.89Å; E79-R160 PolarHBondContact OE2-NE 2.98Å; E79-R160 VanDerWaalsContact OE2-NE 3.1Å; E79-R160 IonicContact OE2-NH2 3.23Å
80V86.9Confident84.9Confident54 Ų5493.6 Ų93.633%0.32747%0.47SS..EExtended strand (participates in β ladder)trans-137.1136.1-177.6-174.50000109.4R78 V82 A161 F163R78-V80 HydrophobicContact CG-CG2 3.75Å; V80-V82 HydrophobicContact CB-CG2 4.45Å; V80-V82 HydrophobicContact CG1-CG2 4.23Å; V80-A161 CarbonylContact C-O 3.53Å; V80-A161 VanDerWaalsContact CA-O 3.3Å; V80-A161 WeakPolarHBondContact CA-O 3.46Å; V80-A161 HydrophobicContact CG1-CB 4.46Å; V80-A161 VanDerWaalsContact CG1-O 3.31Å; V80-A161 WeakPolarHBondContact CG1-O 3.49Å; V80-A161 HydrophobicContact CG2-CB 4.32Å; V80-F163 HydrophobicContact CG1-CB 3.74Å
81E89.4Confident86.1Confident79 Ų7993 Ų9337%0.36947%0.467SS..EExtended strand (participates in β ladder)trans-82.3112.5167.8-172.7-168156.500109.1H83 A161 Q162 F163E81-H83 IonicContact OE1-CD2 3.1Å; E81-H83 IonicContact OE1-CE1 2.68Å; E81-H83 PolarHBondContact OE1-CE1 2.83Å; E81-H83 IonicContact OE1-NE2 3.69Å; E81-H83 PolarHBondContact OE1-NE2 3.36Å; E81-A161 PolarHBondContact N-O 3.35Å; E81-Q162 HydrophobicContact CB-CG 4.23Å; E81-Q162 CarbonylContact O-C 3.6Å; E81-Q162 WeakPolarHBondContact O-CA 3.36Å; E81-Q162 PolarHBondContact OE2-NE2 3.04Å; E81-F163 PolarHBondContact O-N 2.76Å
82V89.7Confident87.2Confident94 Ų9499 Ų9957%0.5749%0.49SS*.EExtended strand (participates in β ladder)trans-102.4126.8-173.3176.60000110.4V80 L84 F163V80-V82 HydrophobicContact CB-CG2 4.45Å; V80-V82 HydrophobicContact CG1-CG2 4.23Å; V82-L84 HydrophobicContact CG1-CB 4.38Å; V82-F163 WeakPolarHBondContact CA-O 3.47Å; V82-F163 HydrophobicContact CG1-CD1 4.18Å; V82-F163 HydrophobicContact CG2-CB 4.49Å
83H90.7Very high88.3Confident81 Ų8195.8 Ų95.838%0.37546%0.462SS..EExtended strand (participates in β ladder)trans-115.2107.2170.3-61.5-112.8000108.1E81 F163 K164 A165E81-H83 IonicContact OE1-CD2 3.1Å; E81-H83 IonicContact OE1-CE1 2.68Å; E81-H83 PolarHBondContact OE1-CE1 2.83Å; E81-H83 IonicContact OE1-NE2 3.69Å; E81-H83 PolarHBondContact OE1-NE2 3.36Å; H83-F163 PolarHBondContact N-O 3.35Å; H83-K164 HydrophobicContact CB-CB 4.35Å; H83-K164 HydrophobicContact CB-CG 4Å; H83-A165 PolarHBondContact O-N 3.34Å
84L90.9Very high89.2Confident87 Ų8796.5 Ų96.546%0.45546%0.455SS..  trans-123.1130.6178.8-17274000108.6V82 V137 A165 F169V82-L84 HydrophobicContact CG1-CB 4.38Å; L84-V137 HydrophobicContact CD2-CG1 4.17Å; L84-A165 HydrophobicContact CD1-CB 3.83Å; L84-F169 HydrophobicContact CD1-CE2 4.4Å; L84-F169 HydrophobicContact CD1-CZ 4.02Å
85P90.9Very high89.9Confident34 Ų3492.2 Ų92.222%0.22143%0.432CS..  trans-67151.417727.6-33000110.7F87 A165 F169 L187 P190P85-F87 HydrophobicContact CG-CD1 4.23Å; P85-F87 VanDerWaalsContact O-CD1 3.24Å; P85-F87 WeakPolarHBondContact O-CD1 3.46Å; P85-A165 WeakPolarHBondContact CD-O 3.26Å; P85-F169 HydrophobicContact CG-CE1 4.04Å; P85-F169 HydrophobicContact CG-CZ 4.34Å; P85-L187 HydrophobicContact CG-CD2 4.21Å; P85-P190 HydrophobicContact CB-CB 4.38Å; P85-P190 HydrophobicContact CB-CG 4.44Å; P85-P190 HydrophobicContact CG-CG 4.39Å
86R91.7Very high90.4Very high140 Ų14087.8 Ų87.853%0.52841%0.41SS..  trans-75.2134.1159.6-63.7-179.5179.9-146.78.9107.9V137 E139R86-V137 WeakPolarHBondContact CA-O 3.41Å; R86-E139 IonicContact CZ-OE1 3.86Å; R86-E139 IonicContact CZ-OE2 3.8Å; R86-E139 IonicContact NE-OE1 3.64Å; R86-E139 PolarHBondContact NE-OE1 2.75Å; R86-E139 IonicContact NE-OE2 3.66Å; R86-E139 IonicContact NH2-OE1 2.68Å; R86-E139 PolarHBondContact NH2-OE1 3.37Å; R86-E139 IonicContact NH2-OE2 2.75Å; R86-E139 PolarHBondContact NH2-OE2 2.98Å
87F92.4Very high90.9Very high11 Ų1184 Ų845%0.04840%0.401CS..EExtended strand (participates in β ladder)trans-154.8156.4179.362.4-88.6000111.1P85 L89 L135 V137 F169 F171 L187P85-F87 HydrophobicContact CG-CD1 4.23Å; P85-F87 VanDerWaalsContact O-CD1 3.24Å; P85-F87 WeakPolarHBondContact O-CD1 3.46Å; F87-L89 HydrophobicContact CD2-CD1 4.06Å; F87-L89 HydrophobicContact CD2-CG 3.97Å; F87-L89 HydrophobicContact CE2-CD1 3.86Å; F87-L89 HydrophobicContact CE2-CG 4.26Å; F87-L135 HydrophobicContact CE2-CD2 3.87Å; F87-L135 HydrophobicContact CZ-CD2 4.39Å; F87-V137 HydrophobicContact CD1-CB 4.09Å; F87-V137 HydrophobicContact CD1-CG2 4.37Å; F87-V137 HydrophobicContact CD2-CG2 4.36Å; F87-V137 HydrophobicContact CE1-CB 3.86Å; F87-V137 HydrophobicContact CE1-CG1 4.08Å; F87-V137 HydrophobicContact CE1-CG2 3.78Å; F87-V137 HydrophobicContact CE2-CB 4.46Å; F87-V137 HydrophobicContact CE2-CG2 3.79Å; F87-V137 HydrophobicContact CG-CB 4.47Å; F87-V137 HydrophobicContact CZ-CB 4.07Å; F87-V137 HydrophobicContact CZ-CG2 3.47Å; F87-V137 VanDerWaalsContact CZ-CG2 3.47Å; F87-V137 PolarHBondContact N-O 3.39Å; F87-V137 PolarHBondContact O-N 2.89Å; F87-F169 AromaticContact CE1-CZ 3.99Å; F87-F169 HydrophobicContact CE1-CZ 3.99Å; F87-F169 HydrophobicContact CZ-CZ 4.36Å; F87-F171 HydrophobicContact CE2-CE1 4.28Å; F87-F171 HydrophobicContact CE2-CZ 4.22Å; F87-F171 HydrophobicContact CZ-CE1 4.41Å; F87-L187 HydrophobicContact CB-CD1 4.35Å; F87-L187 HydrophobicContact CB-CD2 4.12Å; F87-L187 HydrophobicContact CD1-CD2 3.67Å; F87-L187 HydrophobicContact CD2-CD1 3.91Å; F87-L187 HydrophobicContact CD2-CD2 4.08Å; F87-L187 HydrophobicContact CE1-CD2 4.04Å; F87-L187 HydrophobicContact CE2-CD1 4.42Å; F87-L187 HydrophobicContact CE2-CD2 4.4Å; F87-L187 HydrophobicContact CG-CD1 4.16Å; F87-L187 HydrophobicContact CG-CD2 3.7Å; F87-L187 HydrophobicContact CZ-CD2 4.38Å
88K93.1Very high91.2Very high129 Ų12975.1 Ų75.156%0.56136%0.36SS*.EExtended strand (participates in β ladder)trans-126134.2174.6-53.9-165.1-172.6-150.80109.4L135 D136K88-L135 CarbonylContact C-O 3.6Å; K88-L135 VanDerWaalsContact CA-O 3.26Å; K88-L135 WeakPolarHBondContact CA-O 3.21Å; K88-D136 HydrophobicContact CD-CB 4.49Å; K88-D136 VanDerWaalsContact CE-CG 3.46Å; K88-D136 WeakPolarHBondContact CE-OD1 3.34Å; K88-D136 WeakPolarHBondContact CE-OD2 2.99Å; K88-D136 HydrophobicContact CG-CB 4.4Å; K88-D136 WeakPolarHBondContact CG-OD1 3.39Å; K88-D136 IonicContact NZ-OD1 3.91Å; K88-D136 IonicContact NZ-OD2 2.76Å; K88-D136 PolarHBondContact NZ-OD2 3.31Å
89L92.6Very high91.5Very high7 Ų767.2 Ų67.24%0.03733%0.33CS..EExtended strand (participates in β ladder)trans-123.6122176-65.9172.7000109N27 F29 F87 Y134 L135 F171 L187N27-L89 HydrophobicContact CB-CD2 3.76Å; F29-L89 HydrophobicContact CB-CB 4.22Å; F29-L89 HydrophobicContact CB-CD1 4.03Å; F29-L89 HydrophobicContact CD1-CB 4.2Å; F29-L89 HydrophobicContact CD2-CD1 4.49Å; F29-L89 HydrophobicContact CG-CB 4.29Å; F29-L89 HydrophobicContact CG-CD1 4.25Å; F87-L89 HydrophobicContact CD2-CD1 4.06Å; F87-L89 HydrophobicContact CD2-CG 3.97Å; F87-L89 HydrophobicContact CE2-CD1 3.86Å; F87-L89 HydrophobicContact CE2-CG 4.26Å; L89-Y134 CarbonylContact O-C 3.52Å; L89-Y134 VanDerWaalsContact O-CA 3.26Å; L89-Y134 WeakPolarHBondContact O-CA 2.79Å; L89-L135 HydrophobicContact CB-CB 4.47Å; L89-L135 PolarHBondContact N-O 3.02Å; L89-L135 PolarHBondContact O-N 3.46Å; L89-F171 HydrophobicContact CD1-CE1 3.98Å; L89-F171 HydrophobicContact CD1-CZ 3.71Å; L89-L187 HydrophobicContact CD1-CD1 4.23Å; L89-L187 HydrophobicContact CD2-CD1 3.88Å; L89-L187 HydrophobicContact CG-CD1 4.33Å
90E94.7Very high91.7Very high124 Ų12466 Ų6658%0.57932%0.323SS*.EExtended strand (participates in β ladder)trans-121.7114.5167.7-171175.8163.700108.2K132 S133 Y134E90-K132 WeakPolarHBondContact OE1-CE 3.4Å; E90-K132 IonicContact OE1-NZ 3.48Å; E90-K132 PolarHBondContact OE1-NZ 2.86Å; E90-S133 WeakPolarHBondContact CA-O 3.47Å; E90-Y134 HydrophobicContact CB-CD2 4.08Å; E90-Y134 HydrophobicContact CG-CD2 4.31Å
91T92.8Very high91.8Very high17 Ų1766.5 Ų66.510%0.10433%0.329CS..EExtended strand (participates in β ladder)trans-121.9145.2-177.153.50000110.4F29 K132 S133F29-T91 HydrophobicContact CB-CG2 3.83Å; F29-T91 WeakPolarHBondContact O-CB 3.29Å; F29-T91 PolarHBondContact O-OG1 2.98Å; T91-K132 VanDerWaalsContact O-CA 3.32Å; T91-K132 WeakPolarHBondContact O-CA 3.24Å; T91-K132 WeakPolarHBondContact O-CG 3.33Å; T91-S133 PolarHBondContact N-O 2.92Å; T91-S133 PolarHBondContact O-N 3.49Å; T91-S133 PolarHBondContact OG1-OG 2.95Å
92K94.9Very high91.5Very high149 Ų14964.2 Ų64.265%0.64832%0.319SS*.EExtended strand (participates in β ladder)trans-138.2118174.8-177.2-176.8177.5-177.20108.8I130 H131 K132K92-I130 HydrophobicContact CG-CG2 4.11Å; K92-H131 CarbonylContact C-O 3.54Å; K92-H131 WeakPolarHBondContact CA-O 3.09Å; K92-K132 HydrophobicContact CB-CG 4.49Å
93Y93.5Very high91.5Very high36 Ų3661.1 Ų61.114%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-112.6138.7176.8-58.2-64.1000110.8L19 F29 F30 I130 H131L19-Y93 HydrophobicContact CD1-CD2 4.44Å; L19-Y93 HydrophobicContact CD1-CE1 4.49Å; L19-Y93 HydrophobicContact CD1-CE2 4.06Å; L19-Y93 HydrophobicContact CD2-CD1 3.94Å; L19-Y93 HydrophobicContact CD2-CE1 4Å; L19-Y93 HydrophobicContact CD2-CG 4.34Å; F29-Y93 PolarHBondContact N-OH 3.2Å; F29-Y93 VanDerWaalsContact O-CE2 3.29Å; F29-Y93 WeakPolarHBondContact O-CE2 3.48Å; F30-Y93 HydrophobicContact CB-CD2 4.43Å; F30-Y93 HydrophobicContact CB-CE2 4.1Å; Y93-I130 WeakPolarHBondContact O-CA 3.49Å; Y93-H131 PolarHBondContact N-O 2.87Å; Y93-H131 PolarHBondContact O-N 3.15Å
94E94.1Very high91.5Very high107 Ų10757.3 Ų57.350%0.529%0.289SS..EExtended strand (participates in β ladder)trans-96110.3160.4-178.4170.7166.800107.8N96 K128 A129E94-N96 VanDerWaalsContact C-N 3.28Å; E94-N96 HydrophobicContact CG-CB 4.4Å; E94-N96 PolarHBondContact O-N 3.09Å; E94-K128 VanDerWaalsContact CD-NZ 3.32Å; E94-K128 HydrophobicContact CG-CG 4.24Å; E94-K128 IonicContact OE1-NZ 3.62Å; E94-K128 WeakPolarHBondContact OE2-CE 3.37Å; E94-K128 IonicContact OE2-NZ 2.64Å; E94-K128 PolarHBondContact OE2-NZ 3.47Å; E94-A129 CarbonylContact C-O 3.55Å; E94-A129 WeakPolarHBondContact CA-O 3.33Å
95L92.5Very high91.6Very high14 Ų1456.2 Ų56.27%0.07329%0.286CS..THydrogen-bonded Turntrans-82.4-6.3-166.8-56172.4000113.2L35 S97 L98 L99 A129 H131L35-L95 HydrophobicContact CD2-CD1 3.31Å; L35-L95 HydrophobicContact CD2-CD2 4.32Å; L35-L95 HydrophobicContact CD2-CG 4.42Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 2.92Å; L95-L98 PolarHBondContact O-N 3.18Å; L95-L98 VanDerWaalsContact O-N 3.14Å; L95-L99 HydrophobicContact CB-CD1 3.93Å; L95-L99 HydrophobicContact CB-CG 4.17Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.49Å; L95-A129 HydrophobicContact CB-CB 4.01Å; L95-A129 HydrophobicContact CD1-CB 4.28Å; L95-A129 PolarHBondContact N-O 3.42Å; L95-H131 HydrophobicContact CD1-CB 4.01Å; L95-H131 HydrophobicContact CD2-CB 4.18Å; L95-H131 HydrophobicContact CG-CB 4.21Å
96N92.8Very high91.8Very high14 Ų1455.2 Ų55.28%0.07528%0.279CS..Hα-helixtrans-53.4-47.6-174.9-69.652000112.2E94 K100 F108 S127 K128 A129E94-N96 VanDerWaalsContact C-N 3.28Å; E94-N96 HydrophobicContact CG-CB 4.4Å; E94-N96 PolarHBondContact O-N 3.09Å; N96-K100 WeakPolarHBondContact O-CB 3.35Å; N96-K100 WeakPolarHBondContact O-CD 3.29Å; N96-K100 WeakPolarHBondContact O-CG 3.43Å; N96-K100 PolarHBondContact O-N 2.95Å; N96-K100 VanDerWaalsContact O-N 3.09Å; N96-F108 HydrophobicContact CB-CD1 4.3Å; N96-F108 HydrophobicContact CB-CE1 4.13Å; N96-F108 WeakPolarHBondContact ND2-CD1 3.32Å; N96-S127 PolarHBondContact ND2-O 2.93Å; N96-K128 WeakPolarHBondContact OD1-CA 3Å; N96-A129 PolarHBondContact OD1-N 3.44Å
97S91.7Very high91.9Very high94 Ų9448.6 Ų48.666%0.65725%0.254SS*.Hα-helixtrans-68.7-39.7179.9-58.30000112.1L95 K100 S101L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 2.92Å; S97-K100 PolarHBondContact O-N 3.31Å; S97-S101 PolarHBondContact O-N 3.4Å; S97-S101 PolarHBondContact O-OG 2.87Å
98L90.5Very high92.1Very high12 Ų1249 Ų496%0.06326%0.255CS..Hα-helixtrans-64.8-46.9178179.9147.8000111.6V15 E18 L19 L95 K100 S101 L102V15-L98 HydrophobicContact CG1-CD1 4.16Å; V15-L98 HydrophobicContact CG2-CD2 4.47Å; E18-L98 HydrophobicContact CB-CD1 4.23Å; E18-L98 HydrophobicContact CB-CG 4.38Å; E18-L98 HydrophobicContact CG-CD1 4.04Å; E18-L98 HydrophobicContact CG-CG 3.83Å; L19-L98 HydrophobicContact CD2-CD1 3.54Å; L19-L98 HydrophobicContact CG-CD1 3.65Å; L95-L98 PolarHBondContact O-N 3.18Å; L95-L98 VanDerWaalsContact O-N 3.14Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.3Å; L98-S101 PolarHBondContact O-N 3.49Å; L98-S101 PolarHBondContact O-OG 3.34Å; L98-L102 HydrophobicContact CD2-CD1 3.68Å; L98-L102 HydrophobicContact CD2-CG 4.47Å; L98-L102 HydrophobicContact CG-CD1 4.5Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 3.36Å
99L89.3Confident92.1Very high7 Ų745.8 Ų45.84%0.03725%0.245CC..Hα-helixtrans-67.9-33.5179.6-68.1172.9000111.3L39 I57 L95 L102 G103 V104 F108 A129L39-L99 HydrophobicContact CD1-CD2 4.16Å; L39-L99 HydrophobicContact CD2-CD1 4.17Å; L39-L99 HydrophobicContact CD2-CD2 3.91Å; I57-L99 HydrophobicContact CD1-CD2 4.48Å; L95-L99 HydrophobicContact CB-CD1 3.93Å; L95-L99 HydrophobicContact CB-CG 4.17Å; L95-L99 WeakPolarHBondContact O-CB 3.49Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.49Å; L99-L102 CarbonylContact O-C 3.49Å; L99-L102 PolarHBondContact O-N 3.21Å; L99-G103 PolarHBondContact O-N 3.29Å; L99-V104 HydrophobicContact CB-CB 4.49Å; L99-V104 WeakPolarHBondContact O-CB 3.22Å; L99-V104 PolarHBondContact O-N 3.47Å; L99-F108 HydrophobicContact CB-CE2 3.71Å; L99-F108 HydrophobicContact CB-CZ 3.89Å; L99-F108 HydrophobicContact CD1-CE2 4.38Å; L99-F108 HydrophobicContact CD1-CZ 3.76Å; L99-F108 HydrophobicContact CG-CZ 4.46Å; L99-A129 HydrophobicContact CD1-CB 4.49Å
100K91.4Very high92.2Very high95 Ų9551 Ų5141%0.41327%0.269SS..Hα-helixtrans-65.7-41.8171.6-75.2172.3-177.8-177.80112.8N96 S97 L98 L102 G103 V104 T105 F108N96-K100 WeakPolarHBondContact O-CB 3.35Å; N96-K100 WeakPolarHBondContact O-CD 3.29Å; N96-K100 WeakPolarHBondContact O-CG 3.43Å; N96-K100 PolarHBondContact O-N 2.95Å; N96-K100 VanDerWaalsContact O-N 3.09Å; S97-K100 PolarHBondContact O-N 3.31Å; L98-K100 VanDerWaalsContact C-N 3.29Å; L98-K100 PolarHBondContact O-N 3.3Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 3.23Å; K100-G103 WeakPolarHBondContact O-CA 3.38Å; K100-G103 PolarHBondContact O-N 2.88Å; K100-V104 WeakPolarHBondContact CA-O 3.29Å; K100-V104 WeakPolarHBondContact CG-O 3.2Å; K100-T105 HydrophobicContact CB-CG2 4.38Å; K100-T105 HydrophobicContact CG-CG2 4.36Å; K100-F108 HydrophobicContact CD-CD2 4.49Å; K100-F108 VanDerWaalsContact CE-CB 3.5Å; K100-F108 HydrophobicContact CG-CD2 3.9Å; K100-F108 HydrophobicContact CG-CE2 4.36Å
101S88.6Confident92.1Very high65 Ų6551.5 Ų51.546%0.45528%0.28SS..Hα-helixtrans-68.1-29.617762.50000112.2E18 S97 L98 G103E18-S101 VanDerWaalsContact OE1-CB 3.29Å; E18-S101 WeakPolarHBondContact OE1-CB 2.91Å; E18-S101 PolarHBondContact OE1-OG 2.66Å; S97-S101 PolarHBondContact O-N 3.4Å; S97-S101 PolarHBondContact O-OG 2.87Å; L98-S101 PolarHBondContact O-N 3.49Å; L98-S101 PolarHBondContact O-OG 3.34Å; S101-G103 PolarHBondContact O-N 2.88Å
102L83.6Confident92.2Very high31 Ų3156.5 Ų56.516%0.16230%0.3CS..THydrogen-bonded Turntrans-75.6-1.6169-63.4177.4000114I57 L98 L99 K100I57-L102 HydrophobicContact CD1-CB 3.6Å; I57-L102 HydrophobicContact CD1-CD1 4.42Å; I57-L102 HydrophobicContact CG1-CB 4.16Å; L98-L102 HydrophobicContact CD2-CD1 3.68Å; L98-L102 HydrophobicContact CD2-CG 4.47Å; L98-L102 HydrophobicContact CG-CD1 4.5Å; L98-L102 VanDerWaalsContact O-CG 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.3Å; L98-L102 PolarHBondContact O-N 3.36Å; L99-L102 CarbonylContact O-C 3.49Å; L99-L102 PolarHBondContact O-N 3.21Å; K100-L102 VanDerWaalsContact C-N 3.27Å; K100-L102 PolarHBondContact O-N 3.23Å
103G88.1Confident92.3Very high30 Ų3050 Ų5031%0.30928%0.275SS..THydrogen-bonded Turntrans103-2.2172.200000116L99 K100 S101 T105L99-G103 PolarHBondContact O-N 3.29Å; K100-G103 WeakPolarHBondContact O-CA 3.38Å; K100-G103 PolarHBondContact O-N 2.88Å; S101-G103 PolarHBondContact O-N 2.88Å; G103-T105 PolarHBondContact O-N 3Å
104V90.8Very high92.3Very high0 Ų051.2 Ų51.20%028%0.284CS..  trans-87.293.9175.5172.90000109.5Q53 L54 I57 L99 K100 L107 F108Q53-V104 HydrophobicContact CB-CG2 4.22Å; L54-V104 HydrophobicContact CD2-CG1 4.03Å; L54-V104 HydrophobicContact CD2-CG2 3.77Å; L54-V104 HydrophobicContact CG-CG1 4.41Å; L54-V104 HydrophobicContact CG-CG2 4.12Å; I57-V104 HydrophobicContact CD1-CB 4.08Å; I57-V104 HydrophobicContact CD1-CG2 3.25Å; I57-V104 HydrophobicContact CG1-CG2 3.85Å; L99-V104 HydrophobicContact CB-CB 4.49Å; L99-V104 WeakPolarHBondContact O-CB 3.22Å; L99-V104 PolarHBondContact O-N 3.47Å; K100-V104 WeakPolarHBondContact CA-O 3.29Å; K100-V104 WeakPolarHBondContact CG-O 3.2Å; V104-L107 HydrophobicContact CG1-CB 3.53Å; V104-L107 HydrophobicContact CG1-CD2 3.68Å; V104-L107 HydrophobicContact CG1-CG 4.25Å; V104-F108 HydrophobicContact CG1-CE2 4.11Å; V104-F108 WeakPolarHBondContact O-CD2 3.46Å; V104-F108 WeakPolarHBondContact O-CE2 3.36Å
105T94Very high92.4Very high64 Ų6446.7 Ų46.739%0.39326%0.263SS..  trans-109.4-38.9-174.960.50000112.6K100 G103 L107 F108K100-T105 HydrophobicContact CB-CG2 4.38Å; K100-T105 HydrophobicContact CG-CG2 4.36Å; G103-T105 PolarHBondContact O-N 3Å; T105-L107 VanDerWaalsContact C-N 3.35Å; T105-L107 PolarHBondContact O-N 3.46Å; T105-F108 PolarHBondContact O-N 3.31Å
106D95.3Very high92.4Very high13 Ų1349.2 Ų49.27%0.0728%0.281CS..G310 helixtrans-70.2-33.6-174-76.92.8000112E49 F108 N109 K112 A113E49-D106 WeakPolarHBondContact CG-OD2 3.46Å; D106-F108 PolarHBondContact O-N 3.34Å; D106-N109 WeakPolarHBondContact O-CB 3.49Å; D106-N109 PolarHBondContact O-N 2.9Å; D106-K112 HydrophobicContact CB-CB 4.02Å; D106-K112 WeakPolarHBondContact OD1-CD 3.48Å; D106-K112 IonicContact OD1-NZ 2.66Å; D106-A113 VanDerWaalsContact O-CA 3.3Å; D106-A113 WeakPolarHBondContact O-CA 3.34Å; D106-A113 VanDerWaalsContact O-CB 3.27Å; D106-A113 WeakPolarHBondContact O-CB 3.31Å; D106-A113 PolarHBondContact O-N 2.99Å
107L94.4Very high92.4Very high1 Ų150.3 Ų50.31%0.00530%0.296CS..G310 helixtrans-52.6-30.8175.5-177.960.6000113.4V42 T50 L54 V104 T105 L115 L126V42-L107 HydrophobicContact CG1-CD1 3.53Å; V42-L107 HydrophobicContact CG1-CD2 3.9Å; V42-L107 HydrophobicContact CG1-CG 4.38Å; T50-L107 HydrophobicContact CG2-CB 4.14Å; T50-L107 HydrophobicContact CG2-CD1 4.2Å; L54-L107 HydrophobicContact CD2-CD2 4.31Å; V104-L107 HydrophobicContact CG1-CB 3.53Å; V104-L107 HydrophobicContact CG1-CD2 3.68Å; V104-L107 HydrophobicContact CG1-CG 4.25Å; T105-L107 VanDerWaalsContact C-N 3.35Å; T105-L107 PolarHBondContact O-N 3.46Å; L107-L115 HydrophobicContact CD1-CD1 4.07Å; L107-L115 HydrophobicContact CD1-CD2 3.86Å; L107-L115 HydrophobicContact CD1-CG 4.3Å; L107-L126 HydrophobicContact CD1-CB 3.92Å; L107-L126 HydrophobicContact CD2-CB 4.39Å; L107-L126 HydrophobicContact CD2-CD2 3.66Å; L107-L126 HydrophobicContact CG-CB 3.74Å; L107-L126 HydrophobicContact CG-CD2 3.96Å; L107-L126 WeakPolarHBondContact O-CB 3.38Å; L107-L126 PolarHBondContact O-N 3.48Å
108F95.2Very high92.5Very high19 Ų1951.2 Ų51.28%0.08329%0.291CS..G310 helixtrans-98.18.3-179.1-58.2-77.6000113.6N96 L99 K100 V104 T105 D106 L126 A129N96-F108 HydrophobicContact CB-CD1 4.3Å; N96-F108 HydrophobicContact CB-CE1 4.13Å; N96-F108 WeakPolarHBondContact ND2-CD1 3.32Å; L99-F108 HydrophobicContact CB-CE2 3.71Å; L99-F108 HydrophobicContact CB-CZ 3.89Å; L99-F108 HydrophobicContact CD1-CE2 4.38Å; L99-F108 HydrophobicContact CD1-CZ 3.76Å; L99-F108 HydrophobicContact CG-CZ 4.46Å; K100-F108 HydrophobicContact CD-CD2 4.49Å; K100-F108 VanDerWaalsContact CE-CB 3.5Å; K100-F108 HydrophobicContact CG-CD2 3.9Å; K100-F108 HydrophobicContact CG-CE2 4.36Å; V104-F108 HydrophobicContact CG1-CE2 4.11Å; V104-F108 WeakPolarHBondContact O-CD2 3.46Å; V104-F108 WeakPolarHBondContact O-CE2 3.36Å; T105-F108 PolarHBondContact O-N 3.31Å; D106-F108 PolarHBondContact O-N 3.34Å; F108-L126 WeakPolarHBondContact CA-O 3.46Å; F108-L126 HydrophobicContact CD1-CB 4.3Å; F108-L126 HydrophobicContact CD1-CD2 4.44Å; F108-L126 HydrophobicContact CD1-CG 4.34Å; F108-L126 VanDerWaalsContact CD1-O 3.23Å; F108-L126 WeakPolarHBondContact CD1-O 3.39Å; F108-L126 HydrophobicContact CE1-CB 4.3Å; F108-L126 HydrophobicContact CE1-CD2 3.65Å; F108-L126 HydrophobicContact CE1-CG 3.92Å; F108-L126 HydrophobicContact CZ-CD2 4.01Å; F108-A129 HydrophobicContact CE1-CB 4.49Å
109N94.1Very high92.6Very high62 Ų6252.2 Ų52.233%0.33230%0.3SS..  trans-113.6116.4-178.1-175.4-46.9000110.1D106 V111 K112 A113D106-N109 WeakPolarHBondContact O-CB 3.49Å; D106-N109 PolarHBondContact O-N 2.9Å; N109-V111 PolarHBondContact O-N 3.14Å; N109-V111 WeakPolarHBondContact OD1-CB 3.39Å; N109-V111 PolarHBondContact OD1-N 3.48Å; N109-K112 HydrophobicContact CB-CB 4.07Å; N109-K112 HydrophobicContact CB-CG 4.46Å; N109-K112 PolarHBondContact O-N 3.2Å; N109-K112 PolarHBondContact OD1-N 2.91Å; N109-K112 VanDerWaalsContact OD1-N 3.17Å; N109-A113 WeakPolarHBondContact O-CB 3.42Å; N109-A113 PolarHBondContact O-N 2.98Å
110Q93.7Very high92.6Very high118 Ų11858 Ų5855%0.55134%0.337SS*.THydrogen-bonded Turntrans-57.3-26.9-177.4-172.9172.318.200114.7Y125Q110-Y125 HydrophobicContact CB-CD1 3.65Å; Q110-Y125 HydrophobicContact CB-CD2 4.35Å; Q110-Y125 HydrophobicContact CB-CE1 3.68Å; Q110-Y125 HydrophobicContact CB-CE2 4.36Å; Q110-Y125 HydrophobicContact CB-CG 4.01Å; Q110-Y125 HydrophobicContact CG-CD1 3.62Å; Q110-Y125 HydrophobicContact CG-CE1 3.59Å; Q110-Y125 HydrophobicContact CG-CG 4.43Å
111V93.7Very high92.4Very high134 Ų13458 Ų5881%0.81235%0.346SS*.THydrogen-bonded Turntrans-90.9-33.3-178.1-176.80000111.7N109N109-V111 PolarHBondContact O-N 3.14Å; N109-V111 WeakPolarHBondContact OD1-CB 3.39Å; N109-V111 PolarHBondContact OD1-N 3.48Å
112K94.8Very high92.3Very high122 Ų12264.6 Ų64.653%0.5337%0.366SS..THydrogen-bonded Turntrans-98.7-26-174.3-61.6-171.8174-1690114.6D106 N109 D114D106-K112 HydrophobicContact CB-CB 4.02Å; D106-K112 WeakPolarHBondContact OD1-CD 3.48Å; D106-K112 IonicContact OD1-NZ 2.66Å; N109-K112 HydrophobicContact CB-CB 4.07Å; N109-K112 HydrophobicContact CB-CG 4.46Å; N109-K112 PolarHBondContact O-N 3.2Å; N109-K112 PolarHBondContact OD1-N 2.91Å; N109-K112 VanDerWaalsContact OD1-N 3.17Å; K112-D114 PolarHBondContact O-N 3.42Å
113A95.4Very high92.5Very high13 Ų1364.9 Ų64.911%0.10738%0.377CS..  trans-58.6125.9-179.500000110D106 N109 Y125D106-A113 VanDerWaalsContact O-CA 3.3Å; D106-A113 WeakPolarHBondContact O-CA 3.34Å; D106-A113 VanDerWaalsContact O-CB 3.27Å; D106-A113 WeakPolarHBondContact O-CB 3.31Å; D106-A113 PolarHBondContact O-N 2.99Å; N109-A113 WeakPolarHBondContact O-CB 3.42Å; N109-A113 PolarHBondContact O-N 2.98Å; A113-Y125 VanDerWaalsContact CB-CB 3.49Å
114D95.1Very high92.7Very high61 Ų6166.7 Ų66.733%0.32638%0.379SS..  trans-114.897.6171.2-170.1-10.8000109.5A46 R47 T50 K112 S116A46-D114 CarbonylContact C-O 3.54Å; A46-D114 VanDerWaalsContact CA-O 3.27Å; A46-D114 WeakPolarHBondContact CA-O 3.37Å; R47-D114 HydrophobicContact CB-CB 4.45Å; R47-D114 PolarHBondContact N-O 3.21Å; T50-D114 PolarHBondContact OG1-N 2.93Å; T50-D114 VanDerWaalsContact OG1-N 3.1Å; K112-D114 PolarHBondContact O-N 3.42Å; D114-S116 WeakPolarHBondContact OD1-CB 3.25Å; D114-S116 PolarHBondContact OD1-N 2.74Å; D114-S116 PolarHBondContact OD1-OG 3.4Å
115L94.6Very high92.9Very high12 Ų1270.6 Ų70.66%0.06339%0.394CS..  trans-111.130174.3-64.4175.9000111.3V42 G45 A46 L107 G117 M118 S119 L124V42-L115 HydrophobicContact CG1-CD2 4.03Å; G45-L115 CarbonylContact O-C 3.54Å; G45-L115 WeakPolarHBondContact O-CA 3.33Å; A46-L115 HydrophobicContact CB-CD2 4.17Å; L107-L115 HydrophobicContact CD1-CD1 4.07Å; L107-L115 HydrophobicContact CD1-CD2 3.86Å; L107-L115 HydrophobicContact CD1-CG 4.3Å; L115-G117 PolarHBondContact O-N 3.32Å; L115-G117 VanDerWaalsContact O-N 3.15Å; L115-M118 HydrophobicContact CB-SD 4.46Å; L115-M118 HydrophobicContact CD2-SD 4.25Å; L115-M118 PolarHBondContact O-N 3.11Å; L115-S119 PolarHBondContact O-N 2.99Å; L115-L124 HydrophobicContact CB-CB 4.5Å; L115-L124 HydrophobicContact CB-CD2 3.91Å; L115-L124 HydrophobicContact CB-CG 4.14Å; L115-L124 HydrophobicContact CD1-CD2 4.38Å; L115-L124 HydrophobicContact CD1-CG 4.04Å
116S94.1Very high92.9Very high66 Ų6669.8 Ų69.846%0.46239%0.387SS..THydrogen-bonded Turntrans-62.2-20.2-177.656.50000113.8R47 D114 M118 S119R47-S116 WeakPolarHBondContact CG-OG 3.27Å; D114-S116 WeakPolarHBondContact OD1-CB 3.25Å; D114-S116 PolarHBondContact OD1-N 2.74Å; D114-S116 PolarHBondContact OD1-OG 3.4Å; S116-M118 VanDerWaalsContact C-N 3.27Å; S116-M118 PolarHBondContact O-N 2.91Å; S116-S119 WeakPolarHBondContact CA-O 3.27Å
117G93Very high92.8Very high38 Ų3873 Ų7339%0.39241%0.411SS..THydrogen-bonded Turntrans-70-19.7171.200000114.1G45 L115G45-G117 VanDerWaalsContact O-CA 3.25Å; G45-G117 WeakPolarHBondContact O-CA 3.4Å; G45-G117 PolarHBondContact O-N 3.28Å; L115-G117 PolarHBondContact O-N 3.32Å; L115-G117 VanDerWaalsContact O-N 3.15Å
118M93.2Very high92.8Very high112 Ų11277.6 Ų77.655%0.55243%0.431SS*.THydrogen-bonded Turntrans-94.2-41175.7-53.8-173.676.700112.5G45 L115 S116 L124G45-M118 VanDerWaalsContact CA-CG 3.44Å; L115-M118 HydrophobicContact CB-SD 4.46Å; L115-M118 HydrophobicContact CD2-SD 4.25Å; L115-M118 PolarHBondContact O-N 3.11Å; S116-M118 VanDerWaalsContact C-N 3.27Å; S116-M118 PolarHBondContact O-N 2.91Å; M118-L124 HydrophobicContact CB-CD2 4.31Å
119S92.4Very high92.7Very high34 Ų3477.5 Ų77.524%0.23843%0.433CS..  trans-149.7138.7-177.5179.60000110.6L115 S116 T121L115-S119 PolarHBondContact O-N 2.99Å; S116-S119 WeakPolarHBondContact CA-O 3.27Å; S119-T121 PolarHBondContact O-N 2.87Å; S119-T121 PolarHBondContact OG-N 2.76Å; S119-T121 PolarHBondContact OG-OG1 3.41Å
120P88.2Confident92.7Very high127 Ų12779 Ų7983%0.82544%0.441SS*.SBendtrans-69.7-8.4174.530.7-36.1000113.2K122P120-K122 PolarHBondContact O-N 3.39Å
121T88.7Confident92.8Very high97 Ų9774 Ų7460%0.59542%0.417SS*.  trans-70.1126.6-179.8-52.40000111.6S119S119-T121 PolarHBondContact O-N 2.87Å; S119-T121 PolarHBondContact OG-N 2.76Å; S119-T121 PolarHBondContact OG-OG1 3.41Å
122K84.9Confident92.9Very high202 Ų20273.7 Ų73.788%0.87841%0.405SS*.THydrogen-bonded Turntrans-70.1146.5175.7-65.2-171177.1-173.70111.8P120P120-K122 PolarHBondContact O-N 3.39Å
123G88.4Confident92.9Very high38 Ų3868.3 Ų68.339%0.39238%0.383SS..THydrogen-bonded Turntrans80.414.9177.100000114.4Y125G123-Y125 WeakPolarHBondContact O-CD1 3.35Å
124L93.6Very high92.9Very high68 Ų6873.6 Ų73.636%0.35640%0.401SS..  trans-71.1124.4166.7-178.663.8000109.1L115 M118L115-L124 HydrophobicContact CB-CB 4.5Å; L115-L124 HydrophobicContact CB-CD2 3.91Å; L115-L124 HydrophobicContact CB-CG 4.14Å; L115-L124 HydrophobicContact CD1-CD2 4.38Å; L115-L124 HydrophobicContact CD1-CG 4.04Å; M118-L124 HydrophobicContact CB-CD2 4.31Å
125Y95.1Very high92.8Very high81 Ų8171.9 Ų71.932%0.31839%0.391SS..  trans-147.2161.3177.773.6-72.8000109.8Q110 A113 G123 S127Q110-Y125 HydrophobicContact CB-CD1 3.65Å; Q110-Y125 HydrophobicContact CB-CD2 4.35Å; Q110-Y125 HydrophobicContact CB-CE1 3.68Å; Q110-Y125 HydrophobicContact CB-CE2 4.36Å; Q110-Y125 HydrophobicContact CB-CG 4.01Å; Q110-Y125 HydrophobicContact CG-CD1 3.62Å; Q110-Y125 HydrophobicContact CG-CE1 3.59Å; Q110-Y125 HydrophobicContact CG-CG 4.43Å; A113-Y125 VanDerWaalsContact CB-CB 3.49Å; G123-Y125 WeakPolarHBondContact O-CD1 3.35Å; Y125-S127 PolarHBondContact O-N 3.3Å
126L93.3Very high92.7Very high47 Ų4774.1 Ų74.125%0.24640%0.404CS..  trans-82.3106.5175.1-170.860.9000109.2L107 F108 A129L107-L126 HydrophobicContact CD1-CB 3.92Å; L107-L126 HydrophobicContact CD2-CB 4.39Å; L107-L126 HydrophobicContact CD2-CD2 3.66Å; L107-L126 HydrophobicContact CG-CB 3.74Å; L107-L126 HydrophobicContact CG-CD2 3.96Å; L107-L126 WeakPolarHBondContact O-CB 3.38Å; L107-L126 PolarHBondContact O-N 3.48Å; F108-L126 WeakPolarHBondContact CA-O 3.46Å; F108-L126 HydrophobicContact CD1-CB 4.3Å; F108-L126 HydrophobicContact CD1-CD2 4.44Å; F108-L126 HydrophobicContact CD1-CG 4.34Å; F108-L126 VanDerWaalsContact CD1-O 3.23Å; F108-L126 WeakPolarHBondContact CD1-O 3.39Å; F108-L126 HydrophobicContact CE1-CB 4.3Å; F108-L126 HydrophobicContact CE1-CD2 3.65Å; F108-L126 HydrophobicContact CE1-CG 3.92Å; F108-L126 HydrophobicContact CZ-CD2 4.01Å; L126-A129 HydrophobicContact CD2-CB 4.2Å
127S93.9Very high92.5Very high81 Ų8172.8 Ų72.857%0.56639%0.392SS*.  trans-72.2-45.2178.158.40000111.9N96 Y125N96-S127 PolarHBondContact ND2-O 2.93Å; Y125-S127 PolarHBondContact O-N 3.3Å
128K93.4Very high92.3Very high97 Ų9773.2 Ų73.242%0.42239%0.39SS..  trans-150.5136.1-175-166170.5-179.6139.20112E94 N96 I130E94-K128 VanDerWaalsContact CD-NZ 3.32Å; E94-K128 HydrophobicContact CG-CG 4.24Å; E94-K128 IonicContact OE1-NZ 3.62Å; E94-K128 WeakPolarHBondContact OE2-CE 3.37Å; E94-K128 IonicContact OE2-NZ 2.64Å; E94-K128 PolarHBondContact OE2-NZ 3.47Å; N96-K128 WeakPolarHBondContact OD1-CA 3Å; K128-I130 HydrophobicContact CD-CD1 3.88Å; K128-I130 HydrophobicContact CD-CG1 4.01Å; K128-I130 HydrophobicContact CG-CD1 4.25Å; K128-I130 HydrophobicContact CG-CG1 3.85Å
129A92.9Very high91.6Very high17 Ų1772.6 Ų72.614%0.1439%0.385CS..  trans-116.7118.3172.500000109.4E94 L95 N96 L99 F108 L126E94-A129 CarbonylContact C-O 3.55Å; E94-A129 WeakPolarHBondContact CA-O 3.33Å; L95-A129 HydrophobicContact CB-CB 4.01Å; L95-A129 HydrophobicContact CD1-CB 4.28Å; L95-A129 PolarHBondContact N-O 3.42Å; N96-A129 PolarHBondContact OD1-N 3.44Å; L99-A129 HydrophobicContact CD1-CB 4.49Å; F108-A129 HydrophobicContact CE1-CB 4.49Å; L126-A129 HydrophobicContact CD2-CB 4.2Å
130I95Very high90.4Very high94 Ų9479 Ų7948%0.48241%0.412SS..EExtended strand (participates in β ladder)trans-118.7125-177.5-53.8179.1000109K92 Y93 K128K92-I130 HydrophobicContact CG-CG2 4.11Å; Y93-I130 WeakPolarHBondContact O-CA 3.49Å; K128-I130 HydrophobicContact CD-CD1 3.88Å; K128-I130 HydrophobicContact CD-CG1 4.01Å; K128-I130 HydrophobicContact CG-CD1 4.25Å; K128-I130 HydrophobicContact CG-CG1 3.85Å
131H95.5Very high88.8Confident14 Ų1476.5 Ų76.57%0.06541%0.408CS..EExtended strand (participates in β ladder)trans-112121.7171179.868.7000109.8S31 L35 K92 Y93 L95 S133S31-H131 PolarHBondContact N-NE2 3.14Å; L35-H131 HydrophobicContact CD2-CB 3.79Å; K92-H131 CarbonylContact C-O 3.54Å; K92-H131 WeakPolarHBondContact CA-O 3.09Å; Y93-H131 PolarHBondContact N-O 2.87Å; Y93-H131 PolarHBondContact O-N 3.15Å; L95-H131 HydrophobicContact CD1-CB 4.01Å; L95-H131 HydrophobicContact CD2-CB 4.18Å; L95-H131 HydrophobicContact CG-CB 4.21Å; H131-S133 PolarHBondContact NE2-OG 3.41Å; H131-S133 VanDerWaalsContact NE2-OG 3.17Å
132K95.8Very high86.8Confident126 Ų12676.4 Ų76.455%0.54841%0.408SS..EExtended strand (participates in β ladder)trans-119.8133.8174.5-170.1-178.8-179.9-177.80108.8E90 T91 K92E90-K132 WeakPolarHBondContact OE1-CE 3.4Å; E90-K132 IonicContact OE1-NZ 3.48Å; E90-K132 PolarHBondContact OE1-NZ 2.86Å; T91-K132 VanDerWaalsContact O-CA 3.32Å; T91-K132 WeakPolarHBondContact O-CA 3.24Å; T91-K132 WeakPolarHBondContact O-CG 3.33Å; K92-K132 HydrophobicContact CB-CG 4.49Å
133S94.6Very high85.2Confident9 Ų973.8 Ų73.86%0.06340%0.399CS..EExtended strand (participates in β ladder)trans-138.5149.6176.535.40000111.4F29 E90 T91 H131F29-S133 PolarHBondContact O-OG 2.94Å; F29-S133 VanDerWaalsContact O-OG 3.07Å; E90-S133 WeakPolarHBondContact CA-O 3.47Å; T91-S133 PolarHBondContact N-O 2.92Å; T91-S133 PolarHBondContact O-N 3.49Å; T91-S133 PolarHBondContact OG1-OG 2.95Å; H131-S133 PolarHBondContact NE2-OG 3.41Å; H131-S133 VanDerWaalsContact NE2-OG 3.17Å
134Y94.6Very high83.2Confident124 Ų12476.2 Ų76.249%0.48642%0.415SS..EExtended strand (participates in β ladder)trans-134.5138.6-179.6177-97.1000109.7L89 E90 D136L89-Y134 CarbonylContact O-C 3.52Å; L89-Y134 VanDerWaalsContact O-CA 3.26Å; L89-Y134 WeakPolarHBondContact O-CA 2.79Å; E90-Y134 HydrophobicContact CB-CD2 4.08Å; E90-Y134 HydrophobicContact CG-CD2 4.31Å; Y134-D136 HydrophobicContact CE1-CB 3.85Å; Y134-D136 PolarHBondContact OH-OD2 3.46Å
135L93.6Very high80.9Confident25 Ų2576.4 Ų76.413%0.13143%0.427CS..EExtended strand (participates in β ladder)trans-140.1134.4173.4175.765.5000109.1F29 F87 K88 L89 V137 F171 I173F29-L135 HydrophobicContact CD1-CB 4.18Å; F29-L135 HydrophobicContact CD2-CD2 4.42Å; F29-L135 HydrophobicContact CE1-CB 3.49Å; F29-L135 VanDerWaalsContact CE1-CB 3.49Å; F29-L135 HydrophobicContact CE2-CB 4.2Å; F29-L135 HydrophobicContact CE2-CD2 3.84Å; F29-L135 HydrophobicContact CZ-CB 3.51Å; F29-L135 HydrophobicContact CZ-CD2 3.96Å; F29-L135 HydrophobicContact CZ-CG 4.23Å; F87-L135 HydrophobicContact CE2-CD2 3.87Å; F87-L135 HydrophobicContact CZ-CD2 4.39Å; K88-L135 CarbonylContact C-O 3.6Å; K88-L135 VanDerWaalsContact CA-O 3.26Å; K88-L135 WeakPolarHBondContact CA-O 3.21Å; L89-L135 HydrophobicContact CB-CB 4.47Å; L89-L135 PolarHBondContact N-O 3.02Å; L89-L135 PolarHBondContact O-N 3.46Å; L135-V137 HydrophobicContact CD1-CG2 4.04Å; L135-V137 HydrophobicContact CD2-CG2 3.96Å; L135-V137 HydrophobicContact CG-CG2 3.86Å; L135-F171 HydrophobicContact CD2-CE2 3.54Å; L135-F171 HydrophobicContact CD2-CZ 3.76Å; L135-I173 HydrophobicContact CD1-CD1 4.12Å
136D93.4Very high78.7Confident60 Ų6076.9 Ų76.932%0.32145%0.447SS..EExtended strand (participates in β ladder)trans-125.1115.6170.8-167.2-10.1000107.5K88 Y134K88-D136 HydrophobicContact CD-CB 4.49Å; K88-D136 VanDerWaalsContact CE-CG 3.46Å; K88-D136 WeakPolarHBondContact CE-OD1 3.34Å; K88-D136 WeakPolarHBondContact CE-OD2 2.99Å; K88-D136 HydrophobicContact CG-CB 4.4Å; K88-D136 WeakPolarHBondContact CG-OD1 3.39Å; K88-D136 IonicContact NZ-OD1 3.91Å; K88-D136 IonicContact NZ-OD2 2.76Å; K88-D136 PolarHBondContact NZ-OD2 3.31Å; Y134-D136 HydrophobicContact CE1-CB 3.85Å; Y134-D136 PolarHBondContact OH-OD2 3.46Å
137V89.7Confident76.3Confident37 Ų3778.8 Ų78.822%0.22447%0.47CS..EExtended strand (participates in β ladder)trans-104.1108.7176.2-179.20000108.1L84 R86 F87 L135L84-V137 HydrophobicContact CD2-CG1 4.17Å; R86-V137 WeakPolarHBondContact CA-O 3.41Å; F87-V137 HydrophobicContact CD1-CB 4.09Å; F87-V137 HydrophobicContact CD1-CG2 4.37Å; F87-V137 HydrophobicContact CD2-CG2 4.36Å; F87-V137 HydrophobicContact CE1-CB 3.86Å; F87-V137 HydrophobicContact CE1-CG1 4.08Å; F87-V137 HydrophobicContact CE1-CG2 3.78Å; F87-V137 HydrophobicContact CE2-CB 4.46Å; F87-V137 HydrophobicContact CE2-CG2 3.79Å; F87-V137 HydrophobicContact CG-CB 4.47Å; F87-V137 HydrophobicContact CZ-CB 4.07Å; F87-V137 HydrophobicContact CZ-CG2 3.47Å; F87-V137 VanDerWaalsContact CZ-CG2 3.47Å; F87-V137 PolarHBondContact N-O 3.39Å; F87-V137 PolarHBondContact O-N 2.89Å; L135-V137 HydrophobicContact CD1-CG2 4.04Å; L135-V137 HydrophobicContact CD2-CG2 3.96Å; L135-V137 HydrophobicContact CG-CG2 3.86Å
138S87.2Confident74.1Confident48 Ų4881 Ų8134%0.33648%0.48SS..  trans-130.1173.2176.878.30000110.6E140S138-E140 VanDerWaalsContact C-N 3.32Å; S138-E140 PolarHBondContact OG-N 3.1Å
139E79.9Confident71.9Confident98 Ų9879.6 Ų79.646%0.45849%0.493SS..  trans-880.1175.6-70.7155.7-137.700112.9R86 G141 T142R86-E139 IonicContact CZ-OE1 3.86Å; R86-E139 IonicContact CZ-OE2 3.8Å; R86-E139 IonicContact NE-OE1 3.64Å; R86-E139 PolarHBondContact NE-OE1 2.75Å; R86-E139 IonicContact NE-OE2 3.66Å; R86-E139 IonicContact NH2-OE1 2.68Å; R86-E139 PolarHBondContact NH2-OE1 3.37Å; R86-E139 IonicContact NH2-OE2 2.75Å; R86-E139 PolarHBondContact NH2-OE2 2.98Å; E139-G141 PolarHBondContact O-N 3.03Å; E139-T142 PolarHBondContact O-N 3.33Å
140E67.1Low69.3Low170 Ų17086.7 Ų86.779%0.79453%0.529SS*.THydrogen-bonded Turntrans-59.3112.2-177.5-79.2-179.9143.400110.1S138S138-E140 VanDerWaalsContact C-N 3.32Å; S138-E140 PolarHBondContact OG-N 3.1Å
141G53.8Low66.9Low73 Ų7387.2 Ų87.275%0.75354%0.541SS*.THydrogen-bonded Turntrans111.8-12.9-175.800000115.6E139E139-G141 PolarHBondContact O-N 3.03Å
142T46.9Very low64Low95 Ų9594.2 Ų94.258%0.58358%0.577SS**THydrogen-bonded Turntrans-100.6-13177.7-47.90000112.8E139 A144 A145E139-T142 PolarHBondContact O-N 3.33Å; T142-A144 PolarHBondContact O-N 2.89Å; T142-A144 VanDerWaalsContact O-N 3.15Å; T142-A145 PolarHBondContact O-N 3.04Å; T142-A145 VanDerWaalsContact O-N 3.11Å
143E51.4Low61.4Low148 Ų14892.5 Ų92.569%0.69259%0.586SS**THydrogen-bonded Turntrans-55.9-30.4176.3-72.1-176.6162.200113.2A145E143-A145 PolarHBondContact O-N 3.03Å
144A46.5Very low59.1Low89 Ų8998.9 Ų98.974%0.73663%0.625SS**THydrogen-bonded Turntrans-72.5-25.5179.700000114.1T142T142-A144 PolarHBondContact O-N 2.89Å; T142-A144 VanDerWaalsContact O-N 3.15Å
145A46.1Very low56.7Low72 Ų72102 Ų10260%0.59564%0.641SS**THydrogen-bonded Turntrans-86.4-23.1-178.500000113.1T142 E143 A147T142-A145 PolarHBondContact O-N 3.04Å; T142-A145 VanDerWaalsContact O-N 3.11Å; E143-A145 PolarHBondContact O-N 3.03Å; A145-A147 VanDerWaalsContact C-N 3.34Å
146A47.1Very low54.5Low90 Ų90106.2 Ų106.274%0.74467%0.672SS**THydrogen-bonded Turntrans-79-13.1-178.300000114.1
147A44Very low52.4Low88 Ų88109.9 Ų109.973%0.72769%0.691SS**THydrogen-bonded Turntrans-80.9-13-176.400000114.4A145A145-A147 VanDerWaalsContact C-N 3.34Å
148T48.4Very low50.9Low126 Ų126113 Ų11377%0.77371%0.713SS**SBendtrans-10191.317833.20000111.6
149G46Very low49.7Very low69 Ų69119.8 Ų119.871%0.71174%0.741SS**  trans125.975153.400000115.3
150D38.1Very low49.5Very low165 Ų165121.1 Ų121.188%0.88274%0.742SS**  trans-146.491.9141.3-137.7-4000111.7
151S44.2Very low50.3Low106 Ų106114.4 Ų114.474%0.74172%0.716SS**  trans-148.8107.5149.457.90000106.4
152I36.1Very low52.1Low160 Ų160115.9 Ų115.982%0.82170%0.703SS**SBendtrans169.2134133.8-79.7151.5000109.7
153A40.1Very low54.1Low90 Ų90116.9 Ų116.974%0.74470%0.699SS**  trans-10.9138.2170.700000120.5K155A153-K155 PolarHBondContact O-N 3.26Å
154V46.9Very low56.1Low144 Ų144114.1 Ų114.187%0.87369%0.685SS**  trans-47.3111.6172.7-176.10000113
155K43.2Very low58.2Low188 Ų188110.4 Ų110.482%0.81765%0.654SS**  trans-125.9120.7146.6-99.4-178.7175.4177.90106.6A153 L157A153-K155 PolarHBondContact O-N 3.26Å; K155-L157 PolarHBondContact O-N 3.47Å
156S47.5Very low60.3Low114 Ų114113 Ų11380%0.79766%0.658SS**  trans-9.291179.358.30000114.3
157L50.9Low62.4Low137 Ų137114.4 Ų114.472%0.71765%0.649SS**  trans-62.8129.8174.1-79155000107.7K155 M159K155-L157 PolarHBondContact O-N 3.47Å; L157-M159 PolarHBondContact O-N 3.3Å
158P57.4Low64.7Low104 Ų104114.3 Ų114.368%0.67564%0.641SS**  trans-55.5135.2170.922.5-29.7000108.4R160P158-R160 PolarHBondContact O-N 3.17Å
159M62.5Low66.7Low189 Ų189110 Ų11093%0.93161%0.611SS**  trans-54.2106175.6-86.8-18075.800108.8L157L157-M159 PolarHBondContact O-N 3.3Å
160R74.3Confident68.9Low127 Ų127111.2 Ų111.248%0.47960%0.601SS.*  trans-65.3138.3170.5-70.7177172160.3-6107.8E79 P158E79-R160 IonicContact OE1-CZ 2.72Å; E79-R160 IonicContact OE1-NE 2.92Å; E79-R160 PolarHBondContact OE1-NE 2.85Å; E79-R160 VanDerWaalsContact OE1-NE 3.12Å; E79-R160 IonicContact OE1-NH2 3.48Å; E79-R160 PolarHBondContact OE1-NH2 3.29Å; E79-R160 IonicContact OE2-CZ 3.91Å; E79-R160 IonicContact OE2-NE 2.89Å; E79-R160 PolarHBondContact OE2-NE 2.98Å; E79-R160 VanDerWaalsContact OE2-NE 3.1Å; E79-R160 IonicContact OE2-NH2 3.23Å; P158-R160 PolarHBondContact O-N 3.17Å
161A84.7Confident71.4Confident29 Ų29104.8 Ų104.824%0.2457%0.566CS.*EExtended strand (participates in β ladder)trans-63.5143.817100000108.7V80 E81V80-A161 CarbonylContact C-O 3.53Å; V80-A161 VanDerWaalsContact CA-O 3.3Å; V80-A161 WeakPolarHBondContact CA-O 3.46Å; V80-A161 HydrophobicContact CG1-CB 4.46Å; V80-A161 VanDerWaalsContact CG1-O 3.31Å; V80-A161 WeakPolarHBondContact CG1-O 3.49Å; V80-A161 HydrophobicContact CG2-CB 4.32Å; E81-A161 PolarHBondContact N-O 3.35Å
162Q91.1Very high73.7Confident103 Ų103103 Ų10348%0.48155%0.545SS..EExtended strand (participates in β ladder)trans-109.8135.1176.3-61.9-168.3-14.100109.8E81E81-Q162 HydrophobicContact CB-CG 4.23Å; E81-Q162 CarbonylContact O-C 3.6Å; E81-Q162 WeakPolarHBondContact O-CA 3.36Å; E81-Q162 PolarHBondContact OE2-NE2 3.04Å
163F90.2Very high76.4Confident116 Ų11698.6 Ų98.651%0.50952%0.522SS..EExtended strand (participates in β ladder)trans-115.5112.7168.7178-91.9000108.3V80 E81 V82 H83 A165V80-F163 HydrophobicContact CG1-CB 3.74Å; E81-F163 PolarHBondContact O-N 2.76Å; V82-F163 WeakPolarHBondContact CA-O 3.47Å; V82-F163 HydrophobicContact CG1-CD1 4.18Å; V82-F163 HydrophobicContact CG2-CB 4.49Å; H83-F163 PolarHBondContact N-O 3.35Å; F163-A165 HydrophobicContact CE1-CB 4.05Å
164K92.1Very high78.7Confident91 Ų9198 Ų9840%0.39650%0.5SS..EExtended strand (participates in β ladder)trans-117.9107.9-179-62.5-174.7177.5167.30110.5H83 N166H83-K164 HydrophobicContact CB-CB 4.35Å; H83-K164 HydrophobicContact CB-CG 4Å; K164-N166 PolarHBondContact O-N 2.91Å; K164-N166 PolarHBondContact O-OD1 2.8Å
165A92Very high80.7Confident10 Ų1095.4 Ų95.48%0.08348%0.479CS..  trans-83.660.2174.300000110.8H83 L84 P85 F163 F169H83-A165 PolarHBondContact O-N 3.34Å; L84-A165 HydrophobicContact CD1-CB 3.83Å; P85-A165 WeakPolarHBondContact CD-O 3.26Å; F163-A165 HydrophobicContact CE1-CB 4.05Å; A165-F169 HydrophobicContact CB-CD1 3.8Å; A165-F169 HydrophobicContact CB-CE1 3.78Å; A165-F169 HydrophobicContact CB-CG 4.45Å; A165-F169 HydrophobicContact CB-CZ 4.45Å
166N90.4Very high82.6Confident126 Ų12691.9 Ų91.967%0.67447%0.473SS*.  trans-102.416.8-17570.2-17.4000114K164K164-N166 PolarHBondContact O-N 2.91Å; K164-N166 PolarHBondContact O-OD1 2.8Å
167H90.1Very high84.3Confident120 Ų12094.6 Ų94.656%0.55647%0.473SS*.SBendtrans-149.9166.9179.154.1-87000108.3F169H167-F169 WeakPolarHBondContact O-CD1 3.46Å; H167-F169 PolarHBondContact O-N 2.7Å
168P91.7Very high85.8Confident87 Ų8790.7 Ų90.757%0.56546%0.455SS*.  trans-49130-178.3-30.835000113.3L187 A188P168-L187 CarbonylContact C-O 3.42Å; P168-L187 WeakPolarHBondContact CA-O 3.31Å; P168-A188 WeakPolarHBondContact CG-O 3.3Å
169F91.9Very high86.9Confident34 Ų3489.1 Ų89.115%0.14944%0.44CS..EExtended strand (participates in β ladder)trans-137.2154.9-178.663.4-96.3000112.5L84 P85 F87 A165 H167 F171 K186 L187L84-F169 HydrophobicContact CD1-CE2 4.4Å; L84-F169 HydrophobicContact CD1-CZ 4.02Å; P85-F169 HydrophobicContact CG-CE1 4.04Å; P85-F169 HydrophobicContact CG-CZ 4.34Å; F87-F169 AromaticContact CE1-CZ 3.99Å; F87-F169 HydrophobicContact CE1-CZ 3.99Å; F87-F169 HydrophobicContact CZ-CZ 4.36Å; A165-F169 HydrophobicContact CB-CD1 3.8Å; A165-F169 HydrophobicContact CB-CE1 3.78Å; A165-F169 HydrophobicContact CB-CG 4.45Å; A165-F169 HydrophobicContact CB-CZ 4.45Å; H167-F169 WeakPolarHBondContact O-CD1 3.46Å; H167-F169 PolarHBondContact O-N 2.7Å; F169-F171 HydrophobicContact CD2-CB 4.3Å; F169-F171 HydrophobicContact CD2-CD1 4.16Å; F169-F171 HydrophobicContact CE2-CB 4.25Å; F169-F171 AromaticContact CE2-CD1 3.83Å; F169-F171 HydrophobicContact CE2-CD1 3.83Å; F169-F171 HydrophobicContact CE2-CG 4.37Å; F169-K186 WeakPolarHBondContact O-CA 3.28Å; F169-L187 HydrophobicContact CD1-CB 4.49Å; F169-L187 HydrophobicContact CD2-CB 4.49Å; F169-L187 HydrophobicContact CE1-CB 4.11Å; F169-L187 HydrophobicContact CE1-CD2 3.56Å; F169-L187 HydrophobicContact CE1-CG 4.37Å; F169-L187 HydrophobicContact CE2-CB 4.09Å; F169-L187 HydrophobicContact CE2-CD2 4.36Å; F169-L187 HydrophobicContact CZ-CB 3.89Å; F169-L187 HydrophobicContact CZ-CD2 3.41Å; F169-L187 VanDerWaalsContact CZ-CD2 3.41Å; F169-L187 HydrophobicContact CZ-CG 4.28Å; F169-L187 PolarHBondContact N-O 3.24Å; F169-L187 PolarHBondContact O-N 3.44Å
170L91.2Very high88Confident95 Ų9580.8 Ų80.850%0.49740%0.401SS..EExtended strand (participates in β ladder)trans-94.1145.7168.9-58.2-179000109.4F16 F172 G185 K186F16-L170 HydrophobicContact CE1-CD2 4.29Å; F16-L170 HydrophobicContact CE2-CD2 3.98Å; F16-L170 HydrophobicContact CZ-CD2 3.45Å; F16-L170 VanDerWaalsContact CZ-CD2 3.45Å; L170-F172 HydrophobicContact CB-CE2 4.27Å; L170-G185 WeakPolarHBondContact CA-O 3.27Å; L170-K186 HydrophobicContact CD2-CB 3.64Å; L170-K186 HydrophobicContact CD2-CD 4.37Å; L170-K186 HydrophobicContact CD2-CG 3.78Å
171F91.6Very high88.7Confident30 Ų3074.8 Ų74.813%0.13238%0.378CS..EExtended strand (participates in β ladder)trans-142.3151.7173.867.2-87.3000110.8F29 F87 L89 L135 F169 G185 L187F29-F171 AromaticContact CD2-CE2 3.89Å; F29-F171 HydrophobicContact CD2-CE2 3.89Å; F29-F171 AromaticContact CD2-CZ 3.69Å; F29-F171 HydrophobicContact CD2-CZ 3.69Å; F29-F171 AromaticContact CE2-CE2 3.79Å; F29-F171 HydrophobicContact CE2-CE2 3.79Å; F29-F171 HydrophobicContact CE2-CZ 4.05Å; F87-F171 HydrophobicContact CE2-CE1 4.28Å; F87-F171 HydrophobicContact CE2-CZ 4.22Å; F87-F171 HydrophobicContact CZ-CE1 4.41Å; L89-F171 HydrophobicContact CD1-CE1 3.98Å; L89-F171 HydrophobicContact CD1-CZ 3.71Å; L135-F171 HydrophobicContact CD2-CE2 3.54Å; L135-F171 HydrophobicContact CD2-CZ 3.76Å; F169-F171 HydrophobicContact CD2-CB 4.3Å; F169-F171 HydrophobicContact CD2-CD1 4.16Å; F169-F171 HydrophobicContact CE2-CB 4.25Å; F169-F171 AromaticContact CE2-CD1 3.83Å; F169-F171 HydrophobicContact CE2-CD1 3.83Å; F169-F171 HydrophobicContact CE2-CG 4.37Å; F171-G185 PolarHBondContact N-O 3.06Å; F171-G185 PolarHBondContact O-N 3.27Å; F171-L187 HydrophobicContact CE1-CB 4.41Å
172F91.1Very high89.1Confident70 Ų7075.9 Ų75.931%0.30738%0.379SS..EExtended strand (participates in β ladder)trans-135.3131.4179.8-58.6-90.8000108.7F66 L170 I181 F183 C184F66-F172 HydrophobicContact CD2-CE2 4.5Å; F66-F172 HydrophobicContact CD2-CZ 4.31Å; F66-F172 AromaticContact CE2-CD1 3.97Å; F66-F172 HydrophobicContact CE2-CD1 3.97Å; F66-F172 AromaticContact CE2-CD2 3.81Å; F66-F172 HydrophobicContact CE2-CD2 3.81Å; F66-F172 AromaticContact CE2-CE1 3.88Å; F66-F172 HydrophobicContact CE2-CE1 3.88Å; F66-F172 AromaticContact CE2-CE2 3.76Å; F66-F172 HydrophobicContact CE2-CE2 3.76Å; F66-F172 AromaticContact CE2-CG 3.92Å; F66-F172 HydrophobicContact CE2-CG 3.92Å; F66-F172 AromaticContact CE2-CZ 3.79Å; F66-F172 HydrophobicContact CE2-CZ 3.79Å; F66-F172 HydrophobicContact CZ-CD1 4.29Å; F66-F172 HydrophobicContact CZ-CD2 4.4Å; F66-F172 HydrophobicContact CZ-CG 4.17Å; L170-F172 HydrophobicContact CB-CE2 4.27Å; F172-I181 HydrophobicContact CD1-CD1 3.88Å; F172-I181 HydrophobicContact CD1-CG2 4.14Å; F172-I181 HydrophobicContact CE1-CD1 4.28Å; F172-F183 WeakPolarHBondContact CA-O 3.38Å; F172-C184 HydrophobicContact CD1-CB 3.98Å; F172-C184 HydrophobicContact CE1-CB 4.08Å; F172-C184 WeakPolarHBondContact CE1-SG 3.39Å
173I92.6Very high89.3Confident66 Ų6673.9 Ų73.934%0.33837%0.369SS..EExtended strand (participates in β ladder)trans-97.7119.3169.2-55.4178000106.3L135 L182 F183L135-I173 HydrophobicContact CD1-CD1 4.12Å; I173-L182 HydrophobicContact CG2-CB 4.49Å; I173-L182 HydrophobicContact CG2-CD1 4.43Å; I173-L182 WeakPolarHBondContact O-CA 3.43Å; I173-L182 WeakPolarHBondContact O-CB 3.5Å; I173-L182 PolarHBondContact O-N 3.42Å; I173-F183 HydrophobicContact CB-CB 4.06Å; I173-F183 HydrophobicContact CB-CD2 4.24Å; I173-F183 HydrophobicContact CD1-CB 4.11Å; I173-F183 HydrophobicContact CD1-CD2 4.16Å; I173-F183 HydrophobicContact CD1-CG 4.35Å; I173-F183 HydrophobicContact CG1-CB 4.22Å; I173-F183 HydrophobicContact CG2-CD2 4.49Å; I173-F183 PolarHBondContact N-O 3.48Å; I173-F183 PolarHBondContact O-N 3.2Å
174R88.6Confident89.5Confident77 Ų7768.3 Ų68.329%0.29135%0.345SS..EExtended strand (participates in β ladder)trans-127.6140.7-171.1-175.8-179.867.9177.3-2.3110.8T70 T176 N179 T180T70-R174 PolarHBondContact O-NH1 3.42Å; R174-T176 PolarHBondContact O-N 3.46Å; R174-N179 VanDerWaalsContact CZ-OD1 3.31Å; R174-N179 PolarHBondContact NH1-OD1 2.76Å; R174-T180 CarbonylContact C-O 3.47Å; R174-T180 VanDerWaalsContact CA-O 3.31Å; R174-T180 WeakPolarHBondContact CA-O 3.37Å; R174-T180 WeakPolarHBondContact CG-O 3.24Å
175H88.9Confident89.5Confident91 Ų9164 Ų6442%0.42133%0.326SS..EExtended strand (participates in β ladder)trans-77.6110.1167.8180-128.2000110.2H177 T178 N179 T180 L182H175-H177 PolarHBondContact O-N 3.42Å; H175-T178 WeakPolarHBondContact ND1-CG2 3.43Å; H175-T178 PolarHBondContact ND1-OG1 3.32Å; H175-T178 PolarHBondContact O-N 2.95Å; H175-N179 WeakPolarHBondContact O-CA 3.32Å; H175-N179 PolarHBondContact O-N 2.75Å; H175-T180 PolarHBondContact N-O 2.97Å; H175-L182 HydrophobicContact CB-CD1 4.48Å; H175-L182 HydrophobicContact CB-CD2 4.38Å; H175-L182 HydrophobicContact CB-CG 4.49Å
176T83.7Confident89.5Confident113 Ų11364.6 Ų64.669%0.69333%0.327SS*.THydrogen-bonded Turntrans-55.1-43.9-170.1-50.30000114.1R174 T178R174-T176 PolarHBondContact O-N 3.46Å; T176-T178 PolarHBondContact O-N 3.48Å
177H82.4Confident89.6Confident171 Ų17158.7 Ų58.779%0.79230%0.295SS*.THydrogen-bonded Turntrans-68.8-37.3-174.8-171.274000112.9H175H175-H177 PolarHBondContact O-N 3.42Å
178T83.6Confident89.5Confident55 Ų5554.2 Ų54.234%0.33728%0.279SS..THydrogen-bonded Turntrans-98.4-10.9-176.560.70000113.8S5 H175 T176 T180S5-T178 WeakPolarHBondContact CB-O 3.23Å; S5-T178 PolarHBondContact OG-O 3.04Å; H175-T178 WeakPolarHBondContact ND1-CG2 3.43Å; H175-T178 PolarHBondContact ND1-OG1 3.32Å; H175-T178 PolarHBondContact O-N 2.95Å; T176-T178 PolarHBondContact O-N 3.48Å; T178-T180 WeakPolarHBondContact CB-OG1 3.32Å; T178-T180 PolarHBondContact O-N 2.81Å; T178-T180 WeakPolarHBondContact OG1-CB 3.47Å; T178-T180 PolarHBondContact OG1-N 2.86Å; T178-T180 PolarHBondContact OG1-OG1 2.75Å
179N80.3Confident88.8Confident71 Ų7153.8 Ų53.838%0.3828%0.278SS..THydrogen-bonded Turntrans57.818.9-167.1-67.6-57.3000115.4R174 H175 I181R174-N179 VanDerWaalsContact CZ-OD1 3.31Å; R174-N179 PolarHBondContact NH1-OD1 2.76Å; H175-N179 WeakPolarHBondContact O-CA 3.32Å; H175-N179 PolarHBondContact O-N 2.75Å; N179-I181 PolarHBondContact O-N 3.1Å
180T85.7Confident87.5Confident15 Ų1557.6 Ų57.69%0.09231%0.306CS..EExtended strand (participates in β ladder)trans-75.3123.7178.5-54.50000111.1N8 L33 R174 H175 T178 L182N8-T180 HydrophobicContact CB-CG2 4.3Å; N8-T180 WeakPolarHBondContact ND2-CG2 3.48Å; L33-T180 HydrophobicContact CD1-CG2 3.88Å; L33-T180 HydrophobicContact CD2-CG2 4.24Å; R174-T180 CarbonylContact C-O 3.47Å; R174-T180 VanDerWaalsContact CA-O 3.31Å; R174-T180 WeakPolarHBondContact CA-O 3.37Å; R174-T180 WeakPolarHBondContact CG-O 3.24Å; H175-T180 PolarHBondContact N-O 2.97Å; T178-T180 WeakPolarHBondContact CB-OG1 3.32Å; T178-T180 PolarHBondContact O-N 2.81Å; T178-T180 WeakPolarHBondContact OG1-CB 3.47Å; T178-T180 PolarHBondContact OG1-N 2.86Å; T178-T180 PolarHBondContact OG1-OG1 2.75Å; T180-L182 PolarHBondContact O-N 3.3Å
181I89.6Confident87.3Confident0 Ų055.7 Ų55.70%030%0.297CS..EExtended strand (participates in β ladder)trans-70.2117.1170.1-57.5178.3000109.4N8 V9 C12 F66 F172 N179 F183 C184N8-I181 WeakPolarHBondContact ND2-CA 3.32Å; N8-I181 WeakPolarHBondContact ND2-CB 3.23Å; N8-I181 PolarHBondContact ND2-N 3.12Å; N8-I181 PolarHBondContact ND2-O 2.83Å; N8-I181 PolarHBondContact OD1-O 3.21Å; V9-I181 HydrophobicContact CB-CD1 4.29Å; V9-I181 HydrophobicContact CG1-CD1 4.43Å; V9-I181 HydrophobicContact CG2-CD1 3.81Å; V9-I181 HydrophobicContact CG2-CG1 3.97Å; C12-I181 HydrophobicContact CB-CD1 4.15Å; F66-I181 HydrophobicContact CD1-CD1 4.4Å; F66-I181 HydrophobicContact CE1-CD1 3.72Å; F66-I181 HydrophobicContact CE1-CG1 4.13Å; F66-I181 HydrophobicContact CE2-CD1 4.08Å; F66-I181 HydrophobicContact CZ-CD1 3.52Å; F66-I181 HydrophobicContact CZ-CG1 4.04Å; F172-I181 HydrophobicContact CD1-CD1 3.88Å; F172-I181 HydrophobicContact CD1-CG2 4.14Å; F172-I181 HydrophobicContact CE1-CD1 4.28Å; N179-I181 PolarHBondContact O-N 3.1Å; I181-F183 VanDerWaalsContact CG2-O 3.29Å; I181-F183 WeakPolarHBondContact CG2-O 3.5Å; I181-C184 HydrophobicContact CG2-CB 4.49Å
182L92.9Very high87.1Confident52 Ų5257.1 Ų57.127%0.27231%0.305SS..EExtended strand (participates in β ladder)trans-84-44.9174.4-54.9-178.4000110.8S31 S32 L33 I173 H175 T180S31-L182 VanDerWaalsContact CA-O 3.24Å; S31-L182 WeakPolarHBondContact CA-O 3.45Å; S31-L182 WeakPolarHBondContact CB-O 3.16Å; S31-L182 PolarHBondContact OG-O 3.44Å; S32-L182 PolarHBondContact N-O 3.5Å; L33-L182 HydrophobicContact CD2-CD2 3.52Å; I173-L182 HydrophobicContact CG2-CB 4.49Å; I173-L182 HydrophobicContact CG2-CD1 4.43Å; I173-L182 WeakPolarHBondContact O-CA 3.43Å; I173-L182 WeakPolarHBondContact O-CB 3.5Å; I173-L182 PolarHBondContact O-N 3.42Å; H175-L182 HydrophobicContact CB-CD1 4.48Å; H175-L182 HydrophobicContact CB-CD2 4.38Å; H175-L182 HydrophobicContact CB-CG 4.49Å; T180-L182 PolarHBondContact O-N 3.3Å
183F95.1Very high86.9Confident61 Ų6156.3 Ų56.327%0.26831%0.305SS..EExtended strand (participates in β ladder)trans-138147.5179.3-63-95.1000111.6F29 F30 F172 I173 I181F29-F183 HydrophobicContact CE1-CD1 4.03Å; F29-F183 HydrophobicContact CE1-CE1 4.38Å; F29-F183 HydrophobicContact CE2-CB 3.67Å; F29-F183 AromaticContact CE2-CD1 3.85Å; F29-F183 HydrophobicContact CE2-CD1 3.85Å; F29-F183 HydrophobicContact CE2-CG 4.07Å; F29-F183 HydrophobicContact CZ-CB 3.99Å; F29-F183 AromaticContact CZ-CD1 3.34Å; F29-F183 HydrophobicContact CZ-CD1 3.34Å; F29-F183 AromaticContact CZ-CE1 4Å; F29-F183 HydrophobicContact CZ-CE1 4Å; F29-F183 AromaticContact CZ-CG 3.85Å; F29-F183 HydrophobicContact CZ-CG 3.85Å; F30-F183 WeakPolarHBondContact O-CA 3.47Å; F172-F183 WeakPolarHBondContact CA-O 3.38Å; I173-F183 HydrophobicContact CB-CB 4.06Å; I173-F183 HydrophobicContact CB-CD2 4.24Å; I173-F183 HydrophobicContact CD1-CB 4.11Å; I173-F183 HydrophobicContact CD1-CD2 4.16Å; I173-F183 HydrophobicContact CD1-CG 4.35Å; I173-F183 HydrophobicContact CG1-CB 4.22Å; I173-F183 HydrophobicContact CG2-CD2 4.49Å; I173-F183 PolarHBondContact N-O 3.48Å; I173-F183 PolarHBondContact O-N 3.2Å; I181-F183 VanDerWaalsContact CG2-O 3.29Å; I181-F183 WeakPolarHBondContact CG2-O 3.5Å
184C93.8Very high86.5Confident0 Ų055.8 Ų55.80%030%0.303CS..EExtended strand (participates in β ladder)trans-127139.6172.91760000109.3C12 F16 F29 F30 F172 I181C12-C184 WeakPolarHBondContact SG-CB 3.28Å; F16-C184 VanDerWaalsContact CD2-SG 3.56Å; F29-C184 WeakPolarHBondContact CA-O 3.28Å; F29-C184 WeakPolarHBondContact CD2-O 3.4Å; F30-C184 HydrophobicContact CE1-CB 4.15Å; F30-C184 HydrophobicContact CE2-CB 4.39Å; F30-C184 HydrophobicContact CZ-CB 3.95Å; F30-C184 PolarHBondContact N-O 2.98Å; F30-C184 PolarHBondContact O-N 3.39Å; F172-C184 HydrophobicContact CD1-CB 3.98Å; F172-C184 HydrophobicContact CE1-CB 4.08Å; F172-C184 WeakPolarHBondContact CE1-SG 3.39Å; I181-C184 HydrophobicContact CG2-CB 4.49Å
185G92.2Very high86.4Confident0 Ų054.4 Ų54.40%030%0.304CS..EExtended strand (participates in β ladder)trans-151.9161.8173.600000115.1I28 L170 F171I28-G185 CarbonylContact O-C 3.59Å; I28-G185 WeakPolarHBondContact O-CA 3.24Å; L170-G185 WeakPolarHBondContact CA-O 3.27Å; F171-G185 PolarHBondContact N-O 3.06Å; F171-G185 PolarHBondContact O-N 3.27Å
186K92.9Very high86.3Confident22 Ų2252 Ų5210%0.09630%0.296CS..EExtended strand (participates in β ladder)trans-124.9120.1169.9178-175.264.3166.30106.5F16 N20 D26 N27 I28 F169 L170F16-K186 HydrophobicContact CE2-CB 3.84Å; F16-K186 HydrophobicContact CZ-CB 3.94Å; F16-K186 HydrophobicContact CZ-CD 4.26Å; N20-K186 PolarHBondContact OD1-NZ 2.83Å; D26-K186 WeakPolarHBondContact O-CE 3.45Å; D26-K186 PolarHBondContact O-NZ 3.37Å; N27-K186 WeakPolarHBondContact CA-O 3.4Å; I28-K186 HydrophobicContact CB-CB 4.12Å; I28-K186 PolarHBondContact N-O 3.18Å; I28-K186 PolarHBondContact O-N 3.49Å; F169-K186 WeakPolarHBondContact O-CA 3.28Å; L170-K186 HydrophobicContact CD2-CB 3.64Å; L170-K186 HydrophobicContact CD2-CD 4.37Å; L170-K186 HydrophobicContact CD2-CG 3.78Å
187L91Very high86.4Confident2 Ų247.6 Ų47.61%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-98.2106.7168.3-16769.9000107.4P85 F87 L89 P168 F169 F171 P190P85-L187 HydrophobicContact CG-CD2 4.21Å; F87-L187 HydrophobicContact CB-CD1 4.35Å; F87-L187 HydrophobicContact CB-CD2 4.12Å; F87-L187 HydrophobicContact CD1-CD2 3.67Å; F87-L187 HydrophobicContact CD2-CD1 3.91Å; F87-L187 HydrophobicContact CD2-CD2 4.08Å; F87-L187 HydrophobicContact CE1-CD2 4.04Å; F87-L187 HydrophobicContact CE2-CD1 4.42Å; F87-L187 HydrophobicContact CE2-CD2 4.4Å; F87-L187 HydrophobicContact CG-CD1 4.16Å; F87-L187 HydrophobicContact CG-CD2 3.7Å; F87-L187 HydrophobicContact CZ-CD2 4.38Å; L89-L187 HydrophobicContact CD1-CD1 4.23Å; L89-L187 HydrophobicContact CD2-CD1 3.88Å; L89-L187 HydrophobicContact CG-CD1 4.33Å; P168-L187 CarbonylContact C-O 3.42Å; P168-L187 WeakPolarHBondContact CA-O 3.31Å; F169-L187 HydrophobicContact CD1-CB 4.49Å; F169-L187 HydrophobicContact CD2-CB 4.49Å; F169-L187 HydrophobicContact CE1-CB 4.11Å; F169-L187 HydrophobicContact CE1-CD2 3.56Å; F169-L187 HydrophobicContact CE1-CG 4.37Å; F169-L187 HydrophobicContact CE2-CB 4.09Å; F169-L187 HydrophobicContact CE2-CD2 4.36Å; F169-L187 HydrophobicContact CZ-CB 3.89Å; F169-L187 HydrophobicContact CZ-CD2 3.41Å; F169-L187 VanDerWaalsContact CZ-CD2 3.41Å; F169-L187 HydrophobicContact CZ-CG 4.28Å; F169-L187 PolarHBondContact N-O 3.24Å; F169-L187 PolarHBondContact O-N 3.44Å; F171-L187 HydrophobicContact CE1-CB 4.41Å; L187-P190 HydrophobicContact CD2-CB 4.3Å; L187-P190 HydrophobicContact CD2-CG 4.19Å
188A88.7Confident86.7Confident27 Ų2738.2 Ų38.222%0.22323%0.227CC..SBendtrans-91.6-39.3176.100000111.7G25 N27 P168G25-A188 WeakPolarHBondContact O-CB 3.38Å; N27-A188 PolarHBondContact OD1-N 2.91Å; P168-A188 WeakPolarHBondContact CG-O 3.3Å
189S78.1Confident87Confident77 Ų7736.8 Ų36.854%0.53822%0.218SC..  trans-135.9127.5168.9-175.50000108.9N27N27-S189 PolarHBondContact ND2-O 2.96Å; N27-S189 PolarHBondContact OD1-N 2.85Å; N27-S189 PolarHBondContact OD1-O 3.35Å
190P63.8Low87.6Confident114 Ų11433.6 Ų33.674%0.7420%0.204SC*.  trans-61.20172.1-18.631.1000113.3P85 L187P85-P190 HydrophobicContact CB-CB 4.38Å; P85-P190 HydrophobicContact CB-CG 4.44Å; P85-P190 HydrophobicContact CG-CG 4.39Å; L187-P190 HydrophobicContact CD2-CB 4.3Å; L187-P190 HydrophobicContact CD2-CG 4.19Å

Retrieved 190 of 190 residues in 1173.1 ms (Link to these results)

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