A0A077ZR59_TRITR Loading...

dCMP cyt deam 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZR59, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M64.8Low91.4Very high148 Ų14836 Ų3673%0.72921%0.209SC*.  0135.60-162.7177.7-98.100108.6K148M1-K148 PolarHBondContact O-NZ 3.48Å
2E78.3Confident91.6Very high77 Ų7748.1 Ų48.136%0.3626%0.257SS..  trans-59154.9177.1-72.7171.1175.500112N22 R85 N145E2-N22 PolarHBondContact O-ND2 3.11Å; E2-R85 IonicContact OE2-CZ 3.32Å; E2-R85 IonicContact OE2-NH1 2.72Å; E2-R85 PolarHBondContact OE2-NH1 3.16Å; E2-N145 WeakPolarHBondContact CB-OD1 3.46Å
3A87.8Confident91.8Very high20 Ų2049.8 Ų49.817%0.16528%0.275CS..  trans-80125.517500000109.3M24A3-M24 HydrophobicContact CB-CE 4.37Å
4V93.2Very high92.1Very high9 Ų949.7 Ų49.76%0.05529%0.291CS..  trans-127.3123.7-179.9-170.10000109H21 N22 A33 V83 T84 R85V4-H21 CarbonylContact O-C 3.58Å; V4-H21 WeakPolarHBondContact O-CA 3.47Å; V4-H21 VanDerWaalsContact O-CB 3.28Å; V4-H21 WeakPolarHBondContact O-CB 3.4Å; V4-N22 HydrophobicContact CB-CB 4.21Å; V4-N22 PolarHBondContact N-OD1 2.97Å; V4-N22 PolarHBondContact O-N 3.42Å; V4-N22 PolarHBondContact O-OD1 2.93Å; V4-A33 HydrophobicContact CB-CB 4.15Å; V4-A33 HydrophobicContact CG1-CB 3.87Å; V4-A33 WeakPolarHBondContact O-CB 3.39Å; V4-V83 HydrophobicContact CG1-CG2 3.94Å; V4-T84 WeakPolarHBondContact CA-OG1 3.45Å; V4-R85 HydrophobicContact CG1-CG 4.09Å; V4-R85 HydrophobicContact CG2-CG 4.13Å
5G95.3Very high92.5Very high25 Ų2548.9 Ų48.926%0.25829%0.287SS..EExtended strand (participates in β ladder)trans-105.8146.9169.900000110.5S20 V83 T84G5-S20 WeakPolarHBondContact CA-O 3.17Å; G5-V83 WeakPolarHBondContact O-CA 3.35Å; G5-T84 PolarHBondContact N-OG1 3.08Å; G5-T84 PolarHBondContact O-N 3.23Å
6C98Very high92.8Very high2 Ų249.9 Ų49.91%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-143.7135.6176.6-173.80000110.4S20 A33 V34 A37 Y82 V83C6-S20 PolarHBondContact N-O 3.4Å; C6-S20 PolarHBondContact O-N 3.42Å; C6-S20 PolarHBondContact O-OG 2.93Å; C6-A33 HydrophobicContact CB-CB 3.64Å; C6-V34 HydrophobicContact CB-CG2 4.44Å; C6-A37 HydrophobicContact CB-CB 4.28Å; C6-Y82 CarbonylContact C-O 3.6Å; C6-Y82 WeakPolarHBondContact CA-O 3.15Å; C6-V83 HydrophobicContact CB-CB 4.46Å; C6-V83 HydrophobicContact CB-CG2 4.31Å
7V98.4Very high93Very high46 Ų4646.9 Ų46.928%0.27928%0.276SS..EExtended strand (participates in β ladder)trans-127.5143.8171.2-60.80000111.3V9 V16 A18 A19 C81 Y82V7-V9 HydrophobicContact CB-CG2 4.39Å; V7-V9 HydrophobicContact CG2-CG2 3.99Å; V7-V16 HydrophobicContact CB-CG1 4.07Å; V7-V16 HydrophobicContact CG1-CG1 4.18Å; V7-A18 CarbonylContact C-O 3.47Å; V7-A18 WeakPolarHBondContact CA-O 3.39Å; V7-A19 HydrophobicContact CG1-CB 3.82Å; V7-C81 WeakPolarHBondContact O-CA 3.31Å; V7-Y82 HydrophobicContact CG2-CD2 4.26Å; V7-Y82 HydrophobicContact CG2-CG 4.36Å; V7-Y82 PolarHBondContact N-O 3.23Å; V7-Y82 PolarHBondContact O-N 3.03Å
8I98.6Very high93.3Very high0 Ų044.3 Ų44.30%026%0.261CS..EExtended strand (participates in β ladder)trans-114.2128.1170.1-63.8173.9000108.2L17 A18 A37 I38 V41 F79 D80 C81I8-L17 PolarHBondContact O-N 3.4Å; I8-A18 HydrophobicContact CB-CB 4.32Å; I8-A18 PolarHBondContact N-O 3.28Å; I8-A18 PolarHBondContact O-N 3.04Å; I8-A37 HydrophobicContact CD1-CB 3.82Å; I8-A37 HydrophobicContact CG1-CB 4.04Å; I8-I38 HydrophobicContact CD1-CG1 4.13Å; I8-V41 HydrophobicContact CB-CG2 4.01Å; I8-V41 HydrophobicContact CD1-CG2 3.7Å; I8-V41 HydrophobicContact CG1-CG2 4.44Å; I8-V41 HydrophobicContact CG2-CG2 3.93Å; I8-F79 HydrophobicContact CG2-CB 3.64Å; I8-F79 HydrophobicContact CG2-CD2 4.22Å; I8-F79 HydrophobicContact CG2-CG 4.25Å; I8-D80 CarbonylContact C-O 3.56Å; I8-D80 WeakPolarHBondContact CA-O 3.25Å; I8-C81 HydrophobicContact CG1-CB 4.45Å
9V98.3Very high93.5Very high18 Ų1842.9 Ų42.911%0.10926%0.255CS..EExtended strand (participates in β ladder)trans-127.3139-165.9-173.90000109.9V7 P11 V15 V16 F79 D80 Y82V7-V9 HydrophobicContact CB-CG2 4.39Å; V7-V9 HydrophobicContact CG2-CG2 3.99Å; V9-P11 WeakPolarHBondContact O-CD 3.4Å; V9-V15 CarbonylContact C-O 3.44Å; V9-V15 WeakPolarHBondContact CA-O 3.48Å; V9-V15 WeakPolarHBondContact CG1-O 3.4Å; V9-V16 HydrophobicContact CG2-CG2 4.23Å; V9-F79 WeakPolarHBondContact O-CA 3.46Å; V9-D80 PolarHBondContact N-O 2.8Å; V9-D80 PolarHBondContact O-N 3.11Å; V9-Y82 HydrophobicContact CB-CE2 4.35Å; V9-Y82 HydrophobicContact CG2-CD2 4Å; V9-Y82 HydrophobicContact CG2-CE2 4.16Å
10E96.5Very high93.7Very high3 Ų341.2 Ų41.21%0.01425%0.245CC..  trans-79.1119.5164.5-161.5-70.2153.400109.1K12 S13 G14 V15 L65 R69 F79E10-K12 VanDerWaalsContact CD-N 3.32Å; E10-K12 PolarHBondContact O-N 3.3Å; E10-K12 WeakPolarHBondContact OE1-CB 3.5Å; E10-K12 WeakPolarHBondContact OE1-CG 3.36Å; E10-K12 PolarHBondContact OE1-N 3.34Å; E10-K12 WeakPolarHBondContact OE2-CA 3.49Å; E10-K12 PolarHBondContact OE2-N 3.5Å; E10-S13 WeakPolarHBondContact OE2-CB 3.42Å; E10-S13 PolarHBondContact OE2-N 3.03Å; E10-S13 PolarHBondContact OE2-OG 3.32Å; E10-G14 WeakPolarHBondContact O-CA 3.49Å; E10-G14 PolarHBondContact O-N 3.33Å; E10-V15 PolarHBondContact N-O 2.95Å; E10-L65 HydrophobicContact CB-CD1 4.16Å; E10-L65 HydrophobicContact CB-CD2 3.84Å; E10-L65 HydrophobicContact CG-CD1 4.01Å; E10-L65 HydrophobicContact CG-CD2 3.64Å; E10-R69 VanDerWaalsContact CG-NE 3.32Å; E10-R69 IonicContact OE1-CZ 3.11Å; E10-R69 IonicContact OE1-NE 3.18Å; E10-R69 PolarHBondContact OE1-NE 2.65Å; E10-R69 IonicContact OE1-NH1 3.87Å; E10-R69 IonicContact OE1-NH2 3.05Å; E10-R69 PolarHBondContact OE1-NH2 2.91Å; E10-F79 HydrophobicContact CB-CD1 4.15Å; E10-F79 HydrophobicContact CB-CE1 4.2Å; E10-F79 HydrophobicContact CG-CD1 4.02Å; E10-F79 HydrophobicContact CG-CE1 3.85Å
11P96.4Very high93.7Very high48 Ų4841.9 Ų41.931%0.31225%0.245SC..THydrogen-bonded Turntrans-76.7-19.5-166.329.7-38000115.6V9 G78 R101V9-P11 WeakPolarHBondContact O-CD 3.4Å; P11-G78 VanDerWaalsContact CD-O 3.32Å; P11-G78 WeakPolarHBondContact CD-O 3.49Å; P11-G78 WeakPolarHBondContact CG-O 3.48Å; P11-R101 VanDerWaalsContact CG-NH2 3.25Å
12K94Very high94.8Very high181 Ų18135.2 Ų35.279%0.78721%0.213SC*.THydrogen-bonded Turntrans-85-33.5-178.2-61-177.3175.9-173.10112.8E10E10-K12 VanDerWaalsContact CD-N 3.32Å; E10-K12 PolarHBondContact O-N 3.3Å; E10-K12 WeakPolarHBondContact OE1-CB 3.5Å; E10-K12 WeakPolarHBondContact OE1-CG 3.36Å; E10-K12 PolarHBondContact OE1-N 3.34Å; E10-K12 WeakPolarHBondContact OE2-CA 3.49Å; E10-K12 PolarHBondContact OE2-N 3.5Å
13S94.4Very high94.5Very high70 Ų7031.9 Ų31.949%0.4920%0.199SC..THydrogen-bonded Turntrans-104.4-21.6-175.5610000112.3E10 V15E10-S13 WeakPolarHBondContact OE2-CB 3.42Å; E10-S13 PolarHBondContact OE2-N 3.03Å; E10-S13 PolarHBondContact OE2-OG 3.32Å; S13-V15 PolarHBondContact O-N 3.14Å; S13-V15 WeakPolarHBondContact OG-CG2 3.36Å; S13-V15 PolarHBondContact OG-N 2.97Å
14G96Very high93.4Very high49 Ų4937.2 Ų37.251%0.50522%0.222SC..  trans766.8-174.700000113.9E10 V16E10-G14 WeakPolarHBondContact O-CA 3.49Å; E10-G14 PolarHBondContact O-N 3.33Å; G14-V16 PolarHBondContact O-N 2.88Å
15V96.9Very high91.9Very high37 Ų3743.6 Ų43.622%0.22426%0.261CS..  trans-63.9124.5178.1170.80000110V9 E10 S13 L17 A60V9-V15 CarbonylContact C-O 3.44Å; V9-V15 WeakPolarHBondContact CA-O 3.48Å; V9-V15 WeakPolarHBondContact CG1-O 3.4Å; E10-V15 PolarHBondContact N-O 2.95Å; S13-V15 PolarHBondContact O-N 3.14Å; S13-V15 WeakPolarHBondContact OG-CG2 3.36Å; S13-V15 PolarHBondContact OG-N 2.97Å; V15-L17 HydrophobicContact CG1-CD2 4.06Å; V15-L17 PolarHBondContact O-N 3.21Å; V15-A60 HydrophobicContact CG1-CB 3.99Å
16V98.1Very high90.5Very high65 Ų6544.5 Ų44.539%0.39426%0.264SS..EExtended strand (participates in β ladder)trans-82103.5171.1-178.60000108.6V7 V9 G14 A19 A60V7-V16 HydrophobicContact CB-CG1 4.07Å; V7-V16 HydrophobicContact CG1-CG1 4.18Å; V9-V16 HydrophobicContact CG2-CG2 4.23Å; G14-V16 PolarHBondContact O-N 2.88Å; V16-A19 HydrophobicContact CG1-CB 4.32Å; V16-A60 WeakPolarHBondContact O-CB 3.46Å
17L96.7Very high89.5Confident0 Ų050.4 Ų50.40%031%0.305CS..EExtended strand (participates in β ladder)trans-72.2-39-178.8-68.6174.5000112.8I8 V15 F44 I59 A60 L65 F79I8-L17 PolarHBondContact O-N 3.4Å; V15-L17 HydrophobicContact CG1-CD2 4.06Å; V15-L17 PolarHBondContact O-N 3.21Å; L17-F44 HydrophobicContact CD2-CD1 4.2Å; L17-F44 HydrophobicContact CD2-CD2 4.15Å; L17-F44 HydrophobicContact CD2-CE1 3.78Å; L17-F44 HydrophobicContact CD2-CE2 3.72Å; L17-F44 HydrophobicContact CD2-CG 4.38Å; L17-F44 HydrophobicContact CD2-CZ 3.52Å; L17-I59 WeakPolarHBondContact O-CA 3.36Å; L17-A60 HydrophobicContact CD2-CB 4Å; L17-A60 PolarHBondContact O-N 3.49Å; L17-L65 HydrophobicContact CD1-CD1 3.98Å; L17-L65 HydrophobicContact CD2-CD1 3.65Å; L17-L65 HydrophobicContact CD2-CG 4.05Å; L17-L65 HydrophobicContact CG-CD1 4.31Å; L17-F79 HydrophobicContact CD1-CD1 3.78Å; L17-F79 HydrophobicContact CD1-CD2 3.57Å; L17-F79 HydrophobicContact CD1-CE1 3.58Å; L17-F79 HydrophobicContact CD1-CE2 3.38Å; L17-F79 HydrophobicContact CD1-CG 3.8Å; L17-F79 HydrophobicContact CD1-CZ 3.39Å
18A97.8Very high88.9Confident0 Ų051.4 Ų51.40%031%0.309CS..EExtended strand (participates in β ladder)trans-140133.2-17900000109.3V7 I8 A37 I40 V41 S58V7-A18 CarbonylContact C-O 3.47Å; V7-A18 WeakPolarHBondContact CA-O 3.39Å; I8-A18 HydrophobicContact CB-CB 4.32Å; I8-A18 PolarHBondContact N-O 3.28Å; I8-A18 PolarHBondContact O-N 3.04Å; A18-A37 HydrophobicContact CB-CB 4.34Å; A18-A37 WeakPolarHBondContact CB-O 3.5Å; A18-I40 HydrophobicContact CB-CB 3.65Å; A18-I40 HydrophobicContact CB-CD1 4.3Å; A18-I40 HydrophobicContact CB-CG2 3.49Å; A18-I40 VanDerWaalsContact CB-CG2 3.49Å; A18-V41 HydrophobicContact CB-CG2 3.91Å; A18-S58 WeakPolarHBondContact CA-O 3.33Å
19A97.7Very high88.2Confident18 Ų1861.4 Ų61.415%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-124.7136162.600000109.4V7 V16 I40 F57 S58V7-A19 HydrophobicContact CG1-CB 3.82Å; V16-A19 HydrophobicContact CG1-CB 4.32Å; A19-I40 VanDerWaalsContact O-CD1 3.29Å; A19-I40 WeakPolarHBondContact O-CD1 3.46Å; A19-F57 CarbonylContact O-C 3.57Å; A19-F57 VanDerWaalsContact O-CA 3.27Å; A19-F57 WeakPolarHBondContact O-CA 3.49Å; A19-S58 VanDerWaalsContact CB-OG 3.27Å; A19-S58 WeakPolarHBondContact CB-OG 3.24Å; A19-S58 PolarHBondContact N-O 3.39Å; A19-S58 PolarHBondContact O-N 3.46Å
20S95.9Very high87.8Confident7 Ų765.5 Ų65.55%0.04937%0.367CS..EExtended strand (participates in β ladder)trans-153.9165.5-176.664.50000111.6G5 C6 A33 A37G5-S20 WeakPolarHBondContact CA-O 3.17Å; C6-S20 PolarHBondContact N-O 3.4Å; C6-S20 PolarHBondContact O-N 3.42Å; C6-S20 PolarHBondContact O-OG 2.93Å; S20-A33 PolarHBondContact OG-O 3.19Å; S20-A37 WeakPolarHBondContact OG-CB 3.44Å; S20-A37 PolarHBondContact OG-N 3.46Å
21H93.8Very high87.5Confident57 Ų5766.3 Ų66.326%0.26437%0.371SS..EExtended strand (participates in β ladder)trans-140.5164.6170.860.288.4000110.6V4 G23 P55 F57V4-H21 CarbonylContact O-C 3.58Å; V4-H21 WeakPolarHBondContact O-CA 3.47Å; V4-H21 VanDerWaalsContact O-CB 3.28Å; V4-H21 WeakPolarHBondContact O-CB 3.4Å; H21-G23 PolarHBondContact ND1-N 2.99Å; H21-G23 PolarHBondContact O-N 2.87Å; H21-P55 PolarHBondContact NE2-O 3.49Å; H21-F57 AromaticContact CD2-CD2 3.61Å; H21-F57 AromaticContact CD2-CE2 3.5Å; H21-F57 VanDerWaalsContact CD2-CE2 3.5Å; H21-F57 WeakPolarHBondContact CD2-CE2 3.35Å; H21-F57 AromaticContact CE1-CE2 3.78Å; H21-F57 AromaticContact CG-CE2 3.83Å; H21-F57 AromaticContact ND1-CE2 3.99Å; H21-F57 AromaticContact NE2-CD2 3.54Å; H21-F57 AromaticContact NE2-CE2 3.46Å; H21-F57 WeakPolarHBondContact NE2-CE2 3.36Å; H21-F57 VanDerWaalsContact O-CE2 3.28Å; H21-F57 WeakPolarHBondContact O-CE2 3.32Å; H21-F57 WeakPolarHBondContact O-CZ 3.5Å
22N87.9Confident87.3Confident7 Ų765.6 Ų65.64%0.03736%0.363CS..  trans-7422.4-175.567.7-33.5000115.2E2 V4 K31 A33E2-N22 PolarHBondContact O-ND2 3.11Å; V4-N22 HydrophobicContact CB-CB 4.21Å; V4-N22 PolarHBondContact N-OD1 2.97Å; V4-N22 PolarHBondContact O-N 3.42Å; V4-N22 PolarHBondContact O-OD1 2.93Å; N22-K31 WeakPolarHBondContact CA-O 3.04Å; N22-A33 HydrophobicContact CB-CB 4.41Å
23G73.8Confident87.4Confident8 Ų857 Ų578%0.08233%0.326CS..  trans3888176.500000113.8H21 T25 S26H21-G23 PolarHBondContact ND1-N 2.99Å; H21-G23 PolarHBondContact O-N 2.87Å; G23-T25 PolarHBondContact O-N 3.15Å; G23-S26 PolarHBondContact O-N 2.96Å; G23-S26 PolarHBondContact O-OG 3.29Å
24M63.5Low87.5Confident132 Ų13253.9 Ų53.965%0.6530%0.304SS*.THydrogen-bonded Turntrans-51.5-23.7-174.3-72.3154.9137.900114.5A3 K148A3-M24 HydrophobicContact CB-CE 4.37Å; M24-K148 HydrophobicContact CE-CD 4.3Å
25T61.5Low87.6Confident142 Ų14253 Ų5387%0.87129%0.287SS*.THydrogen-bonded Turntrans-1105.6-177.9540000113.9G23 S27G23-T25 PolarHBondContact O-N 3.15Å; T25-S27 PolarHBondContact O-N 2.94Å
26S66.6Low87.5Confident44 Ų4451.2 Ų51.231%0.30828%0.277SS..  trans-69.7129.3-176.474.40000111.1G23 N28G23-S26 PolarHBondContact O-N 2.96Å; G23-S26 PolarHBondContact O-OG 3.29Å; S26-N28 PolarHBondContact O-N 3.26Å; S26-N28 PolarHBondContact OG-O 3.24Å
27S76.9Confident87.5Confident126 Ų12648.1 Ų48.188%0.88126%0.258SS*.SBendtrans-66-22.9173.455.20000112T25 R29T25-S27 PolarHBondContact O-N 2.94Å; S27-R29 PolarHBondContact O-N 3.36Å
28N85.2Confident87.5Confident67 Ų6749 Ų4936%0.35826%0.263SS..  trans-85.7104.3-179.4-170.4-22000111.9S26 L30 K31 F51S26-N28 PolarHBondContact O-N 3.26Å; S26-N28 PolarHBondContact OG-O 3.24Å; N28-L30 PolarHBondContact O-N 3.38Å; N28-L30 VanDerWaalsContact O-N 3.1Å; N28-L30 WeakPolarHBondContact OD1-CB 3.34Å; N28-L30 PolarHBondContact OD1-N 3.15Å; N28-K31 HydrophobicContact CB-CB 4.36Å; N28-K31 WeakPolarHBondContact O-CB 3.43Å; N28-K31 PolarHBondContact O-N 3.37Å; N28-F51 WeakPolarHBondContact ND2-CE1 3.47Å
29R85.3Confident87.4Confident211 Ų21149.3 Ų49.380%0.79626%0.264SS*.THydrogen-bonded Turntrans-64.3-13.7179.2-66.6-138.3-81.3-103.45.2114.9S27S27-R29 PolarHBondContact O-N 3.36Å
30L89.1Confident87.3Confident103 Ų10348.5 Ų48.554%0.53926%0.257SS..THydrogen-bonded Turntrans-87.3-8.2175.6-56-179.2000113N28 H32 M90N28-L30 PolarHBondContact O-N 3.38Å; N28-L30 VanDerWaalsContact O-N 3.1Å; N28-L30 WeakPolarHBondContact OD1-CB 3.34Å; N28-L30 PolarHBondContact OD1-N 3.15Å; L30-H32 PolarHBondContact O-N 2.93Å; L30-M90 HydrophobicContact CD2-SD 3.82Å
31K89.4Confident87.4Confident21 Ų2148.2 Ų48.29%0.09126%0.255CS..  trans-76.558.4-179.1-163.1176.2-175.1168.40112.2N22 N28 A36 F51 D52N22-K31 WeakPolarHBondContact CA-O 3.04Å; N28-K31 HydrophobicContact CB-CB 4.36Å; N28-K31 WeakPolarHBondContact O-CB 3.43Å; N28-K31 PolarHBondContact O-N 3.37Å; K31-A36 HydrophobicContact CG-CB 4.44Å; K31-F51 HydrophobicContact CB-CD1 4.26Å; K31-F51 HydrophobicContact CB-CE1 4.13Å; K31-F51 HydrophobicContact CD-CB 4.12Å; K31-F51 HydrophobicContact CD-CD1 4.1Å; K31-F51 HydrophobicContact CD-CG 4.08Å; K31-F51 HydrophobicContact CG-CD1 4.02Å; K31-F51 HydrophobicContact CG-CD2 4.35Å; K31-F51 HydrophobicContact CG-CE1 4.27Å; K31-F51 HydrophobicContact CG-CG 4.05Å; K31-D52 PolarHBondContact NZ-O 2.85Å
32H93.6Very high87.4Confident32 Ų3246 Ų4615%0.14825%0.247CC..  trans-70.3149.5168.8-71.7-173.7000110.3L30 V34 I35 A36 M90 C91L30-H32 PolarHBondContact O-N 2.93Å; H32-V34 VanDerWaalsContact C-N 3.29Å; H32-V34 PolarHBondContact O-N 3.01Å; H32-I35 HydrophobicContact CB-CG1 4.11Å; H32-I35 PolarHBondContact O-N 3.1Å; H32-A36 WeakPolarHBondContact O-CB 3.36Å; H32-A36 PolarHBondContact O-N 3.1Å; H32-M90 HydrophobicContact CB-CE 4.14Å; H32-M90 WeakPolarHBondContact ND1-CE 2.92Å; H32-C91 VanDerWaalsContact CB-SG 3.57Å; H32-C91 PolarHBondContact ND1-SG 3.42Å
33A95Very high87.7Confident1 Ų147.2 Ų47.21%0.00825%0.253CS..Hα-helixtrans-52.2-45.5-179.700000112.5V4 C6 S20 N22 I35 A36 A37V4-A33 HydrophobicContact CB-CB 4.15Å; V4-A33 HydrophobicContact CG1-CB 3.87Å; V4-A33 WeakPolarHBondContact O-CB 3.39Å; C6-A33 HydrophobicContact CB-CB 3.64Å; S20-A33 PolarHBondContact OG-O 3.19Å; N22-A33 HydrophobicContact CB-CB 4.41Å; A33-I35 PolarHBondContact O-N 3.21Å; A33-A36 PolarHBondContact O-N 3.15Å; A33-A37 WeakPolarHBondContact O-CB 3.25Å; A33-A37 PolarHBondContact O-N 3.05Å
34V97.7Very high88.6Confident4 Ų447.1 Ų47.12%0.02425%0.25CC..Hα-helixtrans-61.7-43.7178.3175.20000112.6C6 H32 A36 A37 I38 V83 P87 C91 L95C6-V34 HydrophobicContact CB-CG2 4.44Å; H32-V34 VanDerWaalsContact C-N 3.29Å; H32-V34 PolarHBondContact O-N 3.01Å; V34-A36 VanDerWaalsContact C-N 3.31Å; V34-A36 PolarHBondContact O-N 3.44Å; V34-A37 PolarHBondContact O-N 3.18Å; V34-I38 HydrophobicContact CG1-CD1 4.13Å; V34-I38 WeakPolarHBondContact O-CG1 3.3Å; V34-I38 PolarHBondContact O-N 3.33Å; V34-V83 HydrophobicContact CG2-CB 4.36Å; V34-V83 HydrophobicContact CG2-CG2 3.87Å; V34-P87 HydrophobicContact CG2-CG 4.43Å; V34-C91 HydrophobicContact CB-CB 3.82Å; V34-C91 HydrophobicContact CG1-CB 3.92Å; V34-C91 HydrophobicContact CG2-CB 4.1Å; V34-L95 HydrophobicContact CG1-CD1 3.7Å; V34-L95 HydrophobicContact CG1-CD2 3.94Å; V34-L95 HydrophobicContact CG1-CG 3.58Å
35I96.5Very high90Very high30 Ų3043.1 Ų43.115%0.15423%0.23CC..Hα-helixtrans-65.1-41.8179.7-57-58.4000109.9H32 A33 I38 D39 F51 M90 A94H32-I35 HydrophobicContact CB-CG1 4.11Å; H32-I35 PolarHBondContact O-N 3.1Å; A33-I35 PolarHBondContact O-N 3.21Å; I35-I38 PolarHBondContact O-N 3.28Å; I35-D39 PolarHBondContact O-N 3.26Å; I35-F51 HydrophobicContact CG2-CE2 3.82Å; I35-F51 HydrophobicContact CG2-CZ 3.87Å; I35-M90 HydrophobicContact CD1-CE 4.48Å; I35-M90 HydrophobicContact CD1-CG 4.38Å; I35-M90 HydrophobicContact CG1-CE 3.86Å; I35-A94 HydrophobicContact CD1-CB 3.33Å
36A95.3Very high91.4Very high1 Ų139.4 Ų39.41%0.00822%0.219CC..Hα-helixtrans-66.8-37.4177.200000112.3K31 H32 A33 V34 D39 I40 F51 F57K31-A36 HydrophobicContact CG-CB 4.44Å; H32-A36 WeakPolarHBondContact O-CB 3.36Å; H32-A36 PolarHBondContact O-N 3.1Å; A33-A36 PolarHBondContact O-N 3.15Å; V34-A36 VanDerWaalsContact C-N 3.31Å; V34-A36 PolarHBondContact O-N 3.44Å; A36-D39 WeakPolarHBondContact O-CB 3.48Å; A36-D39 PolarHBondContact O-N 3.34Å; A36-I40 VanDerWaalsContact O-CG1 3.25Å; A36-I40 WeakPolarHBondContact O-CG1 3.46Å; A36-I40 PolarHBondContact O-N 2.83Å; A36-F51 HydrophobicContact CB-CD2 4.47Å; A36-F57 HydrophobicContact CB-CE1 3.67Å; A36-F57 HydrophobicContact CB-CZ 4.03Å
37A97.7Very high92.6Very high0 Ų039.7 Ų39.70%022%0.224CC..Hα-helixtrans-62.6-42.6173.100000112C6 I8 A18 S20 A33 V34 D39 I40 V41C6-A37 HydrophobicContact CB-CB 4.28Å; I8-A37 HydrophobicContact CD1-CB 3.82Å; I8-A37 HydrophobicContact CG1-CB 4.04Å; A18-A37 HydrophobicContact CB-CB 4.34Å; A18-A37 WeakPolarHBondContact CB-O 3.5Å; S20-A37 WeakPolarHBondContact OG-CB 3.44Å; S20-A37 PolarHBondContact OG-N 3.46Å; A33-A37 WeakPolarHBondContact O-CB 3.25Å; A33-A37 PolarHBondContact O-N 3.05Å; V34-A37 PolarHBondContact O-N 3.18Å; A37-D39 VanDerWaalsContact C-N 3.33Å; A37-I40 PolarHBondContact O-N 3.21Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 2.85Å
38I97.6Very high93.4Very high19 Ų1941.1 Ų41.110%0.09722%0.221CC..Hα-helixtrans-64.5-39.8176.3-67.3168.6000110.8I8 V34 I35 V41 A42 L75 A94 L95I8-I38 HydrophobicContact CD1-CG1 4.13Å; V34-I38 HydrophobicContact CG1-CD1 4.13Å; V34-I38 WeakPolarHBondContact O-CG1 3.3Å; V34-I38 PolarHBondContact O-N 3.33Å; I35-I38 PolarHBondContact O-N 3.28Å; I38-V41 PolarHBondContact O-N 2.93Å; I38-A42 PolarHBondContact O-N 3.24Å; I38-L75 HydrophobicContact CG2-CD1 3.83Å; I38-A94 HydrophobicContact CD1-CB 3.79Å; I38-L95 HydrophobicContact CD1-CD2 4.2Å; I38-L95 HydrophobicContact CD1-CG 4.34Å
39D95.9Very high93.7Very high6 Ų641.3 Ų41.33%0.03223%0.226CC..Hα-helixtrans-60.7-44.2174.4-178.547.1000111.9I35 A36 A37 V41 A42 Q43 L50 F51I35-D39 PolarHBondContact O-N 3.26Å; A36-D39 WeakPolarHBondContact O-CB 3.48Å; A36-D39 PolarHBondContact O-N 3.34Å; A37-D39 VanDerWaalsContact C-N 3.33Å; D39-V41 VanDerWaalsContact C-N 3.3Å; D39-V41 PolarHBondContact O-N 3.33Å; D39-A42 WeakPolarHBondContact O-CA 3.43Å; D39-A42 VanDerWaalsContact O-CB 3.3Å; D39-A42 WeakPolarHBondContact O-CB 3.3Å; D39-A42 PolarHBondContact O-N 3.47Å; D39-Q43 WeakPolarHBondContact O-CG 3.38Å; D39-Q43 PolarHBondContact O-N 2.87Å; D39-Q43 PolarHBondContact OD2-NE2 3.47Å; D39-Q43 VanDerWaalsContact OD2-NE2 3.11Å; D39-L50 HydrophobicContact CB-CB 4.47Å; D39-L50 VanDerWaalsContact OD1-CB 3.3Å; D39-L50 WeakPolarHBondContact OD1-CB 3.41Å; D39-L50 WeakPolarHBondContact OD1-CG 3.18Å; D39-L50 PolarHBondContact OD1-N 3.09Å; D39-L50 PolarHBondContact OD2-N 2.64Å; D39-F51 HydrophobicContact CB-CD2 4.07Å; D39-F51 HydrophobicContact CB-CE2 4.24Å; D39-F51 PolarHBondContact OD2-N 3.39Å; D39-F51 VanDerWaalsContact OD2-N 3.11Å
40I96.1Very high93.9Very high1 Ų137.7 Ų37.71%0.00522%0.222CC..Hα-helixtrans-61.7-39.2174.4-64.9164.9000111.4A18 A19 A36 A37 A42 Q43 F44 L53 F57 I59A18-I40 HydrophobicContact CB-CB 3.65Å; A18-I40 HydrophobicContact CB-CD1 4.3Å; A18-I40 HydrophobicContact CB-CG2 3.49Å; A18-I40 VanDerWaalsContact CB-CG2 3.49Å; A19-I40 VanDerWaalsContact O-CD1 3.29Å; A19-I40 WeakPolarHBondContact O-CD1 3.46Å; A36-I40 VanDerWaalsContact O-CG1 3.25Å; A36-I40 WeakPolarHBondContact O-CG1 3.46Å; A36-I40 PolarHBondContact O-N 2.83Å; A37-I40 PolarHBondContact O-N 3.21Å; I40-A42 VanDerWaalsContact C-N 3.3Å; I40-A42 PolarHBondContact O-N 3.06Å; I40-Q43 WeakPolarHBondContact O-CB 3.37Å; I40-Q43 PolarHBondContact O-N 3.29Å; I40-F44 PolarHBondContact O-N 3.2Å; I40-L53 HydrophobicContact CD1-CD2 4.17Å; I40-L53 HydrophobicContact CG1-CD2 3.72Å; I40-F57 HydrophobicContact CD1-CB 4.39Å; I40-F57 HydrophobicContact CD1-CD1 3.72Å; I40-F57 HydrophobicContact CD1-CE1 4.45Å; I40-F57 HydrophobicContact CD1-CG 4.4Å; I40-F57 HydrophobicContact CG1-CD1 4.48Å; I40-I59 HydrophobicContact CG2-CB 3.65Å; I40-I59 HydrophobicContact CG2-CD1 4.09Å; I40-I59 HydrophobicContact CG2-CG1 3.7Å
41V96.2Very high93.7Very high0 Ų034 Ų340%020%0.202CC..Hα-helixtrans-64.5-36.8174174.40000111I8 A18 A37 I38 D39 F44 H45 L75 F79I8-V41 HydrophobicContact CB-CG2 4.01Å; I8-V41 HydrophobicContact CD1-CG2 3.7Å; I8-V41 HydrophobicContact CG1-CG2 4.44Å; I8-V41 HydrophobicContact CG2-CG2 3.93Å; A18-V41 HydrophobicContact CB-CG2 3.91Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 2.85Å; I38-V41 PolarHBondContact O-N 2.93Å; D39-V41 VanDerWaalsContact C-N 3.3Å; D39-V41 PolarHBondContact O-N 3.33Å; V41-F44 WeakPolarHBondContact O-CB 3.17Å; V41-F44 PolarHBondContact O-N 3Å; V41-H45 WeakPolarHBondContact CG1-NE2 3.42Å; V41-H45 PolarHBondContact O-CD2 2.96Å; V41-H45 PolarHBondContact O-N 3.32Å; V41-H45 VanDerWaalsContact O-N 3.15Å; V41-L75 HydrophobicContact CG1-CB 4.13Å; V41-L75 WeakPolarHBondContact CG1-O 3.42Å; V41-F79 HydrophobicContact CG1-CE2 4.4Å
42A95Very high93.4Very high12 Ų1239.6 Ų39.610%0.09923%0.233CC..Hα-helixtrans-61.4-44.9172.600000111.6I38 D39 I40 F44 H45 G46 A47 L75I38-A42 PolarHBondContact O-N 3.24Å; D39-A42 WeakPolarHBondContact O-CA 3.43Å; D39-A42 VanDerWaalsContact O-CB 3.3Å; D39-A42 WeakPolarHBondContact O-CB 3.3Å; D39-A42 PolarHBondContact O-N 3.47Å; I40-A42 VanDerWaalsContact C-N 3.3Å; I40-A42 PolarHBondContact O-N 3.06Å; A42-F44 VanDerWaalsContact C-N 3.3Å; A42-F44 PolarHBondContact O-N 3.39Å; A42-H45 CarbonylContact O-C 3.05Å; A42-H45 WeakPolarHBondContact O-CA 3.4Å; A42-H45 PolarHBondContact O-N 3.26Å; A42-H45 VanDerWaalsContact O-N 3.11Å; A42-G46 PolarHBondContact O-N 2.96Å; A42-A47 HydrophobicContact CB-CB 3.84Å; A42-A47 VanDerWaalsContact O-CB 3.25Å; A42-A47 WeakPolarHBondContact O-CB 3.38Å; A42-A47 PolarHBondContact O-N 3.19Å; A42-L75 HydrophobicContact CB-CD1 3.87Å; A42-L75 HydrophobicContact CB-CD2 4.05Å
43Q93.5Very high92.7Very high32 Ų3241.9 Ų41.915%0.1525%0.245CC..Hα-helixtrans-61.3-38174.9-66.3173.254.100112D39 I40 H45 G46 A47 P49 I59D39-Q43 WeakPolarHBondContact O-CG 3.38Å; D39-Q43 PolarHBondContact O-N 2.87Å; D39-Q43 PolarHBondContact OD2-NE2 3.47Å; D39-Q43 VanDerWaalsContact OD2-NE2 3.11Å; I40-Q43 WeakPolarHBondContact O-CB 3.37Å; I40-Q43 PolarHBondContact O-N 3.29Å; Q43-H45 PolarHBondContact O-N 2.91Å; Q43-G46 WeakPolarHBondContact O-CA 3.37Å; Q43-G46 PolarHBondContact O-N 2.94Å; Q43-A47 WeakPolarHBondContact CA-O 3.47Å; Q43-P49 HydrophobicContact CG-CB 4.18Å; Q43-I59 HydrophobicContact CB-CD1 3.78Å
44F93.2Very high92Very high6 Ų643.8 Ų43.83%0.02626%0.258CS..Hα-helixtrans-61-33.7175.5178.8-94.6000112.2L17 I40 V41 A42 G46 I59 A60 P61 L65 R70L17-F44 HydrophobicContact CD2-CD1 4.2Å; L17-F44 HydrophobicContact CD2-CD2 4.15Å; L17-F44 HydrophobicContact CD2-CE1 3.78Å; L17-F44 HydrophobicContact CD2-CE2 3.72Å; L17-F44 HydrophobicContact CD2-CG 4.38Å; L17-F44 HydrophobicContact CD2-CZ 3.52Å; I40-F44 PolarHBondContact O-N 3.2Å; V41-F44 WeakPolarHBondContact O-CB 3.17Å; V41-F44 PolarHBondContact O-N 3Å; A42-F44 VanDerWaalsContact C-N 3.3Å; A42-F44 PolarHBondContact O-N 3.39Å; F44-G46 VanDerWaalsContact C-N 3.27Å; F44-I59 HydrophobicContact CB-CD1 4.11Å; F44-I59 HydrophobicContact CB-CG1 4.23Å; F44-I59 HydrophobicContact CD2-CG1 4.42Å; F44-A60 HydrophobicContact CD2-CB 4.23Å; F44-A60 WeakPolarHBondContact CD2-O 3.2Å; F44-A60 HydrophobicContact CE2-CB 3.93Å; F44-P61 WeakPolarHBondContact CE2-O 3.44Å; F44-L65 HydrophobicContact CE1-CD1 4.24Å; F44-L65 HydrophobicContact CZ-CB 4.3Å; F44-L65 HydrophobicContact CZ-CD1 4.3Å; F44-L65 HydrophobicContact CZ-CG 4.29Å; F44-R70 HydrophobicContact CE1-CG 3.92Å; F44-R70 HydrophobicContact CZ-CG 4.42Å; F44-R70 PolarHBondContact O-NH2 2.96Å
45H92.3Very high91.4Very high48 Ų4849.4 Ų49.422%0.22229%0.294CS..THydrogen-bonded Turntrans-83.51.9173-60.7-52.6000113.7V41 A42 Q43 R70 L75V41-H45 WeakPolarHBondContact CG1-NE2 3.42Å; V41-H45 PolarHBondContact O-CD2 2.96Å; V41-H45 PolarHBondContact O-N 3.32Å; V41-H45 VanDerWaalsContact O-N 3.15Å; A42-H45 CarbonylContact O-C 3.05Å; A42-H45 WeakPolarHBondContact O-CA 3.4Å; A42-H45 PolarHBondContact O-N 3.26Å; A42-H45 VanDerWaalsContact O-N 3.11Å; Q43-H45 PolarHBondContact O-N 2.91Å; H45-R70 PolarHBondContact ND1-O 3.38Å; H45-L75 PolarHBondContact NE2-O 3.32Å
46G90.9Very high91Very high64 Ų6450.9 Ų50.966%0.6632%0.317SS*.THydrogen-bonded Turntrans96.112.1174.900000115.5A42 Q43 F44A42-G46 PolarHBondContact O-N 2.96Å; Q43-G46 WeakPolarHBondContact O-CA 3.37Å; Q43-G46 PolarHBondContact O-N 2.94Å; F44-G46 VanDerWaalsContact C-N 3.27Å
47A92.1Very high91Very high50 Ų5052.2 Ų52.241%0.41332%0.323SS..PPolyproline II helixtrans-74.6159.8173.300000112A42 Q43A42-A47 HydrophobicContact CB-CB 3.84Å; A42-A47 VanDerWaalsContact O-CB 3.25Å; A42-A47 WeakPolarHBondContact O-CB 3.38Å; A42-A47 PolarHBondContact O-N 3.19Å; Q43-A47 WeakPolarHBondContact CA-O 3.47Å
48L92.9Very high90.8Very high155 Ų15555 Ų5581%0.81234%0.342SS*.PPolyproline II helixtrans-73.6147.2169.2-67175.4000110.6
49P91.5Very high90.8Very high72 Ų7257.4 Ų57.447%0.46835%0.354SS..PPolyproline II helixtrans-65.7137.3179.725.8-34000112.3Q43 F51Q43-P49 HydrophobicContact CG-CB 4.18Å; P49-F51 WeakPolarHBondContact CB-O 3.29Å
50L90Very high90.8Very high135 Ų13557.6 Ų57.671%0.70736%0.357SS*.SBendtrans-80.9-29.9164.4-64.5176.7000112D39D39-L50 HydrophobicContact CB-CB 4.47Å; D39-L50 VanDerWaalsContact OD1-CB 3.3Å; D39-L50 WeakPolarHBondContact OD1-CB 3.41Å; D39-L50 WeakPolarHBondContact OD1-CG 3.18Å; D39-L50 PolarHBondContact OD1-N 3.09Å; D39-L50 PolarHBondContact OD2-N 2.64Å
51F85.5Confident90.7Very high26 Ų2661.7 Ų61.711%0.11438%0.383CS..SBendtrans-129.3149.3175.2-43.3-77.3000111.3N28 K31 I35 A36 D39 P49N28-F51 WeakPolarHBondContact ND2-CE1 3.47Å; K31-F51 HydrophobicContact CB-CD1 4.26Å; K31-F51 HydrophobicContact CB-CE1 4.13Å; K31-F51 HydrophobicContact CD-CB 4.12Å; K31-F51 HydrophobicContact CD-CD1 4.1Å; K31-F51 HydrophobicContact CD-CG 4.08Å; K31-F51 HydrophobicContact CG-CD1 4.02Å; K31-F51 HydrophobicContact CG-CD2 4.35Å; K31-F51 HydrophobicContact CG-CE1 4.27Å; K31-F51 HydrophobicContact CG-CG 4.05Å; I35-F51 HydrophobicContact CG2-CE2 3.82Å; I35-F51 HydrophobicContact CG2-CZ 3.87Å; A36-F51 HydrophobicContact CB-CD2 4.47Å; D39-F51 HydrophobicContact CB-CD2 4.07Å; D39-F51 HydrophobicContact CB-CE2 4.24Å; D39-F51 PolarHBondContact OD2-N 3.39Å; D39-F51 VanDerWaalsContact OD2-N 3.11Å; P49-F51 WeakPolarHBondContact CB-O 3.29Å
52D83.1Confident90.3Very high138 Ų13863 Ų6374%0.73839%0.394SS*.  trans-56.8147.1165.3-56.5-42.9000110.3K31 P54K31-D52 PolarHBondContact NZ-O 2.85Å; D52-P54 WeakPolarHBondContact O-CD 3.15Å
53L79.5Confident90.2Very high79 Ų7970 Ų7041%0.41443%0.425SS..  trans-8793.1173.4-65.6172.8000109.4I40 F57I40-L53 HydrophobicContact CD1-CD2 4.17Å; I40-L53 HydrophobicContact CG1-CD2 3.72Å; L53-F57 HydrophobicContact CD2-CB 4.14Å; L53-F57 HydrophobicContact CD2-CD1 3.95Å
54P80.1Confident90.1Very high41 Ų4170 Ų7027%0.26643%0.429SS..  trans-72168.8175.335.2-39.7000110.3D52 G56 F57D52-P54 WeakPolarHBondContact O-CD 3.15Å; P54-G56 PolarHBondContact O-N 2.98Å; P54-F57 HydrophobicContact CG-CD1 4.41Å; P54-F57 HydrophobicContact CG-CD2 3.52Å; P54-F57 HydrophobicContact CG-CE1 4.28Å; P54-F57 HydrophobicContact CG-CE2 3.4Å; P54-F57 VanDerWaalsContact CG-CE2 3.4Å; P54-F57 HydrophobicContact CG-CG 4.07Å; P54-F57 HydrophobicContact CG-CZ 3.82Å; P54-F57 WeakPolarHBondContact O-CB 3.47Å; P54-F57 PolarHBondContact O-N 3.01Å
55P85.4Confident90.1Very high123 Ų12370.2 Ų70.280%0.79943%0.43SS*.THydrogen-bonded Turntrans-50140.4170.7-26.634.8000112H21H21-P55 PolarHBondContact NE2-O 3.49Å
56G88.2Confident89.9Confident61 Ų6171.5 Ų71.563%0.62944%0.443SS*.THydrogen-bonded Turntrans90.9-5.2-177.500000114.7P54P54-G56 PolarHBondContact O-N 2.98Å
57F93.4Very high89.6Confident28 Ų2873 Ų7312%0.12344%0.435CS..  trans-92148.1170-74.6-139.9000109.8A19 H21 A36 I40 L53 P54A19-F57 CarbonylContact O-C 3.57Å; A19-F57 VanDerWaalsContact O-CA 3.27Å; A19-F57 WeakPolarHBondContact O-CA 3.49Å; H21-F57 AromaticContact CD2-CD2 3.61Å; H21-F57 AromaticContact CD2-CE2 3.5Å; H21-F57 VanDerWaalsContact CD2-CE2 3.5Å; H21-F57 WeakPolarHBondContact CD2-CE2 3.35Å; H21-F57 AromaticContact CE1-CE2 3.78Å; H21-F57 AromaticContact CG-CE2 3.83Å; H21-F57 AromaticContact ND1-CE2 3.99Å; H21-F57 AromaticContact NE2-CD2 3.54Å; H21-F57 AromaticContact NE2-CE2 3.46Å; H21-F57 WeakPolarHBondContact NE2-CE2 3.36Å; H21-F57 VanDerWaalsContact O-CE2 3.28Å; H21-F57 WeakPolarHBondContact O-CE2 3.32Å; H21-F57 WeakPolarHBondContact O-CZ 3.5Å; A36-F57 HydrophobicContact CB-CE1 3.67Å; A36-F57 HydrophobicContact CB-CZ 4.03Å; I40-F57 HydrophobicContact CD1-CB 4.39Å; I40-F57 HydrophobicContact CD1-CD1 3.72Å; I40-F57 HydrophobicContact CD1-CE1 4.45Å; I40-F57 HydrophobicContact CD1-CG 4.4Å; I40-F57 HydrophobicContact CG1-CD1 4.48Å; L53-F57 HydrophobicContact CD2-CB 4.14Å; L53-F57 HydrophobicContact CD2-CD1 3.95Å; P54-F57 HydrophobicContact CG-CD1 4.41Å; P54-F57 HydrophobicContact CG-CD2 3.52Å; P54-F57 HydrophobicContact CG-CE1 4.28Å; P54-F57 HydrophobicContact CG-CE2 3.4Å; P54-F57 VanDerWaalsContact CG-CE2 3.4Å; P54-F57 HydrophobicContact CG-CG 4.07Å; P54-F57 HydrophobicContact CG-CZ 3.82Å; P54-F57 WeakPolarHBondContact O-CB 3.47Å; P54-F57 PolarHBondContact O-N 3.01Å
58S95.4Very high89.3Confident58 Ų5877.4 Ų77.441%0.40645%0.447SS..EExtended strand (participates in β ladder)trans-144.7148.4172.169.10000112A18 A19A18-S58 WeakPolarHBondContact CA-O 3.33Å; A19-S58 VanDerWaalsContact CB-OG 3.27Å; A19-S58 WeakPolarHBondContact CB-OG 3.24Å; A19-S58 PolarHBondContact N-O 3.39Å; A19-S58 PolarHBondContact O-N 3.46Å
59I95.8Very high88.8Confident70 Ų7072.3 Ų72.336%0.35942%0.417SS..EExtended strand (participates in β ladder)trans-122.1135.8174.8-172.2169.8000108L17 I40 Q43 F44L17-I59 WeakPolarHBondContact O-CA 3.36Å; I40-I59 HydrophobicContact CG2-CB 3.65Å; I40-I59 HydrophobicContact CG2-CD1 4.09Å; I40-I59 HydrophobicContact CG2-CG1 3.7Å; Q43-I59 HydrophobicContact CB-CD1 3.78Å; F44-I59 HydrophobicContact CB-CD1 4.11Å; F44-I59 HydrophobicContact CB-CG1 4.23Å; F44-I59 HydrophobicContact CD2-CG1 4.42Å
60A95.8Very high88.2Confident11 Ų1172.2 Ų72.29%0.09141%0.408CS..  trans-66.8149.9174.300000111.4V15 V16 L17 F44 S64V15-A60 HydrophobicContact CG1-CB 3.99Å; V16-A60 WeakPolarHBondContact O-CB 3.46Å; L17-A60 HydrophobicContact CD2-CB 4Å; L17-A60 PolarHBondContact O-N 3.49Å; F44-A60 HydrophobicContact CD2-CB 4.23Å; F44-A60 WeakPolarHBondContact CD2-O 3.2Å; F44-A60 HydrophobicContact CE2-CB 3.93Å; A60-S64 WeakPolarHBondContact CB-OG 3.37Å
61P94.2Very high87.6Confident86 Ų8675 Ų7556%0.55841%0.409SS*.  trans-64146.8171.627.9-32.8000110F44 E63 S64F44-P61 WeakPolarHBondContact CE2-O 3.44Å; P61-E63 PolarHBondContact O-N 3.41Å; P61-E63 VanDerWaalsContact O-N 3.09Å; P61-S64 WeakPolarHBondContact O-CB 3.5Å; P61-S64 PolarHBondContact O-N 2.92Å; P61-S64 PolarHBondContact O-OG 3.45Å
62A88.7Confident87.3Confident28 Ų2877.1 Ų77.123%0.23142%0.419CS..G310 helixtrans-62.3-25.1-169.800000113S64 R70A62-S64 VanDerWaalsContact C-N 3.32Å; A62-R70 WeakPolarHBondContact O-CD 3.4Å; A62-R70 PolarHBondContact O-NH1 3.08Å
63E92.2Very high87.5Confident158 Ų15880.6 Ų80.674%0.73843%0.428SS*.G310 helixtrans-85.2-6.6-179.5-53.769.3-145.700112.4P61 L65P61-E63 PolarHBondContact O-N 3.41Å; P61-E63 VanDerWaalsContact O-N 3.09Å; E63-L65 PolarHBondContact O-N 2.94Å
64S92.8Very high88.3Confident34 Ų3482 Ų8224%0.23843%0.428CS..G310 helixtrans-63.4-20.8179.6610000113.6A60 P61 A62A60-S64 WeakPolarHBondContact CB-OG 3.37Å; P61-S64 WeakPolarHBondContact O-CB 3.5Å; P61-S64 PolarHBondContact O-N 2.92Å; P61-S64 PolarHBondContact O-OG 3.45Å; A62-S64 VanDerWaalsContact C-N 3.32Å
65L91.6Very high89Confident10 Ų1082.8 Ų82.85%0.05243%0.43CS..SBendtrans-126.7146.2175-66.8-173.3000111.9E10 L17 F44 E63 R69 F79E10-L65 HydrophobicContact CB-CD1 4.16Å; E10-L65 HydrophobicContact CB-CD2 3.84Å; E10-L65 HydrophobicContact CG-CD1 4.01Å; E10-L65 HydrophobicContact CG-CD2 3.64Å; L17-L65 HydrophobicContact CD1-CD1 3.98Å; L17-L65 HydrophobicContact CD2-CD1 3.65Å; L17-L65 HydrophobicContact CD2-CG 4.05Å; L17-L65 HydrophobicContact CG-CD1 4.31Å; F44-L65 HydrophobicContact CE1-CD1 4.24Å; F44-L65 HydrophobicContact CZ-CB 4.3Å; F44-L65 HydrophobicContact CZ-CD1 4.3Å; F44-L65 HydrophobicContact CZ-CG 4.29Å; E63-L65 PolarHBondContact O-N 2.94Å; L65-R69 HydrophobicContact CB-CB 4.26Å; L65-R69 HydrophobicContact CD1-CB 4.2Å; L65-F79 HydrophobicContact CD1-CE1 3.83Å; L65-F79 HydrophobicContact CD1-CZ 3.91Å
66P88.7Confident89.6Confident75 Ų7577 Ų7749%0.48739%0.392SS..  trans-55148.9169.2-23.633.5000112.2E68 R69P66-E68 WeakPolarHBondContact CB-OE2 3.29Å; P66-E68 PolarHBondContact O-N 2.93Å; P66-E68 VanDerWaalsContact O-N 3.14Å; P66-R69 PolarHBondContact O-N 2.74Å
67L85.2Confident89.9Confident95 Ų9576.1 Ų76.150%0.49738%0.375SS..Hα-helixtrans-57.1-33-175.4-176.663.7000112.8R69 R70 R71L67-R69 PolarHBondContact O-N 2.67Å; L67-R70 WeakPolarHBondContact O-CB 3.25Å; L67-R70 PolarHBondContact O-N 3.42Å; L67-R71 PolarHBondContact O-N 3.15Å
68E84.8Confident90Very high142 Ų14276 Ų7666%0.66438%0.381SS*.Hα-helixtrans-63-32.2178.9-54.781.8-176.500111.9P66 R70P66-E68 WeakPolarHBondContact CB-OE2 3.29Å; P66-E68 PolarHBondContact O-N 2.93Å; P66-E68 VanDerWaalsContact O-N 3.14Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 2.86Å
69R83.5Confident90.1Very high49 Ų4973.2 Ų73.219%0.18536%0.362CS..Hα-helixtrans-79-11.7176.5-60.7-164.565.971.8-0.7113.1E10 L65 P66 L67 H72 G78E10-R69 VanDerWaalsContact CG-NE 3.32Å; E10-R69 IonicContact OE1-CZ 3.11Å; E10-R69 IonicContact OE1-NE 3.18Å; E10-R69 PolarHBondContact OE1-NE 2.65Å; E10-R69 IonicContact OE1-NH1 3.87Å; E10-R69 IonicContact OE1-NH2 3.05Å; E10-R69 PolarHBondContact OE1-NH2 2.91Å; L65-R69 HydrophobicContact CB-CB 4.26Å; L65-R69 HydrophobicContact CD1-CB 4.2Å; P66-R69 PolarHBondContact O-N 2.74Å; L67-R69 PolarHBondContact O-N 2.67Å; R69-H72 PolarHBondContact O-CD2 2.96Å; R69-G78 PolarHBondContact NH2-O 3.36Å
70R77.8Confident90.2Very high70 Ų7069.9 Ų69.926%0.26435%0.345SS..Hα-helixtrans-92.2-15.7176.3-59.8-174.663.2-170.6-4.9112.9F44 H45 A62 L67 E68F44-R70 HydrophobicContact CE1-CG 3.92Å; F44-R70 HydrophobicContact CZ-CG 4.42Å; F44-R70 PolarHBondContact O-NH2 2.96Å; H45-R70 PolarHBondContact ND1-O 3.38Å; A62-R70 WeakPolarHBondContact O-CD 3.4Å; A62-R70 PolarHBondContact O-NH1 3.08Å; L67-R70 WeakPolarHBondContact O-CB 3.25Å; L67-R70 PolarHBondContact O-N 3.42Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 2.86Å
71R77.6Confident90.4Very high194 Ų19469.4 Ų69.473%0.73234%0.34SS*.  trans-10559-174.9-70.7-173.5170.3-179-1.4112.4L67L67-R71 PolarHBondContact O-N 3.15Å
72H80.1Confident90.6Very high69 Ų6969.5 Ų69.532%0.31933%0.33SS..  trans-101.8143.1171.1-66.6-53.8000110.9R69 Y74R69-H72 PolarHBondContact O-CD2 2.96Å; H72-Y74 WeakPolarHBondContact CB-O 3.42Å; H72-Y74 PolarHBondContact O-N 2.7Å
73F87.6Confident91Very high212 Ų21268.5 Ų68.593%0.9332%0.321SS*.SBendtrans-61.8-28172.9-70-74.7000112.4
74Y94.9Very high91.3Very high107 Ų10762.1 Ų62.142%0.4229%0.293SS..SBendtrans-119.1138177.5-56.2-89.4000110.8H72 C76 T77 H97 R99H72-Y74 WeakPolarHBondContact CB-O 3.42Å; H72-Y74 PolarHBondContact O-N 2.7Å; Y74-C76 VanDerWaalsContact C-N 3.34Å; Y74-C76 PolarHBondContact O-N 2.81Å; Y74-T77 PolarHBondContact O-N 2.74Å; Y74-T77 PolarHBondContact O-OG1 2.72Å; Y74-H97 WeakPolarHBondContact CD1-O 3.45Å; Y74-R99 HydrophobicContact CD1-CG 3.51Å; Y74-R99 HydrophobicContact CD2-CG 3.55Å; Y74-R99 HydrophobicContact CE1-CG 4.07Å; Y74-R99 HydrophobicContact CE2-CG 4.12Å; Y74-R99 HydrophobicContact CG-CB 4.14Å; Y74-R99 HydrophobicContact CG-CG 3.2Å; Y74-R99 PolarHBondContact OH-NH2 3.08Å; Y74-R99 VanDerWaalsContact OH-NH2 3.08Å
75L95.5Very high91.4Very high59 Ų5962.6 Ų62.631%0.30929%0.29SS..THydrogen-bonded Turntrans-55.5-41.2-167.2-60.1178.7000114.5I38 V41 A42 H45I38-L75 HydrophobicContact CG2-CD1 3.83Å; V41-L75 HydrophobicContact CG1-CB 4.13Å; V41-L75 WeakPolarHBondContact CG1-O 3.42Å; A42-L75 HydrophobicContact CB-CD1 3.87Å; A42-L75 HydrophobicContact CB-CD2 4.05Å; H45-L75 PolarHBondContact NE2-O 3.32Å
76C97.2Very high91.7Very high0 Ų062.1 Ų62.10%029%0.287CS..THydrogen-bonded Turntrans-109.715.7-168.5-58.50000113.7Y74 G78 F79 S98 R99 I100Y74-C76 VanDerWaalsContact C-N 3.34Å; Y74-C76 PolarHBondContact O-N 2.81Å; C76-G78 PolarHBondContact O-N 3.47Å; C76-G78 VanDerWaalsContact O-N 3.15Å; C76-F79 PolarHBondContact O-N 3.29Å; C76-F79 VanDerWaalsContact O-N 3.1Å; C76-S98 WeakPolarHBondContact CA-O 3.5Å; C76-S98 WeakPolarHBondContact CB-O 3.33Å; C76-S98 PolarHBondContact N-O 3.38Å; C76-S98 PolarHBondContact SG-OG 2.75Å; C76-S98 VanDerWaalsContact SG-OG 3.38Å; C76-R99 CarbonylContact C-O 3.48Å; C76-I100 HydrophobicContact CB-CB 4.36Å; C76-I100 HydrophobicContact CB-CD1 3.76Å
77T95.8Very high92.2Very high44 Ų4458.8 Ų58.827%0.2727%0.266SS..BIsolated β-bridgetrans-57.4119.5-179.3-540000110.5Y74 F79 R99Y74-T77 PolarHBondContact O-N 2.74Å; Y74-T77 PolarHBondContact O-OG1 2.72Å; T77-F79 VanDerWaalsContact C-N 3.3Å; T77-F79 PolarHBondContact O-N 2.9Å; T77-R99 WeakPolarHBondContact CA-O 3.42Å
78G95Very high92.7Very high24 Ų2455.2 Ų55.225%0.24725%0.248CC..THydrogen-bonded Turntrans79.45.9176.600000115.4P11 R69 C76P11-G78 VanDerWaalsContact CD-O 3.32Å; P11-G78 WeakPolarHBondContact CD-O 3.49Å; P11-G78 WeakPolarHBondContact CG-O 3.48Å; R69-G78 PolarHBondContact NH2-O 3.36Å; C76-G78 PolarHBondContact O-N 3.47Å; C76-G78 VanDerWaalsContact O-N 3.15Å
79F97.5Very high93.3Very high0 Ų051.6 Ų51.60%024%0.237CC..  trans-101.5154.8175.1-55.7-36.2000112.2I8 V9 E10 L17 V41 L65 C76 T77 I100 R101I8-F79 HydrophobicContact CG2-CB 3.64Å; I8-F79 HydrophobicContact CG2-CD2 4.22Å; I8-F79 HydrophobicContact CG2-CG 4.25Å; V9-F79 WeakPolarHBondContact O-CA 3.46Å; E10-F79 HydrophobicContact CB-CD1 4.15Å; E10-F79 HydrophobicContact CB-CE1 4.2Å; E10-F79 HydrophobicContact CG-CD1 4.02Å; E10-F79 HydrophobicContact CG-CE1 3.85Å; L17-F79 HydrophobicContact CD1-CD1 3.78Å; L17-F79 HydrophobicContact CD1-CD2 3.57Å; L17-F79 HydrophobicContact CD1-CE1 3.58Å; L17-F79 HydrophobicContact CD1-CE2 3.38Å; L17-F79 HydrophobicContact CD1-CG 3.8Å; L17-F79 HydrophobicContact CD1-CZ 3.39Å; V41-F79 HydrophobicContact CG1-CE2 4.4Å; L65-F79 HydrophobicContact CD1-CE1 3.83Å; L65-F79 HydrophobicContact CD1-CZ 3.91Å; C76-F79 PolarHBondContact O-N 3.29Å; C76-F79 VanDerWaalsContact O-N 3.1Å; T77-F79 VanDerWaalsContact C-N 3.3Å; T77-F79 PolarHBondContact O-N 2.9Å; F79-I100 HydrophobicContact CB-CD1 4.42Å; F79-I100 WeakPolarHBondContact O-CD1 3.47Å; F79-R101 WeakPolarHBondContact O-CB 3.15Å; F79-R101 PolarHBondContact O-N 3.11Å
80D98.7Very high93.9Very high1 Ų152.5 Ų52.51%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-105.2141.5177.1-70.80.4000110.4I8 V9 Y82 R101 R102 F104I8-D80 CarbonylContact C-O 3.56Å; I8-D80 WeakPolarHBondContact CA-O 3.25Å; V9-D80 PolarHBondContact N-O 2.8Å; V9-D80 PolarHBondContact O-N 3.11Å; D80-Y82 HydrophobicContact CB-CE2 3.97Å; D80-R101 IonicContact OD1-CZ 3.09Å; D80-R101 IonicContact OD1-NE 2.74Å; D80-R101 PolarHBondContact OD1-NE 2.96Å; D80-R101 IonicContact OD1-NH2 2.81Å; D80-R101 PolarHBondContact OD1-NH2 2.88Å; D80-R101 IonicContact OD2-CZ 3.68Å; D80-R101 IonicContact OD2-NH2 2.7Å; D80-R101 PolarHBondContact OD2-NH2 2.87Å; D80-R102 WeakPolarHBondContact CA-O 3.35Å; D80-R102 IonicContact OD1-NE 2.73Å; D80-R102 PolarHBondContact OD1-NE 2.94Å; D80-R102 IonicContact OD2-CZ 3.08Å; D80-R102 VanDerWaalsContact OD2-CZ 3.32Å; D80-R102 IonicContact OD2-NE 3.83Å; D80-R102 PolarHBondContact OD2-NE 3.48Å; D80-R102 VanDerWaalsContact OD2-NE 3.08Å; D80-R102 IonicContact OD2-NH2 3.47Å; D80-R102 PolarHBondContact OD2-NH2 3.28Å; D80-F104 HydrophobicContact CB-CD2 4.5Å; D80-F104 HydrophobicContact CB-CE2 4.12Å
81C98.8Very high94.8Very high0 Ų049.4 Ų49.40%023%0.233CC..EExtended strand (participates in β ladder)trans-108.5131.9176.3177.80000109.8V7 I8 L95 I100 R102 V103 F104V7-C81 WeakPolarHBondContact O-CA 3.31Å; I8-C81 HydrophobicContact CG1-CB 4.45Å; C81-L95 HydrophobicContact CB-CD2 4.06Å; C81-I100 HydrophobicContact CB-CD1 3.82Å; C81-I100 HydrophobicContact CB-CG1 3.88Å; C81-R102 PolarHBondContact N-O 3.32Å; C81-V103 HydrophobicContact CB-CG1 4.3Å; C81-V103 HydrophobicContact CB-CG2 4.18Å; C81-V103 CarbonylContact O-C 3.56Å; C81-V103 WeakPolarHBondContact O-CA 3.44Å; C81-F104 PolarHBondContact O-N 3.13Å
82Y98.7Very high95.8Very high89 Ų8940.2 Ų40.235%0.34920%0.199SC..EExtended strand (participates in β ladder)trans-117.5128.8169.9-61-104000108.9C6 V7 V9 D80 F104C6-Y82 CarbonylContact C-O 3.6Å; C6-Y82 WeakPolarHBondContact CA-O 3.15Å; V7-Y82 HydrophobicContact CG2-CD2 4.26Å; V7-Y82 HydrophobicContact CG2-CG 4.36Å; V7-Y82 PolarHBondContact N-O 3.23Å; V7-Y82 PolarHBondContact O-N 3.03Å; V9-Y82 HydrophobicContact CB-CE2 4.35Å; V9-Y82 HydrophobicContact CG2-CD2 4Å; V9-Y82 HydrophobicContact CG2-CE2 4.16Å; D80-Y82 HydrophobicContact CB-CE2 3.97Å; Y82-F104 CarbonylContact C-O 3.47Å; Y82-F104 WeakPolarHBondContact CA-O 3.44Å; Y82-F104 HydrophobicContact CD1-CB 3.41Å; Y82-F104 VanDerWaalsContact CD1-CB 3.41Å; Y82-F104 AromaticContact CD1-CD2 3.97Å; Y82-F104 HydrophobicContact CD1-CD2 3.97Å; Y82-F104 AromaticContact CD1-CG 3.79Å; Y82-F104 HydrophobicContact CD1-CG 3.79Å; Y82-F104 HydrophobicContact CD2-CD2 4.4Å; Y82-F104 HydrophobicContact CE1-CB 3.68Å; Y82-F104 HydrophobicContact CE1-CD1 4.1Å; Y82-F104 AromaticContact CE1-CD2 3.54Å; Y82-F104 HydrophobicContact CE1-CD2 3.54Å; Y82-F104 HydrophobicContact CE1-CE2 4.21Å; Y82-F104 AromaticContact CE1-CG 3.49Å; Y82-F104 HydrophobicContact CE1-CG 3.49Å; Y82-F104 VanDerWaalsContact CE1-CG 3.49Å; Y82-F104 HydrophobicContact CE2-CD2 4.02Å; Y82-F104 HydrophobicContact CE2-CE2 4.43Å; Y82-F104 HydrophobicContact CG-CB 4.06Å; Y82-F104 HydrophobicContact CG-CD2 4.36Å; Y82-F104 AromaticContact CZ-CD2 3.56Å; Y82-F104 AromaticContact CZ-CE2 3.89Å
83V98.2Very high96.7Very high7 Ų739.7 Ų39.74%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-140.3138.1-175.558.10000110.8V4 G5 C6 V34 R85 P87 V103 F104 Y105 G106V4-V83 HydrophobicContact CG1-CG2 3.94Å; G5-V83 WeakPolarHBondContact O-CA 3.35Å; C6-V83 HydrophobicContact CB-CB 4.46Å; C6-V83 HydrophobicContact CB-CG2 4.31Å; V34-V83 HydrophobicContact CG2-CB 4.36Å; V34-V83 HydrophobicContact CG2-CG2 3.87Å; V83-R85 WeakPolarHBondContact CG1-O 3.46Å; V83-R85 WeakPolarHBondContact CG2-O 3.44Å; V83-R85 PolarHBondContact O-N 3.31Å; V83-R85 VanDerWaalsContact O-N 3.12Å; V83-P87 HydrophobicContact CG1-CG 3.82Å; V83-V103 HydrophobicContact CG1-CG1 4.21Å; V83-F104 PolarHBondContact N-O 3.31Å; V83-Y105 WeakPolarHBondContact O-CA 3.38Å; V83-Y105 WeakPolarHBondContact O-CB 3.47Å; V83-G106 PolarHBondContact O-N 2.82Å; V83-G106 VanDerWaalsContact O-N 3.17Å
84T97Very high97.2Very high24 Ų2430.9 Ų30.915%0.14717%0.167CC..EExtended strand (participates in β ladder)trans-67.2-19.8-170.657.80000113.8V4 G5 H107 C141 L144V4-T84 WeakPolarHBondContact CA-OG1 3.45Å; G5-T84 PolarHBondContact N-OG1 3.08Å; G5-T84 PolarHBondContact O-N 3.23Å; T84-H107 PolarHBondContact O-N 2.93Å; T84-H107 PolarHBondContact O-ND1 2.97Å; T84-C141 VanDerWaalsContact O-CB 3.25Å; T84-C141 WeakPolarHBondContact O-CB 3.43Å; T84-L144 HydrophobicContact CG2-CD1 3.61Å
85R95.7Very high97.3Very high44 Ų4425.8 Ų25.817%0.16615%0.147CC..EExtended strand (participates in β ladder)trans-140.5159.1177.779.4179.7-166.3170.70.9111.6E2 V4 V83 P87 H107 T109E2-R85 IonicContact OE2-CZ 3.32Å; E2-R85 IonicContact OE2-NH1 2.72Å; E2-R85 PolarHBondContact OE2-NH1 3.16Å; V4-R85 HydrophobicContact CG1-CG 4.09Å; V4-R85 HydrophobicContact CG2-CG 4.13Å; V83-R85 WeakPolarHBondContact CG1-O 3.46Å; V83-R85 WeakPolarHBondContact CG2-O 3.44Å; V83-R85 PolarHBondContact O-N 3.31Å; V83-R85 VanDerWaalsContact O-N 3.12Å; R85-P87 WeakPolarHBondContact O-CD 3.34Å; R85-H107 WeakPolarHBondContact CA-O 3.36Å; R85-H107 WeakPolarHBondContact CB-CE1 3.02Å; R85-T109 HydrophobicContact CB-CG2 3.71Å; R85-T109 HydrophobicContact CG-CG2 3.9Å
86E97.9Very high97.5Very high0 Ų023.5 Ų23.50%014%0.135CC..PPolyproline II helixtrans-53.6124.7176.2-167.9-176.4168.200111.6C88 Y105 H107 C108 T109 G112 A113 F114 G115 S116E86-C88 PolarHBondContact O-N 2.83Å; E86-Y105 HydrophobicContact CB-CD2 3.82Å; E86-Y105 HydrophobicContact CB-CE2 3.69Å; E86-Y105 HydrophobicContact CB-CG 4.36Å; E86-Y105 HydrophobicContact CG-CD2 4.42Å; E86-Y105 HydrophobicContact CG-CE1 4.24Å; E86-Y105 HydrophobicContact CG-CE2 4.02Å; E86-H107 PolarHBondContact N-O 3.25Å; E86-C108 WeakPolarHBondContact OE2-CA 3.32Å; E86-T109 HydrophobicContact CB-CG2 4.29Å; E86-T109 PolarHBondContact OE2-N 2.91Å; E86-G112 WeakPolarHBondContact OE1-CA 3.4Å; E86-A113 PolarHBondContact OE1-N 3.04Å; E86-F114 HydrophobicContact CG-CB 4.26Å; E86-F114 PolarHBondContact OE1-N 2.87Å; E86-G115 PolarHBondContact OE1-N 3.06Å; E86-S116 PolarHBondContact OE1-N 3.42Å; E86-S116 VanDerWaalsContact OE2-CB 3.32Å; E86-S116 WeakPolarHBondContact OE2-CB 3.44Å; E86-S116 PolarHBondContact OE2-OG 2.86Å
87P98Very high97.5Very high5 Ų529.6 Ų29.63%0.03216%0.163CC..PPolyproline II helixtrans-57.2135.7175.4-32.841.9000113V34 V83 R85 C91 A92 L95 G112 A113 F114V34-P87 HydrophobicContact CG2-CG 4.43Å; V83-P87 HydrophobicContact CG1-CG 3.82Å; R85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-C91 HydrophobicContact CB-CB 3.74Å; P87-A92 HydrophobicContact CB-CB 4.48Å; P87-L95 HydrophobicContact CG-CD1 4.2Å; P87-G112 WeakPolarHBondContact O-CA 3.37Å; P87-A113 PolarHBondContact O-N 3.31Å; P87-F114 HydrophobicContact CB-CD2 4.39Å; P87-F114 HydrophobicContact CB-CE2 3.92Å; P87-F114 HydrophobicContact CB-CZ 4.27Å; P87-F114 HydrophobicContact CG-CD2 4.03Å; P87-F114 HydrophobicContact CG-CE2 3.54Å; P87-F114 HydrophobicContact CG-CZ 4.29Å
88C96.4Very high97.5Very high20 Ų2027.9 Ų27.914%0.13515%0.153CC..PPolyproline II helixtrans-70.5170.1169.774.80000111.2E86 M90 C91 A92 N111E86-C88 PolarHBondContact O-N 2.83Å; C88-M90 VanDerWaalsContact C-N 3.27Å; C88-M90 PolarHBondContact O-N 3.49Å; C88-M90 VanDerWaalsContact O-N 3.16Å; C88-C91 PolarHBondContact O-N 2.91Å; C88-A92 WeakPolarHBondContact O-CB 3.43Å; C88-A92 PolarHBondContact O-N 3.34Å; C88-N111 WeakPolarHBondContact CA-O 3.43Å
89P97Very high97.6Very high66 Ų6629.2 Ų29.243%0.42915%0.15SC..Hα-helixtrans-51.9-41.4-178.6-30.135.1000114.3A92 V93 N111 A113 L120P89-A92 PolarHBondContact O-N 3.3Å; P89-V93 WeakPolarHBondContact O-CB 3.1Å; P89-V93 VanDerWaalsContact O-CG2 3.29Å; P89-V93 WeakPolarHBondContact O-CG2 3.5Å; P89-V93 PolarHBondContact O-N 2.87Å; P89-N111 VanDerWaalsContact CD-O 3.31Å; P89-N111 WeakPolarHBondContact CD-O 3.37Å; P89-A113 HydrophobicContact CB-CB 4.35Å; P89-A113 HydrophobicContact CG-CB 4.02Å; P89-L120 HydrophobicContact CB-CD1 4.35Å
90M96.7Very high97.7Very high67 Ų6729.2 Ų29.233%0.3315%0.15SC..Hα-helixtrans-60.8-50.3176.9-179.3-178.978.200112.1L30 H32 I35 C88 A92 V93 A94L30-M90 HydrophobicContact CD2-SD 3.82Å; H32-M90 HydrophobicContact CB-CE 4.14Å; H32-M90 WeakPolarHBondContact ND1-CE 2.92Å; I35-M90 HydrophobicContact CD1-CE 4.48Å; I35-M90 HydrophobicContact CD1-CG 4.38Å; I35-M90 HydrophobicContact CG1-CE 3.86Å; C88-M90 VanDerWaalsContact C-N 3.27Å; C88-M90 PolarHBondContact O-N 3.49Å; C88-M90 VanDerWaalsContact O-N 3.16Å; M90-A92 VanDerWaalsContact C-N 3.34Å; M90-A92 PolarHBondContact O-N 2.88Å; M90-V93 PolarHBondContact O-N 2.88Å; M90-A94 WeakPolarHBondContact O-CB 3.45Å; M90-A94 PolarHBondContact O-N 3.34Å
91C97.7Very high97.6Very high5 Ų533.4 Ų33.43%0.03417%0.166CC..Hα-helixtrans-65.9-38.5179.6-65.50000111.9H32 V34 P87 C88 A94 L95H32-C91 VanDerWaalsContact CB-SG 3.57Å; H32-C91 PolarHBondContact ND1-SG 3.42Å; V34-C91 HydrophobicContact CB-CB 3.82Å; V34-C91 HydrophobicContact CG1-CB 3.92Å; V34-C91 HydrophobicContact CG2-CB 4.1Å; P87-C91 HydrophobicContact CB-CB 3.74Å; C88-C91 PolarHBondContact O-N 2.91Å; C91-A94 PolarHBondContact O-N 3.02Å; C91-L95 WeakPolarHBondContact O-CG 3.42Å; C91-L95 PolarHBondContact O-N 2.82Å
92A98.2Very high97.6Very high1 Ų136.7 Ų36.71%0.00818%0.178CC..Hα-helixtrans-63.2-46177.300000112P87 C88 P89 M90 A94 L95 L96 A113 F114 L120P87-A92 HydrophobicContact CB-CB 4.48Å; C88-A92 WeakPolarHBondContact O-CB 3.43Å; C88-A92 PolarHBondContact O-N 3.34Å; P89-A92 PolarHBondContact O-N 3.3Å; M90-A92 VanDerWaalsContact C-N 3.34Å; M90-A92 PolarHBondContact O-N 2.88Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A92-L95 PolarHBondContact O-N 3.2Å; A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 2.84Å; A92-A113 HydrophobicContact CB-CB 3.8Å; A92-F114 HydrophobicContact CB-CD1 4.12Å; A92-F114 HydrophobicContact CB-CE1 3.41Å; A92-F114 VanDerWaalsContact CB-CE1 3.41Å; A92-F114 HydrophobicContact CB-CZ 3.81Å; A92-L120 HydrophobicContact CB-CB 4.45Å; A92-L120 HydrophobicContact CB-CD1 3.94Å
93V97.5Very high97.6Very high59 Ų5932.4 Ų32.436%0.35816%0.162SC..Hα-helixtrans-65.9-37.9175.9171.40000111.3P89 M90 L96 H97 L120P89-V93 WeakPolarHBondContact O-CB 3.1Å; P89-V93 VanDerWaalsContact O-CG2 3.29Å; P89-V93 WeakPolarHBondContact O-CG2 3.5Å; P89-V93 PolarHBondContact O-N 2.87Å; M90-V93 PolarHBondContact O-N 2.88Å; V93-L96 WeakPolarHBondContact O-CB 3.28Å; V93-L96 PolarHBondContact O-N 2.85Å; V93-H97 VanDerWaalsContact CG1-CD2 3.49Å; V93-H97 WeakPolarHBondContact CG1-CD2 3.46Å; V93-H97 PolarHBondContact O-CD2 3.1Å; V93-H97 VanDerWaalsContact O-CD2 3.29Å; V93-H97 PolarHBondContact O-N 2.8Å; V93-L120 HydrophobicContact CG2-CD1 3.92Å
94A98.1Very high97.7Very high26 Ų2633.1 Ų33.122%0.21516%0.164CC..Hα-helixtrans-61.6-45.1175.400000112.2I35 I38 M90 C91 A92 L96 H97 S98I35-A94 HydrophobicContact CD1-CB 3.33Å; I38-A94 HydrophobicContact CD1-CB 3.79Å; M90-A94 WeakPolarHBondContact O-CB 3.45Å; M90-A94 PolarHBondContact O-N 3.34Å; C91-A94 PolarHBondContact O-N 3.02Å; A92-A94 VanDerWaalsContact C-N 3.35Å; A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 2.86Å; A94-H97 PolarHBondContact O-N 3.4Å; A94-S98 WeakPolarHBondContact O-CB 3.41Å; A94-S98 PolarHBondContact O-N 3.04Å; A94-S98 PolarHBondContact O-OG 3.05Å
95L98.6Very high97.7Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-62.2-37.6175-76.4166.3000112.6V34 I38 C81 P87 C91 A92 S98 R99 I100 V103 F114 F130V34-L95 HydrophobicContact CG1-CD1 3.7Å; V34-L95 HydrophobicContact CG1-CD2 3.94Å; V34-L95 HydrophobicContact CG1-CG 3.58Å; I38-L95 HydrophobicContact CD1-CD2 4.2Å; I38-L95 HydrophobicContact CD1-CG 4.34Å; C81-L95 HydrophobicContact CB-CD2 4.06Å; P87-L95 HydrophobicContact CG-CD1 4.2Å; C91-L95 WeakPolarHBondContact O-CG 3.42Å; C91-L95 PolarHBondContact O-N 2.82Å; A92-L95 PolarHBondContact O-N 3.2Å; L95-S98 PolarHBondContact O-OG 3.22Å; L95-R99 PolarHBondContact O-N 2.89Å; L95-I100 HydrophobicContact CB-CB 4.42Å; L95-I100 HydrophobicContact CB-CG2 3.9Å; L95-I100 HydrophobicContact CD2-CB 3.99Å; L95-I100 HydrophobicContact CD2-CD1 4.31Å; L95-I100 HydrophobicContact CD2-CG1 4.01Å; L95-I100 HydrophobicContact CD2-CG2 4.19Å; L95-I100 WeakPolarHBondContact O-CG2 3.27Å; L95-I100 PolarHBondContact O-N 2.9Å; L95-I100 VanDerWaalsContact O-N 3.1Å; L95-V103 HydrophobicContact CD1-CG1 4.48Å; L95-V103 HydrophobicContact CD1-CG2 3.99Å; L95-F114 HydrophobicContact CD1-CE2 4.3Å; L95-F114 HydrophobicContact CD1-CZ 4.08Å; L95-F130 HydrophobicContact CB-CZ 4.45Å
96L98.1Very high97.8Very high11 Ų1130.1 Ų30.16%0.05815%0.151CC..Hα-helixtrans-63.5-49.6175.5-177.9156.4000111.5A92 V93 A94 R99 V126 H128 F130A92-L96 WeakPolarHBondContact O-CB 3.27Å; A92-L96 PolarHBondContact O-N 2.84Å; V93-L96 WeakPolarHBondContact O-CB 3.28Å; V93-L96 PolarHBondContact O-N 2.85Å; A94-L96 VanDerWaalsContact C-N 3.31Å; A94-L96 PolarHBondContact O-N 2.86Å; L96-R99 PolarHBondContact O-N 3.38Å; L96-V126 HydrophobicContact CD1-CB 3.86Å; L96-V126 HydrophobicContact CD1-CG1 3.86Å; L96-V126 HydrophobicContact CD1-CG2 3.81Å; L96-V126 HydrophobicContact CD2-CB 4.38Å; L96-H128 HydrophobicContact CG-CB 4.38Å; L96-F130 HydrophobicContact CB-CE1 4.18Å
97H97.1Very high97.7Very high128 Ų12830.6 Ų30.659%0.59315%0.153SC*.Hα-helixtrans-71.3-29.3-179.6-78.8-70.9000113.3Y74 V93 A94 R99Y74-H97 WeakPolarHBondContact CD1-O 3.45Å; V93-H97 VanDerWaalsContact CG1-CD2 3.49Å; V93-H97 WeakPolarHBondContact CG1-CD2 3.46Å; V93-H97 PolarHBondContact O-CD2 3.1Å; V93-H97 VanDerWaalsContact O-CD2 3.29Å; V93-H97 PolarHBondContact O-N 2.8Å; A94-H97 PolarHBondContact O-N 3.4Å; H97-R99 PolarHBondContact O-N 3.35Å
98S97.4Very high97.6Very high8 Ų832.4 Ų32.46%0.05617%0.165CC..THydrogen-bonded Turntrans-76.6-5.817472.70000113.5C76 A94 L95C76-S98 WeakPolarHBondContact CA-O 3.5Å; C76-S98 WeakPolarHBondContact CB-O 3.33Å; C76-S98 PolarHBondContact N-O 3.38Å; C76-S98 PolarHBondContact SG-OG 2.75Å; C76-S98 VanDerWaalsContact SG-OG 3.38Å; A94-S98 WeakPolarHBondContact O-CB 3.41Å; A94-S98 PolarHBondContact O-N 3.04Å; A94-S98 PolarHBondContact O-OG 3.05Å; L95-S98 PolarHBondContact O-OG 3.22Å
99R97.3Very high97.4Very high52 Ų5232.5 Ų32.520%0.19617%0.165CC..THydrogen-bonded Turntrans62.145.4-179.4-51.2-60.5-173136.5-0.7113.5Y74 C76 T77 L95 L96 H97 N127 H128Y74-R99 HydrophobicContact CD1-CG 3.51Å; Y74-R99 HydrophobicContact CD2-CG 3.55Å; Y74-R99 HydrophobicContact CE1-CG 4.07Å; Y74-R99 HydrophobicContact CE2-CG 4.12Å; Y74-R99 HydrophobicContact CG-CB 4.14Å; Y74-R99 HydrophobicContact CG-CG 3.2Å; Y74-R99 PolarHBondContact OH-NH2 3.08Å; Y74-R99 VanDerWaalsContact OH-NH2 3.08Å; C76-R99 CarbonylContact C-O 3.48Å; T77-R99 WeakPolarHBondContact CA-O 3.42Å; L95-R99 PolarHBondContact O-N 2.89Å; L96-R99 PolarHBondContact O-N 3.38Å; H97-R99 PolarHBondContact O-N 3.35Å; R99-N127 PolarHBondContact NH1-O 2.78Å; R99-H128 VanDerWaalsContact CD-CG 3.49Å
100I98.3Very high97.3Very high0 Ų037.2 Ų37.20%018%0.181CC..BIsolated β-bridgetrans-55.3145.6172.9-161.567000110.8C76 F79 C81 L95 V103 H128 F130C76-I100 HydrophobicContact CB-CB 4.36Å; C76-I100 HydrophobicContact CB-CD1 3.76Å; F79-I100 HydrophobicContact CB-CD1 4.42Å; F79-I100 WeakPolarHBondContact O-CD1 3.47Å; C81-I100 HydrophobicContact CB-CD1 3.82Å; C81-I100 HydrophobicContact CB-CG1 3.88Å; L95-I100 HydrophobicContact CB-CB 4.42Å; L95-I100 HydrophobicContact CB-CG2 3.9Å; L95-I100 HydrophobicContact CD2-CB 3.99Å; L95-I100 HydrophobicContact CD2-CD1 4.31Å; L95-I100 HydrophobicContact CD2-CG1 4.01Å; L95-I100 HydrophobicContact CD2-CG2 4.19Å; L95-I100 WeakPolarHBondContact O-CG2 3.27Å; L95-I100 PolarHBondContact O-N 2.9Å; L95-I100 VanDerWaalsContact O-N 3.1Å; I100-V103 HydrophobicContact CG1-CG2 4.2Å; I100-V103 HydrophobicContact CG2-CG2 3.78Å; I100-H128 PolarHBondContact O-NE2 3.24Å; I100-F130 HydrophobicContact CG2-CD1 3.96Å; I100-F130 HydrophobicContact CG2-CD2 3.86Å; I100-F130 HydrophobicContact CG2-CE1 4.05Å; I100-F130 HydrophobicContact CG2-CE2 3.96Å; I100-F130 HydrophobicContact CG2-CG 3.85Å; I100-F130 HydrophobicContact CG2-CZ 4.04Å
101R97.7Very high97.1Very high89 Ų8939.3 Ų39.334%0.33619%0.194SC..SBendtrans-81.3-50.3179.3-168.8-174.166.9120.9-15.7112.5P11 F79 D80 F130P11-R101 VanDerWaalsContact CG-NH2 3.25Å; F79-R101 WeakPolarHBondContact O-CB 3.15Å; F79-R101 PolarHBondContact O-N 3.11Å; D80-R101 IonicContact OD1-CZ 3.09Å; D80-R101 IonicContact OD1-NE 2.74Å; D80-R101 PolarHBondContact OD1-NE 2.96Å; D80-R101 IonicContact OD1-NH2 2.81Å; D80-R101 PolarHBondContact OD1-NH2 2.88Å; D80-R101 IonicContact OD2-CZ 3.68Å; D80-R101 IonicContact OD2-NH2 2.7Å; D80-R101 PolarHBondContact OD2-NH2 2.87Å; R101-F130 WeakPolarHBondContact O-CB 3.49Å
102R98.6Very high97Very high69 Ų6939.1 Ų39.126%0.2619%0.192SC..EExtended strand (participates in β ladder)trans-145.3150.5179.7-59.7-173.4-64.2-177.86.1110.1D80 C81 F104 D131 F133D80-R102 WeakPolarHBondContact CA-O 3.35Å; D80-R102 IonicContact OD1-NE 2.73Å; D80-R102 PolarHBondContact OD1-NE 2.94Å; D80-R102 IonicContact OD2-CZ 3.08Å; D80-R102 VanDerWaalsContact OD2-CZ 3.32Å; D80-R102 IonicContact OD2-NE 3.83Å; D80-R102 PolarHBondContact OD2-NE 3.48Å; D80-R102 VanDerWaalsContact OD2-NE 3.08Å; D80-R102 IonicContact OD2-NH2 3.47Å; D80-R102 PolarHBondContact OD2-NH2 3.28Å; C81-R102 PolarHBondContact N-O 3.32Å; R102-F104 HydrophobicContact CB-CE2 3.78Å; R102-F104 HydrophobicContact CB-CZ 4.25Å; R102-D131 WeakPolarHBondContact CA-O 3.25Å; R102-D131 HydrophobicContact CG-CB 4.31Å; R102-F133 HydrophobicContact CB-CE2 4.44Å; R102-F133 HydrophobicContact CG-CE2 4.43Å
103V98.8Very high97Very high0 Ų039 Ų390%019%0.192CC..EExtended strand (participates in β ladder)trans-124134.2172.5-173.30000110.5C81 V83 L95 I100 F114 F130 D131 V132 F133C81-V103 HydrophobicContact CB-CG1 4.3Å; C81-V103 HydrophobicContact CB-CG2 4.18Å; C81-V103 CarbonylContact O-C 3.56Å; C81-V103 WeakPolarHBondContact O-CA 3.44Å; V83-V103 HydrophobicContact CG1-CG1 4.21Å; L95-V103 HydrophobicContact CD1-CG1 4.48Å; L95-V103 HydrophobicContact CD1-CG2 3.99Å; I100-V103 HydrophobicContact CG1-CG2 4.2Å; I100-V103 HydrophobicContact CG2-CG2 3.78Å; V103-F114 HydrophobicContact CB-CE2 4.09Å; V103-F114 HydrophobicContact CG1-CE2 3.86Å; V103-F114 HydrophobicContact CG2-CE2 4.18Å; V103-F114 HydrophobicContact CG2-CZ 4.44Å; V103-F130 HydrophobicContact CB-CE2 4.21Å; V103-F130 HydrophobicContact CG2-CD2 3.84Å; V103-F130 HydrophobicContact CG2-CE2 3.42Å; V103-F130 VanDerWaalsContact CG2-CE2 3.42Å; V103-F130 HydrophobicContact CG2-CZ 4.31Å; V103-D131 PolarHBondContact N-O 3.06Å; V103-V132 HydrophobicContact CB-CG2 4.29Å; V103-V132 CarbonylContact O-C 3.51Å; V103-V132 WeakPolarHBondContact O-CA 3.43Å; V103-F133 PolarHBondContact O-N 3.05Å
104F98.7Very high97Very high22 Ų2236.6 Ų36.610%0.09618%0.177CC..EExtended strand (participates in β ladder)trans-117.1129.5175.5-61.3-91.6000107.9D80 C81 Y82 V83 R102 F133 I136D80-F104 HydrophobicContact CB-CD2 4.5Å; D80-F104 HydrophobicContact CB-CE2 4.12Å; C81-F104 PolarHBondContact O-N 3.13Å; Y82-F104 CarbonylContact C-O 3.47Å; Y82-F104 WeakPolarHBondContact CA-O 3.44Å; Y82-F104 HydrophobicContact CD1-CB 3.41Å; Y82-F104 VanDerWaalsContact CD1-CB 3.41Å; Y82-F104 AromaticContact CD1-CD2 3.97Å; Y82-F104 HydrophobicContact CD1-CD2 3.97Å; Y82-F104 AromaticContact CD1-CG 3.79Å; Y82-F104 HydrophobicContact CD1-CG 3.79Å; Y82-F104 HydrophobicContact CD2-CD2 4.4Å; Y82-F104 HydrophobicContact CE1-CB 3.68Å; Y82-F104 HydrophobicContact CE1-CD1 4.1Å; Y82-F104 AromaticContact CE1-CD2 3.54Å; Y82-F104 HydrophobicContact CE1-CD2 3.54Å; Y82-F104 HydrophobicContact CE1-CE2 4.21Å; Y82-F104 AromaticContact CE1-CG 3.49Å; Y82-F104 HydrophobicContact CE1-CG 3.49Å; Y82-F104 VanDerWaalsContact CE1-CG 3.49Å; Y82-F104 HydrophobicContact CE2-CD2 4.02Å; Y82-F104 HydrophobicContact CE2-CE2 4.43Å; Y82-F104 HydrophobicContact CG-CB 4.06Å; Y82-F104 HydrophobicContact CG-CD2 4.36Å; Y82-F104 AromaticContact CZ-CD2 3.56Å; Y82-F104 AromaticContact CZ-CE2 3.89Å; V83-F104 PolarHBondContact N-O 3.31Å; R102-F104 HydrophobicContact CB-CE2 3.78Å; R102-F104 HydrophobicContact CB-CZ 4.25Å; F104-F133 CarbonylContact C-O 3.55Å; F104-F133 WeakPolarHBondContact CA-O 3.46Å; F104-F133 HydrophobicContact CD1-CB 3.54Å; F104-F133 AromaticContact CD1-CD2 3.85Å; F104-F133 HydrophobicContact CD1-CD2 3.85Å; F104-F133 AromaticContact CD1-CG 3.89Å; F104-F133 HydrophobicContact CD1-CG 3.89Å; F104-F133 HydrophobicContact CE1-CB 3.83Å; F104-F133 HydrophobicContact CE1-CD1 4.42Å; F104-F133 AromaticContact CE1-CD2 3.39Å; F104-F133 HydrophobicContact CE1-CD2 3.39Å; F104-F133 HydrophobicContact CE1-CE2 4.08Å; F104-F133 AromaticContact CE1-CG 3.61Å; F104-F133 HydrophobicContact CE1-CG 3.61Å; F104-F133 HydrophobicContact CE2-CD2 4.46Å; F104-F133 HydrophobicContact CG-CB 4.4Å; F104-F133 AromaticContact CZ-CD2 3.74Å; F104-F133 HydrophobicContact CZ-CD2 3.74Å; F104-F133 HydrophobicContact CZ-CE2 4.08Å; F104-F133 HydrophobicContact CZ-CG 4.4Å; F104-I136 HydrophobicContact CB-CG1 4.16Å; F104-I136 HydrophobicContact CD1-CG1 4.22Å
105Y98.3Very high96.7Very high4 Ų437.3 Ų37.32%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-135.1152.3175.674.4-93.4000114.3V83 E86 H107 C108 F114 V132 F133 R134 G135 I136V83-Y105 WeakPolarHBondContact O-CA 3.38Å; V83-Y105 WeakPolarHBondContact O-CB 3.47Å; E86-Y105 HydrophobicContact CB-CD2 3.82Å; E86-Y105 HydrophobicContact CB-CE2 3.69Å; E86-Y105 HydrophobicContact CB-CG 4.36Å; E86-Y105 HydrophobicContact CG-CD2 4.42Å; E86-Y105 HydrophobicContact CG-CE1 4.24Å; E86-Y105 HydrophobicContact CG-CE2 4.02Å; Y105-H107 WeakPolarHBondContact CD2-O 3.34Å; Y105-C108 PolarHBondContact OH-SG 2.93Å; Y105-C108 VanDerWaalsContact OH-SG 3.37Å; Y105-F114 HydrophobicContact CD1-CD2 4.45Å; Y105-F114 HydrophobicContact CE1-CB 4.26Å; Y105-V132 HydrophobicContact CD1-CG1 3.76Å; Y105-V132 HydrophobicContact CE1-CG1 3.52Å; Y105-F133 PolarHBondContact N-O 2.97Å; Y105-R134 HydrophobicContact CD1-CB 4.22Å; Y105-R134 HydrophobicContact CD2-CB 4.24Å; Y105-R134 HydrophobicContact CE1-CB 3.58Å; Y105-R134 HydrophobicContact CE2-CB 3.6Å; Y105-R134 CarbonylContact O-C 3.57Å; Y105-R134 WeakPolarHBondContact O-CA 3.14Å; Y105-R134 WeakPolarHBondContact OH-CB 2.91Å; Y105-R134 WeakPolarHBondContact OH-CD 3.23Å; Y105-G135 PolarHBondContact O-N 3.02Å; Y105-I136 PolarHBondContact O-N 3.12Å
106G97.3Very high96.5Very high1 Ų139.7 Ų39.71%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-70.7-73.9-176.900000113.2V83 G135 I136V83-G106 PolarHBondContact O-N 2.82Å; V83-G106 VanDerWaalsContact O-N 3.17Å; G106-G135 WeakPolarHBondContact O-CA 3.25Å; G106-G135 PolarHBondContact O-N 3.47Å; G106-G135 VanDerWaalsContact O-N 3.12Å; G106-I136 VanDerWaalsContact CA-O 3.23Å; G106-I136 WeakPolarHBondContact CA-O 3.21Å
107H95.3Very high96.3Very high9 Ų946.6 Ų46.64%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-123.4153.6-176.970.5-74.3000112.8T84 R85 E86 Y105 E138 R142 N145T84-H107 PolarHBondContact O-N 2.93Å; T84-H107 PolarHBondContact O-ND1 2.97Å; R85-H107 WeakPolarHBondContact CA-O 3.36Å; R85-H107 WeakPolarHBondContact CB-CE1 3.02Å; E86-H107 PolarHBondContact N-O 3.25Å; Y105-H107 WeakPolarHBondContact CD2-O 3.34Å; H107-E138 HydrophobicContact CB-CG 4.02Å; H107-R142 HydrophobicContact CB-CG 3.83Å; H107-N145 PolarHBondContact CE1-ND2 3.17Å; H107-N145 PolarHBondContact NE2-ND2 3.41Å
108C95.5Very high96.1Very high43 Ų4342.2 Ų42.229%0.29122%0.218SC..  trans-71.2151.7174.4-59.10000110.9E86 Y105E86-C108 WeakPolarHBondContact OE2-CA 3.32Å; Y105-C108 PolarHBondContact OH-SG 2.93Å; Y105-C108 VanDerWaalsContact OH-SG 3.37Å
109T94.2Very high96.1Very high22 Ų2246.1 Ų46.114%0.13524%0.238CC..  trans-127.5150.7176.9720000110R85 E86 N111 G112 S116R85-T109 HydrophobicContact CB-CG2 3.71Å; R85-T109 HydrophobicContact CG-CG2 3.9Å; E86-T109 HydrophobicContact CB-CG2 4.29Å; E86-T109 PolarHBondContact OE2-N 2.91Å; T109-N111 PolarHBondContact O-N 3Å; T109-G112 PolarHBondContact O-N 2.56Å; T109-G112 WeakPolarHBondContact OG1-CA 3.32Å; T109-G112 PolarHBondContact OG1-N 3.22Å; T109-G112 VanDerWaalsContact OG1-N 3.13Å; T109-S116 WeakPolarHBondContact O-CB 3.36Å; T109-S116 PolarHBondContact O-OG 3.01Å
110E92.9Very high96Very high166 Ų16645.5 Ų45.578%0.77624%0.238SC*.THydrogen-bonded Turntrans-56.1-27.3-179.8-65-176.4169.900113.6K117E110-K117 WeakPolarHBondContact O-CE 3.36Å; E110-K117 WeakPolarHBondContact O-CG 3.47Å
111N92.9Very high95.9Very high111 Ų11146 Ų4659%0.59424%0.241SC*.THydrogen-bonded Turntrans-108.620.7-179.5-64.2-47.9000112.8C88 P89 T109C88-N111 WeakPolarHBondContact CA-O 3.43Å; P89-N111 VanDerWaalsContact CD-O 3.31Å; P89-N111 WeakPolarHBondContact CD-O 3.37Å; T109-N111 PolarHBondContact O-N 3Å
112G96.5Very high95.9Very high0 Ų047 Ų470%025%0.249CC..  trans-77.9150.7-179.800000113.3E86 P87 T109 K117E86-G112 WeakPolarHBondContact OE1-CA 3.4Å; P87-G112 WeakPolarHBondContact O-CA 3.37Å; T109-G112 PolarHBondContact O-N 2.56Å; T109-G112 WeakPolarHBondContact OG1-CA 3.32Å; T109-G112 PolarHBondContact OG1-N 3.22Å; T109-G112 VanDerWaalsContact OG1-N 3.13Å; G112-K117 WeakPolarHBondContact O-CB 3.37Å; G112-K117 PolarHBondContact O-N 3.21Å
113A97.4Very high95.7Very high0 Ų047.8 Ų47.80%026%0.258CS..THydrogen-bonded Turntrans-118.115.8-171.700000114.9E86 P87 P89 A92 A118 L120E86-A113 PolarHBondContact OE1-N 3.04Å; P87-A113 PolarHBondContact O-N 3.31Å; P89-A113 HydrophobicContact CB-CB 4.35Å; P89-A113 HydrophobicContact CG-CB 4.02Å; A92-A113 HydrophobicContact CB-CB 3.8Å; A113-A118 CarbonylContact C-O 3.4Å; A113-A118 CarbonylContact O-C 3.55Å; A113-L120 HydrophobicContact CB-CD1 3.75Å; A113-L120 HydrophobicContact CB-CG 4.15Å; A113-L120 PolarHBondContact O-N 3.24Å; A113-L120 VanDerWaalsContact O-N 3.08Å
114F97Very high95.5Very high8 Ų854.4 Ų54.44%0.03529%0.294CS..THydrogen-bonded Turntrans-116.75.7174.9-63.9-25.8000114E86 P87 A92 L95 V103 Y105 A118 L119 H121 F130 V132E86-F114 HydrophobicContact CG-CB 4.26Å; E86-F114 PolarHBondContact OE1-N 2.87Å; P87-F114 HydrophobicContact CB-CD2 4.39Å; P87-F114 HydrophobicContact CB-CE2 3.92Å; P87-F114 HydrophobicContact CB-CZ 4.27Å; P87-F114 HydrophobicContact CG-CD2 4.03Å; P87-F114 HydrophobicContact CG-CE2 3.54Å; P87-F114 HydrophobicContact CG-CZ 4.29Å; A92-F114 HydrophobicContact CB-CD1 4.12Å; A92-F114 HydrophobicContact CB-CE1 3.41Å; A92-F114 VanDerWaalsContact CB-CE1 3.41Å; A92-F114 HydrophobicContact CB-CZ 3.81Å; L95-F114 HydrophobicContact CD1-CE2 4.3Å; L95-F114 HydrophobicContact CD1-CZ 4.08Å; V103-F114 HydrophobicContact CB-CE2 4.09Å; V103-F114 HydrophobicContact CG1-CE2 3.86Å; V103-F114 HydrophobicContact CG2-CE2 4.18Å; V103-F114 HydrophobicContact CG2-CZ 4.44Å; Y105-F114 HydrophobicContact CD1-CD2 4.45Å; Y105-F114 HydrophobicContact CE1-CB 4.26Å; F114-A118 CarbonylContact C-O 3.59Å; F114-A118 PolarHBondContact N-O 2.89Å; F114-L119 WeakPolarHBondContact O-CD2 3.28Å; F114-H121 HydrophobicContact CD1-CB 4.02Å; F114-H121 AromaticContact CD1-CG 3.99Å; F114-H121 AromaticContact CD1-ND1 3.52Å; F114-H121 HydrophobicContact CE1-CB 3.98Å; F114-H121 AromaticContact CG-ND1 4Å; F114-H121 PolarHBondContact O-CE1 3.23Å; F114-H121 VanDerWaalsContact O-CE1 3.29Å; F114-F130 HydrophobicContact CE1-CE2 4.04Å; F114-F130 AromaticContact CE1-CZ 3.69Å; F114-F130 HydrophobicContact CE1-CZ 3.69Å; F114-F130 HydrophobicContact CE2-CE2 4.29Å; F114-F130 AromaticContact CZ-CE2 3.73Å; F114-F130 HydrophobicContact CZ-CE2 3.73Å; F114-F130 AromaticContact CZ-CZ 3.6Å; F114-F130 HydrophobicContact CZ-CZ 3.6Å; F114-V132 HydrophobicContact CB-CG1 3.94Å; F114-V132 HydrophobicContact CB-CG2 4.41Å; F114-V132 HydrophobicContact CD1-CG2 4.33Å; F114-V132 HydrophobicContact CD2-CG1 3.83Å; F114-V132 HydrophobicContact CD2-CG2 3.93Å; F114-V132 HydrophobicContact CE2-CG2 4.2Å; F114-V132 HydrophobicContact CG-CG1 4.13Å; F114-V132 HydrophobicContact CG-CG2 4.01Å
115G93Very high95.2Very high41 Ų4157.7 Ų57.742%0.42333%0.325SS..THydrogen-bonded Turntrans177.4-22.5170.400000113.2E86 A118E86-G115 PolarHBondContact OE1-N 3.06Å; G115-A118 PolarHBondContact N-O 3.37Å
116S94.4Very high95Very high49 Ų4959 Ų5934%0.34333%0.333SS..THydrogen-bonded Turntrans-79.7-50.1-174.6-66.80000113.8E86 T109E86-S116 PolarHBondContact OE1-N 3.42Å; E86-S116 VanDerWaalsContact OE2-CB 3.32Å; E86-S116 WeakPolarHBondContact OE2-CB 3.44Å; E86-S116 PolarHBondContact OE2-OG 2.86Å; T109-S116 WeakPolarHBondContact O-CB 3.36Å; T109-S116 PolarHBondContact O-OG 3.01Å
117K94.4Very high94.9Very high156 Ų15665.7 Ų65.768%0.67837%0.369SS*.SBendtrans-116.5-21.2178-65.8-69.3-176.8178.10113.9E110 G112E110-K117 WeakPolarHBondContact O-CE 3.36Å; E110-K117 WeakPolarHBondContact O-CG 3.47Å; G112-K117 WeakPolarHBondContact O-CB 3.37Å; G112-K117 PolarHBondContact O-N 3.21Å
118A93.2Very high95Very high36 Ų3667 Ų6730%0.29838%0.375SS..  trans-157.2167.7-177.100000110.2A113 F114 G115 L120A113-A118 CarbonylContact C-O 3.4Å; A113-A118 CarbonylContact O-C 3.55Å; F114-A118 CarbonylContact C-O 3.59Å; F114-A118 PolarHBondContact N-O 2.89Å; G115-A118 PolarHBondContact N-O 3.37Å; A118-L120 HydrophobicContact CB-CD2 4.24Å; A118-L120 HydrophobicContact CB-CG 4.02Å
119L95.6Very high95.1Very high91 Ų9171.4 Ų71.448%0.47639%0.385SS..  trans-119.858.9172.1-65.6168.9000109.1F114 H121 Q122 L123F114-L119 WeakPolarHBondContact O-CD2 3.28Å; L119-H121 PolarHBondContact O-N 3.12Å; L119-H121 VanDerWaalsContact O-N 3.15Å; L119-Q122 HydrophobicContact CB-CB 4.36Å; L119-Q122 PolarHBondContact O-N 3.37Å; L119-L123 PolarHBondContact O-N 3.46Å
120L96.2Very high95.2Very high38 Ų3870.9 Ų70.920%0.19938%0.381CS..G310 helixtrans-61.2-29.8-170.6-69.3-177.2000113.4P89 A92 V93 A113 A118 Q122P89-L120 HydrophobicContact CB-CD1 4.35Å; A92-L120 HydrophobicContact CB-CB 4.45Å; A92-L120 HydrophobicContact CB-CD1 3.94Å; V93-L120 HydrophobicContact CG2-CD1 3.92Å; A113-L120 HydrophobicContact CB-CD1 3.75Å; A113-L120 HydrophobicContact CB-CG 4.15Å; A113-L120 PolarHBondContact O-N 3.24Å; A113-L120 VanDerWaalsContact O-N 3.08Å; A118-L120 HydrophobicContact CB-CD2 4.24Å; A118-L120 HydrophobicContact CB-CG 4.02Å; L120-Q122 PolarHBondContact O-N 2.87Å
121H96.5Very high95.5Very high12 Ų1267.9 Ų67.96%0.05637%0.37CS..G310 helixtrans-70.1-12.7176.566.4-69.7000114.3F114 L119 R129 F130 V132F114-H121 HydrophobicContact CD1-CB 4.02Å; F114-H121 AromaticContact CD1-CG 3.99Å; F114-H121 AromaticContact CD1-ND1 3.52Å; F114-H121 HydrophobicContact CE1-CB 3.98Å; F114-H121 AromaticContact CG-ND1 4Å; F114-H121 PolarHBondContact O-CE1 3.23Å; F114-H121 VanDerWaalsContact O-CE1 3.29Å; L119-H121 PolarHBondContact O-N 3.12Å; L119-H121 VanDerWaalsContact O-N 3.15Å; H121-R129 WeakPolarHBondContact O-CA 3.34Å; H121-F130 HydrophobicContact CB-CD1 4.21Å; H121-F130 HydrophobicContact CB-CD2 4.01Å; H121-F130 HydrophobicContact CB-CE1 3.79Å; H121-F130 HydrophobicContact CB-CE2 3.55Å; H121-F130 HydrophobicContact CB-CG 4.32Å; H121-F130 HydrophobicContact CB-CZ 3.45Å; H121-F130 VanDerWaalsContact CB-CZ 3.45Å; H121-F130 PolarHBondContact CD2-O 3Å; H121-F130 PolarHBondContact O-N 2.86Å; H121-V132 HydrophobicContact CB-CG2 3.88Å; H121-V132 WeakPolarHBondContact CD2-CG2 3.28Å; H121-V132 VanDerWaalsContact CG-CG2 3.44Å
122Q96.7Very high95.8Very high109 Ų10964.1 Ų64.151%0.50935%0.352SS..G310 helixtrans-116.1-0.4-178.8-62.8-178.4-4300113.2L119 L120 D124L119-Q122 HydrophobicContact CB-CB 4.36Å; L119-Q122 PolarHBondContact O-N 3.37Å; L120-Q122 PolarHBondContact O-N 2.87Å; Q122-D124 PolarHBondContact O-N 3.25Å
123L94.8Very high95.8Very high85 Ų8568.1 Ų68.145%0.44537%0.369SS..  trans-61134.8-175-175.663000110.8L119 A125 V126 R129L119-L123 PolarHBondContact O-N 3.46Å; L123-A125 HydrophobicContact CG-CB 4.42Å; L123-A125 PolarHBondContact O-N 3.01Å; L123-V126 HydrophobicContact CB-CG1 4.24Å; L123-V126 HydrophobicContact CB-CG2 4.06Å; L123-V126 HydrophobicContact CD2-CG1 3.96Å; L123-V126 HydrophobicContact CG-CG1 4.32Å; L123-V126 WeakPolarHBondContact O-CG2 3.12Å; L123-R129 PolarHBondContact O-NH1 2.8Å
124D93.7Very high95.8Very high139 Ų13976.4 Ų76.474%0.74340%0.4SS*.THydrogen-bonded Turntrans-70.2-35.7-176.3-72.8-32.5000112.4Q122 V126 R129Q122-D124 PolarHBondContact O-N 3.25Å; D124-V126 PolarHBondContact O-N 3.07Å; D124-R129 PolarHBondContact O-NH1 3.41Å
125A94Very high95.8Very high92 Ų9277.5 Ų77.576%0.7641%0.414SS*.THydrogen-bonded Turntrans-72.4-5.5-177.100000114.5L123L123-A125 HydrophobicContact CG-CB 4.42Å; L123-A125 PolarHBondContact O-N 3.01Å
126V93.9Very high96Very high30 Ų3078.8 Ų78.818%0.18241%0.411CS..SBendtrans-96.1148.4178.4-62.10000111.7L96 L123 D124 H128 R129L96-V126 HydrophobicContact CD1-CB 3.86Å; L96-V126 HydrophobicContact CD1-CG1 3.86Å; L96-V126 HydrophobicContact CD1-CG2 3.81Å; L96-V126 HydrophobicContact CD2-CB 4.38Å; L123-V126 HydrophobicContact CB-CG1 4.24Å; L123-V126 HydrophobicContact CB-CG2 4.06Å; L123-V126 HydrophobicContact CD2-CG1 3.96Å; L123-V126 HydrophobicContact CG-CG1 4.32Å; L123-V126 WeakPolarHBondContact O-CG2 3.12Å; D124-V126 PolarHBondContact O-N 3.07Å; V126-H128 VanDerWaalsContact CG2-O 3.25Å; V126-H128 WeakPolarHBondContact CG2-O 3.48Å; V126-H128 PolarHBondContact O-N 3.19Å; V126-R129 PolarHBondContact O-NH1 2.73Å
127N94.2Very high96.1Very high142 Ų14282.1 Ų82.176%0.75942%0.422SS*.SBendtrans-77.8-3.5-176.5-64.6-39.5000114.3R99R99-N127 PolarHBondContact NH1-O 2.78Å
128H97.2Very high96.2Very high36 Ų3678.1 Ų78.117%0.16741%0.406CS..  trans-142.2133.2-177.2-165.455.6000110L96 R99 I100 V126 F130L96-H128 HydrophobicContact CG-CB 4.38Å; R99-H128 VanDerWaalsContact CD-CG 3.49Å; I100-H128 PolarHBondContact O-NE2 3.24Å; V126-H128 VanDerWaalsContact CG2-O 3.25Å; V126-H128 WeakPolarHBondContact CG2-O 3.48Å; V126-H128 PolarHBondContact O-N 3.19Å; H128-F130 AromaticContact CD2-CD1 3.77Å
129R97.5Very high96.3Very high136 Ų13679.5 Ų79.551%0.51342%0.417SS..  trans-129.4144.5173.8-73176.7-80.4-88.72.6108.2H121 L123 D124 V126H121-R129 WeakPolarHBondContact O-CA 3.34Å; L123-R129 PolarHBondContact O-NH1 2.8Å; D124-R129 PolarHBondContact O-NH1 3.41Å; V126-R129 PolarHBondContact O-NH1 2.73Å
130F98Very high96.2Very high12 Ų1279.9 Ų79.95%0.05342%0.417CS..  trans-148.9156.4-175.957.2-90.8000110.6L95 L96 I100 R101 V103 F114 H121 H128 V132L95-F130 HydrophobicContact CB-CZ 4.45Å; L96-F130 HydrophobicContact CB-CE1 4.18Å; I100-F130 HydrophobicContact CG2-CD1 3.96Å; I100-F130 HydrophobicContact CG2-CD2 3.86Å; I100-F130 HydrophobicContact CG2-CE1 4.05Å; I100-F130 HydrophobicContact CG2-CE2 3.96Å; I100-F130 HydrophobicContact CG2-CG 3.85Å; I100-F130 HydrophobicContact CG2-CZ 4.04Å; R101-F130 WeakPolarHBondContact O-CB 3.49Å; V103-F130 HydrophobicContact CB-CE2 4.21Å; V103-F130 HydrophobicContact CG2-CD2 3.84Å; V103-F130 HydrophobicContact CG2-CE2 3.42Å; V103-F130 VanDerWaalsContact CG2-CE2 3.42Å; V103-F130 HydrophobicContact CG2-CZ 4.31Å; F114-F130 HydrophobicContact CE1-CE2 4.04Å; F114-F130 AromaticContact CE1-CZ 3.69Å; F114-F130 HydrophobicContact CE1-CZ 3.69Å; F114-F130 HydrophobicContact CE2-CE2 4.29Å; F114-F130 AromaticContact CZ-CE2 3.73Å; F114-F130 HydrophobicContact CZ-CE2 3.73Å; F114-F130 AromaticContact CZ-CZ 3.6Å; F114-F130 HydrophobicContact CZ-CZ 3.6Å; H121-F130 HydrophobicContact CB-CD1 4.21Å; H121-F130 HydrophobicContact CB-CD2 4.01Å; H121-F130 HydrophobicContact CB-CE1 3.79Å; H121-F130 HydrophobicContact CB-CE2 3.55Å; H121-F130 HydrophobicContact CB-CG 4.32Å; H121-F130 HydrophobicContact CB-CZ 3.45Å; H121-F130 VanDerWaalsContact CB-CZ 3.45Å; H121-F130 PolarHBondContact CD2-O 3Å; H121-F130 PolarHBondContact O-N 2.86Å; H128-F130 AromaticContact CD2-CD1 3.77Å; F130-V132 HydrophobicContact CD2-CG2 3.85Å; F130-V132 HydrophobicContact CE2-CG2 3.57Å
131D98.1Very high96.2Very high102 Ų10278.7 Ų78.755%0.54541%0.411SS..EExtended strand (participates in β ladder)trans-78.5139-178.9-58.3-42.2000111.1R102 V103 F133R102-D131 WeakPolarHBondContact CA-O 3.25Å; R102-D131 HydrophobicContact CG-CB 4.31Å; V103-D131 PolarHBondContact N-O 3.06Å; D131-F133 HydrophobicContact CB-CD2 4.48Å; D131-F133 HydrophobicContact CB-CE2 3.55Å; D131-F133 HydrophobicContact CB-CZ 3.91Å
132V98.5Very high96Very high33 Ų3383.2 Ų83.220%0.243%0.428CS..EExtended strand (participates in β ladder)trans-121.3132.2175.21790000110.3V103 Y105 F114 H121 F130V103-V132 HydrophobicContact CB-CG2 4.29Å; V103-V132 CarbonylContact O-C 3.51Å; V103-V132 WeakPolarHBondContact O-CA 3.43Å; Y105-V132 HydrophobicContact CD1-CG1 3.76Å; Y105-V132 HydrophobicContact CE1-CG1 3.52Å; F114-V132 HydrophobicContact CB-CG1 3.94Å; F114-V132 HydrophobicContact CB-CG2 4.41Å; F114-V132 HydrophobicContact CD1-CG2 4.33Å; F114-V132 HydrophobicContact CD2-CG1 3.83Å; F114-V132 HydrophobicContact CD2-CG2 3.93Å; F114-V132 HydrophobicContact CE2-CG2 4.2Å; F114-V132 HydrophobicContact CG-CG1 4.13Å; F114-V132 HydrophobicContact CG-CG2 4.01Å; H121-V132 HydrophobicContact CB-CG2 3.88Å; H121-V132 WeakPolarHBondContact CD2-CG2 3.28Å; H121-V132 VanDerWaalsContact CG-CG2 3.44Å; F130-V132 HydrophobicContact CD2-CG2 3.85Å; F130-V132 HydrophobicContact CE2-CG2 3.57Å
133F98.3Very high95.7Very high84 Ų8483.7 Ų83.737%0.36843%0.431SS..EExtended strand (participates in β ladder)trans-120.8136.5178-56.3-93.1000109.2R102 V103 F104 Y105 D131R102-F133 HydrophobicContact CB-CE2 4.44Å; R102-F133 HydrophobicContact CG-CE2 4.43Å; V103-F133 PolarHBondContact O-N 3.05Å; F104-F133 CarbonylContact C-O 3.55Å; F104-F133 WeakPolarHBondContact CA-O 3.46Å; F104-F133 HydrophobicContact CD1-CB 3.54Å; F104-F133 AromaticContact CD1-CD2 3.85Å; F104-F133 HydrophobicContact CD1-CD2 3.85Å; F104-F133 AromaticContact CD1-CG 3.89Å; F104-F133 HydrophobicContact CD1-CG 3.89Å; F104-F133 HydrophobicContact CE1-CB 3.83Å; F104-F133 HydrophobicContact CE1-CD1 4.42Å; F104-F133 AromaticContact CE1-CD2 3.39Å; F104-F133 HydrophobicContact CE1-CD2 3.39Å; F104-F133 HydrophobicContact CE1-CE2 4.08Å; F104-F133 AromaticContact CE1-CG 3.61Å; F104-F133 HydrophobicContact CE1-CG 3.61Å; F104-F133 HydrophobicContact CE2-CD2 4.46Å; F104-F133 HydrophobicContact CG-CB 4.4Å; F104-F133 AromaticContact CZ-CD2 3.74Å; F104-F133 HydrophobicContact CZ-CD2 3.74Å; F104-F133 HydrophobicContact CZ-CE2 4.08Å; F104-F133 HydrophobicContact CZ-CG 4.4Å; Y105-F133 PolarHBondContact N-O 2.97Å; D131-F133 HydrophobicContact CB-CD2 4.48Å; D131-F133 HydrophobicContact CB-CE2 3.55Å; D131-F133 HydrophobicContact CB-CZ 3.91Å
134R96.9Very high95.3Very high173 Ų17383.1 Ų83.165%0.65343%0.428SS*.EExtended strand (participates in β ladder)trans-122.8162.2-176.872.7178.6-175179.50111.6Y105Y105-R134 HydrophobicContact CD1-CB 4.22Å; Y105-R134 HydrophobicContact CD2-CB 4.24Å; Y105-R134 HydrophobicContact CE1-CB 3.58Å; Y105-R134 HydrophobicContact CE2-CB 3.6Å; Y105-R134 CarbonylContact O-C 3.57Å; Y105-R134 WeakPolarHBondContact O-CA 3.14Å; Y105-R134 WeakPolarHBondContact OH-CB 2.91Å; Y105-R134 WeakPolarHBondContact OH-CD 3.23Å
135G96.4Very high94.3Very high32 Ų3277.8 Ų77.833%0.3340%0.4SS..  trans85.715.5176.200000113.7Y105 G106 M137Y105-G135 PolarHBondContact O-N 3.02Å; G106-G135 WeakPolarHBondContact O-CA 3.25Å; G106-G135 PolarHBondContact O-N 3.47Å; G106-G135 VanDerWaalsContact O-N 3.12Å; G135-M137 PolarHBondContact O-N 2.87Å
136I96.8Very high93.1Very high67 Ų6779.2 Ų79.234%0.34439%0.391SS..THydrogen-bonded Turntrans-80.6115.8-176.2-52.6-54.6000109.8F104 Y105 G106 E138F104-I136 HydrophobicContact CB-CG1 4.16Å; F104-I136 HydrophobicContact CD1-CG1 4.22Å; Y105-I136 PolarHBondContact O-N 3.12Å; G106-I136 VanDerWaalsContact CA-O 3.23Å; G106-I136 WeakPolarHBondContact CA-O 3.21Å; I136-E138 PolarHBondContact O-N 3.18Å
137M96.7Very high91.5Very high120 Ų12080.9 Ų80.959%0.59140%0.404SS*.THydrogen-bonded Turntrans50.544-173.9-58.3175.867.200110.9G135 A139 E140 C141G135-M137 PolarHBondContact O-N 2.87Å; M137-A139 VanDerWaalsContact C-N 3.3Å; M137-A139 PolarHBondContact O-N 3.34Å; M137-E140 VanDerWaalsContact CA-OE2 3.25Å; M137-E140 WeakPolarHBondContact CA-OE2 3.19Å; M137-E140 HydrophobicContact CB-CB 4.35Å; M137-E140 HydrophobicContact CE-CB 4.4Å; M137-E140 HydrophobicContact CE-CG 4.28Å; M137-E140 PolarHBondContact O-N 3.36Å; M137-C141 VanDerWaalsContact O-CB 3.28Å; M137-C141 WeakPolarHBondContact O-CB 3.32Å; M137-C141 PolarHBondContact O-N 3.27Å; M137-C141 PolarHBondContact O-SG 2.93Å
138E96.1Very high89.6Confident72 Ų7276.8 Ų76.834%0.33638%0.38SS..Hα-helixtrans-60.9-40.7-169.4-176.1170.6179.700112.1H107 I136 C141 R142H107-E138 HydrophobicContact CB-CG 4.02Å; I136-E138 PolarHBondContact O-N 3.18Å; E138-C141 PolarHBondContact O-N 2.67Å; E138-R142 HydrophobicContact CG-CG 4.45Å; E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 VanDerWaalsContact O-CG 3.28Å; E138-R142 WeakPolarHBondContact O-CG 3.47Å; E138-R142 PolarHBondContact O-N 3.19Å; E138-R142 IonicContact OE1-CZ 3.22Å; E138-R142 IonicContact OE1-NE 2.95Å; E138-R142 PolarHBondContact OE1-NE 2.95Å; E138-R142 IonicContact OE1-NH2 2.67Å; E138-R142 PolarHBondContact OE1-NH2 3.39Å
139A95.6Very high87.5Confident64 Ų6484 Ų8453%0.52941%0.405SS..Hα-helixtrans-61.3-51178.800000110.9M137 C141 R142 M143M137-A139 VanDerWaalsContact C-N 3.3Å; M137-A139 PolarHBondContact O-N 3.34Å; A139-C141 VanDerWaalsContact C-N 3.32Å; A139-C141 PolarHBondContact O-N 2.77Å; A139-R142 PolarHBondContact O-N 3.24Å; A139-R142 VanDerWaalsContact O-N 3.15Å; A139-M143 WeakPolarHBondContact O-CG 3.41Å; A139-M143 PolarHBondContact O-N 3.39Å
140E95.1Very high85.2Confident100 Ų10080.8 Ų80.847%0.46741%0.408SS..Hα-helixtrans-62.2-41.4178.6-59.588.5157.300111.2M137 R142 M143 L144M137-E140 VanDerWaalsContact CA-OE2 3.25Å; M137-E140 WeakPolarHBondContact CA-OE2 3.19Å; M137-E140 HydrophobicContact CB-CB 4.35Å; M137-E140 HydrophobicContact CE-CB 4.4Å; M137-E140 HydrophobicContact CE-CG 4.28Å; M137-E140 PolarHBondContact O-N 3.36Å; E140-R142 VanDerWaalsContact C-N 3.32Å; E140-R142 PolarHBondContact O-N 3.34Å; E140-M143 PolarHBondContact O-N 3.07Å; E140-L144 PolarHBondContact O-N 3.29Å
141C95.1Very high82.9Confident13 Ų1384.7 Ų84.79%0.08844%0.436CS..Hα-helixtrans-64.6-34.3176.7-73.40000112.9T84 M137 E138 A139T84-C141 VanDerWaalsContact O-CB 3.25Å; T84-C141 WeakPolarHBondContact O-CB 3.43Å; M137-C141 VanDerWaalsContact O-CB 3.28Å; M137-C141 WeakPolarHBondContact O-CB 3.32Å; M137-C141 PolarHBondContact O-N 3.27Å; M137-C141 PolarHBondContact O-SG 2.93Å; E138-C141 PolarHBondContact O-N 2.67Å; A139-C141 VanDerWaalsContact C-N 3.32Å; A139-C141 PolarHBondContact O-N 2.77Å
142R91.9Very high80.6Confident106 Ų10683.7 Ų83.740%0.444%0.437SS..Hα-helixtrans-73.1-38.1174.5-73.2175-178.4-77.53111.6H107 E138 A139 E140 L144 N145 E146H107-R142 HydrophobicContact CB-CG 3.83Å; E138-R142 HydrophobicContact CG-CG 4.45Å; E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 VanDerWaalsContact O-CG 3.28Å; E138-R142 WeakPolarHBondContact O-CG 3.47Å; E138-R142 PolarHBondContact O-N 3.19Å; E138-R142 IonicContact OE1-CZ 3.22Å; E138-R142 IonicContact OE1-NE 2.95Å; E138-R142 PolarHBondContact OE1-NE 2.95Å; E138-R142 IonicContact OE1-NH2 2.67Å; E138-R142 PolarHBondContact OE1-NH2 3.39Å; A139-R142 PolarHBondContact O-N 3.24Å; A139-R142 VanDerWaalsContact O-N 3.15Å; E140-R142 VanDerWaalsContact C-N 3.32Å; E140-R142 PolarHBondContact O-N 3.34Å; R142-L144 PolarHBondContact O-N 3.43Å; R142-N145 WeakPolarHBondContact O-CB 3.32Å; R142-N145 PolarHBondContact O-N 3.15Å; R142-E146 PolarHBondContact O-N 3.28Å
143M90.2Very high78.3Confident119 Ų11989 Ų8959%0.58646%0.46SS*.Hα-helixtrans-60.8-29.2176.9-71.4173.876.200113.3A139 E140 N145 E146 S147A139-M143 WeakPolarHBondContact O-CG 3.41Å; A139-M143 PolarHBondContact O-N 3.39Å; E140-M143 PolarHBondContact O-N 3.07Å; M143-N145 PolarHBondContact O-N 2.92Å; M143-E146 PolarHBondContact O-N 3.39Å; M143-E146 VanDerWaalsContact O-N 3.14Å; M143-S147 PolarHBondContact O-N 2.96Å; M143-S147 PolarHBondContact O-OG 3.19Å
144L86.5Confident75.8Confident73 Ų7388.4 Ų88.438%0.38248%0.478SS..Hα-helixtrans-59.6-25172.2-68.4173.9000113.1T84 E140 R142 S147T84-L144 HydrophobicContact CG2-CD1 3.61Å; E140-L144 PolarHBondContact O-N 3.29Å; R142-L144 PolarHBondContact O-N 3.43Å; L144-S147 PolarHBondContact O-OG 2.96Å
145N72.9Confident73.3Confident28 Ų2886.7 Ų86.715%0.1548%0.482CS..Hα-helixtrans-85.7-35.8175.3-62.5-28.9000111.9E2 H107 R142 M143E2-N145 WeakPolarHBondContact CB-OD1 3.46Å; H107-N145 PolarHBondContact CE1-ND2 3.17Å; H107-N145 PolarHBondContact NE2-ND2 3.41Å; R142-N145 WeakPolarHBondContact O-CB 3.32Å; R142-N145 PolarHBondContact O-N 3.15Å; M143-N145 PolarHBondContact O-N 2.92Å
146E70.1Confident70.4Confident121 Ų12193.8 Ų93.857%0.56550%0.503SS*.Hα-helixtrans-75.3-39.5-175.1-67.3177.6174.800112.9R142 M143 K148 R149R142-E146 PolarHBondContact O-N 3.28Å; M143-E146 PolarHBondContact O-N 3.39Å; M143-E146 VanDerWaalsContact O-N 3.14Å; E146-K148 PolarHBondContact O-N 3.14Å; E146-R149 PolarHBondContact O-N 3.25Å
147S60.3Low67.7Low66 Ų66101.7 Ų101.746%0.46255%0.547SS..Hα-helixtrans-51.5-26.917652.40000113.1M143 L144 S151M143-S147 PolarHBondContact O-N 2.96Å; M143-S147 PolarHBondContact O-OG 3.19Å; L144-S147 PolarHBondContact O-OG 2.96Å; S147-S151 PolarHBondContact O-N 3.47Å; S147-S151 PolarHBondContact O-OG 3.16Å
148K53.1Low66.3Low56 Ų56100.8 Ų100.824%0.24354%0.544CS..Hα-helixtrans-72.2-39.7173.3-63.8-158.1-174.6-163.20114.6M1 M24 E146 A150 S151 S152M1-K148 PolarHBondContact O-NZ 3.48Å; M24-K148 HydrophobicContact CE-CD 4.3Å; E146-K148 PolarHBondContact O-N 3.14Å; K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.18Å; K148-S151 PolarHBondContact O-N 3.01Å; K148-S152 PolarHBondContact O-N 3.41Å; K148-S152 PolarHBondContact O-OG 2.74Å
149R53.1Low64.7Low187 Ų187102.3 Ų102.371%0.70656%0.555SS**Hα-helixtrans-62-45-177.1-73.8-175.6177.5169.3-0.6109.9E146 S151 S152 E153E146-R149 PolarHBondContact O-N 3.25Å; R149-S151 VanDerWaalsContact C-N 3.35Å; R149-S151 PolarHBondContact O-N 2.96Å; R149-S152 PolarHBondContact O-N 2.86Å; R149-S152 PolarHBondContact O-OG 3.34Å; R149-E153 WeakPolarHBondContact O-CG 3.44Å; R149-E153 PolarHBondContact O-N 2.87Å; R149-E153 VanDerWaalsContact O-N 3.16Å
150A49Very low63Low68 Ų68104.4 Ų104.456%0.56256%0.557SS**Hα-helixtrans-61.1-40.4174.300000112.7K148 S152 E153 G154K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.18Å; A150-S152 PolarHBondContact O-N 3.17Å; A150-E153 PolarHBondContact O-N 3.28Å; A150-G154 PolarHBondContact O-N 3.45Å
151S49.3Very low61.1Low94 Ų94104.7 Ų104.766%0.65756%0.562SS**Hα-helixtrans-68.6-31.9178.9-53.20000113.2S147 K148 R149S147-S151 PolarHBondContact O-N 3.47Å; S147-S151 PolarHBondContact O-OG 3.16Å; K148-S151 PolarHBondContact O-N 3.01Å; R149-S151 VanDerWaalsContact C-N 3.35Å; R149-S151 PolarHBondContact O-N 2.96Å
152S51.2Low59Low81 Ų81110.4 Ų110.457%0.56659%0.592SS**Hα-helixtrans-80.6-22.2177.955.20000113.9K148 R149 A150K148-S152 PolarHBondContact O-N 3.41Å; K148-S152 PolarHBondContact O-OG 2.74Å; R149-S152 PolarHBondContact O-N 2.86Å; R149-S152 PolarHBondContact O-OG 3.34Å; A150-S152 PolarHBondContact O-N 3.17Å
153E49.5Very low56.8Low145 Ų145110.7 Ų110.768%0.67860%0.604SS**Hα-helixtrans-82.2-24.2179.4-75.8166.6171.900112.4R149 A150 N155R149-E153 WeakPolarHBondContact O-CG 3.44Å; R149-E153 PolarHBondContact O-N 2.87Å; R149-E153 VanDerWaalsContact O-N 3.16Å; A150-E153 PolarHBondContact O-N 3.28Å; E153-N155 VanDerWaalsContact C-N 3.28Å; E153-N155 PolarHBondContact O-N 3.43Å
154G45.6Very low54.4Low72 Ų72110.1 Ų110.174%0.74261%0.606SS**THydrogen-bonded Turntrans-78.67.7178.300000116.7A150A150-G154 PolarHBondContact O-N 3.45Å
155N44Very low51.9Low136 Ų136113 Ų11373%0.72762%0.623SS**THydrogen-bonded Turntrans-122.533.7-179.7-162.682.4000112.7E153E153-N155 VanDerWaalsContact C-N 3.28Å; E153-N155 PolarHBondContact O-N 3.43Å
156K37Very low50.2Low181 Ų181120.1 Ų120.179%0.78766%0.662SS**  trans-119.473.1167.4-74.5-174.3179179.20108.9
157D40Very low48.4Very low234 Ų234120 Ų120100%1.25167%0.671SS**  trans-161.20156.1-78.7-36.6000107

Retrieved 157 of 157 residues in 79.3 ms (Link to these results)

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