A0A096N5A7_PAPAN Loading...

Heterogeneous nuclear ribonucleoproteins A2/B1

AlphaFold DB (Q2HJ60), UniProt , Accession A0A096N5A7, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPA2B1, Length 341 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
1M41.1Very low81.3Confident243 Ų243101.7 Ų101.7100%1.19746%0.456SS*.  0107.40-166.1179.8-68.600106.4
2E54Low82.7Confident195 Ų19597.1 Ų97.191%0.91144%0.435SS*.PPolyproline II helixtrans-70.8137.3177.3-61.9-170.6140.700108.9
3R68.5Low83.8Confident205 Ų20589.6 Ų89.677%0.77440%0.402SS*.PPolyproline II helixtrans-80.5128.7175.9-173.6-178.9-66.6176.4-0.2108.6K5R3-K5 PolarHBondContact O-N 3.14Å
4E79.9Confident84.7Confident75 Ų7583.7 Ų83.735%0.3538%0.378SS..PPolyproline II helixtrans-51.2134.5176.1-56.4169.8120.500110.7E6 R9 S59 M60E4-E6 PolarHBondContact O-N 3.2Å; E4-R9 HydrophobicContact CB-CG 4.12Å; E4-R9 PolarHBondContact O-NE 3.38Å; E4-R9 PolarHBondContact O-NH2 2.94Å; E4-R9 WeakPolarHBondContact OE2-CD 3.32Å; E4-S59 WeakPolarHBondContact OE2-CA 3.22Å; E4-M60 WeakPolarHBondContact OE1-CB 3.35Å; E4-M60 PolarHBondContact OE2-N 3.22Å
5K88.4Confident85.4Confident156 Ų15679.8 Ų79.868%0.67837%0.37SS*.PPolyproline II helixtrans-54.7139.4-179.4-54.9-179.1-174.8172.80109.3R3 Q7 F8R3-K5 PolarHBondContact O-N 3.14Å; K5-Q7 PolarHBondContact O-N 3.22Å; K5-F8 HydrophobicContact CB-CD2 3.87Å; K5-F8 HydrophobicContact CB-CE2 4.18Å; K5-F8 HydrophobicContact CD-CE2 4.15Å; K5-F8 HydrophobicContact CG-CD2 4.42Å; K5-F8 HydrophobicContact CG-CE2 4.3Å; K5-F8 PolarHBondContact O-N 3.11Å
6E90.4Very high86.2Confident105 Ų10574.8 Ų74.849%0.49135%0.347SS..G310 helixtrans-47.9-39.5-176.1-165.7-169.9128.700112.8E4 F8 R9 K10 T56E4-E6 PolarHBondContact O-N 3.2Å; E6-F8 VanDerWaalsContact C-N 3.31Å; E6-F8 PolarHBondContact O-N 3.42Å; E6-R9 CarbonylContact O-C 3.59Å; E6-R9 WeakPolarHBondContact O-CA 3.42Å; E6-R9 PolarHBondContact O-N 3.41Å; E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 PolarHBondContact O-N 2.84Å; E6-K10 VanDerWaalsContact O-N 3.13Å; E6-K10 IonicContact OE1-NZ 2.64Å; E6-K10 PolarHBondContact OE1-NZ 3.25Å; E6-T56 HydrophobicContact CG-CG2 3.64Å
7Q90.3Very high86.7Confident53 Ų5371.5 Ų71.525%0.24833%0.334CS..G310 helixtrans-53.2-40.4178.6-158.266.251.500114.5K5 R9 A84 V85 A86 L159K5-Q7 PolarHBondContact O-N 3.22Å; Q7-R9 PolarHBondContact O-N 2.72Å; Q7-A84 PolarHBondContact NE2-O 3.39Å; Q7-V85 PolarHBondContact NE2-O 3.46Å; Q7-A86 VanDerWaalsContact CD-CA 3.5Å; Q7-A86 HydrophobicContact CG-CB 4.13Å; Q7-L159 HydrophobicContact CG-CD2 4.26Å
8F92.6Very high87.2Confident45 Ų4574.2 Ų74.220%0.19735%0.345CS..G310 helixtrans-71.8-18.6178.2-66.5-70.8000112.9K5 E6 M60 L159K5-F8 HydrophobicContact CB-CD2 3.87Å; K5-F8 HydrophobicContact CB-CE2 4.18Å; K5-F8 HydrophobicContact CD-CE2 4.15Å; K5-F8 HydrophobicContact CG-CD2 4.42Å; K5-F8 HydrophobicContact CG-CE2 4.3Å; K5-F8 PolarHBondContact O-N 3.11Å; E6-F8 VanDerWaalsContact C-N 3.31Å; E6-F8 PolarHBondContact O-N 3.42Å; F8-M60 HydrophobicContact CB-CE 4.01Å; F8-M60 HydrophobicContact CD1-CE 4.07Å; F8-M60 HydrophobicContact CG-CE 4.15Å; F8-L159 HydrophobicContact CD1-CB 3.87Å; F8-L159 HydrophobicContact CD1-CD1 3.77Å; F8-L159 HydrophobicContact CD1-CG 4.45Å; F8-L159 HydrophobicContact CE1-CB 3.52Å; F8-L159 HydrophobicContact CE1-CD1 4.32Å; F8-L159 HydrophobicContact CZ-CB 4.48Å
9R95.3Very high87.5Confident15 Ų1578.6 Ų78.66%0.05737%0.366CS..G310 helixtrans-106.85.1-175.7-57.5-170.2-75.2105.89.2112.8E4 E6 Q7 T56 F57 S58 S59 V63E4-R9 HydrophobicContact CB-CG 4.12Å; E4-R9 PolarHBondContact O-NE 3.38Å; E4-R9 PolarHBondContact O-NH2 2.94Å; E4-R9 WeakPolarHBondContact OE2-CD 3.32Å; E6-R9 CarbonylContact O-C 3.59Å; E6-R9 WeakPolarHBondContact O-CA 3.42Å; E6-R9 PolarHBondContact O-N 3.41Å; Q7-R9 PolarHBondContact O-N 2.72Å; R9-T56 HydrophobicContact CB-CG2 4.44Å; R9-T56 CarbonylContact O-C 3.58Å; R9-T56 WeakPolarHBondContact O-CA 3.49Å; R9-F57 PolarHBondContact NH1-O 3.36Å; R9-F57 PolarHBondContact O-N 3.19Å; R9-S58 WeakPolarHBondContact CD-O 3.42Å; R9-S58 PolarHBondContact NH1-O 3.45Å; R9-S59 VanDerWaalsContact CD-CA 3.45Å; R9-V63 WeakPolarHBondContact O-CG2 3.44Å
10K96.8Very high88Confident27 Ų2774.7 Ų74.712%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-113.7127.9-172.4-161.3175.3-155.388.50111.4E6 D37 F54 V55 T56 A84E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 PolarHBondContact O-N 2.84Å; E6-K10 VanDerWaalsContact O-N 3.13Å; E6-K10 IonicContact OE1-NZ 2.64Å; E6-K10 PolarHBondContact OE1-NZ 3.25Å; K10-D37 IonicContact NZ-OD2 2.73Å; K10-D37 PolarHBondContact NZ-OD2 2.95Å; K10-F54 HydrophobicContact CD-CD1 4.46Å; K10-F54 HydrophobicContact CG-CB 4.46Å; K10-F54 HydrophobicContact CG-CD1 4.44Å; K10-V55 CarbonylContact C-O 3.42Å; K10-V55 WeakPolarHBondContact CA-O 3.3Å; K10-T56 HydrophobicContact CB-CG2 4.2Å; K10-T56 HydrophobicContact CG-CG2 4.4Å; K10-T56 PolarHBondContact NZ-OG1 3.3Å; K10-A84 HydrophobicContact CB-CB 3.94Å; K10-A84 HydrophobicContact CD-CB 4.34Å; K10-A84 HydrophobicContact CG-CB 4Å; K10-A84 VanDerWaalsContact O-CB 3.25Å; K10-A84 WeakPolarHBondContact O-CB 3.24Å; K10-A84 PolarHBondContact O-N 2.69Å
11L97.5Very high88.3Confident0 Ų073.9 Ų73.90%035%0.348CS..EExtended strand (participates in β ladder)trans-103.8139.8170.1-66.7-179.1000110.4I13 F54 V55 F57 V63 A66 M67 P81 K82 R83L11-I13 HydrophobicContact CB-CD1 3.68Å; L11-I13 HydrophobicContact CD1-CD1 4.27Å; L11-F54 VanDerWaalsContact O-CA 3.22Å; L11-F54 WeakPolarHBondContact O-CA 3.32Å; L11-V55 HydrophobicContact CB-CG2 3.95Å; L11-V55 HydrophobicContact CD1-CG2 4.48Å; L11-V55 PolarHBondContact N-O 3.38Å; L11-V55 PolarHBondContact O-N 2.73Å; L11-V55 VanDerWaalsContact O-N 3.08Å; L11-F57 HydrophobicContact CD1-CE2 4.19Å; L11-V63 HydrophobicContact CD1-CG1 4.4Å; L11-V63 HydrophobicContact CD2-CG1 3.56Å; L11-V63 HydrophobicContact CG-CG1 3.94Å; L11-A66 HydrophobicContact CD1-CB 4.28Å; L11-M67 HydrophobicContact CD1-CG 4.32Å; L11-M67 HydrophobicContact CD1-SD 3.96Å; L11-M67 HydrophobicContact CD2-CG 3.9Å; L11-M67 HydrophobicContact CD2-SD 3.68Å; L11-M67 HydrophobicContact CG-SD 4.5Å; L11-P81 HydrophobicContact CD1-CB 4.46Å; L11-K82 CarbonylContact C-O 3.58Å; L11-K82 WeakPolarHBondContact CA-O 3.1Å; L11-R83 HydrophobicContact CD2-CG 4.03Å
12F97.1Very high91Very high46 Ų4666.5 Ų66.520%0.20231%0.31CS..EExtended strand (participates in β ladder)trans-83.7129.2157.7166.3-89.9000108.1F52 F54 P81 K82F12-F52 HydrophobicContact CD2-CD2 4.08Å; F12-F52 HydrophobicContact CE2-CB 3.86Å; F12-F52 AromaticContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CD2 3.44Å; F12-F52 VanDerWaalsContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CE2 4.15Å; F12-F52 AromaticContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CZ-CB 3.94Å; F12-F52 HydrophobicContact CZ-CD2 4.33Å; F12-F52 HydrophobicContact CZ-CG 4.31Å; F12-F54 HydrophobicContact CB-CD1 4.08Å; F12-F54 HydrophobicContact CB-CE1 3.82Å; F12-F54 AromaticContact CD2-CE1 3.88Å; F12-F54 HydrophobicContact CD2-CE1 3.88Å; F12-F54 AromaticContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CG-CE1 4.36Å; F12-P81 CarbonylContact O-C 3.6Å; F12-P81 WeakPolarHBondContact O-CA 3.36Å; F12-K82 HydrophobicContact CD1-CB 4.44Å; F12-K82 PolarHBondContact N-O 3.1Å; F12-K82 PolarHBondContact O-N 2.85Å; F12-K82 VanDerWaalsContact O-O 3.14Å
13I97.5Very high93Very high0 Ų063.8 Ų63.80%030%0.297CS..EExtended strand (participates in β ladder)trans-113.1104.8175.9-43.2-56.8000108.3L11 L16 L25 Y29 F52 G53 V55 V79 P81L11-I13 HydrophobicContact CB-CD1 3.68Å; L11-I13 HydrophobicContact CD1-CD1 4.27Å; I13-L16 HydrophobicContact CB-CD2 4.17Å; I13-L16 HydrophobicContact CG2-CD2 3.5Å; I13-L16 VanDerWaalsContact CG2-CD2 3.5Å; I13-L16 HydrophobicContact CG2-CG 4.4Å; I13-L25 HydrophobicContact CG1-CD1 4.38Å; I13-L25 HydrophobicContact CG2-CD1 4.39Å; I13-Y29 HydrophobicContact CD1-CE1 4.29Å; I13-Y29 HydrophobicContact CD1-CE2 3.73Å; I13-Y29 HydrophobicContact CG1-CE2 3.76Å; I13-Y29 HydrophobicContact CG2-CE2 4.1Å; I13-F52 CarbonylContact O-C 3.45Å; I13-F52 WeakPolarHBondContact O-CA 3.29Å; I13-F52 WeakPolarHBondContact O-CB 3.07Å; I13-G53 PolarHBondContact N-O 3.22Å; I13-G53 PolarHBondContact O-N 2.84Å; I13-V55 HydrophobicContact CD1-CG2 4Å; I13-V55 HydrophobicContact CG1-CG1 4.4Å; I13-V55 HydrophobicContact CG1-CG2 4.17Å; I13-V79 HydrophobicContact CG2-CB 3.93Å; I13-V79 HydrophobicContact CG2-CG2 3.87Å; I13-P81 HydrophobicContact CD1-CB 3.85Å
14G96.5Very high94.3Very high7 Ų755.2 Ų55.27%0.07227%0.269CS..EExtended strand (participates in β ladder)trans-90160.1175.700000112.6L16 V79 E80G14-L16 PolarHBondContact O-N 2.91Å; G14-V79 WeakPolarHBondContact O-CA 3.15Å; G14-V79 WeakPolarHBondContact O-CB 3.45Å; G14-E80 PolarHBondContact N-O 2.66Å; G14-E80 PolarHBondContact O-N 2.96Å
15G95.7Very high95.2Very high25 Ų2551.6 Ų51.626%0.25825%0.252SS..SBendtrans73.622.1173.600000115.1G51 R77G15-G51 PolarHBondContact N-O 3.38Å; G15-R77 WeakPolarHBondContact O-CD 3.44Å; G15-R77 WeakPolarHBondContact O-CG 3.3Å; G15-R77 PolarHBondContact O-NE 2.73Å
16L97Very high95.6Very high0 Ų047.7 Ų47.70%023%0.233CC..  trans-58.2157.3174.8-60.4-175.5000111.8I13 G14 T20 L25 V40 G51 R77 V79I13-L16 HydrophobicContact CB-CD2 4.17Å; I13-L16 HydrophobicContact CG2-CD2 3.5Å; I13-L16 VanDerWaalsContact CG2-CD2 3.5Å; I13-L16 HydrophobicContact CG2-CG 4.4Å; G14-L16 PolarHBondContact O-N 2.91Å; L16-T20 HydrophobicContact CB-CG2 4.38Å; L16-T20 HydrophobicContact CD1-CG2 4.09Å; L16-T20 HydrophobicContact CD2-CG2 4.29Å; L16-T20 HydrophobicContact CG-CG2 4.49Å; L16-L25 HydrophobicContact CD1-CD1 4.5Å; L16-L25 HydrophobicContact CD1-CD2 4.2Å; L16-L25 HydrophobicContact CD2-CD1 3.9Å; L16-V40 HydrophobicContact CD1-CG1 4.31Å; L16-V40 HydrophobicContact CD1-CG2 4.2Å; L16-G51 PolarHBondContact N-O 3.32Å; L16-R77 PolarHBondContact O-NH1 3.15Å; L16-V79 HydrophobicContact CD2-CB 4.45Å; L16-V79 HydrophobicContact CD2-CG1 3.85Å
17S95.8Very high95.9Very high19 Ų1947.4 Ų47.413%0.13324%0.235CC..  trans-63.7155.5165.3-173.60000110.1E19 T20 S49S17-E19 PolarHBondContact O-N 3.42Å; S17-E19 PolarHBondContact OG-N 2.94Å; S17-T20 WeakPolarHBondContact CB-OG1 3.46Å; S17-T20 PolarHBondContact N-OG1 3.34Å; S17-T20 PolarHBondContact O-N 3.36Å; S17-S49 PolarHBondContact O-OG 2.75Å
18F94.9Very high96.3Very high120 Ų12047.4 Ų47.453%0.52623%0.233SC..SBendtrans-69.6-19.3170.4-66.4-53.6000112.1S49F18-S49 WeakPolarHBondContact CD1-O 3.34Å; F18-S49 VanDerWaalsContact O-CB 3.32Å; F18-S49 WeakPolarHBondContact O-CB 3.49Å
19E94.2Very high96.5Very high158 Ų15845.3 Ų45.374%0.73822%0.224SC*.SBendtrans-85.3-23.4178.3-64171.7172.500112.3S17 T21S17-E19 PolarHBondContact O-N 3.42Å; S17-E19 PolarHBondContact OG-N 2.94Å; E19-T21 PolarHBondContact O-N 3.06Å
20T95.7Very high96.6Very high0 Ų048.3 Ų48.30%024%0.238CC..  trans-51.5126.5-177-61.80000112.6L16 S17 L25 V40 R42 I74 D75L16-T20 HydrophobicContact CB-CG2 4.38Å; L16-T20 HydrophobicContact CD1-CG2 4.09Å; L16-T20 HydrophobicContact CD2-CG2 4.29Å; L16-T20 HydrophobicContact CG-CG2 4.49Å; S17-T20 WeakPolarHBondContact CB-OG1 3.46Å; S17-T20 PolarHBondContact N-OG1 3.34Å; S17-T20 PolarHBondContact O-N 3.36Å; T20-L25 HydrophobicContact CG2-CB 4.08Å; T20-V40 HydrophobicContact CG2-CG2 4.3Å; T20-R42 PolarHBondContact O-NH2 2.97Å; T20-I74 HydrophobicContact CG2-CG2 4.42Å; T20-D75 WeakPolarHBondContact CA-OD2 3.48Å; T20-D75 WeakPolarHBondContact CB-OD2 3.31Å; T20-D75 WeakPolarHBondContact CG2-OD2 3.03Å; T20-D75 PolarHBondContact OG1-OD2 2.84Å
21T96.1Very high96.6Very high57 Ų5753 Ų5335%0.3526%0.261SS..  trans-102167.4178.767.40000110.4E19 E23 S24 L25E19-T21 PolarHBondContact O-N 3.06Å; T21-E23 PolarHBondContact O-N 3.23Å; T21-E23 PolarHBondContact OG1-N 2.85Å; T21-S24 PolarHBondContact N-OG 3.06Å; T21-S24 PolarHBondContact O-N 3.02Å; T21-S24 PolarHBondContact O-OG 2.72Å; T21-S24 PolarHBondContact OG1-N 3.39Å; T21-L25 VanDerWaalsContact O-CB 3.23Å; T21-L25 WeakPolarHBondContact O-CB 3.35Å; T21-L25 PolarHBondContact O-N 3.45Å
22E96.4Very high96.6Very high89 Ų8955.3 Ų55.342%0.41627%0.27SS..Hα-helixtrans-66.7-21.7173-71.2167.616900111.7R26 C38 V39 V40E22-R26 WeakPolarHBondContact O-CB 3.14Å; E22-R26 PolarHBondContact O-N 3.39Å; E22-C38 PolarHBondContact O-SG 2.89Å; E22-C38 VanDerWaalsContact O-SG 3.34Å; E22-V39 WeakPolarHBondContact OE1-CA 3.33Å; E22-V40 HydrophobicContact CG-CB 3.92Å; E22-V40 HydrophobicContact CG-CG2 3.82Å; E22-V40 VanDerWaalsContact CG-N 3.31Å; E22-V40 PolarHBondContact OE1-N 3.33Å
23E96.6Very high96.6Very high137 Ų13753.9 Ų53.964%0.6427%0.268SS*.Hα-helixtrans-78-49.2173.3-176.8177.3-171.900112.1T21 L25 R26 N27T21-E23 PolarHBondContact O-N 3.23Å; T21-E23 PolarHBondContact OG1-N 2.85Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.12Å; E23-R26 PolarHBondContact O-N 3.18Å; E23-N27 VanDerWaalsContact O-CB 3.32Å; E23-N27 WeakPolarHBondContact O-CB 3.2Å; E23-N27 PolarHBondContact O-N 2.65Å; E23-N27 PolarHBondContact O-ND2 3.47Å; E23-N27 PolarHBondContact O-OD1 3.09Å
24S96.5Very high96.5Very high25 Ų2561.1 Ų61.118%0.17530%0.299CS..Hα-helixtrans-64.6-40.817766.70000111.5T21 Y28 D75T21-S24 PolarHBondContact N-OG 3.06Å; T21-S24 PolarHBondContact O-N 3.02Å; T21-S24 PolarHBondContact O-OG 2.72Å; T21-S24 PolarHBondContact OG1-N 3.39Å; S24-Y28 WeakPolarHBondContact O-CB 3.23Å; S24-Y28 PolarHBondContact O-N 3.46Å; S24-Y28 VanDerWaalsContact O-N 3.11Å; S24-D75 WeakPolarHBondContact CB-OD1 3.47Å; S24-D75 PolarHBondContact OG-OD1 3.42Å; S24-D75 PolarHBondContact OG-OD2 2.97Å
25L97.3Very high96.6Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-63.1-41.4173.9-172.864.8000112.3I13 L16 T20 T21 E23 Y29 V40 V55 I74I13-L25 HydrophobicContact CG1-CD1 4.38Å; I13-L25 HydrophobicContact CG2-CD1 4.39Å; L16-L25 HydrophobicContact CD1-CD1 4.5Å; L16-L25 HydrophobicContact CD1-CD2 4.2Å; L16-L25 HydrophobicContact CD2-CD1 3.9Å; T20-L25 HydrophobicContact CG2-CB 4.08Å; T21-L25 VanDerWaalsContact O-CB 3.23Å; T21-L25 WeakPolarHBondContact O-CB 3.35Å; T21-L25 PolarHBondContact O-N 3.45Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.12Å; L25-Y29 HydrophobicContact CD1-CD2 3.71Å; L25-Y29 HydrophobicContact CD1-CE2 3.62Å; L25-Y29 HydrophobicContact CG-CD2 4.3Å; L25-Y29 WeakPolarHBondContact O-CD2 3.35Å; L25-Y29 PolarHBondContact O-N 2.71Å; L25-V40 HydrophobicContact CB-CG2 4.34Å; L25-V40 HydrophobicContact CD2-CG2 3.79Å; L25-V55 HydrophobicContact CD1-CG1 4.34Å; L25-V55 HydrophobicContact CD2-CG1 3.93Å; L25-V55 HydrophobicContact CG-CG1 3.8Å; L25-I74 HydrophobicContact CD1-CD1 3.76Å
26R97.8Very high96.6Very high74 Ų7463.4 Ų63.428%0.27931%0.307SS..Hα-helixtrans-65.4-55.5176.7172.1176.2-66.2-84.1-0.3111.3E22 E23 Y28 Y29 E30 L35 C38E22-R26 WeakPolarHBondContact O-CB 3.14Å; E22-R26 PolarHBondContact O-N 3.39Å; E23-R26 PolarHBondContact O-N 3.18Å; R26-Y28 PolarHBondContact O-N 3.34Å; R26-Y29 PolarHBondContact O-N 2.91Å; R26-Y29 VanDerWaalsContact O-N 3.12Å; R26-E30 WeakPolarHBondContact CD-OE1 3.47Å; R26-E30 HydrophobicContact CG-CG 3.93Å; R26-E30 WeakPolarHBondContact CG-OE1 3.21Å; R26-E30 IonicContact CZ-OE1 3.92Å; R26-E30 IonicContact NE-OE1 3.58Å; R26-E30 IonicContact NH1-OE1 3.68Å; R26-E30 PolarHBondContact NH1-OE1 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.09Å; R26-E30 WeakPolarHBondContact O-CG 3.45Å; R26-E30 PolarHBondContact O-N 3.33Å; R26-L35 HydrophobicContact CB-CD1 4.37Å; R26-L35 HydrophobicContact CG-CD1 4.27Å; R26-L35 PolarHBondContact NH1-O 2.8Å; R26-C38 HydrophobicContact CB-CB 4.36Å
27N97Very high96.6Very high99 Ų9966.1 Ų66.153%0.52932%0.321SS..Hα-helixtrans-59.8-32.9-174.9-66.2-10.2000111.5E23E23-N27 VanDerWaalsContact O-CB 3.32Å; E23-N27 WeakPolarHBondContact O-CB 3.2Å; E23-N27 PolarHBondContact O-N 2.65Å; E23-N27 PolarHBondContact O-ND2 3.47Å; E23-N27 PolarHBondContact O-OD1 3.09Å
28Y97.6Very high96.7Very high53 Ų5365.8 Ų65.821%0.20832%0.319CS..Hα-helixtrans-69.3-52.2172.8-171.7-95.6000112.8S24 R26 Q31 W32 H72 S73 I74S24-Y28 WeakPolarHBondContact O-CB 3.23Å; S24-Y28 PolarHBondContact O-N 3.46Å; S24-Y28 VanDerWaalsContact O-N 3.11Å; R26-Y28 PolarHBondContact O-N 3.34Å; Y28-Q31 VanDerWaalsContact O-CG 3.24Å; Y28-Q31 WeakPolarHBondContact O-CG 3.45Å; Y28-W32 HydrophobicContact CD1-CH2 4.19Å; Y28-W32 AromaticContact CD1-CZ3 3.84Å; Y28-W32 HydrophobicContact CD1-CZ3 3.84Å; Y28-W32 AromaticContact CE1-CH2 3.53Å; Y28-W32 HydrophobicContact CE1-CH2 3.53Å; Y28-W32 AromaticContact CE1-CZ3 3.63Å; Y28-W32 HydrophobicContact CE1-CZ3 3.63Å; Y28-W32 AromaticContact CZ-CH2 3.93Å; Y28-H72 HydrophobicContact CE1-CB 3.85Å; Y28-H72 AromaticContact CE1-CG 3.87Å; Y28-H72 WeakPolarHBondContact OH-CA 3.11Å; Y28-H72 PolarHBondContact OH-ND1 2.77Å; Y28-S73 WeakPolarHBondContact CE2-O 3.34Å; Y28-S73 PolarHBondContact OH-N 3.49Å; Y28-S73 VanDerWaalsContact OH-N 3.09Å; Y28-S73 PolarHBondContact OH-O 3.2Å; Y28-I74 HydrophobicContact CD1-CD1 3.41Å; Y28-I74 VanDerWaalsContact CD1-CD1 3.41Å; Y28-I74 HydrophobicContact CD1-CG1 3.55Å; Y28-I74 HydrophobicContact CD2-CG1 4.18Å; Y28-I74 HydrophobicContact CE1-CD1 3.83Å; Y28-I74 HydrophobicContact CE1-CG1 3.67Å; Y28-I74 HydrophobicContact CE2-CG1 4.3Å; Y28-I74 HydrophobicContact CG-CD1 3.95Å; Y28-I74 HydrophobicContact CG-CG1 3.81Å
29Y97.6Very high96.8Very high0 Ų062 Ų620%031%0.305CS..Hα-helixtrans-76.5-21.4-175.5-83.5-68.2000114.4I13 L25 R26 Q31 W32 V55 F57 A66 H72 I74I13-Y29 HydrophobicContact CD1-CE1 4.29Å; I13-Y29 HydrophobicContact CD1-CE2 3.73Å; I13-Y29 HydrophobicContact CG1-CE2 3.76Å; I13-Y29 HydrophobicContact CG2-CE2 4.1Å; L25-Y29 HydrophobicContact CD1-CD2 3.71Å; L25-Y29 HydrophobicContact CD1-CE2 3.62Å; L25-Y29 HydrophobicContact CG-CD2 4.3Å; L25-Y29 WeakPolarHBondContact O-CD2 3.35Å; L25-Y29 PolarHBondContact O-N 2.71Å; R26-Y29 PolarHBondContact O-N 2.91Å; R26-Y29 VanDerWaalsContact O-N 3.12Å; Y29-Q31 PolarHBondContact O-N 2.79Å; Y29-Q31 VanDerWaalsContact O-N 3.14Å; Y29-W32 AromaticContact CD1-CE3 3.7Å; Y29-W32 HydrophobicContact CD1-CE3 3.7Å; Y29-W32 AromaticContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CE1-CE3 4.3Å; Y29-W32 AromaticContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CG-CZ3 4.35Å; Y29-W32 PolarHBondContact O-N 2.74Å; Y29-V55 HydrophobicContact CD1-CG2 4.41Å; Y29-V55 HydrophobicContact CD2-CG1 3.83Å; Y29-V55 HydrophobicContact CD2-CG2 4.12Å; Y29-V55 HydrophobicContact CG-CG1 4.3Å; Y29-V55 HydrophobicContact CG-CG2 4.05Å; Y29-F57 HydrophobicContact CD1-CE2 4.42Å; Y29-F57 HydrophobicContact CD1-CZ 4.07Å; Y29-F57 HydrophobicContact CG-CZ 4.44Å; Y29-F57 WeakPolarHBondContact O-CE1 3.46Å; Y29-F57 WeakPolarHBondContact O-CZ 3.34Å; Y29-A66 HydrophobicContact CD1-CB 4.44Å; Y29-H72 AromaticContact CE1-CD2 3.66Å; Y29-H72 AromaticContact CE1-NE2 3.99Å; Y29-H72 AromaticContact CZ-CD2 3.9Å; Y29-H72 PolarHBondContact OH-CD2 2.86Å; Y29-H72 VanDerWaalsContact OH-CD2 3.3Å; Y29-I74 HydrophobicContact CD2-CD1 4.15Å; Y29-I74 HydrophobicContact CE2-CD1 3.45Å; Y29-I74 VanDerWaalsContact CE2-CD1 3.45Å
30E97Very high96.9Very high78 Ų7854.6 Ų54.636%0.36427%0.271SS..G310 helixtrans-65-14.3176.7-78.9-174.5176.300113.8R26 W32 G33 L35R26-E30 WeakPolarHBondContact CD-OE1 3.47Å; R26-E30 HydrophobicContact CG-CG 3.93Å; R26-E30 WeakPolarHBondContact CG-OE1 3.21Å; R26-E30 IonicContact CZ-OE1 3.92Å; R26-E30 IonicContact NE-OE1 3.58Å; R26-E30 IonicContact NH1-OE1 3.68Å; R26-E30 PolarHBondContact NH1-OE1 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.09Å; R26-E30 WeakPolarHBondContact O-CG 3.45Å; R26-E30 PolarHBondContact O-N 3.33Å; E30-W32 PolarHBondContact O-N 2.86Å; E30-G33 VanDerWaalsContact CA-O 3.31Å; E30-G33 WeakPolarHBondContact CA-O 3.2Å; E30-G33 PolarHBondContact O-N 3.18Å; E30-L35 HydrophobicContact CG-CB 3.97Å; E30-L35 HydrophobicContact CG-CD1 3.96Å; E30-L35 HydrophobicContact CG-CG 3.71Å
31Q97.2Very high97Very high127 Ų12757.3 Ų57.359%0.59329%0.285SS*.G310 helixtrans-66.3-16.2174.382.2-172.818.200114.3Y28 Y29Y28-Q31 VanDerWaalsContact O-CG 3.24Å; Y28-Q31 WeakPolarHBondContact O-CG 3.45Å; Y29-Q31 PolarHBondContact O-N 2.79Å; Y29-Q31 VanDerWaalsContact O-N 3.14Å
32W97.6Very high97Very high48 Ų4858.9 Ų58.918%0.18228%0.284CS..G310 helixtrans-104.1-7.8174.7-65.1-75.7000114.2Y28 Y29 E30 F57 A66 A69 H72Y28-W32 HydrophobicContact CD1-CH2 4.19Å; Y28-W32 AromaticContact CD1-CZ3 3.84Å; Y28-W32 HydrophobicContact CD1-CZ3 3.84Å; Y28-W32 AromaticContact CE1-CH2 3.53Å; Y28-W32 HydrophobicContact CE1-CH2 3.53Å; Y28-W32 AromaticContact CE1-CZ3 3.63Å; Y28-W32 HydrophobicContact CE1-CZ3 3.63Å; Y28-W32 AromaticContact CZ-CH2 3.93Å; Y29-W32 AromaticContact CD1-CE3 3.7Å; Y29-W32 HydrophobicContact CD1-CE3 3.7Å; Y29-W32 AromaticContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CE1-CE3 4.3Å; Y29-W32 AromaticContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CG-CZ3 4.35Å; Y29-W32 PolarHBondContact O-N 2.74Å; E30-W32 PolarHBondContact O-N 2.86Å; W32-F57 HydrophobicContact CB-CE1 4.18Å; W32-F57 HydrophobicContact CB-CZ 4.39Å; W32-A66 HydrophobicContact CB-CB 4.04Å; W32-A66 HydrophobicContact CD2-CB 4.02Å; W32-A66 HydrophobicContact CE3-CB 4.12Å; W32-A66 HydrophobicContact CG-CB 3.99Å; W32-A69 HydrophobicContact CZ2-CB 3.62Å; W32-H72 AromaticContact CH2-CE1 3.11Å; W32-H72 WeakPolarHBondContact CH2-CE1 3.28Å; W32-H72 AromaticContact CH2-ND1 3.34Å; W32-H72 VanDerWaalsContact CH2-ND1 3.34Å; W32-H72 WeakPolarHBondContact CH2-ND1 3.46Å; W32-H72 AromaticContact CH2-NE2 3.76Å; W32-H72 AromaticContact CZ2-CE1 3.2Å; W32-H72 WeakPolarHBondContact CZ2-CE1 3.2Å; W32-H72 AromaticContact CZ2-ND1 3.74Å; W32-H72 AromaticContact CZ3-CE1 3.95Å
33G96Very high96.8Very high16 Ų1657.5 Ų57.517%0.16528%0.279CS..SBendtrans156.4169-174.700000114.7E30 L35 E62E30-G33 VanDerWaalsContact CA-O 3.31Å; E30-G33 WeakPolarHBondContact CA-O 3.2Å; E30-G33 PolarHBondContact O-N 3.18Å; G33-L35 PolarHBondContact O-N 2.95Å; G33-E62 WeakPolarHBondContact CA-OE1 3.22Å
34K96.9Very high96.6Very high151 Ų15155.9 Ų55.966%0.65728%0.281SS*.  trans-76117.8-173.3-179.3171.8-177.41690112.2T36 F57 S58 E62K34-T36 PolarHBondContact O-N 2.83Å; K34-F57 CarbonylContact O-C 3.5Å; K34-F57 WeakPolarHBondContact O-CA 3.47Å; K34-S58 PolarHBondContact O-N 3.41Å; K34-E62 PolarHBondContact N-OE1 3.43Å
35L97.2Very high96.5Very high7 Ų758.9 Ų58.94%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-80.5113.1175-65.5-174.4000112.9R26 E30 G33 C38 V55 T56 F57R26-L35 HydrophobicContact CB-CD1 4.37Å; R26-L35 HydrophobicContact CG-CD1 4.27Å; R26-L35 PolarHBondContact NH1-O 2.8Å; E30-L35 HydrophobicContact CG-CB 3.97Å; E30-L35 HydrophobicContact CG-CD1 3.96Å; E30-L35 HydrophobicContact CG-CG 3.71Å; G33-L35 PolarHBondContact O-N 2.95Å; L35-C38 HydrophobicContact CD1-CB 4.29Å; L35-V55 HydrophobicContact CD1-CB 4.12Å; L35-V55 HydrophobicContact CD1-CG1 4.11Å; L35-V55 HydrophobicContact CD2-CB 3.9Å; L35-V55 HydrophobicContact CD2-CG2 4.41Å; L35-T56 CarbonylContact C-O 3.58Å; L35-T56 WeakPolarHBondContact CA-O 3.33Å; L35-F57 HydrophobicContact CD2-CD1 3.66Å; L35-F57 HydrophobicContact CD2-CD2 3.88Å; L35-F57 HydrophobicContact CD2-CE1 3.66Å; L35-F57 HydrophobicContact CD2-CE2 3.89Å; L35-F57 HydrophobicContact CD2-CG 3.79Å; L35-F57 HydrophobicContact CD2-CZ 3.79Å
36T96.7Very high96.3Very high73 Ų7362.5 Ų62.545%0.44833%0.333SS..EExtended strand (participates in β ladder)trans-75.6-25.7172.159.80000113.6K34 T56 F57K34-T36 PolarHBondContact O-N 2.83Å; T36-T56 PolarHBondContact N-O 2.82Å; T36-T56 PolarHBondContact OG1-O 2.86Å; T36-F57 PolarHBondContact OG1-O 3.22Å
37D96.6Very high96Very high58 Ų5865.5 Ų65.531%0.3135%0.348SS..EExtended strand (participates in β ladder)trans-152.5147.6175.9165.248.5000109.6K10 T56K10-D37 IonicContact NZ-OD2 2.73Å; K10-D37 PolarHBondContact NZ-OD2 2.95Å; D37-T56 PolarHBondContact N-O 3.08Å; D37-T56 PolarHBondContact O-N 3.13Å; D37-T56 PolarHBondContact OD2-OG1 2.96Å
38C97.4Very high95.7Very high12 Ų1269.1 Ų69.18%0.08135%0.354CS..EExtended strand (participates in β ladder)trans-155.5123.6179.4-179.80000108.4E22 R26 L35 F54E22-C38 PolarHBondContact O-SG 2.89Å; E22-C38 VanDerWaalsContact O-SG 3.34Å; R26-C38 HydrophobicContact CB-CB 4.36Å; L35-C38 HydrophobicContact CD1-CB 4.29Å; C38-F54 WeakPolarHBondContact CA-O 3.5Å
39V97Very high95.6Very high40 Ų4066.8 Ų66.824%0.24235%0.345CS..EExtended strand (participates in β ladder)trans-143.5134.3-175.6600000111.5E22 M41 G53 F54E22-V39 WeakPolarHBondContact OE1-CA 3.33Å; V39-M41 HydrophobicContact CG1-SD 4.41Å; V39-M41 HydrophobicContact CG2-SD 4.03Å; V39-G53 CarbonylContact O-C 3.57Å; V39-G53 WeakPolarHBondContact O-CA 3.37Å; V39-F54 HydrophobicContact CG1-CB 3.98Å; V39-F54 HydrophobicContact CG1-CD2 4.28Å; V39-F54 PolarHBondContact N-O 3.31Å; V39-F54 PolarHBondContact O-N 3.06Å
40V97.3Very high95.4Very high3 Ų373.3 Ų73.32%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-103.9114.7172.9174.50000108L16 T20 E22 L25 R42L16-V40 HydrophobicContact CD1-CG1 4.31Å; L16-V40 HydrophobicContact CD1-CG2 4.2Å; T20-V40 HydrophobicContact CG2-CG2 4.3Å; E22-V40 HydrophobicContact CG-CB 3.92Å; E22-V40 HydrophobicContact CG-CG2 3.82Å; E22-V40 VanDerWaalsContact CG-N 3.31Å; E22-V40 PolarHBondContact OE1-N 3.33Å; L25-V40 HydrophobicContact CB-CG2 4.34Å; L25-V40 HydrophobicContact CD2-CG2 3.79Å; V40-R42 HydrophobicContact CG1-CG 4.45Å; V40-R42 PolarHBondContact O-N 3.04Å
41M96.5Very high95.3Very high57 Ų5770.2 Ų70.228%0.28136%0.359SS..EExtended strand (participates in β ladder)trans-70112.4-174.2-63.8-55.6-59.100109.8V39 R50 F52 F54V39-M41 HydrophobicContact CG1-SD 4.41Å; V39-M41 HydrophobicContact CG2-SD 4.03Å; M41-R50 WeakPolarHBondContact O-CB 3.44Å; M41-R50 WeakPolarHBondContact O-CG 3.08Å; M41-R50 PolarHBondContact O-N 2.81Å; M41-F52 HydrophobicContact CB-CD1 4.47Å; M41-F52 HydrophobicContact CB-CD2 4.03Å; M41-F52 HydrophobicContact CB-CE1 4.16Å; M41-F52 HydrophobicContact CB-CE2 3.72Å; M41-F52 HydrophobicContact CB-CG 4.41Å; M41-F52 HydrophobicContact CB-CZ 3.78Å; M41-F52 WeakPolarHBondContact CB-O 3.16Å; M41-F52 HydrophobicContact CG-CD2 3.83Å; M41-F52 HydrophobicContact CG-CE2 3.45Å; M41-F52 VanDerWaalsContact CG-CE2 3.45Å; M41-F52 HydrophobicContact CG-CZ 3.98Å; M41-F52 PolarHBondContact N-O 3.44Å; M41-F54 HydrophobicContact CG-CD2 4.25Å; M41-F54 HydrophobicContact CG-CE2 4.17Å; M41-F54 HydrophobicContact SD-CD2 4.44Å; M41-F54 HydrophobicContact SD-CE2 4.5Å
42R96Very high95.3Very high89 Ų8966.2 Ų66.234%0.33634%0.34SS..EExtended strand (participates in β ladder)trans-107.6154.9-179.3-73.8164.5-177.3-82.8-6.1111.1T20 V40 K47 R48T20-R42 PolarHBondContact O-NH2 2.97Å; V40-R42 HydrophobicContact CG1-CG 4.45Å; V40-R42 PolarHBondContact O-N 3.04Å; R42-K47 WeakPolarHBondContact CD-O 3.33Å; R42-K47 WeakPolarHBondContact CG-O 3.46Å; R42-K47 PolarHBondContact NH1-O 2.97Å; R42-R48 CarbonylContact C-O 3.47Å; R42-R48 VanDerWaalsContact CA-O 3.28Å; R42-R48 WeakPolarHBondContact CA-O 3.41Å
43D92.3Very high95.3Very high60 Ų6063.9 Ų63.932%0.32133%0.331SS..  trans-67.5128.6170.7171.4-116.5000110.1A45 S46 K47 R48D43-A45 VanDerWaalsContact C-N 3.26Å; D43-A45 PolarHBondContact O-N 3.38Å; D43-A45 PolarHBondContact OD1-N 3.47Å; D43-S46 WeakPolarHBondContact CB-OG 3.45Å; D43-S46 VanDerWaalsContact OD1-CB 3.3Å; D43-S46 WeakPolarHBondContact OD1-CB 3.49Å; D43-S46 PolarHBondContact OD1-N 2.83Å; D43-S46 PolarHBondContact OD1-OG 3.27Å; D43-K47 VanDerWaalsContact O-CA 3.28Å; D43-K47 WeakPolarHBondContact O-CA 3.37Å; D43-K47 PolarHBondContact O-N 2.9Å; D43-R48 PolarHBondContact N-O 2.95Å
44P92.7Very high95.4Very high104 Ų10465.2 Ų65.268%0.67533%0.332SS*.THydrogen-bonded Turntrans-59.8-31-174.9-27.836.4000114.9K47P44-K47 WeakPolarHBondContact O-CE 3.47Å; P44-K47 PolarHBondContact O-NZ 3.37Å
45A94Very high95.4Very high88 Ų8858 Ų5873%0.72730%0.301SS*.THydrogen-bonded Turntrans-87.8-58-176.800000112.2D43D43-A45 VanDerWaalsContact C-N 3.26Å; D43-A45 PolarHBondContact O-N 3.38Å; D43-A45 PolarHBondContact OD1-N 3.47Å
46S93.5Very high95.4Very high76 Ų7657.7 Ų57.753%0.53130%0.299SS..THydrogen-bonded Turntrans-84.2-11.1-174.366.90000114.9D43 R48D43-S46 WeakPolarHBondContact CB-OG 3.45Å; D43-S46 VanDerWaalsContact OD1-CB 3.3Å; D43-S46 WeakPolarHBondContact OD1-CB 3.49Å; D43-S46 PolarHBondContact OD1-N 2.83Å; D43-S46 PolarHBondContact OD1-OG 3.27Å; S46-R48 PolarHBondContact O-N 3.07Å
47K91.3Very high95.5Very high137 Ų13754.2 Ų54.260%0.59628%0.278SS*.  trans58.74.1-175-48.8-53.1-174.1-169.10115.8R42 D43 P44R42-K47 WeakPolarHBondContact CD-O 3.33Å; R42-K47 WeakPolarHBondContact CG-O 3.46Å; R42-K47 PolarHBondContact NH1-O 2.97Å; D43-K47 VanDerWaalsContact O-CA 3.28Å; D43-K47 WeakPolarHBondContact O-CA 3.37Å; D43-K47 PolarHBondContact O-N 2.9Å; P44-K47 WeakPolarHBondContact O-CE 3.47Å; P44-K47 PolarHBondContact O-NZ 3.37Å
48R91.7Very high95.5Very high174 Ų17453.8 Ų53.866%0.65728%0.279SS*.  trans-61.9139.8173.3-172.4179.9-74-163.8-3.1109.8R42 D43 S46R42-R48 CarbonylContact C-O 3.47Å; R42-R48 VanDerWaalsContact CA-O 3.28Å; R42-R48 WeakPolarHBondContact CA-O 3.41Å; D43-R48 PolarHBondContact N-O 2.95Å; S46-R48 PolarHBondContact O-N 3.07Å
49S94.1Very high95.4Very high4 Ų454.7 Ų54.73%0.02829%0.286CS..EExtended strand (participates in β ladder)trans-58.2140.3170.7168.50000110.4S17 F18 G51S17-S49 PolarHBondContact O-OG 2.75Å; F18-S49 WeakPolarHBondContact CD1-O 3.34Å; F18-S49 VanDerWaalsContact O-CB 3.32Å; F18-S49 WeakPolarHBondContact O-CB 3.49Å; S49-G51 PolarHBondContact OG-N 3.41Å; S49-G51 VanDerWaalsContact OG-N 3.1Å
50R94.8Very high95.2Very high138 Ų13854.9 Ų54.952%0.52129%0.285SS..EExtended strand (participates in β ladder)trans-87.17.4174.1-60.9171.160.7-169.5-3.5112.2M41 F52M41-R50 WeakPolarHBondContact O-CB 3.44Å; M41-R50 WeakPolarHBondContact O-CG 3.08Å; M41-R50 PolarHBondContact O-N 2.81Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 HydrophobicContact CB-CD1 3.88Å; R50-F52 HydrophobicContact CB-CE1 3.7Å; R50-F52 PolarHBondContact O-N 3.43Å
51G95.2Very high95.1Very high13 Ų1358 Ų5813%0.13431%0.311CS..EExtended strand (participates in β ladder)trans74.915.9-178.800000114.3G15 L16 S49G15-G51 PolarHBondContact N-O 3.38Å; L16-G51 PolarHBondContact N-O 3.32Å; S49-G51 PolarHBondContact OG-N 3.41Å; S49-G51 VanDerWaalsContact OG-N 3.1Å
52F96.6Very high95.2Very high42 Ų4256.8 Ų56.818%0.18430%0.304CS..EExtended strand (participates in β ladder)trans-149.7161.3173.574.6-85.3000112.6F12 I13 M41 R50 F54F12-F52 HydrophobicContact CD2-CD2 4.08Å; F12-F52 HydrophobicContact CE2-CB 3.86Å; F12-F52 AromaticContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CD2 3.44Å; F12-F52 VanDerWaalsContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CE2 4.15Å; F12-F52 AromaticContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CZ-CB 3.94Å; F12-F52 HydrophobicContact CZ-CD2 4.33Å; F12-F52 HydrophobicContact CZ-CG 4.31Å; I13-F52 CarbonylContact O-C 3.45Å; I13-F52 WeakPolarHBondContact O-CA 3.29Å; I13-F52 WeakPolarHBondContact O-CB 3.07Å; M41-F52 HydrophobicContact CB-CD1 4.47Å; M41-F52 HydrophobicContact CB-CD2 4.03Å; M41-F52 HydrophobicContact CB-CE1 4.16Å; M41-F52 HydrophobicContact CB-CE2 3.72Å; M41-F52 HydrophobicContact CB-CG 4.41Å; M41-F52 HydrophobicContact CB-CZ 3.78Å; M41-F52 WeakPolarHBondContact CB-O 3.16Å; M41-F52 HydrophobicContact CG-CD2 3.83Å; M41-F52 HydrophobicContact CG-CE2 3.45Å; M41-F52 VanDerWaalsContact CG-CE2 3.45Å; M41-F52 HydrophobicContact CG-CZ 3.98Å; M41-F52 PolarHBondContact N-O 3.44Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 HydrophobicContact CB-CD1 3.88Å; R50-F52 HydrophobicContact CB-CE1 3.7Å; R50-F52 PolarHBondContact O-N 3.43Å; F52-F54 HydrophobicContact CD2-CE2 4.38Å; F52-F54 HydrophobicContact CE2-CE2 4.12Å
53G97Very high95.2Very high0 Ų052.5 Ų52.50%029%0.288CS..EExtended strand (participates in β ladder)trans-152.9-174.3178.500000112.3I13 V39I13-G53 PolarHBondContact N-O 3.22Å; I13-G53 PolarHBondContact O-N 2.84Å; V39-G53 CarbonylContact O-C 3.57Å; V39-G53 WeakPolarHBondContact O-CA 3.37Å
54F97.8Very high95.4Very high44 Ų4451.9 Ų51.919%0.19329%0.285CS..EExtended strand (participates in β ladder)trans-134.2145.3170.9-61.9-92.6000110.5K10 L11 F12 C38 V39 M41 F52 A84K10-F54 HydrophobicContact CD-CD1 4.46Å; K10-F54 HydrophobicContact CG-CB 4.46Å; K10-F54 HydrophobicContact CG-CD1 4.44Å; L11-F54 VanDerWaalsContact O-CA 3.22Å; L11-F54 WeakPolarHBondContact O-CA 3.32Å; F12-F54 HydrophobicContact CB-CD1 4.08Å; F12-F54 HydrophobicContact CB-CE1 3.82Å; F12-F54 AromaticContact CD2-CE1 3.88Å; F12-F54 HydrophobicContact CD2-CE1 3.88Å; F12-F54 AromaticContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CG-CE1 4.36Å; C38-F54 WeakPolarHBondContact CA-O 3.5Å; V39-F54 HydrophobicContact CG1-CB 3.98Å; V39-F54 HydrophobicContact CG1-CD2 4.28Å; V39-F54 PolarHBondContact N-O 3.31Å; V39-F54 PolarHBondContact O-N 3.06Å; M41-F54 HydrophobicContact CG-CD2 4.25Å; M41-F54 HydrophobicContact CG-CE2 4.17Å; M41-F54 HydrophobicContact SD-CD2 4.44Å; M41-F54 HydrophobicContact SD-CE2 4.5Å; F52-F54 HydrophobicContact CD2-CE2 4.38Å; F52-F54 HydrophobicContact CE2-CE2 4.12Å; F54-A84 HydrophobicContact CD1-CB 4.29Å; F54-A84 HydrophobicContact CE1-CB 4.29Å
55V97.9Very high95.6Very high0 Ų049 Ų490%027%0.27CS..EExtended strand (participates in β ladder)trans-126.3142.2169.4-60.60000109.5K10 L11 I13 L25 Y29 L35 F57K10-V55 CarbonylContact C-O 3.42Å; K10-V55 WeakPolarHBondContact CA-O 3.3Å; L11-V55 HydrophobicContact CB-CG2 3.95Å; L11-V55 HydrophobicContact CD1-CG2 4.48Å; L11-V55 PolarHBondContact N-O 3.38Å; L11-V55 PolarHBondContact O-N 2.73Å; L11-V55 VanDerWaalsContact O-N 3.08Å; I13-V55 HydrophobicContact CD1-CG2 4Å; I13-V55 HydrophobicContact CG1-CG1 4.4Å; I13-V55 HydrophobicContact CG1-CG2 4.17Å; L25-V55 HydrophobicContact CD1-CG1 4.34Å; L25-V55 HydrophobicContact CD2-CG1 3.93Å; L25-V55 HydrophobicContact CG-CG1 3.8Å; Y29-V55 HydrophobicContact CD1-CG2 4.41Å; Y29-V55 HydrophobicContact CD2-CG1 3.83Å; Y29-V55 HydrophobicContact CD2-CG2 4.12Å; Y29-V55 HydrophobicContact CG-CG1 4.3Å; Y29-V55 HydrophobicContact CG-CG2 4.05Å; L35-V55 HydrophobicContact CD1-CB 4.12Å; L35-V55 HydrophobicContact CD1-CG1 4.11Å; L35-V55 HydrophobicContact CD2-CB 3.9Å; L35-V55 HydrophobicContact CD2-CG2 4.41Å; V55-F57 HydrophobicContact CG2-CE2 3.94Å
56T97.7Very high95.8Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-127.9106-176.3-42.30000110.5E6 R9 K10 L35 T36 D37E6-T56 HydrophobicContact CG-CG2 3.64Å; R9-T56 HydrophobicContact CB-CG2 4.44Å; R9-T56 CarbonylContact O-C 3.58Å; R9-T56 WeakPolarHBondContact O-CA 3.49Å; K10-T56 HydrophobicContact CB-CG2 4.2Å; K10-T56 HydrophobicContact CG-CG2 4.4Å; K10-T56 PolarHBondContact NZ-OG1 3.3Å; L35-T56 CarbonylContact C-O 3.58Å; L35-T56 WeakPolarHBondContact CA-O 3.33Å; T36-T56 PolarHBondContact N-O 2.82Å; T36-T56 PolarHBondContact OG1-O 2.86Å; D37-T56 PolarHBondContact N-O 3.08Å; D37-T56 PolarHBondContact O-N 3.13Å; D37-T56 PolarHBondContact OD2-OG1 2.96Å
57F97.9Very high95.9Very high0 Ų041.2 Ų41.20%021%0.21CC..EExtended strand (participates in β ladder)trans-72.9172.7-179.9-75-85.1000112.9R9 L11 Y29 W32 K34 L35 T36 V55 E62 V63 A66R9-F57 PolarHBondContact NH1-O 3.36Å; R9-F57 PolarHBondContact O-N 3.19Å; L11-F57 HydrophobicContact CD1-CE2 4.19Å; Y29-F57 HydrophobicContact CD1-CE2 4.42Å; Y29-F57 HydrophobicContact CD1-CZ 4.07Å; Y29-F57 HydrophobicContact CG-CZ 4.44Å; Y29-F57 WeakPolarHBondContact O-CE1 3.46Å; Y29-F57 WeakPolarHBondContact O-CZ 3.34Å; W32-F57 HydrophobicContact CB-CE1 4.18Å; W32-F57 HydrophobicContact CB-CZ 4.39Å; K34-F57 CarbonylContact O-C 3.5Å; K34-F57 WeakPolarHBondContact O-CA 3.47Å; L35-F57 HydrophobicContact CD2-CD1 3.66Å; L35-F57 HydrophobicContact CD2-CD2 3.88Å; L35-F57 HydrophobicContact CD2-CE1 3.66Å; L35-F57 HydrophobicContact CD2-CE2 3.89Å; L35-F57 HydrophobicContact CD2-CG 3.79Å; L35-F57 HydrophobicContact CD2-CZ 3.79Å; T36-F57 PolarHBondContact OG1-O 3.22Å; V55-F57 HydrophobicContact CG2-CE2 3.94Å; F57-E62 HydrophobicContact CB-CB 3.87Å; F57-E62 HydrophobicContact CD1-CB 3.5Å; F57-E62 VanDerWaalsContact CD1-CB 3.5Å; F57-E62 HydrophobicContact CD1-CG 4.43Å; F57-E62 HydrophobicContact CE1-CB 4.24Å; F57-E62 HydrophobicContact CG-CB 3.85Å; F57-V63 HydrophobicContact CB-CG2 4.02Å; F57-V63 HydrophobicContact CD2-CG2 3.78Å; F57-V63 HydrophobicContact CG-CG2 4.22Å; F57-A66 HydrophobicContact CE2-CB 4.03Å; F57-A66 HydrophobicContact CZ-CB 3.86Å
58S96.1Very high96.1Very high49 Ų4938.8 Ų38.834%0.34322%0.216SC..SBendtrans-81.6-24.3179.783.80000113.1R9 K34 E62R9-S58 WeakPolarHBondContact CD-O 3.42Å; R9-S58 PolarHBondContact NH1-O 3.45Å; K34-S58 PolarHBondContact O-N 3.41Å; S58-E62 VanDerWaalsContact CA-OE2 3.29Å; S58-E62 WeakPolarHBondContact CA-OE2 3.31Å; S58-E62 WeakPolarHBondContact CB-OE2 3.33Å; S58-E62 PolarHBondContact N-OE2 3.01Å; S58-E62 VanDerWaalsContact OG-CD 3.27Å; S58-E62 PolarHBondContact OG-OE1 2.97Å; S58-E62 PolarHBondContact OG-OE2 2.7Å
59S95.3Very high96.4Very high31 Ų3132.6 Ų32.622%0.21720%0.201CC..SBendtrans-141.9164.3179.364.60000112.8E4 R9 A61 E62E4-S59 WeakPolarHBondContact OE2-CA 3.22Å; R9-S59 VanDerWaalsContact CD-CA 3.45Å; S59-A61 VanDerWaalsContact C-N 3.33Å; S59-E62 PolarHBondContact N-OE2 3.13Å; S59-E62 VanDerWaalsContact OG-CG 3.3Å; S59-E62 WeakPolarHBondContact OG-CG 3.42Å; S59-E62 PolarHBondContact OG-N 2.88Å; S59-E62 PolarHBondContact OG-OE2 2.9Å
60M94.5Very high96.5Very high44 Ų4435.7 Ų35.722%0.21721%0.213CC..Hα-helixtrans-68.7-30.9171.7-166.8-162.9-52.300111.9E4 F8 E62 V63 D64E4-M60 WeakPolarHBondContact OE1-CB 3.35Å; E4-M60 PolarHBondContact OE2-N 3.22Å; F8-M60 HydrophobicContact CB-CE 4.01Å; F8-M60 HydrophobicContact CD1-CE 4.07Å; F8-M60 HydrophobicContact CG-CE 4.15Å; M60-E62 VanDerWaalsContact C-N 3.31Å; M60-E62 PolarHBondContact O-N 2.93Å; M60-V63 WeakPolarHBondContact O-CA 3.45Å; M60-V63 WeakPolarHBondContact O-CB 3.32Å; M60-V63 PolarHBondContact O-N 3.25Å; M60-V63 VanDerWaalsContact O-N 3.07Å; M60-D64 PolarHBondContact O-N 3.38Å
61A95.4Very high96.6Very high69 Ų6934.6 Ų34.657%0.5722%0.223SC*.Hα-helixtrans-62.4-36.1179.400000112.8S59 D64 A65S59-A61 VanDerWaalsContact C-N 3.33Å; A61-D64 PolarHBondContact O-N 2.62Å; A61-A65 WeakPolarHBondContact O-CB 3.3Å; A61-A65 PolarHBondContact O-N 3.48Å
62E97.1Very high96.7Very high30 Ų3034 Ų3414%0.1422%0.217CC..Hα-helixtrans-69.7-33.5173.8-63.816212700111.8G33 K34 F57 S58 S59 M60 A66G33-E62 WeakPolarHBondContact CA-OE1 3.22Å; K34-E62 PolarHBondContact N-OE1 3.43Å; F57-E62 HydrophobicContact CB-CB 3.87Å; F57-E62 HydrophobicContact CD1-CB 3.5Å; F57-E62 VanDerWaalsContact CD1-CB 3.5Å; F57-E62 HydrophobicContact CD1-CG 4.43Å; F57-E62 HydrophobicContact CE1-CB 4.24Å; F57-E62 HydrophobicContact CG-CB 3.85Å; S58-E62 VanDerWaalsContact CA-OE2 3.29Å; S58-E62 WeakPolarHBondContact CA-OE2 3.31Å; S58-E62 WeakPolarHBondContact CB-OE2 3.33Å; S58-E62 PolarHBondContact N-OE2 3.01Å; S58-E62 VanDerWaalsContact OG-CD 3.27Å; S58-E62 PolarHBondContact OG-OE1 2.97Å; S58-E62 PolarHBondContact OG-OE2 2.7Å; S59-E62 PolarHBondContact N-OE2 3.13Å; S59-E62 VanDerWaalsContact OG-CG 3.3Å; S59-E62 WeakPolarHBondContact OG-CG 3.42Å; S59-E62 PolarHBondContact OG-N 2.88Å; S59-E62 PolarHBondContact OG-OE2 2.9Å; M60-E62 VanDerWaalsContact C-N 3.31Å; M60-E62 PolarHBondContact O-N 2.93Å; E62-A66 WeakPolarHBondContact O-CB 3.25Å; E62-A66 PolarHBondContact O-N 3.41Å
63V97Very high96.7Very high0 Ų034.8 Ų34.80%023%0.227CC..Hα-helixtrans-63.8-46.2170.3176.80000110.9R9 L11 F57 M60 A65 A66 M67R9-V63 WeakPolarHBondContact O-CG2 3.44Å; L11-V63 HydrophobicContact CD1-CG1 4.4Å; L11-V63 HydrophobicContact CD2-CG1 3.56Å; L11-V63 HydrophobicContact CG-CG1 3.94Å; F57-V63 HydrophobicContact CB-CG2 4.02Å; F57-V63 HydrophobicContact CD2-CG2 3.78Å; F57-V63 HydrophobicContact CG-CG2 4.22Å; M60-V63 WeakPolarHBondContact O-CA 3.45Å; M60-V63 WeakPolarHBondContact O-CB 3.32Å; M60-V63 PolarHBondContact O-N 3.25Å; M60-V63 VanDerWaalsContact O-N 3.07Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.98Å; V63-A66 PolarHBondContact O-N 3.21Å; V63-M67 HydrophobicContact CG1-CG 4.24Å; V63-M67 WeakPolarHBondContact O-CB 3.18Å; V63-M67 WeakPolarHBondContact O-CG 3.28Å; V63-M67 PolarHBondContact O-N 2.77Å
64D96Very high96.6Very high46 Ų4635 Ų3525%0.24623%0.228CC..Hα-helixtrans-61.6-41.8178.3-71.8-6.1000111.1M60 A61 M67 A68 R83 K156M60-D64 PolarHBondContact O-N 3.38Å; A61-D64 PolarHBondContact O-N 2.62Å; D64-M67 PolarHBondContact O-N 3.37Å; D64-A68 VanDerWaalsContact O-CB 3.3Å; D64-A68 WeakPolarHBondContact O-CB 3.41Å; D64-A68 PolarHBondContact O-N 2.89Å; D64-R83 IonicContact OD1-CZ 2.7Å; D64-R83 IonicContact OD1-NH1 2.71Å; D64-R83 PolarHBondContact OD1-NH1 2.76Å; D64-R83 IonicContact OD1-NH2 3.18Å; D64-R83 PolarHBondContact OD1-NH2 2.78Å; D64-K156 IonicContact OD1-NZ 2.74Å; D64-K156 IonicContact OD2-NZ 2.69Å; D64-K156 PolarHBondContact OD2-NZ 3.02Å
65A96.8Very high96.5Very high44 Ų4436.3 Ų36.336%0.36424%0.237SC..Hα-helixtrans-62.3-44.4174.100000112.5A61 V63 A68 A69A61-A65 WeakPolarHBondContact O-CB 3.3Å; A61-A65 PolarHBondContact O-N 3.48Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.98Å; A65-A68 PolarHBondContact O-N 2.93Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 2.91Å
66A97.6Very high96.3Very high0 Ų040.1 Ų40.10%028%0.277CS..Hα-helixtrans-65.5-36.5175.400000112.3L11 Y29 W32 F57 E62 V63 H72L11-A66 HydrophobicContact CD1-CB 4.28Å; Y29-A66 HydrophobicContact CD1-CB 4.44Å; W32-A66 HydrophobicContact CB-CB 4.04Å; W32-A66 HydrophobicContact CD2-CB 4.02Å; W32-A66 HydrophobicContact CE3-CB 4.12Å; W32-A66 HydrophobicContact CG-CB 3.99Å; F57-A66 HydrophobicContact CE2-CB 4.03Å; F57-A66 HydrophobicContact CZ-CB 3.86Å; E62-A66 WeakPolarHBondContact O-CB 3.25Å; E62-A66 PolarHBondContact O-N 3.41Å; V63-A66 PolarHBondContact O-N 3.21Å; A66-H72 PolarHBondContact O-CE1 2.92Å; A66-H72 PolarHBondContact O-NE2 3.49Å
67M96.8Very high96.2Very high1 Ų145.6 Ų45.61%0.00530%0.298CS..Hα-helixtrans-76.1-30.2177.2-70.4-57.1-72.500113L11 V63 D64 A69 R70 P81 D152L11-M67 HydrophobicContact CD1-CG 4.32Å; L11-M67 HydrophobicContact CD1-SD 3.96Å; L11-M67 HydrophobicContact CD2-CG 3.9Å; L11-M67 HydrophobicContact CD2-SD 3.68Å; L11-M67 HydrophobicContact CG-SD 4.5Å; V63-M67 HydrophobicContact CG1-CG 4.24Å; V63-M67 WeakPolarHBondContact O-CB 3.18Å; V63-M67 WeakPolarHBondContact O-CG 3.28Å; V63-M67 PolarHBondContact O-N 2.77Å; D64-M67 PolarHBondContact O-N 3.37Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-R70 PolarHBondContact O-NE 2.67Å; M67-R70 PolarHBondContact O-NH2 2.73Å; M67-R70 VanDerWaalsContact O-NH2 3.1Å; M67-P81 WeakPolarHBondContact CE-O 3.37Å; M67-P81 HydrophobicContact SD-CB 3.8Å; M67-P81 HydrophobicContact SD-CG 4.06Å; M67-D152 WeakPolarHBondContact CB-OD2 3.15Å; M67-D152 HydrophobicContact CE-CB 3.83Å; M67-D152 WeakPolarHBondContact CE-OD1 3.16Å
68A95.9Very high96.2Very high86 Ų8650.4 Ų50.471%0.71133%0.327SS*.Hα-helixtrans-68.8-28.7173.500000112.8D64 A65 R70D64-A68 VanDerWaalsContact O-CB 3.3Å; D64-A68 WeakPolarHBondContact O-CB 3.41Å; D64-A68 PolarHBondContact O-N 2.89Å; A65-A68 PolarHBondContact O-N 2.93Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 2.81Å
69A96.8Very high96.3Very high43 Ų4348.3 Ų48.336%0.35531%0.312SS..THydrogen-bonded Turntrans-87.113.7-177.400000115.2W32 A65 M67 H72W32-A69 HydrophobicContact CZ2-CB 3.62Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 2.91Å; M67-A69 VanDerWaalsContact C-N 3.31Å; A69-H72 VanDerWaalsContact C-CE1 3.41Å; A69-H72 PolarHBondContact O-CE1 2.88Å; A69-H72 PolarHBondContact O-ND1 2.87Å
70R96.4Very high96.3Very high70 Ų7052.2 Ų52.226%0.26433%0.327SS..PPolyproline II helixtrans-61.1153.4173-85.1175-72.115511.9111.6M67 A68 P81 D150 H151M67-R70 PolarHBondContact O-NE 2.67Å; M67-R70 PolarHBondContact O-NH2 2.73Å; M67-R70 VanDerWaalsContact O-NH2 3.1Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 2.81Å; R70-P81 HydrophobicContact CG-CG 3.59Å; R70-D150 IonicContact CZ-OD2 2.73Å; R70-D150 VanDerWaalsContact NH1-CG 3.27Å; R70-D150 IonicContact NH1-OD1 3.53Å; R70-D150 PolarHBondContact NH1-OD1 2.71Å; R70-D150 IonicContact NH1-OD2 3.18Å; R70-D150 PolarHBondContact NH1-OD2 3.45Å; R70-D150 IonicContact NH2-OD2 2.74Å; R70-D150 PolarHBondContact NH2-OD2 2.74Å; R70-H151 PolarHBondContact NH1-NE2 2.72Å
71P96.5Very high96.4Very high114 Ų11450.4 Ų50.474%0.7432%0.318SS*.SBendcis-83.1147.40.133.3-35.1000113
72H97.4Very high96.4Very high2 Ų248.5 Ų48.51%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-97.4148179.9-69.2-30.7000112.2Y28 Y29 W32 A66 A69 V78 V79Y28-H72 HydrophobicContact CE1-CB 3.85Å; Y28-H72 AromaticContact CE1-CG 3.87Å; Y28-H72 WeakPolarHBondContact OH-CA 3.11Å; Y28-H72 PolarHBondContact OH-ND1 2.77Å; Y29-H72 AromaticContact CE1-CD2 3.66Å; Y29-H72 AromaticContact CE1-NE2 3.99Å; Y29-H72 AromaticContact CZ-CD2 3.9Å; Y29-H72 PolarHBondContact OH-CD2 2.86Å; Y29-H72 VanDerWaalsContact OH-CD2 3.3Å; W32-H72 AromaticContact CH2-CE1 3.11Å; W32-H72 WeakPolarHBondContact CH2-CE1 3.28Å; W32-H72 AromaticContact CH2-ND1 3.34Å; W32-H72 VanDerWaalsContact CH2-ND1 3.34Å; W32-H72 WeakPolarHBondContact CH2-ND1 3.46Å; W32-H72 AromaticContact CH2-NE2 3.76Å; W32-H72 AromaticContact CZ2-CE1 3.2Å; W32-H72 WeakPolarHBondContact CZ2-CE1 3.2Å; W32-H72 AromaticContact CZ2-ND1 3.74Å; W32-H72 AromaticContact CZ3-CE1 3.95Å; A66-H72 PolarHBondContact O-CE1 2.92Å; A66-H72 PolarHBondContact O-NE2 3.49Å; A69-H72 VanDerWaalsContact C-CE1 3.41Å; A69-H72 PolarHBondContact O-CE1 2.88Å; A69-H72 PolarHBondContact O-ND1 2.87Å; H72-V78 CarbonylContact O-C 3.49Å; H72-V78 VanDerWaalsContact O-CA 3.31Å; H72-V78 WeakPolarHBondContact O-CA 3.39Å; H72-V79 HydrophobicContact CB-CG2 3.51Å; H72-V79 PolarHBondContact O-N 2.8Å
73S96.9Very high96.3Very high57 Ų5747.6 Ų47.640%0.39929%0.292SS..EExtended strand (participates in β ladder)trans-136.6119.9176.8-171.20000110Y28 R77Y28-S73 WeakPolarHBondContact CE2-O 3.34Å; Y28-S73 PolarHBondContact OH-N 3.49Å; Y28-S73 VanDerWaalsContact OH-N 3.09Å; Y28-S73 PolarHBondContact OH-O 3.2Å; S73-R77 CarbonylContact C-O 3.42Å; S73-R77 WeakPolarHBondContact CA-O 3.33Å
74I96Very high96.2Very high4 Ų447.7 Ų47.72%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-129.9131-173-47.9-175000107.7T20 L25 Y28 Y29 G76 R77 V79T20-I74 HydrophobicContact CG2-CG2 4.42Å; L25-I74 HydrophobicContact CD1-CD1 3.76Å; Y28-I74 HydrophobicContact CD1-CD1 3.41Å; Y28-I74 VanDerWaalsContact CD1-CD1 3.41Å; Y28-I74 HydrophobicContact CD1-CG1 3.55Å; Y28-I74 HydrophobicContact CD2-CG1 4.18Å; Y28-I74 HydrophobicContact CE1-CD1 3.83Å; Y28-I74 HydrophobicContact CE1-CG1 3.67Å; Y28-I74 HydrophobicContact CE2-CG1 4.3Å; Y28-I74 HydrophobicContact CG-CD1 3.95Å; Y28-I74 HydrophobicContact CG-CG1 3.81Å; Y29-I74 HydrophobicContact CD2-CD1 4.15Å; Y29-I74 HydrophobicContact CE2-CD1 3.45Å; Y29-I74 VanDerWaalsContact CE2-CD1 3.45Å; I74-G76 PolarHBondContact O-N 2.94Å; I74-R77 PolarHBondContact N-O 3.46Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-V79 HydrophobicContact CB-CG1 4.11Å; I74-V79 HydrophobicContact CD1-CG1 4.28Å; I74-V79 HydrophobicContact CD1-CG2 3.89Å; I74-V79 HydrophobicContact CG1-CG1 4.06Å; I74-V79 HydrophobicContact CG1-CG2 3.99Å
75D94.8Very high95.9Very high72 Ų7246.8 Ų46.839%0.38529%0.289SS..THydrogen-bonded Turntrans49.543.3-178.6-50.7-42.6000113T20 S24 R77T20-D75 WeakPolarHBondContact CA-OD2 3.48Å; T20-D75 WeakPolarHBondContact CB-OD2 3.31Å; T20-D75 WeakPolarHBondContact CG2-OD2 3.03Å; T20-D75 PolarHBondContact OG1-OD2 2.84Å; S24-D75 WeakPolarHBondContact CB-OD1 3.47Å; S24-D75 PolarHBondContact OG-OD1 3.42Å; S24-D75 PolarHBondContact OG-OD2 2.97Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.1Å
76G94.1Very high95.4Very high81 Ų8145.5 Ų45.584%0.83528%0.279SS*.THydrogen-bonded Turntrans77.10.7-18000000115.8I74I74-G76 PolarHBondContact O-N 2.94Å
77R95.9Very high94.7Very high114 Ų11456 Ų5643%0.4332%0.319SS..EExtended strand (participates in β ladder)trans-117.9132.8-175.6-173.2168.9179.2167.44.3112G15 L16 S73 I74 D75 V79G15-R77 WeakPolarHBondContact O-CD 3.44Å; G15-R77 WeakPolarHBondContact O-CG 3.3Å; G15-R77 PolarHBondContact O-NE 2.73Å; L16-R77 PolarHBondContact O-NH1 3.15Å; S73-R77 CarbonylContact C-O 3.42Å; S73-R77 WeakPolarHBondContact CA-O 3.33Å; I74-R77 PolarHBondContact N-O 3.46Å; I74-R77 PolarHBondContact O-N 2.93Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.1Å; R77-V79 WeakPolarHBondContact O-CG1 3.15Å; R77-V79 PolarHBondContact O-N 3.36Å
78V97Very high94.1Very high101 Ų10163.1 Ų63.161%0.61235%0.352SS*.EExtended strand (participates in β ladder)trans-67.7129.2171.4-179.20000109.6H72H72-V78 CarbonylContact O-C 3.49Å; H72-V78 VanDerWaalsContact O-CA 3.31Å; H72-V78 WeakPolarHBondContact O-CA 3.39Å
79V97.4Very high93.5Very high6 Ų661.4 Ų61.44%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-113.1153.7-175.5-54.90000111.7I13 G14 L16 H72 I74 R77 P81I13-V79 HydrophobicContact CG2-CB 3.93Å; I13-V79 HydrophobicContact CG2-CG2 3.87Å; G14-V79 WeakPolarHBondContact O-CA 3.15Å; G14-V79 WeakPolarHBondContact O-CB 3.45Å; L16-V79 HydrophobicContact CD2-CB 4.45Å; L16-V79 HydrophobicContact CD2-CG1 3.85Å; H72-V79 HydrophobicContact CB-CG2 3.51Å; H72-V79 PolarHBondContact O-N 2.8Å; I74-V79 HydrophobicContact CB-CG1 4.11Å; I74-V79 HydrophobicContact CD1-CG1 4.28Å; I74-V79 HydrophobicContact CD1-CG2 3.89Å; I74-V79 HydrophobicContact CG1-CG1 4.06Å; I74-V79 HydrophobicContact CG1-CG2 3.99Å; R77-V79 WeakPolarHBondContact O-CG1 3.15Å; R77-V79 PolarHBondContact O-N 3.36Å; V79-P81 WeakPolarHBondContact O-CD 3.48Å
80E95.4Very high92.8Very high113 Ų11361.2 Ų61.253%0.52833%0.325SS..EExtended strand (participates in β ladder)trans-104.490.4177.5-73.4-174.7-140.500110.8G14 K82G14-E80 PolarHBondContact N-O 2.66Å; G14-E80 PolarHBondContact O-N 2.96Å; E80-K82 WeakPolarHBondContact OE2-CE 3.41Å; E80-K82 IonicContact OE2-NZ 2.73Å; E80-K82 PolarHBondContact OE2-NZ 2.73Å
81P96.9Very high92.1Very high5 Ų561.3 Ų61.33%0.03235%0.348CS..EExtended strand (participates in β ladder)trans-73.1136.4169.236.1-39000109.8L11 F12 I13 M67 R70 V79L11-P81 HydrophobicContact CD1-CB 4.46Å; F12-P81 CarbonylContact O-C 3.6Å; F12-P81 WeakPolarHBondContact O-CA 3.36Å; I13-P81 HydrophobicContact CD1-CB 3.85Å; M67-P81 WeakPolarHBondContact CE-O 3.37Å; M67-P81 HydrophobicContact SD-CB 3.8Å; M67-P81 HydrophobicContact SD-CG 4.06Å; R70-P81 HydrophobicContact CG-CG 3.59Å; V79-P81 WeakPolarHBondContact O-CD 3.48Å
82K96Very high91.4Very high30 Ų3059.8 Ų59.813%0.1333%0.33CS..EExtended strand (participates in β ladder)trans-143.4150.8174.1-56-175.8-175.4170.50108.3L11 F12 E80 A84 T98L11-K82 CarbonylContact C-O 3.58Å; L11-K82 WeakPolarHBondContact CA-O 3.1Å; F12-K82 HydrophobicContact CD1-CB 4.44Å; F12-K82 PolarHBondContact N-O 3.1Å; F12-K82 PolarHBondContact O-N 2.85Å; F12-K82 VanDerWaalsContact O-O 3.14Å; E80-K82 WeakPolarHBondContact OE2-CE 3.41Å; E80-K82 IonicContact OE2-NZ 2.73Å; E80-K82 PolarHBondContact OE2-NZ 2.73Å; K82-A84 PolarHBondContact O-N 2.74Å; K82-T98 PolarHBondContact NZ-OG1 3.02Å
83R95.2Very high90.5Very high10 Ų1062.8 Ų62.84%0.03835%0.35CS..EExtended strand (participates in β ladder)trans-62.4136.5174.7-58.2-173.4-171.2-115-5.7109.4L11 D64 V85 D152 D155 L159L11-R83 HydrophobicContact CD2-CG 4.03Å; D64-R83 IonicContact OD1-CZ 2.7Å; D64-R83 IonicContact OD1-NH1 2.71Å; D64-R83 PolarHBondContact OD1-NH1 2.76Å; D64-R83 IonicContact OD1-NH2 3.18Å; D64-R83 PolarHBondContact OD1-NH2 2.78Å; R83-V85 PolarHBondContact O-N 3.27Å; R83-D152 WeakPolarHBondContact CG-OD1 3.43Å; R83-D152 IonicContact CZ-OD1 2.67Å; R83-D152 IonicContact CZ-OD2 3.53Å; R83-D152 IonicContact NE-OD1 3.45Å; R83-D152 PolarHBondContact NE-OD1 3.07Å; R83-D152 IonicContact NE-OD2 2.72Å; R83-D152 IonicContact NH2-OD1 3.51Å; R83-D152 PolarHBondContact NH2-OD1 3.31Å; R83-D152 IonicContact NH2-OD2 3.55Å; R83-D152 PolarHBondContact NH2-OD2 3.32Å; R83-D155 HydrophobicContact CB-CB 4.21Å; R83-D155 HydrophobicContact CG-CB 4.33Å; R83-L159 HydrophobicContact CB-CD1 4.37Å
84A94.2Very high89.8Confident2 Ų260.8 Ų60.82%0.01734%0.338CS..PPolyproline II helixtrans-63.9131.8-177.700000109.3Q7 K10 F54 K82Q7-A84 PolarHBondContact NE2-O 3.39Å; K10-A84 HydrophobicContact CB-CB 3.94Å; K10-A84 HydrophobicContact CD-CB 4.34Å; K10-A84 HydrophobicContact CG-CB 4Å; K10-A84 VanDerWaalsContact O-CB 3.25Å; K10-A84 WeakPolarHBondContact O-CB 3.24Å; K10-A84 PolarHBondContact O-N 2.69Å; F54-A84 HydrophobicContact CD1-CB 4.29Å; F54-A84 HydrophobicContact CE1-CB 4.29Å; K82-A84 PolarHBondContact O-N 2.74Å
85V90.3Very high89.2Confident27 Ų2761.4 Ų61.416%0.16434%0.344CS..PPolyproline II helixtrans-77.1137.8169.9-179.90000108.5Q7 R83 E89 A95 H96Q7-V85 PolarHBondContact NE2-O 3.46Å; R83-V85 PolarHBondContact O-N 3.27Å; V85-E89 HydrophobicContact CG1-CB 3.86Å; V85-A95 HydrophobicContact CG1-CB 3.91Å; V85-H96 VanDerWaalsContact CB-CE1 3.44Å; V85-H96 WeakPolarHBondContact CB-CE1 3.45Å
86A86.1Confident88.8Confident18 Ų1863.1 Ų63.115%0.14935%0.349CS..PPolyproline II helixtrans-62.3149.7175.700000111.4Q7 E88 E89 S90Q7-A86 VanDerWaalsContact CD-CA 3.5Å; Q7-A86 HydrophobicContact CG-CB 4.13Å; A86-E88 PolarHBondContact O-N 2.78Å; A86-E89 HydrophobicContact CB-CB 4.36Å; A86-E89 HydrophobicContact CB-CG 4.17Å; A86-E89 CarbonylContact O-C 3.57Å; A86-E89 WeakPolarHBondContact O-CA 3.3Å; A86-E89 PolarHBondContact O-N 3.42Å; A86-S90 PolarHBondContact O-N 2.94Å; A86-S90 PolarHBondContact O-OG 3.42Å
87R83.5Confident88.5Confident220 Ų22061.8 Ų61.883%0.8332%0.324SS*.Hα-helixtrans-64.1-33.6-172.8-173.4177.3178.3-179.8-1.2112.1E89R87-E89 PolarHBondContact O-N 3.36Å
88E83.8Confident88.3Confident150 Ų15059.5 Ų59.570%0.70132%0.323SS*.Hα-helixtrans-71.3-20.7176.1-56.166.4-143.100112A86A86-E88 PolarHBondContact O-N 2.78Å
89E82.6Confident88.2Confident51 Ų5155.8 Ų55.824%0.23830%0.301CS..Hα-helixtrans-100.5-24.6179.5-59.7-146130.300113.2V85 A86 R87 G91 K92 A95V85-E89 HydrophobicContact CG1-CB 3.86Å; A86-E89 HydrophobicContact CB-CB 4.36Å; A86-E89 HydrophobicContact CB-CG 4.17Å; A86-E89 CarbonylContact O-C 3.57Å; A86-E89 WeakPolarHBondContact O-CA 3.3Å; A86-E89 PolarHBondContact O-N 3.42Å; R87-E89 PolarHBondContact O-N 3.36Å; E89-G91 PolarHBondContact O-N 3.25Å; E89-G91 VanDerWaalsContact O-N 3.12Å; E89-K92 HydrophobicContact CB-CD 4.13Å; E89-K92 HydrophobicContact CG-CD 4.23Å; E89-K92 VanDerWaalsContact O-CB 3.22Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 WeakPolarHBondContact O-CG 3.45Å; E89-K92 PolarHBondContact O-N 3.3Å; E89-K92 IonicContact OE1-NZ 3.87Å; E89-K92 PolarHBondContact OE1-NZ 3.12Å; E89-A95 WeakPolarHBondContact O-CB 3.28Å
90S82.6Confident88.1Confident38 Ų3860.6 Ų60.627%0.26632%0.321SS..Hα-helixtrans-55.3-30.1176.7-72.20000113.8A86 K92 H96A86-S90 PolarHBondContact O-N 2.94Å; A86-S90 PolarHBondContact O-OG 3.42Å; S90-K92 VanDerWaalsContact C-N 3.32Å; S90-H96 WeakPolarHBondContact CA-NE2 3.17Å; S90-H96 WeakPolarHBondContact CB-NE2 3.44Å; S90-H96 PolarHBondContact O-NE2 3.13Å; S90-H96 PolarHBondContact OG-CE1 2.89Å; S90-H96 PolarHBondContact OG-NE2 2.78Å
91G80.9Confident88.2Confident73 Ų7358.2 Ų58.275%0.75331%0.309SS*.THydrogen-bonded Turntrans-81.7-2174.500000115E89E89-G91 PolarHBondContact O-N 3.25Å; E89-G91 VanDerWaalsContact O-N 3.12Å
92K82.3Confident88.1Confident82 Ų8258 Ų5836%0.35731%0.307SS..SBendtrans-82.5131.1174.4-60.1173.3-174.1-178.30108.7E89 S90 G94 A95E89-K92 HydrophobicContact CB-CD 4.13Å; E89-K92 HydrophobicContact CG-CD 4.23Å; E89-K92 VanDerWaalsContact O-CB 3.22Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 WeakPolarHBondContact O-CG 3.45Å; E89-K92 PolarHBondContact O-N 3.3Å; E89-K92 IonicContact OE1-NZ 3.87Å; E89-K92 PolarHBondContact OE1-NZ 3.12Å; S90-K92 VanDerWaalsContact C-N 3.32Å; K92-G94 PolarHBondContact O-N 3.26Å; K92-A95 HydrophobicContact CB-CB 4.37Å; K92-A95 VanDerWaalsContact O-CB 3.29Å; K92-A95 WeakPolarHBondContact O-CB 3.19Å; K92-A95 PolarHBondContact O-N 3.38Å; K92-A95 VanDerWaalsContact O-N 3.15Å
93P79.2Confident88.1Confident65 Ų6558.9 Ų58.942%0.42231%0.312SS..THydrogen-bonded Turntrans-60.8136.4173.927.8-35.3000109.6V184P93-V184 HydrophobicContact CB-CG2 3.49Å; P93-V184 VanDerWaalsContact CB-CG2 3.49Å; P93-V184 HydrophobicContact CG-CB 4.21Å; P93-V184 HydrophobicContact CG-CG1 3.79Å; P93-V184 HydrophobicContact CG-CG2 3.4Å; P93-V184 VanDerWaalsContact CG-CG2 3.4Å
94G80.7Confident88.2Confident15 Ų1558.4 Ų58.416%0.15531%0.31CS..THydrogen-bonded Turntrans91.3-14.4-174.600000116.3K92 H96 V97K92-G94 PolarHBondContact O-N 3.26Å; G94-H96 PolarHBondContact O-N 2.93Å; G94-V97 WeakPolarHBondContact O-CB 3.49Å; G94-V97 PolarHBondContact O-N 2.85Å; G94-V97 VanDerWaalsContact O-N 3.15Å
95A84.5Confident88.2Confident17 Ų1758.7 Ų58.714%0.1431%0.313CS..THydrogen-bonded Turntrans-63.1-42.6-16900000113.9V85 E89 K92 K174V85-A95 HydrophobicContact CG1-CB 3.91Å; E89-A95 WeakPolarHBondContact O-CB 3.28Å; K92-A95 HydrophobicContact CB-CB 4.37Å; K92-A95 VanDerWaalsContact O-CB 3.29Å; K92-A95 WeakPolarHBondContact O-CB 3.19Å; K92-A95 PolarHBondContact O-N 3.38Å; K92-A95 VanDerWaalsContact O-N 3.15Å; A95-K174 PolarHBondContact O-NZ 3.09Å
96H85.3Confident88.3Confident108 Ų10859.6 Ų59.650%0.533%0.328SS..THydrogen-bonded Turntrans-87.72.6178.2-69.2-75.1000114.1V85 S90 G94V85-H96 VanDerWaalsContact CB-CE1 3.44Å; V85-H96 WeakPolarHBondContact CB-CE1 3.45Å; S90-H96 WeakPolarHBondContact CA-NE2 3.17Å; S90-H96 WeakPolarHBondContact CB-NE2 3.44Å; S90-H96 PolarHBondContact O-NE2 3.13Å; S90-H96 PolarHBondContact OG-CE1 2.89Å; S90-H96 PolarHBondContact OG-NE2 2.78Å; G94-H96 PolarHBondContact O-N 2.93Å
97V89.3Confident88.6Confident52 Ų5259.1 Ų59.132%0.31532%0.323SS..  trans-74.2136.2179.6-173.20000109.6G94 V99 K174G94-V97 WeakPolarHBondContact O-CB 3.49Å; G94-V97 PolarHBondContact O-N 2.85Å; G94-V97 VanDerWaalsContact O-N 3.15Å; V97-V99 HydrophobicContact CB-CG1 4.36Å; V97-V99 HydrophobicContact CG1-CG1 3.67Å; V97-V99 PolarHBondContact O-N 2.65Å; V97-K174 WeakPolarHBondContact O-CD 3.25Å; V97-K174 PolarHBondContact O-NZ 2.88Å
98T91.5Very high88.9Confident66 Ų6654.1 Ų54.141%0.40531%0.307SS..  trans-85.4105.7176.1-35.50000108K82 H151K82-T98 PolarHBondContact NZ-OG1 3.02Å; T98-H151 HydrophobicContact CG2-CB 3.7Å
99V94.1Very high89.2Confident23 Ų2351.8 Ų51.814%0.13930%0.296CS..  trans-130.3141.7178.9-560000111V97 K101 V154 K174V97-V99 HydrophobicContact CB-CG1 4.36Å; V97-V99 HydrophobicContact CG1-CG1 3.67Å; V97-V99 PolarHBondContact O-N 2.65Å; V99-K101 WeakPolarHBondContact CG2-O 3.28Å; V99-V154 HydrophobicContact CG2-CG1 4.14Å; V99-K174 HydrophobicContact CG2-CB 3.73Å; V99-K174 HydrophobicContact CG2-CD 4.26Å; V99-K174 HydrophobicContact CG2-CG 3.93Å
100K95.9Very high89.7Confident107 Ų10753 Ų5347%0.46530%0.304SS..SBendtrans-89.4-5.5171.6-54.3-168.3176-1720113.4T147 F148 D149K100-T147 HydrophobicContact CB-CG2 4.42Å; K100-T147 WeakPolarHBondContact O-CA 3.41Å; K100-F148 WeakPolarHBondContact CB-O 3.31Å; K100-F148 PolarHBondContact O-N 3.49Å; K100-D149 WeakPolarHBondContact CD-O 3.42Å; K100-D149 WeakPolarHBondContact CE-O 3.48Å; K100-D149 PolarHBondContact NZ-O 3.41Å
101K96.5Very high90.2Very high63 Ų6351.1 Ų51.127%0.27429%0.291SS..EExtended strand (participates in β ladder)trans-106.9124.2-177.9-164.3161-176.5163.90110.7V99 E130 F145 V146 T147 A175V99-K101 WeakPolarHBondContact CG2-O 3.28Å; K101-E130 IonicContact NZ-OE2 2.67Å; K101-E130 PolarHBondContact NZ-OE2 3.16Å; K101-F145 HydrophobicContact CD-CB 4.26Å; K101-F145 HydrophobicContact CG-CB 4.1Å; K101-F145 HydrophobicContact CG-CD1 4.34Å; K101-V146 CarbonylContact C-O 3.51Å; K101-V146 WeakPolarHBondContact CA-O 3.45Å; K101-T147 HydrophobicContact CB-CG2 4.23Å; K101-A175 HydrophobicContact CB-CB 3.99Å; K101-A175 HydrophobicContact CG-CB 3.89Å; K101-A175 WeakPolarHBondContact O-CB 3.27Å; K101-A175 PolarHBondContact O-N 3.11Å
102L96.6Very high90.8Very high0 Ų052.1 Ų52.10%028%0.276CS..EExtended strand (participates in β ladder)trans-95.9139.2174.1-172.177.1000109.4V104 F120 F145 V146 F148 V154 I157 V158 V172L102-V104 HydrophobicContact CD2-CG2 3.68Å; L102-V104 HydrophobicContact CG-CG2 4.09Å; L102-F120 HydrophobicContact CD2-CD1 4.21Å; L102-F120 HydrophobicContact CD2-CE1 3.7Å; L102-F120 HydrophobicContact CD2-CE2 4.28Å; L102-F120 HydrophobicContact CD2-CZ 3.73Å; L102-F145 CarbonylContact O-C 3.58Å; L102-F145 WeakPolarHBondContact O-CA 3.33Å; L102-F145 WeakPolarHBondContact O-CB 3.49Å; L102-V146 HydrophobicContact CB-CB 4.46Å; L102-V146 PolarHBondContact N-O 3.3Å; L102-V146 PolarHBondContact O-N 2.89Å; L102-F148 HydrophobicContact CB-CE2 4.25Å; L102-F148 HydrophobicContact CD2-CE2 4.48Å; L102-V154 HydrophobicContact CB-CG1 4.46Å; L102-V154 HydrophobicContact CB-CG2 4.43Å; L102-V154 HydrophobicContact CD1-CG1 3.92Å; L102-I157 HydrophobicContact CD1-CB 4.39Å; L102-I157 HydrophobicContact CD1-CG2 3.84Å; L102-I157 HydrophobicContact CD2-CD1 4.07Å; L102-I157 HydrophobicContact CD2-CG2 3.81Å; L102-I157 HydrophobicContact CG-CG2 4.5Å; L102-V158 HydrophobicContact CD1-CG1 3.72Å; L102-V172 HydrophobicContact CD1-CB 4.27Å; L102-V172 HydrophobicContact CD2-CB 4.47Å; L102-V172 HydrophobicContact CD2-CG1 4.43Å
103F95.4Very high91.3Very high49 Ų4952.5 Ų52.522%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-94.8134.3164.5167.4-86.3000108.8F143 F145 V172 R173 A175F103-F143 HydrophobicContact CD2-CD2 4.17Å; F103-F143 HydrophobicContact CE2-CB 3.85Å; F103-F143 AromaticContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CE2 4.24Å; F103-F143 AromaticContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CZ-CB 3.93Å; F103-F143 HydrophobicContact CZ-CD2 4.39Å; F103-F143 HydrophobicContact CZ-CG 4.31Å; F103-F145 HydrophobicContact CB-CD1 4.05Å; F103-F145 HydrophobicContact CB-CE1 3.99Å; F103-F145 HydrophobicContact CD2-CD1 4.31Å; F103-F145 AromaticContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CZ 4.1Å; F103-F145 HydrophobicContact CG-CE1 4.37Å; F103-V172 WeakPolarHBondContact O-CA 3.49Å; F103-R173 HydrophobicContact CD1-CB 4.3Å; F103-R173 PolarHBondContact N-O 2.66Å; F103-R173 PolarHBondContact O-N 3.05Å; F103-A175 HydrophobicContact CB-CB 4.21Å
104V96.1Very high92.1Very high0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-128.2107.4179.7-1740000108L102 I107 L116 F120 F143 G144 V146 I165 A170L102-V104 HydrophobicContact CD2-CG2 3.68Å; L102-V104 HydrophobicContact CG-CG2 4.09Å; V104-I107 HydrophobicContact CG1-CG2 4.12Å; V104-L116 HydrophobicContact CG1-CD2 4.39Å; V104-F120 HydrophobicContact CG1-CE2 4.18Å; V104-F120 HydrophobicContact CG1-CZ 4.33Å; V104-F120 HydrophobicContact CG2-CE2 3.65Å; V104-F120 HydrophobicContact CG2-CZ 3.82Å; V104-F143 CarbonylContact O-C 3.52Å; V104-F143 WeakPolarHBondContact O-CA 3.44Å; V104-F143 WeakPolarHBondContact O-CB 3.47Å; V104-G144 PolarHBondContact N-O 2.83Å; V104-G144 PolarHBondContact O-N 3.15Å; V104-V146 HydrophobicContact CG2-CG2 4.29Å; V104-I165 HydrophobicContact CG1-CD1 4.18Å; V104-A170 HydrophobicContact CG1-CB 4.03Å
105G95.4Very high92.8Very high8 Ų855 Ų558%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-115.1160.3179.500000112.7A170 E171G105-A170 CarbonylContact O-C 3.51Å; G105-A170 WeakPolarHBondContact O-CA 3.25Å; G105-A170 WeakPolarHBondContact O-CB 3.46Å; G105-E171 PolarHBondContact N-O 3.42Å; G105-E171 PolarHBondContact O-N 3.27Å
106G92.6Very high93.3Very high47 Ų4754.1 Ų54.149%0.48527%0.274SS..SBendtrans87.81.5179.800000114.8G142G106-G142 PolarHBondContact N-O 3.41Å
107I92.5Very high93.9Very high7 Ų752.6 Ų52.64%0.03626%0.264CS..  trans-67.4158.1163.260.4175.4000110.3V104 T111 L116 G142 A170V104-I107 HydrophobicContact CG1-CG2 4.12Å; I107-T111 HydrophobicContact CB-CG2 3.95Å; I107-T111 HydrophobicContact CD1-CG2 4.34Å; I107-T111 HydrophobicContact CG2-CG2 4.03Å; I107-L116 HydrophobicContact CD1-CD1 4.44Å; I107-L116 HydrophobicContact CG2-CD2 4.36Å; I107-G142 PolarHBondContact N-O 3.49Å; I107-G142 CarbonylContact O-C 3.54Å; I107-G142 WeakPolarHBondContact O-CA 3.23Å; I107-A170 HydrophobicContact CG2-CB 4.04Å
108K90Very high94.2Very high116 Ų11654.9 Ų54.950%0.50427%0.274SS..  trans-106.9178-178.2-65.6-170.4-168.91310112.5D110 T111 H168K108-D110 PolarHBondContact O-N 3.27Å; K108-T111 PolarHBondContact N-OG1 2.88Å; K108-T111 WeakPolarHBondContact O-CB 2.79Å; K108-T111 PolarHBondContact O-N 2.85Å; K108-T111 PolarHBondContact O-OG1 2.88Å; K108-H168 VanDerWaalsContact CD-CE1 3.49Å; K108-H168 WeakPolarHBondContact CD-CE1 3.41Å; K108-H168 WeakPolarHBondContact CE-ND1 3.5Å; K108-H168 PolarHBondContact NZ-CE1 2.84Å; K108-H168 VanDerWaalsContact NZ-CE1 3.27Å; K108-H168 PolarHBondContact NZ-ND1 2.92Å
109E89.9Confident94.4Very high101 Ų10154.2 Ų54.247%0.47227%0.265SS..THydrogen-bonded Turntrans-60.8-20.2176.8-69.7-173.6-156.100113.2K139 K140E109-K139 IonicContact OE1-NZ 2.87Å; E109-K139 PolarHBondContact OE1-NZ 3.25Å; E109-K139 IonicContact OE2-NZ 2.77Å; E109-K139 PolarHBondContact OE2-NZ 3.27Å; E109-K140 HydrophobicContact CG-CB 4.48Å; E109-K140 VanDerWaalsContact O-CD 3.31Å; E109-K140 WeakPolarHBondContact O-CD 3.13Å; E109-K140 VanDerWaalsContact O-CE 3.32Å; E109-K140 WeakPolarHBondContact O-CE 2.36Å; E109-K140 PolarHBondContact O-NZ 2.69Å
110D92.3Very high94.5Very high75 Ų7553.1 Ų53.140%0.40126%0.258SS..THydrogen-bonded Turntrans-72.9-20.9172.455.138.7000114.2K108 N166 H168K108-D110 PolarHBondContact O-N 3.27Å; D110-N166 PolarHBondContact OD1-ND2 3.45Å; D110-H168 IonicContact OD1-CD2 3.45Å; D110-H168 PolarHBondContact OD1-CD2 3.14Å; D110-H168 IonicContact OD1-CE1 3.26Å; D110-H168 IonicContact OD1-NE2 3.59Å; D110-H168 PolarHBondContact OD1-NE2 2.61Å; D110-H168 IonicContact OD2-CE1 2.6Å; D110-H168 PolarHBondContact OD2-CE1 2.8Å; D110-H168 VanDerWaalsContact OD2-CE1 3.24Å; D110-H168 IonicContact OD2-NE2 3.61Å; D110-H168 PolarHBondContact OD2-NE2 2.85Å
111T92.8Very high94.5Very high0 Ų053.3 Ų53.30%026%0.261CS..  trans-83.5133.4-166.5-50.70000110I107 K108 H115 L116 K140 N166 H168I107-T111 HydrophobicContact CB-CG2 3.95Å; I107-T111 HydrophobicContact CD1-CG2 4.34Å; I107-T111 HydrophobicContact CG2-CG2 4.03Å; K108-T111 PolarHBondContact N-OG1 2.88Å; K108-T111 WeakPolarHBondContact O-CB 2.79Å; K108-T111 PolarHBondContact O-N 2.85Å; K108-T111 PolarHBondContact O-OG1 2.88Å; T111-H115 HydrophobicContact CG2-CB 4.01Å; T111-L116 HydrophobicContact CG2-CD2 4.14Å; T111-K140 VanDerWaalsContact O-CD 3.31Å; T111-K140 WeakPolarHBondContact O-CD 3.44Å; T111-K140 WeakPolarHBondContact O-CE 3.41Å; T111-K140 PolarHBondContact O-NZ 2.95Å; T111-N166 HydrophobicContact CG2-CB 4.27Å; T111-H168 PolarHBondContact OG1-CD2 2.85Å
112E93.4Very high94.3Very high93 Ų9356.4 Ų56.444%0.43528%0.276SS..  trans-123.5174.1-173.2-50.6-150.8136.400112.4H114 H115 L116 K140E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 3.05Å; E112-H114 IonicContact OE2-CE1 2.65Å; E112-H114 PolarHBondContact OE2-CE1 3.01Å; E112-H114 VanDerWaalsContact OE2-CE1 3.26Å; E112-H114 IonicContact OE2-ND1 2.88Å; E112-H115 PolarHBondContact N-ND1 3.33Å; E112-H115 VanDerWaalsContact N-ND1 3.19Å; E112-H115 WeakPolarHBondContact O-CB 3.44Å; E112-H115 PolarHBondContact O-N 3.23Å; E112-L116 PolarHBondContact O-N 3.46Å; E112-K140 IonicContact OE1-NZ 3.78Å
113E94.3Very high94.2Very high91 Ų9158.5 Ų58.543%0.42528%0.284SS..Hα-helixtrans-55.7-44.7-179.4176.8170.3165.500112.3H115 L116 R117 I129E113-H115 PolarHBondContact O-N 2.95Å; E113-L116 PolarHBondContact O-N 3.05Å; E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 PolarHBondContact O-N 3.49Å; E113-R117 IonicContact OE1-CZ 3.83Å; E113-R117 IonicContact OE1-NE 2.78Å; E113-R117 IonicContact OE1-NH2 2.84Å; E113-R117 PolarHBondContact OE1-NH2 2.82Å; E113-I129 HydrophobicContact CB-CG2 4.46Å; E113-I129 HydrophobicContact CG-CB 3.84Å; E113-I129 HydrophobicContact CG-CD1 3.7Å; E113-I129 HydrophobicContact CG-CG1 4.29Å; E113-I129 HydrophobicContact CG-CG2 3.97Å
114H95.5Very high94.2Very high86 Ų8657.3 Ų57.340%0.39829%0.286SS..Hα-helixtrans-60.3-47.3-179.364.6-94.8000111.6E112 L116 R117 D118E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 3.05Å; E112-H114 IonicContact OE2-CE1 2.65Å; E112-H114 PolarHBondContact OE2-CE1 3.01Å; E112-H114 VanDerWaalsContact OE2-CE1 3.26Å; E112-H114 IonicContact OE2-ND1 2.88Å; H114-L116 PolarHBondContact O-N 2.2Å; H114-R117 CarbonylContact O-C 3.42Å; H114-R117 WeakPolarHBondContact O-CA 3.15Å; H114-R117 WeakPolarHBondContact O-CB 3.38Å; H114-R117 PolarHBondContact O-N 3.37Å; H114-D118 IonicContact CD2-OD2 3.24Å; H114-D118 WeakPolarHBondContact O-CB 3.43Å; H114-D118 PolarHBondContact O-N 3.33Å; H114-D118 VanDerWaalsContact O-OD1 3.05Å
115H95.3Very high94.2Very high45 Ų4563 Ų6321%0.20831%0.31CS..Hα-helixtrans-54.1-30.1174-58.793.5000114.3T111 E112 E113 Y119 I165 N166T111-H115 HydrophobicContact CG2-CB 4.01Å; E112-H115 PolarHBondContact N-ND1 3.33Å; E112-H115 VanDerWaalsContact N-ND1 3.19Å; E112-H115 WeakPolarHBondContact O-CB 3.44Å; E112-H115 PolarHBondContact O-N 3.23Å; E113-H115 PolarHBondContact O-N 2.95Å; H115-Y119 WeakPolarHBondContact O-CB 2.97Å; H115-I165 VanDerWaalsContact O-CG2 3.29Å; H115-I165 WeakPolarHBondContact O-CG2 3.19Å; H115-N166 HydrophobicContact CB-CB 4.35Å; H115-N166 PolarHBondContact CD2-OD1 3.5Å; H115-N166 VanDerWaalsContact CD2-OD1 3.32Å; H115-N166 PolarHBondContact NE2-OD1 2.88Å
116L95.5Very high94.3Very high0 Ų063.3 Ų63.30%031%0.31CS..Hα-helixtrans-82.9-38.9173.5-59.5-173.1000111.6V104 I107 T111 E112 E113 H114 F120 I129 I131 V146 I165V104-L116 HydrophobicContact CG1-CD2 4.39Å; I107-L116 HydrophobicContact CD1-CD1 4.44Å; I107-L116 HydrophobicContact CG2-CD2 4.36Å; T111-L116 HydrophobicContact CG2-CD2 4.14Å; E112-L116 PolarHBondContact O-N 3.46Å; E113-L116 PolarHBondContact O-N 3.05Å; H114-L116 PolarHBondContact O-N 2.2Å; L116-F120 HydrophobicContact CB-CD2 4.39Å; L116-F120 HydrophobicContact CD2-CE2 4.38Å; L116-F120 VanDerWaalsContact O-CB 3.3Å; L116-F120 WeakPolarHBondContact O-CB 3.43Å; L116-F120 VanDerWaalsContact O-CD2 3.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.22Å; L116-F120 PolarHBondContact O-N 2.66Å; L116-I129 HydrophobicContact CB-CD1 4.31Å; L116-I129 HydrophobicContact CB-CG2 4.19Å; L116-I129 HydrophobicContact CD1-CG2 3.79Å; L116-I131 HydrophobicContact CD1-CD1 3.81Å; L116-I131 HydrophobicContact CD1-CG1 3.69Å; L116-I131 HydrophobicContact CG-CD1 4.36Å; L116-V146 HydrophobicContact CB-CG2 4.42Å; L116-V146 HydrophobicContact CD1-CG2 4.49Å; L116-I165 HydrophobicContact CD2-CG2 4.04Å
117R96.3Very high94.5Very high76 Ų7665.1 Ų65.129%0.28731%0.309SS..Hα-helixtrans-62.1-60.6178.5-175.4169.9-66.3-78.10.5111E113 H114 Y119 F120 E121 I129E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 PolarHBondContact O-N 3.49Å; E113-R117 IonicContact OE1-CZ 3.83Å; E113-R117 IonicContact OE1-NE 2.78Å; E113-R117 IonicContact OE1-NH2 2.84Å; E113-R117 PolarHBondContact OE1-NH2 2.82Å; H114-R117 CarbonylContact O-C 3.42Å; H114-R117 WeakPolarHBondContact O-CA 3.15Å; H114-R117 WeakPolarHBondContact O-CB 3.38Å; H114-R117 PolarHBondContact O-N 3.37Å; R117-Y119 PolarHBondContact O-N 3.08Å; R117-Y119 VanDerWaalsContact O-N 3.08Å; R117-F120 PolarHBondContact O-N 2.85Å; R117-E121 WeakPolarHBondContact CG-OE2 3.46Å; R117-E121 WeakPolarHBondContact O-CB 3.3Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.45Å; R117-E121 PolarHBondContact O-N 2.88Å; R117-I129 HydrophobicContact CB-CD1 3.66Å; R117-I129 HydrophobicContact CG-CD1 4.39Å
118D95.7Very high94.6Very high99 Ų9968.3 Ų68.353%0.52933%0.329SS..Hα-helixtrans-55.9-30-177.3-47.4-11.9000111.8H114H114-D118 IonicContact CD2-OD2 3.24Å; H114-D118 WeakPolarHBondContact O-CB 3.43Å; H114-D118 PolarHBondContact O-N 3.33Å; H114-D118 VanDerWaalsContact O-OD1 3.05Å
119Y95.8Very high94.9Very high53 Ų5363.9 Ų63.921%0.20831%0.31CS..Hα-helixtrans-86.2-36.5177.7-172.3-97.2000114H115 R117 Y123 H163 I165H115-Y119 WeakPolarHBondContact O-CB 2.97Å; R117-Y119 PolarHBondContact O-N 3.08Å; R117-Y119 VanDerWaalsContact O-N 3.08Å; Y119-Y123 HydrophobicContact CE1-CE2 4.3Å; Y119-H163 HydrophobicContact CE1-CB 3.75Å; Y119-H163 AromaticContact CE1-CG 3.88Å; Y119-H163 AromaticContact CE1-ND1 3.41Å; Y119-H163 WeakPolarHBondContact CE1-ND1 3.39Å; Y119-H163 AromaticContact CZ-ND1 3.54Å; Y119-H163 PolarHBondContact OH-ND1 2.77Å; Y119-I165 HydrophobicContact CD1-CD1 3.57Å; Y119-I165 HydrophobicContact CD1-CG1 3.61Å; Y119-I165 HydrophobicContact CD2-CG1 4.45Å; Y119-I165 HydrophobicContact CE1-CD1 3.96Å; Y119-I165 HydrophobicContact CE1-CG1 3.88Å; Y119-I165 HydrophobicContact CG-CD1 4.27Å; Y119-I165 HydrophobicContact CG-CG1 3.93Å; Y119-I165 HydrophobicContact CG-CG2 4.34Å
120F96.3Very high95.2Very high0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-95.5-16.5-174-75.5-58.3000114.3L102 V104 L116 R117 E122 Y123 I126 V146 F148 I157 I165 V172L102-F120 HydrophobicContact CD2-CD1 4.21Å; L102-F120 HydrophobicContact CD2-CE1 3.7Å; L102-F120 HydrophobicContact CD2-CE2 4.28Å; L102-F120 HydrophobicContact CD2-CZ 3.73Å; V104-F120 HydrophobicContact CG1-CE2 4.18Å; V104-F120 HydrophobicContact CG1-CZ 4.33Å; V104-F120 HydrophobicContact CG2-CE2 3.65Å; V104-F120 HydrophobicContact CG2-CZ 3.82Å; L116-F120 HydrophobicContact CB-CD2 4.39Å; L116-F120 HydrophobicContact CD2-CE2 4.38Å; L116-F120 VanDerWaalsContact O-CB 3.3Å; L116-F120 WeakPolarHBondContact O-CB 3.43Å; L116-F120 VanDerWaalsContact O-CD2 3.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.22Å; L116-F120 PolarHBondContact O-N 2.66Å; R117-F120 PolarHBondContact O-N 2.85Å; F120-E122 PolarHBondContact O-N 2.98Å; F120-Y123 HydrophobicContact CD1-CD2 4.18Å; F120-Y123 HydrophobicContact CD1-CE2 4.4Å; F120-Y123 PolarHBondContact O-N 3.05Å; F120-Y123 VanDerWaalsContact O-N 3.12Å; F120-I126 HydrophobicContact CB-CD1 3.78Å; F120-V146 HydrophobicContact CB-CG1 4.45Å; F120-V146 HydrophobicContact CD2-CG2 3.82Å; F120-V146 HydrophobicContact CE2-CG2 4.22Å; F120-F148 HydrophobicContact CB-CE1 4.38Å; F120-F148 HydrophobicContact CB-CZ 3.96Å; F120-F148 HydrophobicContact CG-CZ 4.43Å; F120-I157 HydrophobicContact CD1-CD1 3.56Å; F120-I157 HydrophobicContact CD1-CG1 4.26Å; F120-I157 HydrophobicContact CE1-CD1 3.95Å; F120-I157 HydrophobicContact CE1-CG1 4.35Å; F120-I157 HydrophobicContact CE1-CG2 3.95Å; F120-I165 HydrophobicContact CE1-CD1 4.38Å; F120-I165 HydrophobicContact CE2-CD1 3.51Å; F120-I165 HydrophobicContact CZ-CD1 3.44Å; F120-I165 VanDerWaalsContact CZ-CD1 3.44Å; F120-V172 HydrophobicContact CE1-CG1 4.37Å; F120-V172 HydrophobicContact CZ-CG1 3.95Å
121E95.4Very high95.3Very high111 Ų11161.2 Ų61.252%0.51930%0.296SS..G310 helixtrans-68.2-19.6178.668.8-175.9-156.200113.5R117 Y123 G124 I126R117-E121 WeakPolarHBondContact CG-OE2 3.46Å; R117-E121 WeakPolarHBondContact O-CB 3.3Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.45Å; R117-E121 PolarHBondContact O-N 2.88Å; E121-Y123 PolarHBondContact O-N 3.45Å; E121-G124 PolarHBondContact O-N 3.08Å; E121-I126 HydrophobicContact CB-CD1 4.22Å
122E94Very high95.3Very high127 Ų12762.7 Ų62.759%0.59330%0.304SS*.G310 helixtrans-63.2-21.7170.877.4176.8-177.500113.4F120F120-E122 PolarHBondContact O-N 2.98Å
123Y94.5Very high95.2Very high45 Ų4561.7 Ų61.718%0.17630%0.304CS..G310 helixtrans-92.4-19.9179.8-62.1-93.5000113.2Y119 F120 E121 P153 K156 I157Y119-Y123 HydrophobicContact CE1-CE2 4.3Å; F120-Y123 HydrophobicContact CD1-CD2 4.18Å; F120-Y123 HydrophobicContact CD1-CE2 4.4Å; F120-Y123 PolarHBondContact O-N 3.05Å; F120-Y123 VanDerWaalsContact O-N 3.12Å; E121-Y123 PolarHBondContact O-N 3.45Å; Y123-P153 WeakPolarHBondContact O-CB 3.35Å; Y123-P153 WeakPolarHBondContact O-CG 3.48Å; Y123-K156 HydrophobicContact CD1-CB 4.48Å; Y123-K156 HydrophobicContact CD1-CD 4.03Å; Y123-K156 HydrophobicContact CD1-CG 4.05Å; Y123-I157 HydrophobicContact CD1-CD1 4.21Å; Y123-I157 HydrophobicContact CD1-CG1 3.37Å; Y123-I157 HydrophobicContact CD2-CD1 4.03Å; Y123-I157 HydrophobicContact CD2-CG1 3.88Å; Y123-I157 HydrophobicContact CE1-CG1 3.83Å; Y123-I157 HydrophobicContact CE2-CG1 4.29Å; Y123-I157 HydrophobicContact CG-CD1 3.75Å; Y123-I157 HydrophobicContact CG-CG1 3.44Å; Y123-I157 VanDerWaalsContact CG-CG1 3.44Å
124G94.1Very high95Very high23 Ų2359.9 Ų59.924%0.23730%0.297CS..SBendtrans154.8171.8-175.700000113.5E121 I126E121-G124 PolarHBondContact O-N 3.08Å; G124-I126 PolarHBondContact O-N 2.83Å
125K96.2Very high94.5Very high119 Ų11967.1 Ų67.152%0.51732%0.321SS..  trans-71.5125.3-174.3168.9171.3155.1-700111.9D127 F148 D149K125-D127 IonicContact NZ-OD1 3.07Å; K125-D127 PolarHBondContact NZ-OD1 2.84Å; K125-F148 VanDerWaalsContact O-CA 3.28Å; K125-F148 WeakPolarHBondContact O-CA 3.45Å; K125-D149 VanDerWaalsContact CD-OD2 3.27Å; K125-D149 WeakPolarHBondContact CD-OD2 3.44Å; K125-D149 IonicContact NZ-OD2 2.76Å; K125-D149 PolarHBondContact NZ-OD2 2.88Å; K125-D149 PolarHBondContact O-N 2.9Å
126I97.3Very high94Very high16 Ų1674 Ų748%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-91.7121178.4-57.9171.2000110F120 E121 G124 I129 V146 F148F120-I126 HydrophobicContact CB-CD1 3.78Å; E121-I126 HydrophobicContact CB-CD1 4.22Å; G124-I126 PolarHBondContact O-N 2.83Å; I126-I129 HydrophobicContact CD1-CD1 4.35Å; I126-I129 HydrophobicContact CG2-CD1 4.07Å; I126-I129 HydrophobicContact CG2-CG1 3.65Å; I126-V146 HydrophobicContact CB-CG1 4.46Å; I126-V146 HydrophobicContact CD1-CG1 4.01Å; I126-V146 HydrophobicContact CG1-CG1 3.94Å; I126-V146 HydrophobicContact CG2-CG1 3.74Å; I126-F148 HydrophobicContact CG1-CD1 3.97Å; I126-F148 HydrophobicContact CG1-CE1 3.74Å; I126-F148 HydrophobicContact CG1-CZ 4.44Å
127D96.7Very high93.7Very high85 Ų8577.4 Ų77.446%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-83.2-43.2173.2-76.3-15.7000111.8K125 T147 D149K125-D127 IonicContact NZ-OD1 3.07Å; K125-D127 PolarHBondContact NZ-OD1 2.84Å; D127-T147 PolarHBondContact N-O 3.32Å; D127-D149 WeakPolarHBondContact OD2-CA 3.38Å
128T96.1Very high93.3Very high74 Ų7476.2 Ų76.245%0.45439%0.389SS..EExtended strand (participates in β ladder)trans-148151.2-179.852.90000113.6T147T128-T147 PolarHBondContact N-O 3.22Å; T128-T147 VanDerWaalsContact N-O 3.16Å; T128-T147 PolarHBondContact O-N 3.3Å; T128-T147 WeakPolarHBondContact OG1-CB 3.41Å; T128-T147 PolarHBondContact OG1-OG1 3.42Å
129I96.2Very high92.9Very high22 Ų2276.5 Ų76.511%0.11339%0.385CS..EExtended strand (participates in β ladder)trans-125.8138.3171.9-59.1174.9000108.3E113 L116 R117 I126 I131 F145 V146E113-I129 HydrophobicContact CB-CG2 4.46Å; E113-I129 HydrophobicContact CG-CB 3.84Å; E113-I129 HydrophobicContact CG-CD1 3.7Å; E113-I129 HydrophobicContact CG-CG1 4.29Å; E113-I129 HydrophobicContact CG-CG2 3.97Å; L116-I129 HydrophobicContact CB-CD1 4.31Å; L116-I129 HydrophobicContact CB-CG2 4.19Å; L116-I129 HydrophobicContact CD1-CG2 3.79Å; R117-I129 HydrophobicContact CB-CD1 3.66Å; R117-I129 HydrophobicContact CG-CD1 4.39Å; I126-I129 HydrophobicContact CD1-CD1 4.35Å; I126-I129 HydrophobicContact CG2-CD1 4.07Å; I126-I129 HydrophobicContact CG2-CG1 3.65Å; I129-I131 HydrophobicContact CG2-CG1 4.43Å; I129-F145 WeakPolarHBondContact CA-O 3.44Å; I129-V146 HydrophobicContact CG1-CG1 4.38Å; I129-V146 HydrophobicContact CG1-CG2 4.37Å; I129-V146 HydrophobicContact CG2-CG2 4.48Å
130E94.7Very high92.7Very high82 Ų8276.1 Ų76.138%0.38339%0.385SS..EExtended strand (participates in β ladder)trans-137.890.4-174-170.8-166.8172.400110K101 I132 G144 F145K101-E130 IonicContact NZ-OE2 2.67Å; K101-E130 PolarHBondContact NZ-OE2 3.16Å; E130-I132 HydrophobicContact CG-CD1 3.73Å; E130-I132 WeakPolarHBondContact OE1-CD1 3.36Å; E130-G144 CarbonylContact O-C 3.48Å; E130-G144 WeakPolarHBondContact O-CA 3.29Å; E130-F145 HydrophobicContact CB-CB 4.43Å; E130-F145 PolarHBondContact N-O 2.82Å; E130-F145 PolarHBondContact O-N 3.18Å
131I94.5Very high92.4Very high38 Ų3883.3 Ų83.320%0.19541%0.412CS..EExtended strand (participates in β ladder)trans-82122.8174.6-61.6-179.4000109.1L116 I129 T133 K140L116-I131 HydrophobicContact CD1-CD1 3.81Å; L116-I131 HydrophobicContact CD1-CG1 3.69Å; L116-I131 HydrophobicContact CG-CD1 4.36Å; I129-I131 HydrophobicContact CG2-CG1 4.43Å; I131-T133 PolarHBondContact O-N 3.28Å; I131-K140 HydrophobicContact CG2-CB 4.35Å; I131-K140 HydrophobicContact CG2-CD 4.1Å; I131-K140 HydrophobicContact CG2-CG 4.17Å
132I93.6Very high92.3Very high31 Ų3179 Ų7916%0.15940%0.397CS..EExtended strand (participates in β ladder)trans-87.5115.5-170.6-54.8-61.1000110.5E130 R141 F143 F145E130-I132 HydrophobicContact CG-CD1 3.73Å; E130-I132 WeakPolarHBondContact OE1-CD1 3.36Å; I132-R141 WeakPolarHBondContact O-CB 3.29Å; I132-R141 PolarHBondContact O-N 2.94Å; I132-F143 HydrophobicContact CB-CD2 4.17Å; I132-F143 HydrophobicContact CB-CE1 4.45Å; I132-F143 HydrophobicContact CB-CE2 3.8Å; I132-F143 HydrophobicContact CB-CZ 3.95Å; I132-F143 HydrophobicContact CG1-CD2 3.92Å; I132-F143 HydrophobicContact CG1-CE2 3.55Å; I132-F143 HydrophobicContact CG1-CZ 4.17Å; I132-F143 HydrophobicContact CG2-CE1 4.41Å; I132-F143 HydrophobicContact CG2-CE2 4.09Å; I132-F143 HydrophobicContact CG2-CZ 3.81Å; I132-F143 PolarHBondContact N-O 3.38Å; I132-F145 HydrophobicContact CD1-CD2 4.04Å; I132-F145 HydrophobicContact CD1-CE2 3.97Å; I132-F145 HydrophobicContact CG1-CD2 4.02Å; I132-F145 HydrophobicContact CG1-CE2 3.82Å
133T92.2Very high92.3Very high73 Ų7374.9 Ų74.945%0.44838%0.377SS..EExtended strand (participates in β ladder)trans-88.9158.5169520000112.3I131 G138 K139 K140I131-T133 PolarHBondContact O-N 3.28Å; T133-G138 WeakPolarHBondContact CG2-O 3.45Å; T133-K139 CarbonylContact C-O 3.59Å; T133-K139 VanDerWaalsContact CA-O 3.28Å; T133-K139 WeakPolarHBondContact CA-O 3.22Å; T133-K140 HydrophobicContact CG2-CG 4.2Å
134D88.6Confident92.3Very high53 Ų5372.7 Ų72.728%0.28337%0.369SS..  trans-78.7137.3167.2172.4-109.8000110.1Q136 S137 G138 K139 R141D134-Q136 VanDerWaalsContact C-N 3.33Å; D134-Q136 PolarHBondContact O-N 3.05Å; D134-Q136 PolarHBondContact OD1-N 2.6Å; D134-Q136 VanDerWaalsContact OD1-N 3.11Å; D134-S137 WeakPolarHBondContact CB-OG 3.46Å; D134-S137 WeakPolarHBondContact OD1-CB 3.33Å; D134-S137 PolarHBondContact OD1-N 3.12Å; D134-S137 PolarHBondContact OD1-OG 2.89Å; D134-G138 VanDerWaalsContact O-CA 3.28Å; D134-G138 WeakPolarHBondContact O-CA 3.43Å; D134-G138 PolarHBondContact O-N 3.16Å; D134-K139 PolarHBondContact N-O 3.28Å; D134-R141 HydrophobicContact CB-CG 3.89Å
135R86Confident92.4Very high238 Ų23873.1 Ų73.190%0.89836%0.364SS*.THydrogen-bonded Turntrans-77.9-15-171.5-70.8-177.5170.7-165.1-7.1114.2
136Q85.1Confident92.5Very high190 Ų19067.5 Ų67.589%0.88834%0.339SS*.THydrogen-bonded Turntrans-101-39.4-178-62.9-177.7-5.800111.5D134D134-Q136 VanDerWaalsContact C-N 3.33Å; D134-Q136 PolarHBondContact O-N 3.05Å; D134-Q136 PolarHBondContact OD1-N 2.6Å; D134-Q136 VanDerWaalsContact OD1-N 3.11Å
137S88.8Confident92.5Very high70 Ų7068.1 Ų68.149%0.4934%0.344SS..THydrogen-bonded Turntrans-102.7-12.6-176.362.70000114.8D134 K139D134-S137 WeakPolarHBondContact CB-OG 3.46Å; D134-S137 WeakPolarHBondContact OD1-CB 3.33Å; D134-S137 PolarHBondContact OD1-N 3.12Å; D134-S137 PolarHBondContact OD1-OG 2.89Å; S137-K139 PolarHBondContact O-N 2.91Å; S137-K139 VanDerWaalsContact O-N 3.1Å
138G86.8Confident92.5Very high52 Ų5264 Ų6454%0.53632%0.322SS..  trans71.8-8.9-17500000115.1T133 D134T133-G138 WeakPolarHBondContact CG2-O 3.45Å; D134-G138 VanDerWaalsContact O-CA 3.28Å; D134-G138 WeakPolarHBondContact O-CA 3.43Å; D134-G138 PolarHBondContact O-N 3.16Å
139K88.5Confident92.5Very high104 Ų10463.3 Ų63.345%0.45232%0.315SS..  trans-66.6143.3-177.6-72.2172150.5-79.80112E109 T133 D134 S137 R141E109-K139 IonicContact OE1-NZ 2.87Å; E109-K139 PolarHBondContact OE1-NZ 3.25Å; E109-K139 IonicContact OE2-NZ 2.77Å; E109-K139 PolarHBondContact OE2-NZ 3.27Å; T133-K139 CarbonylContact C-O 3.59Å; T133-K139 VanDerWaalsContact CA-O 3.28Å; T133-K139 WeakPolarHBondContact CA-O 3.22Å; D134-K139 PolarHBondContact N-O 3.28Å; S137-K139 PolarHBondContact O-N 2.91Å; S137-K139 VanDerWaalsContact O-N 3.1Å; K139-R141 PolarHBondContact O-N 2.82Å
140K91Very high92.5Very high46 Ų4663.9 Ų63.920%0.232%0.319CS..EExtended strand (participates in β ladder)trans-65.9128.7173.9-56.2176.3-166.6159.90109.1E109 T111 E112 I131 T133 G142E109-K140 HydrophobicContact CG-CB 4.48Å; E109-K140 VanDerWaalsContact O-CD 3.31Å; E109-K140 WeakPolarHBondContact O-CD 3.13Å; E109-K140 VanDerWaalsContact O-CE 3.32Å; E109-K140 WeakPolarHBondContact O-CE 2.36Å; E109-K140 PolarHBondContact O-NZ 2.69Å; T111-K140 VanDerWaalsContact O-CD 3.31Å; T111-K140 WeakPolarHBondContact O-CD 3.44Å; T111-K140 WeakPolarHBondContact O-CE 3.41Å; T111-K140 PolarHBondContact O-NZ 2.95Å; E112-K140 IonicContact OE1-NZ 3.78Å; I131-K140 HydrophobicContact CG2-CB 4.35Å; I131-K140 HydrophobicContact CG2-CD 4.1Å; I131-K140 HydrophobicContact CG2-CG 4.17Å; T133-K140 HydrophobicContact CG2-CG 4.2Å; K140-G142 PolarHBondContact O-N 3.14Å; K140-G142 VanDerWaalsContact O-N 3.07Å
141R90.7Very high92.5Very high151 Ų15161.1 Ų61.157%0.5731%0.306SS*.EExtended strand (participates in β ladder)trans-77.512.8-175.4-66.5-178.763-155.9-3114.5I132 D134 K139 F143I132-R141 WeakPolarHBondContact O-CB 3.29Å; I132-R141 PolarHBondContact O-N 2.94Å; D134-R141 HydrophobicContact CB-CG 3.89Å; K139-R141 PolarHBondContact O-N 2.82Å; R141-F143 VanDerWaalsContact C-N 3.28Å; R141-F143 HydrophobicContact CB-CD1 3.85Å; R141-F143 HydrophobicContact CB-CE1 3.63Å; R141-F143 WeakPolarHBondContact O-CD1 3.13Å; R141-F143 PolarHBondContact O-N 3.42Å
142G92.2Very high92.6Very high20 Ų2060 Ų6021%0.20630%0.3CS..EExtended strand (participates in β ladder)trans68.621.5-176.500000115.1G106 I107 K140G106-G142 PolarHBondContact N-O 3.41Å; I107-G142 PolarHBondContact N-O 3.49Å; I107-G142 CarbonylContact O-C 3.54Å; I107-G142 WeakPolarHBondContact O-CA 3.23Å; K140-G142 PolarHBondContact O-N 3.14Å; K140-G142 VanDerWaalsContact O-N 3.07Å
143F94.5Very high92.7Very high40 Ų4058.9 Ų58.918%0.17530%0.295CS..EExtended strand (participates in β ladder)trans-149.9159169.972.5-85.8000112.2F103 V104 I132 R141 F145F103-F143 HydrophobicContact CD2-CD2 4.17Å; F103-F143 HydrophobicContact CE2-CB 3.85Å; F103-F143 AromaticContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CE2 4.24Å; F103-F143 AromaticContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CZ-CB 3.93Å; F103-F143 HydrophobicContact CZ-CD2 4.39Å; F103-F143 HydrophobicContact CZ-CG 4.31Å; V104-F143 CarbonylContact O-C 3.52Å; V104-F143 WeakPolarHBondContact O-CA 3.44Å; V104-F143 WeakPolarHBondContact O-CB 3.47Å; I132-F143 HydrophobicContact CB-CD2 4.17Å; I132-F143 HydrophobicContact CB-CE1 4.45Å; I132-F143 HydrophobicContact CB-CE2 3.8Å; I132-F143 HydrophobicContact CB-CZ 3.95Å; I132-F143 HydrophobicContact CG1-CD2 3.92Å; I132-F143 HydrophobicContact CG1-CE2 3.55Å; I132-F143 HydrophobicContact CG1-CZ 4.17Å; I132-F143 HydrophobicContact CG2-CE1 4.41Å; I132-F143 HydrophobicContact CG2-CE2 4.09Å; I132-F143 HydrophobicContact CG2-CZ 3.81Å; I132-F143 PolarHBondContact N-O 3.38Å; R141-F143 VanDerWaalsContact C-N 3.28Å; R141-F143 HydrophobicContact CB-CD1 3.85Å; R141-F143 HydrophobicContact CB-CE1 3.63Å; R141-F143 WeakPolarHBondContact O-CD1 3.13Å; R141-F143 PolarHBondContact O-N 3.42Å; F143-F145 HydrophobicContact CD2-CE2 4.36Å; F143-F145 HydrophobicContact CE2-CE2 4.09Å; F143-F145 HydrophobicContact CE2-CZ 4.32Å
144G95.2Very high92.9Very high0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-149.9-173.5173.500000111.5V104 E130V104-G144 PolarHBondContact N-O 2.83Å; V104-G144 PolarHBondContact O-N 3.15Å; E130-G144 CarbonylContact O-C 3.48Å; E130-G144 WeakPolarHBondContact O-CA 3.29Å
145F96.6Very high93.1Very high32 Ų3253.2 Ų53.214%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-132.1151.8173.2-56.4-90.6000111.1K101 L102 F103 I129 E130 I132 F143 A175K101-F145 HydrophobicContact CD-CB 4.26Å; K101-F145 HydrophobicContact CG-CB 4.1Å; K101-F145 HydrophobicContact CG-CD1 4.34Å; L102-F145 CarbonylContact O-C 3.58Å; L102-F145 WeakPolarHBondContact O-CA 3.33Å; L102-F145 WeakPolarHBondContact O-CB 3.49Å; F103-F145 HydrophobicContact CB-CD1 4.05Å; F103-F145 HydrophobicContact CB-CE1 3.99Å; F103-F145 HydrophobicContact CD2-CD1 4.31Å; F103-F145 AromaticContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CZ 4.1Å; F103-F145 HydrophobicContact CG-CE1 4.37Å; I129-F145 WeakPolarHBondContact CA-O 3.44Å; E130-F145 HydrophobicContact CB-CB 4.43Å; E130-F145 PolarHBondContact N-O 2.82Å; E130-F145 PolarHBondContact O-N 3.18Å; I132-F145 HydrophobicContact CD1-CD2 4.04Å; I132-F145 HydrophobicContact CD1-CE2 3.97Å; I132-F145 HydrophobicContact CG1-CD2 4.02Å; I132-F145 HydrophobicContact CG1-CE2 3.82Å; F143-F145 HydrophobicContact CD2-CE2 4.36Å; F143-F145 HydrophobicContact CE2-CE2 4.09Å; F143-F145 HydrophobicContact CE2-CZ 4.32Å; F145-A175 HydrophobicContact CD1-CB 3.71Å; F145-A175 HydrophobicContact CE1-CB 3.85Å
146V97.2Very high93.5Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-125.5128.5171.9-179.80000107.2K101 L102 V104 L116 F120 I126 I129 F148K101-V146 CarbonylContact C-O 3.51Å; K101-V146 WeakPolarHBondContact CA-O 3.45Å; L102-V146 HydrophobicContact CB-CB 4.46Å; L102-V146 PolarHBondContact N-O 3.3Å; L102-V146 PolarHBondContact O-N 2.89Å; V104-V146 HydrophobicContact CG2-CG2 4.29Å; L116-V146 HydrophobicContact CB-CG2 4.42Å; L116-V146 HydrophobicContact CD1-CG2 4.49Å; F120-V146 HydrophobicContact CB-CG1 4.45Å; F120-V146 HydrophobicContact CD2-CG2 3.82Å; F120-V146 HydrophobicContact CE2-CG2 4.22Å; I126-V146 HydrophobicContact CB-CG1 4.46Å; I126-V146 HydrophobicContact CD1-CG1 4.01Å; I126-V146 HydrophobicContact CG1-CG1 3.94Å; I126-V146 HydrophobicContact CG2-CG1 3.74Å; I129-V146 HydrophobicContact CG1-CG1 4.38Å; I129-V146 HydrophobicContact CG1-CG2 4.37Å; I129-V146 HydrophobicContact CG2-CG2 4.48Å; V146-F148 HydrophobicContact CB-CE2 4.3Å; V146-F148 HydrophobicContact CG1-CD2 4.27Å; V146-F148 HydrophobicContact CG1-CE1 4.43Å; V146-F148 HydrophobicContact CG1-CE2 3.76Å; V146-F148 HydrophobicContact CG1-CZ 3.86Å
147T97.4Very high94Very high29 Ų2934.9 Ų34.918%0.17819%0.186CC..EExtended strand (participates in β ladder)trans-110.6122.1176.1-36.60000108.8K100 K101 D127 T128K100-T147 HydrophobicContact CB-CG2 4.42Å; K100-T147 WeakPolarHBondContact O-CA 3.41Å; K101-T147 HydrophobicContact CB-CG2 4.23Å; D127-T147 PolarHBondContact N-O 3.32Å; T128-T147 PolarHBondContact N-O 3.22Å; T128-T147 VanDerWaalsContact N-O 3.16Å; T128-T147 PolarHBondContact O-N 3.3Å; T128-T147 WeakPolarHBondContact OG1-CB 3.41Å; T128-T147 PolarHBondContact OG1-OG1 3.42Å
148F97.7Very high94.2Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-93.4166.2175.4-62.7-92.6000111K100 L102 F120 K125 I126 V146 D150 P153 V154 I157K100-F148 WeakPolarHBondContact CB-O 3.31Å; K100-F148 PolarHBondContact O-N 3.49Å; L102-F148 HydrophobicContact CB-CE2 4.25Å; L102-F148 HydrophobicContact CD2-CE2 4.48Å; F120-F148 HydrophobicContact CB-CE1 4.38Å; F120-F148 HydrophobicContact CB-CZ 3.96Å; F120-F148 HydrophobicContact CG-CZ 4.43Å; K125-F148 VanDerWaalsContact O-CA 3.28Å; K125-F148 WeakPolarHBondContact O-CA 3.45Å; I126-F148 HydrophobicContact CG1-CD1 3.97Å; I126-F148 HydrophobicContact CG1-CE1 3.74Å; I126-F148 HydrophobicContact CG1-CZ 4.44Å; V146-F148 HydrophobicContact CB-CE2 4.3Å; V146-F148 HydrophobicContact CG1-CD2 4.27Å; V146-F148 HydrophobicContact CG1-CE1 4.43Å; V146-F148 HydrophobicContact CG1-CE2 3.76Å; V146-F148 HydrophobicContact CG1-CZ 3.86Å; F148-D150 WeakPolarHBondContact CB-O 3.5Å; F148-D150 PolarHBondContact O-N 2.96Å; F148-P153 HydrophobicContact CB-CB 4.29Å; F148-P153 HydrophobicContact CB-CG 4.3Å; F148-P153 HydrophobicContact CD1-CB 3.55Å; F148-P153 HydrophobicContact CD1-CG 4.05Å; F148-P153 HydrophobicContact CD2-CB 4.19Å; F148-P153 HydrophobicContact CE1-CB 3.79Å; F148-P153 HydrophobicContact CE2-CB 4.4Å; F148-P153 HydrophobicContact CG-CB 3.75Å; F148-P153 HydrophobicContact CG-CG 4.25Å; F148-P153 HydrophobicContact CZ-CB 4.2Å; F148-V154 HydrophobicContact CD2-CG2 3.59Å; F148-V154 HydrophobicContact CE2-CG2 4.08Å; F148-I157 HydrophobicContact CE1-CD1 4.39Å; F148-I157 HydrophobicContact CE2-CD1 3.83Å; F148-I157 HydrophobicContact CZ-CD1 3.44Å; F148-I157 VanDerWaalsContact CZ-CD1 3.44Å
149D95.7Very high94.4Very high58 Ų5831.9 Ų31.931%0.3115%0.153SC..SBendtrans-77.2-9.9171.565.5-4.1000113.8K100 K125 D127K100-D149 WeakPolarHBondContact CD-O 3.42Å; K100-D149 WeakPolarHBondContact CE-O 3.48Å; K100-D149 PolarHBondContact NZ-O 3.41Å; K125-D149 VanDerWaalsContact CD-OD2 3.27Å; K125-D149 WeakPolarHBondContact CD-OD2 3.44Å; K125-D149 IonicContact NZ-OD2 2.76Å; K125-D149 PolarHBondContact NZ-OD2 2.88Å; K125-D149 PolarHBondContact O-N 2.9Å; D127-D149 WeakPolarHBondContact OD2-CA 3.38Å
150D95.5Very high94.5Very high34 Ų3431.3 Ų31.318%0.18215%0.152CC..SBendtrans-138.4168.7177.1-176.243.4000113.2R70 F148 D152R70-D150 IonicContact CZ-OD2 2.73Å; R70-D150 VanDerWaalsContact NH1-CG 3.27Å; R70-D150 IonicContact NH1-OD1 3.53Å; R70-D150 PolarHBondContact NH1-OD1 2.71Å; R70-D150 IonicContact NH1-OD2 3.18Å; R70-D150 PolarHBondContact NH1-OD2 3.45Å; R70-D150 IonicContact NH2-OD2 2.74Å; R70-D150 PolarHBondContact NH2-OD2 2.74Å; F148-D150 WeakPolarHBondContact CB-O 3.5Å; F148-D150 PolarHBondContact O-N 2.96Å; D150-D152 WeakPolarHBondContact OD2-CB 3.15Å; D150-D152 PolarHBondContact OD2-N 3.15Å
151H94.9Very high94.4Very high24 Ų2432.2 Ų32.211%0.11116%0.155CC..SBendtrans-85.9-25.6175.573.288000114R70 T98 V154 D155R70-H151 PolarHBondContact NH1-NE2 2.72Å; T98-H151 HydrophobicContact CG2-CB 3.7Å; H151-V154 WeakPolarHBondContact O-CB 3.38Å; H151-V154 PolarHBondContact O-N 3.33Å; H151-V154 VanDerWaalsContact O-N 3.13Å; H151-D155 IonicContact CE1-OD2 3.03Å; H151-D155 IonicContact CG-OD2 2.77Å; H151-D155 IonicContact ND1-OD2 2.89Å; H151-D155 PolarHBondContact ND1-OD2 3.19Å; H151-D155 PolarHBondContact O-N 2.78Å
152D95.9Very high94.6Very high15 Ų1530.2 Ų30.28%0.0815%0.149CC..Hα-helixtrans-64.2-36.3-176.2-172.356000114.4M67 R83 D150 V154 D155 K156M67-D152 WeakPolarHBondContact CB-OD2 3.15Å; M67-D152 HydrophobicContact CE-CB 3.83Å; M67-D152 WeakPolarHBondContact CE-OD1 3.16Å; R83-D152 WeakPolarHBondContact CG-OD1 3.43Å; R83-D152 IonicContact CZ-OD1 2.67Å; R83-D152 IonicContact CZ-OD2 3.53Å; R83-D152 IonicContact NE-OD1 3.45Å; R83-D152 PolarHBondContact NE-OD1 3.07Å; R83-D152 IonicContact NE-OD2 2.72Å; R83-D152 IonicContact NH2-OD1 3.51Å; R83-D152 PolarHBondContact NH2-OD1 3.31Å; R83-D152 IonicContact NH2-OD2 3.55Å; R83-D152 PolarHBondContact NH2-OD2 3.32Å; D150-D152 WeakPolarHBondContact OD2-CB 3.15Å; D150-D152 PolarHBondContact OD2-N 3.15Å; D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.37Å; D152-D155 PolarHBondContact O-N 2.85Å; D152-K156 VanDerWaalsContact O-CB 3.3Å; D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 PolarHBondContact O-N 3.03Å
153P96.1Very high94.7Very high7 Ų729.3 Ų29.35%0.04514%0.139CC..Hα-helixtrans-57.7-43171-26.336.2000111.8Y123 F148 K156 I157Y123-P153 WeakPolarHBondContact O-CB 3.35Å; Y123-P153 WeakPolarHBondContact O-CG 3.48Å; F148-P153 HydrophobicContact CB-CB 4.29Å; F148-P153 HydrophobicContact CB-CG 4.3Å; F148-P153 HydrophobicContact CD1-CB 3.55Å; F148-P153 HydrophobicContact CD1-CG 4.05Å; F148-P153 HydrophobicContact CD2-CB 4.19Å; F148-P153 HydrophobicContact CE1-CB 3.79Å; F148-P153 HydrophobicContact CE2-CB 4.4Å; F148-P153 HydrophobicContact CG-CB 3.75Å; F148-P153 HydrophobicContact CG-CG 4.25Å; F148-P153 HydrophobicContact CZ-CB 4.2Å; P153-K156 PolarHBondContact O-N 3.06Å; P153-I157 WeakPolarHBondContact O-CB 3.2Å; P153-I157 VanDerWaalsContact O-CD1 3.28Å; P153-I157 WeakPolarHBondContact O-CD1 3.48Å; P153-I157 WeakPolarHBondContact O-CG1 3.24Å; P153-I157 PolarHBondContact O-N 2.92Å
154V96Very high94.7Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-65.8-45.8176.7-175.60000110.9V99 L102 F148 H151 D152 K156 I157 V158 K174V99-V154 HydrophobicContact CG2-CG1 4.14Å; L102-V154 HydrophobicContact CB-CG1 4.46Å; L102-V154 HydrophobicContact CB-CG2 4.43Å; L102-V154 HydrophobicContact CD1-CG1 3.92Å; F148-V154 HydrophobicContact CD2-CG2 3.59Å; F148-V154 HydrophobicContact CE2-CG2 4.08Å; H151-V154 WeakPolarHBondContact O-CB 3.38Å; H151-V154 PolarHBondContact O-N 3.33Å; H151-V154 VanDerWaalsContact O-N 3.13Å; D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.37Å; V154-K156 VanDerWaalsContact C-N 3.29Å; V154-K156 PolarHBondContact O-N 3.34Å; V154-I157 PolarHBondContact O-N 2.78Å; V154-V158 HydrophobicContact CG1-CG1 4.42Å; V154-V158 WeakPolarHBondContact O-CG1 3.39Å; V154-V158 WeakPolarHBondContact O-CG2 3.17Å; V154-V158 PolarHBondContact O-N 3.26Å; V154-V158 VanDerWaalsContact O-N 3.08Å; V154-K174 HydrophobicContact CG1-CG 4.09Å
155D93.9Very high94.6Very high7 Ų732 Ų324%0.03716%0.159CC..Hα-helixtrans-62.4-34.4176.9-75.4-38.3000112R83 H151 D152 L159 K174R83-D155 HydrophobicContact CB-CB 4.21Å; R83-D155 HydrophobicContact CG-CB 4.33Å; H151-D155 IonicContact CE1-OD2 3.03Å; H151-D155 IonicContact CG-OD2 2.77Å; H151-D155 IonicContact ND1-OD2 2.89Å; H151-D155 PolarHBondContact ND1-OD2 3.19Å; H151-D155 PolarHBondContact O-N 2.78Å; D152-D155 PolarHBondContact O-N 2.85Å; D155-L159 WeakPolarHBondContact O-CG 3.49Å; D155-K174 WeakPolarHBondContact OD1-CE 3.22Å; D155-K174 IonicContact OD1-NZ 3.65Å; D155-K174 PolarHBondContact OD1-NZ 3.45Å
156K94.1Very high94.4Very high44 Ų4433.5 Ų33.519%0.19117%0.168CC..Hα-helixtrans-69.5-49.1175.5-172.6172.9174.9173.10111.6D64 Y123 D152 P153 V154 L159D64-K156 IonicContact OD1-NZ 2.74Å; D64-K156 IonicContact OD2-NZ 2.69Å; D64-K156 PolarHBondContact OD2-NZ 3.02Å; Y123-K156 HydrophobicContact CD1-CB 4.48Å; Y123-K156 HydrophobicContact CD1-CD 4.03Å; Y123-K156 HydrophobicContact CD1-CG 4.05Å; D152-K156 VanDerWaalsContact O-CB 3.3Å; D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 PolarHBondContact O-N 3.03Å; P153-K156 PolarHBondContact O-N 3.06Å; V154-K156 VanDerWaalsContact C-N 3.29Å; V154-K156 PolarHBondContact O-N 3.34Å; K156-L159 PolarHBondContact O-N 3.47Å
157I94.9Very high94.2Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-59.9-49.9-178.8-71.3161.4000110.7L102 F120 Y123 F148 P153 V154 L159 Q160 H163 V172L102-I157 HydrophobicContact CD1-CB 4.39Å; L102-I157 HydrophobicContact CD1-CG2 3.84Å; L102-I157 HydrophobicContact CD2-CD1 4.07Å; L102-I157 HydrophobicContact CD2-CG2 3.81Å; L102-I157 HydrophobicContact CG-CG2 4.5Å; F120-I157 HydrophobicContact CD1-CD1 3.56Å; F120-I157 HydrophobicContact CD1-CG1 4.26Å; F120-I157 HydrophobicContact CE1-CD1 3.95Å; F120-I157 HydrophobicContact CE1-CG1 4.35Å; F120-I157 HydrophobicContact CE1-CG2 3.95Å; Y123-I157 HydrophobicContact CD1-CD1 4.21Å; Y123-I157 HydrophobicContact CD1-CG1 3.37Å; Y123-I157 HydrophobicContact CD2-CD1 4.03Å; Y123-I157 HydrophobicContact CD2-CG1 3.88Å; Y123-I157 HydrophobicContact CE1-CG1 3.83Å; Y123-I157 HydrophobicContact CE2-CG1 4.29Å; Y123-I157 HydrophobicContact CG-CD1 3.75Å; Y123-I157 HydrophobicContact CG-CG1 3.44Å; Y123-I157 VanDerWaalsContact CG-CG1 3.44Å; F148-I157 HydrophobicContact CE1-CD1 4.39Å; F148-I157 HydrophobicContact CE2-CD1 3.83Å; F148-I157 HydrophobicContact CZ-CD1 3.44Å; F148-I157 VanDerWaalsContact CZ-CD1 3.44Å; P153-I157 WeakPolarHBondContact O-CB 3.2Å; P153-I157 VanDerWaalsContact O-CD1 3.28Å; P153-I157 WeakPolarHBondContact O-CD1 3.48Å; P153-I157 WeakPolarHBondContact O-CG1 3.24Å; P153-I157 PolarHBondContact O-N 2.92Å; V154-I157 PolarHBondContact O-N 2.78Å; I157-L159 PolarHBondContact O-N 3.3Å; I157-Q160 PolarHBondContact O-N 3.34Å; I157-Q160 VanDerWaalsContact O-O 3.12Å; I157-H163 PolarHBondContact O-NE2 3.24Å; I157-V172 HydrophobicContact CG2-CB 3.96Å; I157-V172 HydrophobicContact CG2-CG1 4.19Å; I157-V172 HydrophobicContact CG2-CG2 3.69Å
158V93.3Very high93.9Very high25 Ų2536.2 Ų36.215%0.15220%0.197CC..THydrogen-bonded Turntrans-69.2-9.8-172.5-58.90000115L102 V154 Q160 K174L102-V158 HydrophobicContact CD1-CG1 3.72Å; V154-V158 HydrophobicContact CG1-CG1 4.42Å; V154-V158 WeakPolarHBondContact O-CG1 3.39Å; V154-V158 WeakPolarHBondContact O-CG2 3.17Å; V154-V158 PolarHBondContact O-N 3.26Å; V154-V158 VanDerWaalsContact O-N 3.08Å; V158-Q160 PolarHBondContact O-N 2.8Å; V158-K174 HydrophobicContact CG1-CG 4.2Å; V158-K174 HydrophobicContact CG2-CG 4.37Å
159L90.3Very high93.7Very high34 Ų3440.9 Ų40.918%0.17822%0.222CC..THydrogen-bonded Turntrans-62.9-25.2168-62175.6000112Q7 F8 R83 D155 K156 I157Q7-L159 HydrophobicContact CG-CD2 4.26Å; F8-L159 HydrophobicContact CD1-CB 3.87Å; F8-L159 HydrophobicContact CD1-CD1 3.77Å; F8-L159 HydrophobicContact CD1-CG 4.45Å; F8-L159 HydrophobicContact CE1-CB 3.52Å; F8-L159 HydrophobicContact CE1-CD1 4.32Å; F8-L159 HydrophobicContact CZ-CB 4.48Å; R83-L159 HydrophobicContact CB-CD1 4.37Å; D155-L159 WeakPolarHBondContact O-CG 3.49Å; K156-L159 PolarHBondContact O-N 3.47Å; I157-L159 PolarHBondContact O-N 3.3Å
160Q90.6Very high93.7Very high92 Ų9238.1 Ų38.143%0.4321%0.207SC..SBendtrans-108.6103.9170.5175.2166.8-41.600109.1I157 V158 Y162 H163 V172I157-Q160 PolarHBondContact O-N 3.34Å; I157-Q160 VanDerWaalsContact O-O 3.12Å; V158-Q160 PolarHBondContact O-N 2.8Å; Q160-Y162 VanDerWaalsContact CG-O 3.23Å; Q160-Y162 WeakPolarHBondContact CG-O 3.47Å; Q160-Y162 PolarHBondContact NE2-O 2.78Å; Q160-Y162 PolarHBondContact O-N 2.98Å; Q160-H163 PolarHBondContact O-CD2 2.73Å; Q160-H163 VanDerWaalsContact O-CD2 3.23Å; Q160-H163 PolarHBondContact O-NE2 2.93Å; Q160-V172 WeakPolarHBondContact O-CG2 3.49Å
161K89.4Confident93.7Very high64 Ų6439.1 Ų39.128%0.27821%0.211SC..SBendtrans-60.9-21.4-176.6-175.7168.1-177.4-70.20114.7E171 V172K161-E171 VanDerWaalsContact CE-OE1 3.24Å; K161-E171 WeakPolarHBondContact CE-OE1 3.31Å; K161-E171 HydrophobicContact CG-CG 4.31Å; K161-E171 IonicContact NZ-OE1 3.99Å; K161-E171 PolarHBondContact NZ-OE1 3.03Å; K161-E171 IonicContact NZ-OE2 2.66Å; K161-E171 PolarHBondContact NZ-OE2 2.85Å; K161-E171 WeakPolarHBondContact O-CA 3.4Å; K161-V172 PolarHBondContact O-N 2.64Å; K161-V172 VanDerWaalsContact O-N 3.14Å
162Y94.5Very high93.7Very high109 Ų10938.1 Ų38.143%0.42721%0.207SC..EExtended strand (participates in β ladder)trans-134123.8-168-71.7-63.5000111.8Q160 N169 A170 E171Q160-Y162 VanDerWaalsContact CG-O 3.23Å; Q160-Y162 WeakPolarHBondContact CG-O 3.47Å; Q160-Y162 PolarHBondContact NE2-O 2.78Å; Q160-Y162 PolarHBondContact O-N 2.98Å; Y162-N169 WeakPolarHBondContact CB-OD1 3.43Å; Y162-A170 WeakPolarHBondContact CA-O 3.26Å; Y162-E171 HydrophobicContact CD1-CB 4.3Å; Y162-E171 HydrophobicContact CE1-CB 4.04Å; Y162-E171 HydrophobicContact CE1-CG 4.42Å
163H95.4Very high93.6Very high1 Ų141.6 Ų41.61%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-126.6135.5-179.6-70.8-104.8000110.4Y119 I157 Q160 I165 A170 V172Y119-H163 HydrophobicContact CE1-CB 3.75Å; Y119-H163 AromaticContact CE1-CG 3.88Å; Y119-H163 AromaticContact CE1-ND1 3.41Å; Y119-H163 WeakPolarHBondContact CE1-ND1 3.39Å; Y119-H163 AromaticContact CZ-ND1 3.54Å; Y119-H163 PolarHBondContact OH-ND1 2.77Å; I157-H163 PolarHBondContact O-NE2 3.24Å; Q160-H163 PolarHBondContact O-CD2 2.73Å; Q160-H163 VanDerWaalsContact O-CD2 3.23Å; Q160-H163 PolarHBondContact O-NE2 2.93Å; H163-I165 HydrophobicContact CB-CD1 4.16Å; H163-I165 HydrophobicContact CB-CG1 4.08Å; H163-I165 PolarHBondContact O-N 2.89Å; H163-A170 PolarHBondContact N-O 2.67Å; H163-A170 PolarHBondContact O-N 2.83Å; H163-V172 HydrophobicContact CB-CG1 4.39Å; H163-V172 VanDerWaalsContact CD2-CG2 3.44Å; H163-V172 WeakPolarHBondContact CD2-CG2 3.1Å
164T94.6Very high93.5Very high96 Ų9642.6 Ų42.659%0.58922%0.222SC*.EExtended strand (participates in β ladder)trans-86.1106.7176.6-57.20000109.5H168T164-H168 CarbonylContact C-O 3.56Å; T164-H168 WeakPolarHBondContact CA-O 3.11Å
165I93.6Very high93.3Very high2 Ų243.1 Ų43.11%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-126.6127.3-175.9-47.6178.1000108.5V104 H115 L116 Y119 F120 H163 G167 H168 A170V104-I165 HydrophobicContact CG1-CD1 4.18Å; H115-I165 VanDerWaalsContact O-CG2 3.29Å; H115-I165 WeakPolarHBondContact O-CG2 3.19Å; L116-I165 HydrophobicContact CD2-CG2 4.04Å; Y119-I165 HydrophobicContact CD1-CD1 3.57Å; Y119-I165 HydrophobicContact CD1-CG1 3.61Å; Y119-I165 HydrophobicContact CD2-CG1 4.45Å; Y119-I165 HydrophobicContact CE1-CD1 3.96Å; Y119-I165 HydrophobicContact CE1-CG1 3.88Å; Y119-I165 HydrophobicContact CG-CD1 4.27Å; Y119-I165 HydrophobicContact CG-CG1 3.93Å; Y119-I165 HydrophobicContact CG-CG2 4.34Å; F120-I165 HydrophobicContact CE1-CD1 4.38Å; F120-I165 HydrophobicContact CE2-CD1 3.51Å; F120-I165 HydrophobicContact CZ-CD1 3.44Å; F120-I165 VanDerWaalsContact CZ-CD1 3.44Å; H163-I165 HydrophobicContact CB-CD1 4.16Å; H163-I165 HydrophobicContact CB-CG1 4.08Å; H163-I165 PolarHBondContact O-N 2.89Å; I165-G167 PolarHBondContact O-N 2.96Å; I165-H168 PolarHBondContact N-O 3.42Å; I165-H168 PolarHBondContact O-N 3.3Å; I165-A170 HydrophobicContact CD1-CB 4.13Å; I165-A170 HydrophobicContact CG1-CB 4.41Å
166N91.9Very high93Very high62 Ų6243.9 Ų43.933%0.33223%0.231SC..THydrogen-bonded Turntrans49.235.2-170-161.523.6000114.1D110 T111 H115 H168D110-N166 PolarHBondContact OD1-ND2 3.45Å; T111-N166 HydrophobicContact CG2-CB 4.27Å; H115-N166 HydrophobicContact CB-CB 4.35Å; H115-N166 PolarHBondContact CD2-OD1 3.5Å; H115-N166 VanDerWaalsContact CD2-OD1 3.32Å; H115-N166 PolarHBondContact NE2-OD1 2.88Å; N166-H168 PolarHBondContact O-CD2 3.04Å; N166-H168 PolarHBondContact O-CE1 3.45Å; N166-H168 PolarHBondContact O-N 3.03Å; N166-H168 PolarHBondContact O-NE2 3.45Å
167G91.7Very high92.5Very high68 Ų6844.1 Ų44.170%0.70124%0.238SC*.THydrogen-bonded Turntrans74.31.7-175.700000115.6I165I165-G167 PolarHBondContact O-N 2.96Å
168H92.3Very high91.8Very high19 Ų1954 Ų549%0.08828%0.275CS..EExtended strand (participates in β ladder)trans-102.7143.1176.4-46-52000111.2K108 D110 T111 T164 I165 N166 A170K108-H168 VanDerWaalsContact CD-CE1 3.49Å; K108-H168 WeakPolarHBondContact CD-CE1 3.41Å; K108-H168 WeakPolarHBondContact CE-ND1 3.5Å; K108-H168 PolarHBondContact NZ-CE1 2.84Å; K108-H168 VanDerWaalsContact NZ-CE1 3.27Å; K108-H168 PolarHBondContact NZ-ND1 2.92Å; D110-H168 IonicContact OD1-CD2 3.45Å; D110-H168 PolarHBondContact OD1-CD2 3.14Å; D110-H168 IonicContact OD1-CE1 3.26Å; D110-H168 IonicContact OD1-NE2 3.59Å; D110-H168 PolarHBondContact OD1-NE2 2.61Å; D110-H168 IonicContact OD2-CE1 2.6Å; D110-H168 PolarHBondContact OD2-CE1 2.8Å; D110-H168 VanDerWaalsContact OD2-CE1 3.24Å; D110-H168 IonicContact OD2-NE2 3.61Å; D110-H168 PolarHBondContact OD2-NE2 2.85Å; T111-H168 PolarHBondContact OG1-CD2 2.85Å; T164-H168 CarbonylContact C-O 3.56Å; T164-H168 WeakPolarHBondContact CA-O 3.11Å; I165-H168 PolarHBondContact N-O 3.42Å; I165-H168 PolarHBondContact O-N 3.3Å; N166-H168 PolarHBondContact O-CD2 3.04Å; N166-H168 PolarHBondContact O-CE1 3.45Å; N166-H168 PolarHBondContact O-N 3.03Å; N166-H168 PolarHBondContact O-NE2 3.45Å; H168-A170 PolarHBondContact O-N 2.8Å; H168-A170 VanDerWaalsContact O-N 3.16Å
169N94.2Very high91.1Very high97 Ų9759.7 Ų59.752%0.51930%0.3SS..EExtended strand (participates in β ladder)trans-82.590.8176.6-17539.3000110.6Y162Y162-N169 WeakPolarHBondContact CB-OD1 3.43Å
170A95.4Very high90.6Very high0 Ų061 Ų610%031%0.305CS..EExtended strand (participates in β ladder)trans-79.2139.7-18000000111.9V104 G105 I107 Y162 H163 I165 H168V104-A170 HydrophobicContact CG1-CB 4.03Å; G105-A170 CarbonylContact O-C 3.51Å; G105-A170 WeakPolarHBondContact O-CA 3.25Å; G105-A170 WeakPolarHBondContact O-CB 3.46Å; I107-A170 HydrophobicContact CG2-CB 4.04Å; Y162-A170 WeakPolarHBondContact CA-O 3.26Å; H163-A170 PolarHBondContact N-O 2.67Å; H163-A170 PolarHBondContact O-N 2.83Å; I165-A170 HydrophobicContact CD1-CB 4.13Å; I165-A170 HydrophobicContact CG1-CB 4.41Å; H168-A170 PolarHBondContact O-N 2.8Å; H168-A170 VanDerWaalsContact O-N 3.16Å
171E95.2Very high89.9Confident55 Ų5559.9 Ų59.926%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-93120.5169.1177.6164.7160.500110.1G105 K161 Y162 R173G105-E171 PolarHBondContact N-O 3.42Å; G105-E171 PolarHBondContact O-N 3.27Å; K161-E171 VanDerWaalsContact CE-OE1 3.24Å; K161-E171 WeakPolarHBondContact CE-OE1 3.31Å; K161-E171 HydrophobicContact CG-CG 4.31Å; K161-E171 IonicContact NZ-OE1 3.99Å; K161-E171 PolarHBondContact NZ-OE1 3.03Å; K161-E171 IonicContact NZ-OE2 2.66Å; K161-E171 PolarHBondContact NZ-OE2 2.85Å; K161-E171 WeakPolarHBondContact O-CA 3.4Å; Y162-E171 HydrophobicContact CD1-CB 4.3Å; Y162-E171 HydrophobicContact CE1-CB 4.04Å; Y162-E171 HydrophobicContact CE1-CG 4.42Å; E171-R173 HydrophobicContact CG-CG 4.26Å; E171-R173 WeakPolarHBondContact OE1-CD 3.04Å
172V95Very high89.4Confident3 Ų362.6 Ų62.62%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-102.8139.2180-58.30000111.2L102 F103 F120 I157 Q160 K161 H163L102-V172 HydrophobicContact CD1-CB 4.27Å; L102-V172 HydrophobicContact CD2-CB 4.47Å; L102-V172 HydrophobicContact CD2-CG1 4.43Å; F103-V172 WeakPolarHBondContact O-CA 3.49Å; F120-V172 HydrophobicContact CE1-CG1 4.37Å; F120-V172 HydrophobicContact CZ-CG1 3.95Å; I157-V172 HydrophobicContact CG2-CB 3.96Å; I157-V172 HydrophobicContact CG2-CG1 4.19Å; I157-V172 HydrophobicContact CG2-CG2 3.69Å; Q160-V172 WeakPolarHBondContact O-CG2 3.49Å; K161-V172 PolarHBondContact O-N 2.64Å; K161-V172 VanDerWaalsContact O-N 3.14Å; H163-V172 HydrophobicContact CB-CG1 4.39Å; H163-V172 VanDerWaalsContact CD2-CG2 3.44Å; H163-V172 WeakPolarHBondContact CD2-CG2 3.1Å
173R92.7Very high88.6Confident88 Ų8863.1 Ų63.133%0.33232%0.321SS..EExtended strand (participates in β ladder)trans-150.1156.3-179.8-62.2-176.462.6-173.3-9.7111F103 E171 A175F103-R173 HydrophobicContact CD1-CB 4.3Å; F103-R173 PolarHBondContact N-O 2.66Å; F103-R173 PolarHBondContact O-N 3.05Å; E171-R173 HydrophobicContact CG-CG 4.26Å; E171-R173 WeakPolarHBondContact OE1-CD 3.04Å; R173-A175 PolarHBondContact O-N 3.47Å
174K94.3Very high87.5Confident28 Ų2863.9 Ų63.912%0.12233%0.326CS..EExtended strand (participates in β ladder)trans-56.8127.8166.3-70.5-173.5172.1-173.60109.9A95 V97 V99 V154 D155 V158 L176A95-K174 PolarHBondContact O-NZ 3.09Å; V97-K174 WeakPolarHBondContact O-CD 3.25Å; V97-K174 PolarHBondContact O-NZ 2.88Å; V99-K174 HydrophobicContact CG2-CB 3.73Å; V99-K174 HydrophobicContact CG2-CD 4.26Å; V99-K174 HydrophobicContact CG2-CG 3.93Å; V154-K174 HydrophobicContact CG1-CG 4.09Å; D155-K174 WeakPolarHBondContact OD1-CE 3.22Å; D155-K174 IonicContact OD1-NZ 3.65Å; D155-K174 PolarHBondContact OD1-NZ 3.45Å; V158-K174 HydrophobicContact CG1-CG 4.2Å; V158-K174 HydrophobicContact CG2-CG 4.37Å; K174-L176 PolarHBondContact O-N 3.3Å
175A92.8Very high86.3Confident12 Ų1265 Ų6510%0.09933%0.325CS..  trans-79.3110178.400000110K101 F103 F145 R173K101-A175 HydrophobicContact CB-CB 3.99Å; K101-A175 HydrophobicContact CG-CB 3.89Å; K101-A175 WeakPolarHBondContact O-CB 3.27Å; K101-A175 PolarHBondContact O-N 3.11Å; F103-A175 HydrophobicContact CB-CB 4.21Å; F145-A175 HydrophobicContact CD1-CB 3.71Å; F145-A175 HydrophobicContact CE1-CB 3.85Å; R173-A175 PolarHBondContact O-N 3.47Å
176L87.5Confident85.1Confident22 Ų2268.6 Ų68.612%0.11535%0.35CS..  trans-82.1152.8172.8-56.3-178.1000110.6K174 E180 V184K174-L176 PolarHBondContact O-N 3.3Å; L176-E180 HydrophobicContact CB-CB 3.89Å; L176-E180 HydrophobicContact CD1-CB 4.43Å; L176-V184 HydrophobicContact CD1-CG2 4.2Å
177S82.6Confident83.6Confident50 Ų5068.9 Ų68.935%0.3536%0.357SS..  trans-60.8165.4172.371.20000111.5Q179 E180 M181S177-Q179 PolarHBondContact O-N 3.4Å; S177-E180 WeakPolarHBondContact CA-OE2 3.18Å; S177-E180 WeakPolarHBondContact CB-OE2 3.44Å; S177-E180 PolarHBondContact N-OE2 3.3Å; S177-E180 WeakPolarHBondContact OG-CG 3.25Å; S177-E180 PolarHBondContact OG-N 3.07Å; S177-E180 PolarHBondContact OG-OE2 3.25Å; S177-M181 VanDerWaalsContact O-CB 3.25Å; S177-M181 WeakPolarHBondContact O-CB 3.49Å; S177-M181 PolarHBondContact O-N 3.19Å
178R80.2Confident81.9Confident207 Ų20773 Ų7378%0.78135%0.351SS*.Hα-helixtrans-63.1-27.1178.5-66.3-174.9-177.1173.34.3113Q182R178-Q182 VanDerWaalsContact O-CD 3.32Å; R178-Q182 WeakPolarHBondContact O-CG 3.42Å; R178-Q182 PolarHBondContact O-N 2.8Å; R178-Q182 PolarHBondContact O-NE2 3.01Å
179Q79.4Confident79.9Confident144 Ų14476.9 Ų76.967%0.67338%0.38SS*.Hα-helixtrans-75.2-56.6178.1-72.6169.8-39.300110.4S177 M181 Q182 E183S177-Q179 PolarHBondContact O-N 3.4Å; Q179-M181 PolarHBondContact O-N 2.89Å; Q179-Q182 WeakPolarHBondContact O-CA 3.32Å; Q179-Q182 WeakPolarHBondContact O-CB 3.31Å; Q179-Q182 PolarHBondContact O-N 3.2Å; Q179-E183 PolarHBondContact O-N 3.33Å
180E79.7Confident77.8Confident61 Ų6175.6 Ų75.629%0.28539%0.39SS..Hα-helixtrans-52.8-42173.5-67.9164.1101.400111.6L176 S177 Q182 E183 V184L176-E180 HydrophobicContact CB-CB 3.89Å; L176-E180 HydrophobicContact CD1-CB 4.43Å; S177-E180 WeakPolarHBondContact CA-OE2 3.18Å; S177-E180 WeakPolarHBondContact CB-OE2 3.44Å; S177-E180 PolarHBondContact N-OE2 3.3Å; S177-E180 WeakPolarHBondContact OG-CG 3.25Å; S177-E180 PolarHBondContact OG-N 3.07Å; S177-E180 PolarHBondContact OG-OE2 3.25Å; E180-Q182 VanDerWaalsContact C-N 3.33Å; E180-Q182 PolarHBondContact O-N 3.36Å; E180-E183 PolarHBondContact O-N 3.24Å; E180-V184 WeakPolarHBondContact O-CB 3.48Å; E180-V184 WeakPolarHBondContact O-CG2 3.28Å; E180-V184 PolarHBondContact O-N 3.18Å
181M76Confident75.5Confident69 Ų6986.4 Ų86.434%0.3443%0.431SS..Hα-helixtrans-65.1-34178.3-170177.3-64.600112.8S177 Q179 Q185S177-M181 VanDerWaalsContact O-CB 3.25Å; S177-M181 WeakPolarHBondContact O-CB 3.49Å; S177-M181 PolarHBondContact O-N 3.19Å; Q179-M181 PolarHBondContact O-N 2.89Å; M181-Q185 VanDerWaalsContact O-CG 3.25Å; M181-Q185 WeakPolarHBondContact O-CG 3.33Å; M181-Q185 PolarHBondContact O-N 2.95Å; M181-Q185 VanDerWaalsContact O-N 3.09Å
182Q79.1Confident72.9Confident122 Ų12286.7 Ų86.757%0.5745%0.448SS*.Hα-helixtrans-70.8-41.5174.3-74.6166.527.500111.3R178 Q179 E180 V184 Q185 S186R178-Q182 VanDerWaalsContact O-CD 3.32Å; R178-Q182 WeakPolarHBondContact O-CG 3.42Å; R178-Q182 PolarHBondContact O-N 2.8Å; R178-Q182 PolarHBondContact O-NE2 3.01Å; Q179-Q182 WeakPolarHBondContact O-CA 3.32Å; Q179-Q182 WeakPolarHBondContact O-CB 3.31Å; Q179-Q182 PolarHBondContact O-N 3.2Å; E180-Q182 VanDerWaalsContact C-N 3.33Å; E180-Q182 PolarHBondContact O-N 3.36Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 3.27Å; Q182-Q185 PolarHBondContact O-N 3.07Å; Q182-Q185 VanDerWaalsContact O-N 3.14Å; Q182-S186 PolarHBondContact O-N 2.88Å; Q182-S186 PolarHBondContact O-OG 3.18Å
183E77.2Confident70.2Confident119 Ų11989 Ų8956%0.55647%0.473SS*.Hα-helixtrans-62.1-38.4174.1-67.5166-166.100112.1Q179 E180 Q185 S186 S187Q179-E183 PolarHBondContact O-N 3.33Å; E180-E183 PolarHBondContact O-N 3.24Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-S186 PolarHBondContact O-OG 3.44Å; E183-S186 VanDerWaalsContact O-OG 3.11Å; E183-S187 VanDerWaalsContact O-CB 3.26Å; E183-S187 WeakPolarHBondContact O-CB 3.35Å; E183-S187 PolarHBondContact O-N 2.96Å; E183-S187 PolarHBondContact O-OG 3.33Å
184V72.7Confident67.7Low18 Ų1892.4 Ų92.411%0.10950%0.497CS..Hα-helixtrans-70.7-26.9174.6172.60000112.6P93 L176 E180 Q182 S187 R188P93-V184 HydrophobicContact CB-CG2 3.49Å; P93-V184 VanDerWaalsContact CB-CG2 3.49Å; P93-V184 HydrophobicContact CG-CB 4.21Å; P93-V184 HydrophobicContact CG-CG1 3.79Å; P93-V184 HydrophobicContact CG-CG2 3.4Å; P93-V184 VanDerWaalsContact CG-CG2 3.4Å; L176-V184 HydrophobicContact CD1-CG2 4.2Å; E180-V184 WeakPolarHBondContact O-CB 3.48Å; E180-V184 WeakPolarHBondContact O-CG2 3.28Å; E180-V184 PolarHBondContact O-N 3.18Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 3.27Å; V184-S187 WeakPolarHBondContact CA-OG 3.46Å; V184-S187 PolarHBondContact O-OG 3.29Å; V184-R188 WeakPolarHBondContact O-CB 3.42Å; V184-R188 WeakPolarHBondContact O-CD 3.48Å; V184-R188 VanDerWaalsContact O-CG 3.25Å; V184-R188 WeakPolarHBondContact O-CG 3.28Å; V184-R188 PolarHBondContact O-N 3.29Å
185Q69.8Low65Low120 Ų12099.8 Ų99.856%0.56153%0.53SS*.Hα-helixtrans-80.6-43.2174.4-74.3172.815.200111.8M181 Q182 E183 R188 S189M181-Q185 VanDerWaalsContact O-CG 3.25Å; M181-Q185 WeakPolarHBondContact O-CG 3.33Å; M181-Q185 PolarHBondContact O-N 2.95Å; M181-Q185 VanDerWaalsContact O-N 3.09Å; Q182-Q185 PolarHBondContact O-N 3.07Å; Q182-Q185 VanDerWaalsContact O-N 3.14Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-R188 PolarHBondContact O-N 3.01Å; Q185-S189 PolarHBondContact O-N 3.31Å
186S66.7Low62.3Low77 Ų77102 Ų10254%0.53855%0.554SS.*Hα-helixtrans-65.3-43.7177.664.50000111.9Q182 E183 R188 S189 G190Q182-S186 PolarHBondContact O-N 2.88Å; Q182-S186 PolarHBondContact O-OG 3.18Å; E183-S186 PolarHBondContact O-OG 3.44Å; E183-S186 VanDerWaalsContact O-OG 3.11Å; S186-R188 VanDerWaalsContact C-N 3.27Å; S186-R188 PolarHBondContact O-N 3.42Å; S186-S189 PolarHBondContact O-N 2.86Å; S186-G190 PolarHBondContact O-N 3.14Å
187S60.9Low59.9Low68 Ų68110.4 Ų110.448%0.47659%0.59SS.*Hα-helixtrans-66.7-22.617657.90000114.2E183 V184E183-S187 VanDerWaalsContact O-CB 3.26Å; E183-S187 WeakPolarHBondContact O-CB 3.35Å; E183-S187 PolarHBondContact O-N 2.96Å; E183-S187 PolarHBondContact O-OG 3.33Å; V184-S187 WeakPolarHBondContact CA-OG 3.46Å; V184-S187 PolarHBondContact O-OG 3.29Å
188R56Low57.7Low155 Ų155111 Ų11159%0.58560%0.604SS**Hα-helixtrans-78.9-42168.8-78.6177.1173-146.2-5.8112.2V184 Q185 S186 R191V184-R188 WeakPolarHBondContact O-CB 3.42Å; V184-R188 WeakPolarHBondContact O-CD 3.48Å; V184-R188 VanDerWaalsContact O-CG 3.25Å; V184-R188 WeakPolarHBondContact O-CG 3.28Å; V184-R188 PolarHBondContact O-N 3.29Å; Q185-R188 PolarHBondContact O-N 3.01Å; S186-R188 VanDerWaalsContact C-N 3.27Å; S186-R188 PolarHBondContact O-N 3.42Å; R188-R191 PolarHBondContact O-N 2.98Å
189S50.9Low55.7Low100 Ų100107.9 Ų107.970%0.69960%0.603SS**Hα-helixtrans-62.4-44.7177.1-163.40000111.5Q185 S186 R191 G192Q185-S189 PolarHBondContact O-N 3.31Å; S186-S189 PolarHBondContact O-N 2.86Å; S189-R191 PolarHBondContact O-N 2.77Å; S189-G192 PolarHBondContact O-N 2.81Å
190G49.9Very low54Low70 Ų70106.2 Ų106.272%0.72261%0.607SS**THydrogen-bonded Turntrans-70.73.6177.800000116S186S186-G190 PolarHBondContact O-N 3.14Å
191R46.8Very low52.1Low227 Ų227114.7 Ų114.786%0.85764%0.637SS**THydrogen-bonded Turntrans-116.73.3175.1-117.1179.5-176.4179.82.3114.3R188 S189 G193R188-R191 PolarHBondContact O-N 2.98Å; S189-R191 PolarHBondContact O-N 2.77Å; R191-G193 PolarHBondContact O-N 2.87Å
192G40.6Very low50.3Low60 Ų60114.7 Ų114.762%0.61965%0.654SS**SBendtrans-63.4111.1155.300000107.8S189 N194S189-G192 PolarHBondContact O-N 2.81Å; G192-N194 PolarHBondContact O-N 3.43Å
193G39.3Very low48.3Very low52 Ų52113.2 Ų113.254%0.53667%0.671SS.*  trans-57.8131.2-165.800000113R191 F195R191-G193 PolarHBondContact O-N 2.87Å; G193-F195 WeakPolarHBondContact O-CD2 3.44Å; G193-F195 PolarHBondContact O-N 3.1Å
194N40Very low46.3Very low160 Ų160111.4 Ų111.486%0.85669%0.685SS**  trans-63.679.4157.2-179.886.8000108G192 G196G192-N194 PolarHBondContact O-N 3.43Å; N194-G196 PolarHBondContact O-N 2.77Å
195F36Very low44.5Very low183 Ų183113.8 Ų113.880%0.80371%0.713SS**  trans-62.994161.1-75.5-79000106.1G193 F197G193-F195 WeakPolarHBondContact O-CD2 3.44Å; G193-F195 PolarHBondContact O-N 3.1Å; F195-F197 VanDerWaalsContact C-N 3.29Å; F195-F197 PolarHBondContact O-N 2.76Å
196G37.2Very low42.8Very low59 Ų59115.3 Ų115.361%0.60873%0.725SS**  trans-61.397.2171.500000108.2N194 G198N194-G196 PolarHBondContact O-N 2.77Å; G196-G198 VanDerWaalsContact C-N 3.27Å; G196-G198 PolarHBondContact O-N 2.89Å
197F37.3Very low41.6Very low197 Ų197122 Ų12286%0.86475%0.745SS**  trans-53.7104.6151.1-77.8-87.6000105.3F195 D199F195-F197 VanDerWaalsContact C-N 3.29Å; F195-F197 PolarHBondContact O-N 2.76Å; F197-D199 PolarHBondContact O-N 3.35Å
198G36.7Very low40.6Very low62 Ų62122 Ų12264%0.63976%0.755SS**  trans-66.498.9-176.300000108.2G196 S200G196-G198 VanDerWaalsContact C-N 3.27Å; G196-G198 PolarHBondContact O-N 2.89Å; G198-S200 PolarHBondContact O-N 2.82Å; G198-S200 PolarHBondContact O-OG 3.11Å
199D38Very low40Very low142 Ų142121.3 Ų121.376%0.75977%0.771SS**  trans-75.967.6-176.3-145-40.6000110.5F197 R201 G202F197-D199 PolarHBondContact O-N 3.35Å; D199-R201 PolarHBondContact O-N 2.98Å; D199-G202 PolarHBondContact O-N 2.69Å
200S43.1Very low39.4Very low110 Ų110119.9 Ų119.977%0.76977%0.772SS**THydrogen-bonded Turntrans-7550.6-179.1-61.10000111.4G198G198-S200 PolarHBondContact O-N 2.82Å; G198-S200 PolarHBondContact O-OG 3.11Å
201R39.4Very low39Very low239 Ų239122.8 Ų122.890%0.90278%0.779SS**THydrogen-bonded Turntrans-15217.5169.8-97.1128.4-163.5-992.3114D199D199-R201 PolarHBondContact O-N 2.98Å
202G38.9Very low38.6Very low69 Ų69115.8 Ų115.871%0.71178%0.777SS**  trans-91.6-0.217500000117D199 G204D199-G202 PolarHBondContact O-N 2.69Å; G202-G204 VanDerWaalsContact C-N 3.26Å; G202-G204 PolarHBondContact O-N 3.42Å
203G37Very low38.8Very low90 Ų90117.8 Ų117.893%0.92878%0.781SS**  trans-77.353.2-171.500000115.9
204G35.9Very low38.9Very low81 Ų81121 Ų12184%0.83579%0.786SS**  trans-111.385.6-176.400000114.3G202G202-G204 VanDerWaalsContact C-N 3.26Å; G202-G204 PolarHBondContact O-N 3.42Å
205G33.6Very low39Very low69 Ų69120.8 Ų120.871%0.71178%0.778SS**  trans164.1149166.400000117.5
206N35.3Very low39.1Very low152 Ų152123.2 Ų123.281%0.81378%0.782SS**  trans74.649.7153.9-154.768000121.1
207F41.2Very low39Very low217 Ų217124 Ų12495%0.95279%0.789SS**  trans-149.5141.7142.3-59.2-81.8000106.6
208G39.7Very low39Very low67 Ų67118.4 Ų118.469%0.69179%0.787SS**  cis-178150.4-7.300000106.8
209P43.4Very low39Very low141 Ų141120.1 Ų120.192%0.91679%0.79SS**  trans-87120.2-161.531.4-35000116.4
210G37.5Very low39.1Very low71 Ų71119.9 Ų119.973%0.73279%0.788SS**  trans82.3-177.4162.100000116.7
211P42.4Very low38.7Very low131 Ų131118.5 Ų118.585%0.85179%0.792SS**  cis-129.8147.31.539.1-23.6000116.4
212G38.9Very low38.6Very low80 Ų80117.9 Ų117.983%0.82579%0.791SS**  trans68.6173.3167.600000115.5
213S43.6Very low38.5Very low101 Ų101117.9 Ų117.971%0.70679%0.791SS**  cis-158.2149.1-18.360.80000105.7
214N40.8Very low38.5Very low120 Ų120120 Ų12064%0.64279%0.791SS**  178.5160.260.9-112-33.9000110.3
215F42.3Very low38.5Very low155 Ų155118.9 Ų118.968%0.6878%0.781SS**  trans50.2116.6158.7-57.9-55.8000120.6
216R38.8Very low38.5Very low235 Ų235127.6 Ų127.689%0.88779%0.792SS**  62.1134.7100.5-66.8178.7178.3-173.3-0.4115.5
217G34.6Very low38.4Very low74 Ų74123.1 Ų123.176%0.76378%0.782SS**  cis144.4134.4-2.200000112.5
218G37.8Very low38.1Very low80 Ų80122.6 Ų122.683%0.82578%0.779SS**  trans76.4160.3-168.500000112.4
219S36.8Very low37.8Very low98 Ų98122.4 Ų122.469%0.68578%0.777SS**  cis-163.6-172.7-14.6-167.10000107.6
220D40.1Very low37.4Very low137 Ų137123.5 Ų123.573%0.73378%0.775SS**  trans63.886.6151.7-45.7-28.3000116.9
221G34.5Very low37.2Very low82 Ų82122.9 Ų122.985%0.84577%0.769SS**  trans-88.9146.6167.500000112.9
222Y37.8Very low36.9Very low226 Ų226126.7 Ų126.789%0.88677%0.768SS**  trans-147.2144.3159.746.4-89.4000109.3
223G36Very low36.8Very low69 Ų69128.2 Ų128.271%0.71176%0.757SS**  trans-101.7167.1-179.100000113.1
224S37.2Very low36.6Very low133 Ų133127.4 Ų127.493%0.9377%0.765SS**  trans70.4110.2164.9-161.10000118.2
225G35.4Very low36.4Very low59 Ų59131 Ų13161%0.60877%0.771SS**  130.4113.4117.600000118.6
226R34.3Very low36.1Very low251 Ų251127.6 Ų127.695%0.94778%0.779SS**  trans70.9145.9158.7-42.2173.1-163.7-152.12114.6
227G33.5Very low36Very low58 Ų58120.4 Ų120.460%0.59878%0.778SS**  cis155.9158.3-9.500000112.6
228F33.9Very low36.2Very low207 Ų207120.5 Ų120.591%0.90878%0.779SS**  trans70.5160.9168.3-47.4-79.5000118.3
229G33.9Very low36.5Very low62 Ų62123.1 Ų123.164%0.63978%0.782SS**  trans8992177.600000113.2
230D34.9Very low36.6Very low164 Ų164122.4 Ų122.488%0.87779%0.79SS**  65.4123.658.2-61-73.5000114.9
231G33.4Very low36.5Very low59 Ų59119.7 Ų119.761%0.60879%0.794SS**  trans148102.7149.200000120.3
232Y36.1Very low36.5Very low210 Ų210119.8 Ų119.882%0.82480%0.795SS**  trans63.2109133.8-52.7-69.6000123.3
233N38.1Very low36.4Very low113 Ų113116.5 Ų116.560%0.60479%0.793SS**  45.5117.5125.1-57.5-2.4000121.4Y235N233-Y235 HydrophobicContact CB-CE1 4.21Å; N233-Y235 HydrophobicContact CB-CE2 3.94Å; N233-Y235 WeakPolarHBondContact CB-OH 3.47Å; N233-Y235 PolarHBondContact ND2-OH 2.92Å; N233-Y235 VanDerWaalsContact ND2-OH 3.09Å
234G38.3Very low36.5Very low84 Ų84122.8 Ų122.887%0.86680%0.801SS**  trans-137.289.7167.400000112.8
235Y36.4Very low36.5Very low196 Ų196120.4 Ų120.477%0.76980%0.797SS**  trans-68.7145.8-165.9-44-96.2000116.8N233N233-Y235 HydrophobicContact CB-CE1 4.21Å; N233-Y235 HydrophobicContact CB-CE2 3.94Å; N233-Y235 WeakPolarHBondContact CB-OH 3.47Å; N233-Y235 PolarHBondContact ND2-OH 2.92Å; N233-Y235 VanDerWaalsContact ND2-OH 3.09Å
236G36.5Very low36.7Very low82 Ų82121.4 Ų121.485%0.84581%0.808SS**  trans88.8152.6152.400000117.5
237G36.2Very low37Very low85 Ų85115.1 Ų115.188%0.87680%0.802SS**  cis156.7150.2-9.900000113.8
238G39.2Very low37.4Very low75 Ų75117.6 Ų117.677%0.77381%0.808SS**  trans112.5155.5163.700000116.3
239P43.5Very low37.7Very low136 Ų136111.8 Ų111.888%0.88381%0.806SS**  trans-137.6177.1-148.340.6-21.3000116.7
240G40.2Very low37.9Very low83 Ų83120 Ų12086%0.85682%0.819SS**  trans106.4148.3162.200000114.4
241G38.1Very low38.1Very low80 Ų80116 Ų11683%0.82582%0.817SS**  cis-171.8142.1-6.700000110.5
242G34Very low38.3Very low84 Ų84117.4 Ų117.487%0.86683%0.832SS**  trans-84.9143.9176.700000111.9
243N35.8Very low38.5Very low157 Ų157111.4 Ų111.484%0.8483%0.834SS**  trans-145.4155.2161.4-164.119.3000111.4
244F36.8Very low38.6Very low201 Ų201118.1 Ų118.188%0.88285%0.851SS**  trans-96.3157.7-178.2-67.6-109.4000111.5
245G38.2Very low38.6Very low82 Ų82117.6 Ų117.685%0.84585%0.846SS**  trans148.1146.1158.300000115.2
246G39.3Very low39Very low81 Ų81112 Ų11284%0.83585%0.847SS**  trans114.188.9164.200000116.4
247S39.8Very low39.2Very low118 Ų118118.9 Ų118.983%0.82585%0.849SS**  trans-131.8171.1158.1-68.90000107.8
248P43.9Very low39.4Very low110 Ų110118.9 Ų118.971%0.71485%0.85SS**  cis-126151.4-45.435.5-22.8000111.5
249G38.9Very low39.5Very low85 Ų85119 Ų11988%0.87685%0.851SS**  trans-95.8107.5-178.200000114.6
250Y38.1Very low39.4Very low234 Ų234116.8 Ų116.892%0.91885%0.852SS**  trans-91.8131.7159.2-80.9-101.3000109.6
251G39.7Very low39.5Very low81 Ų81116.4 Ų116.484%0.83585%0.848SS**  trans-166115.7175.100000112
252G36.9Very low39.9Very low89 Ų89118.8 Ų118.892%0.91885%0.849SS**  trans-96.1139.3-179.900000112.7
253G41.6Very low40.2Very low83 Ų83118.1 Ų118.186%0.85684%0.843SS**  trans-113.7126.7172.200000111.6
254R40Very low40.5Very low254 Ų254121.2 Ų121.296%0.95884%0.844SS**  trans-96.3147.4172.6-85.6-174.8168.1-147.20.8111
255G38.1Very low40.6Very low74 Ų74115.2 Ų115.276%0.76384%0.839SS**  trans94.4114.4137.100000117.4
256G43.3Very low40.6Very low78 Ų78117.7 Ų117.780%0.80483%0.833SS**  trans-147.3133.6157.200000107.6
257Y41.4Very low40.6Very low226 Ų226122.2 Ų122.289%0.88683%0.832SS**  trans-141.9148.1-166.538.9-105.7000112.5
258G40.7Very low40.5Very low86 Ų86120.2 Ų120.289%0.88783%0.83SS**  trans126.6139.5175.600000113
259G41.5Very low40.2Very low77 Ų77119.2 Ų119.279%0.79484%0.84SS**  cis168.8142.5-8.900000113.6
260G41.7Very low40.2Very low89 Ų89118.7 Ų118.792%0.91884%0.835SS**  trans76.7153.9176.300000115.1
261G42.4Very low40.1Very low75 Ų75118.2 Ų118.277%0.77383%0.833SS**  cis-171.9150.6-6.900000110.5
262P45.4Very low40.1Very low130 Ų130118.2 Ų118.284%0.84483%0.833SS**  trans-101.2161.6-163.238.2-35.9000116
263G41.2Very low40.1Very low71 Ų71118 Ų11873%0.73283%0.831SS**  trans-136.2162.2171.200000112.1
264Y40.8Very low39.9Very low221 Ų221117.6 Ų117.687%0.86783%0.826SS**  trans-150.4163-157.344.3-100.1000113.7
265G40.4Very low39.8Very low75 Ų75115.2 Ų115.277%0.77382%0.819SS**  trans103.7144169.400000115
266N37.7Very low39.9Very low135 Ų135117.6 Ų117.672%0.72281%0.814SS**  cis146.9144.8-30.8-174.217.7000109.4
267Q39.9Very low39.6Very low175 Ų175121.3 Ų121.382%0.81882%0.815SS**  trans64.8150.3-179.2-58.9140.753.900114.9
268G37.7Very low39.3Very low76 Ų76121 Ų12178%0.78481%0.814SS**  cis-158.3154.6-1000000107.6
269G36.9Very low39Very low89 Ų89120.7 Ų120.792%0.91881%0.812SS**  95.8106.372.400000110.8
270G39Very low38.8Very low74 Ų74120.8 Ų120.876%0.76381%0.812SS**  trans-175140.6-179.100000112.8
271Y35.9Very low38.4Very low225 Ų225120.7 Ų120.788%0.88281%0.811SS**  trans-132162.3-161.241.3-100.3000112.8
272G39.5Very low38Very low81 Ų81122.8 Ų122.884%0.83580%0.804SS**  trans99.5144.3174.800000113.4
273G36Very low37.5Very low85 Ų85126.5 Ų126.588%0.87680%0.803SS**  cis135.893.11.800000110.7
274G38.8Very low37.1Very low73 Ų73126.7 Ų126.775%0.75381%0.806SS**  trans-163.6149.4-176.700000110.8
275Y38.1Very low36.9Very low205 Ų205122.2 Ų122.280%0.80481%0.807SS**  trans-125.9165.2-156.341.3-97.6000112.9
276D39.1Very low36.6Very low124 Ų124121.4 Ų121.466%0.66380%0.798SS**  trans52.8110.4159.2-52.7-39.9000120.5
277N37.1Very low36.3Very low156 Ų156121 Ų12183%0.83480%0.796SS**  -153.6163.7103-129.1-82.2000115
278Y35Very low36.4Very low218 Ų218123 Ų12386%0.85580%0.798SS**  trans-97.4151.1178.4-75.9-117.4000110.8
279G35.2Very low36.4Very low81 Ų81126 Ų12684%0.83580%0.796SS**  trans143.8145.5151.600000117
280G37Very low36.4Very low78 Ų78128 Ų12880%0.80479%0.785SS**  trans85.559151.100000117.7N282G280-N282 PolarHBondContact O-N 2.83Å
281G32.8Very low36.5Very low87 Ų87135.2 Ų135.290%0.89780%0.796SS**  trans-65.7119157.800000110.5
282N34.3Very low36.6Very low119 Ų119127.6 Ų127.664%0.63679%0.786SS**  trans-143149.7171.5-156.8-50.2000110.3G280 G284G280-N282 PolarHBondContact O-N 2.83Å; N282-G284 PolarHBondContact O-N 2.75Å
283Y34.8Very low36.3Very low208 Ų208130.6 Ų130.682%0.81678%0.783SS**  trans-83.995.3-161.126.4-90.4000112S285Y283-S285 PolarHBondContact O-N 3.47Å
284G33.7Very low36.3Very low76 Ų76136.7 Ų136.778%0.78478%0.781SS**  trans-67.6113.317500000112.9N282 G286N282-G284 PolarHBondContact O-N 2.75Å; G284-G286 PolarHBondContact O-N 3.42Å
285S35.3Very low36.3Very low127 Ų127139.6 Ų139.689%0.88878%0.779SS**  trans-68.797.7172.5-173.40000110.9Y283 N287Y283-S285 PolarHBondContact O-N 3.47Å; S285-N287 PolarHBondContact O-N 2.82Å
286G33.9Very low36.5Very low58 Ų58136.2 Ų136.260%0.59877%0.771SS**  trans-85.587.9-174.900000113.7G284 Y288G284-G286 PolarHBondContact O-N 3.42Å; G286-Y288 PolarHBondContact O-N 2.89Å
287N32.1Very low36.6Very low125 Ų125138.3 Ų138.367%0.66878%0.776SS**  trans-70.2118.6171.4-179.68000110.9S285 N289S285-N287 PolarHBondContact O-N 2.82Å; N287-N289 PolarHBondContact OD1-ND2 2.89Å
288Y43Very low36.7Very low219 Ų219137.1 Ų137.186%0.85978%0.777SS**  trans-124.175.2174.5-78.3-76.6000111.6G286G286-Y288 PolarHBondContact O-N 2.89Å
289N37.1Very low37Very low138 Ų138132.2 Ų132.274%0.73878%0.775SS**  trans-90.4167.1148.9-71.6-92.1000109.1N287N287-N289 PolarHBondContact OD1-ND2 2.89Å
290D36.9Very low37.1Very low131 Ų131135.5 Ų135.570%0.70177%0.773SS**  trans86.3111.4-179.7-159-4000116.8G292D290-G292 PolarHBondContact OD1-N 3.09Å
291F41.1Very low37.1Very low225 Ų225142.6 Ų142.699%0.98778%0.777SS**  trans-139.770.2157.5-107.1-70.6000110.1
292G37.5Very low37.4Very low65 Ų65141.1 Ų141.167%0.6776%0.762SS**  trans105.582.2149.100000116D290D290-G292 PolarHBondContact OD1-N 3.09Å
293N34.6Very low37.8Very low145 Ų145141.8 Ų141.878%0.77577%0.773SS**  trans-103.3131.3153-169.95.1000109.9
294Y35.7Very low38.1Very low213 Ų213141 Ų14184%0.83578%0.779SS**  trans-125.9138.8174.4-110.8-83.9000110.2
295N38.8Very low38.3Very low133 Ų133147.1 Ų147.171%0.71178%0.784SS**  trans89.4126.4158.6-121.90.3000119.6
296Q41.9Very low38.3Very low134 Ų134147.3 Ų147.363%0.62679%0.786SS**  trans90.1107149.9-55.8-71.5-11.600121.3
297Q40.9Very low38.5Very low168 Ų168147.6 Ų147.679%0.78579%0.788SS**  trans83.1123.9137.9-64.7173.533.700120.7
298P40.2Very low38.6Very low132 Ų132148.6 Ų148.686%0.85779%0.793SS**  trans-104.8130.3173.536.9-29.4000114
299S41.2Very low38.5Very low114 Ų114148.4 Ų148.480%0.79780%0.798SS**  trans-153.7101.7160.146.50000108.7
300N36.2Very low38.4Very low151 Ų151144.9 Ų144.981%0.80779%0.794SS**  7277.673.9-171.332.8000114.4
301Y37Very low38.4Very low226 Ų226142.3 Ų142.389%0.88680%0.798SS**  trans-149.6156.8134.3-139.7-101.9000112
302G38.6Very low38.1Very low56 Ų56136.2 Ų136.258%0.57778%0.783SS**  trans-91.1179.3-165.200000116.9
303P43.5Very low38.1Very low134 Ų134143.8 Ų143.887%0.8779%0.792SS**  trans-85.3153.1-170.934.6-36.3000113.9
304M42Very low38.3Very low190 Ų190142.9 Ų142.994%0.93679%0.787SS**  trans-126.8133165.2-73.5-166.7166.500112
305K36.4Very low38.5Very low206 Ų206140.8 Ų140.890%0.89679%0.787SS**  trans-89.1171.6170.2-82.3-179.7172.31780110.3
306S35.7Very low38.6Very low131 Ų131138.3 Ų138.392%0.91679%0.793SS**  trans85.2140.9171.1-148.90000114.4
307G37.9Very low38.6Very low63 Ų63135.5 Ų135.565%0.64980%0.8SS**  cis-1571626.300000114.9
308N34.8Very low38.8Very low146 Ų146133.4 Ų133.478%0.78180%0.8SS**  trans-77.2132.4177.7162.884.6000111.5
309F41.4Very low38.9Very low216 Ų216138.2 Ų138.295%0.94780%0.803SS**  trans-136.7109.4163.1-94.7-77.8000112.2
310G35Very low39Very low64 Ų64136.4 Ų136.466%0.6680%0.803SS**  trans-145.5141.1161.500000109.3
311G35.4Very low39.3Very low77 Ų77133 Ų13379%0.79480%0.804SS**  trans108.6127.5163.400000117.8
312S35.2Very low39.5Very low96 Ų96125.7 Ų125.767%0.67180%0.797SS**  trans74.8123.9148.4-92.10000122.1
313R38.9Very low39.7Very low225 Ų225129.5 Ų129.585%0.84980%0.804SS**  trans88.4102.4132.3-64.7163.9-157.4-154.2-0.9120.7
314N37.5Very low39.9Very low126 Ų126133.1 Ų133.167%0.67480%0.802SS**  81.4113.4109.2-168.240.8000120.3
315M39.7Very low39.9Very low168 Ų168127.4 Ų127.483%0.82879%0.792SS**  172.4139.5114.5-92.7-59-166.900113.5
316G40.8Very low40.7Very low82 Ų82124.3 Ų124.385%0.84579%0.793SS**  trans77.2133.3158.200000118.5
317G41.5Very low41Very low74 Ų74122.1 Ų122.176%0.76379%0.791SS**  cis-173.6163.4-8.500000112
318P46.3Very low41.1Very low124 Ų124122.7 Ų122.781%0.80580%0.796SS**  trans-128.8117-159.535.1-16.3000118.2
319Y42.7Very low41.6Very low233 Ų233122.3 Ų122.391%0.91481%0.806SS**  trans-170.4166.7154.246.4-100.2000109.1
320G41.7Very low41.8Very low77 Ų77115.9 Ų115.979%0.79480%0.8SS**  cis137139.71.500000110.1
321G43.6Very low42Very low80 Ų80116.5 Ų116.583%0.82581%0.807SS**  cis-175.7-169.43.900000111.5
322G42.1Very low42.7Very low72 Ų72118.9 Ų118.974%0.74281%0.811SS**  trans92.9135.7-174.300000112.9
323N41.8Very low43.2Very low136 Ų136118 Ų11873%0.72782%0.817SS**  cis67.1132.824.5-136.22.5000112
324Y47.9Very low43.5Very low209 Ų209110 Ų11082%0.8281%0.805SS**  cis-139.7-174.418.8-31-99.8000109.2
325G41.9Very low44.1Very low71 Ų71114.7 Ų114.773%0.73282%0.815SS**  cis-179172.41.100000110.2
326P52.3Low44.4Very low141 Ų141110.9 Ų110.992%0.91682%0.818SS**  trans-110.9157.2-161.639.8-34.2000118.4
327G42.1Very low44.8Very low85 Ų85110.3 Ų110.388%0.87681%0.813SS**  trans137.4147.9166.500000113.4
328G41.3Very low45.2Very low74 Ų74119 Ų11976%0.76382%0.822SS**  cis173.2167.2-7.400000112.4
329S45.1Very low45.5Very low139 Ų139117.1 Ų117.197%0.97281%0.812SS**  trans43.5129.3161.8-160.10000121.7
330G44.7Very low46Very low81 Ų81116.5 Ų116.584%0.83581%0.808SS**  trans17290.6162.800000114.3
331G40.5Very low46.8Very low77 Ų77127.3 Ų127.379%0.79483%0.827SS**  trans-142.5122.3-178.900000115.2
332S49.7Very low46.9Very low126 Ų126129.7 Ų129.788%0.88183%0.827SS**  trans-178.1135.3160.940.40000105.7
333G44.8Very low47.2Very low78 Ų78132.7 Ų132.780%0.80483%0.832SS**  86.1121.769.600000109.7
334G44.6Very low47.5Very low58 Ų58132.5 Ų132.560%0.59884%0.838SS**  cis174.8-155.51.200000110.3
335Y51Low47.5Very low223 Ų223128 Ų12888%0.87584%0.839SS**  trans53.3115.1163.361.3-93.5000121.4
336G46.3Very low47.8Very low88 Ų88131.6 Ų131.691%0.90785%0.845SS**  trans73.6147144.300000119.2
337G49Very low47.5Very low70 Ų70130.9 Ų130.972%0.72284%0.841SS**  cis135.3134.9-500000112.6
338R49.5Very low47.9Very low257 Ų257134.2 Ų134.297%0.9784%0.838SS**  trans70160.1-173.7-66.6-179.5171.4-173.8-2115.4
339S52.1Low48.4Very low85 Ų85138.8 Ų138.859%0.59484%0.844SS**  cis177.7126.6-30.3167.60000109
340R54Low48.7Very low219 Ų219138.8 Ų138.883%0.82683%0.833SS**  trans54.4123.6161.2-60.1174.3-161.6-169.62.8117.4
341Y58Low49Very low304 Ų304144.1 Ų144.1100%1.19283%0.833SS**  -133080.7-94.9-82.6000109.5

Retrieved 341 of 341 residues in 576.1 ms (Link to these results)

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