A0A077ZCK8_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCK8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M56.4Low79.5Confident166 Ų166109.2 Ų109.282%0.81855%0.554SS**  0121.30-155.7147.775.500108.7R9M1-R9 VanDerWaalsContact CE-NH2 3.27Å; M1-R9 VanDerWaalsContact CG-NH2 3.28Å; M1-R9 PolarHBondContact SD-NH1 3.32Å; M1-R9 PolarHBondContact SD-NH2 3.48Å
2D77.5Confident80Confident103 Ų103111.6 Ų111.655%0.55156%0.559SS**  trans-82.7166-167.165.9-46000113.6A4 G5 K6D2-A4 VanDerWaalsContact C-N 3.26Å; D2-A4 PolarHBondContact O-N 2.87Å; D2-A4 WeakPolarHBondContact OD2-CB 2.94Å; D2-G5 PolarHBondContact O-N 2.73Å; D2-G5 PolarHBondContact OD1-N 2.91Å; D2-K6 PolarHBondContact O-N 2.74Å; D2-K6 VanDerWaalsContact O-N 3.16Å
3K80.7Confident80.2Confident178 Ų178111 Ų11177%0.77455%0.553SS**Hα-helixtrans-61.2-32.2-176.2-167.6174.4-177.5177.20112.4R7K3-R7 WeakPolarHBondContact O-CG 3.49Å; K3-R7 PolarHBondContact O-N 2.86Å
4A78.3Confident80.3Confident54 Ų54105.4 Ų105.445%0.44654%0.537SS..Hα-helixtrans-70.7-44.7175.900000111.2D2 K6 R7 I8D2-A4 VanDerWaalsContact C-N 3.26Å; D2-A4 PolarHBondContact O-N 2.87Å; D2-A4 WeakPolarHBondContact OD2-CB 2.94Å; A4-K6 PolarHBondContact O-N 2.87Å; A4-R7 PolarHBondContact O-N 2.67Å; A4-I8 PolarHBondContact O-N 3.13Å; A4-I8 VanDerWaalsContact O-N 3.08Å
5G81.3Confident80.4Confident13 Ų13105.3 Ų105.313%0.13454%0.538CS..Hα-helixtrans-60.1-26.6174.800000114.7D2 R9D2-G5 PolarHBondContact O-N 2.73Å; D2-G5 PolarHBondContact OD1-N 2.91Å; G5-R9 PolarHBondContact O-NE 3Å; G5-R9 PolarHBondContact O-NH2 2.97Å
6K85.3Confident80.5Confident142 Ų142104.8 Ų104.862%0.61753%0.532SS*.Hα-helixtrans-71.9-40.2170.4-76.1-174177.6-176.60112.5D2 A4 A10D2-K6 PolarHBondContact O-N 2.74Å; D2-K6 VanDerWaalsContact O-N 3.16Å; A4-K6 PolarHBondContact O-N 2.87Å; K6-A10 PolarHBondContact O-N 2.8Å; K6-A10 VanDerWaalsContact O-N 3.09Å
7R83Confident80.4Confident196 Ų196104.5 Ų104.574%0.7453%0.532SS*.Hα-helixtrans-66.8-40.6179.6-6817772.7172.43.5112.4K3 A4 A10 A11K3-R7 WeakPolarHBondContact O-CG 3.49Å; K3-R7 PolarHBondContact O-N 2.86Å; A4-R7 PolarHBondContact O-N 2.67Å; R7-A10 PolarHBondContact O-N 2.74Å; R7-A11 PolarHBondContact O-N 2.92Å
8I84.4Confident80.1Confident123 Ų123106.1 Ų106.163%0.63154%0.542SS*.Hα-helixtrans-64.7-43179.2-65169.8000110.7A4 A11 F12A4-I8 PolarHBondContact O-N 3.13Å; A4-I8 VanDerWaalsContact O-N 3.08Å; I8-A11 PolarHBondContact O-N 3.34Å; I8-F12 PolarHBondContact O-N 2.85Å
9R81.8Confident79.9Confident107 Ų107107.3 Ų107.340%0.40455%0.549SS..Hα-helixtrans-63.1-45.7175.1-96.6-176.8-72.9-100.4-31112.8M1 G5 A11 F12 E13M1-R9 VanDerWaalsContact CE-NH2 3.27Å; M1-R9 VanDerWaalsContact CG-NH2 3.28Å; M1-R9 PolarHBondContact SD-NH1 3.32Å; M1-R9 PolarHBondContact SD-NH2 3.48Å; G5-R9 PolarHBondContact O-NE 3Å; G5-R9 PolarHBondContact O-NH2 2.97Å; R9-A11 PolarHBondContact O-N 2.91Å; R9-F12 PolarHBondContact O-N 3.36Å; R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.37Å; R9-E13 PolarHBondContact O-N 3.32Å
10A84Confident79.5Confident58 Ų58107.6 Ų107.648%0.47955%0.552SS.*Hα-helixtrans-59.2-37.6177.200000112.3K6 R7 G14K6-A10 PolarHBondContact O-N 2.8Å; K6-A10 VanDerWaalsContact O-N 3.09Å; R7-A10 PolarHBondContact O-N 2.74Å; A10-G14 PolarHBondContact O-N 3.2Å
11A82.2Confident78.9Confident61 Ų61108.1 Ų108.150%0.50456%0.556SS.*Hα-helixtrans-66.9-41.2174.300000112.3R7 I8 R9 G14 L15R7-A11 PolarHBondContact O-N 2.92Å; I8-A11 PolarHBondContact O-N 3.34Å; R9-A11 PolarHBondContact O-N 2.91Å; A11-G14 PolarHBondContact O-N 3.46Å; A11-L15 PolarHBondContact O-N 3.01Å
12F85.1Confident78.9Confident138 Ų138105.3 Ų105.361%0.60555%0.552SS**Hα-helixtrans-67-42177.9-162.3-92.8000112.2I8 R9 G14 L15 Q16I8-F12 PolarHBondContact O-N 2.85Å; R9-F12 PolarHBondContact O-N 3.36Å; F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 3.28Å; F12-L15 PolarHBondContact O-N 3.49Å; F12-Q16 WeakPolarHBondContact O-CB 3.41Å; F12-Q16 PolarHBondContact O-N 3.12Å
13E82.7Confident77.9Confident104 Ų104108.3 Ų108.349%0.48656%0.563SS.*Hα-helixtrans-62.5-39.4173.3-72.4167.3-168.800111.3R9 Q16 N17R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.37Å; R9-E13 PolarHBondContact O-N 3.32Å; E13-Q16 PolarHBondContact O-N 2.79Å; E13-N17 WeakPolarHBondContact O-CB 3.38Å; E13-N17 PolarHBondContact O-N 2.85Å; E13-N17 PolarHBondContact O-ND2 3.06Å
14G81.9Confident76.2Confident32 Ų32110.6 Ų110.633%0.3357%0.567SS.*Hα-helixtrans-59.2-47.5172.700000112.5A10 A11 F12 N17 L18A10-G14 PolarHBondContact O-N 3.2Å; A11-G14 PolarHBondContact O-N 3.46Å; F12-G14 VanDerWaalsContact C-N 3.32Å; F12-G14 PolarHBondContact O-N 3.28Å; G14-N17 PolarHBondContact O-N 2.99Å; G14-L18 WeakPolarHBondContact O-CG 3.35Å; G14-L18 PolarHBondContact O-N 3Å
15L82Confident75Confident105 Ų105113.9 Ų113.955%0.5558%0.581SS.*Hα-helixtrans-63-43.1175.3-82161.1000112.1A11 F12 N17 L18 L19A11-L15 PolarHBondContact O-N 3.01Å; F12-L15 PolarHBondContact O-N 3.49Å; L15-N17 VanDerWaalsContact C-N 3.32Å; L15-N17 PolarHBondContact O-N 3.39Å; L15-L18 WeakPolarHBondContact O-CB 3.32Å; L15-L18 PolarHBondContact O-N 3Å; L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.35Å
16Q81.6Confident73.2Confident96 Ų96118.9 Ų118.945%0.44960%0.604SS.*Hα-helixtrans-65.9-37.1179.1-166.8170.98.300111.7F12 E13 L19 N20F12-Q16 WeakPolarHBondContact O-CB 3.41Å; F12-Q16 PolarHBondContact O-N 3.12Å; E13-Q16 PolarHBondContact O-N 2.79Å; Q16-L19 PolarHBondContact O-N 2.72Å; Q16-N20 WeakPolarHBondContact O-CB 3.38Å; Q16-N20 VanDerWaalsContact O-CG 3.29Å; Q16-N20 PolarHBondContact O-N 2.82Å
17N79.4Confident71.7Confident100 Ų100119.6 Ų119.654%0.53561%0.614SS.*Hα-helixtrans-66.6-36.7173.1-73.7-20.4000112.1E13 G14 L15 N20 N21E13-N17 WeakPolarHBondContact O-CB 3.38Å; E13-N17 PolarHBondContact O-N 2.85Å; E13-N17 PolarHBondContact O-ND2 3.06Å; G14-N17 PolarHBondContact O-N 2.99Å; L15-N17 VanDerWaalsContact C-N 3.32Å; L15-N17 PolarHBondContact O-N 3.39Å; N17-N20 PolarHBondContact O-N 3.3Å; N17-N21 WeakPolarHBondContact O-CB 3.32Å; N17-N21 PolarHBondContact O-N 3.02Å
18L74Confident70Confident133 Ų133117.8 Ų117.870%0.69661%0.614SS**Hα-helixtrans-64.8-38.9172.9-69.7169.8000111.9G14 L15G14-L18 WeakPolarHBondContact O-CG 3.35Å; G14-L18 PolarHBondContact O-N 3Å; L15-L18 WeakPolarHBondContact O-CB 3.32Å; L15-L18 PolarHBondContact O-N 3Å
19L75.8Confident68.6Low130 Ų130116.9 Ų116.968%0.68161%0.614SS**Hα-helixtrans-69.2-40176.5-68.6169.7000112.3L15 Q16L15-L19 WeakPolarHBondContact O-CG 3.46Å; L15-L19 PolarHBondContact O-N 3.35Å; Q16-L19 PolarHBondContact O-N 2.72Å
20N73Confident67.3Low113 Ų113117.3 Ų117.360%0.60462%0.624SS**Hα-helixtrans-77.8-32.6-177.7-72.7-14000112.8Q16 N17 S22Q16-N20 WeakPolarHBondContact O-CB 3.38Å; Q16-N20 VanDerWaalsContact O-CG 3.29Å; Q16-N20 PolarHBondContact O-N 2.82Å; N17-N20 PolarHBondContact O-N 3.3Å; N20-S22 PolarHBondContact O-N 2.75Å
21N66.6Low66.3Low119 Ų119121 Ų12164%0.63664%0.636SS**  trans-77.971.4170-85.2-9.7000110.1N17 Q23N17-N21 WeakPolarHBondContact O-CB 3.32Å; N17-N21 PolarHBondContact O-N 3.02Å; N21-Q23 PolarHBondContact O-N 3.15Å
22S57.4Low65.7Low106 Ų106123.7 Ų123.774%0.74165%0.646SS**  trans-70.338.1163.6-72.50000112.2N20 R24N20-S22 PolarHBondContact O-N 2.75Å; S22-R24 PolarHBondContact O-N 3.39Å
23Q54.6Low65.2Low167 Ų167122 Ų12278%0.7864%0.643SS**  trans-70.486.3163.5-76.7-164.9-8.200107.2N21 V25N21-Q23 PolarHBondContact O-N 3.15Å; Q23-V25 PolarHBondContact O-N 3.38Å
24R46.1Very low64.9Low226 Ų226119.1 Ų119.185%0.85363%0.634SS**  trans13.367.1160.8-64.1-178.8-179.9144.9-1.9113.4S22 D26S22-R24 PolarHBondContact O-N 3.39Å; R24-D26 PolarHBondContact O-N 3.22Å; R24-D26 VanDerWaalsContact O-N 3.13Å
25V52.3Low64.6Low122 Ų122122.8 Ų122.874%0.73965%0.652SS**  trans-64.9108.4139.3-177.70000100.2Q23 L27Q23-V25 PolarHBondContact O-N 3.38Å; V25-L27 PolarHBondContact O-N 3.37Å
26D44.5Very low64.3Low118 Ų118124 Ų12463%0.63166%0.66SS**  trans-54.196.8163.9-76.5-36.6000104.5R24 Q28R24-D26 PolarHBondContact O-N 3.22Å; R24-D26 VanDerWaalsContact O-N 3.13Å; D26-Q28 HydrophobicContact CB-CG 3.99Å; D26-Q28 PolarHBondContact O-N 2.95Å
27L53Low64.1Low157 Ų157124 Ų12482%0.82266%0.662SS**  trans-62.567.2147.9-74.3156.6000103.7V25 T29V25-L27 PolarHBondContact O-N 3.37Å; L27-T29 PolarHBondContact O-N 2.92Å
28Q47.7Very low63.8Low159 Ų159125.5 Ų125.574%0.74366%0.664SS**  trans-48.7107.1148.6-71.9-178.64.900101.7D26 L30D26-Q28 HydrophobicContact CB-CG 3.99Å; D26-Q28 PolarHBondContact O-N 2.95Å; Q28-L30 PolarHBondContact O-N 3.16Å
29T56Low63.6Low103 Ų103121.9 Ų121.963%0.63265%0.654SS**  trans-45.5108.9-179.1-25.70000105.3L27 D31L27-T29 PolarHBondContact O-N 2.92Å; T29-D31 WeakPolarHBondContact CB-OD1 3.38Å; T29-D31 WeakPolarHBondContact CB-OD2 3.46Å; T29-D31 WeakPolarHBondContact CG2-OD1 3.39Å; T29-D31 PolarHBondContact O-N 3.49Å
30L54.5Low63Low117 Ų117121.2 Ų121.261%0.61366%0.655SS**  trans-74.770.8172-155.9129.7000103.7Q28 T32 L33Q28-L30 PolarHBondContact O-N 3.16Å; L30-T32 WeakPolarHBondContact CD2-O 3.39Å; L30-T32 PolarHBondContact O-N 3.09Å; L30-L33 HydrophobicContact CD2-CD2 4.07Å
31D61.1Low62.5Low135 Ų135122.3 Ų122.372%0.72267%0.666SS**  trans-65-7.2-171.1-86.4-33.3000111.3T29T29-D31 WeakPolarHBondContact CB-OD1 3.38Å; T29-D31 WeakPolarHBondContact CB-OD2 3.46Å; T29-D31 WeakPolarHBondContact CG2-OD1 3.39Å; T29-D31 PolarHBondContact O-N 3.49Å
32T71Confident62Low118 Ų118124.7 Ų124.772%0.72467%0.673SS**SBendtrans-134.895.1174.3-55.80000108L30 S34L30-T32 WeakPolarHBondContact CD2-O 3.39Å; L30-T32 PolarHBondContact O-N 3.09Å; T32-S34 PolarHBondContact O-N 3.33Å
33L75.1Confident62.2Low102 Ų102124.9 Ų124.953%0.53467%0.669SS.*  trans-59.3125.4163.5-68.1163.8000107.7L30 D37 F38L30-L33 HydrophobicContact CD2-CD2 4.07Å; L33-D37 HydrophobicContact CD2-CB 4.41Å; L33-F38 HydrophobicContact CB-CD2 4.43Å; L33-F38 HydrophobicContact CB-CE2 3.42Å; L33-F38 VanDerWaalsContact CB-CE2 3.42Å; L33-F38 HydrophobicContact CB-CZ 3.76Å; L33-F38 HydrophobicContact CD1-CE1 4.26Å; L33-F38 HydrophobicContact CD1-CE2 4.05Å; L33-F38 HydrophobicContact CD1-CZ 3.42Å; L33-F38 VanDerWaalsContact CD1-CZ 3.42Å; L33-F38 HydrophobicContact CG-CE2 4.28Å; L33-F38 HydrophobicContact CG-CZ 4.12Å
34S75Confident62.6Low43 Ų43121 Ų12130%0.30167%0.666SS.*  trans-76.5152.2174.970.40000109.3T32 D36 D37 F38T32-S34 PolarHBondContact O-N 3.33Å; S34-D36 PolarHBondContact O-N 3.42Å; S34-D36 VanDerWaalsContact O-N 3.12Å; S34-D37 WeakPolarHBondContact CB-OD2 3.44Å; S34-D37 PolarHBondContact N-OD2 3.04Å; S34-D37 WeakPolarHBondContact O-CB 3.17Å; S34-D37 PolarHBondContact O-N 2.79Å; S34-D37 PolarHBondContact OG-N 3.2Å; S34-D37 PolarHBondContact OG-OD2 3.45Å; S34-F38 WeakPolarHBondContact O-CD2 3.5Å
35P76.3Confident63.7Low109 Ų109112.7 Ų112.771%0.70864%0.642SS**G310 helixtrans-57.3-25.5173.822.9-32.8000112.5D37 F38 A39P35-D37 VanDerWaalsContact C-N 3.32Å; P35-F38 CarbonylContact O-C 3.52Å; P35-F38 PolarHBondContact O-N 3.19Å; P35-A39 PolarHBondContact O-N 3.21Å
36D75.4Confident64.8Low132 Ų132115.3 Ų115.371%0.70665%0.646SS**G310 helixtrans-71-25.4177-65.7-26.3000112.8S34 F38 A39S34-D36 PolarHBondContact O-N 3.42Å; S34-D36 VanDerWaalsContact O-N 3.12Å; D36-F38 PolarHBondContact O-N 3.08Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 3.3Å; D36-A39 VanDerWaalsContact O-N 3.15Å
37D76.4Confident66.7Low95 Ų95112.7 Ų112.751%0.50865%0.647SS.*G310 helixtrans-69-23.9173-61.5-49.7000112L33 S34 P35L33-D37 HydrophobicContact CD2-CB 4.41Å; S34-D37 WeakPolarHBondContact CB-OD2 3.44Å; S34-D37 PolarHBondContact N-OD2 3.04Å; S34-D37 WeakPolarHBondContact O-CB 3.17Å; S34-D37 PolarHBondContact O-N 2.79Å; S34-D37 PolarHBondContact OG-N 3.2Å; S34-D37 PolarHBondContact OG-OD2 3.45Å; P35-D37 VanDerWaalsContact C-N 3.32Å
38F74.3Confident68.4Low131 Ų131111.5 Ų111.558%0.57564%0.635SS**G310 helixtrans-98.411174.8-58.5-79.7000112.8L33 S34 P35 D36 V40L33-F38 HydrophobicContact CB-CD2 4.43Å; L33-F38 HydrophobicContact CB-CE2 3.42Å; L33-F38 VanDerWaalsContact CB-CE2 3.42Å; L33-F38 HydrophobicContact CB-CZ 3.76Å; L33-F38 HydrophobicContact CD1-CE1 4.26Å; L33-F38 HydrophobicContact CD1-CE2 4.05Å; L33-F38 HydrophobicContact CD1-CZ 3.42Å; L33-F38 VanDerWaalsContact CD1-CZ 3.42Å; L33-F38 HydrophobicContact CG-CE2 4.28Å; L33-F38 HydrophobicContact CG-CZ 4.12Å; S34-F38 WeakPolarHBondContact O-CD2 3.5Å; P35-F38 CarbonylContact O-C 3.52Å; P35-F38 PolarHBondContact O-N 3.19Å; D36-F38 PolarHBondContact O-N 3.08Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 PolarHBondContact O-N 3Å
39A68.9Low70.5Confident58 Ų58105.1 Ų105.148%0.47961%0.607SS.*  trans-61.197.1175.300000108.8P35 D36 T41P35-A39 PolarHBondContact O-N 3.21Å; D36-A39 WeakPolarHBondContact O-CB 3.49Å; D36-A39 PolarHBondContact O-N 3.3Å; D36-A39 VanDerWaalsContact O-N 3.15Å; A39-T41 VanDerWaalsContact C-N 3.34Å; A39-T41 PolarHBondContact O-N 3.4Å; A39-T41 PolarHBondContact O-OG1 3.16Å
40V63.5Low72.2Confident115 Ų115109 Ų10970%0.69761%0.612SS**  trans-58.499.4177.2177.20000107.2F38 V43F38-V40 VanDerWaalsContact C-N 3.31Å; F38-V40 PolarHBondContact O-N 3Å; V40-V43 HydrophobicContact CG1-CG2 3.61Å
41T62.3Low74.1Confident136 Ų136107.6 Ų107.683%0.83460%0.602SS**  trans-69.1-47.6-170.1-44.10000109.6A39A39-T41 VanDerWaalsContact C-N 3.34Å; A39-T41 PolarHBondContact O-N 3.4Å; A39-T41 PolarHBondContact O-OG1 3.16Å
42E57.6Low75.7Confident170 Ų170104.5 Ų104.579%0.79459%0.589SS**  trans-155.9131.8175.6-62.3-173.516700109.8
43V60.7Low77Confident109 Ų109101.6 Ų101.666%0.66157%0.572SS**  trans-86113.2169.7-175.10000107.7V40 C45V40-V43 HydrophobicContact CG1-CG2 3.61Å; V43-C45 PolarHBondContact O-N 3.36Å
44A62.8Low78Confident87 Ų8797.7 Ų97.772%0.71955%0.553SS**  trans-63100.5168.500000108.5H46A44-H46 PolarHBondContact O-N 2.89Å
45C68.5Low79Confident51 Ų51100.3 Ų100.335%0.34556%0.563SS.*  trans-75.4124.7172.7-0.50000108.3V43 R74 N84V43-C45 PolarHBondContact O-N 3.36Å; C45-R74 PolarHBondContact O-NH2 3.3Å; C45-R74 PolarHBondContact SG-NH1 2.83Å; C45-N84 PolarHBondContact SG-ND2 2.78Å
46H76.1Confident79.8Confident176 Ų17695.7 Ų95.782%0.81553%0.533SS*.  trans-106.6164.7179.660.3-82.3000109.6A44A44-H46 PolarHBondContact O-N 2.89Å
47G85.1Confident80.6Confident63 Ų6395.2 Ų95.265%0.64952%0.523SS*.SBendtrans76.1-167.617800000114.2
48F88.5Confident81.2Confident133 Ų13390.9 Ų90.958%0.58350%0.499SS*.SBendtrans-92.1143-179-169-93.3000110.3Y50 P52 I66F48-Y50 PolarHBondContact O-N 3.46Å; F48-P52 HydrophobicContact CE1-CB 3.8Å; F48-P52 HydrophobicContact CE1-CG 3.69Å; F48-P52 HydrophobicContact CZ-CB 4.24Å; F48-P52 HydrophobicContact CZ-CG 4.42Å; F48-I66 HydrophobicContact CD2-CD1 4.29Å; F48-I66 HydrophobicContact CE2-CD1 3.58Å; F48-I66 HydrophobicContact CZ-CD1 3.95Å; F48-I66 HydrophobicContact CZ-CG2 4.27Å
49P90.6Very high81.8Confident24 Ų2488.8 Ų88.816%0.15650%0.499CS..PPolyproline II helixtrans-54.9137.8179.9-26.435.8000112.8I66 T68 R74P49-I66 HydrophobicContact CB-CG2 4.23Å; P49-I66 HydrophobicContact CG-CB 4.19Å; P49-I66 HydrophobicContact CG-CD1 4.09Å; P49-I66 HydrophobicContact CG-CG2 3.96Å; P49-T68 HydrophobicContact CB-CG2 3.61Å; P49-R74 HydrophobicContact CG-CB 3.55Å; P49-R74 HydrophobicContact CG-CG 3.87Å
50Y91.6Very high82.5Confident185 Ų18591.8 Ų91.873%0.72551%0.511SS*.SBendtrans-70.5132.9176.4-176.9-110.4000110.5F48F48-Y50 PolarHBondContact O-N 3.46Å
51Q95.2Very high83.5Confident88 Ų8890 Ų9041%0.41150%0.495SS..SBendtrans51.165.5-179.5-66.9177.5-4000113.6T68 Q69Q51-T68 WeakPolarHBondContact O-CA 3.33Å; Q51-Q69 HydrophobicContact CB-CB 4.12Å; Q51-Q69 PolarHBondContact O-N 3.43Å
52P95.8Very high84.6Confident69 Ų6989.1 Ų89.145%0.44848%0.48SS..EExtended strand (participates in β ladder)trans-62.1140.7172.334.2-41.7000110.4F48 I66 G67F48-P52 HydrophobicContact CE1-CB 3.8Å; F48-P52 HydrophobicContact CE1-CG 3.69Å; F48-P52 HydrophobicContact CZ-CB 4.24Å; F48-P52 HydrophobicContact CZ-CG 4.42Å; P52-I66 HydrophobicContact CB-CG2 3.95Å; P52-G67 CarbonylContact C-O 3.56Å; P52-G67 WeakPolarHBondContact CA-O 2.93Å
53T96.9Very high86.1Confident58 Ų5881.7 Ų81.736%0.35645%0.446SS..EExtended strand (participates in β ladder)trans-117.4-34.1179.245.80000112.1G67 T68 Q69 V93T53-G67 PolarHBondContact N-O 3.42Å; T53-G67 VanDerWaalsContact OG1-C 3.28Å; T53-G67 PolarHBondContact OG1-O 2.96Å; T53-T68 PolarHBondContact OG1-N 2.86Å; T53-Q69 HydrophobicContact CG2-CB 3.82Å; T53-V93 WeakPolarHBondContact CB-O 3.41Å; T53-V93 PolarHBondContact OG1-O 2.74Å
54C96.3Very high87.6Confident20 Ų2079.6 Ų79.614%0.13543%0.429CS..EExtended strand (participates in β ladder)trans-149.6159.5177.161.80000111.2G67 L94C54-G67 PolarHBondContact O-N 2.78Å; C54-L94 WeakPolarHBondContact CB-O 3.34Å
55L95.7Very high89.1Confident98 Ų9875.5 Ų75.551%0.51340%0.395SS..EExtended strand (participates in β ladder)trans-134.8142.2175.1179.1147.8000109.3M64 A65 I66L55-M64 HydrophobicContact CD1-CE 4.17Å; L55-M64 HydrophobicContact CD1-CG 3.93Å; L55-M64 HydrophobicContact CD1-SD 3.72Å; L55-M64 HydrophobicContact CG-CG 4.13Å; L55-A65 CarbonylContact C-O 3.48Å; L55-A65 VanDerWaalsContact CA-O 3.31Å; L55-A65 WeakPolarHBondContact CA-O 3.39Å; L55-I66 HydrophobicContact CD1-CG1 4.14Å
56A94.1Very high90.5Very high11 Ų1173.1 Ų73.19%0.09138%0.379CS..EExtended strand (participates in β ladder)trans-127146168.700000109.1M64 A65 L96 F98A56-M64 CarbonylContact O-C 3.57Å; A56-M64 WeakPolarHBondContact O-CA 3.37Å; A56-A65 PolarHBondContact N-O 2.83Å; A56-A65 PolarHBondContact O-N 2.75Å; A56-L96 HydrophobicContact CB-CB 3.68Å; A56-L96 WeakPolarHBondContact CB-O 3.43Å; A56-F98 HydrophobicContact CB-CD2 3.81Å; A56-F98 HydrophobicContact CB-CE2 3.91Å
57Y92.2Very high91.4Very high122 Ų12264.7 Ų64.748%0.47834%0.34SS..EExtended strand (participates in β ladder)trans-132130.3176.1179.9-109.7000109.9P59 L63 M64Y57-P59 HydrophobicContact CD1-CB 4.37Å; Y57-P59 VanDerWaalsContact CE1-CA 3.49Å; Y57-P59 HydrophobicContact CE1-CB 3.82Å; Y57-L63 CarbonylContact C-O 3.54Å; Y57-L63 WeakPolarHBondContact CA-O 3.22Å; Y57-L63 WeakPolarHBondContact CD2-O 3.48Å; Y57-M64 HydrophobicContact CD2-CB 4.17Å; Y57-M64 HydrophobicContact CD2-CE 4.39Å
58D89.4Confident92Very high4 Ų461.9 Ų61.92%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-101.4108.7168.9179.53.3000109.3V60 Q61 K62 L63 F98D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3Å; D58-V60 WeakPolarHBondContact OD1-CB 3.33Å; D58-V60 PolarHBondContact OD1-N 3.18Å; D58-Q61 VanDerWaalsContact OD2-CB 3.31Å; D58-Q61 WeakPolarHBondContact OD2-CB 3.27Å; D58-Q61 WeakPolarHBondContact OD2-CG 3.33Å; D58-K62 WeakPolarHBondContact O-CA 2.91Å; D58-K62 PolarHBondContact O-N 2.7Å; D58-L63 HydrophobicContact CB-CB 4.49Å; D58-L63 PolarHBondContact N-O 3.04Å; D58-L63 PolarHBondContact O-N 3.23Å; D58-L63 VanDerWaalsContact O-N 3.15Å; D58-F98 HydrophobicContact CB-CB 4.02Å; D58-F98 HydrophobicContact CB-CD1 4.08Å; D58-F98 HydrophobicContact CB-CD2 3.83Å; D58-F98 HydrophobicContact CB-CE2 4.28Å; D58-F98 HydrophobicContact CB-CG 3.72Å
59P85.3Confident92.3Very high87 Ų8760.5 Ų60.557%0.56531%0.306SS*.THydrogen-bonded Turntrans-68.6-24.1179.528.2-34.5000113.6Y57Y57-P59 HydrophobicContact CD1-CB 4.37Å; Y57-P59 VanDerWaalsContact CE1-CA 3.49Å; Y57-P59 HydrophobicContact CE1-CB 3.82Å
60V85.2Confident92.5Very high122 Ų12262.5 Ų62.574%0.73932%0.32SS*.THydrogen-bonded Turntrans-75.2-50.8-177.7-179.30000109.7D58 K62D58-V60 VanDerWaalsContact C-N 3.28Å; D58-V60 PolarHBondContact O-N 3Å; D58-V60 WeakPolarHBondContact OD1-CB 3.33Å; D58-V60 PolarHBondContact OD1-N 3.18Å; V60-K62 VanDerWaalsContact C-N 3.33Å
61Q82.6Confident92.7Very high77 Ų7753.7 Ų53.736%0.3629%0.286SS..THydrogen-bonded Turntrans-86-8.3179.2-59.7-179.53.800112.9D58 L63D58-Q61 VanDerWaalsContact OD2-CB 3.31Å; D58-Q61 WeakPolarHBondContact OD2-CB 3.27Å; D58-Q61 WeakPolarHBondContact OD2-CG 3.33Å; Q61-L63 VanDerWaalsContact C-N 3.25Å; Q61-L63 HydrophobicContact CB-CB 4.47Å; Q61-L63 HydrophobicContact CB-CD1 3.89Å; Q61-L63 HydrophobicContact CB-CG 3.71Å; Q61-L63 PolarHBondContact O-N 3.14Å; Q61-L63 VanDerWaalsContact OE1-CD1 3.27Å
62K86.2Confident92.6Very high117 Ų11750.8 Ų50.851%0.50928%0.276SS..THydrogen-bonded Turntrans54.344.9-174.1-57.7174.1-179.3175.80111.1D58 V60 G77 Q78D58-K62 WeakPolarHBondContact O-CA 2.91Å; D58-K62 PolarHBondContact O-N 2.7Å; V60-K62 VanDerWaalsContact C-N 3.33Å; K62-G77 WeakPolarHBondContact O-CA 3.22Å; K62-Q78 VanDerWaalsContact CD-NE2 3.25Å
63L89.6Confident92.6Very high15 Ų1547.5 Ų47.58%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-108.1140.4178.9-62.6-176.5000110Y57 D58 Q61 L76 V81 F98 I136Y57-L63 CarbonylContact C-O 3.54Å; Y57-L63 WeakPolarHBondContact CA-O 3.22Å; Y57-L63 WeakPolarHBondContact CD2-O 3.48Å; D58-L63 HydrophobicContact CB-CB 4.49Å; D58-L63 PolarHBondContact N-O 3.04Å; D58-L63 PolarHBondContact O-N 3.23Å; D58-L63 VanDerWaalsContact O-N 3.15Å; Q61-L63 VanDerWaalsContact C-N 3.25Å; Q61-L63 HydrophobicContact CB-CB 4.47Å; Q61-L63 HydrophobicContact CB-CD1 3.89Å; Q61-L63 HydrophobicContact CB-CG 3.71Å; Q61-L63 PolarHBondContact O-N 3.14Å; Q61-L63 VanDerWaalsContact OE1-CD1 3.27Å; L63-L76 CarbonylContact C-O 3.48Å; L63-L76 WeakPolarHBondContact CA-O 3.49Å; L63-V81 HydrophobicContact CD2-CB 4.38Å; L63-V81 HydrophobicContact CD2-CG1 3.71Å; L63-V81 HydrophobicContact CD2-CG2 4.43Å; L63-F98 HydrophobicContact CB-CE1 3.97Å; L63-F98 HydrophobicContact CB-CZ 3.79Å; L63-F98 HydrophobicContact CD1-CE1 4.3Å; L63-I136 HydrophobicContact CD1-CD1 3.78Å
64M92.6Very high92.4Very high65 Ų6545.7 Ų45.732%0.3224%0.242SC..EExtended strand (participates in β ladder)trans-122126.7175.6-179.6178.5-75.200108.2L55 A56 Y57 I66 I75 L76L55-M64 HydrophobicContact CD1-CE 4.17Å; L55-M64 HydrophobicContact CD1-CG 3.93Å; L55-M64 HydrophobicContact CD1-SD 3.72Å; L55-M64 HydrophobicContact CG-CG 4.13Å; A56-M64 CarbonylContact O-C 3.57Å; A56-M64 WeakPolarHBondContact O-CA 3.37Å; Y57-M64 HydrophobicContact CD2-CB 4.17Å; Y57-M64 HydrophobicContact CD2-CE 4.39Å; M64-I66 HydrophobicContact CG-CG1 4.27Å; M64-I66 HydrophobicContact SD-CD1 4.39Å; M64-I75 CarbonylContact O-C 3.58Å; M64-I75 WeakPolarHBondContact O-CA 3.48Å; M64-L76 PolarHBondContact N-O 2.55Å; M64-L76 PolarHBondContact O-N 3.47Å
65A94.3Very high92.2Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-113131.5173.400000109.5L55 A56 I73 R74 I75 L96 F98 I122L55-A65 CarbonylContact C-O 3.48Å; L55-A65 VanDerWaalsContact CA-O 3.31Å; L55-A65 WeakPolarHBondContact CA-O 3.39Å; A56-A65 PolarHBondContact N-O 2.83Å; A56-A65 PolarHBondContact O-N 2.75Å; A65-I73 HydrophobicContact CB-CG2 4.23Å; A65-R74 CarbonylContact C-O 3.51Å; A65-R74 VanDerWaalsContact CA-O 3.3Å; A65-R74 WeakPolarHBondContact CA-O 3.32Å; A65-I75 HydrophobicContact CB-CG1 4.3Å; A65-L96 HydrophobicContact CB-CD1 3.94Å; A65-F98 HydrophobicContact CB-CE2 3.8Å; A65-F98 HydrophobicContact CB-CZ 3.64Å; A65-I122 HydrophobicContact CB-CD1 4.07Å
66I96.2Very high91.9Very high1 Ų142.9 Ų42.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-119.4118.1-179.2-57.6163.9000107.7F48 P49 P52 L55 M64 I73 R74 L76F48-I66 HydrophobicContact CD2-CD1 4.29Å; F48-I66 HydrophobicContact CE2-CD1 3.58Å; F48-I66 HydrophobicContact CZ-CD1 3.95Å; F48-I66 HydrophobicContact CZ-CG2 4.27Å; P49-I66 HydrophobicContact CB-CG2 4.23Å; P49-I66 HydrophobicContact CG-CB 4.19Å; P49-I66 HydrophobicContact CG-CD1 4.09Å; P49-I66 HydrophobicContact CG-CG2 3.96Å; P52-I66 HydrophobicContact CB-CG2 3.95Å; L55-I66 HydrophobicContact CD1-CG1 4.14Å; M64-I66 HydrophobicContact CG-CG1 4.27Å; M64-I66 HydrophobicContact SD-CD1 4.39Å; I66-I73 CarbonylContact O-C 3.42Å; I66-I73 VanDerWaalsContact O-CA 3.25Å; I66-I73 WeakPolarHBondContact O-CA 3.38Å; I66-R74 HydrophobicContact CB-CB 4.31Å; I66-R74 PolarHBondContact N-O 3.04Å; I66-R74 PolarHBondContact O-N 3.15Å; I66-L76 HydrophobicContact CD1-CD1 3.93Å
67G96.5Very high91.6Very high0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-88.2149.9173.400000110.2P52 T53 C54P52-G67 CarbonylContact C-O 3.56Å; P52-G67 WeakPolarHBondContact CA-O 2.93Å; T53-G67 PolarHBondContact N-O 3.42Å; T53-G67 VanDerWaalsContact OG1-C 3.28Å; T53-G67 PolarHBondContact OG1-O 2.96Å; C54-G67 PolarHBondContact O-N 2.78Å
68T96.3Very high91.1Very high4 Ų443.1 Ų43.13%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-124.8162.1-179.761.20000111.5P49 Q51 T53 S70 G71 A72 V93P49-T68 HydrophobicContact CB-CG2 3.61Å; Q51-T68 WeakPolarHBondContact O-CA 3.33Å; T53-T68 PolarHBondContact OG1-N 2.86Å; T68-S70 PolarHBondContact O-N 3.18Å; T68-S70 PolarHBondContact OG1-OG 3.37Å; T68-G71 PolarHBondContact O-N 3.29Å; T68-A72 PolarHBondContact N-O 3.19Å; T68-A72 WeakPolarHBondContact OG1-CA 3.32Å; T68-A72 WeakPolarHBondContact OG1-CB 3.17Å; T68-A72 PolarHBondContact OG1-N 2.81Å; T68-A72 PolarHBondContact OG1-O 3.35Å; T68-V93 PolarHBondContact O-N 3.43Å; T68-V93 VanDerWaalsContact O-N 3.1Å
69Q96.6Very high90.4Very high104 Ų10449 Ų4949%0.48628%0.278SS..THydrogen-bonded Turntrans-63.5-27.3176.3-168.2175.412.900113.1Q51 T53 G71 S92Q51-Q69 HydrophobicContact CB-CB 4.12Å; Q51-Q69 PolarHBondContact O-N 3.43Å; T53-Q69 HydrophobicContact CG2-CB 3.82Å; Q69-G71 PolarHBondContact O-N 2.94Å; Q69-S92 VanDerWaalsContact O-CA 3.22Å; Q69-S92 WeakPolarHBondContact O-CA 3.25Å; Q69-S92 WeakPolarHBondContact O-CB 3.33Å
70S94.3Very high90.1Very high66 Ų6649 Ų4946%0.46229%0.294SS..THydrogen-bonded Turntrans-837.9178.2620000114.2T68 A72 G90T68-S70 PolarHBondContact O-N 3.18Å; T68-S70 PolarHBondContact OG1-OG 3.37Å; S70-A72 VanDerWaalsContact C-N 3.3Å; S70-A72 PolarHBondContact O-N 2.78Å; S70-G90 CarbonylContact C-O 3.53Å
71G94.8Very high90Very high0 Ų045.6 Ų45.60%027%0.273CS..SBendtrans7417.8-17700000114.7T68 Q69 K86 H87 A91T68-G71 PolarHBondContact O-N 3.29Å; Q69-G71 PolarHBondContact O-N 2.94Å; G71-K86 WeakPolarHBondContact O-CA 3.16Å; G71-H87 PolarHBondContact O-CD2 2.76Å; G71-H87 VanDerWaalsContact O-CD2 3.28Å; G71-H87 PolarHBondContact O-N 3.1Å; G71-A91 WeakPolarHBondContact CA-O 3.3Å; G71-A91 PolarHBondContact N-O 3.3Å
72A94Very high90.2Very high26 Ų2645.9 Ų45.922%0.21528%0.277CS..EExtended strand (participates in β ladder)trans-89.9146.1169.500000110.5T68 S70 L85T68-A72 PolarHBondContact N-O 3.19Å; T68-A72 WeakPolarHBondContact OG1-CA 3.32Å; T68-A72 WeakPolarHBondContact OG1-CB 3.17Å; T68-A72 PolarHBondContact OG1-N 2.81Å; T68-A72 PolarHBondContact OG1-O 3.35Å; S70-A72 VanDerWaalsContact C-N 3.3Å; S70-A72 PolarHBondContact O-N 2.78Å; A72-L85 CarbonylContact C-O 3.58Å; A72-L85 VanDerWaalsContact CA-O 3.27Å; A72-L85 WeakPolarHBondContact CA-O 3.38Å
73I94.7Very high90.3Very high1 Ų142.3 Ų42.31%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-122.1124.1172.2-55.7161.9000108.1A65 I66 I75 L85 H87 V93 L96 W134A65-I73 HydrophobicContact CB-CG2 4.23Å; I66-I73 CarbonylContact O-C 3.42Å; I66-I73 VanDerWaalsContact O-CA 3.25Å; I66-I73 WeakPolarHBondContact O-CA 3.38Å; I73-I75 HydrophobicContact CG2-CG1 4.45Å; I73-L85 HydrophobicContact CB-CB 3.97Å; I73-L85 HydrophobicContact CB-CD1 4.03Å; I73-L85 HydrophobicContact CB-CG 4.12Å; I73-L85 HydrophobicContact CD1-CD1 4.16Å; I73-L85 HydrophobicContact CG2-CD1 4.11Å; I73-L85 HydrophobicContact CG2-CG 4.5Å; I73-L85 PolarHBondContact N-O 3.17Å; I73-L85 PolarHBondContact O-N 2.76Å; I73-H87 WeakPolarHBondContact CD1-NE2 3.48Å; I73-V93 HydrophobicContact CD1-CG2 4.5Å; I73-V93 HydrophobicContact CG1-CG1 4.38Å; I73-V93 HydrophobicContact CG1-CG2 3.88Å; I73-L96 HydrophobicContact CD1-CD2 3.71Å; I73-L96 HydrophobicContact CG1-CD1 4.48Å; I73-L96 HydrophobicContact CG1-CD2 4.06Å; I73-L96 HydrophobicContact CG2-CD1 3.79Å; I73-L96 HydrophobicContact CG2-CD2 4.15Å; I73-W134 HydrophobicContact CD1-CZ2 4.16Å
74R93.2Very high90.3Very high19 Ų1945.6 Ų45.67%0.07228%0.283CS..EExtended strand (participates in β ladder)trans-101.4120.6175.5-173.569.1173.1-133.9-11.4110.1C45 P49 A65 I66 L76 N82 N84C45-R74 PolarHBondContact O-NH2 3.3Å; C45-R74 PolarHBondContact SG-NH1 2.83Å; P49-R74 HydrophobicContact CG-CB 3.55Å; P49-R74 HydrophobicContact CG-CG 3.87Å; A65-R74 CarbonylContact C-O 3.51Å; A65-R74 VanDerWaalsContact CA-O 3.3Å; A65-R74 WeakPolarHBondContact CA-O 3.32Å; I66-R74 HydrophobicContact CB-CB 4.31Å; I66-R74 PolarHBondContact N-O 3.04Å; I66-R74 PolarHBondContact O-N 3.15Å; R74-L76 HydrophobicContact CG-CD1 4.46Å; R74-L76 HydrophobicContact CG-CD2 3.87Å; R74-L76 HydrophobicContact CG-CG 3.98Å; R74-N82 PolarHBondContact NE-OD1 3.37Å; R74-N82 VanDerWaalsContact NH2-CG 3.32Å; R74-N82 PolarHBondContact NH2-ND2 3.43Å; R74-N82 PolarHBondContact NH2-OD1 2.9Å; R74-N84 WeakPolarHBondContact CD-OD1 3.41Å; R74-N84 PolarHBondContact NE-OD1 3.26Å; R74-N84 VanDerWaalsContact NH1-CG 3.33Å; R74-N84 PolarHBondContact NH1-ND2 3.28Å; R74-N84 VanDerWaalsContact NH1-ND2 3.18Å; R74-N84 PolarHBondContact NH1-OD1 3.14Å
75I91.7Very high90.2Very high5 Ų542.8 Ų42.83%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-102.1123.3172.9-56.8171.4000108.8M64 A65 I73 V81 N82 V83 L85 I122 I136M64-I75 CarbonylContact O-C 3.58Å; M64-I75 WeakPolarHBondContact O-CA 3.48Å; A65-I75 HydrophobicContact CB-CG1 4.3Å; I73-I75 HydrophobicContact CG2-CG1 4.45Å; I75-V81 HydrophobicContact CG2-CG1 4.2Å; I75-N82 WeakPolarHBondContact O-CA 3.31Å; I75-V83 HydrophobicContact CB-CB 4.4Å; I75-V83 PolarHBondContact N-O 3.18Å; I75-V83 PolarHBondContact O-N 2.86Å; I75-L85 HydrophobicContact CD1-CD1 3.88Å; I75-L85 HydrophobicContact CD1-CD2 4.39Å; I75-L85 HydrophobicContact CD1-CG 4.25Å; I75-L85 HydrophobicContact CG1-CD1 4.48Å; I75-I122 HydrophobicContact CD1-CD1 3.59Å; I75-I122 HydrophobicContact CG1-CD1 4.05Å; I75-I136 HydrophobicContact CD1-CB 4.36Å; I75-I136 HydrophobicContact CD1-CG2 3.58Å
76L90.5Very high90Very high55 Ų5549.5 Ų49.529%0.28830%0.298SS..EExtended strand (participates in β ladder)trans-121.9152.4177.4-56.2175.4000108.7L63 M64 I66 R74L63-L76 CarbonylContact C-O 3.48Å; L63-L76 WeakPolarHBondContact CA-O 3.49Å; M64-L76 PolarHBondContact N-O 2.55Å; M64-L76 PolarHBondContact O-N 3.47Å; I66-L76 HydrophobicContact CD1-CD1 3.93Å; R74-L76 HydrophobicContact CG-CD1 4.46Å; R74-L76 HydrophobicContact CG-CD2 3.87Å; R74-L76 HydrophobicContact CG-CG 3.98Å
77G87.5Confident89.9Confident38 Ų3849.5 Ų49.539%0.39230%0.298SS..  trans-173.1-137177.600000112.9K62 V81K62-G77 WeakPolarHBondContact O-CA 3.22Å; G77-V81 PolarHBondContact N-O 2.83Å
78Q82.3Confident89.5Confident99 Ų9956.7 Ų56.746%0.46334%0.337SS..SBendtrans-56.1159.3172.8-68.7-58.3-42.300112.1K62 G80 V81K62-Q78 VanDerWaalsContact CD-NE2 3.25Å; Q78-G80 PolarHBondContact O-N 2.83Å; Q78-V81 HydrophobicContact CB-CG2 4.47Å; Q78-V81 WeakPolarHBondContact O-CB 3.4Å; Q78-V81 PolarHBondContact O-N 2.78Å
79P74.7Confident89.1Confident127 Ų12761.6 Ų61.683%0.82536%0.363SS*.THydrogen-bonded Turntrans-49.3125.7175-27.334.9000112
80G79Confident88.7Confident87 Ų8758.2 Ų58.290%0.89736%0.355SS*.THydrogen-bonded Turntrans94.6-10.9-175.500000114.8Q78 N82Q78-G80 PolarHBondContact O-N 2.83Å; G80-N82 PolarHBondContact O-N 2.83Å
81V83.4Confident88.7Confident51 Ų5155.7 Ų55.731%0.30934%0.339SS..  trans-93.795.1173.2-175.60000109.5L63 I75 G77 Q78L63-V81 HydrophobicContact CD2-CB 4.38Å; L63-V81 HydrophobicContact CD2-CG1 3.71Å; L63-V81 HydrophobicContact CD2-CG2 4.43Å; I75-V81 HydrophobicContact CG2-CG1 4.2Å; G77-V81 PolarHBondContact N-O 2.83Å; Q78-V81 HydrophobicContact CB-CG2 4.47Å; Q78-V81 WeakPolarHBondContact O-CB 3.4Å; Q78-V81 PolarHBondContact O-N 2.78Å
82N86.5Confident88.8Confident83 Ų8356.6 Ų56.644%0.44435%0.345SS..EExtended strand (participates in β ladder)trans-144.4103.6173.2-177.311.5000109R74 I75 G80R74-N82 PolarHBondContact NE-OD1 3.37Å; R74-N82 VanDerWaalsContact NH2-CG 3.32Å; R74-N82 PolarHBondContact NH2-ND2 3.43Å; R74-N82 PolarHBondContact NH2-OD1 2.9Å; I75-N82 WeakPolarHBondContact O-CA 3.31Å; G80-N82 PolarHBondContact O-N 2.83Å
83V87Confident89Confident43 Ų4355.3 Ų55.326%0.26134%0.335SS..EExtended strand (participates in β ladder)trans-131.4139.8-175-162.90000111.2I75 L85 P141I75-V83 HydrophobicContact CB-CB 4.4Å; I75-V83 PolarHBondContact N-O 3.18Å; I75-V83 PolarHBondContact O-N 2.86Å; V83-L85 HydrophobicContact CG1-CD2 4.19Å; V83-P141 HydrophobicContact CG1-CG 3.4Å
84N89.5Confident89Confident83 Ų8359.7 Ų59.744%0.44436%0.357SS..EExtended strand (participates in β ladder)trans-109.6123.6174.9-63.8-70.4000109.4C45 R74C45-N84 PolarHBondContact SG-ND2 2.78Å; R74-N84 WeakPolarHBondContact CD-OD1 3.41Å; R74-N84 PolarHBondContact NE-OD1 3.26Å; R74-N84 VanDerWaalsContact NH1-CG 3.33Å; R74-N84 PolarHBondContact NH1-ND2 3.28Å; R74-N84 VanDerWaalsContact NH1-ND2 3.18Å; R74-N84 PolarHBondContact NH1-OD1 3.14Å
85L90.4Very high89.2Confident6 Ų663.8 Ų63.83%0.03138%0.377CS..EExtended strand (participates in β ladder)trans-106.4152.7168.5-35.2179.6000108.3A72 I73 I75 V83 W134 P141A72-L85 CarbonylContact C-O 3.58Å; A72-L85 VanDerWaalsContact CA-O 3.27Å; A72-L85 WeakPolarHBondContact CA-O 3.38Å; I73-L85 HydrophobicContact CB-CB 3.97Å; I73-L85 HydrophobicContact CB-CD1 4.03Å; I73-L85 HydrophobicContact CB-CG 4.12Å; I73-L85 HydrophobicContact CD1-CD1 4.16Å; I73-L85 HydrophobicContact CG2-CD1 4.11Å; I73-L85 HydrophobicContact CG2-CG 4.5Å; I73-L85 PolarHBondContact N-O 3.17Å; I73-L85 PolarHBondContact O-N 2.76Å; I75-L85 HydrophobicContact CD1-CD1 3.88Å; I75-L85 HydrophobicContact CD1-CD2 4.39Å; I75-L85 HydrophobicContact CD1-CG 4.25Å; I75-L85 HydrophobicContact CG1-CD1 4.48Å; V83-L85 HydrophobicContact CG1-CD2 4.19Å; L85-W134 HydrophobicContact CB-CE3 4.24Å; L85-W134 HydrophobicContact CB-CH2 3.77Å; L85-W134 HydrophobicContact CB-CZ2 4.16Å; L85-W134 HydrophobicContact CB-CZ3 3.81Å; L85-W134 HydrophobicContact CD1-CB 4.45Å; L85-W134 HydrophobicContact CD1-CD2 3.71Å; L85-W134 HydrophobicContact CD1-CE3 3.77Å; L85-W134 HydrophobicContact CD1-CG 4.04Å; L85-W134 HydrophobicContact CD1-CZ3 4.22Å; L85-W134 HydrophobicContact CD2-CE3 4.29Å; L85-W134 HydrophobicContact CD2-CZ3 4.31Å; L85-W134 HydrophobicContact CG-CE3 4.35Å; L85-W134 HydrophobicContact CG-CZ3 4.36Å; L85-P141 HydrophobicContact CD2-CB 3.41Å; L85-P141 VanDerWaalsContact CD2-CB 3.41Å; L85-P141 HydrophobicContact CD2-CG 2.99Å; L85-P141 HydrophobicContact CG-CG 4.47Å
86K91.9Very high89.3Confident141 Ų14164 Ų6461%0.61338%0.379SS*.EExtended strand (participates in β ladder)trans-142130.4171.8-169177.5178.1-177.70109.7G71G71-K86 WeakPolarHBondContact O-CA 3.16Å
87H92.3Very high89.4Confident1 Ų164.1 Ų64.11%0.00538%0.378CS..  trans-68.3134.4168.3-72-77.9000109.9G71 I73 N89 G90 S124 C126 H132 W134G71-H87 PolarHBondContact O-CD2 2.76Å; G71-H87 VanDerWaalsContact O-CD2 3.28Å; G71-H87 PolarHBondContact O-N 3.1Å; I73-H87 WeakPolarHBondContact CD1-NE2 3.48Å; H87-N89 PolarHBondContact O-N 3.35Å; H87-G90 PolarHBondContact O-N 3.35Å; H87-S124 PolarHBondContact CE1-OG 3.27Å; H87-S124 PolarHBondContact NE2-OG 3.06Å; H87-C126 VanDerWaalsContact CE1-SG 3.58Å; H87-H132 AromaticContact CE1-CD2 3.17Å; H87-H132 PolarHBondContact CE1-CD2 3.17Å; H87-H132 AromaticContact CE1-CG 3.59Å; H87-H132 AromaticContact CE1-NE2 3.93Å; H87-H132 AromaticContact ND1-CD2 3.16Å; H87-H132 PolarHBondContact ND1-CD2 3.28Å; H87-H132 AromaticContact ND1-CG 3.67Å; H87-H132 AromaticContact ND1-NE2 3.44Å; H87-H132 PolarHBondContact ND1-NE2 2.88Å; H87-W134 AromaticContact CE1-CE2 3.78Å; H87-W134 AromaticContact CE1-CZ2 3.48Å; H87-W134 VanDerWaalsContact CE1-CZ2 3.48Å; H87-W134 WeakPolarHBondContact CE1-CZ2 3.46Å; H87-W134 AromaticContact CE1-NE1 3.51Å; H87-W134 AromaticContact ND1-CZ2 3.78Å; H87-W134 AromaticContact NE2-CZ2 3.74Å; H87-W134 AromaticContact NE2-NE1 3.76Å
88N88.1Confident89.6Confident152 Ų15263 Ų6381%0.81336%0.362SS*.THydrogen-bonded Turntrans-58.3-36.4177.9-64.5-15000112.1G90N88-G90 VanDerWaalsContact C-N 3.25Å; N88-G90 PolarHBondContact O-N 2.87Å
89N87.8Confident89.7Confident107 Ų10759.6 Ų59.657%0.57235%0.347SS*.THydrogen-bonded Turntrans-75.2-13.4-179.2-62.15.2000113H87 A91 D128H87-N89 PolarHBondContact O-N 3.35Å; N89-A91 HydrophobicContact CB-CB 4.39Å; N89-A91 PolarHBondContact O-N 3.16Å; N89-A91 VanDerWaalsContact O-N 3.15Å; N89-D128 PolarHBondContact ND2-OD2 3.44Å
90G90.1Very high89.6Confident32 Ų3256.8 Ų56.833%0.3333%0.327SS..  trans61.717.1-173.600000114.4S70 H87 N88S70-G90 CarbonylContact C-O 3.53Å; H87-G90 PolarHBondContact O-N 3.35Å; N88-G90 VanDerWaalsContact C-N 3.25Å; N88-G90 PolarHBondContact O-N 2.87Å
91A94.2Very high88.8Confident13 Ų1357 Ų5711%0.10731%0.308CS..  trans-70144-179.800000111.3G71 N89 V93 C126 D128G71-A91 WeakPolarHBondContact CA-O 3.3Å; G71-A91 PolarHBondContact N-O 3.3Å; N89-A91 HydrophobicContact CB-CB 4.39Å; N89-A91 PolarHBondContact O-N 3.16Å; N89-A91 VanDerWaalsContact O-N 3.15Å; A91-V93 PolarHBondContact O-N 3.39Å; A91-C126 HydrophobicContact CB-CB 3.98Å; A91-D128 HydrophobicContact CB-CB 4.09Å
92S96.6Very high87.4Confident19 Ų1957.5 Ų57.513%0.13332%0.323CS..  trans-60.3129.5-179.3177.60000111Q69 L94 C126 S127Q69-S92 VanDerWaalsContact O-CA 3.22Å; Q69-S92 WeakPolarHBondContact O-CA 3.25Å; Q69-S92 WeakPolarHBondContact O-CB 3.33Å; S92-L94 PolarHBondContact O-N 2.8Å; S92-C126 CarbonylContact O-C 3.49Å; S92-C126 VanDerWaalsContact O-CA 3.32Å; S92-C126 WeakPolarHBondContact O-CA 3.19Å; S92-S127 PolarHBondContact N-OG 3.32Å; S92-S127 VanDerWaalsContact N-OG 3.17Å; S92-S127 PolarHBondContact O-N 3.15Å
93V97Very high85.6Confident0 Ų058.9 Ų58.90%033%0.334CS..EExtended strand (participates in β ladder)trans-76.3113.1175.9-169.50000108.2T53 T68 I73 A91 L96 L125T53-V93 WeakPolarHBondContact CB-O 3.41Å; T53-V93 PolarHBondContact OG1-O 2.74Å; T68-V93 PolarHBondContact O-N 3.43Å; T68-V93 VanDerWaalsContact O-N 3.1Å; I73-V93 HydrophobicContact CD1-CG2 4.5Å; I73-V93 HydrophobicContact CG1-CG1 4.38Å; I73-V93 HydrophobicContact CG1-CG2 3.88Å; A91-V93 PolarHBondContact O-N 3.39Å; V93-L96 HydrophobicContact CG1-CD1 4.36Å; V93-L96 HydrophobicContact CG1-CD2 3.81Å; V93-L96 HydrophobicContact CG1-CG 3.79Å; V93-L125 CarbonylContact C-O 3.56Å
94L96.2Very high83.7Confident92 Ų9264 Ų6448%0.48235%0.353SS..EExtended strand (participates in β ladder)trans-85.6-38.8-178.1-62.3-177.5000112.2C54 S92 L125C54-L94 WeakPolarHBondContact CB-O 3.34Å; S92-L94 PolarHBondContact O-N 2.8Å; L94-L125 HydrophobicContact CB-CD2 4.42Å; L94-L125 HydrophobicContact CB-CG 4.33Å; L94-L125 PolarHBondContact N-O 2.98Å
95Q95.7Very high81.5Confident105 Ų10564.5 Ų64.549%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-148.7141.1-177.9-172.8172.3-23.800110.4S124 L125Q95-S124 WeakPolarHBondContact O-CA 2.93Å; Q95-L125 HydrophobicContact CB-CB 4.17Å; Q95-L125 HydrophobicContact CB-CD2 4.46Å; Q95-L125 PolarHBondContact N-O 3.22Å; Q95-L125 PolarHBondContact O-N 2.93Å
96L95.4Very high79.3Confident11 Ų1173.4 Ų73.46%0.05840%0.401CS..EExtended strand (participates in β ladder)trans-119.2143.9171.7-72.1170.1000109.4A56 A65 I73 V93 I122 I123A56-L96 HydrophobicContact CB-CB 3.68Å; A56-L96 WeakPolarHBondContact CB-O 3.43Å; A65-L96 HydrophobicContact CB-CD1 3.94Å; I73-L96 HydrophobicContact CD1-CD2 3.71Å; I73-L96 HydrophobicContact CG1-CD1 4.48Å; I73-L96 HydrophobicContact CG1-CD2 4.06Å; I73-L96 HydrophobicContact CG2-CD1 3.79Å; I73-L96 HydrophobicContact CG2-CD2 4.15Å; V93-L96 HydrophobicContact CG1-CD1 4.36Å; V93-L96 HydrophobicContact CG1-CD2 3.81Å; V93-L96 HydrophobicContact CG1-CG 3.79Å; L96-I122 HydrophobicContact CD2-CG2 3.92Å; L96-I123 CarbonylContact C-O 3.59Å; L96-I123 WeakPolarHBondContact CA-O 3.42Å
97Q92.7Very high77.2Confident56 Ų5675.8 Ų75.826%0.26241%0.412SS..EExtended strand (participates in β ladder)trans-146.3125.5175.2-165.4177.9-5800110.8I122 I123Q97-I122 WeakPolarHBondContact O-CA 3.45Å; Q97-I123 PolarHBondContact N-O 3.08Å; Q97-I123 PolarHBondContact O-N 2.77Å
98F90.4Very high75.2Confident16 Ų1683.5 Ų83.57%0.0745%0.448CS..EExtended strand (participates in β ladder)trans-74.3133.2168.8-73.6-83.1000109.7A56 D58 L63 A65 V100 I122 I136A56-F98 HydrophobicContact CB-CD2 3.81Å; A56-F98 HydrophobicContact CB-CE2 3.91Å; D58-F98 HydrophobicContact CB-CB 4.02Å; D58-F98 HydrophobicContact CB-CD1 4.08Å; D58-F98 HydrophobicContact CB-CD2 3.83Å; D58-F98 HydrophobicContact CB-CE2 4.28Å; D58-F98 HydrophobicContact CB-CG 3.72Å; L63-F98 HydrophobicContact CB-CE1 3.97Å; L63-F98 HydrophobicContact CB-CZ 3.79Å; L63-F98 HydrophobicContact CD1-CE1 4.3Å; A65-F98 HydrophobicContact CB-CE2 3.8Å; A65-F98 HydrophobicContact CB-CZ 3.64Å; F98-V100 PolarHBondContact O-N 2.86Å; F98-I122 HydrophobicContact CD1-CD1 3.99Å; F98-I122 HydrophobicContact CD1-CG1 3.6Å; F98-I122 HydrophobicContact CE1-CD1 3.39Å; F98-I122 HydrophobicContact CE1-CG1 3.56Å; F98-I122 HydrophobicContact CG-CG1 4.43Å; F98-I122 HydrophobicContact CZ-CD1 3.85Å; F98-I122 HydrophobicContact CZ-CG1 4.37Å; F98-I136 HydrophobicContact CD1-CD1 4.45Å; F98-I136 HydrophobicContact CE1-CD1 3.98Å
99L84.9Confident73.5Confident26 Ų2682.2 Ų82.214%0.13645%0.445CS..EExtended strand (participates in β ladder)trans-82.496.5170.7-65.6175.7000109I118 A121 I123 L133L99-I118 HydrophobicContact CB-CG2 3.46Å; L99-I118 VanDerWaalsContact CB-CG2 3.46Å; L99-I118 HydrophobicContact CD1-CG2 3.25Å; L99-I118 HydrophobicContact CD2-CG2 4.49Å; L99-I118 HydrophobicContact CG-CG2 3.88Å; L99-A121 HydrophobicContact CB-CB 4.46Å; L99-A121 HydrophobicContact CD1-CB 3.94Å; L99-A121 PolarHBondContact N-O 2.91Å; L99-I123 HydrophobicContact CD1-CD1 3.9Å; L99-I123 HydrophobicContact CD1-CG1 3.83Å; L99-I123 HydrophobicContact CD2-CD1 3.65Å; L99-I123 HydrophobicContact CD2-CG1 4.15Å; L99-I123 HydrophobicContact CG-CD1 4.06Å; L99-I123 HydrophobicContact CG-CG1 4.02Å; L99-L133 HydrophobicContact CD1-CD1 3.54Å
100V73.1Confident72Confident69 Ų6981.3 Ų81.342%0.41845%0.453SS..  trans-94.4137167.7-64.70000108.5F98 G102F98-V100 PolarHBondContact O-N 2.86Å; V100-G102 PolarHBondContact O-N 2.82Å
101N61.3Low70.3Confident92 Ų9285.5 Ų85.549%0.49247%0.467SS..THydrogen-bonded Turntrans-65.419.2-176.2-78.47.6000115Q119N101-Q119 WeakPolarHBondContact ND2-CG 3.39Å; N101-Q119 PolarHBondContact ND2-NE2 3.4Å; N101-Q119 VanDerWaalsContact ND2-NE2 3.11Å
102G53.5Low68.1Low60 Ų6089.3 Ų89.362%0.61949%0.489SS*.THydrogen-bonded Turntrans-93.3-41.7-166.800000116.8V100V100-G102 PolarHBondContact O-N 2.82Å
103V49.6Very low66.1Low112 Ų11299.3 Ų99.368%0.67953%0.525SS*.SBendtrans-148.35.4-159.4-161.50000115.2
104F47.5Very low64Low150 Ų150104.9 Ų104.966%0.65855%0.553SS**  trans-88.3-0179.8-101.4-92.8000115.4F106F104-F106 VanDerWaalsContact C-N 3.3Å; F104-F106 PolarHBondContact O-N 2.74Å
105C42.6Very low61.8Low94 Ų94102.4 Ų102.464%0.63555%0.546SS*.THydrogen-bonded Turntrans-89.625.3-177.9-144.10000114.3
106F44.6Very low59.8Low193 Ų193102.3 Ų102.385%0.84656%0.556SS**THydrogen-bonded Turntrans-86.3-3.5170.8-92.4-76.6000114F104F104-F106 VanDerWaalsContact C-N 3.3Å; F104-F106 PolarHBondContact O-N 2.74Å
107F47.4Very low57.7Low192 Ų192108.1 Ų108.184%0.84259%0.587SS**SBendtrans-96.795.8168.3-98.1-97000111.3
108Q50.4Low55.9Low162 Ų162108.3 Ų108.376%0.75759%0.589SS**  trans35.791.7151.7-155.690.9-2400118A110Q108-A110 VanDerWaalsContact C-N 3.29Å; Q108-A110 PolarHBondContact O-N 2.89Å
109V52.5Low54.7Low126 Ų126112.6 Ų112.676%0.76461%0.609SS**SBendtrans54.6-24.6137-173.20000121.2
110A56.2Low54.3Low88 Ų88111.6 Ų111.673%0.72761%0.605SS**SBendtrans-89.9-12.8-172.600000115.3Q108Q108-A110 VanDerWaalsContact C-N 3.29Å; Q108-A110 PolarHBondContact O-N 2.89Å
111L54Low55Low120 Ų120108.8 Ų108.863%0.62859%0.589SS**  trans-108.15.1-170.4-67.4173.1000115.3Y113 M114 A115L111-Y113 VanDerWaalsContact C-N 3.27Å; L111-Y113 PolarHBondContact O-N 2.94Å; L111-M114 PolarHBondContact O-N 3.16Å; L111-A115 PolarHBondContact O-N 3.18Å
112T48.6Very low56.5Low92 Ų92104.4 Ų104.456%0.56457%0.566SS**G310 helixtrans-56.8-36-179-49.70000113.2M114 A115T112-M114 VanDerWaalsContact C-N 3.3Å; T112-M114 PolarHBondContact O-N 3.32Å; T112-A115 WeakPolarHBondContact O-CB 3.31Å; T112-A115 PolarHBondContact O-N 3.19Å
113Y55.1Low58.4Low229 Ų229104.1 Ų104.190%0.89855%0.55SS*.G310 helixtrans-73.2-19.7179.4-72.3-80.3000113.9L111L111-Y113 VanDerWaalsContact C-N 3.27Å; L111-Y113 PolarHBondContact O-N 2.94Å
114M52.2Low60.5Low118 Ų11898.8 Ų98.858%0.58152%0.517SS*.G310 helixtrans-94.3-10.3178.2-69.3-68.8-80.100112.9L111 T112 S116 L117 I118L111-M114 PolarHBondContact O-N 3.16Å; T112-M114 VanDerWaalsContact C-N 3.3Å; T112-M114 PolarHBondContact O-N 3.32Å; M114-S116 VanDerWaalsContact C-N 3.26Å; M114-S116 PolarHBondContact O-N 2.83Å; M114-L117 PolarHBondContact O-N 3.49Å; M114-I118 WeakPolarHBondContact O-CG1 3.39Å
115A51Low62.8Low40 Ų4094.5 Ų94.533%0.33150%0.501SS..G310 helixtrans-63.1-24.2-172.200000114.8L111 T112L111-A115 PolarHBondContact O-N 3.18Å; T112-A115 WeakPolarHBondContact O-CB 3.31Å; T112-A115 PolarHBondContact O-N 3.19Å
116S52.6Low65.3Low102 Ų10290.1 Ų90.171%0.71347%0.471SS*.G310 helixtrans-75-25.3-176.9-167.70000113.6M114 I118M114-S116 VanDerWaalsContact C-N 3.26Å; M114-S116 PolarHBondContact O-N 2.83Å; S116-I118 VanDerWaalsContact C-N 3.3Å; S116-I118 PolarHBondContact O-N 2.93Å
117L50.4Low67.7Low133 Ų13383.6 Ų83.670%0.69645%0.45SS*.G310 helixtrans-80.5-8.6-176.8-70.8172.8000113.9M114M114-L117 PolarHBondContact O-N 3.49Å
118I56.7Low69.8Low61 Ų6176.5 Ų76.531%0.31342%0.421SS..G310 helixtrans-88.1-11.2-160-45.6-175.2000113.5L99 M114 S116 G120 A121L99-I118 HydrophobicContact CB-CG2 3.46Å; L99-I118 VanDerWaalsContact CB-CG2 3.46Å; L99-I118 HydrophobicContact CD1-CG2 3.25Å; L99-I118 HydrophobicContact CD2-CG2 4.49Å; L99-I118 HydrophobicContact CG-CG2 3.88Å; M114-I118 WeakPolarHBondContact O-CG1 3.39Å; S116-I118 VanDerWaalsContact C-N 3.3Å; S116-I118 PolarHBondContact O-N 2.93Å; I118-G120 PolarHBondContact O-N 2.86Å; I118-G120 VanDerWaalsContact O-N 3.12Å; I118-A121 PolarHBondContact O-N 3.39Å
119Q65.2Low71.8Confident105 Ų10570.6 Ų70.649%0.49140%0.397SS..THydrogen-bonded Turntrans-61120.5179.2-65.3-176.7-20.400111.3N101 R137N101-Q119 WeakPolarHBondContact ND2-CG 3.39Å; N101-Q119 PolarHBondContact ND2-NE2 3.4Å; N101-Q119 VanDerWaalsContact ND2-NE2 3.11Å; Q119-R137 WeakPolarHBondContact O-CD 3.41Å; Q119-R137 PolarHBondContact O-NH1 3.18Å
120G76.6Confident73.7Confident6 Ų665 Ų656%0.06236%0.363CS..THydrogen-bonded Turntrans81.739.5-179.600000113.4I118 I136I118-G120 PolarHBondContact O-N 2.86Å; I118-G120 VanDerWaalsContact O-N 3.12Å; G120-I136 WeakPolarHBondContact O-CG1 3.26Å; G120-I136 PolarHBondContact O-N 3.39Å; G120-I136 VanDerWaalsContact O-N 3.08Å
121A87.6Confident75.5Confident10 Ų1062.4 Ų62.48%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-116.3150.9167.500000111.3L99 I118 L133 W134L99-A121 HydrophobicContact CB-CB 4.46Å; L99-A121 HydrophobicContact CD1-CB 3.94Å; L99-A121 PolarHBondContact N-O 2.91Å; I118-A121 PolarHBondContact O-N 3.39Å; A121-L133 HydrophobicContact CB-CD1 3.87Å; A121-W134 CarbonylContact C-O 3.52Å; A121-W134 WeakPolarHBondContact CA-O 3.37Å; A121-W134 WeakPolarHBondContact CB-O 3.3Å
122I91.5Very high77.4Confident0 Ų057.4 Ų57.40%031%0.311CS..EExtended strand (participates in β ladder)trans-119.4134176.5-58.4-179.4000108.6A65 I75 L96 Q97 F98 W134 I136A65-I122 HydrophobicContact CB-CD1 4.07Å; I75-I122 HydrophobicContact CD1-CD1 3.59Å; I75-I122 HydrophobicContact CG1-CD1 4.05Å; L96-I122 HydrophobicContact CD2-CG2 3.92Å; Q97-I122 WeakPolarHBondContact O-CA 3.45Å; F98-I122 HydrophobicContact CD1-CD1 3.99Å; F98-I122 HydrophobicContact CD1-CG1 3.6Å; F98-I122 HydrophobicContact CE1-CD1 3.39Å; F98-I122 HydrophobicContact CE1-CG1 3.56Å; F98-I122 HydrophobicContact CG-CG1 4.43Å; F98-I122 HydrophobicContact CZ-CD1 3.85Å; F98-I122 HydrophobicContact CZ-CG1 4.37Å; I122-W134 HydrophobicContact CB-CB 4.23Å; I122-W134 PolarHBondContact N-O 2.88Å; I122-W134 PolarHBondContact O-N 2.9Å; I122-I136 HydrophobicContact CD1-CD1 4.11Å; I122-I136 HydrophobicContact CD1-CG2 3.8Å; I122-I136 HydrophobicContact CG1-CD1 4.11Å; I122-I136 HydrophobicContact CG1-CG1 4.4Å; I122-I136 HydrophobicContact CG1-CG2 3.98Å
123I93.4Very high79.5Confident54 Ų5455.6 Ų55.628%0.27730%0.298SS..EExtended strand (participates in β ladder)trans-96.9134.2167-62.2-179.4000108.8L96 Q97 L99 V131 H132 L133L96-I123 CarbonylContact C-O 3.59Å; L96-I123 WeakPolarHBondContact CA-O 3.42Å; Q97-I123 PolarHBondContact N-O 3.08Å; Q97-I123 PolarHBondContact O-N 2.77Å; L99-I123 HydrophobicContact CD1-CD1 3.9Å; L99-I123 HydrophobicContact CD1-CG1 3.83Å; L99-I123 HydrophobicContact CD2-CD1 3.65Å; L99-I123 HydrophobicContact CD2-CG1 4.15Å; L99-I123 HydrophobicContact CG-CD1 4.06Å; L99-I123 HydrophobicContact CG-CG1 4.02Å; I123-V131 HydrophobicContact CG2-CG1 3.53Å; I123-H132 WeakPolarHBondContact CA-O 3.34Å; I123-L133 HydrophobicContact CG1-CD1 3.89Å
124S94.8Very high81.2Confident0 Ų045.1 Ų45.10%026%0.257CS..EExtended strand (participates in β ladder)trans-122.8124.8172.857.40000110.6H87 Q95 V131 H132 W134H87-S124 PolarHBondContact CE1-OG 3.27Å; H87-S124 PolarHBondContact NE2-OG 3.06Å; Q95-S124 WeakPolarHBondContact O-CA 2.93Å; S124-V131 CarbonylContact O-C 3.58Å; S124-V131 WeakPolarHBondContact O-CA 3.26Å; S124-H132 PolarHBondContact N-O 3.12Å; S124-H132 PolarHBondContact O-N 2.9Å; S124-H132 WeakPolarHBondContact OG-CB 3.38Å; S124-H132 PolarHBondContact OG-O 2.76Å; S124-W134 PolarHBondContact OG-NE1 2.82Å
125L95.4Very high82.9Confident60 Ų6041.5 Ų41.531%0.31424%0.24SC..EExtended strand (participates in β ladder)trans-94.3131.1169.617665.4000109.1V93 L94 Q95 V131V93-L125 CarbonylContact C-O 3.56Å; L94-L125 HydrophobicContact CB-CD2 4.42Å; L94-L125 HydrophobicContact CB-CG 4.33Å; L94-L125 PolarHBondContact N-O 2.98Å; Q95-L125 HydrophobicContact CB-CB 4.17Å; Q95-L125 HydrophobicContact CB-CD2 4.46Å; Q95-L125 PolarHBondContact N-O 3.22Å; Q95-L125 PolarHBondContact O-N 2.93Å; L125-V131 HydrophobicContact CD1-CG2 3.64Å
126C95.1Very high84.5Confident1 Ų141 Ų411%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-112.3158.4-178.1-64.90000112.1H87 A91 S92 D128 C129 C130H87-C126 VanDerWaalsContact CE1-SG 3.58Å; A91-C126 HydrophobicContact CB-CB 3.98Å; S92-C126 CarbonylContact O-C 3.49Å; S92-C126 VanDerWaalsContact O-CA 3.32Å; S92-C126 WeakPolarHBondContact O-CA 3.19Å; C126-D128 WeakPolarHBondContact CB-OD1 3.04Å; C126-D128 PolarHBondContact O-N 3.43Å; C126-C129 PolarHBondContact O-N 3.46Å; C126-C130 HydrophobicContact CB-CB 4.49Å; C126-C130 PolarHBondContact N-O 2.84Å
127S94.4Very high85.8Confident57 Ų5743.3 Ų43.340%0.39923%0.225SC..THydrogen-bonded Turntrans-66.7-13.5-17961.90000115S92 C129S92-S127 PolarHBondContact N-OG 3.32Å; S92-S127 VanDerWaalsContact N-OG 3.17Å; S92-S127 PolarHBondContact O-N 3.15Å; S127-C129 PolarHBondContact O-N 2.78Å
128D93.2Very high86.9Confident43 Ų4341.5 Ų41.523%0.2322%0.215CC..THydrogen-bonded Turntrans-88.114.717566.6-18.6000113.2N89 A91 C126 C130N89-D128 PolarHBondContact ND2-OD2 3.44Å; A91-D128 HydrophobicContact CB-CB 4.09Å; C126-D128 WeakPolarHBondContact CB-OD1 3.04Å; C126-D128 PolarHBondContact O-N 3.43Å; D128-C130 VanDerWaalsContact CG-SG 3.5Å; D128-C130 PolarHBondContact O-N 2.9Å; D128-C130 VanDerWaalsContact OD1-CB 3.26Å; D128-C130 WeakPolarHBondContact OD1-CB 3.36Å; D128-C130 PolarHBondContact OD1-N 2.92Å; D128-C130 VanDerWaalsContact OD1-N 3.16Å; D128-C130 PolarHBondContact OD2-SG 2.79Å
129C91.2Very high87.5Confident37 Ų3748.9 Ų48.925%0.2525%0.245CC..SBendtrans63.120.7-174.8-54.70000113.4C126 S127 F149C126-C129 PolarHBondContact O-N 3.46Å; S127-C129 PolarHBondContact O-N 2.78Å; C129-F149 WeakPolarHBondContact CB-O 3.46Å; C129-F149 PolarHBondContact O-N 3.21Å
130C92.6Very high88.1Confident8 Ų853.8 Ų53.85%0.05426%0.259CS..EExtended strand (participates in β ladder)trans-91.1140.7171.4-63.70000111.7C126 D128 H132 L147C126-C130 HydrophobicContact CB-CB 4.49Å; C126-C130 PolarHBondContact N-O 2.84Å; D128-C130 VanDerWaalsContact CG-SG 3.5Å; D128-C130 PolarHBondContact O-N 2.9Å; D128-C130 VanDerWaalsContact OD1-CB 3.26Å; D128-C130 WeakPolarHBondContact OD1-CB 3.36Å; D128-C130 PolarHBondContact OD1-N 2.92Å; D128-C130 VanDerWaalsContact OD1-N 3.16Å; D128-C130 PolarHBondContact OD2-SG 2.79Å; C130-H132 WeakPolarHBondContact CB-NE2 3.13Å; C130-L147 CarbonylContact C-O 3.57Å; C130-L147 VanDerWaalsContact CA-O 3.26Å; C130-L147 WeakPolarHBondContact CA-O 3.3Å
131V94.3Very high88.4Confident35 Ų3554.9 Ų54.921%0.21227%0.265CS..EExtended strand (participates in β ladder)trans-115.5124.9169.8179.50000107.8I123 S124 L125 S146 L147 F149I123-V131 HydrophobicContact CG2-CG1 3.53Å; S124-V131 CarbonylContact O-C 3.58Å; S124-V131 WeakPolarHBondContact O-CA 3.26Å; L125-V131 HydrophobicContact CD1-CG2 3.64Å; V131-S146 CarbonylContact O-C 3.58Å; V131-S146 WeakPolarHBondContact O-CA 3.16Å; V131-L147 PolarHBondContact N-O 3.18Å; V131-L147 PolarHBondContact O-N 3.41Å; V131-F149 HydrophobicContact CB-CE2 3.93Å; V131-F149 HydrophobicContact CG2-CD2 3.89Å; V131-F149 HydrophobicContact CG2-CE2 3.56Å
132H93.8Very high88.5Confident14 Ų1460.4 Ų60.47%0.06529%0.289CS..EExtended strand (participates in β ladder)trans-115.7140.9178-52.9-91.2000111.1H87 I123 S124 C130 I143 H145 S146H87-H132 AromaticContact CE1-CD2 3.17Å; H87-H132 PolarHBondContact CE1-CD2 3.17Å; H87-H132 AromaticContact CE1-CG 3.59Å; H87-H132 AromaticContact CE1-NE2 3.93Å; H87-H132 AromaticContact ND1-CD2 3.16Å; H87-H132 PolarHBondContact ND1-CD2 3.28Å; H87-H132 AromaticContact ND1-CG 3.67Å; H87-H132 AromaticContact ND1-NE2 3.44Å; H87-H132 PolarHBondContact ND1-NE2 2.88Å; I123-H132 WeakPolarHBondContact CA-O 3.34Å; S124-H132 PolarHBondContact N-O 3.12Å; S124-H132 PolarHBondContact O-N 2.9Å; S124-H132 WeakPolarHBondContact OG-CB 3.38Å; S124-H132 PolarHBondContact OG-O 2.76Å; C130-H132 WeakPolarHBondContact CB-NE2 3.13Å; H132-I143 HydrophobicContact CB-CG2 4.13Å; H132-H145 CarbonylContact C-O 3.6Å; H132-H145 VanDerWaalsContact CA-O 3.3Å; H132-H145 WeakPolarHBondContact CA-O 3.37Å; H132-S146 PolarHBondContact CE1-OG 3.27Å; H132-S146 WeakPolarHBondContact ND1-CB 3.18Å; H132-S146 PolarHBondContact ND1-OG 3.03Å
133L92.4Very high88.4Confident54 Ų5462.2 Ų62.228%0.28330%0.298SS..EExtended strand (participates in β ladder)trans-103.4118.6171.8-179.566.1000109L99 A121 I123 I143 V144 H145L99-L133 HydrophobicContact CD1-CD1 3.54Å; A121-L133 HydrophobicContact CB-CD1 3.87Å; I123-L133 HydrophobicContact CG1-CD1 3.89Å; L133-I143 CarbonylContact O-C 3.56Å; L133-V144 HydrophobicContact CD2-CB 4.41Å; L133-V144 HydrophobicContact CG-CB 4.48Å; L133-V144 PolarHBondContact O-N 3.34Å; L133-H145 HydrophobicContact CB-CB 4.23Å; L133-H145 PolarHBondContact N-O 3.32Å; L133-H145 PolarHBondContact O-N 3.43Å
134W91.7Very high88.3Confident9 Ų964 Ų643%0.03431%0.311CS..EExtended strand (participates in β ladder)trans-101.3131.6178.2-62.889.2000110.6I73 L85 H87 A121 I122 S124 I136 E142 I143I73-W134 HydrophobicContact CD1-CZ2 4.16Å; L85-W134 HydrophobicContact CB-CE3 4.24Å; L85-W134 HydrophobicContact CB-CH2 3.77Å; L85-W134 HydrophobicContact CB-CZ2 4.16Å; L85-W134 HydrophobicContact CB-CZ3 3.81Å; L85-W134 HydrophobicContact CD1-CB 4.45Å; L85-W134 HydrophobicContact CD1-CD2 3.71Å; L85-W134 HydrophobicContact CD1-CE3 3.77Å; L85-W134 HydrophobicContact CD1-CG 4.04Å; L85-W134 HydrophobicContact CD1-CZ3 4.22Å; L85-W134 HydrophobicContact CD2-CE3 4.29Å; L85-W134 HydrophobicContact CD2-CZ3 4.31Å; L85-W134 HydrophobicContact CG-CE3 4.35Å; L85-W134 HydrophobicContact CG-CZ3 4.36Å; H87-W134 AromaticContact CE1-CE2 3.78Å; H87-W134 AromaticContact CE1-CZ2 3.48Å; H87-W134 VanDerWaalsContact CE1-CZ2 3.48Å; H87-W134 WeakPolarHBondContact CE1-CZ2 3.46Å; H87-W134 AromaticContact CE1-NE1 3.51Å; H87-W134 AromaticContact ND1-CZ2 3.78Å; H87-W134 AromaticContact NE2-CZ2 3.74Å; H87-W134 AromaticContact NE2-NE1 3.76Å; A121-W134 CarbonylContact C-O 3.52Å; A121-W134 WeakPolarHBondContact CA-O 3.37Å; A121-W134 WeakPolarHBondContact CB-O 3.3Å; I122-W134 HydrophobicContact CB-CB 4.23Å; I122-W134 PolarHBondContact N-O 2.88Å; I122-W134 PolarHBondContact O-N 2.9Å; S124-W134 PolarHBondContact OG-NE1 2.82Å; W134-I136 HydrophobicContact CB-CG2 4.42Å; W134-E142 WeakPolarHBondContact CA-O 3.15Å; W134-I143 HydrophobicContact CD2-CG1 3.83Å; W134-I143 HydrophobicContact CE3-CG1 3.59Å; W134-I143 HydrophobicContact CH2-CD1 3.55Å; W134-I143 HydrophobicContact CH2-CG1 3.3Å; W134-I143 HydrophobicContact CZ2-CD1 3.68Å; W134-I143 HydrophobicContact CZ2-CG1 3.55Å; W134-I143 HydrophobicContact CZ3-CD1 4.09Å; W134-I143 HydrophobicContact CZ3-CG1 3.33Å
135N87.7Confident88Confident43 Ų4368.8 Ų68.823%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-91.9114.8166.1-179.4-2.3000109R137 P141 E142 V144N135-R137 VanDerWaalsContact OD1-CB 3.3Å; N135-R137 WeakPolarHBondContact OD1-CB 3.34Å; N135-R137 WeakPolarHBondContact OD1-CG 3.38Å; N135-R137 PolarHBondContact OD1-N 3.4Å; N135-P141 VanDerWaalsContact O-CA 3.22Å; N135-P141 WeakPolarHBondContact O-CA 3.15Å; N135-P141 WeakPolarHBondContact O-CB 3.44Å; N135-E142 PolarHBondContact N-O 2.74Å; N135-E142 PolarHBondContact O-N 3.11Å; N135-V144 HydrophobicContact CB-CG2 3.46Å; N135-V144 VanDerWaalsContact CB-CG2 3.46Å
136I84.5Confident87.9Confident30 Ų3068.9 Ų68.915%0.15434%0.339CS..  trans-102.17.2-179.362.9156.5000113.3L63 I75 F98 G120 I122 W134 L138 P141L63-I136 HydrophobicContact CD1-CD1 3.78Å; I75-I136 HydrophobicContact CD1-CB 4.36Å; I75-I136 HydrophobicContact CD1-CG2 3.58Å; F98-I136 HydrophobicContact CD1-CD1 4.45Å; F98-I136 HydrophobicContact CE1-CD1 3.98Å; G120-I136 WeakPolarHBondContact O-CG1 3.26Å; G120-I136 PolarHBondContact O-N 3.39Å; G120-I136 VanDerWaalsContact O-N 3.08Å; I122-I136 HydrophobicContact CD1-CD1 4.11Å; I122-I136 HydrophobicContact CD1-CG2 3.8Å; I122-I136 HydrophobicContact CG1-CD1 4.11Å; I122-I136 HydrophobicContact CG1-CG1 4.4Å; I122-I136 HydrophobicContact CG1-CG2 3.98Å; W134-I136 HydrophobicContact CB-CG2 4.42Å; I136-L138 VanDerWaalsContact C-N 3.34Å; I136-P141 HydrophobicContact CG2-CB 4.22Å
137R79.5Confident87.7Confident150 Ų15072.6 Ų72.657%0.56636%0.359SS*.SBendtrans-78.2-20.4179.8-54.6174.675148.7-5.5113.2Q119 N135Q119-R137 WeakPolarHBondContact O-CD 3.41Å; Q119-R137 PolarHBondContact O-NH1 3.18Å; N135-R137 VanDerWaalsContact OD1-CB 3.3Å; N135-R137 WeakPolarHBondContact OD1-CB 3.34Å; N135-R137 WeakPolarHBondContact OD1-CG 3.38Å; N135-R137 PolarHBondContact OD1-N 3.4Å
138L73.8Confident87.6Confident94 Ų9477.4 Ų77.449%0.49237%0.372SS..SBendtrans-88.2153.3-178.7-61.8177.1000110.4I136 R140I136-L138 VanDerWaalsContact C-N 3.34Å; L138-R140 WeakPolarHBondContact CB-O 3.4Å; L138-R140 PolarHBondContact O-N 3.35Å; L138-R140 VanDerWaalsContact O-N 3.14Å
139K70Confident87.4Confident216 Ų21680.7 Ų80.794%0.93939%0.385SS*.SBendtrans-53.9-33.1173.3-75.2-172.5177.3-177.60112.2
140R76.9Confident87.3Confident209 Ų20986 Ų8679%0.78941%0.411SS*.SBendtrans-112.4107.8170.4-71.8-173.4177.5146.4-0.7108.4L138L138-R140 WeakPolarHBondContact CB-O 3.4Å; L138-R140 PolarHBondContact O-N 3.35Å; L138-R140 VanDerWaalsContact O-N 3.14Å
141P83.5Confident86.9Confident29 Ų2995.7 Ų95.719%0.18845%0.446CS..  trans-65.4140.5173.425.6-34.3000111V83 L85 N135 I136V83-P141 HydrophobicContact CG1-CG 3.4Å; L85-P141 HydrophobicContact CD2-CB 3.41Å; L85-P141 VanDerWaalsContact CD2-CB 3.41Å; L85-P141 HydrophobicContact CD2-CG 2.99Å; L85-P141 HydrophobicContact CG-CG 4.47Å; N135-P141 VanDerWaalsContact O-CA 3.22Å; N135-P141 WeakPolarHBondContact O-CA 3.15Å; N135-P141 WeakPolarHBondContact O-CB 3.44Å; I136-P141 HydrophobicContact CG2-CB 4.22Å
142E88.6Confident86.3Confident125 Ų125103.2 Ų103.258%0.58448%0.479SS*.EExtended strand (participates in β ladder)trans-135150-173.6-173.2177.6-17700110.4W134 N135 V144W134-E142 WeakPolarHBondContact CA-O 3.15Å; N135-E142 PolarHBondContact N-O 2.74Å; N135-E142 PolarHBondContact O-N 3.11Å; E142-V144 PolarHBondContact O-N 3.3Å
143I90.8Very high85.6Confident39 Ų39117.8 Ų117.820%0.253%0.534CS..EExtended strand (participates in β ladder)trans-74.6110.7169.4-58.6177.7000108.1H132 L133 W134 H145 S146H132-I143 HydrophobicContact CB-CG2 4.13Å; L133-I143 CarbonylContact O-C 3.56Å; W134-I143 HydrophobicContact CD2-CG1 3.83Å; W134-I143 HydrophobicContact CE3-CG1 3.59Å; W134-I143 HydrophobicContact CH2-CD1 3.55Å; W134-I143 HydrophobicContact CH2-CG1 3.3Å; W134-I143 HydrophobicContact CZ2-CD1 3.68Å; W134-I143 HydrophobicContact CZ2-CG1 3.55Å; W134-I143 HydrophobicContact CZ3-CD1 4.09Å; W134-I143 HydrophobicContact CZ3-CG1 3.33Å; I143-H145 WeakPolarHBondContact CG2-O 3.19Å; I143-S146 WeakPolarHBondContact CG2-OG 3.39Å
144V89.4Confident85.2Confident90 Ų90121 Ų12155%0.54555%0.546SS..EExtended strand (participates in β ladder)trans-76.4-40.8175.5-178.20000110.8L133 N135 E142L133-V144 HydrophobicContact CD2-CB 4.41Å; L133-V144 HydrophobicContact CG-CB 4.48Å; L133-V144 PolarHBondContact O-N 3.34Å; N135-V144 HydrophobicContact CB-CG2 3.46Å; N135-V144 VanDerWaalsContact CB-CG2 3.46Å; E142-V144 PolarHBondContact O-N 3.3Å
145H89Confident84.9Confident101 Ų101126.9 Ų126.947%0.46857%0.573SS.*EExtended strand (participates in β ladder)trans-148.2148.7-175.7-159.759.5000111.8H132 L133 I143 L147H132-H145 CarbonylContact C-O 3.6Å; H132-H145 VanDerWaalsContact CA-O 3.3Å; H132-H145 WeakPolarHBondContact CA-O 3.37Å; L133-H145 HydrophobicContact CB-CB 4.23Å; L133-H145 PolarHBondContact N-O 3.32Å; L133-H145 PolarHBondContact O-N 3.43Å; I143-H145 WeakPolarHBondContact CG2-O 3.19Å; H145-L147 WeakPolarHBondContact NE2-CD2 3.45Å
146S92.8Very high84.7Confident62 Ų62131.6 Ų131.643%0.43459%0.592SS.*EExtended strand (participates in β ladder)trans-135.1124.8177.1-56.20000108.5V131 H132 I143V131-S146 CarbonylContact O-C 3.58Å; V131-S146 WeakPolarHBondContact O-CA 3.16Å; H132-S146 PolarHBondContact CE1-OG 3.27Å; H132-S146 WeakPolarHBondContact ND1-CB 3.18Å; H132-S146 PolarHBondContact ND1-OG 3.03Å; I143-S146 WeakPolarHBondContact CG2-OG 3.39Å
147L92.3Very high84.8Confident80 Ų80137.5 Ų137.542%0.41962%0.618SS.*EExtended strand (participates in β ladder)trans-116.2129.3175.1-68.3172.7000108.3C130 V131 H145 F149C130-L147 CarbonylContact C-O 3.57Å; C130-L147 VanDerWaalsContact CA-O 3.26Å; C130-L147 WeakPolarHBondContact CA-O 3.3Å; V131-L147 PolarHBondContact N-O 3.18Å; V131-L147 PolarHBondContact O-N 3.41Å; H145-L147 WeakPolarHBondContact NE2-CD2 3.45Å; L147-F149 HydrophobicContact CB-CD2 4.46Å; L147-F149 HydrophobicContact CB-CE2 3.67Å; L147-F149 HydrophobicContact CB-CZ 3.97Å; L147-F149 HydrophobicContact CD1-CE2 4.49Å; L147-F149 HydrophobicContact CD1-CZ 4.11Å
148K92.1Very high85.1Confident157 Ų157136.8 Ų136.868%0.68362%0.621SS**EExtended strand (participates in β ladder)trans-105.9122.5173.3-175.7171.5-177.2175.70109
149F89.6Confident85.8Confident112 Ų112139.6 Ų139.649%0.49163%0.63SS.*PPolyproline II helixtrans-98.8146.2178-64.1-85.8000110.5C129 V131 L147C129-F149 WeakPolarHBondContact CB-O 3.46Å; C129-F149 PolarHBondContact O-N 3.21Å; V131-F149 HydrophobicContact CB-CE2 3.93Å; V131-F149 HydrophobicContact CG2-CD2 3.89Å; V131-F149 HydrophobicContact CG2-CE2 3.56Å; L147-F149 HydrophobicContact CB-CD2 4.46Å; L147-F149 HydrophobicContact CB-CE2 3.67Å; L147-F149 HydrophobicContact CB-CZ 3.97Å; L147-F149 HydrophobicContact CD1-CE2 4.49Å; L147-F149 HydrophobicContact CD1-CZ 4.11Å
150N88.7Confident87Confident150 Ų150134.1 Ų134.180%0.80261%0.608SS**PPolyproline II helixtrans-84.3148.2166.7-70.5-32.1000108.9E152N150-E152 PolarHBondContact O-N 2.73Å
151R83.3Confident87.8Confident210 Ų210128.4 Ų128.479%0.79259%0.594SS**PPolyproline II helixtrans-63.3131.6170.9-67.9-177.2-179.3172.7-0.9108.9
152E82.1Confident88.1Confident194 Ų194136.7 Ų136.791%0.90763%0.628SS**PPolyproline II helixtrans-61.4146.3166.4-66.4-175.9166.300109.3N150N150-E152 PolarHBondContact O-N 2.73Å
153R78.7Confident88.1Confident320 Ų320137.7 Ų137.7100%1.20863%0.632SS**  trans-86.60180-86.7-173.2177.4174.2-0.5111.4

Retrieved 153 of 153 residues in 92.6 ms (Link to these results)