A0A077YYW0_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077YYW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M44.5Very low49Very low245 Ų245131.7 Ų131.7100%1.20780%0.799SS**  0102.70-72.7171178.400106.8
2S60.1Low49.1Very low121 Ų121133.1 Ų133.185%0.84680%0.798SS**  trans-136.7102.9174.5-58.80000105.6K4S2-K4 PolarHBondContact O-N 3.34Å
3D54.5Low49.5Very low170 Ų170130 Ų13091%0.90978%0.78SS**PPolyproline II helixtrans-63.5121.7175.2-100.4-45.2000109.2
4K51.8Low50.7Low158 Ų158127.5 Ų127.569%0.68776%0.761SS**PPolyproline II helixtrans-71.2136.5169.8-174.6-177.3173.5-159.90107.5S2 E7S2-K4 PolarHBondContact O-N 3.34Å; K4-E7 IonicContact NZ-OE2 3.09Å; K4-E7 PolarHBondContact NZ-OE2 3.09Å; K4-E7 VanDerWaalsContact NZ-OE2 3.09Å
5P55.9Low52.4Low105 Ų105121.7 Ų121.768%0.68272%0.723SS**PPolyproline II helixtrans-60147.8176.6-16.328.5000110.6E7P5-E7 PolarHBondContact O-N 2.77Å
6P55.5Low55Low128 Ų128114.8 Ų114.883%0.83168%0.681SS**PPolyproline II helixtrans-60.2128.8-179.423.1-31.2000110.9A8P6-A8 PolarHBondContact O-N 2.83Å
7E48.7Very low57.4Low158 Ų158116.4 Ų116.474%0.73867%0.673SS**PPolyproline II helixtrans-64.3124.5176.7-158.3148.2150.100109.1K4 P5 A9K4-E7 IonicContact NZ-OE2 3.09Å; K4-E7 PolarHBondContact NZ-OE2 3.09Å; K4-E7 VanDerWaalsContact NZ-OE2 3.09Å; P5-E7 PolarHBondContact O-N 2.77Å; E7-A9 PolarHBondContact O-N 3.31Å
8A43.9Very low59.6Low87 Ų87110.2 Ų110.272%0.71964%0.637SS**PPolyproline II helixtrans-57.6132.2-177.200000110.6P6P6-A8 PolarHBondContact O-N 2.83Å
9A38.6Very low61.5Low81 Ų81110.4 Ų110.467%0.66963%0.631SS**PPolyproline II helixtrans-54133.3-179.800000111.1E7 G11E7-A9 PolarHBondContact O-N 3.31Å; A9-G11 PolarHBondContact O-N 3.33Å
10P41.5Very low63.2Low136 Ų136107.4 Ų107.488%0.88362%0.616SS**THydrogen-bonded Turntrans-74.389.4178.629.7-31.4000108.5
11G44.4Very low64.7Low60 Ų60106.4 Ų106.462%0.61961%0.609SS**THydrogen-bonded Turntrans-153.8-27.4-17800000115.9A9A9-G11 PolarHBondContact O-N 3.33Å
12D49.6Very low67Low148 Ų148102.9 Ų102.979%0.79159%0.587SS**  trans-142.424-173.2-101-24.3000113.9D14D12-D14 PolarHBondContact O-N 2.71Å
13V54.2Low68.8Low93 Ų93103.5 Ų103.556%0.56457%0.571SS**  trans-78.5111.2171.4-1720000107.8E15V13-E15 PolarHBondContact O-N 2.76Å
14D66.7Low70.7Confident95 Ų9595.5 Ų95.551%0.50853%0.528SS..  trans-46.9113.3175.4-89.1-25.6000110.6D12 L16 V43D12-D14 PolarHBondContact O-N 2.71Å; D14-L16 PolarHBondContact O-N 3.49Å; D14-V43 WeakPolarHBondContact O-CG2 3.31Å
15E76.7Confident72.8Confident41 Ų4189.9 Ų89.919%0.19251%0.509CS..SBendtrans-58.8-29.9-178.7-64.2-175.5172.300112.8V13 V43 C44V13-E15 PolarHBondContact O-N 2.76Å; E15-V43 VanDerWaalsContact O-CG2 3.24Å; E15-V43 WeakPolarHBondContact O-CG2 3.5Å; E15-V43 PolarHBondContact O-N 2.82Å; E15-C44 WeakPolarHBondContact CA-SG 3.23Å; E15-C44 WeakPolarHBondContact CB-SG 3.23Å; E15-C44 WeakPolarHBondContact CG-SG 3.39Å
16L93.4Very high74.7Confident11 Ų1185.1 Ų85.16%0.05848%0.477CS..EExtended strand (participates in β ladder)trans-123.9114.4-179.8-174.975.8000110.2D14 L40 H41 I48 L69 V96D14-L16 PolarHBondContact O-N 3.49Å; L16-L40 HydrophobicContact CD1-CB 3.99Å; L16-L40 HydrophobicContact CD2-CD2 4.37Å; L16-H41 WeakPolarHBondContact CA-O 3.47Å; L16-H41 WeakPolarHBondContact CD1-O 3.44Å; L16-I48 HydrophobicContact CB-CD1 4.09Å; L16-I48 HydrophobicContact CD1-CD1 3.38Å; L16-I48 HydrophobicContact CG-CD1 4.24Å; L16-L69 HydrophobicContact CD1-CD1 4.05Å; L16-V96 HydrophobicContact CD2-CB 4.48Å; L16-V96 HydrophobicContact CD2-CG1 3.51Å
17R95.2Very high76.5Confident142 Ų14283.2 Ų83.254%0.53646%0.46SS..EExtended strand (participates in β ladder)trans-88.8154.2170.4-67.7-171.6-178.4178.40.2110.9H41 V43R17-H41 HydrophobicContact CB-CB 4.41Å; R17-H41 PolarHBondContact N-O 2.94Å; R17-H41 PolarHBondContact O-N 3.32Å; R17-V43 HydrophobicContact CB-CG1 4.35Å; R17-V43 HydrophobicContact CG-CG1 3.81Å; R17-V43 HydrophobicContact CG-CG2 4.36Å
18T96.8Very high78.6Confident4 Ų478.2 Ų78.23%0.02544%0.442CS..EExtended strand (participates in β ladder)trans-130.7143.2177.765.70000111.6P20 D21 R39 L40 K123 I125T18-P20 CarbonylContact C-O 3.55Å; T18-P20 CarbonylContact O-C 3.53Å; T18-P20 PolarHBondContact OG1-O 3.38Å; T18-D21 VanDerWaalsContact O-CA 3.23Å; T18-D21 WeakPolarHBondContact O-CA 2.85Å; T18-D21 WeakPolarHBondContact O-CB 3.25Å; T18-D21 PolarHBondContact O-N 3Å; T18-R39 CarbonylContact C-O 3.52Å; T18-R39 VanDerWaalsContact CA-O 3.23Å; T18-R39 WeakPolarHBondContact CA-O 2.96Å; T18-L40 HydrophobicContact CG2-CD2 3.65Å; T18-K123 HydrophobicContact CG2-CD 3.85Å; T18-K123 VanDerWaalsContact OG1-CE 3.25Å; T18-K123 WeakPolarHBondContact OG1-CE 3.45Å; T18-K123 PolarHBondContact OG1-NZ 3.09Å; T18-I125 HydrophobicContact CG2-CD1 4.16Å
19E96.4Very high81Confident114 Ų11477.9 Ų77.953%0.53343%0.433SS..EExtended strand (participates in β ladder)trans-127.7114.6172.8-60.2172.9170.800108.3R39E19-R39 HydrophobicContact CB-CB 4.19Å; E19-R39 PolarHBondContact N-O 3.11Å; E19-R39 PolarHBondContact O-N 2.95Å; E19-R39 IonicContact OE2-NH1 2.63Å
20P96.5Very high83.6Confident50 Ų5074.7 Ų74.733%0.32540%0.404SS..SBendcis-66.5152.2-1.630.7-36.6000113.2T18 R23 I24T18-P20 CarbonylContact C-O 3.55Å; T18-P20 CarbonylContact O-C 3.53Å; T18-P20 PolarHBondContact OG1-O 3.38Å; P20-R23 VanDerWaalsContact CB-O 3.26Å; P20-R23 WeakPolarHBondContact CB-O 3.5Å; P20-R23 WeakPolarHBondContact CG-O 3.11Å; P20-I24 HydrophobicContact CG-CG1 3.61Å
21D93.4Very high86Confident88 Ų8871.9 Ų71.947%0.47139%0.393SS..SBendtrans-86.6-39.6-175.9-178.663.8000112.9T18 K123T18-D21 VanDerWaalsContact O-CA 3.23Å; T18-D21 WeakPolarHBondContact O-CA 2.85Å; T18-D21 WeakPolarHBondContact O-CB 3.25Å; T18-D21 PolarHBondContact O-N 3Å; D21-K123 IonicContact OD1-NZ 3.42Å; D21-K123 PolarHBondContact OD1-NZ 3.14Å
22K94.3Very high88.4Confident170 Ų17072.9 Ų72.974%0.73939%0.386SS*.SBendtrans-97.5-38.3-168.1-65.2-177179-179.90114.7P126K22-P126 WeakPolarHBondContact O-CD 3.46Å
23R96Very high90.6Very high134 Ų13473.6 Ų73.651%0.50638%0.378SS..  trans-167160.9-175.865.9-178.1-175.5-123.21.5111.5P20 P126P20-R23 VanDerWaalsContact CB-O 3.26Å; P20-R23 WeakPolarHBondContact CB-O 3.5Å; P20-R23 WeakPolarHBondContact CG-O 3.11Å; R23-P126 VanDerWaalsContact CA-O 3.29Å; R23-P126 WeakPolarHBondContact CA-O 3.3Å; R23-P126 WeakPolarHBondContact CB-O 3.47Å
24I96.2Very high92.6Very high2 Ų271.1 Ų71.11%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-111.3134165.6-67155.5000107.9P20 F26 S36 L38 I79 L94 I125 P126 I127 H128P20-I24 HydrophobicContact CG-CG1 3.61Å; I24-F26 HydrophobicContact CG2-CD2 4.28Å; I24-F26 HydrophobicContact CG2-CE2 3.63Å; I24-F26 HydrophobicContact CG2-CZ 3.98Å; I24-S36 WeakPolarHBondContact CG2-OG 3.4Å; I24-L38 HydrophobicContact CD1-CB 4.45Å; I24-L38 HydrophobicContact CD1-CD1 4.49Å; I24-I79 HydrophobicContact CD1-CD1 3.57Å; I24-L94 HydrophobicContact CD1-CD1 3.76Å; I24-I125 HydrophobicContact CD1-CG2 3.91Å; I24-I125 HydrophobicContact CG1-CG2 3.98Å; I24-P126 PolarHBondContact N-O 3.19Å; I24-I127 HydrophobicContact CB-CD1 3.78Å; I24-I127 HydrophobicContact CD1-CD1 4.15Å; I24-I127 HydrophobicContact CG2-CD1 4.19Å; I24-I127 CarbonylContact O-C 3.46Å; I24-I127 WeakPolarHBondContact O-CA 3.39Å; I24-H128 PolarHBondContact O-N 2.94Å
25S94.9Very high94Very high41 Ų4175.2 Ų75.229%0.28737%0.374SS..EExtended strand (participates in β ladder)trans-113.9136.5-178.1-65.90000111.4H128S25-H128 CarbonylContact C-O 3.54Å; S25-H128 VanDerWaalsContact CA-O 3.26Å; S25-H128 WeakPolarHBondContact CA-O 3.04Å
26F95.3Very high94.9Very high5 Ų574.8 Ų74.82%0.02238%0.375CS..EExtended strand (participates in β ladder)trans-118.6133.5170.7-68.9-79.2000108.6I24 F30 Q34 F60 I79 M81 I127 H128 Y129 H130I24-F26 HydrophobicContact CG2-CD2 4.28Å; I24-F26 HydrophobicContact CG2-CE2 3.63Å; I24-F26 HydrophobicContact CG2-CZ 3.98Å; F26-F30 HydrophobicContact CB-CE1 4.5Å; F26-Q34 HydrophobicContact CD1-CB 3.72Å; F26-Q34 HydrophobicContact CE1-CB 4.09Å; F26-F60 HydrophobicContact CD2-CE1 4.16Å; F26-F60 HydrophobicContact CE2-CD1 4.4Å; F26-F60 AromaticContact CE2-CE1 3.52Å; F26-F60 HydrophobicContact CE2-CE1 3.52Å; F26-F60 HydrophobicContact CE2-CZ 4.27Å; F26-F60 HydrophobicContact CZ-CD1 4.48Å; F26-F60 AromaticContact CZ-CE1 3.95Å; F26-F60 HydrophobicContact CZ-CE1 3.95Å; F26-I79 HydrophobicContact CZ-CG2 4.12Å; F26-M81 HydrophobicContact CB-CE 3.88Å; F26-M81 HydrophobicContact CB-SD 3.8Å; F26-M81 HydrophobicContact CD1-CB 3.93Å; F26-M81 HydrophobicContact CD1-CE 4.11Å; F26-M81 HydrophobicContact CD1-SD 4Å; F26-M81 HydrophobicContact CD2-SD 3.85Å; F26-M81 HydrophobicContact CE1-CB 3.68Å; F26-M81 HydrophobicContact CE2-CB 4.35Å; F26-M81 HydrophobicContact CE2-SD 4.45Å; F26-M81 HydrophobicContact CG-CB 4.36Å; F26-M81 HydrophobicContact CG-CE 4.05Å; F26-M81 HydrophobicContact CG-SD 3.6Å; F26-M81 VanDerWaalsContact CG-SD 3.6Å; F26-M81 HydrophobicContact CZ-CB 3.91Å; F26-I127 HydrophobicContact CD2-CG2 3.64Å; F26-I127 HydrophobicContact CE2-CD1 4.41Å; F26-I127 HydrophobicContact CE2-CG2 3.94Å; F26-H128 PolarHBondContact N-O 2.86Å; F26-Y129 HydrophobicContact CB-CD1 4.42Å; F26-Y129 WeakPolarHBondContact O-CA 3.43Å; F26-H130 PolarHBondContact O-N 3.2Å
27N94Very high95.1Very high87 Ų8776.5 Ų76.547%0.46539%0.388SS..EExtended strand (participates in β ladder)trans-100.7144.1-176.8-55.9-60.4000110.5F30 Q34 H130N27-F30 VanDerWaalsContact C-CE1 3.43Å; N27-Q34 PolarHBondContact O-NE2 2.96Å; N27-Q34 PolarHBondContact O-OE1 3.46Å; N27-H130 CarbonylContact C-O 3.55Å; N27-H130 WeakPolarHBondContact OD1-CB 3.33Å; N27-H130 PolarHBondContact OD1-ND1 2.8Å
28S92.9Very high95.2Very high53 Ų5369.8 Ų69.837%0.37136%0.362SS..SBendtrans-56146.6169.8-177.90000110.5H130S28-H130 WeakPolarHBondContact CB-O 3.24Å; S28-H130 PolarHBondContact N-O 3.16Å
29P93.9Very high95.3Very high81 Ų8174.8 Ų74.853%0.52638%0.381SS..PPolyproline II helixcis-83.4139.83.232.6-34.4000114.2A31P29-A31 PolarHBondContact O-N 3.4Å
30F93.2Very high95.4Very high14 Ų1469.3 Ų69.36%0.06136%0.355CS..THydrogen-bonded Turntrans-85.216.1176.6-45.7-50.9000114F26 N27 T32 M81 P83 F84 Y86 Y129 H130 F131F26-F30 HydrophobicContact CB-CE1 4.5Å; N27-F30 VanDerWaalsContact C-CE1 3.43Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-M81 HydrophobicContact CB-CE 4.3Å; F30-M81 HydrophobicContact CD1-CE 3.75Å; F30-M81 HydrophobicContact CG-CE 4.4Å; F30-P83 VanDerWaalsContact O-CA 3.31Å; F30-P83 WeakPolarHBondContact O-CA 2.98Å; F30-F84 HydrophobicContact CB-CD1 4.08Å; F30-F84 HydrophobicContact CB-CE1 3.76Å; F30-F84 HydrophobicContact CB-CZ 4.43Å; F30-F84 HydrophobicContact CD1-CE1 4.47Å; F30-F84 HydrophobicContact CD2-CE1 4.49Å; F30-F84 HydrophobicContact CD2-CZ 4.41Å; F30-F84 AromaticContact CG-CE1 3.99Å; F30-F84 HydrophobicContact CG-CE1 3.99Å; F30-F84 HydrophobicContact CG-CZ 4.35Å; F30-F84 PolarHBondContact O-N 3.42Å; F30-Y86 HydrophobicContact CD2-CG 4.42Å; F30-Y86 HydrophobicContact CE2-CD2 4.15Å; F30-Y86 HydrophobicContact CE2-CG 4.18Å; F30-Y129 HydrophobicContact CD1-CD1 4.47Å; F30-Y129 HydrophobicContact CE1-CD1 4.02Å; F30-Y129 HydrophobicContact CZ-CD1 4.07Å; F30-Y129 HydrophobicContact CZ-CG 4.37Å; F30-H130 WeakPolarHBondContact CZ-O 3.24Å; F30-F131 HydrophobicContact CE2-CD1 4.33Å; F30-F131 AromaticContact CE2-CE1 3.61Å; F30-F131 HydrophobicContact CE2-CE1 3.61Å; F30-F131 HydrophobicContact CE2-CE2 4.47Å; F30-F131 AromaticContact CE2-CZ 3.65Å; F30-F131 HydrophobicContact CE2-CZ 3.65Å; F30-F131 HydrophobicContact CZ-CE1 4.37Å; F30-F131 HydrophobicContact CZ-CZ 4.26Å
31A93Very high95.4Very high77 Ų7769.7 Ų69.764%0.63635%0.353SS*.THydrogen-bonded Turntrans-84.5-5.7178.900000113.1P29 P83P29-A31 PolarHBondContact O-N 3.4Å; A31-P83 WeakPolarHBondContact O-CB 3.4Å
32T93.2Very high95.6Very high80 Ų8065.5 Ų65.549%0.49133%0.33SS..SBendtrans-126.8159.2-179.263.60000110.9F30 Q34F30-T32 VanDerWaalsContact C-N 3.31Å; T32-Q34 PolarHBondContact O-N 2.63Å
33R95.6Very high95.6Very high164 Ų16458.8 Ų58.862%0.61930%0.303SS*.  trans-67.4127.7174.9-179.7-176.1-68.6-172.8-0.7109.4A80 M81R33-A80 HydrophobicContact CG-CB 4.25Å; R33-M81 VanDerWaalsContact CA-O 3.27Å; R33-M81 WeakPolarHBondContact CA-O 3.3Å
34Q96.8Very high95.4Very high40 Ų4053.6 Ų53.619%0.18729%0.287CS..EExtended strand (participates in β ladder)trans-116.7142.2176-61.8-171.7-51.600110.9F26 N27 T32 A80 M81F26-Q34 HydrophobicContact CD1-CB 3.72Å; F26-Q34 HydrophobicContact CE1-CB 4.09Å; N27-Q34 PolarHBondContact O-NE2 2.96Å; N27-Q34 PolarHBondContact O-OE1 3.46Å; T32-Q34 PolarHBondContact O-N 2.63Å; Q34-A80 CarbonylContact O-C 3.58Å; Q34-A80 VanDerWaalsContact O-CA 3.29Å; Q34-A80 WeakPolarHBondContact O-CA 3.25Å; Q34-M81 HydrophobicContact CB-CE 4.3Å; Q34-M81 HydrophobicContact CG-CE 4.26Å; Q34-M81 PolarHBondContact N-O 3.42Å; Q34-M81 PolarHBondContact O-N 3.44Å
35K96.5Very high95.2Very high181 Ų18159.7 Ų59.779%0.78732%0.32SS*.EExtended strand (participates in β ladder)trans-108.6143.3-178.9-63-178.8-176.8177.50110.5I79K35-I79 CarbonylContact C-O 3.6Å; K35-I79 WeakPolarHBondContact CA-O 3.43Å
36S96.4Very high95.2Very high32 Ų3262.5 Ų62.522%0.22433%0.327CS..EExtended strand (participates in β ladder)trans-138.8166.5169.2-174.80000108.8I24 I79I24-S36 WeakPolarHBondContact CG2-OG 3.4Å; S36-I79 PolarHBondContact N-O 2.89Å; S36-I79 PolarHBondContact O-N 2.87Å; S36-I79 VanDerWaalsContact O-O 3.08Å
37C96.8Very high95.3Very high48 Ų4863.2 Ų63.232%0.32433%0.332SS..EExtended strand (participates in β ladder)trans-132.3133.4175.5-178.20000108.8V77C37-V77 WeakPolarHBondContact CA-O 3.33Å
38L97.6Very high95.4Very high0 Ų059 Ų590%031%0.31CS..EExtended strand (participates in β ladder)trans-110.7111.1169.9176.868000108.1I24 L40 V77 I79 V96 I125I24-L38 HydrophobicContact CD1-CB 4.45Å; I24-L38 HydrophobicContact CD1-CD1 4.49Å; L38-L40 HydrophobicContact CD2-CD2 3.89Å; L38-L40 HydrophobicContact CG-CD2 3.92Å; L38-V77 HydrophobicContact CB-CB 4.27Å; L38-V77 PolarHBondContact N-O 3.37Å; L38-V77 WeakPolarHBondContact O-CA 3.39Å; L38-V77 WeakPolarHBondContact O-CB 3.28Å; L38-V77 PolarHBondContact O-N 2.98Å; L38-I79 HydrophobicContact CB-CD1 3.67Å; L38-V96 HydrophobicContact CD2-CG2 3.98Å; L38-I125 HydrophobicContact CD1-CD1 3.41Å; L38-I125 VanDerWaalsContact CD1-CD1 3.41Å; L38-I125 HydrophobicContact CD2-CD1 3.66Å; L38-I125 HydrophobicContact CG-CD1 4.17Å
39R98.1Very high95.6Very high109 Ų10956.6 Ų56.641%0.41129%0.292SS..EExtended strand (participates in β ladder)trans-84.5130.3173.5-172.2176.7-177.4-168.82.8109.3T18 E19 T75 N76T18-R39 CarbonylContact C-O 3.52Å; T18-R39 VanDerWaalsContact CA-O 3.23Å; T18-R39 WeakPolarHBondContact CA-O 2.96Å; E19-R39 HydrophobicContact CB-CB 4.19Å; E19-R39 PolarHBondContact N-O 3.11Å; E19-R39 PolarHBondContact O-N 2.95Å; E19-R39 IonicContact OE2-NH1 2.63Å; R39-T75 CarbonylContact C-O 3.52Å; R39-T75 WeakPolarHBondContact CA-O 3.12Å; R39-N76 WeakPolarHBondContact CG-OD1 3.39Å
40L98Very high95.8Very high0 Ų052.9 Ų52.90%027%0.268CS..EExtended strand (participates in β ladder)trans-104.6133.1172.9-52.9-176.3000108L16 T18 L38 W50 L69 S74 T75 V77 V96L16-L40 HydrophobicContact CD1-CB 3.99Å; L16-L40 HydrophobicContact CD2-CD2 4.37Å; T18-L40 HydrophobicContact CG2-CD2 3.65Å; L38-L40 HydrophobicContact CD2-CD2 3.89Å; L38-L40 HydrophobicContact CG-CD2 3.92Å; L40-W50 HydrophobicContact CD1-CD2 3.51Å; L40-W50 HydrophobicContact CD1-CE3 3.5Å; L40-W50 HydrophobicContact CD1-CG 3.99Å; L40-W50 HydrophobicContact CD1-CH2 4.34Å; L40-W50 HydrophobicContact CD1-CZ2 4.35Å; L40-W50 HydrophobicContact CD1-CZ3 3.94Å; L40-L69 HydrophobicContact CB-CD1 4.2Å; L40-S74 CarbonylContact O-C 3.53Å; L40-S74 WeakPolarHBondContact O-CA 3.18Å; L40-S74 WeakPolarHBondContact O-CB 3.26Å; L40-T75 HydrophobicContact CB-CG2 4.14Å; L40-T75 HydrophobicContact CD1-CG2 4.37Å; L40-T75 HydrophobicContact CG-CG2 4.5Å; L40-T75 PolarHBondContact N-O 3.16Å; L40-T75 PolarHBondContact O-N 2.94Å; L40-V77 HydrophobicContact CD1-CG2 3.82Å; L40-V77 HydrophobicContact CG-CG2 4.06Å; L40-V96 HydrophobicContact CD1-CG1 4.23Å; L40-V96 HydrophobicContact CD2-CG1 4.22Å; L40-V96 HydrophobicContact CD2-CG2 4.06Å
41H97.4Very high96Very high58 Ų5853 Ų5327%0.26927%0.269SS..EExtended strand (participates in β ladder)trans-128.5117.9178.6-179.151.9000110.6L16 R17 V43 K72 A73 S74L16-H41 WeakPolarHBondContact CA-O 3.47Å; L16-H41 WeakPolarHBondContact CD1-O 3.44Å; R17-H41 HydrophobicContact CB-CB 4.41Å; R17-H41 PolarHBondContact N-O 2.94Å; R17-H41 PolarHBondContact O-N 3.32Å; H41-V43 WeakPolarHBondContact CD2-CG1 3.26Å; H41-V43 PolarHBondContact O-N 2.94Å; H41-K72 PolarHBondContact CE1-O 2.96Å; H41-A73 PolarHBondContact ND1-O 2.98Å; H41-A73 VanDerWaalsContact ND1-O 3.16Å; H41-S74 PolarHBondContact ND1-OG 2.86Å
42N96.9Very high96.2Very high0 Ų049.8 Ų49.80%024%0.241CC..EExtended strand (participates in β ladder)trans-75.5109.2173-179.48.3000108.7C44 K46 I48 L69 E70 K72 A73N42-C44 VanDerWaalsContact OD1-CB 3.26Å; N42-C44 WeakPolarHBondContact OD1-CB 3.32Å; N42-C44 PolarHBondContact OD1-N 2.86Å; N42-K46 PolarHBondContact ND2-O 3.26Å; N42-I48 HydrophobicContact CB-CD1 3.69Å; N42-I48 HydrophobicContact CB-CG1 4.01Å; N42-L69 HydrophobicContact CB-CB 3.92Å; N42-L69 HydrophobicContact CB-CD1 4.24Å; N42-L69 PolarHBondContact ND2-O 3.29Å; N42-E70 PolarHBondContact ND2-O 3.45Å; N42-K72 WeakPolarHBondContact O-CA 3.4Å; N42-K72 PolarHBondContact O-N 3.33Å; N42-A73 PolarHBondContact N-O 2.84Å
43V94.9Very high96.3Very high28 Ų2850.5 Ų50.517%0.1724%0.238CC..  trans-91.9-3.7177.2-65.60000112.8D14 E15 R17 H41 K72D14-V43 WeakPolarHBondContact O-CG2 3.31Å; E15-V43 VanDerWaalsContact O-CG2 3.24Å; E15-V43 WeakPolarHBondContact O-CG2 3.5Å; E15-V43 PolarHBondContact O-N 2.82Å; R17-V43 HydrophobicContact CB-CG1 4.35Å; R17-V43 HydrophobicContact CG-CG1 3.81Å; R17-V43 HydrophobicContact CG-CG2 4.36Å; H41-V43 WeakPolarHBondContact CD2-CG1 3.26Å; H41-V43 PolarHBondContact O-N 2.94Å; V43-K72 PolarHBondContact O-NZ 2.93Å
44C91.3Very high96.2Very high25 Ų2544.6 Ų44.617%0.16922%0.22CC..SBendtrans-74.7164.7176.8-64.80000112.9E15 N42 K46 K72E15-C44 WeakPolarHBondContact CA-SG 3.23Å; E15-C44 WeakPolarHBondContact CB-SG 3.23Å; E15-C44 WeakPolarHBondContact CG-SG 3.39Å; N42-C44 VanDerWaalsContact OD1-CB 3.26Å; N42-C44 WeakPolarHBondContact OD1-CB 3.32Å; N42-C44 PolarHBondContact OD1-N 2.86Å; C44-K46 VanDerWaalsContact C-N 3.25Å; C44-K72 WeakPolarHBondContact O-CE 3.46Å; C44-K72 PolarHBondContact O-N 2.91Å
45D93.5Very high96Very high130 Ų13045.9 Ų45.970%0.69523%0.231SC*.SBendtrans-89.27.1167.6-57.3-41.9000112.2P71 K72D45-P71 WeakPolarHBondContact O-CG 3.31Å; D45-K72 WeakPolarHBondContact OD1-CE 3.44Å; D45-K72 IonicContact OD1-NZ 2.71Å; D45-K72 PolarHBondContact OD1-NZ 3.16Å
46K94.6Very high95.5Very high101 Ų10139.9 Ų39.944%0.43921%0.206SC..SBendtrans-121.1149.5178.3-64.4-169.8177.1-165.50111N42 C44 V100N42-K46 PolarHBondContact ND2-O 3.26Å; C44-K46 VanDerWaalsContact C-N 3.25Å; K46-V100 HydrophobicContact CB-CG1 3.82Å; K46-V100 HydrophobicContact CD-CG1 3.7Å; K46-V100 HydrophobicContact CG-CG1 4.41Å
47P96.1Very high94.9Very high19 Ų1942.2 Ų42.212%0.12323%0.227CC..  trans-64.6143.7171.927.7-33.5000110.3L69 I101P47-L69 VanDerWaalsContact CA-O 3.3Å; P47-L69 WeakPolarHBondContact CA-O 3.29Å; P47-I101 HydrophobicContact CB-CB 4.38Å; P47-I101 HydrophobicContact CB-CD1 4.36Å; P47-I101 HydrophobicContact CG-CB 4.17Å; P47-I101 PolarHBondContact O-N 2.9Å
48I96.6Very high94.5Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-123.4151.4176.166.2176.6000109.7L16 N42 A68 L69 C99 V100L16-I48 HydrophobicContact CB-CD1 4.09Å; L16-I48 HydrophobicContact CD1-CD1 3.38Å; L16-I48 HydrophobicContact CG-CD1 4.24Å; N42-I48 HydrophobicContact CB-CD1 3.69Å; N42-I48 HydrophobicContact CB-CG1 4.01Å; I48-A68 CarbonylContact O-C 3.59Å; I48-A68 VanDerWaalsContact O-CA 3.31Å; I48-A68 WeakPolarHBondContact O-CA 3.4Å; I48-L69 HydrophobicContact CD1-CD1 4.44Å; I48-L69 HydrophobicContact CG1-CB 3.96Å; I48-L69 PolarHBondContact N-O 3Å; I48-L69 PolarHBondContact O-N 3Å; I48-C99 WeakPolarHBondContact CA-O 3.22Å; I48-C99 WeakPolarHBondContact CB-O 3.47Å; I48-V100 HydrophobicContact CG2-CG2 4.35Å
49M97.3Very high94.2Very high1 Ų147.1 Ų47.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-106.6154.3162.964.6173.4179.600110.2G67 S98 C99 I101 F109 D110 Y113 L114M49-G67 WeakPolarHBondContact CA-O 3.5Å; M49-S98 WeakPolarHBondContact O-CA 3.4Å; M49-S98 WeakPolarHBondContact O-CB 3.37Å; M49-C99 WeakPolarHBondContact CE-SG 3.37Å; M49-C99 PolarHBondContact N-O 3.27Å; M49-C99 PolarHBondContact O-N 2.91Å; M49-C99 VanDerWaalsContact O-N 3.16Å; M49-I101 HydrophobicContact CB-CD1 4.03Å; M49-I101 HydrophobicContact CB-CG1 3.99Å; M49-I101 HydrophobicContact CG-CG1 4.2Å; M49-F109 HydrophobicContact CB-CD2 4.22Å; M49-F109 HydrophobicContact SD-CD2 4.32Å; M49-D110 WeakPolarHBondContact CE-O 3.46Å; M49-D110 HydrophobicContact SD-CB 4.31Å; M49-D110 PolarHBondContact SD-N 2.88Å; M49-D110 VanDerWaalsContact SD-N 3.45Å; M49-Y113 HydrophobicContact CE-CD1 3.27Å; M49-Y113 HydrophobicContact CE-CE1 3.94Å; M49-Y113 HydrophobicContact CE-CG 4.17Å; M49-Y113 HydrophobicContact SD-CD1 4.38Å; M49-L114 VanDerWaalsContact CE-CA 3.48Å; M49-L114 HydrophobicContact CE-CB 3.53Å; M49-L114 HydrophobicContact CE-CD1 3.88Å; M49-L114 HydrophobicContact CE-CG 4.31Å
50W97.7Very high94Very high4 Ų442.3 Ų42.32%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-145.6153.4-175.761.8-91.5000112.2L40 V52 P64 C66 G67 T75 V77 Q97 F109L40-W50 HydrophobicContact CD1-CD2 3.51Å; L40-W50 HydrophobicContact CD1-CE3 3.5Å; L40-W50 HydrophobicContact CD1-CG 3.99Å; L40-W50 HydrophobicContact CD1-CH2 4.34Å; L40-W50 HydrophobicContact CD1-CZ2 4.35Å; L40-W50 HydrophobicContact CD1-CZ3 3.94Å; W50-V52 HydrophobicContact CE3-CG2 3.96Å; W50-V52 HydrophobicContact CZ3-CG2 3.78Å; W50-P64 HydrophobicContact CH2-CB 3.95Å; W50-P64 HydrophobicContact CH2-CG 3.8Å; W50-P64 WeakPolarHBondContact CH2-O 3.16Å; W50-P64 HydrophobicContact CZ2-CG 4.17Å; W50-C66 CarbonylContact O-C 3.59Å; W50-C66 WeakPolarHBondContact O-CA 3.42Å; W50-C66 VanDerWaalsContact O-CB 3.29Å; W50-C66 WeakPolarHBondContact O-CB 3.48Å; W50-G67 PolarHBondContact N-O 3.21Å; W50-G67 PolarHBondContact O-N 3.16Å; W50-T75 HydrophobicContact CZ2-CG2 3.65Å; W50-V77 HydrophobicContact CH2-CG2 3.72Å; W50-V77 HydrophobicContact CZ3-CG2 3.83Å; W50-Q97 CarbonylContact C-O 3.36Å; W50-Q97 WeakPolarHBondContact CA-O 3.43Å; W50-F109 VanDerWaalsContact O-CD2 3.31Å; W50-F109 WeakPolarHBondContact O-CD2 3.19Å; W50-F109 WeakPolarHBondContact O-CE2 3.36Å
51I98Very high93.9Very high15 Ų1549 Ų498%0.07726%0.257CS..EExtended strand (participates in β ladder)trans-140140.5170.1-176.2166000110.3K53 T65 C66 V96 Q97 F109 M111 L114I51-K53 HydrophobicContact CG1-CG 4.43Å; I51-T65 CarbonylContact C-O 3.58Å; I51-T65 WeakPolarHBondContact CA-O 3.17Å; I51-C66 HydrophobicContact CB-CB 4.07Å; I51-C66 HydrophobicContact CG1-CB 4.11Å; I51-V96 CarbonylContact O-C 3.57Å; I51-V96 WeakPolarHBondContact O-CA 3.4Å; I51-Q97 HydrophobicContact CG2-CB 3.8Å; I51-Q97 HydrophobicContact CG2-CG 4.35Å; I51-Q97 PolarHBondContact N-O 2.98Å; I51-Q97 PolarHBondContact O-N 3.03Å; I51-F109 HydrophobicContact CB-CE2 3.81Å; I51-F109 HydrophobicContact CB-CZ 4.05Å; I51-F109 HydrophobicContact CD1-CZ 3.98Å; I51-F109 HydrophobicContact CG2-CE2 4.33Å; I51-M111 HydrophobicContact CD1-CE 3.49Å; I51-M111 VanDerWaalsContact CD1-CE 3.49Å; I51-M111 HydrophobicContact CD1-SD 4.46Å; I51-L114 HydrophobicContact CB-CD2 4.42Å; I51-L114 HydrophobicContact CG2-CD2 3.43Å; I51-L114 VanDerWaalsContact CG2-CD2 3.43Å
52V97.4Very high93.8Very high11 Ų1147 Ų477%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-103.7125.4172.7-178.30000109.1W50 V62 T65 V77 L94 T95 V96W50-V52 HydrophobicContact CE3-CG2 3.96Å; W50-V52 HydrophobicContact CZ3-CG2 3.78Å; V52-V62 HydrophobicContact CB-CG1 4.2Å; V52-V62 HydrophobicContact CG1-CG1 3.89Å; V52-T65 PolarHBondContact N-O 2.88Å; V52-V77 HydrophobicContact CG2-CG1 4.36Å; V52-V77 HydrophobicContact CG2-CG2 4.29Å; V52-L94 HydrophobicContact CG1-CB 4.29Å; V52-L94 HydrophobicContact CG1-CD2 3.97Å; V52-T95 WeakPolarHBondContact CA-O 3.19Å; V52-V96 HydrophobicContact CG2-CG1 4.46Å; V52-V96 HydrophobicContact CG2-CG2 4.24Å
53K95.2Very high93.8Very high94 Ų9451.2 Ų51.241%0.40927%0.268SS..EExtended strand (participates in β ladder)trans-113.8147.7173.3-66.4177.9176.1166.90109I51 L94 T95I51-K53 HydrophobicContact CG1-CG 4.43Å; K53-L94 CarbonylContact O-C 3.51Å; K53-L94 WeakPolarHBondContact O-CA 3.26Å; K53-T95 PolarHBondContact N-O 3.02Å; K53-T95 PolarHBondContact O-N 2.8Å
54T93.9Very high93.9Very high40 Ų4051.7 Ų51.725%0.24527%0.271CS..EExtended strand (participates in β ladder)trans-121.1147.2175.5-179.90000109.9M56 A57T54-M56 PolarHBondContact O-N 2.85Å; T54-M56 PolarHBondContact OG1-N 2.79Å; T54-M56 VanDerWaalsContact OG1-N 3.14Å; T54-A57 HydrophobicContact CG2-CB 4.03Å
55T91.7Very high94.2Very high68 Ų6853.7 Ų53.742%0.41728%0.283SS..SBendtrans-70.4-17.6169.451.10000112.6D92 R93T55-D92 WeakPolarHBondContact OG1-CA 3.24Å; T55-R93 HydrophobicContact CG2-CG 3.57Å; T55-R93 PolarHBondContact N-O 3Å; T55-R93 VanDerWaalsContact N-O 3.16Å; T55-R93 PolarHBondContact OG1-N 3.48Å; T55-R93 VanDerWaalsContact OG1-N 3.14Å
56M86.3Confident94.4Very high54 Ų5449.5 Ų49.527%0.26626%0.264SS..  trans-137.272.9-171.5-61.5-59.2-60.900112.4T54 N58 R59 F60 D92T54-M56 PolarHBondContact O-N 2.85Å; T54-M56 PolarHBondContact OG1-N 2.79Å; T54-M56 VanDerWaalsContact OG1-N 3.14Å; M56-N58 PolarHBondContact O-N 2.85Å; M56-R59 HydrophobicContact CB-CB 4.24Å; M56-R59 HydrophobicContact CB-CG 4.49Å; M56-R59 PolarHBondContact O-N 2.79Å; M56-F60 HydrophobicContact CB-CD2 4.23Å; M56-F60 HydrophobicContact CB-CE2 4.4Å; M56-F60 PolarHBondContact O-N 2.78Å; M56-D92 VanDerWaalsContact CG-CG 3.44Å; M56-D92 WeakPolarHBondContact CG-OD1 3.41Å; M56-D92 VanDerWaalsContact CG-OD2 3.29Å; M56-D92 WeakPolarHBondContact CG-OD2 3.34Å
57A83.2Confident94.6Very high81 Ų8145.6 Ų45.667%0.66925%0.252SS*.THydrogen-bonded Turntrans-62.3-24.1-177.200000114.2T54 R59T54-A57 HydrophobicContact CG2-CB 4.03Å; A57-R59 VanDerWaalsContact C-N 3.33Å
58N88.6Confident94.7Very high121 Ų12146.5 Ų46.565%0.64726%0.261SS*.THydrogen-bonded Turntrans-77.9-15.7176.265.2-18.5000113.7M56M56-N58 PolarHBondContact O-N 2.85Å
59R91.3Very high94.7Very high31 Ų3147 Ų4712%0.11726%0.263CS..THydrogen-bonded Turntrans-102.9-28.7179.7-70.1-159.4-76.6-138-4.8113.5M56 A57 M81 L82 M90 D92M56-R59 HydrophobicContact CB-CB 4.24Å; M56-R59 HydrophobicContact CB-CG 4.49Å; M56-R59 PolarHBondContact O-N 2.79Å; A57-R59 VanDerWaalsContact C-N 3.33Å; R59-M81 CarbonylContact O-C 3.59Å; R59-M81 WeakPolarHBondContact O-CA 3.44Å; R59-L82 PolarHBondContact O-N 3.39Å; R59-M90 PolarHBondContact NH1-SD 2.9Å; R59-D92 IonicContact CZ-OD1 3.57Å; R59-D92 IonicContact CZ-OD2 3.09Å; R59-D92 IonicContact NE-OD2 3.93Å; R59-D92 PolarHBondContact NE-OD2 3.23Å; R59-D92 VanDerWaalsContact NE-OD2 3.09Å; R59-D92 IonicContact NH2-OD1 2.79Å; R59-D92 PolarHBondContact NH2-OD1 3.13Å; R59-D92 IonicContact NH2-OD2 3.15Å; R59-D92 PolarHBondContact NH2-OD2 3.28Å
60F94.5Very high94.7Very high8 Ų851 Ų514%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-116.8124-175.5-64.3-74.7000110.9F26 M56 V62 I79 A80 M81 D92 I127 Y129F26-F60 HydrophobicContact CD2-CE1 4.16Å; F26-F60 HydrophobicContact CE2-CD1 4.4Å; F26-F60 AromaticContact CE2-CE1 3.52Å; F26-F60 HydrophobicContact CE2-CE1 3.52Å; F26-F60 HydrophobicContact CE2-CZ 4.27Å; F26-F60 HydrophobicContact CZ-CD1 4.48Å; F26-F60 AromaticContact CZ-CE1 3.95Å; F26-F60 HydrophobicContact CZ-CE1 3.95Å; M56-F60 HydrophobicContact CB-CD2 4.23Å; M56-F60 HydrophobicContact CB-CE2 4.4Å; M56-F60 PolarHBondContact O-N 2.78Å; F60-V62 HydrophobicContact CB-CG2 4.23Å; F60-I79 HydrophobicContact CD1-CG2 3.97Å; F60-A80 WeakPolarHBondContact CA-O 3.42Å; F60-M81 HydrophobicContact CD1-CB 3.97Å; F60-M81 HydrophobicContact CD1-CG 4.17Å; F60-M81 HydrophobicContact CE1-CB 3.67Å; F60-M81 HydrophobicContact CE1-CG 3.59Å; F60-M81 HydrophobicContact CE1-SD 4.13Å; F60-M81 HydrophobicContact CZ-CG 4.15Å; F60-M81 HydrophobicContact CZ-SD 4.37Å; F60-D92 HydrophobicContact CE2-CB 4.27Å; F60-D92 WeakPolarHBondContact CE2-OD2 3.34Å; F60-I127 HydrophobicContact CE2-CG1 4.42Å; F60-I127 HydrophobicContact CZ-CG1 4.13Å; F60-I127 HydrophobicContact CZ-CG2 3.95Å; F60-Y129 WeakPolarHBondContact CZ-OH 3.5Å
61Y95Very high94.6Very high141 Ų14153.1 Ų53.155%0.55330%0.296SS*.EExtended strand (participates in β ladder)trans-89.2124.6160.4-177.2-95.3000108.5Q63 I79 A80Y61-Q63 HydrophobicContact CD1-CB 4.46Å; Y61-Q63 HydrophobicContact CE1-CB 3.66Å; Y61-Q63 HydrophobicContact CE1-CG 4.47Å; Y61-I79 CarbonylContact O-C 3.57Å; Y61-I79 WeakPolarHBondContact O-CA 3.46Å; Y61-A80 PolarHBondContact N-O 3.47Å; Y61-A80 PolarHBondContact O-N 2.83Å
62V96.4Very high94.5Very high15 Ų1557.7 Ų57.79%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-125.3125.6-177.3-178.20000108.4V52 F60 T65 V77 N78 I79 L94V52-V62 HydrophobicContact CB-CG1 4.2Å; V52-V62 HydrophobicContact CG1-CG1 3.89Å; F60-V62 HydrophobicContact CB-CG2 4.23Å; V62-T65 VanDerWaalsContact O-CG2 3.24Å; V62-T65 WeakPolarHBondContact O-CG2 3.39Å; V62-V77 HydrophobicContact CG1-CG1 3.41Å; V62-V77 VanDerWaalsContact CG1-CG1 3.41Å; V62-N78 WeakPolarHBondContact CA-O 3.39Å; V62-I79 HydrophobicContact CG2-CG1 4.5Å; V62-L94 HydrophobicContact CG2-CD2 3.96Å
63Q96.6Very high94.5Very high88 Ų8858.6 Ų58.641%0.41133%0.325SS..EExtended strand (participates in β ladder)trans-151.3131.5-179.2-174.163.76.300112.5Y61 N78Y61-Q63 HydrophobicContact CD1-CB 4.46Å; Y61-Q63 HydrophobicContact CE1-CB 3.66Å; Y61-Q63 HydrophobicContact CE1-CG 4.47Å; Q63-N78 PolarHBondContact N-O 2.77Å; Q63-N78 WeakPolarHBondContact O-CB 3.37Å; Q63-N78 PolarHBondContact O-N 2.83Å
64P97.6Very high94.7Very high38 Ų3856.2 Ų56.225%0.24732%0.319CS..SBendcis-66.4149.6-8.918.3-19.4000112.7W50 N76W50-P64 HydrophobicContact CH2-CB 3.95Å; W50-P64 HydrophobicContact CH2-CG 3.8Å; W50-P64 WeakPolarHBondContact CH2-O 3.16Å; W50-P64 HydrophobicContact CZ2-CG 4.17Å; P64-N76 WeakPolarHBondContact CD-O 3.25Å
65T97Very high94.9Very high67 Ų6756.2 Ų56.241%0.41132%0.32SS..  trans-80.8-27.317654.30000112.5I51 V52 V62I51-T65 CarbonylContact C-O 3.58Å; I51-T65 WeakPolarHBondContact CA-O 3.17Å; V52-T65 PolarHBondContact N-O 2.88Å; V62-T65 VanDerWaalsContact O-CG2 3.24Å; V62-T65 WeakPolarHBondContact O-CG2 3.39Å
66C98.2Very high95.2Very high43 Ų4357 Ų5729%0.29132%0.321SS..EExtended strand (participates in β ladder)trans-151.6167.1179.4600000111W50 I51 F109W50-C66 CarbonylContact O-C 3.59Å; W50-C66 WeakPolarHBondContact O-CA 3.42Å; W50-C66 VanDerWaalsContact O-CB 3.29Å; W50-C66 WeakPolarHBondContact O-CB 3.48Å; I51-C66 HydrophobicContact CB-CB 4.07Å; I51-C66 HydrophobicContact CG1-CB 4.11Å; C66-F109 HydrophobicContact CB-CD1 3.94Å; C66-F109 HydrophobicContact CB-CD2 3.76Å; C66-F109 HydrophobicContact CB-CE1 4.04Å; C66-F109 HydrophobicContact CB-CE2 3.88Å; C66-F109 HydrophobicContact CB-CG 3.8Å; C66-F109 HydrophobicContact CB-CZ 4.02Å
67G98Very high95.8Very high18 Ų1854.4 Ų54.419%0.18631%0.309CS..EExtended strand (participates in β ladder)trans176.1-171.7175.900000113.1M49 W50M49-G67 WeakPolarHBondContact CA-O 3.5Å; W50-G67 PolarHBondContact N-O 3.21Å; W50-G67 PolarHBondContact O-N 3.16Å
68A97.7Very high96.4Very high38 Ų3855.1 Ų55.131%0.31430%0.301SS..EExtended strand (participates in β ladder)trans-120.4152.1170.100000109.9I48 I101 K107I48-A68 CarbonylContact O-C 3.59Å; I48-A68 VanDerWaalsContact O-CA 3.31Å; I48-A68 WeakPolarHBondContact O-CA 3.4Å; A68-I101 HydrophobicContact CB-CD1 3.93Å; A68-K107 WeakPolarHBondContact CB-O 3.27Å
69L97.6Very high96.8Very high10 Ų1049.5 Ų49.55%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-129.4127174.8-75.9173.6000109L16 L40 N42 P47 I48 A73 T75L16-L69 HydrophobicContact CD1-CD1 4.05Å; L40-L69 HydrophobicContact CB-CD1 4.2Å; N42-L69 HydrophobicContact CB-CB 3.92Å; N42-L69 HydrophobicContact CB-CD1 4.24Å; N42-L69 PolarHBondContact ND2-O 3.29Å; P47-L69 VanDerWaalsContact CA-O 3.3Å; P47-L69 WeakPolarHBondContact CA-O 3.29Å; I48-L69 HydrophobicContact CD1-CD1 4.44Å; I48-L69 HydrophobicContact CG1-CB 3.96Å; I48-L69 PolarHBondContact N-O 3Å; I48-L69 PolarHBondContact O-N 3Å; L69-A73 HydrophobicContact CD2-CB 4.14Å; L69-T75 HydrophobicContact CD1-CG2 4.18Å; L69-T75 HydrophobicContact CD2-CG2 3.87Å; L69-T75 HydrophobicContact CG-CG2 4.26Å
70E97.2Very high97Very high86 Ų8648.5 Ų48.540%0.40227%0.27SS..  trans-62.5161.7167.9-69.8-70.1-177.400111.1N42 K72 A73 K107N42-E70 PolarHBondContact ND2-O 3.45Å; E70-K72 PolarHBondContact O-N 2.91Å; E70-A73 HydrophobicContact CB-CB 4.16Å; E70-A73 VanDerWaalsContact O-CB 3.25Å; E70-A73 WeakPolarHBondContact O-CB 3.19Å; E70-A73 PolarHBondContact O-N 2.62Å; E70-A73 VanDerWaalsContact O-N 3.11Å; E70-K107 WeakPolarHBondContact OE1-CD 3.5Å; E70-K107 IonicContact OE1-NZ 2.83Å; E70-K107 PolarHBondContact OE1-NZ 2.76Å; E70-K107 IonicContact OE2-NZ 2.77Å; E70-K107 PolarHBondContact OE2-NZ 2.84Å
71P96Very high97.1Very high49 Ų4948.1 Ų48.132%0.31827%0.268SS..THydrogen-bonded Turntrans-47.9134.9171.3-27.334.6000111.9D45 A73D45-P71 WeakPolarHBondContact O-CG 3.31Å; P71-A73 PolarHBondContact O-N 2.87Å
72K95.6Very high97.1Very high110 Ų11044 Ų4448%0.47826%0.255SS..THydrogen-bonded Turntrans60.76.7179.2-45.3-55.1176.1-1750115.8H41 N42 V43 C44 D45 E70H41-K72 PolarHBondContact CE1-O 2.96Å; N42-K72 WeakPolarHBondContact O-CA 3.4Å; N42-K72 PolarHBondContact O-N 3.33Å; V43-K72 PolarHBondContact O-NZ 2.93Å; C44-K72 WeakPolarHBondContact O-CE 3.46Å; C44-K72 PolarHBondContact O-N 2.91Å; D45-K72 WeakPolarHBondContact OD1-CE 3.44Å; D45-K72 IonicContact OD1-NZ 2.71Å; D45-K72 PolarHBondContact OD1-NZ 3.16Å; E70-K72 PolarHBondContact O-N 2.91Å
73A97.8Very high97.1Very high31 Ų3146.8 Ų46.826%0.25627%0.274SS..  trans-80.6164.8178.200000112.3H41 N42 L69 E70 P71H41-A73 PolarHBondContact ND1-O 2.98Å; H41-A73 VanDerWaalsContact ND1-O 3.16Å; N42-A73 PolarHBondContact N-O 2.84Å; L69-A73 HydrophobicContact CD2-CB 4.14Å; E70-A73 HydrophobicContact CB-CB 4.16Å; E70-A73 VanDerWaalsContact O-CB 3.25Å; E70-A73 WeakPolarHBondContact O-CB 3.19Å; E70-A73 PolarHBondContact O-N 2.62Å; E70-A73 VanDerWaalsContact O-N 3.11Å; P71-A73 PolarHBondContact O-N 2.87Å
74S98Very high96.9Very high43 Ų4344.2 Ų44.230%0.30126%0.261SS..EExtended strand (participates in β ladder)trans-132.7157.1171.2-62.40000111.4L40 H41L40-S74 CarbonylContact O-C 3.53Å; L40-S74 WeakPolarHBondContact O-CA 3.18Å; L40-S74 WeakPolarHBondContact O-CB 3.26Å; H41-S74 PolarHBondContact ND1-OG 2.86Å
75T98.4Very high96.7Very high41 Ų4148.2 Ų48.225%0.25229%0.285SS..EExtended strand (participates in β ladder)trans-139.9155.9167.8-170.70000110.8R39 L40 W50 L69R39-T75 CarbonylContact C-O 3.52Å; R39-T75 WeakPolarHBondContact CA-O 3.12Å; L40-T75 HydrophobicContact CB-CG2 4.14Å; L40-T75 HydrophobicContact CD1-CG2 4.37Å; L40-T75 HydrophobicContact CG-CG2 4.5Å; L40-T75 PolarHBondContact N-O 3.16Å; L40-T75 PolarHBondContact O-N 2.94Å; W50-T75 HydrophobicContact CZ2-CG2 3.65Å; L69-T75 HydrophobicContact CD1-CG2 4.18Å; L69-T75 HydrophobicContact CD2-CG2 3.87Å; L69-T75 HydrophobicContact CG-CG2 4.26Å
76N98.3Very high96.4Very high84 Ų8448.1 Ų48.145%0.44928%0.277SS..EExtended strand (participates in β ladder)trans-103123.8176.7-74.9-12.5000109.8R39 P64R39-N76 WeakPolarHBondContact CG-OD1 3.39Å; P64-N76 WeakPolarHBondContact CD-O 3.25Å
77V98.1Very high96Very high0 Ų053 Ų530%029%0.293CS..EExtended strand (participates in β ladder)trans-97.2109.2169.7178.20000108.2C37 L38 L40 W50 V52 V62 I79C37-V77 WeakPolarHBondContact CA-O 3.33Å; L38-V77 HydrophobicContact CB-CB 4.27Å; L38-V77 PolarHBondContact N-O 3.37Å; L38-V77 WeakPolarHBondContact O-CA 3.39Å; L38-V77 WeakPolarHBondContact O-CB 3.28Å; L38-V77 PolarHBondContact O-N 2.98Å; L40-V77 HydrophobicContact CD1-CG2 3.82Å; L40-V77 HydrophobicContact CG-CG2 4.06Å; W50-V77 HydrophobicContact CH2-CG2 3.72Å; W50-V77 HydrophobicContact CZ3-CG2 3.83Å; V52-V77 HydrophobicContact CG2-CG1 4.36Å; V52-V77 HydrophobicContact CG2-CG2 4.29Å; V62-V77 HydrophobicContact CG1-CG1 3.41Å; V62-V77 VanDerWaalsContact CG1-CG1 3.41Å; V77-I79 HydrophobicContact CG1-CG1 4.34Å
78N97.5Very high95.5Very high96 Ų9657.7 Ų57.751%0.51332%0.321SS..EExtended strand (participates in β ladder)trans-76.3132.4175.5-61.7-67.5000109.7V62 Q63V62-N78 WeakPolarHBondContact CA-O 3.39Å; Q63-N78 PolarHBondContact N-O 2.77Å; Q63-N78 WeakPolarHBondContact O-CB 3.37Å; Q63-N78 PolarHBondContact O-N 2.83Å
79I96.7Very high95.1Very high2 Ų259.6 Ų59.61%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-123.8124.2-179.6-58.9155.2000107.2I24 F26 K35 S36 L38 F60 Y61 V62 V77 L94I24-I79 HydrophobicContact CD1-CD1 3.57Å; F26-I79 HydrophobicContact CZ-CG2 4.12Å; K35-I79 CarbonylContact C-O 3.6Å; K35-I79 WeakPolarHBondContact CA-O 3.43Å; S36-I79 PolarHBondContact N-O 2.89Å; S36-I79 PolarHBondContact O-N 2.87Å; S36-I79 VanDerWaalsContact O-O 3.08Å; L38-I79 HydrophobicContact CB-CD1 3.67Å; F60-I79 HydrophobicContact CD1-CG2 3.97Å; Y61-I79 CarbonylContact O-C 3.57Å; Y61-I79 WeakPolarHBondContact O-CA 3.46Å; V62-I79 HydrophobicContact CG2-CG1 4.5Å; V77-I79 HydrophobicContact CG1-CG1 4.34Å; I79-L94 HydrophobicContact CD1-CD1 3.3Å; I79-L94 HydrophobicContact CG1-CD1 3.89Å; I79-L94 HydrophobicContact CG2-CD1 4.39Å
80A95.9Very high94.7Very high11 Ų1160.9 Ų60.99%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-116.9119.9170.700000109.5R33 Q34 F60 Y61R33-A80 HydrophobicContact CG-CB 4.25Å; Q34-A80 CarbonylContact O-C 3.58Å; Q34-A80 VanDerWaalsContact O-CA 3.29Å; Q34-A80 WeakPolarHBondContact O-CA 3.25Å; F60-A80 WeakPolarHBondContact CA-O 3.42Å; Y61-A80 PolarHBondContact N-O 3.47Å; Y61-A80 PolarHBondContact O-N 2.83Å
81M96.1Very high94.4Very high0 Ų062.6 Ų62.60%036%0.362CS..EExtended strand (participates in β ladder)trans-81.6125.7167.8-170.8-179.276.300108.8F26 F30 R33 Q34 R59 F60 F84 Y129F26-M81 HydrophobicContact CB-CE 3.88Å; F26-M81 HydrophobicContact CB-SD 3.8Å; F26-M81 HydrophobicContact CD1-CB 3.93Å; F26-M81 HydrophobicContact CD1-CE 4.11Å; F26-M81 HydrophobicContact CD1-SD 4Å; F26-M81 HydrophobicContact CD2-SD 3.85Å; F26-M81 HydrophobicContact CE1-CB 3.68Å; F26-M81 HydrophobicContact CE2-CB 4.35Å; F26-M81 HydrophobicContact CE2-SD 4.45Å; F26-M81 HydrophobicContact CG-CB 4.36Å; F26-M81 HydrophobicContact CG-CE 4.05Å; F26-M81 HydrophobicContact CG-SD 3.6Å; F26-M81 VanDerWaalsContact CG-SD 3.6Å; F26-M81 HydrophobicContact CZ-CB 3.91Å; F30-M81 HydrophobicContact CB-CE 4.3Å; F30-M81 HydrophobicContact CD1-CE 3.75Å; F30-M81 HydrophobicContact CG-CE 4.4Å; R33-M81 VanDerWaalsContact CA-O 3.27Å; R33-M81 WeakPolarHBondContact CA-O 3.3Å; Q34-M81 HydrophobicContact CB-CE 4.3Å; Q34-M81 HydrophobicContact CG-CE 4.26Å; Q34-M81 PolarHBondContact N-O 3.42Å; Q34-M81 PolarHBondContact O-N 3.44Å; R59-M81 CarbonylContact O-C 3.59Å; R59-M81 WeakPolarHBondContact O-CA 3.44Å; F60-M81 HydrophobicContact CD1-CB 3.97Å; F60-M81 HydrophobicContact CD1-CG 4.17Å; F60-M81 HydrophobicContact CE1-CB 3.67Å; F60-M81 HydrophobicContact CE1-CG 3.59Å; F60-M81 HydrophobicContact CE1-SD 4.13Å; F60-M81 HydrophobicContact CZ-CG 4.15Å; F60-M81 HydrophobicContact CZ-SD 4.37Å; M81-F84 HydrophobicContact CE-CD1 4.44Å; M81-F84 HydrophobicContact CE-CE1 3.95Å; M81-F84 HydrophobicContact CG-CD1 4.44Å; M81-F84 HydrophobicContact CG-CE1 4.35Å; M81-F84 HydrophobicContact SD-CD1 4.26Å; M81-F84 HydrophobicContact SD-CE1 3.63Å; M81-Y129 HydrophobicContact SD-CD1 4.36Å; M81-Y129 HydrophobicContact SD-CE1 3.68Å
82L95.6Very high94.4Very high54 Ų5460.7 Ų60.728%0.28335%0.349SS..PPolyproline II helixtrans-81.2154.1174-59.6-179.7000110.4R59 F84R59-L82 PolarHBondContact O-N 3.39Å; L82-F84 PolarHBondContact O-N 2.79Å
83P94.9Very high94.4Very high74 Ų7460.9 Ų60.948%0.48135%0.347SS..PPolyproline II helixtrans-52.5135.7174.7-26.434.4000112.2F30 A31F30-P83 VanDerWaalsContact O-CA 3.31Å; F30-P83 WeakPolarHBondContact O-CA 2.98Å; A31-P83 WeakPolarHBondContact O-CB 3.4Å
84F93.6Very high94.3Very high34 Ų3459.4 Ų59.415%0.14934%0.335CS..  trans-157.5160.2177.380.4-72.3000112F30 M81 L82 Y86 M90 Y129F30-F84 HydrophobicContact CB-CD1 4.08Å; F30-F84 HydrophobicContact CB-CE1 3.76Å; F30-F84 HydrophobicContact CB-CZ 4.43Å; F30-F84 HydrophobicContact CD1-CE1 4.47Å; F30-F84 HydrophobicContact CD2-CE1 4.49Å; F30-F84 HydrophobicContact CD2-CZ 4.41Å; F30-F84 AromaticContact CG-CE1 3.99Å; F30-F84 HydrophobicContact CG-CE1 3.99Å; F30-F84 HydrophobicContact CG-CZ 4.35Å; F30-F84 PolarHBondContact O-N 3.42Å; M81-F84 HydrophobicContact CE-CD1 4.44Å; M81-F84 HydrophobicContact CE-CE1 3.95Å; M81-F84 HydrophobicContact CG-CD1 4.44Å; M81-F84 HydrophobicContact CG-CE1 4.35Å; M81-F84 HydrophobicContact SD-CD1 4.26Å; M81-F84 HydrophobicContact SD-CE1 3.63Å; L82-F84 PolarHBondContact O-N 2.79Å; F84-Y86 HydrophobicContact CE2-CD2 4.38Å; F84-Y86 HydrophobicContact CZ-CD2 4.28Å; F84-M90 HydrophobicContact CD2-CE 4.42Å; F84-M90 HydrophobicContact CE2-CE 3.4Å; F84-M90 VanDerWaalsContact CE2-CE 3.4Å; F84-M90 HydrophobicContact CE2-SD 3.7Å; F84-M90 HydrophobicContact CZ-CE 3.77Å; F84-Y129 HydrophobicContact CE1-CD1 4.31Å; F84-Y129 AromaticContact CE1-CE1 3.77Å; F84-Y129 HydrophobicContact CE1-CE1 3.77Å; F84-Y129 AromaticContact CZ-CD1 3.88Å; F84-Y129 HydrophobicContact CZ-CD1 3.88Å; F84-Y129 AromaticContact CZ-CE1 3.42Å; F84-Y129 HydrophobicContact CZ-CE1 3.42Å; F84-Y129 VanDerWaalsContact CZ-CE1 3.42Å; F84-Y129 AromaticContact CZ-CZ 3.95Å
85T92.4Very high94.2Very high121 Ų12158.8 Ų58.874%0.74233%0.329SS*.  trans-84.2115.2171.4-53.30000109.8
86Y90.9Very high94.2Very high66 Ų6656.9 Ų56.926%0.25932%0.318SS..  trans-64.7143.1175.7176.7-89.4000112.3F30 F84 P88 M90 Y129 F131F30-Y86 HydrophobicContact CD2-CG 4.42Å; F30-Y86 HydrophobicContact CE2-CD2 4.15Å; F30-Y86 HydrophobicContact CE2-CG 4.18Å; F84-Y86 HydrophobicContact CE2-CD2 4.38Å; F84-Y86 HydrophobicContact CZ-CD2 4.28Å; Y86-P88 HydrophobicContact CE1-CB 4.42Å; Y86-P88 HydrophobicContact CE1-CG 4.13Å; Y86-P88 VanDerWaalsContact CE1-N 3.33Å; Y86-M90 HydrophobicContact CD2-CE 4.32Å; Y86-M90 HydrophobicContact CD2-SD 4.11Å; Y86-M90 HydrophobicContact CE2-SD 4.44Å; Y86-Y129 HydrophobicContact CD2-CD1 4.45Å; Y86-Y129 HydrophobicContact CD2-CD2 4.23Å; Y86-Y129 AromaticContact CD2-CG 3.99Å; Y86-Y129 HydrophobicContact CD2-CG 3.99Å; Y86-Y129 AromaticContact CE2-CD2 3.81Å; Y86-Y129 HydrophobicContact CE2-CD2 3.81Å; Y86-Y129 AromaticContact CE2-CG 3.85Å; Y86-Y129 HydrophobicContact CE2-CG 3.85Å; Y86-F131 AromaticContact CD1-CE1 3.92Å; Y86-F131 HydrophobicContact CD1-CE1 3.92Å; Y86-F131 HydrophobicContact CD1-CE2 4.2Å; Y86-F131 AromaticContact CD1-CZ 3.25Å; Y86-F131 HydrophobicContact CD1-CZ 3.25Å; Y86-F131 HydrophobicContact CD2-CE2 4.5Å; Y86-F131 AromaticContact CD2-CZ 3.81Å; Y86-F131 HydrophobicContact CD2-CZ 3.81Å; Y86-F131 HydrophobicContact CE1-CE1 4.26Å; Y86-F131 AromaticContact CE1-CE2 3.76Å; Y86-F131 HydrophobicContact CE1-CE2 3.76Å; Y86-F131 AromaticContact CE1-CZ 3.26Å; Y86-F131 HydrophobicContact CE1-CZ 3.26Å; Y86-F131 HydrophobicContact CE2-CE2 4.11Å; Y86-F131 AromaticContact CE2-CZ 3.84Å; Y86-F131 HydrophobicContact CE2-CZ 3.84Å; Y86-F131 HydrophobicContact CG-CE1 4.18Å; Y86-F131 AromaticContact CG-CZ 3.51Å; Y86-F131 HydrophobicContact CG-CZ 3.51Å; Y86-F131 AromaticContact CZ-CE2 3.7Å; Y86-F131 AromaticContact CZ-CZ 3.56Å
87K89.5Confident94.1Very high144 Ų14454 Ų5463%0.62630%0.302SS*.  trans-126.2131.9170.3-64.5-176.1-179.7-177.90109.1M90K87-M90 HydrophobicContact CB-SD 4.36Å; K87-M90 VanDerWaalsContact O-CG 3.24Å; K87-M90 WeakPolarHBondContact O-CG 3.42Å
88P88.3Confident94Very high118 Ų11854.3 Ų54.377%0.76630%0.303SS*.THydrogen-bonded Turntrans-52.7144.3172.4-26.434.9000111.9Y86Y86-P88 HydrophobicContact CE1-CB 4.42Å; Y86-P88 HydrophobicContact CE1-CG 4.13Å; Y86-P88 VanDerWaalsContact CE1-N 3.33Å
89G88.5Confident93.9Very high77 Ų7749.8 Ų49.879%0.79428%0.279SS*.THydrogen-bonded Turntrans86.24.8178.600000115.7N91G89-N91 PolarHBondContact O-N 2.75Å
90M89.8Confident93.8Very high38 Ų3851.5 Ų51.519%0.18729%0.29CS..  trans-61.8133.1171.8-78.8174.138.400112.1R59 F84 Y86 K87 Y129R59-M90 PolarHBondContact NH1-SD 2.9Å; F84-M90 HydrophobicContact CD2-CE 4.42Å; F84-M90 HydrophobicContact CE2-CE 3.4Å; F84-M90 VanDerWaalsContact CE2-CE 3.4Å; F84-M90 HydrophobicContact CE2-SD 3.7Å; F84-M90 HydrophobicContact CZ-CE 3.77Å; Y86-M90 HydrophobicContact CD2-CE 4.32Å; Y86-M90 HydrophobicContact CD2-SD 4.11Å; Y86-M90 HydrophobicContact CE2-SD 4.44Å; K87-M90 HydrophobicContact CB-SD 4.36Å; K87-M90 VanDerWaalsContact O-CG 3.24Å; K87-M90 WeakPolarHBondContact O-CG 3.42Å; M90-Y129 HydrophobicContact CB-CE2 4.38Å; M90-Y129 HydrophobicContact CE-CD2 4.16Å; M90-Y129 HydrophobicContact CE-CE1 4.22Å; M90-Y129 HydrophobicContact CE-CE2 3.38Å; M90-Y129 VanDerWaalsContact CE-CZ 3.4Å; M90-Y129 WeakPolarHBondContact CE-OH 3.21Å
91N91.8Very high93.8Very high122 Ų12251.2 Ų51.265%0.65229%0.287SS*.  trans-127.456.5-179.3-171.717.5000110.5G89G89-N91 PolarHBondContact O-N 2.75Å
92D94.4Very high93.6Very high8 Ų853.7 Ų53.74%0.04330%0.303CS..  trans-71.7144.6-178.6-7612.1000110.7T55 M56 R59 F60 I127 Y129T55-D92 WeakPolarHBondContact OG1-CA 3.24Å; M56-D92 VanDerWaalsContact CG-CG 3.44Å; M56-D92 WeakPolarHBondContact CG-OD1 3.41Å; M56-D92 VanDerWaalsContact CG-OD2 3.29Å; M56-D92 WeakPolarHBondContact CG-OD2 3.34Å; R59-D92 IonicContact CZ-OD1 3.57Å; R59-D92 IonicContact CZ-OD2 3.09Å; R59-D92 IonicContact NE-OD2 3.93Å; R59-D92 PolarHBondContact NE-OD2 3.23Å; R59-D92 VanDerWaalsContact NE-OD2 3.09Å; R59-D92 IonicContact NH2-OD1 2.79Å; R59-D92 PolarHBondContact NH2-OD1 3.13Å; R59-D92 IonicContact NH2-OD2 3.15Å; R59-D92 PolarHBondContact NH2-OD2 3.28Å; F60-D92 HydrophobicContact CE2-CB 4.27Å; F60-D92 WeakPolarHBondContact CE2-OD2 3.34Å; D92-I127 HydrophobicContact CB-CB 3.92Å; D92-I127 HydrophobicContact CB-CG1 4.09Å; D92-I127 PolarHBondContact O-N 3.21Å; D92-Y129 HydrophobicContact CB-CE2 4.38Å; D92-Y129 PolarHBondContact OD2-OH 3.05Å
93R95.7Very high93.5Very high114 Ų11457.5 Ų57.543%0.4332%0.323SS..EExtended strand (participates in β ladder)trans-149.3150.6176.758.9-175.8163.2-167.6-5.2112.1T55 I125T55-R93 HydrophobicContact CG2-CG 3.57Å; T55-R93 PolarHBondContact N-O 3Å; T55-R93 VanDerWaalsContact N-O 3.16Å; T55-R93 PolarHBondContact OG1-N 3.48Å; T55-R93 VanDerWaalsContact OG1-N 3.14Å; R93-I125 WeakPolarHBondContact CA-O 3.29Å
94L96.2Very high93.4Very high0 Ų058.3 Ų58.30%035%0.345CS..EExtended strand (participates in β ladder)trans-95.6137.4159.7-66.9174.8000108.8I24 V52 K53 V62 I79 A124 I125 I127I24-L94 HydrophobicContact CD1-CD1 3.76Å; V52-L94 HydrophobicContact CG1-CB 4.29Å; V52-L94 HydrophobicContact CG1-CD2 3.97Å; K53-L94 CarbonylContact O-C 3.51Å; K53-L94 WeakPolarHBondContact O-CA 3.26Å; V62-L94 HydrophobicContact CG2-CD2 3.96Å; I79-L94 HydrophobicContact CD1-CD1 3.3Å; I79-L94 HydrophobicContact CG1-CD1 3.89Å; I79-L94 HydrophobicContact CG2-CD1 4.39Å; L94-A124 CarbonylContact O-C 3.51Å; L94-I125 PolarHBondContact N-O 3.42Å; L94-I125 PolarHBondContact O-N 3.16Å; L94-I127 HydrophobicContact CD1-CD1 4.38Å; L94-I127 HydrophobicContact CG-CD1 4.25Å
95T96.4Very high93.4Very high31 Ų3159 Ų5919%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-118.1117.8174.4-57.90000108.3V52 K53 Q97 K123V52-T95 WeakPolarHBondContact CA-O 3.19Å; K53-T95 PolarHBondContact N-O 3.02Å; K53-T95 PolarHBondContact O-N 2.8Å; T95-Q97 HydrophobicContact CG2-CG 4.28Å; T95-K123 CarbonylContact C-O 3.59Å; T95-K123 WeakPolarHBondContact CA-O 3.33Å
96V96.9Very high93.5Very high1 Ų159.5 Ų59.51%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-89.8123.8170.1-165.80000107.8L16 L38 L40 I51 V52 R122 K123 I125L16-V96 HydrophobicContact CD2-CB 4.48Å; L16-V96 HydrophobicContact CD2-CG1 3.51Å; L38-V96 HydrophobicContact CD2-CG2 3.98Å; L40-V96 HydrophobicContact CD1-CG1 4.23Å; L40-V96 HydrophobicContact CD2-CG1 4.22Å; L40-V96 HydrophobicContact CD2-CG2 4.06Å; I51-V96 CarbonylContact O-C 3.57Å; I51-V96 WeakPolarHBondContact O-CA 3.4Å; V52-V96 HydrophobicContact CG2-CG1 4.46Å; V52-V96 HydrophobicContact CG2-CG2 4.24Å; V96-R122 CarbonylContact O-C 3.54Å; V96-R122 WeakPolarHBondContact O-CA 3.29Å; V96-K123 PolarHBondContact N-O 2.68Å; V96-K123 PolarHBondContact O-N 2.89Å; V96-I125 HydrophobicContact CG2-CD1 4.27Å
97Q96.3Very high93.6Very high24 Ų2462 Ų6211%0.11236%0.363CS..EExtended strand (participates in β ladder)trans-107.1139168.6-51.1-171.6-53.200108.4W50 I51 T95 V120 K121 R122W50-Q97 CarbonylContact C-O 3.36Å; W50-Q97 WeakPolarHBondContact CA-O 3.43Å; I51-Q97 HydrophobicContact CG2-CB 3.8Å; I51-Q97 HydrophobicContact CG2-CG 4.35Å; I51-Q97 PolarHBondContact N-O 2.98Å; I51-Q97 PolarHBondContact O-N 3.03Å; T95-Q97 HydrophobicContact CG2-CG 4.28Å; Q97-V120 HydrophobicContact CB-CG1 3.98Å; Q97-K121 VanDerWaalsContact CA-O 3.28Å; Q97-K121 WeakPolarHBondContact CA-O 3.45Å; Q97-R122 HydrophobicContact CG-CG 4.18Å
98S96.4Very high93.9Very high5 Ų560 Ų604%0.03536%0.355CS..EExtended strand (participates in β ladder)trans-146.9155.1177.559.30000111.8M49 K121M49-S98 WeakPolarHBondContact O-CA 3.4Å; M49-S98 WeakPolarHBondContact O-CB 3.37Å; S98-K121 PolarHBondContact N-O 3.04Å; S98-K121 PolarHBondContact O-N 3.27Å
99C95.5Very high94.4Very high1 Ų156.6 Ų56.61%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-151.8160.1166.768.30000109.9I48 M49 L114 I119I48-C99 WeakPolarHBondContact CA-O 3.22Å; I48-C99 WeakPolarHBondContact CB-O 3.47Å; M49-C99 WeakPolarHBondContact CE-SG 3.37Å; M49-C99 PolarHBondContact N-O 3.27Å; M49-C99 PolarHBondContact O-N 2.91Å; M49-C99 VanDerWaalsContact O-N 3.16Å; C99-L114 HydrophobicContact CB-CD1 4.49Å; C99-I119 VanDerWaalsContact CB-O 3.22Å; C99-I119 WeakPolarHBondContact CB-O 3.49Å
100V95.3Very high94.8Very high38 Ų3856.2 Ų56.223%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-63.9137.7173.7175.10000110.1K46 I48K46-V100 HydrophobicContact CB-CG1 3.82Å; K46-V100 HydrophobicContact CD-CG1 3.7Å; K46-V100 HydrophobicContact CG-CG1 4.41Å; I48-V100 HydrophobicContact CG2-CG2 4.35Å
101I95.4Very high95.1Very high5 Ų557.8 Ų57.83%0.02632%0.315CS..PPolyproline II helixtrans-82125.5169.9-59.2178000107.5P47 M49 A68 A105P47-I101 HydrophobicContact CB-CB 4.38Å; P47-I101 HydrophobicContact CB-CD1 4.36Å; P47-I101 HydrophobicContact CG-CB 4.17Å; P47-I101 PolarHBondContact O-N 2.9Å; M49-I101 HydrophobicContact CB-CD1 4.03Å; M49-I101 HydrophobicContact CB-CG1 3.99Å; M49-I101 HydrophobicContact CG-CG1 4.2Å; A68-I101 HydrophobicContact CB-CD1 3.93Å; I101-A105 HydrophobicContact CG2-CB 3.91Å
102P92.9Very high95.2Very high52 Ų5256.6 Ų56.634%0.33831%0.309SS..PPolyproline II helixtrans-59.4151.5179.4-26.135.2000113.3G104 A105 Y113P102-G104 PolarHBondContact O-N 2.82Å; P102-A105 HydrophobicContact CB-CB 4.4Å; P102-A105 WeakPolarHBondContact O-CB 3.32Å; P102-A105 PolarHBondContact O-N 2.95Å; P102-A105 VanDerWaalsContact O-N 3.16Å; P102-Y113 VanDerWaalsContact CD-CE1 3.49Å; P102-Y113 HydrophobicContact CG-CE1 3.86Å; P102-Y113 HydrophobicContact CG-CE2 4.01Å; P102-Y113 VanDerWaalsContact CG-CZ 3.42Å; P102-Y113 WeakPolarHBondContact CG-OH 3.42Å
103D92.6Very high95.3Very high134 Ų13460.1 Ų60.172%0.71732%0.323SS*.THydrogen-bonded Turntrans-60.7133.2173.7-61.5-37.4000110.2A105D103-A105 VanDerWaalsContact C-N 3.3Å; D103-A105 PolarHBondContact O-N 2.73Å
104G92.7Very high95.2Very high91 Ų9155.1 Ų55.194%0.93830%0.304SS*.THydrogen-bonded Turntrans83.6-10.3-177.400000115.6P102P102-G104 PolarHBondContact O-N 2.82Å
105A93.5Very high95.1Very high49 Ų4962 Ų6241%0.40534%0.336SS..SBendtrans-75.7156.8171.200000111.6I101 P102 D103 K107I101-A105 HydrophobicContact CG2-CB 3.91Å; P102-A105 HydrophobicContact CB-CB 4.4Å; P102-A105 WeakPolarHBondContact O-CB 3.32Å; P102-A105 PolarHBondContact O-N 2.95Å; P102-A105 VanDerWaalsContact O-N 3.16Å; D103-A105 VanDerWaalsContact C-N 3.3Å; D103-A105 PolarHBondContact O-N 2.73Å; A105-K107 PolarHBondContact O-N 3.4Å
106E93.9Very high94.9Very high132 Ų13268.4 Ų68.462%0.61736%0.361SS*.  trans-66.9132.5173.3-168179.4164.600110K108E106-K108 HydrophobicContact CB-CG 4.24Å; E106-K108 VanDerWaalsContact CD-CD 3.48Å; E106-K108 VanDerWaalsContact CD-CE 3.45Å; E106-K108 VanDerWaalsContact CD-NZ 3.29Å; E106-K108 HydrophobicContact CG-CD 4.08Å; E106-K108 HydrophobicContact CG-CG 4.02Å; E106-K108 PolarHBondContact O-N 2.84Å; E106-K108 WeakPolarHBondContact OE1-CD 3.29Å; E106-K108 IonicContact OE1-NZ 2.68Å; E106-K108 PolarHBondContact OE1-NZ 2.82Å; E106-K108 WeakPolarHBondContact OE2-CE 3.36Å; E106-K108 IonicContact OE2-NZ 2.62Å; E106-K108 PolarHBondContact OE2-NZ 3Å
107K93.8Very high94.7Very high117 Ų11769.5 Ų69.551%0.50937%0.369SS..SBendtrans-77.658.5-176.5-57.4-174-174.6-176.50112.5A68 E70 A105A68-K107 WeakPolarHBondContact CB-O 3.27Å; E70-K107 WeakPolarHBondContact OE1-CD 3.5Å; E70-K107 IonicContact OE1-NZ 2.83Å; E70-K107 PolarHBondContact OE1-NZ 2.76Å; E70-K107 IonicContact OE2-NZ 2.77Å; E70-K107 PolarHBondContact OE2-NZ 2.84Å; A105-K107 PolarHBondContact O-N 3.4Å
108K96.3Very high94.4Very high104 Ų10477.7 Ų77.745%0.45241%0.407SS..SBendtrans-130.8168.6178.667.3176.8177.2-158.90110.6E106E106-K108 HydrophobicContact CB-CG 4.24Å; E106-K108 VanDerWaalsContact CD-CD 3.48Å; E106-K108 VanDerWaalsContact CD-CE 3.45Å; E106-K108 VanDerWaalsContact CD-NZ 3.29Å; E106-K108 HydrophobicContact CG-CD 4.08Å; E106-K108 HydrophobicContact CG-CG 4.02Å; E106-K108 PolarHBondContact O-N 2.84Å; E106-K108 WeakPolarHBondContact OE1-CD 3.29Å; E106-K108 IonicContact OE1-NZ 2.68Å; E106-K108 PolarHBondContact OE1-NZ 2.82Å; E106-K108 WeakPolarHBondContact OE2-CE 3.36Å; E106-K108 IonicContact OE2-NZ 2.62Å; E106-K108 PolarHBondContact OE2-NZ 3Å
109F97.7Very high94.2Very high45 Ų4582.7 Ų82.720%0.19743%0.432CS..  trans-70.4129.9170.9179.6-98.7000110.3M49 W50 I51 C66 M111 L114M49-F109 HydrophobicContact CB-CD2 4.22Å; M49-F109 HydrophobicContact SD-CD2 4.32Å; W50-F109 VanDerWaalsContact O-CD2 3.31Å; W50-F109 WeakPolarHBondContact O-CD2 3.19Å; W50-F109 WeakPolarHBondContact O-CE2 3.36Å; I51-F109 HydrophobicContact CB-CE2 3.81Å; I51-F109 HydrophobicContact CB-CZ 4.05Å; I51-F109 HydrophobicContact CD1-CZ 3.98Å; I51-F109 HydrophobicContact CG2-CE2 4.33Å; C66-F109 HydrophobicContact CB-CD1 3.94Å; C66-F109 HydrophobicContact CB-CD2 3.76Å; C66-F109 HydrophobicContact CB-CE1 4.04Å; C66-F109 HydrophobicContact CB-CE2 3.88Å; C66-F109 HydrophobicContact CB-CG 3.8Å; C66-F109 HydrophobicContact CB-CZ 4.02Å; F109-M111 HydrophobicContact CE1-CB 3.91Å; F109-M111 HydrophobicContact CE1-CE 3.84Å; F109-M111 HydrophobicContact CE1-SD 4.44Å; F109-M111 HydrophobicContact CZ-CB 4.28Å; F109-M111 HydrophobicContact CZ-CE 3.75Å; F109-M111 HydrophobicContact CZ-SD 4.05Å; F109-L114 HydrophobicContact CE2-CD2 4.03Å; F109-L114 HydrophobicContact CZ-CD2 4.19Å
110D96.7Very high94.1Very high69 Ų6984.1 Ų84.137%0.36944%0.441SS..  trans-129.8109.4176.1-175.1-29.4000109.2M49 D112 Y113 L114M49-D110 WeakPolarHBondContact CE-O 3.46Å; M49-D110 HydrophobicContact SD-CB 4.31Å; M49-D110 PolarHBondContact SD-N 2.88Å; M49-D110 VanDerWaalsContact SD-N 3.45Å; D110-D112 PolarHBondContact OD1-N 2.83Å; D110-Y113 PolarHBondContact OD1-N 3.36Å; D110-L114 WeakPolarHBondContact O-CB 3.4Å; D110-L114 PolarHBondContact O-N 2.79Å
111M96.1Very high94.1Very high71 Ų7185.8 Ų85.835%0.3545%0.445SS..Hα-helixtrans-67.5-38.1-178.8-175.866.776.200112I51 F109 L114 Q115I51-M111 HydrophobicContact CD1-CE 3.49Å; I51-M111 VanDerWaalsContact CD1-CE 3.49Å; I51-M111 HydrophobicContact CD1-SD 4.46Å; F109-M111 HydrophobicContact CE1-CB 3.91Å; F109-M111 HydrophobicContact CE1-CE 3.84Å; F109-M111 HydrophobicContact CE1-SD 4.44Å; F109-M111 HydrophobicContact CZ-CB 4.28Å; F109-M111 HydrophobicContact CZ-CE 3.75Å; F109-M111 HydrophobicContact CZ-SD 4.05Å; M111-L114 PolarHBondContact O-N 3.29Å; M111-Q115 VanDerWaalsContact O-CG 3.31Å; M111-Q115 WeakPolarHBondContact O-CG 3.36Å; M111-Q115 PolarHBondContact O-N 3Å
112D95.7Very high94.1Very high98 Ų9894.3 Ų94.352%0.52448%0.477SS..Hα-helixtrans-69.2-41.7-177.1-72.2-8.2000110D110 Q115 K116D110-D112 PolarHBondContact OD1-N 2.83Å; D112-Q115 PolarHBondContact O-N 2.87Å; D112-K116 WeakPolarHBondContact O-CG 3.31Å; D112-K116 PolarHBondContact O-N 2.73Å
113Y94.9Very high94.1Very high82 Ų8293.6 Ų93.632%0.32247%0.469SS..Hα-helixtrans-64.4-44.1173.1-177.1-113.6000111.1M49 P102 D110 Q115 K116 C117M49-Y113 HydrophobicContact CE-CD1 3.27Å; M49-Y113 HydrophobicContact CE-CE1 3.94Å; M49-Y113 HydrophobicContact CE-CG 4.17Å; M49-Y113 HydrophobicContact SD-CD1 4.38Å; P102-Y113 VanDerWaalsContact CD-CE1 3.49Å; P102-Y113 HydrophobicContact CG-CE1 3.86Å; P102-Y113 HydrophobicContact CG-CE2 4.01Å; P102-Y113 VanDerWaalsContact CG-CZ 3.42Å; P102-Y113 WeakPolarHBondContact CG-OH 3.42Å; D110-Y113 PolarHBondContact OD1-N 3.36Å; Y113-Q115 VanDerWaalsContact C-N 3.27Å; Y113-Q115 PolarHBondContact O-N 2.76Å; Y113-K116 CarbonylContact O-C 3.53Å; Y113-K116 PolarHBondContact O-N 3.18Å; Y113-K116 VanDerWaalsContact O-N 3.13Å; Y113-C117 HydrophobicContact CE1-CB 4.42Å; Y113-C117 VanDerWaalsContact O-CB 3.3Å; Y113-C117 WeakPolarHBondContact O-CB 3.44Å; Y113-C117 PolarHBondContact O-N 2.82Å
114L94.4Very high94.3Very high8 Ų889.8 Ų89.84%0.04246%0.456CS..Hα-helixtrans-59.3-39.3178.9-174.371.5000112M49 I51 C99 F109 D110 M111 K116 V120M49-L114 VanDerWaalsContact CE-CA 3.48Å; M49-L114 HydrophobicContact CE-CB 3.53Å; M49-L114 HydrophobicContact CE-CD1 3.88Å; M49-L114 HydrophobicContact CE-CG 4.31Å; I51-L114 HydrophobicContact CB-CD2 4.42Å; I51-L114 HydrophobicContact CG2-CD2 3.43Å; I51-L114 VanDerWaalsContact CG2-CD2 3.43Å; C99-L114 HydrophobicContact CB-CD1 4.49Å; F109-L114 HydrophobicContact CE2-CD2 4.03Å; F109-L114 HydrophobicContact CZ-CD2 4.19Å; D110-L114 WeakPolarHBondContact O-CB 3.4Å; D110-L114 PolarHBondContact O-N 2.79Å; M111-L114 PolarHBondContact O-N 3.29Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-V120 HydrophobicContact CD1-CG1 4.14Å; L114-V120 HydrophobicContact CD1-CG2 4.12Å; L114-V120 WeakPolarHBondContact O-CG2 3.31Å
115Q93Very high94.4Very high144 Ų14485.4 Ų85.467%0.67341%0.411SS*.Hα-helixtrans-70-30.1179.5-75.2179-9.700113.2M111 D112 Y113M111-Q115 VanDerWaalsContact O-CG 3.31Å; M111-Q115 WeakPolarHBondContact O-CG 3.36Å; M111-Q115 PolarHBondContact O-N 3Å; D112-Q115 PolarHBondContact O-N 2.87Å; Y113-Q115 VanDerWaalsContact C-N 3.27Å; Y113-Q115 PolarHBondContact O-N 2.76Å
116K93.8Very high94.6Very high166 Ų16685.8 Ų85.872%0.72241%0.409SS*.Hα-helixtrans-94.7-17.4-179.1-65.5169.6-173.4167.20113.2D112 Y113 L114 E118D112-K116 WeakPolarHBondContact O-CG 3.31Å; D112-K116 PolarHBondContact O-N 2.73Å; Y113-K116 CarbonylContact O-C 3.53Å; Y113-K116 PolarHBondContact O-N 3.18Å; Y113-K116 VanDerWaalsContact O-N 3.13Å; L114-K116 VanDerWaalsContact C-N 3.34Å; K116-E118 PolarHBondContact O-N 2.79Å
117C92Very high94.6Very high24 Ų2480 Ų8016%0.16238%0.382CS..  trans-62.3127.7-178.4-171.40000110.5Y113 I119 V120Y113-C117 HydrophobicContact CE1-CB 4.42Å; Y113-C117 VanDerWaalsContact O-CB 3.3Å; Y113-C117 WeakPolarHBondContact O-CB 3.44Å; Y113-C117 PolarHBondContact O-N 2.82Å; C117-I119 VanDerWaalsContact C-N 3.31Å; C117-I119 PolarHBondContact O-N 3.14Å; C117-V120 HydrophobicContact CB-CG2 3.99Å
118E90.3Very high94.7Very high196 Ų19678.7 Ų78.792%0.91638%0.378SS*.SBendtrans-67.1-34.6180-63.6-177.5170.800112K116K116-E118 PolarHBondContact O-N 2.79Å
119I91.5Very high94.6Very high110 Ų11074.3 Ų74.356%0.56436%0.359SS*.  trans-110.888.7-175.6-53.5177.8000109.3C99 C117C99-I119 VanDerWaalsContact CB-O 3.22Å; C99-I119 WeakPolarHBondContact CB-O 3.49Å; C117-I119 VanDerWaalsContact C-N 3.31Å; C117-I119 PolarHBondContact O-N 3.14Å
120V94.4Very high94.3Very high32 Ų3275 Ų7519%0.19436%0.363CS..  trans-108114.3170.11800000109.6Q97 L114 C117 R122Q97-V120 HydrophobicContact CB-CG1 3.98Å; L114-V120 HydrophobicContact CD1-CG1 4.14Å; L114-V120 HydrophobicContact CD1-CG2 4.12Å; L114-V120 WeakPolarHBondContact O-CG2 3.31Å; C117-V120 HydrophobicContact CB-CG2 3.99Å; V120-R122 HydrophobicContact CG1-CG 4.36Å
121K94.3Very high93.8Very high73 Ų7380 Ų8032%0.31738%0.381SS..EExtended strand (participates in β ladder)trans-75.4143.9172-60-64.3-174.9171.60109.5Q97 S98Q97-K121 VanDerWaalsContact CA-O 3.28Å; Q97-K121 WeakPolarHBondContact CA-O 3.45Å; S98-K121 PolarHBondContact N-O 3.04Å; S98-K121 PolarHBondContact O-N 3.27Å
122R94.9Very high93.7Very high183 Ų18380.5 Ų80.569%0.69138%0.383SS*.EExtended strand (participates in β ladder)trans-136.4121.7-177.5-60.4-177.2-179.7152.63.4110V96 Q97 V120V96-R122 CarbonylContact O-C 3.54Å; V96-R122 WeakPolarHBondContact O-CA 3.29Å; Q97-R122 HydrophobicContact CG-CG 4.18Å; V120-R122 HydrophobicContact CG1-CG 4.36Å
123K94.6Very high93.6Very high37 Ų3779.6 Ų79.616%0.16138%0.376CS..EExtended strand (participates in β ladder)trans-118.2118175.7-171.9173.3-170.21730110.6T18 D21 T95 V96 I125T18-K123 HydrophobicContact CG2-CD 3.85Å; T18-K123 VanDerWaalsContact OG1-CE 3.25Å; T18-K123 WeakPolarHBondContact OG1-CE 3.45Å; T18-K123 PolarHBondContact OG1-NZ 3.09Å; D21-K123 IonicContact OD1-NZ 3.42Å; D21-K123 PolarHBondContact OD1-NZ 3.14Å; T95-K123 CarbonylContact C-O 3.59Å; T95-K123 WeakPolarHBondContact CA-O 3.33Å; V96-K123 PolarHBondContact N-O 2.68Å; V96-K123 PolarHBondContact O-N 2.89Å; K123-I125 HydrophobicContact CG-CG1 4.46Å
124A95.5Very high93.5Very high54 Ų5479.4 Ų79.445%0.44638%0.379SS..EExtended strand (participates in β ladder)trans-91131.2173.500000110.1L94L94-A124 CarbonylContact O-C 3.51Å
125I95.6Very high93.4Very high0 Ų083.6 Ų83.60%040%0.398CS..EExtended strand (participates in β ladder)trans-118.9101.1177.6-54.7-179.6000107.1T18 I24 L38 R93 L94 V96 K123T18-I125 HydrophobicContact CG2-CD1 4.16Å; I24-I125 HydrophobicContact CD1-CG2 3.91Å; I24-I125 HydrophobicContact CG1-CG2 3.98Å; L38-I125 HydrophobicContact CD1-CD1 3.41Å; L38-I125 VanDerWaalsContact CD1-CD1 3.41Å; L38-I125 HydrophobicContact CD2-CD1 3.66Å; L38-I125 HydrophobicContact CG-CD1 4.17Å; R93-I125 WeakPolarHBondContact CA-O 3.29Å; L94-I125 PolarHBondContact N-O 3.42Å; L94-I125 PolarHBondContact O-N 3.16Å; V96-I125 HydrophobicContact CG2-CD1 4.27Å; K123-I125 HydrophobicContact CG-CG1 4.46Å
126P96.2Very high93.4Very high57 Ų5779.9 Ų79.937%0.3738%0.381SS..EExtended strand (participates in β ladder)trans-57.6143175.8-24.433.6000112.2K22 R23 I24K22-P126 WeakPolarHBondContact O-CD 3.46Å; R23-P126 VanDerWaalsContact CA-O 3.29Å; R23-P126 WeakPolarHBondContact CA-O 3.3Å; R23-P126 WeakPolarHBondContact CB-O 3.47Å; I24-P126 PolarHBondContact N-O 3.19Å
127I95.5Very high93.4Very high10 Ų1074.1 Ų74.15%0.05136%0.358CS..EExtended strand (participates in β ladder)trans-94.9127.2167.5-54.1-55.4000108.6I24 F26 F60 D92 L94 Y129I24-I127 HydrophobicContact CB-CD1 3.78Å; I24-I127 HydrophobicContact CD1-CD1 4.15Å; I24-I127 HydrophobicContact CG2-CD1 4.19Å; I24-I127 CarbonylContact O-C 3.46Å; I24-I127 WeakPolarHBondContact O-CA 3.39Å; F26-I127 HydrophobicContact CD2-CG2 3.64Å; F26-I127 HydrophobicContact CE2-CD1 4.41Å; F26-I127 HydrophobicContact CE2-CG2 3.94Å; F60-I127 HydrophobicContact CE2-CG1 4.42Å; F60-I127 HydrophobicContact CZ-CG1 4.13Å; F60-I127 HydrophobicContact CZ-CG2 3.95Å; D92-I127 HydrophobicContact CB-CB 3.92Å; D92-I127 HydrophobicContact CB-CG1 4.09Å; D92-I127 PolarHBondContact O-N 3.21Å; L94-I127 HydrophobicContact CD1-CD1 4.38Å; L94-I127 HydrophobicContact CG-CD1 4.25Å; I127-Y129 HydrophobicContact CG2-CE1 4.15Å; I127-Y129 HydrophobicContact CG2-CE2 4.03Å
128H94.5Very high93.5Very high89 Ų8977.7 Ų77.741%0.41237%0.372SS..EExtended strand (participates in β ladder)trans-113.7134.9178.5-166.4-127.1000110.6I24 S25 F26 H130I24-H128 PolarHBondContact O-N 2.94Å; S25-H128 CarbonylContact C-O 3.54Å; S25-H128 VanDerWaalsContact CA-O 3.26Å; S25-H128 WeakPolarHBondContact CA-O 3.04Å; F26-H128 PolarHBondContact N-O 2.86Å; H128-H130 AromaticContact CE1-CD2 3.29Å; H128-H130 PolarHBondContact CE1-CD2 3.47Å; H128-H130 AromaticContact CE1-NE2 3.36Å; H128-H130 PolarHBondContact CE1-NE2 2.79Å; H128-H130 AromaticContact ND1-CD2 3Å; H128-H130 PolarHBondContact ND1-CD2 3.44Å; H128-H130 AromaticContact ND1-NE2 2.82Å; H128-H130 PolarHBondContact ND1-NE2 3.12Å
129Y94Very high93.8Very high13 Ų1368.6 Ų68.65%0.05133%0.331CS..EExtended strand (participates in β ladder)trans-107.8116.8-179.6-60.3-81.9000108.8F26 F30 F60 M81 F84 Y86 M90 D92 I127F26-Y129 HydrophobicContact CB-CD1 4.42Å; F26-Y129 WeakPolarHBondContact O-CA 3.43Å; F30-Y129 HydrophobicContact CD1-CD1 4.47Å; F30-Y129 HydrophobicContact CE1-CD1 4.02Å; F30-Y129 HydrophobicContact CZ-CD1 4.07Å; F30-Y129 HydrophobicContact CZ-CG 4.37Å; F60-Y129 WeakPolarHBondContact CZ-OH 3.5Å; M81-Y129 HydrophobicContact SD-CD1 4.36Å; M81-Y129 HydrophobicContact SD-CE1 3.68Å; F84-Y129 HydrophobicContact CE1-CD1 4.31Å; F84-Y129 AromaticContact CE1-CE1 3.77Å; F84-Y129 HydrophobicContact CE1-CE1 3.77Å; F84-Y129 AromaticContact CZ-CD1 3.88Å; F84-Y129 HydrophobicContact CZ-CD1 3.88Å; F84-Y129 AromaticContact CZ-CE1 3.42Å; F84-Y129 HydrophobicContact CZ-CE1 3.42Å; F84-Y129 VanDerWaalsContact CZ-CE1 3.42Å; F84-Y129 AromaticContact CZ-CZ 3.95Å; Y86-Y129 HydrophobicContact CD2-CD1 4.45Å; Y86-Y129 HydrophobicContact CD2-CD2 4.23Å; Y86-Y129 AromaticContact CD2-CG 3.99Å; Y86-Y129 HydrophobicContact CD2-CG 3.99Å; Y86-Y129 AromaticContact CE2-CD2 3.81Å; Y86-Y129 HydrophobicContact CE2-CD2 3.81Å; Y86-Y129 AromaticContact CE2-CG 3.85Å; Y86-Y129 HydrophobicContact CE2-CG 3.85Å; M90-Y129 HydrophobicContact CB-CE2 4.38Å; M90-Y129 HydrophobicContact CE-CD2 4.16Å; M90-Y129 HydrophobicContact CE-CE1 4.22Å; M90-Y129 HydrophobicContact CE-CE2 3.38Å; M90-Y129 VanDerWaalsContact CE-CZ 3.4Å; M90-Y129 WeakPolarHBondContact CE-OH 3.21Å; D92-Y129 HydrophobicContact CB-CE2 4.38Å; D92-Y129 PolarHBondContact OD2-OH 3.05Å; I127-Y129 HydrophobicContact CG2-CE1 4.15Å; I127-Y129 HydrophobicContact CG2-CE2 4.03Å
130H91.5Very high94Very high60 Ų6065.2 Ų65.228%0.27831%0.311SS..EExtended strand (participates in β ladder)trans-95138175-65.3172.3000110.3F26 N27 S28 F30 H128F26-H130 PolarHBondContact O-N 3.2Å; N27-H130 CarbonylContact C-O 3.55Å; N27-H130 WeakPolarHBondContact OD1-CB 3.33Å; N27-H130 PolarHBondContact OD1-ND1 2.8Å; S28-H130 WeakPolarHBondContact CB-O 3.24Å; S28-H130 PolarHBondContact N-O 3.16Å; F30-H130 WeakPolarHBondContact CZ-O 3.24Å; H128-H130 AromaticContact CE1-CD2 3.29Å; H128-H130 PolarHBondContact CE1-CD2 3.47Å; H128-H130 AromaticContact CE1-NE2 3.36Å; H128-H130 PolarHBondContact CE1-NE2 2.79Å; H128-H130 AromaticContact ND1-CD2 3Å; H128-H130 PolarHBondContact ND1-CD2 3.44Å; H128-H130 AromaticContact ND1-NE2 2.82Å; H128-H130 PolarHBondContact ND1-NE2 3.12Å
131F86.7Confident93.9Very high174 Ų17468.2 Ų68.276%0.76332%0.322SS*.  trans-98.40175.6-70.1-86.1000111.1F30 Y86F30-F131 HydrophobicContact CE2-CD1 4.33Å; F30-F131 AromaticContact CE2-CE1 3.61Å; F30-F131 HydrophobicContact CE2-CE1 3.61Å; F30-F131 HydrophobicContact CE2-CE2 4.47Å; F30-F131 AromaticContact CE2-CZ 3.65Å; F30-F131 HydrophobicContact CE2-CZ 3.65Å; F30-F131 HydrophobicContact CZ-CE1 4.37Å; F30-F131 HydrophobicContact CZ-CZ 4.26Å; Y86-F131 AromaticContact CD1-CE1 3.92Å; Y86-F131 HydrophobicContact CD1-CE1 3.92Å; Y86-F131 HydrophobicContact CD1-CE2 4.2Å; Y86-F131 AromaticContact CD1-CZ 3.25Å; Y86-F131 HydrophobicContact CD1-CZ 3.25Å; Y86-F131 HydrophobicContact CD2-CE2 4.5Å; Y86-F131 AromaticContact CD2-CZ 3.81Å; Y86-F131 HydrophobicContact CD2-CZ 3.81Å; Y86-F131 HydrophobicContact CE1-CE1 4.26Å; Y86-F131 AromaticContact CE1-CE2 3.76Å; Y86-F131 HydrophobicContact CE1-CE2 3.76Å; Y86-F131 AromaticContact CE1-CZ 3.26Å; Y86-F131 HydrophobicContact CE1-CZ 3.26Å; Y86-F131 HydrophobicContact CE2-CE2 4.11Å; Y86-F131 AromaticContact CE2-CZ 3.84Å; Y86-F131 HydrophobicContact CE2-CZ 3.84Å; Y86-F131 HydrophobicContact CG-CE1 4.18Å; Y86-F131 AromaticContact CG-CZ 3.51Å; Y86-F131 HydrophobicContact CG-CZ 3.51Å; Y86-F131 AromaticContact CZ-CE2 3.7Å; Y86-F131 AromaticContact CZ-CZ 3.56Å

Retrieved 131 of 131 residues in 247.8 ms (Link to these results)

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