A0A096LPP7_POEFO Loading...

Zgc:123278

AlphaFold DB , UniProt , Accession A0A096LPP7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 134 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
1M88.5Confident94.1Very high173 Ų17371.6 Ų71.685%0.85242%0.422SS*.  0159.8075.8-163.7-92.900108.7F24M1-F24 HydrophobicContact CG-CB 3.97Å; M1-F24 HydrophobicContact CG-CD2 3.61Å; M1-F24 HydrophobicContact CG-CG 4.15Å; M1-F24 PolarHBondContact O-N 3.32Å; M1-F24 HydrophobicContact SD-CD2 4.37Å
2S93.1Very high93.9Very high55 Ų5573.9 Ų73.939%0.38544%0.444SS..EExtended strand (participates in β ladder)trans-136.8149.2174.861.70000112.4V22S2-V22 CarbonylContact C-O 3.52Å; S2-V22 WeakPolarHBondContact CA-O 3.47Å; S2-V22 WeakPolarHBondContact CB-O 3.34Å
3L94.6Very high93.7Very high86 Ų8673.9 Ų73.945%0.4547%0.469SS..EExtended strand (participates in β ladder)trans-108.6120.6170.8176.973.8000107.6C21 V22 F24 L72L3-C21 CarbonylContact O-C 3.52Å; L3-C21 WeakPolarHBondContact O-CA 3.27Å; L3-V22 HydrophobicContact CB-CB 4.41Å; L3-V22 PolarHBondContact N-O 3.27Å; L3-V22 PolarHBondContact O-N 3.29Å; L3-F24 HydrophobicContact CB-CE2 3.75Å; L3-F24 HydrophobicContact CB-CZ 4.2Å; L3-L72 HydrophobicContact CD2-CD2 4.2Å
4T95.5Very high93.7Very high91 Ų9178.5 Ų78.556%0.55848%0.478SS*.EExtended strand (participates in β ladder)trans-119136.9178.7-53.40000108.8I20 C21T4-I20 WeakPolarHBondContact CA-O 3.4Å; T4-C21 HydrophobicContact CG2-CB 4.46Å; T4-C21 PolarHBondContact OG1-SG 3.02Å
5G94.9Very high93.7Very high36 Ų3679.3 Ų79.337%0.37148%0.483SS..EExtended strand (participates in β ladder)trans-172.3-163.8-178.800000111.2P19 I20G5-P19 WeakPolarHBondContact O-CA 3.38Å; G5-I20 PolarHBondContact N-O 3.36Å; G5-I20 PolarHBondContact O-N 2.97Å; G5-I20 VanDerWaalsContact O-O 3.11Å
6T95.3Very high93.7Very high86 Ų8681.3 Ų81.353%0.52848%0.48SS..EExtended strand (participates in β ladder)trans-124.9148.8172.658.60000109.2N17 I18 P19T6-N17 HydrophobicContact CG2-CB 4.48Å; T6-I18 CarbonylContact C-O 3.54Å; T6-I18 VanDerWaalsContact CA-O 3.25Å; T6-I18 WeakPolarHBondContact CA-O 3.23Å; T6-P19 HydrophobicContact CG2-CB 4.28Å
7I94.9Very high93.7Very high15 Ų1582.5 Ų82.58%0.07748%0.484CS..EExtended strand (participates in β ladder)trans-114.7134.1170.852.7166.2000109.9V9 I18 I20 L76 M79 F83I7-V9 HydrophobicContact CD1-CG2 4.22Å; I7-V9 HydrophobicContact CG1-CG2 4.22Å; I7-I18 HydrophobicContact CG1-CB 4.26Å; I7-I18 PolarHBondContact N-O 3.06Å; I7-I18 PolarHBondContact O-N 2.88Å; I7-I20 HydrophobicContact CD1-CD1 4.38Å; I7-I20 HydrophobicContact CD1-CG2 4.21Å; I7-I20 HydrophobicContact CG1-CD1 4.25Å; I7-I20 HydrophobicContact CG1-CG1 4.46Å; I7-I20 HydrophobicContact CG1-CG2 4.07Å; I7-I20 HydrophobicContact CG2-CD1 3.54Å; I7-I20 HydrophobicContact CG2-CG1 4.21Å; I7-L76 HydrophobicContact CG2-CD2 4.21Å; I7-M79 HydrophobicContact CD1-CB 4.02Å; I7-F83 HydrophobicContact CD1-CD2 3.79Å; I7-F83 HydrophobicContact CD1-CE2 3.89Å
8P95.1Very high93.8Very high85 Ų8578.6 Ų78.655%0.55246%0.461SS*.EExtended strand (participates in β ladder)trans-74.2128.417530-32.8000109.8T15P8-T15 HydrophobicContact CB-CG2 3.88Å
9V95.3Very high93.9Very high3 Ų375.5 Ų75.52%0.01844%0.444CS..EExtended strand (participates in β ladder)trans-130.5128.6-178175.50000109.1I7 T15 Y16 I18 A80 F83 G84I7-V9 HydrophobicContact CD1-CG2 4.22Å; I7-V9 HydrophobicContact CG1-CG2 4.22Å; V9-T15 CarbonylContact O-C 3.6Å; V9-T15 WeakPolarHBondContact O-CA 3.41Å; V9-Y16 PolarHBondContact N-O 3.08Å; V9-Y16 PolarHBondContact O-N 3.45Å; V9-I18 HydrophobicContact CB-CD1 3.83Å; V9-I18 HydrophobicContact CB-CG1 4.03Å; V9-I18 HydrophobicContact CG1-CD1 4.09Å; V9-I18 HydrophobicContact CG2-CB 4.39Å; V9-I18 HydrophobicContact CG2-CD1 3.69Å; V9-I18 HydrophobicContact CG2-CG1 3.82Å; V9-A80 HydrophobicContact CG2-CB 4.33Å; V9-F83 HydrophobicContact CB-CB 4.46Å; V9-F83 HydrophobicContact CG1-CB 3.74Å; V9-F83 HydrophobicContact CG2-CB 3.95Å; V9-F83 HydrophobicContact CG2-CD2 4.32Å; V9-G84 VanDerWaalsContact CG1-N 3.31Å
10V94.4Very high94Very high92 Ų9272.3 Ų72.356%0.55842%0.424SS*.EExtended strand (participates in β ladder)trans-91115.8175.9-1770000108.8K14 G84V10-K14 CarbonylContact C-O 3.49Å; V10-K14 WeakPolarHBondContact CA-O 3.43Å; V10-G84 VanDerWaalsContact O-CA 3.23Å; V10-G84 WeakPolarHBondContact O-CA 3.05Å
11F93.1Very high94.1Very high66 Ų6669 Ų6929%0.28941%0.405SS..EExtended strand (participates in β ladder)trans-127.8127.9175177.6-104.3000109.3G13 K14 Y16 G84 P87F11-G13 PolarHBondContact O-N 3.22Å; F11-G13 VanDerWaalsContact O-N 3.16Å; F11-K14 PolarHBondContact N-O 3.18Å; F11-K14 PolarHBondContact O-N 3.01Å; F11-K14 VanDerWaalsContact O-O 3.11Å; F11-Y16 HydrophobicContact CB-CD2 3.95Å; F11-Y16 HydrophobicContact CB-CE2 4.01Å; F11-Y16 HydrophobicContact CD1-CE2 4.22Å; F11-G84 WeakPolarHBondContact CD2-O 3.43Å; F11-P87 HydrophobicContact CB-CG 4.17Å; F11-P87 HydrophobicContact CD1-CG 3.68Å; F11-P87 HydrophobicContact CD2-CG 3.26Å; F11-P87 HydrophobicContact CE1-CG 3.78Å; F11-P87 HydrophobicContact CE2-CG 3.4Å; F11-P87 VanDerWaalsContact CE2-CG 3.4Å; F11-P87 HydrophobicContact CG-CG 3.41Å; F11-P87 VanDerWaalsContact CG-CG 3.41Å; F11-P87 HydrophobicContact CZ-CG 3.65Å
12S92.1Very high94.4Very high99 Ų9960.9 Ų60.969%0.69237%0.365SS*.THydrogen-bonded Turntrans50.639.9179.8-59.40000114K14S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 3.33Å
13G91.7Very high94.5Very high74 Ų7463.6 Ų63.676%0.76337%0.367SS*.THydrogen-bonded Turntrans77.23.6179.100000115.7F11F11-G13 PolarHBondContact O-N 3.22Å; F11-G13 VanDerWaalsContact O-N 3.16Å
14K93.4Very high94.5Very high138 Ų13860.8 Ų60.860%0.635%0.351SS*.EExtended strand (participates in β ladder)trans-117.2142.8175.9-66.2179.7-178.1177.90110.8V10 F11 S12 Y16V10-K14 CarbonylContact C-O 3.49Å; V10-K14 WeakPolarHBondContact CA-O 3.43Å; F11-K14 PolarHBondContact N-O 3.18Å; F11-K14 PolarHBondContact O-N 3.01Å; F11-K14 VanDerWaalsContact O-O 3.11Å; S12-K14 VanDerWaalsContact C-N 3.28Å; S12-K14 PolarHBondContact O-N 3.33Å; K14-Y16 HydrophobicContact CB-CD2 4.41Å; K14-Y16 HydrophobicContact CB-CE2 3.64Å; K14-Y16 WeakPolarHBondContact O-CD2 3.28Å
15T93.9Very high94.2Very high91 Ų9160.2 Ų60.256%0.55834%0.342SS*.EExtended strand (participates in β ladder)trans-90.2123.1175.7-50.30000110.4P8 V9P8-T15 HydrophobicContact CB-CG2 3.88Å; V9-T15 CarbonylContact O-C 3.6Å; V9-T15 WeakPolarHBondContact O-CA 3.41Å
16Y93.2Very high93.9Very high110 Ų11065.2 Ų65.243%0.43137%0.368SS..EExtended strand (participates in β ladder)trans-111.8139.1176-62.4-89.8000109.9V9 F11 K14V9-Y16 PolarHBondContact N-O 3.08Å; V9-Y16 PolarHBondContact O-N 3.45Å; F11-Y16 HydrophobicContact CB-CD2 3.95Å; F11-Y16 HydrophobicContact CB-CE2 4.01Å; F11-Y16 HydrophobicContact CD1-CE2 4.22Å; K14-Y16 HydrophobicContact CB-CD2 4.41Å; K14-Y16 HydrophobicContact CB-CE2 3.64Å; K14-Y16 WeakPolarHBondContact O-CD2 3.28Å
17N94.4Very high93.7Very high103 Ų10365.1 Ų65.155%0.55136%0.364SS*.EExtended strand (participates in β ladder)trans-93.9104175.8-66.3-62.3000109.1T6 P19T6-N17 HydrophobicContact CG2-CB 4.48Å; N17-P19 WeakPolarHBondContact O-CD 3.41Å
18I94.7Very high93.4Very high11 Ų1167.9 Ų67.96%0.05637%0.374CS..EExtended strand (participates in β ladder)trans-90.8118.4-174.4-53.7-161.9000109.5T6 I7 V9 I20 F83 P88 L89T6-I18 CarbonylContact C-O 3.54Å; T6-I18 VanDerWaalsContact CA-O 3.25Å; T6-I18 WeakPolarHBondContact CA-O 3.23Å; I7-I18 HydrophobicContact CG1-CB 4.26Å; I7-I18 PolarHBondContact N-O 3.06Å; I7-I18 PolarHBondContact O-N 2.88Å; V9-I18 HydrophobicContact CB-CD1 3.83Å; V9-I18 HydrophobicContact CB-CG1 4.03Å; V9-I18 HydrophobicContact CG1-CD1 4.09Å; V9-I18 HydrophobicContact CG2-CB 4.39Å; V9-I18 HydrophobicContact CG2-CD1 3.69Å; V9-I18 HydrophobicContact CG2-CG1 3.82Å; I18-I20 HydrophobicContact CG2-CG2 4.48Å; I18-I20 PolarHBondContact O-N 3.33Å; I18-F83 HydrophobicContact CD1-CB 3.89Å; I18-F83 HydrophobicContact CD1-CD2 4.09Å; I18-F83 HydrophobicContact CD1-CG 4.28Å; I18-F83 HydrophobicContact CG2-CD2 4.33Å; I18-F83 HydrophobicContact CG2-CE2 4.44Å; I18-P88 HydrophobicContact CD1-CG 3.65Å; I18-P88 HydrophobicContact CG2-CG 3.63Å; I18-L89 HydrophobicContact CG2-CD1 4.06Å
19P95.6Very high93.2Very high21 Ų2166.2 Ų66.214%0.13636%0.364CS..EExtended strand (participates in β ladder)trans-70.6124.117828.8-36.2000111.7G5 T6 N17 K38 L89G5-P19 WeakPolarHBondContact O-CA 3.38Å; T6-P19 HydrophobicContact CG2-CB 4.28Å; N17-P19 WeakPolarHBondContact O-CD 3.41Å; P19-K38 HydrophobicContact CB-CB 4.26Å; P19-K38 WeakPolarHBondContact CB-O 3.31Å; P19-K38 WeakPolarHBondContact CG-O 3.3Å; P19-K38 PolarHBondContact O-N 3.49Å; P19-L89 HydrophobicContact CG-CD1 3.77Å
20I95.6Very high93Very high11 Ų1170.1 Ų70.16%0.05638%0.384CS..EExtended strand (participates in β ladder)trans-128.4153.718061.6161.9000111.2T4 G5 I7 I18 V22 Y36 V37 L76 F83T4-I20 WeakPolarHBondContact CA-O 3.4Å; G5-I20 PolarHBondContact N-O 3.36Å; G5-I20 PolarHBondContact O-N 2.97Å; G5-I20 VanDerWaalsContact O-O 3.11Å; I7-I20 HydrophobicContact CD1-CD1 4.38Å; I7-I20 HydrophobicContact CD1-CG2 4.21Å; I7-I20 HydrophobicContact CG1-CD1 4.25Å; I7-I20 HydrophobicContact CG1-CG1 4.46Å; I7-I20 HydrophobicContact CG1-CG2 4.07Å; I7-I20 HydrophobicContact CG2-CD1 3.54Å; I7-I20 HydrophobicContact CG2-CG1 4.21Å; I18-I20 HydrophobicContact CG2-CG2 4.48Å; I18-I20 PolarHBondContact O-N 3.33Å; I20-V22 HydrophobicContact CD1-CG2 4.39Å; I20-Y36 CarbonylContact C-O 3.48Å; I20-Y36 WeakPolarHBondContact CA-O 3.48Å; I20-V37 HydrophobicContact CG2-CG1 4.49Å; I20-L76 HydrophobicContact CD1-CD2 3.31Å; I20-F83 HydrophobicContact CG2-CE2 4.3Å
21C95.9Very high92.8Very high4 Ų466.9 Ų66.93%0.02737%0.366CS..EExtended strand (participates in β ladder)trans-135.9115.9176.6-170.10000108.9L3 T4 W23 Y36 K38L3-C21 CarbonylContact O-C 3.52Å; L3-C21 WeakPolarHBondContact O-CA 3.27Å; T4-C21 HydrophobicContact CG2-CB 4.46Å; T4-C21 PolarHBondContact OG1-SG 3.02Å; C21-W23 PolarHBondContact SG-NE1 3.5Å; C21-Y36 PolarHBondContact N-O 3.01Å; C21-Y36 PolarHBondContact O-N 2.9Å; C21-K38 HydrophobicContact CB-CD 4.4Å; C21-K38 HydrophobicContact CB-CG 3.73Å
22V96Very high92.8Very high1 Ų166.1 Ų66.11%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-103.6117.2179.6-175.70000108.2S2 L3 I20 F24 P33 M34 L72S2-V22 CarbonylContact C-O 3.52Å; S2-V22 WeakPolarHBondContact CA-O 3.47Å; S2-V22 WeakPolarHBondContact CB-O 3.34Å; L3-V22 HydrophobicContact CB-CB 4.41Å; L3-V22 PolarHBondContact N-O 3.27Å; L3-V22 PolarHBondContact O-N 3.29Å; I20-V22 HydrophobicContact CD1-CG2 4.39Å; V22-F24 HydrophobicContact CG1-CE1 4.11Å; V22-F24 HydrophobicContact CG1-CE2 4.34Å; V22-F24 HydrophobicContact CG1-CZ 3.93Å; V22-P33 HydrophobicContact CG1-CB 3.59Å; V22-P33 HydrophobicContact CG1-CG 4.06Å; V22-M34 CarbonylContact C-O 3.58Å; V22-L72 HydrophobicContact CG1-CD1 4.15Å
23W94.9Very high92.9Very high112 Ų11261.6 Ų61.642%0.42434%0.336SS..EExtended strand (participates in β ladder)trans-99.1128.7177.1-76.578.5000109.9C21 P33 M34 Y36C21-W23 PolarHBondContact SG-NE1 3.5Å; W23-P33 CarbonylContact O-C 3.57Å; W23-P33 VanDerWaalsContact O-CA 3.3Å; W23-P33 WeakPolarHBondContact O-CA 3.48Å; W23-P33 WeakPolarHBondContact O-CB 3.41Å; W23-M34 HydrophobicContact CB-CB 4.18Å; W23-M34 PolarHBondContact N-O 3.47Å; W23-M34 PolarHBondContact O-N 3.32Å; W23-Y36 AromaticContact CD1-CD2 3.72Å; W23-Y36 AromaticContact CD1-CE2 3.95Å; W23-Y36 HydrophobicContact CG-CE2 4.44Å
24F93.8Very high93.1Very high27 Ų2761.6 Ų61.612%0.11832%0.317CS..PPolyproline II helixtrans-100.1128.3178.6-55.9-86.8000110M1 L3 V22 Y28 P33 L72M1-F24 HydrophobicContact CG-CB 3.97Å; M1-F24 HydrophobicContact CG-CD2 3.61Å; M1-F24 HydrophobicContact CG-CG 4.15Å; M1-F24 PolarHBondContact O-N 3.32Å; M1-F24 HydrophobicContact SD-CD2 4.37Å; L3-F24 HydrophobicContact CB-CE2 3.75Å; L3-F24 HydrophobicContact CB-CZ 4.2Å; V22-F24 HydrophobicContact CG1-CE1 4.11Å; V22-F24 HydrophobicContact CG1-CE2 4.34Å; V22-F24 HydrophobicContact CG1-CZ 3.93Å; F24-Y28 HydrophobicContact CB-CG 4.43Å; F24-Y28 AromaticContact CD1-CD1 3.79Å; F24-Y28 HydrophobicContact CD1-CD1 3.79Å; F24-Y28 AromaticContact CD1-CD2 3.76Å; F24-Y28 HydrophobicContact CD1-CD2 3.76Å; F24-Y28 AromaticContact CD1-CE1 3.9Å; F24-Y28 HydrophobicContact CD1-CE1 3.9Å; F24-Y28 AromaticContact CD1-CE2 3.86Å; F24-Y28 HydrophobicContact CD1-CE2 3.86Å; F24-Y28 AromaticContact CD1-CG 3.72Å; F24-Y28 HydrophobicContact CD1-CG 3.72Å; F24-Y28 AromaticContact CD1-CZ 3.93Å; F24-Y28 HydrophobicContact CE1-CD1 4.38Å; F24-Y28 HydrophobicContact CE1-CD2 4.4Å; F24-Y28 HydrophobicContact CE1-CE1 4.02Å; F24-Y28 HydrophobicContact CE1-CE2 4.03Å; F24-Y28 AromaticContact CE1-CZ 3.83Å; F24-P33 HydrophobicContact CD1-CB 4.05Å; F24-P33 HydrophobicContact CE1-CB 4.29Å; F24-L72 HydrophobicContact CE1-CD2 4.16Å; F24-L72 HydrophobicContact CZ-CD2 3.93Å
25E89.8Confident93.2Very high79 Ų7955.1 Ų55.137%0.36929%0.289SS..PPolyproline II helixtrans-69.7157.1168.3-70.4-157152.100111.5N27 Y28 S31 M34E25-N27 PolarHBondContact O-N 3.35Å; E25-N27 VanDerWaalsContact O-N 3.1Å; E25-Y28 VanDerWaalsContact O-CB 3.32Å; E25-Y28 WeakPolarHBondContact O-CB 3.41Å; E25-Y28 PolarHBondContact O-N 2.92Å; E25-S31 VanDerWaalsContact OE2-CB 3.25Å; E25-S31 WeakPolarHBondContact OE2-CB 3.37Å; E25-S31 PolarHBondContact OE2-OG 3.02Å; E25-M34 HydrophobicContact CG-CE 4.1Å
26P89.9Confident93.3Very high142 Ų14253.6 Ų53.692%0.92227%0.273SS*.THydrogen-bonded Turntrans-56.3-27.1175.2-24.834.5000113.9
27N91Very high93.4Very high83 Ų8348.5 Ų48.544%0.44425%0.254SS..THydrogen-bonded Turntrans-93.16.5-178.3-16736.8000113.5E25 N30 S31E25-N27 PolarHBondContact O-N 3.35Å; E25-N27 VanDerWaalsContact O-N 3.1Å; N27-N30 WeakPolarHBondContact O-CA 3.25Å; N27-N30 VanDerWaalsContact O-CB 3.28Å; N27-N30 WeakPolarHBondContact O-CB 3.23Å; N27-N30 PolarHBondContact O-N 3.34Å; N27-N30 PolarHBondContact O-ND2 3.29Å; N27-N30 PolarHBondContact OD1-ND2 3.48Å; N27-S31 PolarHBondContact ND2-OG 3.47Å; N27-S31 PolarHBondContact O-N 3.47Å
28Y88.4Confident93.4Very high74 Ų7448.6 Ų48.629%0.2925%0.249SC..THydrogen-bonded Turntrans-61.5136.5174-179.4-92.5000110.5F24 E25 P33 W65F24-Y28 HydrophobicContact CB-CG 4.43Å; F24-Y28 AromaticContact CD1-CD1 3.79Å; F24-Y28 HydrophobicContact CD1-CD1 3.79Å; F24-Y28 AromaticContact CD1-CD2 3.76Å; F24-Y28 HydrophobicContact CD1-CD2 3.76Å; F24-Y28 AromaticContact CD1-CE1 3.9Å; F24-Y28 HydrophobicContact CD1-CE1 3.9Å; F24-Y28 AromaticContact CD1-CE2 3.86Å; F24-Y28 HydrophobicContact CD1-CE2 3.86Å; F24-Y28 AromaticContact CD1-CG 3.72Å; F24-Y28 HydrophobicContact CD1-CG 3.72Å; F24-Y28 AromaticContact CD1-CZ 3.93Å; F24-Y28 HydrophobicContact CE1-CD1 4.38Å; F24-Y28 HydrophobicContact CE1-CD2 4.4Å; F24-Y28 HydrophobicContact CE1-CE1 4.02Å; F24-Y28 HydrophobicContact CE1-CE2 4.03Å; F24-Y28 AromaticContact CE1-CZ 3.83Å; E25-Y28 VanDerWaalsContact O-CB 3.32Å; E25-Y28 WeakPolarHBondContact O-CB 3.41Å; E25-Y28 PolarHBondContact O-N 2.92Å; Y28-P33 HydrophobicContact CD2-CB 4.4Å; Y28-P33 HydrophobicContact CE2-CB 4.41Å; Y28-P33 HydrophobicContact CE2-CG 4.22Å; Y28-W65 HydrophobicContact CD2-CZ2 4.47Å; Y28-W65 HydrophobicContact CE2-CH2 4.11Å; Y28-W65 AromaticContact CE2-CZ2 3.65Å; Y28-W65 HydrophobicContact CE2-CZ2 3.65Å
29P90.4Very high93.3Very high50 Ų5050.6 Ų50.633%0.32526%0.263SS..THydrogen-bonded Turncis-94.212.68.436.2-36000115.7W65 K67P29-W65 PolarHBondContact O-NE1 3.45Å; P29-K67 HydrophobicContact CG-CD 4.14Å; P29-K67 HydrophobicContact CG-CG 4.19Å
30N90.8Very high93Very high84 Ų8452.6 Ų52.645%0.44928%0.275SS..THydrogen-bonded Turntrans-69.1-37.8175.2-54.4-56.3000111.5N27 K67N27-N30 WeakPolarHBondContact O-CA 3.25Å; N27-N30 VanDerWaalsContact O-CB 3.28Å; N27-N30 WeakPolarHBondContact O-CB 3.23Å; N27-N30 PolarHBondContact O-N 3.34Å; N27-N30 PolarHBondContact O-ND2 3.29Å; N27-N30 PolarHBondContact OD1-ND2 3.48Å; N30-K67 WeakPolarHBondContact OD1-CD 3.35Å; N30-K67 PolarHBondContact OD1-NZ 2.97Å
31S90.8Very high92.7Very high25 Ų2562.9 Ų62.918%0.17531%0.313CS..SBendtrans-94.5149.8169.3-61.40000111.3E25 N27E25-S31 VanDerWaalsContact OE2-CB 3.25Å; E25-S31 WeakPolarHBondContact OE2-CB 3.37Å; E25-S31 PolarHBondContact OE2-OG 3.02Å; N27-S31 PolarHBondContact ND2-OG 3.47Å; N27-S31 PolarHBondContact O-N 3.47Å
32P93.1Very high92.5Very high50 Ų5068.8 Ų68.833%0.32534%0.34SS..PPolyproline II helixtrans-64152.2171.525.2-32.1000111.7L62 W65P32-L62 HydrophobicContact CB-CD2 4.11Å; P32-W65 HydrophobicContact CB-CB 3.64Å; P32-W65 HydrophobicContact CB-CD2 4.08Å; P32-W65 HydrophobicContact CB-CG 3.68Å; P32-W65 HydrophobicContact CG-CB 4.17Å; P32-W65 HydrophobicContact CG-CG 4.47Å
33P94.6Very high92.3Very high4 Ų471.1 Ų71.13%0.02635%0.352CS..PPolyproline II helixtrans-75.1150.916733.2-33.2000111V22 W23 F24 Y28 L62 L75V22-P33 HydrophobicContact CG1-CB 3.59Å; V22-P33 HydrophobicContact CG1-CG 4.06Å; W23-P33 CarbonylContact O-C 3.57Å; W23-P33 VanDerWaalsContact O-CA 3.3Å; W23-P33 WeakPolarHBondContact O-CA 3.48Å; W23-P33 WeakPolarHBondContact O-CB 3.41Å; F24-P33 HydrophobicContact CD1-CB 4.05Å; F24-P33 HydrophobicContact CE1-CB 4.29Å; Y28-P33 HydrophobicContact CD2-CB 4.4Å; Y28-P33 HydrophobicContact CE2-CB 4.41Å; Y28-P33 HydrophobicContact CE2-CG 4.22Å; P33-L62 HydrophobicContact CG-CD2 4.26Å; P33-L62 WeakPolarHBondContact O-CD2 3.32Å; P33-L75 HydrophobicContact CG-CD2 3.72Å
34M95.1Very high92.2Very high73 Ų7369.3 Ų69.336%0.3635%0.349SS..EExtended strand (participates in β ladder)trans-87130.6171.3-67.8177.8-79.700109.8V22 W23 E25 Y36V22-M34 CarbonylContact C-O 3.58Å; W23-M34 HydrophobicContact CB-CB 4.18Å; W23-M34 PolarHBondContact N-O 3.47Å; W23-M34 PolarHBondContact O-N 3.32Å; E25-M34 HydrophobicContact CG-CE 4.1Å; M34-Y36 HydrophobicContact CB-CE2 3.78Å
35C95.8Very high92.3Very high3 Ų370.2 Ų70.22%0.0236%0.355CS..EExtended strand (participates in β ladder)trans-118.9134.9-173.7-62.90000111.1V57 L62 M79C35-V57 HydrophobicContact CB-CB 4.06Å; C35-V57 PolarHBondContact O-N 3.08Å; C35-L62 HydrophobicContact CB-CD1 4.33Å; C35-M79 HydrophobicContact CB-CE 3.37Å; C35-M79 WeakPolarHBondContact SG-CE 2.92Å
36Y95.8Very high92.4Very high58 Ų5868.9 Ų68.923%0.22735%0.352CS..EExtended strand (participates in β ladder)trans-132.7145.1-179.2-59.7-90.4000111.3I20 C21 W23 M34 G55 E56I20-Y36 CarbonylContact C-O 3.48Å; I20-Y36 WeakPolarHBondContact CA-O 3.48Å; C21-Y36 PolarHBondContact N-O 3.01Å; C21-Y36 PolarHBondContact O-N 2.9Å; W23-Y36 AromaticContact CD1-CD2 3.72Å; W23-Y36 AromaticContact CD1-CE2 3.95Å; W23-Y36 HydrophobicContact CG-CE2 4.44Å; M34-Y36 HydrophobicContact CB-CE2 3.78Å; Y36-G55 CarbonylContact C-O 3.58Å; Y36-G55 VanDerWaalsContact CA-O 3.26Å; Y36-G55 WeakPolarHBondContact CA-O 3.49Å; Y36-E56 HydrophobicContact CD1-CB 3.95Å; Y36-E56 HydrophobicContact CD1-CG 4.3Å; Y36-E56 HydrophobicContact CE1-CB 3.74Å; Y36-E56 HydrophobicContact CE1-CG 3.82Å
37V95.2Very high92.5Very high4 Ų468.9 Ų68.92%0.02434%0.338CS..EExtended strand (participates in β ladder)trans-86.8142.1164.8-63.30000110.2I20 P39 I45 G55 V57 F83 P88 L89I20-V37 HydrophobicContact CG2-CG1 4.49Å; V37-P39 WeakPolarHBondContact O-CD 3.36Å; V37-I45 HydrophobicContact CG2-CG1 4.27Å; V37-G55 WeakPolarHBondContact CG2-O 3.49Å; V37-G55 PolarHBondContact N-O 3.3Å; V37-V57 HydrophobicContact CG1-CG2 3.95Å; V37-F83 HydrophobicContact CG1-CE2 4.42Å; V37-F83 HydrophobicContact CG1-CZ 4.1Å; V37-P88 HydrophobicContact CG1-CB 3.91Å; V37-P88 HydrophobicContact CG1-CG 4.24Å; V37-L89 HydrophobicContact CB-CD2 4.3Å; V37-L89 HydrophobicContact CB-CG 4.5Å; V37-L89 HydrophobicContact CG2-CD2 4Å
38K94Very high92.3Very high104 Ų10466.8 Ų66.845%0.45234%0.336SS..  trans-117.485-176.5-72.2-67.3-176.5-1760110.5P19 C21P19-K38 HydrophobicContact CB-CB 4.26Å; P19-K38 WeakPolarHBondContact CB-O 3.31Å; P19-K38 WeakPolarHBondContact CG-O 3.3Å; P19-K38 PolarHBondContact O-N 3.49Å; C21-K38 HydrophobicContact CB-CD 4.4Å; C21-K38 HydrophobicContact CB-CG 3.73Å
39P92.7Very high92.4Very high53 Ų5371.8 Ų71.834%0.34436%0.359SS..  trans-59.1142.5179.325.9-35.4000111.6V37 M43 I45 L89V37-P39 WeakPolarHBondContact O-CD 3.36Å; P39-M43 HydrophobicContact CB-CB 3.84Å; P39-I45 HydrophobicContact CB-CG1 4.45Å; P39-I45 HydrophobicContact CG-CD1 4.01Å; P39-I45 HydrophobicContact CG-CG1 3.93Å; P39-L89 HydrophobicContact CB-CD2 3.92Å
40T90.5Very high92.5Very high64 Ų6472.5 Ų72.539%0.39336%0.356SS..  trans-78176.3165.166.90000110.5E42 M43T40-E42 PolarHBondContact O-N 2.81Å; T40-E42 VanDerWaalsContact O-N 3.14Å; T40-M43 HydrophobicContact CG2-CE 4.41Å; T40-M43 HydrophobicContact CG2-SD 4.19Å; T40-M43 PolarHBondContact O-N 3.09Å; T40-M43 WeakPolarHBondContact OG1-CG 3.3Å
41R89.4Confident92.6Very high227 Ų22769.1 Ų69.186%0.85734%0.338SS*.THydrogen-bonded Turntrans-58.2-27.7178.9-69.2-176.3175.4-172-1.6113.4R92R41-R92 VanDerWaalsContact O-CD 3.29Å; R41-R92 WeakPolarHBondContact O-CD 3.29Å; R41-R92 PolarHBondContact O-NE 3.14Å
42E90Very high92.7Very high128 Ų12870 Ų7060%0.59834%0.344SS*.THydrogen-bonded Turntrans-94.32.2-178.1-64.6154.6100.200112.3T40 M91 R92T40-E42 PolarHBondContact O-N 2.81Å; T40-E42 VanDerWaalsContact O-N 3.14Å; E42-M91 CarbonylContact O-C 3.58Å; E42-M91 WeakPolarHBondContact O-CA 3.36Å; E42-R92 WeakPolarHBondContact O-CG 3.11Å; E42-R92 PolarHBondContact O-N 3.02Å
43M93.1Very high92.5Very high50 Ų5070.4 Ų70.425%0.24635%0.348CS..EExtended strand (participates in β ladder)trans-110.7157.3-178.2-65.9174.2-177.800111.7P39 T40 L89 A90 R92P39-M43 HydrophobicContact CB-CB 3.84Å; T40-M43 HydrophobicContact CG2-CE 4.41Å; T40-M43 HydrophobicContact CG2-SD 4.19Å; T40-M43 PolarHBondContact O-N 3.09Å; T40-M43 WeakPolarHBondContact OG1-CG 3.3Å; M43-L89 HydrophobicContact SD-CB 4.46Å; M43-L89 HydrophobicContact SD-CD1 3.87Å; M43-A90 CarbonylContact C-O 3.5Å; M43-A90 VanDerWaalsContact CA-O 3.28Å; M43-A90 WeakPolarHBondContact CA-O 3.47Å; M43-R92 PolarHBondContact O-NE 3.1Å; M43-R92 VanDerWaalsContact O-NE 3.1Å
44I92.8Very high92.4Very high73 Ų7376.3 Ų76.337%0.37438%0.379SS..EExtended strand (participates in β ladder)trans-128.3145.9170.355.1173.3000109.4L89 A90 R92I44-L89 WeakPolarHBondContact O-CA 3.4Å; I44-A90 HydrophobicContact CD1-CB 4.33Å; I44-A90 HydrophobicContact CG1-CB 3.95Å; I44-A90 WeakPolarHBondContact CG1-O 3.49Å; I44-A90 PolarHBondContact N-O 2.76Å; I44-A90 PolarHBondContact O-N 3.09Å; I44-R92 HydrophobicContact CG2-CG 3.59Å
45I94.4Very high92.2Very high47 Ų4772.9 Ų72.924%0.24136%0.362CS..EExtended strand (participates in β ladder)trans-77127.1175.9-65.5161.7000108.7V37 P39 I51 L89V37-I45 HydrophobicContact CG2-CG1 4.27Å; P39-I45 HydrophobicContact CB-CG1 4.45Å; P39-I45 HydrophobicContact CG-CD1 4.01Å; P39-I45 HydrophobicContact CG-CG1 3.93Å; I45-I51 HydrophobicContact CG2-CG2 3.95Å; I45-L89 HydrophobicContact CG1-CD2 3.92Å
46V92.6Very high92.2Very high51 Ų5176.4 Ų76.431%0.30938%0.379SS..  trans-93109.3172.8-1770000107.4P88 A90V46-P88 PolarHBondContact N-O 3.28Å; V46-A90 HydrophobicContact CG2-CB 3.58Å
47K91.3Very high92.1Very high141 Ų14173.8 Ų73.861%0.61337%0.369SS*.  trans-66.3140.7176-56.5-173.2-165.3-172.50109.4S53K47-S53 WeakPolarHBondContact CD-OG 3.42Å; K47-S53 WeakPolarHBondContact CE-OG 3.3Å; K47-S53 PolarHBondContact NZ-OG 3.27Å
48G88.4Confident92.1Very high40 Ų4076.2 Ų76.241%0.41238%0.383SS..BIsolated β-bridgetrans-156-174.5-179.600000112Y50 I51G48-Y50 PolarHBondContact O-N 2.79Å; G48-Y50 VanDerWaalsContact O-N 3.09Å; G48-I51 PolarHBondContact N-O 3.05Å; G48-I51 VanDerWaalsContact N-O 3.1Å; G48-I51 PolarHBondContact O-N 3.25Å; G48-I51 VanDerWaalsContact O-O 3.1Å
49K89.8Confident92Very high178 Ų17871.3 Ų71.377%0.77436%0.362SS*.THydrogen-bonded Turntrans-55.2-31.3179.5-177.1177.3174.2-168.30113.2
50Y92Very high92Very high66 Ų6672.1 Ų72.126%0.25937%0.367SS..THydrogen-bonded Turntrans-114.21.2-174.5-51-61.3000113.6G48 V57 T58 I59 P60 L82G48-Y50 PolarHBondContact O-N 2.79Å; G48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-V57 CarbonylContact O-C 3.55Å; Y50-V57 WeakPolarHBondContact O-CA 3.4Å; Y50-T58 WeakPolarHBondContact CA-O 3.4Å; Y50-T58 PolarHBondContact O-N 3.46Å; Y50-I59 HydrophobicContact CD1-CG2 4.11Å; Y50-I59 HydrophobicContact CG-CG2 3.96Å; Y50-P60 HydrophobicContact CE1-CG 4.25Å; Y50-L82 HydrophobicContact CD2-CD1 4.35Å; Y50-L82 HydrophobicContact CD2-CD2 4.22Å; Y50-L82 HydrophobicContact CE2-CD2 3.78Å
51I93.7Very high92.1Very high13 Ų1371.6 Ų71.67%0.06736%0.359CS..BIsolated β-bridgetrans-133.8121-170.8-57.4160.8000109.2I45 G48 E56 F83 P88I45-I51 HydrophobicContact CG2-CG2 3.95Å; G48-I51 PolarHBondContact N-O 3.05Å; G48-I51 VanDerWaalsContact N-O 3.1Å; G48-I51 PolarHBondContact O-N 3.25Å; G48-I51 VanDerWaalsContact O-O 3.1Å; I51-E56 WeakPolarHBondContact CA-O 3.5Å; I51-F83 HydrophobicContact CD1-CD1 4.47Å; I51-F83 HydrophobicContact CD1-CE1 4.02Å; I51-F83 HydrophobicContact CG1-CE1 4.38Å; I51-P88 VanDerWaalsContact CD1-CA 3.41Å; I51-P88 HydrophobicContact CD1-CB 3.31Å; I51-P88 HydrophobicContact CG1-CB 4.4Å
52S92.9Very high92.2Very high44 Ų4461.6 Ų61.631%0.30832%0.322SS..  trans-79166.1176-169.50000112.2D54 G55 E56S52-D54 PolarHBondContact O-N 3.2Å; S52-G55 PolarHBondContact O-N 3.1Å; S52-E56 PolarHBondContact N-O 3.03Å
53S89.4Confident92.3Very high58 Ų5863 Ų6341%0.40633%0.326SS..THydrogen-bonded Turntrans-54-34.9174.8-45.80000113.2K47 G55K47-S53 WeakPolarHBondContact CD-OG 3.42Å; K47-S53 WeakPolarHBondContact CE-OG 3.3Å; K47-S53 PolarHBondContact NZ-OG 3.27Å; S53-G55 PolarHBondContact O-N 3.26Å
54D90.8Very high92.2Very high128 Ų12865.9 Ų65.968%0.68434%0.343SS*.THydrogen-bonded Turntrans-84.81.2-177.1-50.1-66.8000112.5S52 E56S52-D54 PolarHBondContact O-N 3.2Å; D54-E56 VanDerWaalsContact C-N 3.33Å
55G92Very high92.3Very high0 Ų063.3 Ų63.30%033%0.328CS..  trans82.69.4-178.700000113.7Y36 V37 S52 S53Y36-G55 CarbonylContact C-O 3.58Å; Y36-G55 VanDerWaalsContact CA-O 3.26Å; Y36-G55 WeakPolarHBondContact CA-O 3.49Å; V37-G55 WeakPolarHBondContact CG2-O 3.49Å; V37-G55 PolarHBondContact N-O 3.3Å; S52-G55 PolarHBondContact O-N 3.1Å; S53-G55 PolarHBondContact O-N 3.26Å
56E95.1Very high92.2Very high77 Ų7767 Ų6736%0.3634%0.343SS..EExtended strand (participates in β ladder)trans-67.4132.7171.6-170.1-178.6161.600110.8Y36 I51 S52 D54Y36-E56 HydrophobicContact CD1-CB 3.95Å; Y36-E56 HydrophobicContact CD1-CG 4.3Å; Y36-E56 HydrophobicContact CE1-CB 3.74Å; Y36-E56 HydrophobicContact CE1-CG 3.82Å; I51-E56 WeakPolarHBondContact CA-O 3.5Å; S52-E56 PolarHBondContact N-O 3.03Å; D54-E56 VanDerWaalsContact C-N 3.33Å
57V95.1Very high91.9Very high3 Ų370.9 Ų70.92%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-98.7112.9179.4-177.90000109.1C35 V37 Y50 I59 L62 M79 F83C35-V57 HydrophobicContact CB-CB 4.06Å; C35-V57 PolarHBondContact O-N 3.08Å; V37-V57 HydrophobicContact CG1-CG2 3.95Å; Y50-V57 CarbonylContact O-C 3.55Å; Y50-V57 WeakPolarHBondContact O-CA 3.4Å; V57-I59 HydrophobicContact CG1-CG2 3.92Å; V57-L62 WeakPolarHBondContact O-CD1 3.3Å; V57-M79 HydrophobicContact CB-CE 4.25Å; V57-M79 HydrophobicContact CG1-CE 3.77Å; V57-F83 HydrophobicContact CG1-CZ 4.4Å; V57-F83 HydrophobicContact CG2-CZ 4.1Å
58T93.5Very high91.6Very high55 Ų5567.6 Ų67.634%0.33736%0.362SS..  trans-11890.8179.8-45.60000109.9Y50Y50-T58 WeakPolarHBondContact CA-O 3.4Å; Y50-T58 PolarHBondContact O-N 3.46Å
59I93.1Very high91.6Very high1 Ų173.1 Ų73.11%0.00538%0.377CS..  trans-106.8154.5179.557.8171.1000111.4Y50 V57 Y61 L62 K63 L75 V78 M79 L82Y50-I59 HydrophobicContact CD1-CG2 4.11Å; Y50-I59 HydrophobicContact CG-CG2 3.96Å; V57-I59 HydrophobicContact CG1-CG2 3.92Å; I59-Y61 PolarHBondContact O-N 3.39Å; I59-L62 HydrophobicContact CD1-CG 4.44Å; I59-L62 HydrophobicContact CG1-CB 4.23Å; I59-L62 HydrophobicContact CG1-CD1 3.89Å; I59-L62 HydrophobicContact CG1-CG 3.82Å; I59-L62 PolarHBondContact O-N 2.93Å; I59-K63 PolarHBondContact O-N 3.47Å; I59-L75 HydrophobicContact CD1-CD1 3.64Å; I59-L75 HydrophobicContact CG1-CD1 4.44Å; I59-V78 HydrophobicContact CD1-CG1 3.94Å; I59-M79 HydrophobicContact CD1-CE 4.37Å; I59-M79 HydrophobicContact CD1-CG 4.23Å; I59-L82 HydrophobicContact CB-CD1 4.17Å; I59-L82 HydrophobicContact CD1-CD1 4.47Å; I59-L82 HydrophobicContact CG2-CD1 3.44Å; I59-L82 VanDerWaalsContact CG2-CD1 3.44Å
60P92.4Very high91.7Very high70 Ų7065.5 Ų65.546%0.45535%0.346SS..Hα-helixtrans-53.7-37.8178.5-26.735.2000113.3Y50 L62 K63 D64Y50-P60 HydrophobicContact CE1-CG 4.25Å; P60-L62 PolarHBondContact O-N 2.89Å; P60-K63 WeakPolarHBondContact O-CB 3.35Å; P60-K63 PolarHBondContact O-N 3.36Å; P60-D64 PolarHBondContact O-N 3.36Å
61Y92.2Very high91.7Very high54 Ų5466.4 Ų66.421%0.21236%0.355CS..Hα-helixtrans-59.1-32.5178.1-170.4-88.4000113.8I59 W65 C70 D71 S74 L75 V78I59-Y61 PolarHBondContact O-N 3.39Å; Y61-W65 HydrophobicContact CD1-CE3 4.42Å; Y61-W65 HydrophobicContact CE1-CE3 4.03Å; Y61-W65 AromaticContact CE1-CZ3 3.89Å; Y61-W65 HydrophobicContact CE1-CZ3 3.89Å; Y61-C70 HydrophobicContact CE1-CB 4.07Å; Y61-C70 VanDerWaalsContact OH-CA 3.27Å; Y61-C70 WeakPolarHBondContact OH-CA 3.4Å; Y61-D71 PolarHBondContact OH-N 3.08Å; Y61-D71 PolarHBondContact OH-O 3.23Å; Y61-S74 VanDerWaalsContact OH-CB 3.23Å; Y61-S74 WeakPolarHBondContact OH-CB 3.39Å; Y61-L75 HydrophobicContact CD1-CB 4.11Å; Y61-L75 HydrophobicContact CD1-CD1 3.81Å; Y61-L75 HydrophobicContact CE1-CB 3.78Å; Y61-L75 HydrophobicContact CE1-CD1 4.33Å; Y61-V78 HydrophobicContact CD2-CG2 4.41Å
62L92.1Very high91.6Very high17 Ų1767.5 Ų67.59%0.08936%0.361CS..Hα-helixtrans-76.6-32.2174.2-73.6171.6000112.1P32 P33 C35 V57 I59 P60 W65 L75 M79P32-L62 HydrophobicContact CB-CD2 4.11Å; P33-L62 HydrophobicContact CG-CD2 4.26Å; P33-L62 WeakPolarHBondContact O-CD2 3.32Å; C35-L62 HydrophobicContact CB-CD1 4.33Å; V57-L62 WeakPolarHBondContact O-CD1 3.3Å; I59-L62 HydrophobicContact CD1-CG 4.44Å; I59-L62 HydrophobicContact CG1-CB 4.23Å; I59-L62 HydrophobicContact CG1-CD1 3.89Å; I59-L62 HydrophobicContact CG1-CG 3.82Å; I59-L62 PolarHBondContact O-N 2.93Å; P60-L62 PolarHBondContact O-N 2.89Å; L62-W65 HydrophobicContact CD2-CE3 4.48Å; L62-W65 WeakPolarHBondContact O-CB 3.04Å; L62-L75 HydrophobicContact CD1-CD1 4.39Å; L62-L75 HydrophobicContact CD2-CD1 3.74Å; L62-L75 HydrophobicContact CD2-CD2 3.77Å; L62-L75 HydrophobicContact CD2-CG 4.45Å; L62-L75 HydrophobicContact CG-CD1 3.83Å; L62-M79 HydrophobicContact CD1-CE 4.34Å
63K90.8Very high91.5Very high156 Ų15669.2 Ų69.268%0.67837%0.373SS*.Hα-helixtrans-69.4-39.2179-62.8-174.9-180-175.30111.9I59 P60 W65I59-K63 PolarHBondContact O-N 3.47Å; P60-K63 WeakPolarHBondContact O-CB 3.35Å; P60-K63 PolarHBondContact O-N 3.36Å; K63-W65 VanDerWaalsContact C-N 3.33Å
64D92.5Very high91.7Very high111 Ų11168.6 Ų68.659%0.59437%0.368SS*.THydrogen-bonded Turntrans-95.923.1179.8-68.3-64000113P60 K66P60-D64 PolarHBondContact O-N 3.36Å; D64-K66 PolarHBondContact O-N 2.96Å
65W93.3Very high91.9Very high19 Ų1962.5 Ų62.57%0.07234%0.336CS..  trans-60123.9-176.7-178.9-84.7000112.1Y28 P29 P32 Y61 L62 K63 C70 L75Y28-W65 HydrophobicContact CD2-CZ2 4.47Å; Y28-W65 HydrophobicContact CE2-CH2 4.11Å; Y28-W65 AromaticContact CE2-CZ2 3.65Å; Y28-W65 HydrophobicContact CE2-CZ2 3.65Å; P29-W65 PolarHBondContact O-NE1 3.45Å; P32-W65 HydrophobicContact CB-CB 3.64Å; P32-W65 HydrophobicContact CB-CD2 4.08Å; P32-W65 HydrophobicContact CB-CG 3.68Å; P32-W65 HydrophobicContact CG-CB 4.17Å; P32-W65 HydrophobicContact CG-CG 4.47Å; Y61-W65 HydrophobicContact CD1-CE3 4.42Å; Y61-W65 HydrophobicContact CE1-CE3 4.03Å; Y61-W65 AromaticContact CE1-CZ3 3.89Å; Y61-W65 HydrophobicContact CE1-CZ3 3.89Å; L62-W65 HydrophobicContact CD2-CE3 4.48Å; L62-W65 WeakPolarHBondContact O-CB 3.04Å; K63-W65 VanDerWaalsContact C-N 3.33Å; W65-C70 HydrophobicContact CD2-CB 3.66Å; W65-C70 HydrophobicContact CE3-CB 3.54Å; W65-C70 HydrophobicContact CG-CB 4.25Å; W65-C70 HydrophobicContact CH2-CB 4.16Å; W65-C70 HydrophobicContact CZ2-CB 4.26Å; W65-C70 HydrophobicContact CZ3-CB 3.82Å; W65-L75 HydrophobicContact CZ3-CB 4.39Å; W65-L75 HydrophobicContact CZ3-CD2 4.19Å
66K92.4Very high92Very high126 Ų12664.5 Ų64.555%0.54835%0.346SS..  trans-132124.9177.5-69.6176.1-172.2174.20110.5D64 G68 Q69 C70D64-K66 PolarHBondContact O-N 2.96Å; K66-G68 PolarHBondContact O-N 2.98Å; K66-Q69 HydrophobicContact CB-CB 4.36Å; K66-Q69 PolarHBondContact O-N 3.24Å; K66-Q69 VanDerWaalsContact O-N 3.08Å; K66-C70 PolarHBondContact N-SG 3.26Å; K66-C70 PolarHBondContact O-N 3.03Å
67K87.1Confident92Very high131 Ų13167 Ų6757%0.5736%0.358SS*.BIsolated β-bridgetrans-54.8130.6174.8179.3177172.9-170.60110.8P29 N30 Q69P29-K67 HydrophobicContact CG-CD 4.14Å; P29-K67 HydrophobicContact CG-CG 4.19Å; N30-K67 WeakPolarHBondContact OD1-CD 3.35Å; N30-K67 PolarHBondContact OD1-NZ 2.97Å; K67-Q69 VanDerWaalsContact C-N 3.27Å; K67-Q69 PolarHBondContact O-N 2.99Å
68G85.9Confident91.9Very high73 Ų7369.1 Ų69.175%0.75337%0.371SS*.THydrogen-bonded Turntrans83.9-7.1179.300000114.8K66K66-G68 PolarHBondContact O-N 2.98Å
69Q87.6Confident92Very high156 Ų15666.6 Ų66.673%0.72936%0.355SS*.THydrogen-bonded Turntrans-116.6-27.4168.9-63.6-13962.100112.4K66 K67K66-Q69 HydrophobicContact CB-CB 4.36Å; K66-Q69 PolarHBondContact O-N 3.24Å; K66-Q69 VanDerWaalsContact O-N 3.08Å; K67-Q69 VanDerWaalsContact C-N 3.27Å; K67-Q69 PolarHBondContact O-N 2.99Å
70C91.2Very high92Very high17 Ų1767.8 Ų67.812%0.11537%0.365CS..BIsolated β-bridgetrans-106.3127.3177.7-61.90000111.2Y61 W65 K66Y61-C70 HydrophobicContact CE1-CB 4.07Å; Y61-C70 VanDerWaalsContact OH-CA 3.27Å; Y61-C70 WeakPolarHBondContact OH-CA 3.4Å; W65-C70 HydrophobicContact CD2-CB 3.66Å; W65-C70 HydrophobicContact CE3-CB 3.54Å; W65-C70 HydrophobicContact CG-CB 4.25Å; W65-C70 HydrophobicContact CH2-CB 4.16Å; W65-C70 HydrophobicContact CZ2-CB 4.26Å; W65-C70 HydrophobicContact CZ3-CB 3.82Å; K66-C70 PolarHBondContact N-SG 3.26Å; K66-C70 PolarHBondContact O-N 3.03Å
71D91.6Very high92.1Very high85 Ų8569.4 Ų69.446%0.45537%0.369SS..  trans-114.3154.3175.1-62.1-67.1000112Y61 S74 L75Y61-D71 PolarHBondContact OH-N 3.08Å; Y61-D71 PolarHBondContact OH-O 3.23Å; D71-S74 PolarHBondContact O-N 2.82Å; D71-L75 WeakPolarHBondContact O-CB 3.35Å; D71-L75 PolarHBondContact O-N 3.1Å
72L91.6Very high92.1Very high37 Ų3768.3 Ų68.319%0.19437%0.366CS..Hα-helixtrans-65.3-38.1174.9179.360.9000111.9L3 V22 F24 L75 L76L3-L72 HydrophobicContact CD2-CD2 4.2Å; V22-L72 HydrophobicContact CG1-CD1 4.15Å; F24-L72 HydrophobicContact CE1-CD2 4.16Å; F24-L72 HydrophobicContact CZ-CD2 3.93Å; L72-L75 HydrophobicContact CD1-CD2 4.03Å; L72-L75 WeakPolarHBondContact O-CB 3.38Å; L72-L75 PolarHBondContact O-N 2.9Å; L72-L76 HydrophobicContact CD1-CG 4.4Å; L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.21Å
73S92.3Very high92.2Very high80 Ų8067.7 Ų67.756%0.55936%0.363SS*.Hα-helixtrans-60.2-48.617647.40000111.3L75 L76 Q77S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 3Å; S73-L76 PolarHBondContact O-N 2.75Å; S73-Q77 PolarHBondContact O-N 3.35Å
74S93.6Very high92.3Very high44 Ų4461.3 Ų61.331%0.30834%0.341SS..Hα-helixtrans-61.6-41176.1-59.80000111.7Y61 D71 L76 Q77 V78Y61-S74 VanDerWaalsContact OH-CB 3.23Å; Y61-S74 WeakPolarHBondContact OH-CB 3.39Å; D71-S74 PolarHBondContact O-N 2.82Å; S74-L76 PolarHBondContact O-N 2.73Å; S74-Q77 PolarHBondContact O-N 2.82Å; S74-V78 VanDerWaalsContact O-CG2 3.3Å; S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.02Å
75L94Very high92.2Very high0 Ų062.6 Ų62.60%034%0.344CS..Hα-helixtrans-56.8-49.2173.4171.961.8000111.9P33 I59 Y61 L62 W65 D71 L72 S73 Q77 V78 M79P33-L75 HydrophobicContact CG-CD2 3.72Å; I59-L75 HydrophobicContact CD1-CD1 3.64Å; I59-L75 HydrophobicContact CG1-CD1 4.44Å; Y61-L75 HydrophobicContact CD1-CB 4.11Å; Y61-L75 HydrophobicContact CD1-CD1 3.81Å; Y61-L75 HydrophobicContact CE1-CB 3.78Å; Y61-L75 HydrophobicContact CE1-CD1 4.33Å; L62-L75 HydrophobicContact CD1-CD1 4.39Å; L62-L75 HydrophobicContact CD2-CD1 3.74Å; L62-L75 HydrophobicContact CD2-CD2 3.77Å; L62-L75 HydrophobicContact CD2-CG 4.45Å; L62-L75 HydrophobicContact CG-CD1 3.83Å; W65-L75 HydrophobicContact CZ3-CB 4.39Å; W65-L75 HydrophobicContact CZ3-CD2 4.19Å; D71-L75 WeakPolarHBondContact O-CB 3.35Å; D71-L75 PolarHBondContact O-N 3.1Å; L72-L75 HydrophobicContact CD1-CD2 4.03Å; L72-L75 WeakPolarHBondContact O-CB 3.38Å; L72-L75 PolarHBondContact O-N 2.9Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 3Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 2.86Å; L75-V78 PolarHBondContact O-N 3.16Å; L75-M79 HydrophobicContact CD1-CE 3.65Å; L75-M79 HydrophobicContact CD2-CE 4.43Å; L75-M79 HydrophobicContact CG-CE 4.01Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 2.87Å
76L94.2Very high92.1Very high42 Ų4265.9 Ų65.922%0.2237%0.366CS..Hα-helixtrans-64.5-37.1179.6-67.5175.9000112I7 I20 L72 S73 S74 M79 A80I7-L76 HydrophobicContact CG2-CD2 4.21Å; I20-L76 HydrophobicContact CD1-CD2 3.31Å; L72-L76 HydrophobicContact CD1-CG 4.4Å; L72-L76 HydrophobicContact CG-CD1 4.43Å; L72-L76 VanDerWaalsContact O-CG 3.3Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 3.21Å; S73-L76 PolarHBondContact O-N 2.75Å; S74-L76 PolarHBondContact O-N 2.73Å; L76-M79 WeakPolarHBondContact O-CB 3.34Å; L76-M79 PolarHBondContact O-N 3.38Å; L76-A80 PolarHBondContact O-N 2.79Å
77Q94.5Very high92Very high131 Ų13161.3 Ų61.361%0.61235%0.349SS*.Hα-helixtrans-67-42.8176.7-170.4171.7-14.500111.7S73 S74 L75 M79 A80 I81S73-Q77 PolarHBondContact O-N 3.35Å; S74-Q77 PolarHBondContact O-N 2.82Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 2.86Å; Q77-M79 VanDerWaalsContact C-N 3.32Å; Q77-M79 PolarHBondContact O-N 2.78Å; Q77-A80 PolarHBondContact O-N 2.86Å; Q77-I81 HydrophobicContact CG-CD1 4.48Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 2.83Å; Q77-I81 VanDerWaalsContact O-N 3.08Å
78V94.6Very high92.3Very high47 Ų4755.1 Ų55.129%0.28532%0.322SS..Hα-helixtrans-60.6-43.1173.3172.60000110.7I59 Y61 S74 L75 A80 I81 L82I59-V78 HydrophobicContact CD1-CG1 3.94Å; Y61-V78 HydrophobicContact CD2-CG2 4.41Å; S74-V78 VanDerWaalsContact O-CG2 3.3Å; S74-V78 WeakPolarHBondContact O-CG2 3.47Å; S74-V78 PolarHBondContact O-N 3.02Å; L75-V78 PolarHBondContact O-N 3.16Å; V78-A80 PolarHBondContact O-N 2.77Å; V78-I81 PolarHBondContact O-N 2.82Å; V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 4.35Å; V78-L82 VanDerWaalsContact O-CG 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.26Å; V78-L82 PolarHBondContact O-N 3.02Å
79M94.3Very high92.6Very high2 Ų252.7 Ų52.71%0.0129%0.292CS..Hα-helixtrans-59.8-44.6174.5-73.8-178.5179.900112.2I7 C35 V57 I59 L62 L75 L76 Q77 I81 L82 F83I7-M79 HydrophobicContact CD1-CB 4.02Å; C35-M79 HydrophobicContact CB-CE 3.37Å; C35-M79 WeakPolarHBondContact SG-CE 2.92Å; V57-M79 HydrophobicContact CB-CE 4.25Å; V57-M79 HydrophobicContact CG1-CE 3.77Å; I59-M79 HydrophobicContact CD1-CE 4.37Å; I59-M79 HydrophobicContact CD1-CG 4.23Å; L62-M79 HydrophobicContact CD1-CE 4.34Å; L75-M79 HydrophobicContact CD1-CE 3.65Å; L75-M79 HydrophobicContact CD2-CE 4.43Å; L75-M79 HydrophobicContact CG-CE 4.01Å; L75-M79 WeakPolarHBondContact O-CG 3.44Å; L75-M79 PolarHBondContact O-N 2.87Å; L76-M79 WeakPolarHBondContact O-CB 3.34Å; L76-M79 PolarHBondContact O-N 3.38Å; Q77-M79 VanDerWaalsContact C-N 3.32Å; Q77-M79 PolarHBondContact O-N 2.78Å; M79-I81 VanDerWaalsContact C-N 3.31Å; M79-I81 PolarHBondContact O-N 2.85Å; M79-L82 PolarHBondContact O-N 3.43Å; M79-F83 HydrophobicContact CB-CD2 4.37Å; M79-F83 HydrophobicContact CB-CE2 4.02Å; M79-F83 HydrophobicContact CB-CZ 4.33Å; M79-F83 HydrophobicContact CG-CZ 4.48Å; M79-F83 VanDerWaalsContact O-CB 3.3Å; M79-F83 WeakPolarHBondContact O-CB 3.2Å; M79-F83 WeakPolarHBondContact O-CD2 3.25Å; M79-F83 WeakPolarHBondContact O-CG 3.39Å; M79-F83 PolarHBondContact O-N 2.78Å
80A94.3Very high92.8Very high26 Ų2647 Ų4722%0.21527%0.271CS..Hα-helixtrans-61.5-39179.700000112.5V9 L76 Q77 V78 G84V9-A80 HydrophobicContact CG2-CB 4.33Å; L76-A80 PolarHBondContact O-N 2.79Å; Q77-A80 PolarHBondContact O-N 2.86Å; V78-A80 PolarHBondContact O-N 2.77Å; A80-G84 PolarHBondContact O-N 2.93Å; A80-G84 VanDerWaalsContact O-N 3.08Å
81I93.6Very high92.8Very high104 Ų10452.8 Ų52.853%0.53330%0.299SS..Hα-helixtrans-65.5-51.4175.5-65163.4000110.5Q77 V78 M79 F83 G84 E85Q77-I81 HydrophobicContact CG-CD1 4.48Å; Q77-I81 WeakPolarHBondContact O-CG1 3.33Å; Q77-I81 PolarHBondContact O-N 2.83Å; Q77-I81 VanDerWaalsContact O-N 3.08Å; V78-I81 PolarHBondContact O-N 2.82Å; M79-I81 VanDerWaalsContact C-N 3.31Å; M79-I81 PolarHBondContact O-N 2.85Å; I81-F83 VanDerWaalsContact C-N 3.31Å; I81-F83 PolarHBondContact O-N 3.19Å; I81-G84 WeakPolarHBondContact O-CA 3.49Å; I81-G84 PolarHBondContact O-N 2.97Å; I81-E85 PolarHBondContact O-N 3.04Å
82L93.1Very high92.6Very high30 Ų3055.6 Ų55.616%0.15730%0.303CS..Hα-helixtrans-61.2-40.3-178.4-69.2173.4000112.3Y50 I59 V78 M79 G84 E85 V86Y50-L82 HydrophobicContact CD2-CD1 4.35Å; Y50-L82 HydrophobicContact CD2-CD2 4.22Å; Y50-L82 HydrophobicContact CE2-CD2 3.78Å; I59-L82 HydrophobicContact CB-CD1 4.17Å; I59-L82 HydrophobicContact CD1-CD1 4.47Å; I59-L82 HydrophobicContact CG2-CD1 3.44Å; I59-L82 VanDerWaalsContact CG2-CD1 3.44Å; V78-L82 HydrophobicContact CG1-CD1 3.89Å; V78-L82 HydrophobicContact CG1-CG 4.35Å; V78-L82 VanDerWaalsContact O-CG 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.26Å; V78-L82 PolarHBondContact O-N 3.02Å; M79-L82 PolarHBondContact O-N 3.43Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 3.43Å; L82-E85 PolarHBondContact O-N 2.89Å; L82-V86 PolarHBondContact O-N 2.83Å
83F93.4Very high92.1Very high4 Ų459 Ų592%0.01833%0.327CS..Hα-helixtrans-71.8-22.6177.1-63.6-16000112.8I7 V9 I18 I20 V37 I51 V57 M79 I81 E85 V86 P87 P88I7-F83 HydrophobicContact CD1-CD2 3.79Å; I7-F83 HydrophobicContact CD1-CE2 3.89Å; V9-F83 HydrophobicContact CB-CB 4.46Å; V9-F83 HydrophobicContact CG1-CB 3.74Å; V9-F83 HydrophobicContact CG2-CB 3.95Å; V9-F83 HydrophobicContact CG2-CD2 4.32Å; I18-F83 HydrophobicContact CD1-CB 3.89Å; I18-F83 HydrophobicContact CD1-CD2 4.09Å; I18-F83 HydrophobicContact CD1-CG 4.28Å; I18-F83 HydrophobicContact CG2-CD2 4.33Å; I18-F83 HydrophobicContact CG2-CE2 4.44Å; I20-F83 HydrophobicContact CG2-CE2 4.3Å; V37-F83 HydrophobicContact CG1-CE2 4.42Å; V37-F83 HydrophobicContact CG1-CZ 4.1Å; I51-F83 HydrophobicContact CD1-CD1 4.47Å; I51-F83 HydrophobicContact CD1-CE1 4.02Å; I51-F83 HydrophobicContact CG1-CE1 4.38Å; V57-F83 HydrophobicContact CG1-CZ 4.4Å; V57-F83 HydrophobicContact CG2-CZ 4.1Å; M79-F83 HydrophobicContact CB-CD2 4.37Å; M79-F83 HydrophobicContact CB-CE2 4.02Å; M79-F83 HydrophobicContact CB-CZ 4.33Å; M79-F83 HydrophobicContact CG-CZ 4.48Å; M79-F83 VanDerWaalsContact O-CB 3.3Å; M79-F83 WeakPolarHBondContact O-CB 3.2Å; M79-F83 WeakPolarHBondContact O-CD2 3.25Å; M79-F83 WeakPolarHBondContact O-CG 3.39Å; M79-F83 PolarHBondContact O-N 2.78Å; I81-F83 VanDerWaalsContact C-N 3.31Å; I81-F83 PolarHBondContact O-N 3.19Å; F83-E85 VanDerWaalsContact C-N 3.33Å; F83-V86 WeakPolarHBondContact CA-O 3.28Å; F83-V86 CarbonylContact O-C 3.46Å; F83-P87 WeakPolarHBondContact O-CA 3.45Å; F83-P88 HydrophobicContact CB-CG 4.28Å; F83-P88 HydrophobicContact CD1-CB 4.05Å; F83-P88 HydrophobicContact CD1-CG 3.73Å; F83-P88 HydrophobicContact CD2-CG 3.83Å; F83-P88 HydrophobicContact CE1-CB 3.92Å; F83-P88 HydrophobicContact CE1-CG 3.93Å; F83-P88 HydrophobicContact CE2-CG 4.02Å; F83-P88 HydrophobicContact CG-CB 4.5Å; F83-P88 HydrophobicContact CG-CG 3.69Å; F83-P88 HydrophobicContact CZ-CB 4.24Å; F83-P88 HydrophobicContact CZ-CG 4.07Å
84G92.4Very high91.1Very high22 Ų2261.2 Ų61.223%0.22733%0.333CS..Hα-helixtrans-73.9-25173.200000113V9 V10 F11 A80 I81 L82V9-G84 VanDerWaalsContact CG1-N 3.31Å; V10-G84 VanDerWaalsContact O-CA 3.23Å; V10-G84 WeakPolarHBondContact O-CA 3.05Å; F11-G84 WeakPolarHBondContact CD2-O 3.43Å; A80-G84 PolarHBondContact O-N 2.93Å; A80-G84 VanDerWaalsContact O-N 3.08Å; I81-G84 WeakPolarHBondContact O-CA 3.49Å; I81-G84 PolarHBondContact O-N 2.97Å; L82-G84 VanDerWaalsContact C-N 3.27Å; L82-G84 PolarHBondContact O-N 3.43Å
85E91.4Very high89.2Confident138 Ų13864.2 Ų64.265%0.64535%0.351SS*.Hα-helixtrans-83-50.4171.2-63.9-174.295.400111.5I81 L82 F83I81-E85 PolarHBondContact O-N 3.04Å; L82-E85 PolarHBondContact O-N 2.89Å; F83-E85 VanDerWaalsContact C-N 3.33Å
86V90.3Very high87.5Confident89 Ų8972.2 Ų72.254%0.53939%0.389SS..SBendtrans-132.5104.7-179.4-176.70000109.5L82 F83L82-V86 PolarHBondContact O-N 2.83Å; F83-V86 WeakPolarHBondContact CA-O 3.28Å; F83-V86 CarbonylContact O-C 3.46Å
87P90.9Very high85.3Confident30 Ų3076.1 Ų76.120%0.19542%0.416CS..  trans-62.3132.2-177.8-26.435.5000112.2F11 F83 L89F11-P87 HydrophobicContact CB-CG 4.17Å; F11-P87 HydrophobicContact CD1-CG 3.68Å; F11-P87 HydrophobicContact CD2-CG 3.26Å; F11-P87 HydrophobicContact CE1-CG 3.78Å; F11-P87 HydrophobicContact CE2-CG 3.4Å; F11-P87 VanDerWaalsContact CE2-CG 3.4Å; F11-P87 HydrophobicContact CG-CG 3.41Å; F11-P87 VanDerWaalsContact CG-CG 3.41Å; F11-P87 HydrophobicContact CZ-CG 3.65Å; F83-P87 WeakPolarHBondContact O-CA 3.45Å; P87-L89 PolarHBondContact O-N 2.96Å
88P92.8Very high83.2Confident0 Ų078.6 Ų78.60%043%0.428CS..SBendtrans-71.8-20.6179.227.9-36.6000113.9I18 V37 V46 I51 F83I18-P88 HydrophobicContact CD1-CG 3.65Å; I18-P88 HydrophobicContact CG2-CG 3.63Å; V37-P88 HydrophobicContact CG1-CB 3.91Å; V37-P88 HydrophobicContact CG1-CG 4.24Å; V46-P88 PolarHBondContact N-O 3.28Å; I51-P88 VanDerWaalsContact CD1-CA 3.41Å; I51-P88 HydrophobicContact CD1-CB 3.31Å; I51-P88 HydrophobicContact CG1-CB 4.4Å; F83-P88 HydrophobicContact CB-CG 4.28Å; F83-P88 HydrophobicContact CD1-CB 4.05Å; F83-P88 HydrophobicContact CD1-CG 3.73Å; F83-P88 HydrophobicContact CD2-CG 3.83Å; F83-P88 HydrophobicContact CE1-CB 3.92Å; F83-P88 HydrophobicContact CE1-CG 3.93Å; F83-P88 HydrophobicContact CE2-CG 4.02Å; F83-P88 HydrophobicContact CG-CB 4.5Å; F83-P88 HydrophobicContact CG-CG 3.69Å; F83-P88 HydrophobicContact CZ-CB 4.24Å; F83-P88 HydrophobicContact CZ-CG 4.07Å
89L93.3Very high81Confident22 Ų2282.6 Ų82.612%0.11544%0.444CS..EExtended strand (participates in β ladder)trans-130.4136.5-174.2-61.5177.1000108.6I18 P19 V37 P39 M43 I44 I45 P87I18-L89 HydrophobicContact CG2-CD1 4.06Å; P19-L89 HydrophobicContact CG-CD1 3.77Å; V37-L89 HydrophobicContact CB-CD2 4.3Å; V37-L89 HydrophobicContact CB-CG 4.5Å; V37-L89 HydrophobicContact CG2-CD2 4Å; P39-L89 HydrophobicContact CB-CD2 3.92Å; M43-L89 HydrophobicContact SD-CB 4.46Å; M43-L89 HydrophobicContact SD-CD1 3.87Å; I44-L89 WeakPolarHBondContact O-CA 3.4Å; I45-L89 HydrophobicContact CG1-CD2 3.92Å; P87-L89 PolarHBondContact O-N 2.96Å
90A91.4Very high78.6Confident36 Ų3686.8 Ų86.830%0.29848%0.479SS..EExtended strand (participates in β ladder)trans-116.3153.8169.300000109.4M43 I44 V46M43-A90 CarbonylContact C-O 3.5Å; M43-A90 VanDerWaalsContact CA-O 3.28Å; M43-A90 WeakPolarHBondContact CA-O 3.47Å; I44-A90 HydrophobicContact CD1-CB 4.33Å; I44-A90 HydrophobicContact CG1-CB 3.95Å; I44-A90 WeakPolarHBondContact CG1-O 3.49Å; I44-A90 PolarHBondContact N-O 2.76Å; I44-A90 PolarHBondContact O-N 3.09Å; V46-A90 HydrophobicContact CG2-CB 3.58Å
91M90.8Very high76.6Confident140 Ų14089.5 Ų89.569%0.6950%0.496SS*.EExtended strand (participates in β ladder)trans-70.5142.9169.1-69.3-172.171.200109.3E42E42-M91 CarbonylContact O-C 3.58Å; E42-M91 WeakPolarHBondContact O-CA 3.36Å
92R88.7Confident74.2Confident143 Ų14388.5 Ų88.554%0.5450%0.497SS..PPolyproline II helixtrans-58134.8168.6-73.2177.6-171.6-149.86.1107.9R41 E42 M43 I44 N94R41-R92 VanDerWaalsContact O-CD 3.29Å; R41-R92 WeakPolarHBondContact O-CD 3.29Å; R41-R92 PolarHBondContact O-NE 3.14Å; E42-R92 WeakPolarHBondContact O-CG 3.11Å; E42-R92 PolarHBondContact O-N 3.02Å; M43-R92 PolarHBondContact O-NE 3.1Å; M43-R92 VanDerWaalsContact O-NE 3.1Å; I44-R92 HydrophobicContact CG2-CG 3.59Å; R92-N94 PolarHBondContact O-N 2.93Å; R92-N94 VanDerWaalsContact O-N 3.09Å
93P80.6Confident71.8Confident109 Ų10997.4 Ų97.471%0.70853%0.529SS*.PPolyproline II helixtrans-57123166.424.9-30.6000106.5
94N70.5Confident69.8Low126 Ų126104.4 Ų104.467%0.67457%0.565SS**PPolyproline II helixtrans-57.8132.1164.5-166.735.3000105.3R92 E96R92-N94 PolarHBondContact O-N 2.93Å; R92-N94 VanDerWaalsContact O-N 3.09Å; N94-E96 PolarHBondContact O-N 2.75Å
95P55.4Low67.9Low107 Ų107108.8 Ų108.870%0.69558%0.58SS**  trans-58.799.9160.826-31.3000105.3
96E56.6Low66Low169 Ų169106.8 Ų106.879%0.7957%0.57SS**  trans-49.3129.8159.2-64.8176.878.900105N94 E98N94-E96 PolarHBondContact O-N 2.75Å; E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.79Å
97P49Very low64.4Low123 Ų123109.2 Ų109.280%0.79958%0.575SS**  trans-54.8110.1171.321.9-29.7000106.1Q99P97-Q99 PolarHBondContact O-N 2.64Å
98E49.4Very low62.2Low184 Ų184115.7 Ų115.786%0.8660%0.6SS**  trans-46.2107.5176.5176.9167.459.600108.1E96 A100E96-E98 VanDerWaalsContact C-N 3.33Å; E96-E98 PolarHBondContact O-N 2.79Å; E98-A100 PolarHBondContact O-N 2.9Å
99Q48.7Very low60.2Low131 Ų131121.6 Ų121.661%0.61263%0.627SS**  trans36.776.6148.2-66-87.22.100114.2P97 S101P97-Q99 PolarHBondContact O-N 2.64Å; Q99-S101 PolarHBondContact O-N 3.19Å; Q99-S101 PolarHBondContact OE1-OG 2.91Å
100A43.9Very low58.3Low90 Ų90126.2 Ų126.274%0.74467%0.669SS**SBendtrans-68.932.3155.800000112E98E98-A100 PolarHBondContact O-N 2.9Å
101S51.6Low56.6Low83 Ų83129.9 Ų129.958%0.5868%0.683SS**SBendtrans-137.327.5-163.331.30000114.5Q99Q99-S101 PolarHBondContact O-N 3.19Å; Q99-S101 PolarHBondContact OE1-OG 2.91Å
102C44.3Very low54.7Low82 Ų82125.3 Ų125.355%0.55467%0.672SS**SBendtrans-143.6-9.7164.6-148.90000116.6
103W42.6Very low53Low217 Ų217126.9 Ų126.982%0.82268%0.678SS**SBendtrans-103.9-13.5-174.7-57.899.2000114.8Q105W103-Q105 VanDerWaalsContact C-N 3.28Å; W103-Q105 PolarHBondContact O-N 3.46Å
104L50.7Low51.5Low151 Ų151130.4 Ų130.479%0.79168%0.678SS**THydrogen-bonded Turntrans-80.83-176.9-85.7153.8000114.7
105Q53.9Low50.6Low115 Ų115127.4 Ų127.454%0.53767%0.666SS.*THydrogen-bonded Turntrans-104-0-177.6-80.9178.3-18.500115.3W103W103-Q105 VanDerWaalsContact C-N 3.28Å; W103-Q105 PolarHBondContact O-N 3.46Å
106F51.3Low50.2Low96 Ų96128 Ų12842%0.42166%0.661SS.*EExtended strand (participates in β ladder)trans-98.697.8178.7-66.4-79.5000111M116F106-M116 HydrophobicContact CD1-CG 4.43Å; F106-M116 HydrophobicContact CE1-CG 3.71Å; F106-M116 HydrophobicContact CE1-SD 3.57Å; F106-M116 VanDerWaalsContact CE1-SD 3.57Å; F106-M116 HydrophobicContact CZ-CG 4.34Å; F106-M116 HydrophobicContact CZ-SD 3.57Å; F106-M116 VanDerWaalsContact CZ-SD 3.57Å
107H55.3Low50Low139 Ų139123.4 Ų123.464%0.64465%0.648SS**EExtended strand (participates in β ladder)trans-82.2121.7164-85.2-115.5000109.1E109H107-E109 PolarHBondContact O-N 2.95Å
108K45.1Very low50Low167 Ų167124.9 Ų124.973%0.72665%0.648SS**EExtended strand (participates in β ladder)trans-82.2108.4171.5179.2178.5173.6179.80108.4
109E50.4Low49.9Very low124 Ų124121.4 Ų121.458%0.57964%0.642SS**  trans-75.5154.4169.7-66.2-165.6118.100110.6H107 D111 G112H107-E109 PolarHBondContact O-N 2.95Å; E109-D111 PolarHBondContact O-N 2.75Å; E109-G112 PolarHBondContact O-N 3.17Å
110A53.2Low50Low119 Ų119124 Ų12498%0.98365%0.646SS**THydrogen-bonded Turntrans-60.4-14-171.200000114.7
111D55.7Low50.3Low113 Ų113123.7 Ų123.760%0.60465%0.652SS**THydrogen-bonded Turntrans-91.31.3179-167.8-115000113.7E109 R113E109-D111 PolarHBondContact O-N 2.75Å; D111-R113 VanDerWaalsContact C-N 3.34Å; D111-R113 PolarHBondContact O-N 3.2Å; D111-R113 IonicContact OD1-CZ 3.26Å; D111-R113 VanDerWaalsContact OD1-CZ 3.26Å; D111-R113 IonicContact OD1-NE 3.03Å; D111-R113 PolarHBondContact OD1-NE 3.32Å; D111-R113 IonicContact OD1-NH2 2.69Å; D111-R113 PolarHBondContact OD1-NH2 3.03Å
112G51.8Low50.4Low43 Ų43126.8 Ų126.844%0.44366%0.662SS.*SBendtrans80.38.4175.500000115.4E109E109-G112 PolarHBondContact O-N 3.17Å
113R52.3Low50.8Low177 Ų177126.7 Ų126.767%0.66868%0.675SS**  trans-87.3137169.3-83.6177.9-90.3-155.3-2111.2D111D111-R113 VanDerWaalsContact C-N 3.34Å; D111-R113 PolarHBondContact O-N 3.2Å; D111-R113 IonicContact OD1-CZ 3.26Å; D111-R113 VanDerWaalsContact OD1-CZ 3.26Å; D111-R113 IonicContact OD1-NE 3.03Å; D111-R113 PolarHBondContact OD1-NE 3.32Å; D111-R113 IonicContact OD1-NH2 2.69Å; D111-R113 PolarHBondContact OD1-NH2 3.03Å
114Y50.6Low50.7Low182 Ų182124.4 Ų124.471%0.71467%0.673SS**EExtended strand (participates in β ladder)trans-89.9114.7174.9-54.3-83.7000108.6
115C51.5Low50.3Low63 Ų63122.8 Ų122.843%0.42667%0.672SS.*EExtended strand (participates in β ladder)trans-99.8130.5175.7-176.80000109.9
116M46.9Very low49.6Very low119 Ų119124.8 Ų124.859%0.58668%0.679SS**EExtended strand (participates in β ladder)trans-93.9106.5167.5-69.9-117.9-69.500108.2F106 L118F106-M116 HydrophobicContact CD1-CG 4.43Å; F106-M116 HydrophobicContact CE1-CG 3.71Å; F106-M116 HydrophobicContact CE1-SD 3.57Å; F106-M116 VanDerWaalsContact CE1-SD 3.57Å; F106-M116 HydrophobicContact CZ-CG 4.34Å; F106-M116 HydrophobicContact CZ-SD 3.57Å; F106-M116 VanDerWaalsContact CZ-SD 3.57Å; M116-L118 PolarHBondContact O-N 3.35Å
117S51.3Low49.1Very low73 Ų73128.6 Ų128.651%0.5170%0.698SS.*  trans-79.997.5171.721.20000109.8P119S117-P119 WeakPolarHBondContact O-CD 3.38Å
118L50.6Low48.4Very low154 Ų154130 Ų13081%0.80671%0.705SS**  trans-76.7116.4165.6-80.7154.3000108.6M116 R120M116-L118 PolarHBondContact O-N 3.35Å; L118-R120 PolarHBondContact O-N 3.33Å; L118-R120 VanDerWaalsContact O-N 3.17Å
119P46.2Very low48.3Very low112 Ų112130.3 Ų130.373%0.72771%0.708SS**  trans-68.6115.9173.726.9-30.5000108.9S117S117-P119 WeakPolarHBondContact O-CD 3.38Å
120R51.9Low47.4Very low185 Ų185130.7 Ų130.770%0.69872%0.715SS**  trans-71.3133.4167-138.1-173.8-161.5-171.40.4107.4L118 D122 G123L118-R120 PolarHBondContact O-N 3.33Å; L118-R120 VanDerWaalsContact O-N 3.17Å; R120-D122 PolarHBondContact O-N 3.41Å; R120-G123 PolarHBondContact O-N 3.03Å
121G50.3Low46.8Very low84 Ų84134.1 Ų134.187%0.86671%0.71SS**THydrogen-bonded Turntrans-62.515.1-172.300000117.7
122D52.8Low46Very low148 Ų148135.3 Ų135.379%0.79172%0.722SS**THydrogen-bonded Turntrans-131.815.1-174.9-122.4-91000114.3R120 Q124R120-D122 PolarHBondContact O-N 3.41Å; D122-Q124 PolarHBondContact O-N 2.97Å
123G51.5Low45.1Very low80 Ų80140 Ų14083%0.82574%0.737SS**  trans63.513.2162.400000117.8R120R120-G123 PolarHBondContact O-N 3.03Å
124Q40.9Very low44.4Very low169 Ų169140.7 Ų140.779%0.7977%0.767SS**  trans-114.3130.1178.9-151.8149.4-76.400111.8D122D122-Q124 PolarHBondContact O-N 2.97Å
125P42.1Very low44.1Very low117 Ų117138.7 Ų138.776%0.7677%0.769SS**  trans-69.2142.6179.725.9-31.6000111.8Q127P125-Q127 PolarHBondContact O-N 3.46Å
126F39.3Very low43.7Very low156 Ų156142.6 Ų142.668%0.68479%0.787SS**  trans-67.7119169.9-99.3-94.1000109.4H128F126-H128 PolarHBondContact O-N 2.69Å
127Q40.9Very low43.5Very low177 Ų177143.9 Ų143.983%0.82780%0.798SS**  trans-75.4112.3157.5-75.3-168.2-38.400107.4P125 E129P125-Q127 PolarHBondContact O-N 3.46Å; Q127-E129 PolarHBondContact O-N 3.43Å
128H41Very low43Very low169 Ų169148.1 Ų148.178%0.78282%0.815SS**  trans-91.684174.1-163.1-162.4000108.6F126F126-H128 PolarHBondContact O-N 2.69Å
129E42.4Very low42.6Very low172 Ų172147.8 Ų147.880%0.80482%0.816SS**  trans-116.997156.2-79.5-173.787.700107.4Q127Q127-E129 PolarHBondContact O-N 3.43Å
130N32.5Very low42.3Very low133 Ų133150.1 Ų150.171%0.71182%0.822SS**  trans-177121.4136.1463.8000111.6
131E40.2Very low41.6Very low191 Ų191147.6 Ų147.689%0.89383%0.831SS**  trans-50.4144.6167.9-57.7168.498.100111.6
132T39.9Very low41Very low138 Ų138152.5 Ų152.585%0.84783%0.828SS**  trans-139.9105.8142.9-45.40000109
133N32.6Very low40Very low141 Ų141152.9 Ų152.975%0.75483%0.831SS**  trans-49.1141.5168-178.9-63.3000112.2
134C36.8Very low39Very low192 Ų192159.5 Ų159.5100%1.29783%0.832SS**  trans-131.70151.5-76.20000107.6

Retrieved 134 of 134 residues in 41.1 ms (Link to these results)