A0A077Z265_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 A0A077Z265, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 200 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
1M39.9Very low72.1Confident243 Ų24398.1 Ų98.1100%1.19755%0.55SS*.  0113.30-82.9171165.200107.5A3M1-A3 PolarHBondContact O-N 2.84Å
2A47.5Very low73.7Confident101 Ų101100.1 Ų100.184%0.83555%0.551SS**PPolyproline II helixtrans-63.9133.2166.600000107.3
3A54.3Low75.1Confident81 Ų8196.4 Ų96.467%0.66953%0.528SS*.PPolyproline II helixtrans-54137.9172.100000108.2M1 M5M1-A3 PolarHBondContact O-N 2.84Å; A3-M5 PolarHBondContact O-N 3.2Å
4P61.5Low76.4Confident127 Ų12789.6 Ų89.683%0.82549%0.491SS*.PPolyproline II helixtrans-55.5116.1174.323.8-31.6000106.8D6P4-D6 PolarHBondContact O-N 3.23Å
5M67Low77.5Confident122 Ų12292.2 Ų92.260%0.60150%0.495SS*.PPolyproline II helixtrans-56.3130.4175.9-78.1-172.1174.600107.4A3 E7 L10A3-M5 PolarHBondContact O-N 3.2Å; M5-E7 PolarHBondContact O-N 3.39Å; M5-E7 VanDerWaalsContact O-N 3.14Å; M5-L10 HydrophobicContact CB-CD1 4.37Å; M5-L10 HydrophobicContact CB-CD2 4.32Å; M5-L10 HydrophobicContact CB-CG 4.32Å; M5-L10 HydrophobicContact SD-CD2 3.95Å
6D83.9Confident78.5Confident100 Ų10088.3 Ų88.354%0.53547%0.474SS..PPolyproline II helixtrans-56.6122.1178.5-165.1-56000108.6P4 N8 Y9 L10P4-D6 PolarHBondContact O-N 3.23Å; D6-N8 PolarHBondContact O-N 2.74Å; D6-N8 VanDerWaalsContact O-N 3.12Å; D6-N8 VanDerWaalsContact OD1-CB 3.26Å; D6-N8 WeakPolarHBondContact OD1-CB 3.36Å; D6-N8 PolarHBondContact OD1-N 2.87Å; D6-N8 PolarHBondContact OD1-ND2 3.46Å; D6-Y9 WeakPolarHBondContact O-CB 3.34Å; D6-Y9 PolarHBondContact O-N 3.21Å; D6-L10 PolarHBondContact O-N 3.42Å
7E84.5Confident79.3Confident81 Ų8188.2 Ų88.238%0.37947%0.473SS..Hα-helixtrans-56.5-32.3-177.8-67.6-175.4161.900111.2M5 Y9 L10 L11 I99 N122M5-E7 PolarHBondContact O-N 3.39Å; M5-E7 VanDerWaalsContact O-N 3.14Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 3.5Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 3.06Å; E7-L11 VanDerWaalsContact O-CG 3.24Å; E7-L11 WeakPolarHBondContact O-CG 3.41Å; E7-L11 PolarHBondContact O-N 3.03Å; E7-I99 HydrophobicContact CB-CG1 4.26Å; E7-I99 HydrophobicContact CG-CG1 4.48Å; E7-N122 HydrophobicContact CB-CB 4.25Å; E7-N122 VanDerWaalsContact OE2-CB 3.29Å; E7-N122 WeakPolarHBondContact OE2-CB 3.45Å; E7-N122 PolarHBondContact OE2-ND2 3.1Å
8N86.3Confident80Confident77 Ų7785.6 Ų85.641%0.41246%0.461SS..Hα-helixtrans-63.7-40.3177.1-63.1-75.1000111.6D6 L10 L11 E12D6-N8 PolarHBondContact O-N 2.74Å; D6-N8 VanDerWaalsContact O-N 3.12Å; D6-N8 VanDerWaalsContact OD1-CB 3.26Å; D6-N8 WeakPolarHBondContact OD1-CB 3.36Å; D6-N8 PolarHBondContact OD1-N 2.87Å; D6-N8 PolarHBondContact OD1-ND2 3.46Å; N8-L10 VanDerWaalsContact C-N 3.32Å; N8-L10 PolarHBondContact O-N 2.77Å; N8-L11 PolarHBondContact O-N 2.98Å; N8-E12 WeakPolarHBondContact O-CG 3.45Å; N8-E12 PolarHBondContact O-N 2.96Å
9Y87.1Confident80.6Confident133 Ų13385.3 Ų85.352%0.52246%0.463SS..Hα-helixtrans-62.2-41176179.7-104000111.4D6 E7 E12D6-Y9 WeakPolarHBondContact O-CB 3.34Å; D6-Y9 PolarHBondContact O-N 3.21Å; E7-Y9 VanDerWaalsContact C-N 3.32Å; E7-Y9 PolarHBondContact O-N 3.5Å; Y9-E12 PolarHBondContact O-N 3.49Å
10L88.9Confident81.2Confident13 Ų1385.1 Ų85.17%0.06846%0.461CS..Hα-helixtrans-63.3-44.8174.7-62.9178000111.2M5 D6 E7 N8 E12 Q13 T41 I99M5-L10 HydrophobicContact CB-CD1 4.37Å; M5-L10 HydrophobicContact CB-CD2 4.32Å; M5-L10 HydrophobicContact CB-CG 4.32Å; M5-L10 HydrophobicContact SD-CD2 3.95Å; D6-L10 PolarHBondContact O-N 3.42Å; E7-L10 WeakPolarHBondContact O-CB 3.37Å; E7-L10 PolarHBondContact O-N 3.06Å; N8-L10 VanDerWaalsContact C-N 3.32Å; N8-L10 PolarHBondContact O-N 2.77Å; L10-E12 PolarHBondContact O-N 3.38Å; L10-Q13 WeakPolarHBondContact O-CB 3.26Å; L10-Q13 PolarHBondContact O-N 2.94Å; L10-Q13 VanDerWaalsContact O-N 3.09Å; L10-T41 HydrophobicContact CB-CG2 3.88Å; L10-T41 HydrophobicContact CD2-CG2 4.14Å; L10-T41 WeakPolarHBondContact O-CG2 3.19Å; L10-I99 HydrophobicContact CB-CD1 3.7Å; L10-I99 HydrophobicContact CB-CG1 4.25Å; L10-I99 HydrophobicContact CD1-CD1 4.34Å; L10-I99 HydrophobicContact CD1-CG1 4.39Å
11L91.7Very high81.6Confident1 Ų181 Ų811%0.00544%0.439CS..Hα-helixtrans-63.4-29.3179.2-65.6172.2000112.8E7 N8 Q13 V14 V97 I99 N122 R124E7-L11 VanDerWaalsContact O-CG 3.24Å; E7-L11 WeakPolarHBondContact O-CG 3.41Å; E7-L11 PolarHBondContact O-N 3.03Å; N8-L11 PolarHBondContact O-N 2.98Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 2.92Å; L11-V14 PolarHBondContact O-N 3.28Å; L11-V97 HydrophobicContact CD2-CB 4.42Å; L11-V97 HydrophobicContact CD2-CG2 4.04Å; L11-I99 HydrophobicContact CD2-CD1 3.63Å; L11-I99 HydrophobicContact CD2-CG1 3.92Å; L11-I99 HydrophobicContact CG-CD1 4.07Å; L11-I99 HydrophobicContact CG-CG1 4.11Å; L11-N122 HydrophobicContact CD1-CB 4.41Å; L11-R124 HydrophobicContact CB-CB 3.85Å; L11-R124 HydrophobicContact CD1-CB 4.27Å; L11-R124 WeakPolarHBondContact O-CD 3.49Å; L11-R124 PolarHBondContact O-NH1 3.14Å
12E91.5Very high84Confident122 Ų12276.3 Ų76.357%0.5741%0.412SS*.Hα-helixtrans-65.9-30.5174.6-77.4-172.617300113.7N8 Y9 L10 V14 R124N8-E12 WeakPolarHBondContact O-CG 3.45Å; N8-E12 PolarHBondContact O-N 2.96Å; Y9-E12 PolarHBondContact O-N 3.49Å; L10-E12 PolarHBondContact O-N 3.38Å; E12-V14 PolarHBondContact O-N 3.2Å; E12-R124 VanDerWaalsContact C-NH1 3.33Å; E12-R124 PolarHBondContact O-NH1 3.42Å
13Q91.9Very high85.9Confident52 Ų5271.7 Ų71.724%0.24337%0.373CS..THydrogen-bonded Turntrans-75.5-9.6178.7-60.7-17321.100113.8L10 L11 K15 L40 T41L10-Q13 WeakPolarHBondContact O-CB 3.26Å; L10-Q13 PolarHBondContact O-N 2.94Å; L10-Q13 VanDerWaalsContact O-N 3.09Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 2.92Å; Q13-K15 PolarHBondContact O-N 3.18Å; Q13-L40 HydrophobicContact CB-CB 4.28Å; Q13-L40 PolarHBondContact OE1-O 3.49Å; Q13-T41 HydrophobicContact CB-CG2 3.82Å
14V93.6Very high87.4Confident2 Ų271.1 Ų71.11%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-73.3117.8171.2-173.80000108.8L11 E12 I37 T38 V45 V97 R124L11-V14 PolarHBondContact O-N 3.28Å; E12-V14 PolarHBondContact O-N 3.2Å; V14-I37 HydrophobicContact CG1-CG2 3.63Å; V14-T38 WeakPolarHBondContact CA-O 3.45Å; V14-V45 HydrophobicContact CG2-CG1 3.99Å; V14-V45 HydrophobicContact CG2-CG2 4.02Å; V14-V97 HydrophobicContact CG1-CG1 4.18Å; V14-R124 PolarHBondContact O-NH1 3.35Å
15K93.4Very high88.4Confident128 Ų12865.1 Ų65.156%0.55732%0.317SS*.EExtended strand (participates in β ladder)trans-112.6146.7-177-66.7-169-179.8-1790111.6Q13 T38 L40Q13-K15 PolarHBondContact O-N 3.18Å; K15-T38 PolarHBondContact N-O 2.89Å; K15-T38 PolarHBondContact O-N 3.15Å; K15-L40 HydrophobicContact CD-CD1 3.89Å; K15-L40 HydrophobicContact CG-CD1 4.19Å
16L93.1Very high89.1Confident29 Ų2959.5 Ų59.515%0.15229%0.289CS..EExtended strand (participates in β ladder)trans-111145.4167.4-70.573.9000108.5T18 V35 R36 I37 I95 I126 I128L16-T18 VanDerWaalsContact C-N 3.3Å; L16-V35 HydrophobicContact CD2-CG1 4.39Å; L16-R36 WeakPolarHBondContact CA-O 3.3Å; L16-I37 HydrophobicContact CG-CG1 4.26Å; L16-I95 HydrophobicContact CD2-CD1 3.39Å; L16-I126 HydrophobicContact CD1-CB 4.18Å; L16-I126 HydrophobicContact CD1-CD1 3.41Å; L16-I126 VanDerWaalsContact CD1-CD1 3.41Å; L16-I126 HydrophobicContact CD1-CG1 4.35Å; L16-I126 HydrophobicContact CD1-CG2 3.73Å; L16-I126 HydrophobicContact CD2-CG2 4.08Å; L16-I126 HydrophobicContact CG-CG2 4.48Å; L16-I128 HydrophobicContact CD2-CD1 3.8Å; L16-I128 HydrophobicContact CD2-CG1 4.16Å
17D92.6Very high89Confident87 Ų8757.3 Ų57.347%0.46528%0.277SS..SBendtrans-72.2-24.5172.759.1-12.3000112.9V35 R36D17-V35 VanDerWaalsContact OD1-CG1 3.27Å; D17-V35 WeakPolarHBondContact OD1-CG1 3.38Å; D17-R36 HydrophobicContact CB-CB 4.21Å; D17-R36 PolarHBondContact N-O 2.75Å; D17-R36 PolarHBondContact OD1-N 2.62Å; D17-R36 WeakPolarHBondContact OD2-CB 3.16Å; D17-R36 PolarHBondContact OD2-N 3.07Å
18T91.5Very high88.9Confident42 Ų4260.4 Ų60.426%0.25829%0.289SS..  trans-144137.4-177-60.10000111.8L16 N20 F21L16-T18 VanDerWaalsContact C-N 3.3Å; T18-N20 WeakPolarHBondContact CG2-O 3.49Å; T18-F21 HydrophobicContact CG2-CD1 3.95Å; T18-F21 HydrophobicContact CG2-CE1 3.52Å; T18-F21 HydrophobicContact CG2-CZ 4.22Å
19T91.3Very high89Confident80 Ų8062.8 Ų62.849%0.49130%0.298SS..SBendtrans-118.2-0178.854.50000113.1I128 A129T19-I128 CarbonylContact O-C 3.54Å; T19-I128 VanDerWaalsContact O-CA 3.25Å; T19-I128 WeakPolarHBondContact O-CA 3.26Å; T19-A129 PolarHBondContact O-N 2.87Å
20N92.5Very high89.2Confident80 Ų8059.7 Ų59.743%0.42829%0.29SS..EExtended strand (participates in β ladder)trans-144.1131.7176.363.5-67.8000110.7T18 A129T18-N20 WeakPolarHBondContact CG2-O 3.49Å; N20-A129 CarbonylContact C-O 3.55Å; N20-A129 VanDerWaalsContact CA-O 3.3Å; N20-A129 WeakPolarHBondContact CA-O 3.3Å
21F90.7Very high89.3Confident1 Ų162.7 Ų62.70%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-108.5129.4170.8-66-47.2000110.4T18 I23 E33 V35 V76 I128 A129 I130 E131T18-F21 HydrophobicContact CG2-CD1 3.95Å; T18-F21 HydrophobicContact CG2-CE1 3.52Å; T18-F21 HydrophobicContact CG2-CZ 4.22Å; F21-I23 HydrophobicContact CB-CD1 4.32Å; F21-I23 HydrophobicContact CB-CG1 4.05Å; F21-E33 HydrophobicContact CD1-CB 4.22Å; F21-E33 HydrophobicContact CD1-CG 3.95Å; F21-E33 WeakPolarHBondContact CD1-OE1 3.33Å; F21-E33 WeakPolarHBondContact CD1-OE2 3.39Å; F21-E33 HydrophobicContact CE1-CB 4.33Å; F21-E33 HydrophobicContact CE1-CG 4.5Å; F21-E33 WeakPolarHBondContact CE1-OE2 3.4Å; F21-E33 HydrophobicContact CG-CB 4.49Å; F21-E33 HydrophobicContact CG-CG 4.23Å; F21-V35 HydrophobicContact CE1-CG2 4.08Å; F21-V35 HydrophobicContact CE2-CG2 3.74Å; F21-V35 HydrophobicContact CZ-CB 4.11Å; F21-V35 HydrophobicContact CZ-CG1 3.99Å; F21-V35 HydrophobicContact CZ-CG2 3.15Å; F21-V76 HydrophobicContact CD2-CG1 4.49Å; F21-V76 HydrophobicContact CE2-CB 4.44Å; F21-V76 HydrophobicContact CE2-CG1 4.47Å; F21-V76 HydrophobicContact CE2-CG2 4.04Å; F21-I128 HydrophobicContact CD2-CG2 3.54Å; F21-I128 HydrophobicContact CE2-CB 4.46Å; F21-I128 HydrophobicContact CE2-CD1 4.09Å; F21-I128 HydrophobicContact CE2-CG2 3.44Å; F21-I128 VanDerWaalsContact CE2-CG2 3.44Å; F21-I128 HydrophobicContact CG-CG2 4.25Å; F21-I128 HydrophobicContact CZ-CD1 4.33Å; F21-I128 HydrophobicContact CZ-CG2 4.04Å; F21-A129 PolarHBondContact N-O 3.19Å; F21-I130 HydrophobicContact CB-CD1 4.03Å; F21-I130 HydrophobicContact CD2-CD1 3.79Å; F21-I130 HydrophobicContact CG-CD1 4.41Å; F21-E131 PolarHBondContact O-N 2.73Å
22K90.1Very high89.3Confident143 Ų14367.6 Ų67.662%0.62233%0.328SS*.EExtended strand (participates in β ladder)trans-96.1104.8170-174172-73.4-174.90108.5E131K22-E131 CarbonylContact C-O 3.55Å; K22-E131 WeakPolarHBondContact CA-O 3.49Å
23I87.1Confident89.3Confident5 Ų564.6 Ų64.63%0.02631%0.314CS..EExtended strand (participates in β ladder)trans-107.8122.6-176.8-56.1-176000108.1F21 P25 K31 L57 F78 I130 E131 Y132 D133F21-I23 HydrophobicContact CB-CD1 4.32Å; F21-I23 HydrophobicContact CB-CG1 4.05Å; I23-P25 VanDerWaalsContact O-CD 3.26Å; I23-P25 WeakPolarHBondContact O-CD 3.19Å; I23-K31 HydrophobicContact CG2-CB 4.39Å; I23-K31 HydrophobicContact CG2-CG 4.35Å; I23-L57 HydrophobicContact CD1-CD1 4.39Å; I23-F78 HydrophobicContact CD1-CB 3.95Å; I23-F78 HydrophobicContact CD1-CD2 4.18Å; I23-F78 HydrophobicContact CD1-CG 4.13Å; I23-F78 HydrophobicContact CG2-CB 4.17Å; I23-F78 HydrophobicContact CG2-CD1 3.65Å; I23-F78 HydrophobicContact CG2-CD2 4.48Å; I23-F78 HydrophobicContact CG2-CE1 4.14Å; I23-F78 HydrophobicContact CG2-CG 3.84Å; I23-I130 HydrophobicContact CD1-CD1 4.43Å; I23-I130 HydrophobicContact CD1-CG2 3.72Å; I23-I130 HydrophobicContact CG1-CG2 4.17Å; I23-E131 PolarHBondContact N-O 3.46Å; I23-Y132 HydrophobicContact CB-CD1 4.31Å; I23-Y132 HydrophobicContact CB-CE1 4.43Å; I23-Y132 VanDerWaalsContact O-CA 3.3Å; I23-Y132 WeakPolarHBondContact O-CA 3.14Å; I23-D133 PolarHBondContact O-N 2.84Å
24K85.5Confident89.4Confident68 Ų6868.6 Ų68.630%0.29633%0.331SS..  trans-84.7108.7165.1179.5176.3158.2178.40108.4D133 V136 E137K24-D133 HydrophobicContact CB-CB 4.23Å; K24-V136 HydrophobicContact CD-CB 4.11Å; K24-V136 VanDerWaalsContact NZ-CB 3.28Å; K24-E137 VanDerWaalsContact CE-OE2 3.26Å; K24-E137 WeakPolarHBondContact CE-OE2 3.45Å
25P81.9Confident89.4Confident1 Ų168.5 Ų68.51%0.00633%0.33CS..  trans-65135.7179.6-16.631.3000110.5I23 F78 L81 F86 Y132 D133 E137I23-P25 VanDerWaalsContact O-CD 3.26Å; I23-P25 WeakPolarHBondContact O-CD 3.19Å; P25-F78 HydrophobicContact CB-CE1 4.21Å; P25-L81 HydrophobicContact CB-CD1 3.41Å; P25-L81 VanDerWaalsContact CB-CD1 3.41Å; P25-L81 HydrophobicContact CB-CD2 4.41Å; P25-L81 HydrophobicContact CB-CG 4.01Å; P25-F86 HydrophobicContact CB-CD1 4.38Å; P25-F86 HydrophobicContact CB-CE1 4.47Å; P25-F86 HydrophobicContact CG-CD1 4.38Å; P25-F86 HydrophobicContact CG-CE1 4.19Å; P25-Y132 HydrophobicContact CG-CD1 3.67Å; P25-Y132 HydrophobicContact CG-CE1 4.45Å; P25-Y132 HydrophobicContact CG-CG 4.28Å; P25-D133 VanDerWaalsContact CD-O 3.31Å; P25-D133 WeakPolarHBondContact CD-O 3.39Å; P25-E137 VanDerWaalsContact O-CB 3.29Å; P25-E137 WeakPolarHBondContact O-CB 3.07Å
26S82.9Confident89.5Confident4 Ų467.4 Ų67.43%0.02832%0.323CS..  trans-129.6144.6178.8-176.30000111.4K28 E29 K80 L81 E137S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact OG-N 3.48Å; S26-K28 VanDerWaalsContact OG-N 3.07Å; S26-E29 PolarHBondContact OG-N 3.09Å; S26-K80 CarbonylContact O-C 3.54Å; S26-K80 VanDerWaalsContact O-CA 3.24Å; S26-K80 WeakPolarHBondContact O-CA 3.34Å; S26-L81 PolarHBondContact O-N 2.8Å; S26-E137 VanDerWaalsContact CA-CD 3.44Å; S26-E137 WeakPolarHBondContact CA-OE1 3.35Å; S26-E137 WeakPolarHBondContact CA-OE2 3.47Å; S26-E137 VanDerWaalsContact CB-CD 3.46Å; S26-E137 WeakPolarHBondContact CB-OE1 3.45Å; S26-E137 WeakPolarHBondContact CB-OE2 3.36Å; S26-E137 VanDerWaalsContact OG-CD 3.3Å; S26-E137 PolarHBondContact OG-OE1 3.36Å; S26-E137 PolarHBondContact OG-OE2 2.95Å
27M80.8Confident89.6Confident55 Ų5566 Ų6627%0.27132%0.315SS..SBendtrans-81.9-18.4169.2-59.9-71.3156.400112L81 D83 P84 M138 A141M27-L81 HydrophobicContact CE-CB 3.52Å; M27-L81 HydrophobicContact CE-CD1 3.51Å; M27-L81 HydrophobicContact CE-CG 4.17Å; M27-L81 HydrophobicContact CG-CB 4.49Å; M27-L81 HydrophobicContact SD-CB 3.41Å; M27-L81 WeakPolarHBondContact SD-CB 3.48Å; M27-L81 HydrophobicContact SD-CD1 4.48Å; M27-L81 VanDerWaalsContact SD-O 3.36Å; M27-D83 VanDerWaalsContact CE-O 3.25Å; M27-D83 WeakPolarHBondContact CE-O 3.44Å; M27-P84 VanDerWaalsContact CE-CA 3.44Å; M27-M138 HydrophobicContact CE-SD 4.42Å; M27-A141 HydrophobicContact CE-CB 4.14Å
28K83.1Confident89.8Confident146 Ų14663.3 Ų63.364%0.63530%0.302SS*.SBendtrans-95.1-43.5-169.2-65.1172.5-175.8161.80111.4S26 E140S26-K28 VanDerWaalsContact C-N 3.34Å; S26-K28 PolarHBondContact OG-N 3.48Å; S26-K28 VanDerWaalsContact OG-N 3.07Å; K28-E140 IonicContact NZ-OE1 3.55Å
29E87.8Confident89.9Confident127 Ų12761.3 Ų61.359%0.59329%0.29SS*.  trans-129.7144.9-169.1-65.5-177.493.800113.5S26S26-E29 PolarHBondContact OG-N 3.09Å
30D90.9Very high90Very high68 Ų6861.4 Ų61.436%0.36429%0.287SS..  trans-72.5141167-60-37.3000109.5K77 F78 K79 K80D30-K77 WeakPolarHBondContact OD2-CE 3.24Å; D30-K77 IonicContact OD2-NZ 2.68Å; D30-K77 PolarHBondContact OD2-NZ 2.79Å; D30-F78 CarbonylContact C-O 3.53Å; D30-F78 WeakPolarHBondContact CA-O 3.31Å; D30-K79 WeakPolarHBondContact OD1-CA 3.45Å; D30-K80 PolarHBondContact OD1-N 2.99Å
31K90.7Very high90Very high75 Ų7557.6 Ų57.633%0.32627%0.267SS..EExtended strand (participates in β ladder)trans-98.4137.7170.8-61.5-61.9-176.3-170.50110.3I23 K77 F78I23-K31 HydrophobicContact CG2-CB 4.39Å; I23-K31 HydrophobicContact CG2-CG 4.35Å; K31-K77 WeakPolarHBondContact O-CA 3.32Å; K31-F78 HydrophobicContact CB-CB 4.3Å; K31-F78 PolarHBondContact N-O 3.27Å; K31-F78 PolarHBondContact O-N 2.81Å
32L92.2Very high90Very high104 Ų10463.7 Ų63.755%0.54530%0.299SS..EExtended strand (participates in β ladder)trans-123.9121.2177.7-156.782.3000109.8K75 V76 K77L32-K75 HydrophobicContact CD1-CB 4.47Å; L32-K75 HydrophobicContact CD2-CD 4.45Å; L32-V76 CarbonylContact C-O 3.53Å; L32-V76 WeakPolarHBondContact CA-O 3.41Å; L32-K77 HydrophobicContact CD1-CB 3.68Å; L32-K77 HydrophobicContact CD1-CD 4.49Å; L32-K77 HydrophobicContact CD1-CG 4.01Å
33E92.4Very high90.1Very high60 Ų6057.9 Ų57.928%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-111.1150.4177.3-89.1-99.9-162.600109.2F21 K75 V76F21-E33 HydrophobicContact CD1-CB 4.22Å; F21-E33 HydrophobicContact CD1-CG 3.95Å; F21-E33 WeakPolarHBondContact CD1-OE1 3.33Å; F21-E33 WeakPolarHBondContact CD1-OE2 3.39Å; F21-E33 HydrophobicContact CE1-CB 4.33Å; F21-E33 HydrophobicContact CE1-CG 4.5Å; F21-E33 WeakPolarHBondContact CE1-OE2 3.4Å; F21-E33 HydrophobicContact CG-CB 4.49Å; F21-E33 HydrophobicContact CG-CG 4.23Å; E33-K75 CarbonylContact O-C 3.49Å; E33-K75 WeakPolarHBondContact O-CA 3.37Å; E33-V76 HydrophobicContact CB-CB 4.14Å; E33-V76 PolarHBondContact N-O 2.99Å; E33-V76 PolarHBondContact O-N 3.49Å
34K93.5Very high90.3Very high136 Ų13659.7 Ų59.759%0.59129%0.289SS*.EExtended strand (participates in β ladder)trans-119.9133.4177.7-71-178.5-175.4172.20109.3L74K34-L74 WeakPolarHBondContact CA-O 3.48Å
35V94.1Very high90.7Very high0 Ų056.4 Ų56.40%028%0.275CS..EExtended strand (participates in β ladder)trans-127.2132.9-178.8-154.30000108.1L16 D17 F21 Y73 L74 V76 I128L16-V35 HydrophobicContact CD2-CG1 4.39Å; D17-V35 VanDerWaalsContact OD1-CG1 3.27Å; D17-V35 WeakPolarHBondContact OD1-CG1 3.38Å; F21-V35 HydrophobicContact CE1-CG2 4.08Å; F21-V35 HydrophobicContact CE2-CG2 3.74Å; F21-V35 HydrophobicContact CZ-CB 4.11Å; F21-V35 HydrophobicContact CZ-CG1 3.99Å; F21-V35 HydrophobicContact CZ-CG2 3.15Å; V35-Y73 CarbonylContact O-C 3.55Å; V35-Y73 WeakPolarHBondContact O-CA 3.3Å; V35-L74 HydrophobicContact CB-CB 4.19Å; V35-L74 HydrophobicContact CG2-CB 4.28Å; V35-L74 PolarHBondContact N-O 3.12Å; V35-L74 PolarHBondContact O-N 2.95Å; V35-V76 HydrophobicContact CG2-CG2 3.59Å; V35-I128 HydrophobicContact CG1-CD1 4.15Å
36R95.1Very high91.4Very high105 Ų10556.4 Ų56.440%0.39628%0.275SS..EExtended strand (participates in β ladder)trans-100.4120.5174.1-169.6-179.2176.2171.31.3109.9L16 D17 T72 Y73L16-R36 WeakPolarHBondContact CA-O 3.3Å; D17-R36 HydrophobicContact CB-CB 4.21Å; D17-R36 PolarHBondContact N-O 2.75Å; D17-R36 PolarHBondContact OD1-N 2.62Å; D17-R36 WeakPolarHBondContact OD2-CB 3.16Å; D17-R36 PolarHBondContact OD2-N 3.07Å; R36-T72 WeakPolarHBondContact CA-O 3.34Å; R36-Y73 HydrophobicContact CB-CD1 4Å; R36-Y73 HydrophobicContact CB-CE1 3.81Å; R36-Y73 HydrophobicContact CG-CD1 4.31Å; R36-Y73 HydrophobicContact CG-CE1 3.99Å
37I95.3Very high92Very high0 Ų056.3 Ų56.30%027%0.274CS..EExtended strand (participates in β ladder)trans-95.5126.6165.1-53.8169.2000107.7V14 L16 F47 I66 G71 T72 L74 I95V14-I37 HydrophobicContact CG1-CG2 3.63Å; L16-I37 HydrophobicContact CG-CG1 4.26Å; I37-F47 HydrophobicContact CD1-CB 4.48Å; I37-F47 HydrophobicContact CD1-CD1 4.4Å; I37-F47 HydrophobicContact CD1-CD2 4.16Å; I37-F47 HydrophobicContact CD1-CG 4.08Å; I37-I66 HydrophobicContact CB-CD1 3.78Å; I37-I66 HydrophobicContact CG2-CD1 3.46Å; I37-I66 VanDerWaalsContact CG2-CD1 3.46Å; I37-G71 CarbonylContact O-C 3.54Å; I37-G71 WeakPolarHBondContact O-CA 3.48Å; I37-T72 HydrophobicContact CB-CG2 4.34Å; I37-T72 PolarHBondContact N-O 3.45Å; I37-T72 PolarHBondContact O-N 2.88Å; I37-L74 HydrophobicContact CD1-CD1 3.27Å; I37-L74 HydrophobicContact CD1-CG 3.94Å; I37-L74 HydrophobicContact CG1-CD1 3.82Å; I37-L74 HydrophobicContact CG1-CG 4.46Å; I37-I95 HydrophobicContact CD1-CD1 4.15Å; I37-I95 HydrophobicContact CD1-CG2 3.89Å; I37-I95 HydrophobicContact CG1-CD1 4.42Å
38T95.8Very high92.7Very high30 Ų3055.4 Ų55.418%0.18427%0.269CS..EExtended strand (participates in β ladder)trans-117122.4177.9-53.50000110V14 K15 L40V14-T38 WeakPolarHBondContact CA-O 3.45Å; K15-T38 PolarHBondContact N-O 2.89Å; K15-T38 PolarHBondContact O-N 3.15Å; T38-L40 HydrophobicContact CG2-CD2 3.67Å; T38-L40 HydrophobicContact CG2-CG 4.17Å
39N95.1Very high93.3Very high0 Ų049.4 Ų49.40%024%0.244CC..EExtended strand (participates in β ladder)trans-91.1105.7171.2178.215.7000108.9T41 S43 V45 I66 K67 T69 R70N39-T41 VanDerWaalsContact C-N 3.31Å; N39-T41 VanDerWaalsContact OD1-CB 3.31Å; N39-T41 WeakPolarHBondContact OD1-CB 3.29Å; N39-T41 WeakPolarHBondContact OD1-CG2 3.33Å; N39-T41 PolarHBondContact OD1-N 2.83Å; N39-T41 PolarHBondContact OD1-OG1 2.94Å; N39-S43 PolarHBondContact ND2-O 2.78Å; N39-V45 HydrophobicContact CB-CG2 4.5Å; N39-I66 HydrophobicContact CB-CB 4.09Å; N39-I66 HydrophobicContact CB-CG2 3.56Å; N39-I66 PolarHBondContact ND2-O 3Å; N39-I66 VanDerWaalsContact ND2-O 3.15Å; N39-K67 PolarHBondContact ND2-O 3.45Å; N39-K67 VanDerWaalsContact ND2-O 3.09Å; N39-T69 CarbonylContact O-C 3.56Å; N39-T69 WeakPolarHBondContact O-CA 3.41Å; N39-T69 PolarHBondContact O-N 3.24Å; N39-R70 WeakPolarHBondContact CA-O 3.45Å; N39-R70 WeakPolarHBondContact CB-O 3.43Å; N39-R70 PolarHBondContact N-O 2.89Å; N39-R70 PolarHBondContact O-N 2.84Å
40L93.3Very high93.6Very high82 Ų8248.3 Ų48.343%0.42924%0.237SC..  trans-89.2-0.2176.5-59.9176.3000112.9Q13 K15 T38Q13-L40 HydrophobicContact CB-CB 4.28Å; Q13-L40 PolarHBondContact OE1-O 3.49Å; K15-L40 HydrophobicContact CD-CD1 3.89Å; K15-L40 HydrophobicContact CG-CD1 4.19Å; T38-L40 HydrophobicContact CG2-CD2 3.67Å; T38-L40 HydrophobicContact CG2-CG 4.17Å
41T91.5Very high93.7Very high0 Ų046.5 Ų46.50%023%0.23CC..SBendtrans-81.8165.9-179.676.50000111.9L10 Q13 N39 S43 A68 T69L10-T41 HydrophobicContact CB-CG2 3.88Å; L10-T41 HydrophobicContact CD2-CG2 4.14Å; L10-T41 WeakPolarHBondContact O-CG2 3.19Å; Q13-T41 HydrophobicContact CB-CG2 3.82Å; N39-T41 VanDerWaalsContact C-N 3.31Å; N39-T41 VanDerWaalsContact OD1-CB 3.31Å; N39-T41 WeakPolarHBondContact OD1-CB 3.29Å; N39-T41 WeakPolarHBondContact OD1-CG2 3.33Å; N39-T41 PolarHBondContact OD1-N 2.83Å; N39-T41 PolarHBondContact OD1-OG1 2.94Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 PolarHBondContact OG1-N 3.12Å; T41-S43 PolarHBondContact OG1-O 3.33Å; T41-A68 WeakPolarHBondContact O-CA 2.9Å; T41-T69 PolarHBondContact O-N 3.34Å
42N91Very high93.8Very high129 Ų12946.1 Ų46.169%0.6923%0.234SC*.SBendtrans-84.51.2171.7-64.5-26.9000113.3A68N42-A68 VanDerWaalsContact C-CB 3.44Å; N42-A68 WeakPolarHBondContact O-CB 3.19Å
43S91.1Very high93.6Very high20 Ų2044.6 Ų44.614%0.1422%0.221CC..SBendtrans-111.8159.1-179.3-54.10000110.6N39 T41N39-S43 PolarHBondContact ND2-O 2.78Å; T41-S43 VanDerWaalsContact C-N 3.27Å; T41-S43 PolarHBondContact OG1-N 3.12Å; T41-S43 PolarHBondContact OG1-O 3.33Å
44S92.7Very high93.5Very high43 Ų4346.3 Ų46.330%0.30124%0.237SC..  trans-76.9138.5172-67.60000110.2I66 V100S44-I66 WeakPolarHBondContact CA-O 3.45Å; S44-V100 WeakPolarHBondContact O-CB 3.37Å; S44-V100 PolarHBondContact O-N 2.84Å
45V94.3Very high93.2Very high0 Ų048.4 Ų48.40%025%0.247CC..EExtended strand (participates in β ladder)trans-119122.7-177.9175.80000109.5V14 N39 I65 I66 V97 A98 I99V14-V45 HydrophobicContact CG2-CG1 3.99Å; V14-V45 HydrophobicContact CG2-CG2 4.02Å; N39-V45 HydrophobicContact CB-CG2 4.5Å; V45-I65 WeakPolarHBondContact O-CA 3.38Å; V45-I66 PolarHBondContact N-O 3.27Å; V45-I66 PolarHBondContact O-N 3.09Å; V45-V97 HydrophobicContact CG1-CB 3.9Å; V45-V97 HydrophobicContact CG1-CG1 4.4Å; V45-A98 CarbonylContact C-O 3.59Å; V45-A98 WeakPolarHBondContact CA-O 3.35Å; V45-I99 HydrophobicContact CG2-CD1 3.88Å
46A94.8Very high92.9Very high0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-83.9144.1169.700000110G64 I65 V97 A98 V100 V112 W113A46-G64 CarbonylContact C-O 3.35Å; A46-G64 WeakPolarHBondContact CA-O 3.27Å; A46-I65 HydrophobicContact CB-CG1 4.26Å; A46-V97 CarbonylContact O-C 3.44Å; A46-V97 VanDerWaalsContact O-CA 3.3Å; A46-V97 WeakPolarHBondContact O-CA 3.41Å; A46-A98 PolarHBondContact N-O 3.39Å; A46-A98 PolarHBondContact O-N 2.95Å; A46-V100 HydrophobicContact CB-CG2 3.92Å; A46-V112 HydrophobicContact CB-CB 4.02Å; A46-V112 HydrophobicContact CB-CG1 3.62Å; A46-V112 HydrophobicContact CB-CG2 4.06Å; A46-W113 HydrophobicContact CB-CZ2 4.34Å
47F95.4Very high92.7Very high2 Ų244.5 Ų44.51%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-127.7151.7171.470.9-91.1000112.2I37 V49 P61 Y63 G64 I66 T72 L74 I95 L96 V97 W113I37-F47 HydrophobicContact CD1-CB 4.48Å; I37-F47 HydrophobicContact CD1-CD1 4.4Å; I37-F47 HydrophobicContact CD1-CD2 4.16Å; I37-F47 HydrophobicContact CD1-CG 4.08Å; F47-V49 HydrophobicContact CD2-CG2 4.16Å; F47-V49 HydrophobicContact CE2-CG2 4.34Å; F47-P61 HydrophobicContact CE2-CG 4.33Å; F47-P61 HydrophobicContact CZ-CG 3.91Å; F47-Y63 WeakPolarHBondContact O-CA 3.26Å; F47-G64 WeakPolarHBondContact CD1-O 3.48Å; F47-G64 VanDerWaalsContact CE1-C 3.46Å; F47-G64 VanDerWaalsContact CZ-CA 3.46Å; F47-G64 PolarHBondContact N-O 2.94Å; F47-G64 PolarHBondContact O-N 3.22Å; F47-G64 VanDerWaalsContact O-N 3.12Å; F47-I66 HydrophobicContact CD1-CD1 3.73Å; F47-I66 HydrophobicContact CD1-CG1 3.73Å; F47-I66 HydrophobicContact CE1-CD1 4.05Å; F47-I66 HydrophobicContact CE1-CG1 3.79Å; F47-T72 HydrophobicContact CE1-CG2 3.76Å; F47-T72 HydrophobicContact CZ-CG2 4.1Å; F47-L74 HydrophobicContact CD2-CD2 4.45Å; F47-L74 HydrophobicContact CE2-CD2 3.64Å; F47-L74 HydrophobicContact CZ-CD2 4.16Å; F47-I95 HydrophobicContact CB-CG2 4.21Å; F47-L96 CarbonylContact C-O 3.59Å; F47-L96 WeakPolarHBondContact CA-O 3.42Å; F47-V97 HydrophobicContact CB-CG1 4.05Å; F47-W113 PolarHBondContact O-NE1 3.14Å
48K95.5Very high92.6Very high37 Ų3746.2 Ų46.216%0.16125%0.245CC..EExtended strand (participates in β ladder)trans-136.3131.4172.4173.2179.1-171.9170.70109.8A62 Y63 L96 W113K48-A62 WeakPolarHBondContact CA-O 3.24Å; K48-Y63 HydrophobicContact CB-CD1 4Å; K48-Y63 HydrophobicContact CB-CE1 4.14Å; K48-Y63 HydrophobicContact CD-CD1 4.25Å; K48-Y63 HydrophobicContact CD-CE1 3.55Å; K48-Y63 WeakPolarHBondContact CE-OH 3.39Å; K48-Y63 HydrophobicContact CG-CD1 3.88Å; K48-Y63 HydrophobicContact CG-CE1 3.54Å; K48-L96 PolarHBondContact N-O 3.09Å; K48-L96 PolarHBondContact O-N 3.02Å; K48-W113 HydrophobicContact CB-CD2 3.62Å; K48-W113 VanDerWaalsContact CB-CE2 3.42Å; K48-W113 HydrophobicContact CB-CE3 4.09Å; K48-W113 HydrophobicContact CB-CG 4.05Å; K48-W113 HydrophobicContact CB-CH2 4.21Å; K48-W113 HydrophobicContact CB-CZ2 3.75Å; K48-W113 HydrophobicContact CB-CZ3 4.36Å; K48-W113 HydrophobicContact CD-CB 4.17Å; K48-W113 HydrophobicContact CD-CD2 3.89Å; K48-W113 HydrophobicContact CD-CE3 4Å; K48-W113 HydrophobicContact CD-CG 3.97Å; K48-W113 HydrophobicContact CG-CD2 4.41Å
49V95.8Very high92.5Very high19 Ų1945.3 Ų45.312%0.11524%0.241CC..EExtended strand (participates in β ladder)trans-97.9130.8178.7-169.70000110.5F47 A59 A62 L74 L93 I95F47-V49 HydrophobicContact CD2-CG2 4.16Å; F47-V49 HydrophobicContact CE2-CG2 4.34Å; V49-A59 HydrophobicContact CB-CB 4.17Å; V49-A59 HydrophobicContact CG1-CB 3.71Å; V49-A59 HydrophobicContact CG2-CB 4.22Å; V49-A62 PolarHBondContact N-O 3.35Å; V49-L74 HydrophobicContact CG2-CD1 4.17Å; V49-L74 HydrophobicContact CG2-CD2 3.94Å; V49-L93 HydrophobicContact CG1-CD1 3.84Å; V49-L93 HydrophobicContact CG1-CD2 3.49Å; V49-L93 VanDerWaalsContact CG1-CD2 3.49Å; V49-L93 HydrophobicContact CG1-CG 3.59Å; V49-I95 HydrophobicContact CG1-CG1 4.44Å; V49-I95 HydrophobicContact CG2-CG1 4.21Å
50K94.5Very high92.5Very high104 Ų10452.9 Ų52.945%0.45227%0.273SS..EExtended strand (participates in β ladder)trans-120.3148.7170.6-66.6-171.6-179.8-178.60109.9L93 T94 L96K50-L93 CarbonylContact O-C 3.59Å; K50-L93 WeakPolarHBondContact O-CA 3.34Å; K50-T94 PolarHBondContact N-O 2.81Å; K50-T94 PolarHBondContact O-N 2.91Å; K50-L96 HydrophobicContact CB-CD1 4.34Å; K50-L96 HydrophobicContact CD-CD1 3.76Å; K50-L96 HydrophobicContact CG-CD1 3.8Å
51S93.7Very high92.6Very high31 Ų3151.7 Ų51.722%0.21727%0.271CS..EExtended strand (participates in β ladder)trans-131.3145.3179.8172.60000109.4R53 L57S51-R53 PolarHBondContact OG-N 3.24Å; S51-R53 VanDerWaalsContact OG-N 3.15Å; S51-R53 PolarHBondContact OG-O 3.42Å; S51-L57 WeakPolarHBondContact CB-O 3.23Å; S51-L57 WeakPolarHBondContact OG-CB 3.48Å; S51-L57 PolarHBondContact OG-O 2.85Å
52T92.6Very high92.7Very high67 Ų6753.6 Ų53.641%0.41129%0.287SS..SBendtrans-68.4-24.7170.248.20000112.6D91 R92T52-D91 WeakPolarHBondContact OG1-CA 3.48Å; T52-D91 WeakPolarHBondContact OG1-CB 3.37Å; T52-D91 PolarHBondContact OG1-OD1 2.7Å; T52-R92 HydrophobicContact CG2-CG 3.53Å; T52-R92 PolarHBondContact N-O 2.74Å; T52-R92 PolarHBondContact OG1-N 2.8Å; T52-R92 PolarHBondContact OG1-O 2.77Å
53R88.8Confident92.9Very high72 Ų7250.6 Ų50.627%0.27227%0.266SS..  trans-130.173.2178.2-74.8179.2-172.9-115.56.8110.9S51 K55 Q56 L57 G87 T89 D91S51-R53 PolarHBondContact OG-N 3.24Å; S51-R53 VanDerWaalsContact OG-N 3.15Å; S51-R53 PolarHBondContact OG-O 3.42Å; R53-K55 PolarHBondContact O-N 2.81Å; R53-K55 VanDerWaalsContact O-N 3.09Å; R53-Q56 HydrophobicContact CB-CB 4.17Å; R53-Q56 PolarHBondContact O-N 3.33Å; R53-L57 WeakPolarHBondContact O-CA 3.33Å; R53-L57 PolarHBondContact O-N 2.68Å; R53-G87 PolarHBondContact NH2-O 2.92Å; R53-T89 PolarHBondContact NE-OG1 2.83Å; R53-T89 PolarHBondContact NH2-OG1 2.93Å; R53-D91 VanDerWaalsContact CD-OD1 3.27Å; R53-D91 WeakPolarHBondContact CD-OD1 2.99Å; R53-D91 WeakPolarHBondContact CD-OD2 3.49Å; R53-D91 VanDerWaalsContact CG-OD1 3.25Å; R53-D91 WeakPolarHBondContact CG-OD1 3.08Å; R53-D91 IonicContact CZ-OD2 3.73Å; R53-D91 IonicContact NE-OD1 3.19Å; R53-D91 PolarHBondContact NE-OD1 2.89Å; R53-D91 IonicContact NE-OD2 2.87Å; R53-D91 PolarHBondContact NE-OD2 2.77Å; R53-D91 IonicContact NH2-OD2 3.9Å
54P88.9Confident93Very high95 Ų9550 Ų5062%0.61726%0.263SS*.THydrogen-bonded Turntrans-59.3-26.9-176.724.1-34.5000113.9
55K87.6Confident93.1Very high181 Ų18150.8 Ų50.879%0.78726%0.263SS*.THydrogen-bonded Turntrans-67-36.4176.1-67.3-174.8178-179.70112.8R53 K79R53-K55 PolarHBondContact O-N 2.81Å; R53-K55 VanDerWaalsContact O-N 3.09Å; K55-K79 VanDerWaalsContact O-CD 3.3Å; K55-K79 WeakPolarHBondContact O-CD 3.46Å; K55-K79 WeakPolarHBondContact O-CE 3.47Å; K55-K79 PolarHBondContact O-NZ 2.74Å
56Q88.1Confident93.2Very high22 Ų2251 Ų5110%0.10327%0.265CS..THydrogen-bonded Turntrans-102.8-45.1-173.8-161.767.820.400112.6R53 F78 K79 K80R53-Q56 HydrophobicContact CB-CB 4.17Å; R53-Q56 PolarHBondContact O-N 3.33Å; Q56-F78 HydrophobicContact CB-CE2 4.37Å; Q56-F78 HydrophobicContact CG-CD2 3.95Å; Q56-F78 HydrophobicContact CG-CE1 4.35Å; Q56-F78 HydrophobicContact CG-CE2 3.44Å; Q56-F78 VanDerWaalsContact CG-CE2 3.44Å; Q56-F78 HydrophobicContact CG-CZ 3.68Å; Q56-F78 CarbonylContact O-C 3.49Å; Q56-F78 WeakPolarHBondContact O-CA 3.33Å; Q56-K79 PolarHBondContact NE2-O 3.17Å; Q56-K79 PolarHBondContact O-N 2.81Å; Q56-K80 VanDerWaalsContact NE2-C 3.27Å; Q56-K80 PolarHBondContact NE2-O 2.82Å
57L90.9Very high93.1Very high0 Ų058.2 Ų58.20%030%0.296CS..EExtended strand (participates in β ladder)trans-112.8107.5-175.8179.671.4000108.9I23 S51 R53 V76 K77 F78 L93 I130I23-L57 HydrophobicContact CD1-CD1 4.39Å; S51-L57 WeakPolarHBondContact CB-O 3.23Å; S51-L57 WeakPolarHBondContact OG-CB 3.48Å; S51-L57 PolarHBondContact OG-O 2.85Å; R53-L57 WeakPolarHBondContact O-CA 3.33Å; R53-L57 PolarHBondContact O-N 2.68Å; L57-V76 HydrophobicContact CD1-CG1 3.54Å; L57-K77 WeakPolarHBondContact CA-O 3.03Å; L57-F78 HydrophobicContact CB-CD2 4.32Å; L57-F78 HydrophobicContact CD1-CB 4.47Å; L57-F78 HydrophobicContact CD1-CD2 4.22Å; L57-L93 HydrophobicContact CD2-CB 4.21Å; L57-L93 HydrophobicContact CG-CD1 4.4Å; L57-I130 HydrophobicContact CD1-CD1 4.34Å; L57-I130 HydrophobicContact CD2-CD1 3.94Å; L57-I130 HydrophobicContact CD2-CG1 3.67Å
58S93Very high93Very high36 Ų3659.6 Ų59.625%0.25231%0.308SS..EExtended strand (participates in β ladder)trans-127.8154-178.161.90000110.5V76 K77S58-V76 CarbonylContact O-C 3.49Å; S58-V76 WeakPolarHBondContact O-CA 3.05Å; S58-K77 PolarHBondContact N-O 2.96Å; S58-K77 PolarHBondContact O-N 3.48Å
59A94.1Very high92.9Very high12 Ų1262.6 Ų62.610%0.09933%0.329CS..EExtended strand (participates in β ladder)trans-124.2143.2174.500000110.9V49 A62 K75 V76 L93V49-A59 HydrophobicContact CB-CB 4.17Å; V49-A59 HydrophobicContact CG1-CB 3.71Å; V49-A59 HydrophobicContact CG2-CB 4.22Å; A59-A62 PolarHBondContact O-N 3.33Å; A59-K75 CarbonylContact C-O 3.54Å; A59-K75 WeakPolarHBondContact CA-O 3.18Å; A59-V76 HydrophobicContact CB-CG2 4.22Å; A59-L93 HydrophobicContact CB-CD1 4.13Å
60K94.2Very high92.8Very high158 Ų15869.8 Ų69.869%0.68735%0.354SS*.EExtended strand (participates in β ladder)trans-125.4129.3172.9-70.4-168.3176.7-1750110.7K75K60-K75 PolarHBondContact N-O 2.9Å; K60-K75 PolarHBondContact O-N 2.95Å
61P95.2Very high92.8Very high58 Ų5866.5 Ų66.538%0.37735%0.35SS..SBendcis-70.7150-8.333.1-39.2000112.2F47 Y63 L74F47-P61 HydrophobicContact CE2-CG 4.33Å; F47-P61 HydrophobicContact CZ-CG 3.91Å; P61-Y63 VanDerWaalsContact C-N 3.34Å; P61-Y63 WeakPolarHBondContact CB-O 3.37Å; P61-L74 HydrophobicContact CG-CD2 4.37Å; P61-L74 WeakPolarHBondContact O-CD2 3.18Å
62A93.8Very high92.9Very high40 Ų4067 Ų6733%0.33135%0.352SS..SBendtrans-78-23176.700000112.8K48 V49 A59K48-A62 WeakPolarHBondContact CA-O 3.24Å; V49-A62 PolarHBondContact N-O 3.35Å; A59-A62 PolarHBondContact O-N 3.33Å
63Y95.1Very high93.1Very high65 Ų6570.3 Ų70.326%0.25536%0.358SS..EExtended strand (participates in β ladder)trans-135.5146.8177.3-58.9-95.2000108.7F47 K48 P61 W113F47-Y63 WeakPolarHBondContact O-CA 3.26Å; K48-Y63 HydrophobicContact CB-CD1 4Å; K48-Y63 HydrophobicContact CB-CE1 4.14Å; K48-Y63 HydrophobicContact CD-CD1 4.25Å; K48-Y63 HydrophobicContact CD-CE1 3.55Å; K48-Y63 WeakPolarHBondContact CE-OH 3.39Å; K48-Y63 HydrophobicContact CG-CD1 3.88Å; K48-Y63 HydrophobicContact CG-CE1 3.54Å; P61-Y63 VanDerWaalsContact C-N 3.34Å; P61-Y63 WeakPolarHBondContact CB-O 3.37Å; Y63-W113 AromaticContact CD1-CD1 3.7Å; Y63-W113 HydrophobicContact CD1-CG 4.24Å; Y63-W113 HydrophobicContact CE1-CB 4.26Å; Y63-W113 HydrophobicContact CE1-CG 4.29Å
64G94.6Very high93.3Very high8 Ų866.9 Ų66.98%0.08235%0.345CS..EExtended strand (participates in β ladder)trans-168.3168.4173.300000112.2A46 F47 P109A46-G64 CarbonylContact C-O 3.35Å; A46-G64 WeakPolarHBondContact CA-O 3.27Å; F47-G64 WeakPolarHBondContact CD1-O 3.48Å; F47-G64 VanDerWaalsContact CE1-C 3.46Å; F47-G64 VanDerWaalsContact CZ-CA 3.46Å; F47-G64 PolarHBondContact N-O 2.94Å; F47-G64 PolarHBondContact O-N 3.22Å; F47-G64 VanDerWaalsContact O-N 3.12Å; G64-P109 VanDerWaalsContact CA-CB 3.5Å
65I94.8Very high93.6Very high60 Ų6067.8 Ų67.831%0.30834%0.339SS..EExtended strand (participates in β ladder)trans-122.1127.9173.8-60.9172.4000107.5V45 A46 V100 Y106 P109 V112V45-I65 WeakPolarHBondContact O-CA 3.38Å; A46-I65 HydrophobicContact CB-CG1 4.26Å; I65-V100 HydrophobicContact CG2-CG2 4.06Å; I65-Y106 HydrophobicContact CD1-CD2 4.44Å; I65-P109 HydrophobicContact CG1-CB 4.14Å; I65-P109 HydrophobicContact CG1-CG 4.46Å; I65-V112 HydrophobicContact CD1-CG2 4.09Å
66I94.9Very high93.9Very high5 Ų559.3 Ų59.33%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-106.8115.1179-51170.7000107I37 N39 S44 V45 F47 R70 T72I37-I66 HydrophobicContact CB-CD1 3.78Å; I37-I66 HydrophobicContact CG2-CD1 3.46Å; I37-I66 VanDerWaalsContact CG2-CD1 3.46Å; N39-I66 HydrophobicContact CB-CB 4.09Å; N39-I66 HydrophobicContact CB-CG2 3.56Å; N39-I66 PolarHBondContact ND2-O 3Å; N39-I66 VanDerWaalsContact ND2-O 3.15Å; S44-I66 WeakPolarHBondContact CA-O 3.45Å; V45-I66 PolarHBondContact N-O 3.27Å; V45-I66 PolarHBondContact O-N 3.09Å; F47-I66 HydrophobicContact CD1-CD1 3.73Å; F47-I66 HydrophobicContact CD1-CG1 3.73Å; F47-I66 HydrophobicContact CE1-CD1 4.05Å; F47-I66 HydrophobicContact CE1-CG1 3.79Å; I66-R70 HydrophobicContact CG2-CB 4.14Å; I66-R70 WeakPolarHBondContact CG2-O 3.18Å; I66-T72 HydrophobicContact CD1-CG2 3.64Å; I66-T72 HydrophobicContact CG1-CG2 3.71Å
67K93.4Very high94.2Very high151 Ų15161.8 Ų61.866%0.65731%0.313SS*.  trans-59.9160.6176.1-64.5-174178.3-176.50111.1N39 T69 R70N39-K67 PolarHBondContact ND2-O 3.45Å; N39-K67 VanDerWaalsContact ND2-O 3.09Å; K67-T69 PolarHBondContact O-N 3.23Å; K67-R70 HydrophobicContact CB-CB 4.45Å; K67-R70 HydrophobicContact CB-CG 4.04Å; K67-R70 WeakPolarHBondContact O-CB 3.5Å; K67-R70 PolarHBondContact O-N 2.86Å
68A93.2Very high94.2Very high31 Ų3161.9 Ų61.926%0.25631%0.313SS..THydrogen-bonded Turntrans-49.3137.4174.500000111.8T41 N42 R70T41-A68 WeakPolarHBondContact O-CA 2.9Å; N42-A68 VanDerWaalsContact C-CB 3.44Å; N42-A68 WeakPolarHBondContact O-CB 3.19Å; A68-R70 PolarHBondContact O-N 2.83Å
69T92.9Very high94.1Very high99 Ų9964.5 Ų64.561%0.60732%0.32SS*.THydrogen-bonded Turntrans57.415.7179.471.60000116.1N39 T41 K67N39-T69 CarbonylContact O-C 3.56Å; N39-T69 WeakPolarHBondContact O-CA 3.41Å; N39-T69 PolarHBondContact O-N 3.24Å; T41-T69 PolarHBondContact O-N 3.34Å; K67-T69 PolarHBondContact O-N 3.23Å
70R95.1Very high93.8Very high170 Ų17069.2 Ų69.264%0.64234%0.338SS*.  trans-107.3164.1179.5-64.2-60.5-131.9176.44.6112.2N39 I66 K67 A68N39-R70 WeakPolarHBondContact CA-O 3.45Å; N39-R70 WeakPolarHBondContact CB-O 3.43Å; N39-R70 PolarHBondContact N-O 2.89Å; N39-R70 PolarHBondContact O-N 2.84Å; I66-R70 HydrophobicContact CG2-CB 4.14Å; I66-R70 WeakPolarHBondContact CG2-O 3.18Å; K67-R70 HydrophobicContact CB-CB 4.45Å; K67-R70 HydrophobicContact CB-CG 4.04Å; K67-R70 WeakPolarHBondContact O-CB 3.5Å; K67-R70 PolarHBondContact O-N 2.86Å; A68-R70 PolarHBondContact O-N 2.83Å
71G94.7Very high93.4Very high35 Ų3561.9 Ų61.936%0.36131%0.307SS..EExtended strand (participates in β ladder)trans-126.5162.7167.900000111.6I37I37-G71 CarbonylContact O-C 3.54Å; I37-G71 WeakPolarHBondContact O-CA 3.48Å
72T95.7Very high92.5Very high42 Ų4263.8 Ų63.826%0.25832%0.319SS..EExtended strand (participates in β ladder)trans-136.2155.9174.9-166.50000110.5R36 I37 F47 I66R36-T72 WeakPolarHBondContact CA-O 3.34Å; I37-T72 HydrophobicContact CB-CG2 4.34Å; I37-T72 PolarHBondContact N-O 3.45Å; I37-T72 PolarHBondContact O-N 2.88Å; F47-T72 HydrophobicContact CE1-CG2 3.76Å; F47-T72 HydrophobicContact CZ-CG2 4.1Å; I66-T72 HydrophobicContact CD1-CG2 3.64Å; I66-T72 HydrophobicContact CG1-CG2 3.71Å
73Y95.6Very high91.6Very high136 Ų13666.8 Ų66.853%0.53333%0.329SS..EExtended strand (participates in β ladder)trans-103.9127.7176.4-70.3-84.3000110.7V35 R36V35-Y73 CarbonylContact O-C 3.55Å; V35-Y73 WeakPolarHBondContact O-CA 3.3Å; R36-Y73 HydrophobicContact CB-CD1 4Å; R36-Y73 HydrophobicContact CB-CE1 3.81Å; R36-Y73 HydrophobicContact CG-CD1 4.31Å; R36-Y73 HydrophobicContact CG-CE1 3.99Å
74L94.5Very high90.4Very high0 Ų066.3 Ų66.30%033%0.334CS..EExtended strand (participates in β ladder)trans-94.8131.2167.3-71.3169.5000109.4K34 V35 I37 F47 V49 P61 I95K34-L74 WeakPolarHBondContact CA-O 3.48Å; V35-L74 HydrophobicContact CB-CB 4.19Å; V35-L74 HydrophobicContact CG2-CB 4.28Å; V35-L74 PolarHBondContact N-O 3.12Å; V35-L74 PolarHBondContact O-N 2.95Å; I37-L74 HydrophobicContact CD1-CD1 3.27Å; I37-L74 HydrophobicContact CD1-CG 3.94Å; I37-L74 HydrophobicContact CG1-CD1 3.82Å; I37-L74 HydrophobicContact CG1-CG 4.46Å; F47-L74 HydrophobicContact CD2-CD2 4.45Å; F47-L74 HydrophobicContact CE2-CD2 3.64Å; F47-L74 HydrophobicContact CZ-CD2 4.16Å; V49-L74 HydrophobicContact CG2-CD1 4.17Å; V49-L74 HydrophobicContact CG2-CD2 3.94Å; P61-L74 HydrophobicContact CG-CD2 4.37Å; P61-L74 WeakPolarHBondContact O-CD2 3.18Å; L74-I95 HydrophobicContact CD1-CD1 3.63Å; L74-I95 HydrophobicContact CD1-CG1 4.23Å
75K94.8Very high89.3Confident115 Ų11572.8 Ų72.850%0.537%0.367SS..EExtended strand (participates in β ladder)trans-95.7109.3167.8-65176.6-174.2174.20108.4L32 E33 A59 K60L32-K75 HydrophobicContact CD1-CB 4.47Å; L32-K75 HydrophobicContact CD2-CD 4.45Å; E33-K75 CarbonylContact O-C 3.49Å; E33-K75 WeakPolarHBondContact O-CA 3.37Å; A59-K75 CarbonylContact C-O 3.54Å; A59-K75 WeakPolarHBondContact CA-O 3.18Å; K60-K75 PolarHBondContact N-O 2.9Å; K60-K75 PolarHBondContact O-N 2.95Å
76V94Very high88.3Confident2 Ų270.9 Ų70.91%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-90.3116.1175.21780000108F21 L32 E33 V35 L57 S58 A59 L93F21-V76 HydrophobicContact CD2-CG1 4.49Å; F21-V76 HydrophobicContact CE2-CB 4.44Å; F21-V76 HydrophobicContact CE2-CG1 4.47Å; F21-V76 HydrophobicContact CE2-CG2 4.04Å; L32-V76 CarbonylContact C-O 3.53Å; L32-V76 WeakPolarHBondContact CA-O 3.41Å; E33-V76 HydrophobicContact CB-CB 4.14Å; E33-V76 PolarHBondContact N-O 2.99Å; E33-V76 PolarHBondContact O-N 3.49Å; V35-V76 HydrophobicContact CG2-CG2 3.59Å; L57-V76 HydrophobicContact CD1-CG1 3.54Å; S58-V76 CarbonylContact O-C 3.49Å; S58-V76 WeakPolarHBondContact O-CA 3.05Å; A59-V76 HydrophobicContact CB-CG2 4.22Å; V76-L93 HydrophobicContact CG1-CD1 3.98Å; V76-L93 HydrophobicContact CG2-CD1 3.95Å
77K93.2Very high87.3Confident74 Ų7472.7 Ų72.732%0.32238%0.376SS..EExtended strand (participates in β ladder)trans-103.2118.7177.3-173.3174.5-179.3173.30109.5D30 K31 L32 L57 S58D30-K77 WeakPolarHBondContact OD2-CE 3.24Å; D30-K77 IonicContact OD2-NZ 2.68Å; D30-K77 PolarHBondContact OD2-NZ 2.79Å; K31-K77 WeakPolarHBondContact O-CA 3.32Å; L32-K77 HydrophobicContact CD1-CB 3.68Å; L32-K77 HydrophobicContact CD1-CD 4.49Å; L32-K77 HydrophobicContact CD1-CG 4.01Å; L57-K77 WeakPolarHBondContact CA-O 3.03Å; S58-K77 PolarHBondContact N-O 2.96Å; S58-K77 PolarHBondContact O-N 3.48Å
78F91.5Very high86.6Confident2 Ų268.7 Ų68.71%0.00936%0.364CS..EExtended strand (participates in β ladder)trans-98.5113.6163.7-173.3-97.8000107.9I23 P25 D30 K31 Q56 L57 L81 F86 Y132I23-F78 HydrophobicContact CD1-CB 3.95Å; I23-F78 HydrophobicContact CD1-CD2 4.18Å; I23-F78 HydrophobicContact CD1-CG 4.13Å; I23-F78 HydrophobicContact CG2-CB 4.17Å; I23-F78 HydrophobicContact CG2-CD1 3.65Å; I23-F78 HydrophobicContact CG2-CD2 4.48Å; I23-F78 HydrophobicContact CG2-CE1 4.14Å; I23-F78 HydrophobicContact CG2-CG 3.84Å; P25-F78 HydrophobicContact CB-CE1 4.21Å; D30-F78 CarbonylContact C-O 3.53Å; D30-F78 WeakPolarHBondContact CA-O 3.31Å; K31-F78 HydrophobicContact CB-CB 4.3Å; K31-F78 PolarHBondContact N-O 3.27Å; K31-F78 PolarHBondContact O-N 2.81Å; Q56-F78 HydrophobicContact CB-CE2 4.37Å; Q56-F78 HydrophobicContact CG-CD2 3.95Å; Q56-F78 HydrophobicContact CG-CE1 4.35Å; Q56-F78 HydrophobicContact CG-CE2 3.44Å; Q56-F78 VanDerWaalsContact CG-CE2 3.44Å; Q56-F78 HydrophobicContact CG-CZ 3.68Å; Q56-F78 CarbonylContact O-C 3.49Å; Q56-F78 WeakPolarHBondContact O-CA 3.33Å; L57-F78 HydrophobicContact CB-CD2 4.32Å; L57-F78 HydrophobicContact CD1-CB 4.47Å; L57-F78 HydrophobicContact CD1-CD2 4.22Å; F78-L81 HydrophobicContact CE1-CD2 4.06Å; F78-L81 HydrophobicContact CZ-CD2 3.95Å; F78-F86 HydrophobicContact CE2-CZ 4.34Å; F78-F86 HydrophobicContact CZ-CE1 4.44Å; F78-F86 HydrophobicContact CZ-CE2 4.19Å; F78-F86 AromaticContact CZ-CZ 3.84Å; F78-F86 HydrophobicContact CZ-CZ 3.84Å; F78-Y132 HydrophobicContact CD2-CE1 4.42Å; F78-Y132 AromaticContact CE2-CE1 3.64Å; F78-Y132 HydrophobicContact CE2-CE1 3.64Å; F78-Y132 WeakPolarHBondContact CE2-OH 3.25Å; F78-Y132 AromaticContact CZ-CE1 3.68Å; F78-Y132 HydrophobicContact CZ-CE1 3.68Å
79K90.6Very high86.1Confident92 Ų9270.3 Ų70.340%0.437%0.371SS..PPolyproline II helixtrans-63.2160.3179.3-67.2-172.8-173.1162.30110.5D30 K55 Q56D30-K79 WeakPolarHBondContact OD1-CA 3.45Å; K55-K79 VanDerWaalsContact O-CD 3.3Å; K55-K79 WeakPolarHBondContact O-CD 3.46Å; K55-K79 WeakPolarHBondContact O-CE 3.47Å; K55-K79 PolarHBondContact O-NZ 2.74Å; Q56-K79 PolarHBondContact NE2-O 3.17Å; Q56-K79 PolarHBondContact O-N 2.81Å
80K88.9Confident85.8Confident110 Ų11075.7 Ų75.748%0.47839%0.386SS..PPolyproline II helixtrans-59.7147.116363.7-176.6-179.6175.90110.3S26 D30 Q56S26-K80 CarbonylContact O-C 3.54Å; S26-K80 VanDerWaalsContact O-CA 3.24Å; S26-K80 WeakPolarHBondContact O-CA 3.34Å; D30-K80 PolarHBondContact OD1-N 2.99Å; Q56-K80 VanDerWaalsContact NE2-C 3.27Å; Q56-K80 PolarHBondContact NE2-O 2.82Å
81L85.1Confident85.6Confident5 Ų568 Ų683%0.02636%0.358CS..PPolyproline II helixtrans-69.6128.4179.5-66.3-177.5000109.5P25 S26 M27 F78 F86 M138P25-L81 HydrophobicContact CB-CD1 3.41Å; P25-L81 VanDerWaalsContact CB-CD1 3.41Å; P25-L81 HydrophobicContact CB-CD2 4.41Å; P25-L81 HydrophobicContact CB-CG 4.01Å; S26-L81 PolarHBondContact O-N 2.8Å; M27-L81 HydrophobicContact CE-CB 3.52Å; M27-L81 HydrophobicContact CE-CD1 3.51Å; M27-L81 HydrophobicContact CE-CG 4.17Å; M27-L81 HydrophobicContact CG-CB 4.49Å; M27-L81 HydrophobicContact SD-CB 3.41Å; M27-L81 WeakPolarHBondContact SD-CB 3.48Å; M27-L81 HydrophobicContact SD-CD1 4.48Å; M27-L81 VanDerWaalsContact SD-O 3.36Å; F78-L81 HydrophobicContact CE1-CD2 4.06Å; F78-L81 HydrophobicContact CZ-CD2 3.95Å; L81-F86 HydrophobicContact CD1-CB 3.41Å; L81-F86 VanDerWaalsContact CD1-CB 3.41Å; L81-F86 HydrophobicContact CD1-CD1 3.92Å; L81-F86 HydrophobicContact CD1-CD2 4.37Å; L81-F86 HydrophobicContact CD1-CG 3.65Å; L81-F86 HydrophobicContact CD2-CB 3.77Å; L81-F86 HydrophobicContact CD2-CD1 3.94Å; L81-F86 HydrophobicContact CD2-CD2 3.15Å; L81-F86 HydrophobicContact CD2-CE1 4.32Å; L81-F86 HydrophobicContact CD2-CE2 3.59Å; L81-F86 HydrophobicContact CD2-CG 3.33Å; L81-F86 HydrophobicContact CD2-CZ 4.16Å; L81-F86 HydrophobicContact CG-CB 4.11Å; L81-F86 HydrophobicContact CG-CD2 4.34Å; L81-F86 HydrophobicContact CG-CG 4.11Å; L81-M138 HydrophobicContact CD1-SD 3.86Å
82P76.6Confident85.5Confident97 Ų9773.3 Ų73.363%0.6337%0.367SS*.SBendtrans-75.5-30.3176.928.8-32.8000112.2
83D74.3Confident85.4Confident103 Ų10371.3 Ų71.355%0.55136%0.355SS*.SBendtrans-129.3141.5-172.3-59.3-66.6000111.4M27 N85 F86M27-D83 VanDerWaalsContact CE-O 3.25Å; M27-D83 WeakPolarHBondContact CE-O 3.44Å; D83-N85 PolarHBondContact O-N 2.92Å; D83-N85 VanDerWaalsContact O-N 3.14Å; D83-F86 PolarHBondContact O-N 2.75Å
84P70.3Confident85.4Confident56 Ų5665.9 Ų65.936%0.36434%0.336SS..THydrogen-bonded Turntrans-59.1-25.5176.824.4-33.4000113.3M27 F86 A141M27-P84 VanDerWaalsContact CE-CA 3.44Å; P84-F86 PolarHBondContact O-N 2.98Å; P84-F86 VanDerWaalsContact O-N 3.11Å; P84-A141 HydrophobicContact CB-CB 4.04Å
85N70.3Confident85.5Confident143 Ų14365.9 Ų65.977%0.76534%0.336SS*.THydrogen-bonded Turntrans-83.936.6-179.7-92.173.9000113.7D83 G87D83-N85 PolarHBondContact O-N 2.92Å; D83-N85 VanDerWaalsContact O-N 3.14Å; N85-G87 PolarHBondContact O-N 2.81Å
86F74.3Confident85.5Confident20 Ų2060.6 Ų60.69%0.08831%0.313CS..  trans-60.2104.5177.2177.6-105.8000111.2P25 F78 L81 D83 P84 V88 Y132 M138P25-F86 HydrophobicContact CB-CD1 4.38Å; P25-F86 HydrophobicContact CB-CE1 4.47Å; P25-F86 HydrophobicContact CG-CD1 4.38Å; P25-F86 HydrophobicContact CG-CE1 4.19Å; F78-F86 HydrophobicContact CE2-CZ 4.34Å; F78-F86 HydrophobicContact CZ-CE1 4.44Å; F78-F86 HydrophobicContact CZ-CE2 4.19Å; F78-F86 AromaticContact CZ-CZ 3.84Å; F78-F86 HydrophobicContact CZ-CZ 3.84Å; L81-F86 HydrophobicContact CD1-CB 3.41Å; L81-F86 VanDerWaalsContact CD1-CB 3.41Å; L81-F86 HydrophobicContact CD1-CD1 3.92Å; L81-F86 HydrophobicContact CD1-CD2 4.37Å; L81-F86 HydrophobicContact CD1-CG 3.65Å; L81-F86 HydrophobicContact CD2-CB 3.77Å; L81-F86 HydrophobicContact CD2-CD1 3.94Å; L81-F86 HydrophobicContact CD2-CD2 3.15Å; L81-F86 HydrophobicContact CD2-CE1 4.32Å; L81-F86 HydrophobicContact CD2-CE2 3.59Å; L81-F86 HydrophobicContact CD2-CG 3.33Å; L81-F86 HydrophobicContact CD2-CZ 4.16Å; L81-F86 HydrophobicContact CG-CB 4.11Å; L81-F86 HydrophobicContact CG-CD2 4.34Å; L81-F86 HydrophobicContact CG-CG 4.11Å; D83-F86 PolarHBondContact O-N 2.75Å; P84-F86 PolarHBondContact O-N 2.98Å; P84-F86 VanDerWaalsContact O-N 3.11Å; F86-V88 HydrophobicContact CD1-CG2 3.96Å; F86-V88 HydrophobicContact CE1-CG2 4.06Å; F86-V88 PolarHBondContact O-N 2.96Å; F86-Y132 HydrophobicContact CE1-CD1 4.17Å; F86-Y132 HydrophobicContact CE1-CD2 4.43Å; F86-Y132 HydrophobicContact CE1-CE1 4.04Å; F86-Y132 HydrophobicContact CE1-CE2 4.29Å; F86-Y132 HydrophobicContact CE1-CG 4.34Å; F86-Y132 AromaticContact CZ-CE1 3.95Å; F86-Y132 HydrophobicContact CZ-CE1 3.95Å; F86-Y132 HydrophobicContact CZ-CE2 4.17Å; F86-Y132 AromaticContact CZ-CZ 3.73Å; F86-M138 HydrophobicContact CB-CE 3.67Å; F86-M138 HydrophobicContact CB-SD 4.15Å; F86-M138 HydrophobicContact CD1-CE 4.26Å; F86-M138 HydrophobicContact CG-CE 4.48Å; F86-M138 WeakPolarHBondContact O-CE 3.37Å
87G75Confident85.5Confident43 Ų4360.5 Ų60.544%0.44331%0.313SS..  trans-68.5101.8174.200000109.5R53 N85 T89R53-G87 PolarHBondContact NH2-O 2.92Å; N85-G87 PolarHBondContact O-N 2.81Å; G87-T89 PolarHBondContact O-N 3.48Å; G87-T89 VanDerWaalsContact O-N 3.14Å
88V78.9Confident85.6Confident67 Ų6757 Ų5741%0.40630%0.297SS..  trans-61112.5172.9174.90000108.1F86 Y132 T134F86-V88 HydrophobicContact CD1-CG2 3.96Å; F86-V88 HydrophobicContact CE1-CG2 4.06Å; F86-V88 PolarHBondContact O-N 2.96Å; V88-Y132 HydrophobicContact CG1-CD2 3.74Å; V88-Y132 HydrophobicContact CG1-CG 4.14Å; V88-T134 HydrophobicContact CB-CG2 4.48Å; V88-T134 HydrophobicContact CG1-CG2 4.15Å; V88-T134 HydrophobicContact CG2-CG2 3.83Å
89T82.4Confident85.6Confident66 Ų6657.7 Ų57.741%0.40530%0.301SS..  trans-121.2168.7178.554.40000111.1R53 G87 D91 Y132R53-T89 PolarHBondContact NE-OG1 2.83Å; R53-T89 PolarHBondContact NH2-OG1 2.93Å; G87-T89 PolarHBondContact O-N 3.48Å; G87-T89 VanDerWaalsContact O-N 3.14Å; T89-D91 PolarHBondContact O-N 3Å; T89-D91 PolarHBondContact OG1-OD2 3.03Å; T89-Y132 WeakPolarHBondContact O-CE2 3.25Å
90K86.1Confident85.7Confident211 Ų21153.9 Ų53.992%0.91729%0.285SS*.  trans-73.779.3171.2-65.2-176.8-179.7-178.90109.9
91D90.5Very high85.5Confident9 Ų951.3 Ų51.35%0.04828%0.28CS..  trans-81.5150.1177-76.3-63.7000111.8T52 R53 T89 I130 Y132T52-D91 WeakPolarHBondContact OG1-CA 3.48Å; T52-D91 WeakPolarHBondContact OG1-CB 3.37Å; T52-D91 PolarHBondContact OG1-OD1 2.7Å; R53-D91 VanDerWaalsContact CD-OD1 3.27Å; R53-D91 WeakPolarHBondContact CD-OD1 2.99Å; R53-D91 WeakPolarHBondContact CD-OD2 3.49Å; R53-D91 VanDerWaalsContact CG-OD1 3.25Å; R53-D91 WeakPolarHBondContact CG-OD1 3.08Å; R53-D91 IonicContact CZ-OD2 3.73Å; R53-D91 IonicContact NE-OD1 3.19Å; R53-D91 PolarHBondContact NE-OD1 2.89Å; R53-D91 IonicContact NE-OD2 2.87Å; R53-D91 PolarHBondContact NE-OD2 2.77Å; R53-D91 IonicContact NH2-OD2 3.9Å; T89-D91 PolarHBondContact O-N 3Å; T89-D91 PolarHBondContact OG1-OD2 3.03Å; D91-I130 HydrophobicContact CB-CB 4.03Å; D91-I130 HydrophobicContact CB-CG1 4.26Å; D91-I130 WeakPolarHBondContact O-CB 3.3Å; D91-I130 PolarHBondContact O-N 3.34Å; D91-Y132 HydrophobicContact CB-CE2 4.02Å; D91-Y132 WeakPolarHBondContact CB-OH 3.46Å; D91-Y132 WeakPolarHBondContact OD2-CE2 3.41Å; D91-Y132 PolarHBondContact OD2-OH 3.24Å
92R93.4Very high85.4Confident146 Ų14659.6 Ų59.655%0.55132%0.318SS*.EExtended strand (participates in β ladder)trans-145.9147.8176.563.3179.3-178.5-171.6-1.2111.6T52 I128T52-R92 HydrophobicContact CG2-CG 3.53Å; T52-R92 PolarHBondContact N-O 2.74Å; T52-R92 PolarHBondContact OG1-N 2.8Å; T52-R92 PolarHBondContact OG1-O 2.77Å; R92-I128 WeakPolarHBondContact CA-O 3.31Å
93L94.3Very high85.6Confident0 Ų059.1 Ų59.10%033%0.331CS..EExtended strand (participates in β ladder)trans-106.7129.7166.7-174.2146.6000107.5V49 K50 L57 A59 V76 I95 I128V49-L93 HydrophobicContact CG1-CD1 3.84Å; V49-L93 HydrophobicContact CG1-CD2 3.49Å; V49-L93 VanDerWaalsContact CG1-CD2 3.49Å; V49-L93 HydrophobicContact CG1-CG 3.59Å; K50-L93 CarbonylContact O-C 3.59Å; K50-L93 WeakPolarHBondContact O-CA 3.34Å; L57-L93 HydrophobicContact CD2-CB 4.21Å; L57-L93 HydrophobicContact CG-CD1 4.4Å; A59-L93 HydrophobicContact CB-CD1 4.13Å; V76-L93 HydrophobicContact CG1-CD1 3.98Å; V76-L93 HydrophobicContact CG2-CD1 3.95Å; L93-I95 HydrophobicContact CD2-CD1 4Å; L93-I95 HydrophobicContact CD2-CG1 3.8Å; L93-I128 HydrophobicContact CB-CB 4.38Å; L93-I128 HydrophobicContact CD2-CD1 3.78Å; L93-I128 PolarHBondContact N-O 2.75Å; L93-I128 PolarHBondContact O-N 2.75Å
94T95.4Very high85.9Confident22 Ų2258.1 Ų58.114%0.13532%0.322CS..EExtended strand (participates in β ladder)trans-117.7120.2-178.3-54.20000109.2K50 L96 R125K50-T94 PolarHBondContact N-O 2.81Å; K50-T94 PolarHBondContact O-N 2.91Å; T94-L96 HydrophobicContact CG2-CD1 4.28Å; T94-R125 HydrophobicContact CG2-CB 4.07Å
95I95.4Very high86.5Confident0 Ų061.9 Ų61.90%034%0.344CS..EExtended strand (participates in β ladder)trans-95.5115.6174-66.5158.8000107.1L16 I37 F47 V49 L74 L93 V97 I126 I128L16-I95 HydrophobicContact CD2-CD1 3.39Å; I37-I95 HydrophobicContact CD1-CD1 4.15Å; I37-I95 HydrophobicContact CD1-CG2 3.89Å; I37-I95 HydrophobicContact CG1-CD1 4.42Å; F47-I95 HydrophobicContact CB-CG2 4.21Å; V49-I95 HydrophobicContact CG1-CG1 4.44Å; V49-I95 HydrophobicContact CG2-CG1 4.21Å; L74-I95 HydrophobicContact CD1-CD1 3.63Å; L74-I95 HydrophobicContact CD1-CG1 4.23Å; L93-I95 HydrophobicContact CD2-CD1 4Å; L93-I95 HydrophobicContact CD2-CG1 3.8Å; I95-V97 HydrophobicContact CG2-CG1 3.89Å; I95-I126 PolarHBondContact N-O 2.82Å; I95-I126 PolarHBondContact O-N 2.83Å; I95-I128 HydrophobicContact CD1-CD1 3.52Å; I95-I128 HydrophobicContact CG1-CD1 4.49Å
96L94.9Very high87.3Confident5 Ų557.5 Ų57.53%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-90.1133.7170.2-6492.3000107.7F47 K48 K50 T94 W113 Q123 R124 R125F47-L96 CarbonylContact C-O 3.59Å; F47-L96 WeakPolarHBondContact CA-O 3.42Å; K48-L96 PolarHBondContact N-O 3.09Å; K48-L96 PolarHBondContact O-N 3.02Å; K50-L96 HydrophobicContact CB-CD1 4.34Å; K50-L96 HydrophobicContact CD-CD1 3.76Å; K50-L96 HydrophobicContact CG-CD1 3.8Å; T94-L96 HydrophobicContact CG2-CD1 4.28Å; L96-W113 HydrophobicContact CB-CH2 3.59Å; L96-W113 HydrophobicContact CB-CZ2 4.48Å; L96-W113 HydrophobicContact CB-CZ3 3.81Å; L96-W113 HydrophobicContact CD2-CZ3 4.47Å; L96-Q123 VanDerWaalsContact CD2-OE1 3.24Å; L96-R124 CarbonylContact C-O 3.53Å; L96-R124 WeakPolarHBondContact CA-O 3.27Å; L96-R125 HydrophobicContact CD2-CG 4.15Å; L96-R125 HydrophobicContact CG-CG 4.15Å
97V95.3Very high87.8Confident0 Ų063.9 Ų63.90%035%0.352CS..EExtended strand (participates in β ladder)trans-125144.4176.2-61.20000109.9L11 V14 V45 A46 F47 I95 Q123 R124 I126L11-V97 HydrophobicContact CD2-CB 4.42Å; L11-V97 HydrophobicContact CD2-CG2 4.04Å; V14-V97 HydrophobicContact CG1-CG1 4.18Å; V45-V97 HydrophobicContact CG1-CB 3.9Å; V45-V97 HydrophobicContact CG1-CG1 4.4Å; A46-V97 CarbonylContact O-C 3.44Å; A46-V97 VanDerWaalsContact O-CA 3.3Å; A46-V97 WeakPolarHBondContact O-CA 3.41Å; F47-V97 HydrophobicContact CB-CG1 4.05Å; I95-V97 HydrophobicContact CG2-CG1 3.89Å; V97-Q123 CarbonylContact O-C 3.56Å; V97-Q123 VanDerWaalsContact O-CA 3.23Å; V97-Q123 WeakPolarHBondContact O-CA 3.25Å; V97-R124 HydrophobicContact CG2-CB 3.73Å; V97-R124 HydrophobicContact CG2-CG 4.43Å; V97-R124 PolarHBondContact N-O 3.44Å; V97-R124 PolarHBondContact O-N 3.15Å; V97-I126 HydrophobicContact CG2-CD1 4.26Å
98A94.1Very high88.6Confident0 Ų068.5 Ų68.50%036%0.36CS..EExtended strand (participates in β ladder)trans-147.5150.7179.500000110.4V45 A46 W113 P120V45-A98 CarbonylContact C-O 3.59Å; V45-A98 WeakPolarHBondContact CA-O 3.35Å; A46-A98 PolarHBondContact N-O 3.39Å; A46-A98 PolarHBondContact O-N 2.95Å; A98-W113 HydrophobicContact CB-CH2 3.96Å; A98-W113 HydrophobicContact CB-CZ2 4.33Å; A98-P120 HydrophobicContact CB-CB 3.51Å; A98-P120 HydrophobicContact CB-CG 3.51Å
99I92.5Very high89.1Confident16 Ų1667.5 Ų67.58%0.08236%0.355CS..EExtended strand (participates in β ladder)trans-74.8136.2175.6-54.9-53000108.8E7 L10 L11 V45E7-I99 HydrophobicContact CB-CG1 4.26Å; E7-I99 HydrophobicContact CG-CG1 4.48Å; L10-I99 HydrophobicContact CB-CD1 3.7Å; L10-I99 HydrophobicContact CB-CG1 4.25Å; L10-I99 HydrophobicContact CD1-CD1 4.34Å; L10-I99 HydrophobicContact CD1-CG1 4.39Å; L11-I99 HydrophobicContact CD2-CD1 3.63Å; L11-I99 HydrophobicContact CD2-CG1 3.92Å; L11-I99 HydrophobicContact CG-CD1 4.07Å; L11-I99 HydrophobicContact CG-CG1 4.11Å; V45-I99 HydrophobicContact CG2-CD1 3.88Å
100V90.8Very high89.5Confident13 Ų1366 Ų668%0.07935%0.347CS..PPolyproline II helixtrans-81.6122.1170.8-1790000107.5S44 A46 I65 E102 Y106S44-V100 WeakPolarHBondContact O-CB 3.37Å; S44-V100 PolarHBondContact O-N 2.84Å; A46-V100 HydrophobicContact CB-CG2 3.92Å; I65-V100 HydrophobicContact CG2-CG2 4.06Å; V100-E102 PolarHBondContact O-N 3.07Å; V100-Y106 HydrophobicContact CG1-CD2 3.94Å; V100-Y106 HydrophobicContact CG1-CE2 3.67Å
101P85.7Confident89.8Confident55 Ų5559.7 Ų59.736%0.35732%0.32SS..PPolyproline II helixtrans-57138.9179.6-25.434.9000111.9G103 K104P101-G103 PolarHBondContact O-N 2.78Å; P101-K104 HydrophobicContact CB-CB 4.44Å; P101-K104 HydrophobicContact CB-CD 4.04Å; P101-K104 HydrophobicContact CB-CG 4.19Å; P101-K104 HydrophobicContact CG-CD 4.11Å; P101-K104 PolarHBondContact O-N 2.79Å
102E81.9Confident89.7Confident180 Ų18059.5 Ų59.584%0.84132%0.32SS*.THydrogen-bonded Turntrans-61136.1177.3-63.1-171.116500110.6V100 K104V100-E102 PolarHBondContact O-N 3.07Å; E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 2.81Å
103G81.2Confident89.6Confident86 Ų8653.1 Ų53.189%0.88730%0.295SS*.THydrogen-bonded Turntrans83.3-11.3-17700000115.6P101P101-G103 PolarHBondContact O-N 2.78Å
104K82.1Confident89.3Confident83 Ų8360.2 Ų60.236%0.36133%0.327SS..  trans-89.6122.5172.5-67.8-167.7-178.6-1770110.8P101 E102 Y106 D117P101-K104 HydrophobicContact CB-CB 4.44Å; P101-K104 HydrophobicContact CB-CD 4.04Å; P101-K104 HydrophobicContact CB-CG 4.19Å; P101-K104 HydrophobicContact CG-CD 4.11Å; P101-K104 PolarHBondContact O-N 2.79Å; E102-K104 VanDerWaalsContact C-N 3.29Å; E102-K104 PolarHBondContact O-N 2.81Å; K104-Y106 HydrophobicContact CB-CE2 3.75Å; K104-Y106 WeakPolarHBondContact CD-OH 3.26Å; K104-D117 IonicContact NZ-OD1 3.1Å; K104-D117 PolarHBondContact NZ-OD1 2.65Å; K104-D117 VanDerWaalsContact NZ-OD1 3.1Å; K104-D117 IonicContact NZ-OD2 2.74Å; K104-D117 PolarHBondContact NZ-OD2 2.92Å
105T82.8Confident88.7Confident135 Ų13560.7 Ų60.783%0.82834%0.335SS*.  trans-103.6143.2167.550.20000109.4
106Y85.5Confident87.8Confident50 Ų5066.2 Ų66.220%0.19638%0.381CS..  trans-123.6126.4-179.7-64.8-89.2000108.2I65 V100 K104 E111 V112I65-Y106 HydrophobicContact CD1-CD2 4.44Å; V100-Y106 HydrophobicContact CG1-CD2 3.94Å; V100-Y106 HydrophobicContact CG1-CE2 3.67Å; K104-Y106 HydrophobicContact CB-CE2 3.75Å; K104-Y106 WeakPolarHBondContact CD-OH 3.26Å; Y106-E111 HydrophobicContact CD1-CB 3.74Å; Y106-E111 HydrophobicContact CE1-CB 4.44Å; Y106-V112 HydrophobicContact CD1-CG2 3.73Å; Y106-V112 HydrophobicContact CD2-CG2 3.58Å; Y106-V112 HydrophobicContact CE1-CB 4.42Å; Y106-V112 HydrophobicContact CE1-CG2 3.89Å; Y106-V112 HydrophobicContact CE2-CG2 3.78Å; Y106-V112 HydrophobicContact CG-CG2 3.54Å
107N86.3Confident86.8Confident154 Ų15471.9 Ų71.982%0.82441%0.412SS*.SBendtrans-69-42.1177.1-71.5-38.2000110.1E111N107-E111 PolarHBondContact N-OE2 2.71Å
108K90.8Very high85.8Confident141 Ų14173.1 Ų73.161%0.61342%0.424SS*.SBendtrans-116.8129.6177.3-66.3172.4-176.2168.40109.9S110 E111K108-S110 PolarHBondContact O-N 3.34Å; K108-E111 HydrophobicContact CB-CG 4.13Å; K108-E111 PolarHBondContact N-OE2 3.07Å; K108-E111 WeakPolarHBondContact O-CB 3.4Å; K108-E111 PolarHBondContact O-N 3.3Å
109P90Very high85.3Confident46 Ų4676.9 Ų76.930%0.29945%0.448SS..THydrogen-bonded Turntrans-56-21.7175.9-28.134.8000115G64 I65 E111G64-P109 VanDerWaalsContact CA-CB 3.5Å; I65-P109 HydrophobicContact CG1-CB 4.14Å; I65-P109 HydrophobicContact CG1-CG 4.46Å; P109-E111 VanDerWaalsContact C-N 3.31Å
110S91Very high85Confident34 Ų3477.3 Ų77.324%0.23845%0.452CS..THydrogen-bonded Turntrans-69.3-25.917652.70000113.7K108 V112 W113 K114K108-S110 PolarHBondContact O-N 3.34Å; S110-V112 VanDerWaalsContact C-N 3.29Å; S110-V112 PolarHBondContact O-N 2.82Å; S110-W113 PolarHBondContact O-N 3.03Å; S110-K114 WeakPolarHBondContact O-CB 3.13Å; S110-K114 PolarHBondContact O-N 2.68Å
111E91Very high84.7Confident78 Ų7886.6 Ų86.636%0.36449%0.492SS..Hα-helixtrans-65.1-33.2-178.1-68.2178.699.900111.9Y106 N107 K108 P109 W113 K114 G115Y106-E111 HydrophobicContact CD1-CB 3.74Å; Y106-E111 HydrophobicContact CE1-CB 4.44Å; N107-E111 PolarHBondContact N-OE2 2.71Å; K108-E111 HydrophobicContact CB-CG 4.13Å; K108-E111 PolarHBondContact N-OE2 3.07Å; K108-E111 WeakPolarHBondContact O-CB 3.4Å; K108-E111 PolarHBondContact O-N 3.3Å; P109-E111 VanDerWaalsContact C-N 3.31Å; E111-W113 PolarHBondContact O-N 2.56Å; E111-K114 PolarHBondContact O-N 2.98Å; E111-G115 VanDerWaalsContact O-CA 3.26Å; E111-G115 WeakPolarHBondContact O-CA 3.35Å; E111-G115 PolarHBondContact O-N 2.84Å
112V90Very high84.9Confident5 Ų586.9 Ų86.93%0.0349%0.49CS..Hα-helixtrans-56.5-28.1172.7-173.10000111.9A46 I65 Y106 S110 P120A46-V112 HydrophobicContact CB-CB 4.02Å; A46-V112 HydrophobicContact CB-CG1 3.62Å; A46-V112 HydrophobicContact CB-CG2 4.06Å; I65-V112 HydrophobicContact CD1-CG2 4.09Å; Y106-V112 HydrophobicContact CD1-CG2 3.73Å; Y106-V112 HydrophobicContact CD2-CG2 3.58Å; Y106-V112 HydrophobicContact CE1-CB 4.42Å; Y106-V112 HydrophobicContact CE1-CG2 3.89Å; Y106-V112 HydrophobicContact CE2-CG2 3.78Å; Y106-V112 HydrophobicContact CG-CG2 3.54Å; S110-V112 VanDerWaalsContact C-N 3.29Å; S110-V112 PolarHBondContact O-N 2.82Å; V112-P120 HydrophobicContact CG1-CG 3.86Å; V112-P120 WeakPolarHBondContact O-CD 3.11Å
113W90.2Very high85.3Confident12 Ų1281.3 Ų81.35%0.04546%0.464CS..Hα-helixtrans-107.5-18-174-59.393.2000114.7A46 F47 K48 Y63 L96 A98 S110 E111A46-W113 HydrophobicContact CB-CZ2 4.34Å; F47-W113 PolarHBondContact O-NE1 3.14Å; K48-W113 HydrophobicContact CB-CD2 3.62Å; K48-W113 VanDerWaalsContact CB-CE2 3.42Å; K48-W113 HydrophobicContact CB-CE3 4.09Å; K48-W113 HydrophobicContact CB-CG 4.05Å; K48-W113 HydrophobicContact CB-CH2 4.21Å; K48-W113 HydrophobicContact CB-CZ2 3.75Å; K48-W113 HydrophobicContact CB-CZ3 4.36Å; K48-W113 HydrophobicContact CD-CB 4.17Å; K48-W113 HydrophobicContact CD-CD2 3.89Å; K48-W113 HydrophobicContact CD-CE3 4Å; K48-W113 HydrophobicContact CD-CG 3.97Å; K48-W113 HydrophobicContact CG-CD2 4.41Å; Y63-W113 AromaticContact CD1-CD1 3.7Å; Y63-W113 HydrophobicContact CD1-CG 4.24Å; Y63-W113 HydrophobicContact CE1-CB 4.26Å; Y63-W113 HydrophobicContact CE1-CG 4.29Å; L96-W113 HydrophobicContact CB-CH2 3.59Å; L96-W113 HydrophobicContact CB-CZ2 4.48Å; L96-W113 HydrophobicContact CB-CZ3 3.81Å; L96-W113 HydrophobicContact CD2-CZ3 4.47Å; A98-W113 HydrophobicContact CB-CH2 3.96Å; A98-W113 HydrophobicContact CB-CZ2 4.33Å; S110-W113 PolarHBondContact O-N 3.03Å; E111-W113 PolarHBondContact O-N 2.56Å
114K88.9Confident85.9Confident150 Ų15081.3 Ų81.365%0.65244%0.437SS*.Hα-helixtrans-126.7-6.5-173.4-65-172.4177.9-1730113.2S110 E111S110-K114 WeakPolarHBondContact O-CB 3.13Å; S110-K114 PolarHBondContact O-N 2.68Å; E111-K114 PolarHBondContact O-N 2.98Å
115G81.6Confident86.5Confident31 Ų3185 Ų8532%0.3245%0.449SS..SBendtrans-73.8-176.8-175.800000113.2E111 D117 G118E111-G115 VanDerWaalsContact O-CA 3.26Å; E111-G115 WeakPolarHBondContact O-CA 3.35Å; E111-G115 PolarHBondContact O-N 2.84Å; G115-D117 VanDerWaalsContact C-N 3.29Å; G115-D117 PolarHBondContact O-N 2.88Å; G115-G118 WeakPolarHBondContact O-CA 3.12Å; G115-G118 PolarHBondContact O-N 2.91Å
116A76.1Confident87.1Confident116 Ų11679.4 Ų79.496%0.95941%0.414SS*.THydrogen-bonded Turntrans-60.6-32.9-174.600000114G118A116-G118 PolarHBondContact O-N 3.16Å
117D74.3Confident87.5Confident125 Ų12580.6 Ų80.667%0.66843%0.427SS*.THydrogen-bonded Turntrans-70.7-3174.4-76.7-88.7000113.6K104 G115K104-D117 IonicContact NZ-OD1 3.1Å; K104-D117 PolarHBondContact NZ-OD1 2.65Å; K104-D117 VanDerWaalsContact NZ-OD1 3.1Å; K104-D117 IonicContact NZ-OD2 2.74Å; K104-D117 PolarHBondContact NZ-OD2 2.92Å; G115-D117 VanDerWaalsContact C-N 3.29Å; G115-D117 PolarHBondContact O-N 2.88Å
118G74.1Confident87.9Confident25 Ų2573.2 Ų73.226%0.25839%0.388SS..  trans69.9-172.2-17500000112.8G115 A116G115-G118 WeakPolarHBondContact O-CA 3.12Å; G115-G118 PolarHBondContact O-N 2.91Å; A116-G118 PolarHBondContact O-N 3.16Å
119P83.9Confident88Confident79 Ų7968.8 Ų68.851%0.51338%0.378SS..SBendtrans-64145.6170.828.8-33.6000109.8K121P119-K121 PolarHBondContact O-N 2.89Å
120P86.4Confident88.1Confident26 Ų2667 Ų6717%0.16937%0.366CS..  trans-57.7138.1-178.8-2637.7000111.5A98 V112 N122A98-P120 HydrophobicContact CB-CB 3.51Å; A98-P120 HydrophobicContact CB-CG 3.51Å; V112-P120 HydrophobicContact CG1-CG 3.86Å; V112-P120 WeakPolarHBondContact O-CD 3.11Å; P120-N122 PolarHBondContact O-N 3.02Å
121K84.8Confident88.1Confident207 Ų20770.2 Ų70.290%0.938%0.377SS*.SBendtrans-59-48.9-177.3-67179.8-178.5175.40111.3P119P119-K121 PolarHBondContact O-N 2.89Å
122N89Confident87.9Confident61 Ų6167.7 Ų67.733%0.32636%0.364SS..SBendtrans-94.7116.3176.1-65.1-31.6000109.6E7 L11 P120E7-N122 HydrophobicContact CB-CB 4.25Å; E7-N122 VanDerWaalsContact OE2-CB 3.29Å; E7-N122 WeakPolarHBondContact OE2-CB 3.45Å; E7-N122 PolarHBondContact OE2-ND2 3.1Å; L11-N122 HydrophobicContact CD1-CB 4.41Å; P120-N122 PolarHBondContact O-N 3.02Å
123Q92.1Very high87.6Confident63 Ų6370.1 Ų70.129%0.29438%0.377SS..  trans-141.5140.3178.560.2-179.1-1800109.8L96 V97L96-Q123 VanDerWaalsContact CD2-OE1 3.24Å; V97-Q123 CarbonylContact O-C 3.56Å; V97-Q123 VanDerWaalsContact O-CA 3.23Å; V97-Q123 WeakPolarHBondContact O-CA 3.25Å
124R93.9Very high86.6Confident86 Ų8672.9 Ų72.933%0.32540%0.396SS..EExtended strand (participates in β ladder)trans-105.6136.9172.7-178.7-176-178.7-152.35.3109.2L11 E12 V14 L96 V97 I126L11-R124 HydrophobicContact CB-CB 3.85Å; L11-R124 HydrophobicContact CD1-CB 4.27Å; L11-R124 WeakPolarHBondContact O-CD 3.49Å; L11-R124 PolarHBondContact O-NH1 3.14Å; E12-R124 VanDerWaalsContact C-NH1 3.33Å; E12-R124 PolarHBondContact O-NH1 3.42Å; V14-R124 PolarHBondContact O-NH1 3.35Å; L96-R124 CarbonylContact C-O 3.53Å; L96-R124 WeakPolarHBondContact CA-O 3.27Å; V97-R124 HydrophobicContact CG2-CB 3.73Å; V97-R124 HydrophobicContact CG2-CG 4.43Å; V97-R124 PolarHBondContact N-O 3.44Å; V97-R124 PolarHBondContact O-N 3.15Å; R124-I126 HydrophobicContact CG-CG1 4.24Å
125R94.5Very high85.3Confident162 Ų16273.5 Ų73.561%0.61140%0.401SS*.EExtended strand (participates in β ladder)trans-106.8120.4178.2-58.7-175178.7179.82.7109T94 L96 P127T94-R125 HydrophobicContact CG2-CB 4.07Å; L96-R125 HydrophobicContact CD2-CG 4.15Å; L96-R125 HydrophobicContact CG-CG 4.15Å; R125-P127 WeakPolarHBondContact O-CD 3.29Å
126I94.1Very high84Confident16 Ų1675.8 Ų75.88%0.08241%0.408CS..EExtended strand (participates in β ladder)trans-112.4103.8179.8-52.3173.8000107.6L16 I95 V97 R124L16-I126 HydrophobicContact CD1-CB 4.18Å; L16-I126 HydrophobicContact CD1-CD1 3.41Å; L16-I126 VanDerWaalsContact CD1-CD1 3.41Å; L16-I126 HydrophobicContact CD1-CG1 4.35Å; L16-I126 HydrophobicContact CD1-CG2 3.73Å; L16-I126 HydrophobicContact CD2-CG2 4.08Å; L16-I126 HydrophobicContact CG-CG2 4.48Å; I95-I126 PolarHBondContact N-O 2.82Å; I95-I126 PolarHBondContact O-N 2.83Å; V97-I126 HydrophobicContact CG2-CD1 4.26Å; R124-I126 HydrophobicContact CG-CG1 4.24Å
127P94.4Very high83.1Confident75 Ų7571.9 Ų71.949%0.48737%0.37SS..EExtended strand (participates in β ladder)trans-78139.5177.931.7-32.9000110.9R125R125-P127 WeakPolarHBondContact O-CD 3.29Å
128I94.3Very high82.2Confident0 Ų067.6 Ų67.60%035%0.347CS..EExtended strand (participates in β ladder)trans-112.8116.7166-62.8165.8000107.5L16 T19 F21 V35 R92 L93 I95L16-I128 HydrophobicContact CD2-CD1 3.8Å; L16-I128 HydrophobicContact CD2-CG1 4.16Å; T19-I128 CarbonylContact O-C 3.54Å; T19-I128 VanDerWaalsContact O-CA 3.25Å; T19-I128 WeakPolarHBondContact O-CA 3.26Å; F21-I128 HydrophobicContact CD2-CG2 3.54Å; F21-I128 HydrophobicContact CE2-CB 4.46Å; F21-I128 HydrophobicContact CE2-CD1 4.09Å; F21-I128 HydrophobicContact CE2-CG2 3.44Å; F21-I128 VanDerWaalsContact CE2-CG2 3.44Å; F21-I128 HydrophobicContact CG-CG2 4.25Å; F21-I128 HydrophobicContact CZ-CD1 4.33Å; F21-I128 HydrophobicContact CZ-CG2 4.04Å; V35-I128 HydrophobicContact CG1-CD1 4.15Å; R92-I128 WeakPolarHBondContact CA-O 3.31Å; L93-I128 HydrophobicContact CB-CB 4.38Å; L93-I128 HydrophobicContact CD2-CD1 3.78Å; L93-I128 PolarHBondContact N-O 2.75Å; L93-I128 PolarHBondContact O-N 2.75Å; I95-I128 HydrophobicContact CD1-CD1 3.52Å; I95-I128 HydrophobicContact CG1-CD1 4.49Å
129A93.8Very high81.3Confident48 Ų4869.5 Ų69.540%0.39736%0.36SS..EExtended strand (participates in β ladder)trans-75.3140.3178.100000110.7T19 N20 F21T19-A129 PolarHBondContact O-N 2.87Å; N20-A129 CarbonylContact C-O 3.55Å; N20-A129 VanDerWaalsContact CA-O 3.3Å; N20-A129 WeakPolarHBondContact CA-O 3.3Å; F21-A129 PolarHBondContact N-O 3.19Å
130I92.1Very high79.9Confident9 Ų971.6 Ų71.65%0.04636%0.362CS..EExtended strand (participates in β ladder)trans-106.7117173.2-50.5-59.7000108.4F21 I23 L57 D91 Y132F21-I130 HydrophobicContact CB-CD1 4.03Å; F21-I130 HydrophobicContact CD2-CD1 3.79Å; F21-I130 HydrophobicContact CG-CD1 4.41Å; I23-I130 HydrophobicContact CD1-CD1 4.43Å; I23-I130 HydrophobicContact CD1-CG2 3.72Å; I23-I130 HydrophobicContact CG1-CG2 4.17Å; L57-I130 HydrophobicContact CD1-CD1 4.34Å; L57-I130 HydrophobicContact CD2-CD1 3.94Å; L57-I130 HydrophobicContact CD2-CG1 3.67Å; D91-I130 HydrophobicContact CB-CB 4.03Å; D91-I130 HydrophobicContact CB-CG1 4.26Å; D91-I130 WeakPolarHBondContact O-CB 3.3Å; D91-I130 PolarHBondContact O-N 3.34Å; I130-Y132 HydrophobicContact CG2-CD1 4.3Å; I130-Y132 HydrophobicContact CG2-CE1 3.71Å; I130-Y132 HydrophobicContact CG2-CE2 4.08Å
131E90.4Very high78.4Confident100 Ų10071 Ų7147%0.46736%0.36SS..EExtended strand (participates in β ladder)trans-106.3124.1176.5-62.4-171.5119.100109F21 K22 I23F21-E131 PolarHBondContact O-N 2.73Å; K22-E131 CarbonylContact C-O 3.55Å; K22-E131 WeakPolarHBondContact CA-O 3.49Å; I23-E131 PolarHBondContact N-O 3.46Å
132Y87.3Confident77.1Confident26 Ų2663.9 Ų63.910%0.10234%0.34CS..EExtended strand (participates in β ladder)trans-95127.1-179-64.7-67.4000111I23 P25 F78 F86 V88 T89 D91 I130 T134I23-Y132 HydrophobicContact CB-CD1 4.31Å; I23-Y132 HydrophobicContact CB-CE1 4.43Å; I23-Y132 VanDerWaalsContact O-CA 3.3Å; I23-Y132 WeakPolarHBondContact O-CA 3.14Å; P25-Y132 HydrophobicContact CG-CD1 3.67Å; P25-Y132 HydrophobicContact CG-CE1 4.45Å; P25-Y132 HydrophobicContact CG-CG 4.28Å; F78-Y132 HydrophobicContact CD2-CE1 4.42Å; F78-Y132 AromaticContact CE2-CE1 3.64Å; F78-Y132 HydrophobicContact CE2-CE1 3.64Å; F78-Y132 WeakPolarHBondContact CE2-OH 3.25Å; F78-Y132 AromaticContact CZ-CE1 3.68Å; F78-Y132 HydrophobicContact CZ-CE1 3.68Å; F86-Y132 HydrophobicContact CE1-CD1 4.17Å; F86-Y132 HydrophobicContact CE1-CD2 4.43Å; F86-Y132 HydrophobicContact CE1-CE1 4.04Å; F86-Y132 HydrophobicContact CE1-CE2 4.29Å; F86-Y132 HydrophobicContact CE1-CG 4.34Å; F86-Y132 AromaticContact CZ-CE1 3.95Å; F86-Y132 HydrophobicContact CZ-CE1 3.95Å; F86-Y132 HydrophobicContact CZ-CE2 4.17Å; F86-Y132 AromaticContact CZ-CZ 3.73Å; V88-Y132 HydrophobicContact CG1-CD2 3.74Å; V88-Y132 HydrophobicContact CG1-CG 4.14Å; T89-Y132 WeakPolarHBondContact O-CE2 3.25Å; D91-Y132 HydrophobicContact CB-CE2 4.02Å; D91-Y132 WeakPolarHBondContact CB-OH 3.46Å; D91-Y132 WeakPolarHBondContact OD2-CE2 3.41Å; D91-Y132 PolarHBondContact OD2-OH 3.24Å; I130-Y132 HydrophobicContact CG2-CD1 4.3Å; I130-Y132 HydrophobicContact CG2-CE1 3.71Å; I130-Y132 HydrophobicContact CG2-CE2 4.08Å; Y132-T134 PolarHBondContact O-N 3.49Å
133D82.8Confident75.6Confident55 Ų5564 Ų6429%0.29435%0.35SS..  trans-83103.1169.6-171.1-13.7000109.3I23 K24 P25 Q135I23-D133 PolarHBondContact O-N 2.84Å; K24-D133 HydrophobicContact CB-CB 4.23Å; P25-D133 VanDerWaalsContact CD-O 3.31Å; P25-D133 WeakPolarHBondContact CD-O 3.39Å; D133-Q135 PolarHBondContact OD1-N 2.95Å
134T68.8Low74Confident71 Ų7164.2 Ų64.244%0.43636%0.362SS..  trans-85.2-8.1-172.855.70000113.8V88 Y132 V136V88-T134 HydrophobicContact CB-CG2 4.48Å; V88-T134 HydrophobicContact CG1-CG2 4.15Å; V88-T134 HydrophobicContact CG2-CG2 3.83Å; Y132-T134 PolarHBondContact O-N 3.49Å; T134-V136 PolarHBondContact O-N 3.06Å
135Q61.8Low72.2Confident163 Ų16362.3 Ų62.376%0.76237%0.365SS*.SBendtrans-82.5-15.3-163.6-66.3-167.6-36.500115D133D133-Q135 PolarHBondContact OD1-N 2.95Å
136V54.6Low70.5Confident79 Ų7958 Ų5848%0.47936%0.363SS..SBendtrans-124.7-9.6-162.8-161.70000115.6K24 T134K24-V136 HydrophobicContact CD-CB 4.11Å; K24-V136 VanDerWaalsContact NZ-CB 3.28Å; T134-V136 PolarHBondContact O-N 3.06Å
137E58Low68.6Low33 Ų3359.4 Ų59.415%0.15438%0.382CS..SBendtrans-133.2-30.1175.7-89.5-175.594.100114.4K24 P25 S26 A139 E140 A141K24-E137 VanDerWaalsContact CE-OE2 3.26Å; K24-E137 WeakPolarHBondContact CE-OE2 3.45Å; P25-E137 VanDerWaalsContact O-CB 3.29Å; P25-E137 WeakPolarHBondContact O-CB 3.07Å; S26-E137 VanDerWaalsContact CA-CD 3.44Å; S26-E137 WeakPolarHBondContact CA-OE1 3.35Å; S26-E137 WeakPolarHBondContact CA-OE2 3.47Å; S26-E137 VanDerWaalsContact CB-CD 3.46Å; S26-E137 WeakPolarHBondContact CB-OE1 3.45Å; S26-E137 WeakPolarHBondContact CB-OE2 3.36Å; S26-E137 VanDerWaalsContact OG-CD 3.3Å; S26-E137 PolarHBondContact OG-OE1 3.36Å; S26-E137 PolarHBondContact OG-OE2 2.95Å; E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 3.27Å; E137-E140 PolarHBondContact O-N 3.4Å; E137-A141 PolarHBondContact O-N 2.84Å
138M54.4Low66.7Low36 Ų3659.8 Ų59.818%0.17739%0.392CS..Hα-helixtrans-69.4-28.6177.9-63.2-64.6-78.900112.3M27 L81 F86 A142M27-M138 HydrophobicContact CE-SD 4.42Å; L81-M138 HydrophobicContact CD1-SD 3.86Å; F86-M138 HydrophobicContact CB-CE 3.67Å; F86-M138 HydrophobicContact CB-SD 4.15Å; F86-M138 HydrophobicContact CD1-CE 4.26Å; F86-M138 HydrophobicContact CG-CE 4.48Å; F86-M138 WeakPolarHBondContact O-CE 3.37Å; M138-A142 VanDerWaalsContact O-CB 3.25Å; M138-A142 WeakPolarHBondContact O-CB 3.29Å; M138-A142 PolarHBondContact O-N 3.14Å
139A55Low64.4Low64 Ų6463 Ų6353%0.52943%0.425SS..Hα-helixtrans-67.2-39173.500000112.3E137 A143E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 3.27Å; A139-A143 VanDerWaalsContact O-CB 3.29Å; A139-A143 WeakPolarHBondContact O-CB 3.31Å; A139-A143 PolarHBondContact O-N 3.48Å; A139-A143 VanDerWaalsContact O-N 3.07Å
140E54.9Low62.3Low123 Ų12364.8 Ų64.858%0.57544%0.439SS*.Hα-helixtrans-71.1-40.3177.6-167.5174.9106.800110.9K28 E137 A143 A144K28-E140 IonicContact NZ-OE1 3.55Å; E137-E140 PolarHBondContact O-N 3.4Å; E140-A143 PolarHBondContact O-N 3.41Å; E140-A144 WeakPolarHBondContact O-CB 3.4Å; E140-A144 PolarHBondContact O-N 3.11Å
141A55.7Low60Low13 Ų1368.6 Ų68.611%0.10747%0.472CS..Hα-helixtrans-68.9-40.6177.300000113.1M27 P84 E137 A144 A145M27-A141 HydrophobicContact CE-CB 4.14Å; P84-A141 HydrophobicContact CB-CB 4.04Å; E137-A141 PolarHBondContact O-N 2.84Å; A141-A144 PolarHBondContact O-N 3Å; A141-A145 WeakPolarHBondContact O-CB 2.98Å; A141-A145 PolarHBondContact O-N 3.48Å
142A57Low57.6Low59 Ų5968.6 Ų68.649%0.48849%0.489SS..Hα-helixtrans-66.7-39.2175.300000111.9M138 A145 A146M138-A142 VanDerWaalsContact O-CB 3.25Å; M138-A142 WeakPolarHBondContact O-CB 3.29Å; M138-A142 PolarHBondContact O-N 3.14Å; A142-A145 PolarHBondContact O-N 3.47Å; A142-A146 VanDerWaalsContact O-CB 3.31Å; A142-A146 WeakPolarHBondContact O-CB 3.25Å; A142-A146 PolarHBondContact O-N 3.07Å
143A57.8Low55.7Low64 Ų6477 Ų7753%0.52953%0.526SS..Hα-helixtrans-65.1-40.8174.300000112.1A139 E140 A146 G147A139-A143 VanDerWaalsContact O-CB 3.29Å; A139-A143 WeakPolarHBondContact O-CB 3.31Å; A139-A143 PolarHBondContact O-N 3.48Å; A139-A143 VanDerWaalsContact O-N 3.07Å; E140-A143 PolarHBondContact O-N 3.41Å; A143-A146 PolarHBondContact O-N 3.09Å; A143-G147 PolarHBondContact O-N 3.38Å
144A57.4Low53.6Low67 Ų6780.1 Ų80.155%0.55455%0.55SS*.Hα-helixtrans-65.6-42.4176.100000112.4E140 A141 G147 A148E140-A144 WeakPolarHBondContact O-CB 3.4Å; E140-A144 PolarHBondContact O-N 3.11Å; A141-A144 PolarHBondContact O-N 3Å; A144-G147 PolarHBondContact O-N 2.9Å; A144-A148 PolarHBondContact O-N 2.95Å; A144-A148 VanDerWaalsContact O-N 3.09Å
145A57.9Low52.3Low46 Ų4686.2 Ų86.238%0.3857%0.573SS.*Hα-helixtrans-66.8-39.3176.800000112.2A141 A142A141-A145 WeakPolarHBondContact O-CB 2.98Å; A141-A145 PolarHBondContact O-N 3.48Å; A142-A145 PolarHBondContact O-N 3.47Å
146A58.2Low51.3Low70 Ų7087.6 Ų87.658%0.57958%0.579SS**Hα-helixtrans-69.1-34.917500000112.5A142 A143A142-A146 VanDerWaalsContact O-CB 3.31Å; A142-A146 WeakPolarHBondContact O-CB 3.25Å; A142-A146 PolarHBondContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.09Å
147G54Low50.8Low46 Ų4694 Ų9447%0.47460%0.601SS.*Hα-helixtrans-69.9-33.7177.200000113.9A143 A144 G149 A150A143-G147 PolarHBondContact O-N 3.38Å; A144-G147 PolarHBondContact O-N 2.9Å; G147-G149 VanDerWaalsContact C-N 3.32Å; G147-G149 PolarHBondContact O-N 3.48Å; G147-A150 PolarHBondContact O-N 2.94Å
148A53.3Low49.9Very low84 Ų84101.1 Ų101.169%0.69463%0.631SS**Hα-helixtrans-71.8-23.6177.700000113.4A144A144-A148 PolarHBondContact O-N 2.95Å; A144-A148 VanDerWaalsContact O-N 3.09Å
149G47Very low49.3Very low68 Ų68106.1 Ų106.170%0.70165%0.654SS**THydrogen-bonded Turntrans-83.5-9.7177.200000115.3G147G147-G149 VanDerWaalsContact C-N 3.32Å; G147-G149 PolarHBondContact O-N 3.48Å
150A50Low48.6Very low85 Ų85111.1 Ų111.170%0.70267%0.667SS**SBendtrans-105.44.1-172.100000114.6G147G147-A150 PolarHBondContact O-N 2.94Å
151A43.3Very low47.8Very low89 Ų89109.7 Ų109.774%0.73667%0.67SS**  trans-100.431-174.900000114.9
152A40.8Very low47Very low99 Ų99117.9 Ų117.982%0.81870%0.703SS**  trans-96.992.6164.600000109.3
153K46.9Very low46.1Very low204 Ų204122.2 Ų122.289%0.88771%0.711SS**  trans-77.8162.1175.3-99.9-171.5177.5-179.10111.8
154P38.8Very low45.2Very low120 Ų120125.5 Ų125.578%0.77972%0.716SS**  trans-94.9154.3-147.237.7-34.7000113.7
155E41.6Very low44.4Very low199 Ų199129.6 Ų129.693%0.9372%0.723SS**  trans-122.2114.9163.4-120.4-179.5101.200109.8
156E41Very low43.5Very low191 Ų191131.6 Ų131.689%0.89374%0.735SS**  trans-64.5127.3168.3-78.7172.672.800110.4
157K44.4Very low42.6Very low213 Ų213137 Ų13793%0.92675%0.745SS**  trans-149.4130.6142.7-120.5171.6-173.5173.80111.9
158K39.1Very low41.9Very low183 Ų183142.2 Ų142.280%0.79676%0.755SS**  trans-74.8158.7-170.7-168.2-176.3178.4-163.90111.9
159E41.1Very low41.2Very low141 Ų141146 Ų14666%0.65976%0.758SS**  trans106.597.8145-133.9154.5105.100118.2
160E39.9Very low41Very low170 Ų170147.7 Ų147.779%0.79477%0.765SS**  trans67.5127.2131.3-92.1-175.57500123.4
161S38.8Very low40.7Very low92 Ų92148.2 Ų148.264%0.64377%0.77SS**  trans96.587.8131.2-68.40000119
162K39.3Very low40.6Very low186 Ų186153.2 Ų153.281%0.80978%0.775SS**  91119.3110-152.5176.4-176.4176.60118.5
163K38.2Very low40.6Very low149 Ų149152.8 Ų152.865%0.64876%0.763SS**  trans86.5123.7142.4-107.8-169.7-179.5-133.40119.7
164E39.1Very low40.4Very low134 Ų134151.8 Ų151.863%0.62676%0.762SS**  trans60.8141.6132.9-88.7167.950.700117.8
165E40.6Very low40.7Very low152 Ų152150.8 Ų150.871%0.7176%0.764SS**  cis-172.4155.6-11.4-141.3-17275.200102.8
166S39Very low40.8Very low89 Ų89150.7 Ų150.762%0.62276%0.76SS**  trans63.8103.2144.8-57.30000118.5
167K39Very low41Very low183 Ų183150.7 Ų150.780%0.79676%0.757SS**  112.511362.3-174.5172.7-173-175.40110.8
168K39.5Very low41Very low156 Ų156148.8 Ų148.868%0.67875%0.749SS**  trans64.3116.1143-78.5-178169.2-96.90122.2
169E38.4Very low41Very low164 Ų164148.1 Ų148.177%0.76675%0.749SS**  64102.3117.3-73.3176.482.600119.8
170A42.3Very low41Very low103 Ų103145.5 Ų145.585%0.85176%0.76SS**  trans-123.8155.7142.500000105.7
171A43.1Very low41.1Very low96 Ų96146.2 Ų146.279%0.79376%0.763SS**  cis-169.7152.3-9.500000105.6
172K41.4Very low41.7Very low193 Ų193151.4 Ų151.484%0.83978%0.777SS**  trans-66178.5158.1-137.9-170165-178.10108.7
173P40.9Very low42.1Very low90 Ų90151.2 Ų151.258%0.58478%0.779SS**  cis-148.2-176.61.839-15000118
174E42.9Very low42.9Very low183 Ų183152.9 Ų152.986%0.85579%0.789SS**  trans62.1125.6141.6-81.8176.3100.200124.7
175A44.6Very low43.5Very low99 Ų99155.6 Ų155.682%0.81880%0.802SS**  173.7119.8125.800000109.9
176K45.6Very low43.7Very low198 Ų198157.1 Ų157.186%0.86181%0.809SS**  84.4134.270-126-179.2-169.1174.70115.3
177K44.9Very low44.4Very low190 Ų190162.3 Ų162.383%0.82682%0.823SS**  trans87.8146.1164.3-66.5-177.5175.41770117.3
178K44.2Very low44.8Very low173 Ų173162.5 Ų162.575%0.75283%0.827SS**  cis-164.5169-2-132.9-172169.8-162.80110
179E39.4Very low45.4Very low169 Ų169164.7 Ų164.779%0.7984%0.84SS**  trans-46.4160.3174.3-65.4144.8147.400118
180G41Very low45.9Very low86 Ų86166 Ų16689%0.88785%0.846SS**  trans-175.2118.2159.100000112
181E41.7Very low45.9Very low186 Ų186164.9 Ų164.987%0.86984%0.844SS**  trans-117130.8-178.6-179.6179.5149.300106.8
182E51.6Low46.2Very low201 Ų201164.2 Ų164.294%0.93985%0.846SS**  trans-143127.8170.2-75.4-176.2157.100110.3
183E46.2Very low46.5Very low182 Ų182165 Ų16585%0.8585%0.853SS**  trans-86.2147.8167.4-67177.9135.600110.1
184E55.1Low47.2Very low184 Ų184164.1 Ų164.186%0.8686%0.86SS**  trans-145109.5157.8-86.5-174.6160.800105.5
185E52.5Low47.9Very low190 Ų190164 Ų16489%0.88886%0.86SS**  93.1135.780.4-88.6-168.2172.300113.7
186E44.9Very low48.3Very low184 Ų184168 Ų16886%0.8686%0.862SS**  trans-80.1160.6-170.8-62.7173.8140.800112.7
187E52.9Low48.9Very low198 Ų198168 Ų16893%0.92587%0.865SS**  trans-156.3127.4141.5-115.7179-173.300110.5
188E48.1Very low49.4Very low188 Ų188168.3 Ų168.388%0.87987%0.869SS**  trans-77.3150.5173.7-60.4-179.8138.600110.8
189E52.4Low50.6Low202 Ų202163.8 Ų163.894%0.94487%0.872SS**  trans-154.8139.2137.1-135.7-175.7168.500111.7
190E47.6Very low51.5Low192 Ų192169.2 Ų169.290%0.89790%0.897SS**  trans-87.5165.3-168.5-161.5-177.5-166.700111.9
191G43Very low52.1Low78 Ų78173.4 Ų173.480%0.80490%0.897SS**  trans121.4117.9146.400000117.4
192G48.9Very low52.6Low82 Ų82172.7 Ų172.785%0.84590%0.899SS**  trans149.564.6154.900000116.2
193E49.2Very low52.7Low209 Ų209171.1 Ų171.198%0.97790%0.897SS**  trans-69.5145.3155.3-77.9175.8123.600110.2
194G53.9Low53Low72 Ų72170.5 Ų170.574%0.74290%0.899SS**  trans-159.6108.3172.400000110.5
195E58Low52.9Low180 Ų180169.6 Ų169.684%0.84190%0.902SS**  trans-16.1130.8164.9-78.8158.2105.800116.6
196E52.7Low52.9Low184 Ų184168.3 Ų168.386%0.8690%0.903SS**  60.8108.383.1-67.8-169.2177.400114.1
197E58.2Low53.5Low197 Ų197167.1 Ų167.192%0.92191%0.906SS**  trans-153.8113.2138.3-146.9178.2173.200109.6
198E56.1Low53.6Low198 Ų198164.8 Ų164.893%0.92590%0.904SS**  trans-68.6143.2165.9-67.8-177.8138.900109.9
199G68.8Low54Low78 Ų78162.8 Ų162.880%0.80491%0.907SS**  trans-142.2114.9168.900000109.4
200E59.6Low54.2Low282 Ų282159.3 Ų159.3100%1.31890%0.903SS**  trans-31.70171-101.6171.688.600116.9

Retrieved 200 of 200 residues in 114.4 ms (Link to these results)

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