A0A077ZHJ5_TRITR Loading...

Pathogenesis related protein 1a

AlphaFold DB , UniProt , Accession A0A077ZHJ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 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
1M77.7Confident88.5Confident57 Ų5757.3 Ų57.328%0.28129%0.285SS..  01380-67.2-172.66500109.4M77 N111 K130 C131M1-M77 HydrophobicContact CE-CE 4.06Å; M1-M77 HydrophobicContact CE-SD 4.02Å; M1-M77 HydrophobicContact SD-CE 3.48Å; M1-M77 WeakPolarHBondContact SD-CE 3.35Å; M1-M77 HydrophobicContact SD-SD 4.18Å; M1-N111 WeakPolarHBondContact CG-ND2 3.44Å; M1-K130 WeakPolarHBondContact O-CA 3.37Å; M1-C131 PolarHBondContact O-N 3.32Å
2G80Confident88.9Confident11 Ų1158.5 Ų58.511%0.11329%0.293CS..BIsolated β-bridgetrans-78.6155.7167.400000112.2Y79 C131G2-Y79 PolarHBondContact N-O 3.39Å; G2-C131 CarbonylContact C-O 3.59Å; G2-C131 VanDerWaalsContact CA-O 3.27Å; G2-C131 WeakPolarHBondContact CA-O 3.25Å
3C83.2Confident89Confident44 Ų4455.3 Ų55.330%0.29728%0.278SS..PPolyproline II helixtrans-65.2144157.7-92.20000109.7C131 C132C3-C131 PolarHBondContact N-O 2.71Å; C3-C132 HydrophobicContact CB-CB 3.61Å; C3-C132 WeakPolarHBondContact CB-SG 3.03Å; C3-C132 WeakPolarHBondContact SG-CB 3.31Å; C3-C132 CovalentContact SG-SG 2.03Å; C3-C132 PolarHBondContact SG-SG 2.76Å
4M83.9Confident89.1Confident65 Ų6551.4 Ų51.432%0.3226%0.259SS..EExtended strand (participates in β ladder)trans-93147.4163.9-68.6-178.4-73.100109.1W49 G82 I84 F100M4-W49 HydrophobicContact CE-CH2 3.53Å; M4-W49 HydrophobicContact CE-CZ2 3.78Å; M4-W49 HydrophobicContact CE-CZ3 4.43Å; M4-G82 VanDerWaalsContact CA-O 3.3Å; M4-G82 WeakPolarHBondContact CA-O 3.39Å; M4-I84 HydrophobicContact CB-CB 4.48Å; M4-I84 HydrophobicContact CB-CG2 3.98Å; M4-I84 HydrophobicContact CE-CD1 4.35Å; M4-I84 HydrophobicContact SD-CB 4.26Å; M4-I84 HydrophobicContact SD-CD1 4.2Å; M4-F100 HydrophobicContact CE-CE1 4.15Å; M4-F100 HydrophobicContact SD-CD1 3.59Å; M4-F100 VanDerWaalsContact SD-CD1 3.59Å; M4-F100 HydrophobicContact SD-CE1 3.58Å; M4-F100 VanDerWaalsContact SD-CE1 3.58Å
5T86.9Confident89Confident58 Ų5854.7 Ų54.736%0.35627%0.271SS..EExtended strand (participates in β ladder)trans-112.7136.8176.8-44.70000109.2G82 K83 I84 F135T5-G82 PolarHBondContact N-O 2.77Å; T5-K83 CarbonylContact O-C 3.33Å; T5-K83 VanDerWaalsContact O-CA 3.26Å; T5-K83 WeakPolarHBondContact O-CA 3.11Å; T5-I84 PolarHBondContact O-N 2.66Å; T5-F135 HydrophobicContact CG2-CZ 4.32Å
6W90Very high88.8Confident131 Ų13162 Ų6250%0.49629%0.294SS..EExtended strand (participates in β ladder)trans-65.2139.2173.9-177.3-96.4000110.5E8 V11 I84 C86W6-E8 PolarHBondContact NE1-OE1 3.1Å; W6-E8 VanDerWaalsContact NE1-OE1 3.13Å; W6-V11 HydrophobicContact CH2-CG2 3.8Å; W6-V11 HydrophobicContact CZ2-CG2 3.2Å; W6-I84 CarbonylContact C-O 3.58Å; W6-I84 WeakPolarHBondContact CA-O 3.09Å; W6-C86 HydrophobicContact CH2-CB 4.21Å; W6-C86 VanDerWaalsContact CH2-N 3.26Å; W6-C86 HydrophobicContact CZ3-CB 4.16Å
7D93.9Very high88.3Confident30 Ų3059 Ų5916%0.1628%0.282CS..  trans-146.8131.6-178.3-173-82.4000112.6E9 M10 V11 K83 I84D7-E9 VanDerWaalsContact C-N 3.35Å; D7-E9 PolarHBondContact O-N 3.03Å; D7-E9 WeakPolarHBondContact OD1-CA 3.49Å; D7-E9 WeakPolarHBondContact OD1-CB 3.41Å; D7-E9 PolarHBondContact OD1-N 3.45Å; D7-M10 HydrophobicContact CB-CB 4.46Å; D7-M10 HydrophobicContact CB-CG 4.17Å; D7-M10 PolarHBondContact O-N 3.21Å; D7-M10 PolarHBondContact OD1-N 3.37Å; D7-V11 PolarHBondContact O-N 3.45Å; D7-K83 HydrophobicContact CB-CB 3.53Å; D7-K83 HydrophobicContact CB-CD 3.95Å; D7-K83 HydrophobicContact CB-CG 3.72Å; D7-K83 VanDerWaalsContact OD2-CD 3.25Å; D7-K83 WeakPolarHBondContact OD2-CD 3.4Å; D7-K83 WeakPolarHBondContact OD2-CE 3.41Å; D7-K83 IonicContact OD2-NZ 2.76Å; D7-K83 PolarHBondContact OD2-NZ 3.13Å; D7-I84 PolarHBondContact N-O 2.79Å
8E95.9Very high87.7Confident111 Ų11158.4 Ų58.452%0.51928%0.279SS..Hα-helixtrans-69.8-27.2-177.2-70.7-59.7138.700113.7W6 M10 V11 N12W6-E8 PolarHBondContact NE1-OE1 3.1Å; W6-E8 VanDerWaalsContact NE1-OE1 3.13Å; E8-M10 VanDerWaalsContact C-N 3.33Å; E8-V11 WeakPolarHBondContact O-CB 3.29Å; E8-V11 PolarHBondContact O-N 3.29Å; E8-N12 VanDerWaalsContact O-CG 3.26Å; E8-N12 PolarHBondContact O-N 3.25Å; E8-N12 PolarHBondContact O-ND2 3.37Å; E8-N12 VanDerWaalsContact O-ND2 3.14Å
9E95.3Very high86.6Confident110 Ų11058.8 Ų58.851%0.51429%0.286SS..Hα-helixtrans-65.8-41.5173.9-168.2-178.8178.400110.3D7 V11 N12 T13D7-E9 VanDerWaalsContact C-N 3.35Å; D7-E9 PolarHBondContact O-N 3.03Å; D7-E9 WeakPolarHBondContact OD1-CA 3.49Å; D7-E9 WeakPolarHBondContact OD1-CB 3.41Å; D7-E9 PolarHBondContact OD1-N 3.45Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 3.02Å; E9-N12 PolarHBondContact O-N 3.33Å; E9-T13 PolarHBondContact O-N 3.07Å; E9-T13 PolarHBondContact O-OG1 2.98Å
10M93.9Very high85.4Confident4 Ų462.9 Ų62.92%0.0231%0.309CS..Hα-helixtrans-64.3-37.9174.8-63.8-59.398.500111.6D7 E8 N12 T13 A14 K83 V99 E101D7-M10 HydrophobicContact CB-CB 4.46Å; D7-M10 HydrophobicContact CB-CG 4.17Å; D7-M10 PolarHBondContact O-N 3.21Å; D7-M10 PolarHBondContact OD1-N 3.37Å; E8-M10 VanDerWaalsContact C-N 3.33Å; M10-N12 VanDerWaalsContact C-N 3.34Å; M10-N12 PolarHBondContact O-N 2.85Å; M10-T13 PolarHBondContact O-N 3.18Å; M10-A14 WeakPolarHBondContact O-CB 3.42Å; M10-A14 PolarHBondContact O-N 3.5Å; M10-K83 HydrophobicContact CG-CB 3.66Å; M10-V99 HydrophobicContact SD-CG1 3.93Å; M10-E101 HydrophobicContact SD-CB 4.32Å
11V93.3Very high84.6Confident9 Ų960.7 Ų60.76%0.05530%0.3CS..Hα-helixtrans-60.8-44.2172.3175.90000110.9W6 D7 E8 E9 T13 A14 K15W6-V11 HydrophobicContact CH2-CG2 3.8Å; W6-V11 HydrophobicContact CZ2-CG2 3.2Å; D7-V11 PolarHBondContact O-N 3.45Å; E8-V11 WeakPolarHBondContact O-CB 3.29Å; E8-V11 PolarHBondContact O-N 3.29Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 3.02Å; V11-T13 VanDerWaalsContact C-N 3.35Å; V11-A14 WeakPolarHBondContact O-CB 3.48Å; V11-A14 PolarHBondContact O-N 2.9Å; V11-K15 HydrophobicContact CG1-CD 4.37Å; V11-K15 WeakPolarHBondContact O-CG 3.29Å; V11-K15 PolarHBondContact O-N 3.14Å
12N92.4Very high84.1Confident72 Ų7263.2 Ų63.239%0.38531%0.313SS..Hα-helixtrans-67.7-35.5178.8-70.2-32.5000112.3E8 E9 M10 K15 R16E8-N12 VanDerWaalsContact O-CG 3.26Å; E8-N12 PolarHBondContact O-N 3.25Å; E8-N12 PolarHBondContact O-ND2 3.37Å; E8-N12 VanDerWaalsContact O-ND2 3.14Å; E9-N12 PolarHBondContact O-N 3.33Å; M10-N12 VanDerWaalsContact C-N 3.34Å; M10-N12 PolarHBondContact O-N 2.85Å; N12-K15 PolarHBondContact O-N 3.45Å; N12-R16 WeakPolarHBondContact O-CG 3.44Å; N12-R16 PolarHBondContact O-N 2.93Å; N12-R16 PolarHBondContact O-NE 3.16Å
13T91.2Very high83.3Confident17 Ų1764.7 Ų64.710%0.10432%0.318CS..Hα-helixtrans-65.4-40.3170.8-63.30000111.4E9 M10 V11 K15 R16 A17 F33 V99E9-T13 PolarHBondContact O-N 3.07Å; E9-T13 PolarHBondContact O-OG1 2.98Å; M10-T13 PolarHBondContact O-N 3.18Å; V11-T13 VanDerWaalsContact C-N 3.35Å; T13-K15 PolarHBondContact O-N 3.33Å; T13-R16 PolarHBondContact O-N 3.48Å; T13-R16 PolarHBondContact OG1-NH2 3.04Å; T13-A17 PolarHBondContact O-N 3.21Å; T13-F33 HydrophobicContact CG2-CZ 4.24Å; T13-V99 HydrophobicContact CG2-CG1 3.87Å; T13-V99 HydrophobicContact CG2-CG2 4.38Å
14A89.6Confident82.3Confident0 Ų069.4 Ų69.40%033%0.334CS..Hα-helixtrans-60.4-46.4173.900000111.6M10 V11 R16 A17 Q18 V87 I97 V99M10-A14 WeakPolarHBondContact O-CB 3.42Å; M10-A14 PolarHBondContact O-N 3.5Å; V11-A14 WeakPolarHBondContact O-CB 3.48Å; V11-A14 PolarHBondContact O-N 2.9Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.17Å; A14-A17 PolarHBondContact O-N 2.84Å; A14-Q18 WeakPolarHBondContact O-CB 3.24Å; A14-Q18 PolarHBondContact O-N 2.89Å; A14-Q18 VanDerWaalsContact O-N 3.07Å; A14-V87 HydrophobicContact CB-CB 4.15Å; A14-V87 HydrophobicContact CB-CG1 3.6Å; A14-I97 HydrophobicContact CB-CG2 4.3Å; A14-V99 VanDerWaalsContact CA-CG2 3.45Å; A14-V99 HydrophobicContact CB-CB 4.32Å; A14-V99 HydrophobicContact CB-CG2 3.54Å
15K88Confident81.2Confident101 Ų10171.6 Ų71.644%0.43936%0.356SS..Hα-helixtrans-58.6-38.7174.6-73.3170.2-176.6165.10112.6V11 N12 T13 Q18 V87V11-K15 HydrophobicContact CG1-CD 4.37Å; V11-K15 WeakPolarHBondContact O-CG 3.29Å; V11-K15 PolarHBondContact O-N 3.14Å; N12-K15 PolarHBondContact O-N 3.45Å; T13-K15 PolarHBondContact O-N 3.33Å; K15-Q18 WeakPolarHBondContact O-CB 3.36Å; K15-Q18 PolarHBondContact O-N 3.13Å; K15-V87 HydrophobicContact CG-CB 4.3Å; K15-V87 HydrophobicContact CG-CG2 3.85Å
16R85.8Confident80.2Confident172 Ų17271.1 Ų71.165%0.64935%0.351SS*.Hα-helixtrans-70.3-35.4177.2-74.8-178-71.3-169.72.2112.5N12 T13 A14 Q18N12-R16 WeakPolarHBondContact O-CG 3.44Å; N12-R16 PolarHBondContact O-N 2.93Å; N12-R16 PolarHBondContact O-NE 3.16Å; T13-R16 PolarHBondContact O-N 3.48Å; T13-R16 PolarHBondContact OG1-NH2 3.04Å; A14-R16 VanDerWaalsContact C-N 3.3Å; A14-R16 PolarHBondContact O-N 3.17Å; R16-Q18 PolarHBondContact O-N 3.03Å
17A81Confident79.3Confident11 Ų1167.5 Ų67.59%0.09135%0.349CS..Hα-helixtrans-72.7-18.4175.500000113T13 A14 T19 F33T13-A17 PolarHBondContact O-N 3.21Å; A14-A17 PolarHBondContact O-N 2.84Å; A17-T19 PolarHBondContact O-N 3.19Å; A17-T19 VanDerWaalsContact O-N 3.1Å; A17-F33 HydrophobicContact CB-CD1 4.23Å; A17-F33 HydrophobicContact CB-CE1 3.62Å
18Q77.1Confident78.5Confident48 Ų4874 Ų7422%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-82.376.5-179.5-171.2-172.9-0.300110.9A14 K15 R16 V87 K88 C89 I97A14-Q18 WeakPolarHBondContact O-CB 3.24Å; A14-Q18 PolarHBondContact O-N 2.89Å; A14-Q18 VanDerWaalsContact O-N 3.07Å; K15-Q18 WeakPolarHBondContact O-CB 3.36Å; K15-Q18 PolarHBondContact O-N 3.13Å; R16-Q18 PolarHBondContact O-N 3.03Å; Q18-V87 HydrophobicContact CB-CG1 4.49Å; Q18-V87 VanDerWaalsContact OE1-CG2 3.27Å; Q18-K88 PolarHBondContact NE2-O 3.06Å; Q18-C89 HydrophobicContact CG-CB 3.7Å; Q18-C89 WeakPolarHBondContact CG-SG 3.48Å; Q18-C89 PolarHBondContact NE2-SG 3.14Å; Q18-I97 HydrophobicContact CB-CD1 3.9Å; Q18-I97 HydrophobicContact CG-CD1 4.13Å
19T67.4Low78Confident67 Ų6770.4 Ų70.441%0.41137%0.371SS..EExtended strand (participates in β ladder)trans-106.6124.5162.5-31.40000108.1A17 C21 I22A17-T19 PolarHBondContact O-N 3.19Å; A17-T19 VanDerWaalsContact O-N 3.1Å; T19-C21 VanDerWaalsContact C-N 3.27Å; T19-C21 PolarHBondContact O-N 3.19Å; T19-I22 PolarHBondContact O-N 3.22Å
20D62Low77.7Confident139 Ų13972.6 Ų72.674%0.74338%0.381SS*.THydrogen-bonded Turntrans61.121.4-178-53.7-38.1000116.4I22D20-I22 HydrophobicContact CB-CD1 4.25Å; D20-I22 HydrophobicContact CB-CG1 4.07Å; D20-I22 WeakPolarHBondContact O-CG1 3.38Å; D20-I22 PolarHBondContact O-N 3.47Å
21C68.7Low77.5Confident18 Ų1873.8 Ų73.812%0.12239%0.386CS..THydrogen-bonded Turntrans57.524-173.3-560000114.5T19 C89 G91T19-C21 VanDerWaalsContact C-N 3.27Å; T19-C21 PolarHBondContact O-N 3.19Å; C21-C89 WeakPolarHBondContact CA-SG 2.95Å; C21-C89 HydrophobicContact CB-CB 3.68Å; C21-C89 WeakPolarHBondContact CB-SG 3.4Å; C21-C89 PolarHBondContact N-SG 2.9Å; C21-C89 VanDerWaalsContact SG-C 3.54Å; C21-C89 WeakPolarHBondContact SG-CB 3.21Å; C21-C89 CovalentContact SG-SG 2.01Å; C21-C89 PolarHBondContact SG-SG 3.46Å; C21-G91 PolarHBondContact SG-N 2.86Å; C21-G91 VanDerWaalsContact SG-N 3.38Å
22I66.6Low77.3Confident109 Ų10973.4 Ų73.456%0.55938%0.384SS*.EExtended strand (participates in β ladder)trans-117.4135.3175.5-28.3-179.4000107.2T19 D20 K24T19-I22 PolarHBondContact O-N 3.22Å; D20-I22 HydrophobicContact CB-CD1 4.25Å; D20-I22 HydrophobicContact CB-CG1 4.07Å; D20-I22 WeakPolarHBondContact O-CG1 3.38Å; D20-I22 PolarHBondContact O-N 3.47Å; I22-K24 PolarHBondContact O-N 3.05Å
23L63.5Low77.2Confident42 Ų4271.5 Ų71.522%0.2237%0.372CS..EExtended strand (participates in β ladder)trans-71.4105.4169.6-130.4137.4000107.1N26 F33 L35 I97L23-N26 HydrophobicContact CD2-CB 4.35Å; L23-N26 WeakPolarHBondContact CD2-ND2 3.44Å; L23-F33 HydrophobicContact CD1-CB 3.91Å; L23-F33 HydrophobicContact CD1-CD1 4.34Å; L23-F33 HydrophobicContact CD2-CB 3.59Å; L23-F33 HydrophobicContact CD2-CD1 3.83Å; L23-F33 HydrophobicContact CD2-CG 3.75Å; L23-F33 HydrophobicContact CG-CB 4.37Å; L23-F33 HydrophobicContact CG-CD1 4.38Å; L23-L35 HydrophobicContact CD1-CB 3.79Å; L23-L35 HydrophobicContact CD1-CD1 4.28Å; L23-I97 HydrophobicContact CD1-CG1 4.25Å; L23-I97 HydrophobicContact CD1-CG2 3.98Å
24K62.2Low77Confident143 Ų14370.7 Ų70.762%0.62237%0.368SS*.  trans-57.1143.3165.6-94.5-173.7176.2175.90107.9I22 N26I22-K24 PolarHBondContact O-N 3.05Å; K24-N26 PolarHBondContact O-N 2.01Å; K24-N26 PolarHBondContact O-OD1 3.45Å
25S60.6Low76.7Confident112 Ų11272.6 Ų72.678%0.78338%0.378SS*.  trans-48.6107.6176.9-179.90000109.8A27S25-A27 VanDerWaalsContact C-N 3.31Å
26N65.8Low76.4Confident48 Ų4868.4 Ų68.426%0.25736%0.36SS..  trans-104.134.8176.2-68.9-25.4000109.4L23 K24 D28 S29 F33L23-N26 HydrophobicContact CD2-CB 4.35Å; L23-N26 WeakPolarHBondContact CD2-ND2 3.44Å; K24-N26 PolarHBondContact O-N 2.01Å; K24-N26 PolarHBondContact O-OD1 3.45Å; N26-D28 PolarHBondContact O-N 3.21Å; N26-D28 VanDerWaalsContact O-N 3.16Å; N26-S29 WeakPolarHBondContact O-CB 2.97Å; N26-S29 PolarHBondContact O-N 2.76Å; N26-F33 HydrophobicContact CB-CD2 3.8Å; N26-F33 HydrophobicContact CB-CE2 3.71Å; N26-F33 HydrophobicContact CB-CG 4.43Å; N26-F33 HydrophobicContact CB-CZ 4.26Å; N26-F33 WeakPolarHBondContact ND2-CD1 3.15Å; N26-F33 WeakPolarHBondContact ND2-CE1 3.43Å; N26-F33 VanDerWaalsContact ND2-CZ 3.29Å; N26-F33 WeakPolarHBondContact ND2-CZ 3.33Å
27A70.6Confident76.1Confident54 Ų5464.7 Ų64.745%0.44636%0.358SS..THydrogen-bonded Turntrans-55.1-35.2-175.800000111.9S25 K103S25-A27 VanDerWaalsContact C-N 3.31Å; A27-K103 PolarHBondContact O-NZ 3.38Å
28D77.2Confident76Confident167 Ų16766 Ų6689%0.89337%0.366SS*.THydrogen-bonded Turntrans-92.71.7-177.6-54.1-37.8000113.9N26N26-D28 PolarHBondContact O-N 3.21Å; N26-D28 VanDerWaalsContact O-N 3.16Å
29S85.5Confident76Confident35 Ų3565.2 Ų65.225%0.24537%0.366CS..  trans-72.6142.6178.3-1710000111.6N26 H31 F33 K103N26-S29 WeakPolarHBondContact O-CB 2.97Å; N26-S29 PolarHBondContact O-N 2.76Å; S29-H31 PolarHBondContact O-N 3.29Å; S29-H31 PolarHBondContact OG-N 3.28Å; S29-H31 VanDerWaalsContact OG-N 3.13Å; S29-F33 WeakPolarHBondContact OG-CE2 3.08Å; S29-K103 WeakPolarHBondContact O-CD 3.47Å
30E88.5Confident76.2Confident156 Ų15670.6 Ų70.673%0.72939%0.393SS*.SBendtrans-71.2-17167.766-171.3144.600112.9K103E30-K103 WeakPolarHBondContact O-CB 3.24Å; E30-K103 PolarHBondContact O-N 3.46Å
31H91.3Very high76.8Confident30 Ų3065.9 Ų65.914%0.13937%0.37CS..SBendtrans-89.7147.2179.1-59.6-45.5000112.3S29 F33 V99 F100 E101S29-H31 PolarHBondContact O-N 3.29Å; S29-H31 PolarHBondContact OG-N 3.28Å; S29-H31 VanDerWaalsContact OG-N 3.13Å; H31-F33 HydrophobicContact CB-CE2 3.84Å; H31-F33 HydrophobicContact CB-CZ 4.24Å; H31-F33 WeakPolarHBondContact O-CD2 3.37Å; H31-F33 WeakPolarHBondContact O-CE2 3.34Å; H31-V99 HydrophobicContact CB-CG1 3.84Å; H31-F100 WeakPolarHBondContact CA-O 3.19Å; H31-F100 VanDerWaalsContact CB-O 3.31Å; H31-F100 WeakPolarHBondContact CB-O 3.25Å; H31-E101 PolarHBondContact ND1-O 2.81Å
32G89.6Confident76.6Confident1 Ų171.7 Ų71.71%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-81.7142.9171.200000110.5Q75 V99 F100G32-Q75 VanDerWaalsContact CA-OE1 3.3Å; G32-V99 CarbonylContact O-C 3.57Å; G32-V99 WeakPolarHBondContact O-CA 3.08Å; G32-F100 PolarHBondContact N-O 3.46Å; G32-F100 PolarHBondContact O-N 3.19Å
33F88.5Confident76.7Confident31 Ų3172.7 Ų72.714%0.13640%0.4CS..EExtended strand (participates in β ladder)trans-128.9134.8177-69.2-96.3000109.9T13 A17 L23 N26 S29 H31 I97 C98 V99T13-F33 HydrophobicContact CG2-CZ 4.24Å; A17-F33 HydrophobicContact CB-CD1 4.23Å; A17-F33 HydrophobicContact CB-CE1 3.62Å; L23-F33 HydrophobicContact CD1-CB 3.91Å; L23-F33 HydrophobicContact CD1-CD1 4.34Å; L23-F33 HydrophobicContact CD2-CB 3.59Å; L23-F33 HydrophobicContact CD2-CD1 3.83Å; L23-F33 HydrophobicContact CD2-CG 3.75Å; L23-F33 HydrophobicContact CG-CB 4.37Å; L23-F33 HydrophobicContact CG-CD1 4.38Å; N26-F33 HydrophobicContact CB-CD2 3.8Å; N26-F33 HydrophobicContact CB-CE2 3.71Å; N26-F33 HydrophobicContact CB-CG 4.43Å; N26-F33 HydrophobicContact CB-CZ 4.26Å; N26-F33 WeakPolarHBondContact ND2-CD1 3.15Å; N26-F33 WeakPolarHBondContact ND2-CE1 3.43Å; N26-F33 VanDerWaalsContact ND2-CZ 3.29Å; N26-F33 WeakPolarHBondContact ND2-CZ 3.33Å; S29-F33 WeakPolarHBondContact OG-CE2 3.08Å; H31-F33 HydrophobicContact CB-CE2 3.84Å; H31-F33 HydrophobicContact CB-CZ 4.24Å; H31-F33 WeakPolarHBondContact O-CD2 3.37Å; H31-F33 WeakPolarHBondContact O-CE2 3.34Å; F33-I97 HydrophobicContact CD1-CG2 4.38Å; F33-C98 WeakPolarHBondContact CA-O 3.34Å; F33-V99 HydrophobicContact CD1-CG2 3.6Å; F33-V99 HydrophobicContact CE1-CB 4.44Å; F33-V99 HydrophobicContact CE1-CG1 4.27Å; F33-V99 HydrophobicContact CE1-CG2 3.37Å; F33-V99 HydrophobicContact CZ-CG1 4.32Å; F33-V99 HydrophobicContact CZ-CG2 4.21Å
34V87.7Confident77.1Confident1 Ų173.4 Ų73.41%0.00640%0.404CS..EExtended strand (participates in β ladder)trans-127.2128170.2171.20000108.3M36 D72 Q75 I97 C98 F100V34-M36 HydrophobicContact CG1-CE 4.04Å; V34-M36 HydrophobicContact CG1-CG 3.83Å; V34-M36 HydrophobicContact CG1-SD 4.1Å; V34-D72 HydrophobicContact CG1-CB 4.16Å; V34-D72 HydrophobicContact CG2-CB 4.11Å; V34-Q75 HydrophobicContact CG2-CB 4.1Å; V34-Q75 HydrophobicContact CG2-CG 3.97Å; V34-I97 WeakPolarHBondContact O-CA 3.18Å; V34-C98 PolarHBondContact N-O 2.03Å; V34-C98 PolarHBondContact O-N 3.49Å; V34-F100 HydrophobicContact CB-CE2 3.95Å; V34-F100 HydrophobicContact CG2-CE2 3.54Å; V34-F100 HydrophobicContact CG2-CZ 4.07Å
35L83.5Confident77.5Confident39 Ų3967 Ų6720%0.20438%0.376CS..EExtended strand (participates in β ladder)trans-107.7124.9173.2-175.785.3000108.8L23 K68 T95 V96 I97L23-L35 HydrophobicContact CD1-CB 3.79Å; L23-L35 HydrophobicContact CD1-CD1 4.28Å; L35-K68 PolarHBondContact O-NZ 3.3Å; L35-T95 HydrophobicContact CD1-CG2 4.49Å; L35-V96 WeakPolarHBondContact CA-O 3.49Å; L35-I97 HydrophobicContact CD1-CD1 4.2Å; L35-I97 HydrophobicContact CD1-CG1 3.5Å; L35-I97 VanDerWaalsContact CD1-CG1 3.5Å
36M80.8Confident77.9Confident13 Ų1364.7 Ų64.76%0.06436%0.358CS..EExtended strand (participates in β ladder)trans-129.3155176.7-70.2179.6-66.700111.7V34 Y45 M48 W49 T95 V96V34-M36 HydrophobicContact CG1-CE 4.04Å; V34-M36 HydrophobicContact CG1-CG 3.83Å; V34-M36 HydrophobicContact CG1-SD 4.1Å; M36-Y45 HydrophobicContact CB-CD1 4.41Å; M36-Y45 HydrophobicContact CE-CD1 3.61Å; M36-Y45 HydrophobicContact CE-CG 4Å; M36-Y45 HydrophobicContact SD-CD1 4.28Å; M36-M48 HydrophobicContact CB-CE 3.83Å; M36-M48 HydrophobicContact CG-CE 4.07Å; M36-M48 HydrophobicContact SD-CB 4.18Å; M36-M48 HydrophobicContact SD-CE 3.55Å; M36-M48 VanDerWaalsContact SD-CE 3.55Å; M36-W49 HydrophobicContact SD-CB 4.2Å; M36-T95 CarbonylContact O-C 3.58Å; M36-T95 WeakPolarHBondContact O-CA 3.33Å; M36-T95 WeakPolarHBondContact O-CB 3.31Å; M36-V96 PolarHBondContact N-O 2.86Å; M36-V96 PolarHBondContact O-N 2.91Å
37P80.3Confident77.9Confident95 Ų9571 Ų7162%0.61738%0.378SS*.EExtended strand (participates in β ladder)trans-56.7142.8162.1-16.930000109.5S39 Y45P37-S39 PolarHBondContact O-N 2.85Å; P37-Y45 WeakPolarHBondContact O-CE1 3.49Å
38S79.2Confident77.9Confident37 Ų3772.1 Ų72.126%0.25938%0.375SS..PPolyproline II helixtrans-67.1129.1173.566.10000110.3Y45 S94S38-Y45 WeakPolarHBondContact CA-OH 3.31Å; S38-S94 PolarHBondContact N-O 2.03Å; S38-S94 WeakPolarHBondContact OG-CB 3.31Å; S38-S94 PolarHBondContact OG-O 3.38Å
39S77.5Confident77.6Confident32 Ų3265.6 Ų65.622%0.22434%0.338CS..PPolyproline II helixtrans-96.4154162.9174.10000110.1P37 S41 D44 Y45P37-S39 PolarHBondContact O-N 2.85Å; S39-S41 PolarHBondContact O-N 2.77Å; S39-S41 PolarHBondContact OG-N 2.86Å; S39-D44 PolarHBondContact OG-OD2 3.13Å; S39-Y45 PolarHBondContact N-OH 2.85Å; S39-Y45 PolarHBondContact O-OH 2.84Å
40D69.8Low76.7Confident181 Ų18165.8 Ų65.897%0.96834%0.342SS*.SBendtrans-62.2-24.6168.9-64.7-28.8000112.1
41S75Confident75.7Confident39 Ų3962.7 Ų62.727%0.27333%0.333SS..  trans-111.7120.5-177.6158.30000111.6S39 L43 D44S39-S41 PolarHBondContact O-N 2.77Å; S39-S41 PolarHBondContact OG-N 2.86Å; S41-L43 PolarHBondContact O-N 2.7Å; S41-L43 PolarHBondContact OG-N 3.08Å; S41-D44 VanDerWaalsContact CB-CG 3.44Å; S41-D44 WeakPolarHBondContact CB-OD1 3.43Å; S41-D44 WeakPolarHBondContact CB-OD2 3.33Å; S41-D44 WeakPolarHBondContact O-CB 3.34Å; S41-D44 PolarHBondContact O-N 2.67Å; S41-D44 VanDerWaalsContact OG-CG 3.31Å; S41-D44 PolarHBondContact OG-N 2.94Å; S41-D44 PolarHBondContact OG-OD1 2.88Å
42F64.9Low74.3Confident140 Ų14068.4 Ų68.461%0.61436%0.36SS*.THydrogen-bonded Turntrans-60.2-27.1171.7-102.3-81.7000113.2D44 Y45 P46F42-D44 PolarHBondContact O-N 3.47Å; F42-Y45 HydrophobicContact CB-CD2 4.48Å; F42-Y45 AromaticContact CD1-CD2 3.88Å; F42-Y45 HydrophobicContact CD1-CD2 3.88Å; F42-Y45 AromaticContact CD1-CE2 3.93Å; F42-Y45 HydrophobicContact CD1-CE2 3.93Å; F42-Y45 HydrophobicContact CE1-CD2 4.46Å; F42-Y45 HydrophobicContact CE1-CE2 4.3Å; F42-Y45 HydrophobicContact CG-CD2 4.31Å; F42-Y45 HydrophobicContact CG-CE2 4.13Å; F42-Y45 WeakPolarHBondContact O-CD2 2.99Å; F42-P46 WeakPolarHBondContact O-CD 3.34Å
43L68.7Low73.5Confident131 Ų13169.5 Ų69.569%0.68637%0.366SS*.THydrogen-bonded Turntrans-73.3-14.5177.7-64.8176000112.7S41 P46S41-L43 PolarHBondContact O-N 2.7Å; S41-L43 PolarHBondContact OG-N 3.08Å; L43-P46 WeakPolarHBondContact O-CD 3.32Å
44D72Confident73.2Confident56 Ų5672.7 Ų72.730%0.29939%0.392SS..THydrogen-bonded Turntrans-79.3-31.6179.2-62.2-3.6000111S39 S41 F42 P46 R47 M48S39-D44 PolarHBondContact OG-OD2 3.13Å; S41-D44 VanDerWaalsContact CB-CG 3.44Å; S41-D44 WeakPolarHBondContact CB-OD1 3.43Å; S41-D44 WeakPolarHBondContact CB-OD2 3.33Å; S41-D44 WeakPolarHBondContact O-CB 3.34Å; S41-D44 PolarHBondContact O-N 2.67Å; S41-D44 VanDerWaalsContact OG-CG 3.31Å; S41-D44 PolarHBondContact OG-N 2.94Å; S41-D44 PolarHBondContact OG-OD1 2.88Å; F42-D44 PolarHBondContact O-N 3.47Å; D44-P46 VanDerWaalsContact C-N 3.34Å; D44-R47 CarbonylContact O-C 3.57Å; D44-R47 WeakPolarHBondContact O-CA 3.49Å; D44-R47 PolarHBondContact O-N 2.88Å; D44-M48 WeakPolarHBondContact O-CG 3.36Å; D44-M48 PolarHBondContact O-N 2.93Å
45Y70.7Confident73.1Confident10 Ų1074.3 Ų74.34%0.03940%0.401CS..Hα-helixtrans-57.2-46.9177.3-54.8-66.1000110.8M36 P37 S38 S39 F42 R47 M48 W49 V96M36-Y45 HydrophobicContact CB-CD1 4.41Å; M36-Y45 HydrophobicContact CE-CD1 3.61Å; M36-Y45 HydrophobicContact CE-CG 4Å; M36-Y45 HydrophobicContact SD-CD1 4.28Å; P37-Y45 WeakPolarHBondContact O-CE1 3.49Å; S38-Y45 WeakPolarHBondContact CA-OH 3.31Å; S39-Y45 PolarHBondContact N-OH 2.85Å; S39-Y45 PolarHBondContact O-OH 2.84Å; F42-Y45 HydrophobicContact CB-CD2 4.48Å; F42-Y45 AromaticContact CD1-CD2 3.88Å; F42-Y45 HydrophobicContact CD1-CD2 3.88Å; F42-Y45 AromaticContact CD1-CE2 3.93Å; F42-Y45 HydrophobicContact CD1-CE2 3.93Å; F42-Y45 HydrophobicContact CE1-CD2 4.46Å; F42-Y45 HydrophobicContact CE1-CE2 4.3Å; F42-Y45 HydrophobicContact CG-CD2 4.31Å; F42-Y45 HydrophobicContact CG-CE2 4.13Å; F42-Y45 WeakPolarHBondContact O-CD2 2.99Å; Y45-R47 PolarHBondContact O-N 3Å; Y45-R47 VanDerWaalsContact O-N 3.14Å; Y45-M48 HydrophobicContact CD1-CE 3.71Å; Y45-M48 HydrophobicContact CE1-CE 4.21Å; Y45-M48 PolarHBondContact O-N 2.89Å; Y45-W49 VanDerWaalsContact O-CG 3.26Å; Y45-W49 PolarHBondContact O-N 2.96Å; Y45-V96 HydrophobicContact CD1-CB 4.44Å; Y45-V96 HydrophobicContact CE1-CB 3.85Å; Y45-V96 HydrophobicContact CE1-CG1 4.38Å; Y45-V96 HydrophobicContact CE1-CG2 3.7Å; Y45-V96 HydrophobicContact CE2-CG2 4.15Å; Y45-V96 VanDerWaalsContact CZ-CG2 3.42Å; Y45-V96 WeakPolarHBondContact OH-CG2 3.41Å
46P67.9Low73.1Confident63 Ų6372.7 Ų72.741%0.40939%0.392SS..Hα-helixtrans-61.1-19.3172.9-2937.2000117.1F42 L43 D44 W49 A50F42-P46 WeakPolarHBondContact O-CD 3.34Å; L43-P46 WeakPolarHBondContact O-CD 3.32Å; D44-P46 VanDerWaalsContact C-N 3.34Å; P46-W49 HydrophobicContact CB-CZ2 3.95Å; P46-W49 HydrophobicContact CG-CZ2 4.08Å; P46-W49 PolarHBondContact O-NE1 2.05Å; P46-A50 WeakPolarHBondContact O-CB 3.48Å
47R67.4Low73.4Confident180 Ų18073.8 Ų73.868%0.67940%0.398SS*.Hα-helixtrans-90.9-44.3174.6-74.2-176.2-167.3179.35.5111.4D44 Y45 W49 A50 T51D44-R47 CarbonylContact O-C 3.57Å; D44-R47 WeakPolarHBondContact O-CA 3.49Å; D44-R47 PolarHBondContact O-N 2.88Å; Y45-R47 PolarHBondContact O-N 3Å; Y45-R47 VanDerWaalsContact O-N 3.14Å; R47-W49 PolarHBondContact O-N 2.87Å; R47-A50 CarbonylContact O-C 3.53Å; R47-A50 PolarHBondContact O-N 3.28Å; R47-A50 VanDerWaalsContact O-N 3.09Å; R47-T51 PolarHBondContact O-N 2.94Å; R47-T51 PolarHBondContact O-OG1 2.82Å
48M70Confident73.5Confident77 Ų7773.7 Ų73.738%0.37939%0.386SS..Hα-helixtrans-58.4-48.5-176.4-70.6-169-35.800111M36 D44 Y45 A50 T51M36-M48 HydrophobicContact CB-CE 3.83Å; M36-M48 HydrophobicContact CG-CE 4.07Å; M36-M48 HydrophobicContact SD-CB 4.18Å; M36-M48 HydrophobicContact SD-CE 3.55Å; M36-M48 VanDerWaalsContact SD-CE 3.55Å; D44-M48 WeakPolarHBondContact O-CG 3.36Å; D44-M48 PolarHBondContact O-N 2.93Å; Y45-M48 HydrophobicContact CD1-CE 3.71Å; Y45-M48 HydrophobicContact CE1-CE 4.21Å; Y45-M48 PolarHBondContact O-N 2.89Å; M48-A50 PolarHBondContact O-N 2.91Å; M48-T51 WeakPolarHBondContact O-CB 3.49Å; M48-T51 PolarHBondContact O-N 2.78Å
49W71.4Confident73.7Confident30 Ų3079.8 Ų79.811%0.11441%0.41CS..THydrogen-bonded Turntrans-71.1-12.4179.970.2-6.6000114.6M4 M36 Y45 P46 R47 F73 A76 I84 F100M4-W49 HydrophobicContact CE-CH2 3.53Å; M4-W49 HydrophobicContact CE-CZ2 3.78Å; M4-W49 HydrophobicContact CE-CZ3 4.43Å; M36-W49 HydrophobicContact SD-CB 4.2Å; Y45-W49 VanDerWaalsContact O-CG 3.26Å; Y45-W49 PolarHBondContact O-N 2.96Å; P46-W49 HydrophobicContact CB-CZ2 3.95Å; P46-W49 HydrophobicContact CG-CZ2 4.08Å; P46-W49 PolarHBondContact O-NE1 2.05Å; R47-W49 PolarHBondContact O-N 2.87Å; W49-F73 WeakPolarHBondContact O-CA 3.24Å; W49-F73 VanDerWaalsContact O-CD2 3.28Å; W49-F73 WeakPolarHBondContact O-CD2 3.21Å; W49-A76 HydrophobicContact CB-CB 3.67Å; W49-A76 HydrophobicContact CD2-CB 3.38Å; W49-A76 HydrophobicContact CE3-CB 3.73Å; W49-A76 HydrophobicContact CG-CB 3.4Å; W49-I84 HydrophobicContact CH2-CD1 3.48Å; W49-I84 VanDerWaalsContact CH2-CD1 3.48Å; W49-I84 HydrophobicContact CZ3-CD1 3.52Å; W49-F100 HydrophobicContact CE3-CE1 4.18Å; W49-F100 HydrophobicContact CE3-CE2 4.47Å; W49-F100 AromaticContact CE3-CZ 3.5Å; W49-F100 HydrophobicContact CE3-CZ 3.5Å; W49-F100 VanDerWaalsContact CE3-CZ 3.5Å; W49-F100 HydrophobicContact CH2-CE1 4.13Å; W49-F100 HydrophobicContact CH2-CZ 4.16Å; W49-F100 AromaticContact CZ3-CE1 3.56Å; W49-F100 HydrophobicContact CZ3-CE1 3.56Å; W49-F100 HydrophobicContact CZ3-CE2 4.21Å; W49-F100 AromaticContact CZ3-CZ 3.17Å; W49-F100 HydrophobicContact CZ3-CZ 3.17Å
50A65.3Low74Confident40 Ų4081.6 Ų81.633%0.33142%0.42SS..THydrogen-bonded Turntrans-117.6-0.3-174.400000110.5P46 R47 M48 Q52P46-A50 WeakPolarHBondContact O-CB 3.48Å; R47-A50 CarbonylContact O-C 3.53Å; R47-A50 PolarHBondContact O-N 3.28Å; R47-A50 VanDerWaalsContact O-N 3.09Å; M48-A50 PolarHBondContact O-N 2.91Å; A50-Q52 PolarHBondContact O-N 2.84Å
51T67.8Low74.6Confident90 Ų9074 Ų7455%0.55238%0.379SS*.SBendtrans-61.6134170.7-61.90000106.4R47 M48 D53 F73R47-T51 PolarHBondContact O-N 2.94Å; R47-T51 PolarHBondContact O-OG1 2.82Å; M48-T51 WeakPolarHBondContact O-CB 3.49Å; M48-T51 PolarHBondContact O-N 2.78Å; T51-D53 PolarHBondContact O-N 2.92Å; T51-F73 WeakPolarHBondContact O-CD2 3.5Å
52Q62.6Low75Confident150 Ų15077.9 Ų77.970%0.70139%0.391SS*.  trans-55114.2-175.2-136.6179.8-8.700109.7A50 Y58A50-Q52 PolarHBondContact O-N 2.84Å; Q52-Y58 HydrophobicContact CG-CE2 3.77Å; Q52-Y58 WeakPolarHBondContact CG-OH 3.2Å
53D71.9Confident76Confident25 Ų2572.7 Ų72.713%0.13437%0.372CS..  trans-87.3124.6177-174.7-75.9000108.8T51 D55 F56 E69 C70 F73T51-D53 PolarHBondContact O-N 2.92Å; D53-D55 PolarHBondContact O-N 2.82Å; D53-D55 VanDerWaalsContact OD1-CA 3.24Å; D53-D55 WeakPolarHBondContact OD1-CA 3.26Å; D53-D55 WeakPolarHBondContact OD1-CB 3.35Å; D53-D55 PolarHBondContact OD1-N 2.62Å; D53-F56 HydrophobicContact CB-CB 4.25Å; D53-F56 WeakPolarHBondContact O-CB 3.06Å; D53-F56 PolarHBondContact O-N 2.97Å; D53-F56 PolarHBondContact OD1-N 2.88Å; D53-E69 VanDerWaalsContact OD2-CB 3.3Å; D53-E69 WeakPolarHBondContact OD2-CB 3.35Å; D53-C70 PolarHBondContact OD2-N 3.3Å; D53-F73 HydrophobicContact CB-CB 4.26Å; D53-F73 HydrophobicContact CB-CG 4.24Å
54S81.8Confident76.9Confident97 Ų9772.9 Ų72.968%0.67837%0.367SS*.THydrogen-bonded Turntrans-65.7-24.5-177.551.90000113.4F56 K64S54-F56 VanDerWaalsContact C-N 3.31Å; S54-K64 PolarHBondContact O-NZ 3.19Å
55D85.4Confident77.4Confident35 Ų3576 Ų7619%0.18738%0.38CS..THydrogen-bonded Turntrans-80.6-12.7173.9-62.2-40.3000111.7D53 D57 C63 K64 Q65 T67 C70D53-D55 PolarHBondContact O-N 2.82Å; D53-D55 VanDerWaalsContact OD1-CA 3.24Å; D53-D55 WeakPolarHBondContact OD1-CA 3.26Å; D53-D55 WeakPolarHBondContact OD1-CB 3.35Å; D53-D55 PolarHBondContact OD1-N 2.62Å; D55-D57 PolarHBondContact O-N 3.36Å; D55-C63 CarbonylContact O-C 3.57Å; D55-C63 WeakPolarHBondContact O-CA 3.1Å; D55-K64 VanDerWaalsContact O-CB 3.29Å; D55-K64 WeakPolarHBondContact O-CB 3.34Å; D55-K64 VanDerWaalsContact O-CG 3.28Å; D55-K64 WeakPolarHBondContact O-CG 2.87Å; D55-K64 PolarHBondContact O-N 3.04Å; D55-Q65 HydrophobicContact CB-CB 4.35Å; D55-T67 WeakPolarHBondContact OD2-CG2 3.36Å; D55-T67 PolarHBondContact OD2-OG1 2.92Å; D55-C70 HydrophobicContact CB-CB 4.15Å
56F85.4Confident78Confident5 Ų579.8 Ų79.82%0.02241%0.408CS..EExtended strand (participates in β ladder)trans-79.5120.7171.9-165.6-100.3000111.4D53 S54 Y58 M61 F73 M74 P110D53-F56 HydrophobicContact CB-CB 4.25Å; D53-F56 WeakPolarHBondContact O-CB 3.06Å; D53-F56 PolarHBondContact O-N 2.97Å; D53-F56 PolarHBondContact OD1-N 2.88Å; S54-F56 VanDerWaalsContact C-N 3.31Å; F56-Y58 AromaticContact CD1-CD1 3.88Å; F56-Y58 HydrophobicContact CD1-CD1 3.88Å; F56-Y58 HydrophobicContact CD1-CD2 4Å; F56-Y58 AromaticContact CD1-CE1 3.79Å; F56-Y58 HydrophobicContact CD1-CE1 3.79Å; F56-Y58 AromaticContact CD1-CE2 3.91Å; F56-Y58 HydrophobicContact CD1-CE2 3.91Å; F56-Y58 AromaticContact CD1-CG 3.99Å; F56-Y58 HydrophobicContact CD1-CG 3.99Å; F56-Y58 AromaticContact CD1-CZ 3.8Å; F56-Y58 AromaticContact CE1-CD1 3.8Å; F56-Y58 HydrophobicContact CE1-CD1 3.8Å; F56-Y58 AromaticContact CE1-CE1 3.94Å; F56-Y58 HydrophobicContact CE1-CE1 3.94Å; F56-Y58 HydrophobicContact CE1-CG 4.17Å; F56-M61 HydrophobicContact CE1-CE 4.44Å; F56-M61 HydrophobicContact CE1-SD 3.95Å; F56-M61 VanDerWaalsContact CZ-C 3.49Å; F56-M61 HydrophobicContact CZ-CB 4.22Å; F56-M61 HydrophobicContact CZ-CE 4.2Å; F56-M61 HydrophobicContact CZ-SD 4.1Å; F56-F73 HydrophobicContact CB-CD1 4Å; F56-F73 HydrophobicContact CB-CE1 4.05Å; F56-F73 HydrophobicContact CD1-CD1 4.22Å; F56-F73 AromaticContact CD1-CE1 3.54Å; F56-F73 HydrophobicContact CD1-CE1 3.54Å; F56-F73 HydrophobicContact CD1-CZ 4.41Å; F56-F73 AromaticContact CD2-CD1 3.82Å; F56-F73 HydrophobicContact CD2-CD1 3.82Å; F56-F73 AromaticContact CD2-CE1 3.92Å; F56-F73 HydrophobicContact CD2-CE1 3.92Å; F56-F73 AromaticContact CE1-CE1 3.89Å; F56-F73 HydrophobicContact CE1-CE1 3.89Å; F56-F73 HydrophobicContact CE2-CD1 4.38Å; F56-F73 HydrophobicContact CE2-CE1 4.27Å; F56-F73 AromaticContact CG-CD1 3.73Å; F56-F73 HydrophobicContact CG-CD1 3.73Å; F56-F73 AromaticContact CG-CE1 3.53Å; F56-F73 HydrophobicContact CG-CE1 3.53Å; F56-F73 HydrophobicContact CZ-CE1 4.24Å; F56-M74 HydrophobicContact CD2-CG 3.88Å; F56-M74 HydrophobicContact CE2-CG 3.6Å; F56-M74 HydrophobicContact CE2-SD 4.05Å; F56-P110 HydrophobicContact CE2-CG 3.9Å; F56-P110 HydrophobicContact CZ-CG 3.68Å
57D86.5Confident78.7Confident37 Ų3778.4 Ų78.420%0.19840%0.399CS..EExtended strand (participates in β ladder)trans-90.5108.2172.3177.81.5000109.8D55 E59 T60 M61 K62 K64D55-D57 PolarHBondContact O-N 3.36Å; D57-E59 VanDerWaalsContact C-N 3.27Å; D57-E59 PolarHBondContact O-N 3.38Å; D57-E59 WeakPolarHBondContact OD1-CA 3.09Å; D57-E59 VanDerWaalsContact OD1-CB 3.31Å; D57-E59 WeakPolarHBondContact OD1-CB 3.18Å; D57-E59 PolarHBondContact OD1-N 3.04Å; D57-T60 WeakPolarHBondContact CB-OG1 3.44Å; D57-T60 PolarHBondContact OD1-N 2.73Å; D57-T60 WeakPolarHBondContact OD2-CB 3Å; D57-T60 VanDerWaalsContact OD2-CG2 3.25Å; D57-T60 WeakPolarHBondContact OD2-CG2 3.36Å; D57-T60 PolarHBondContact OD2-OG1 3.06Å; D57-M61 WeakPolarHBondContact O-CA 3.3Å; D57-M61 PolarHBondContact O-N 3.34Å; D57-K62 WeakPolarHBondContact CB-O 3.42Å; D57-K62 PolarHBondContact N-O 3.25Å; D57-K62 PolarHBondContact O-N 3.5Å; D57-K64 HydrophobicContact CB-CD 4.45Å; D57-K64 HydrophobicContact CB-CG 3.85Å
58Y81.7Confident79.4Confident92 Ų9274.5 Ų74.536%0.36139%0.386SS..THydrogen-bonded Turntrans-71.1-18.7177.1-68.9-87.7000113.5Q52 F56 F73 K113Q52-Y58 HydrophobicContact CG-CE2 3.77Å; Q52-Y58 WeakPolarHBondContact CG-OH 3.2Å; F56-Y58 AromaticContact CD1-CD1 3.88Å; F56-Y58 HydrophobicContact CD1-CD1 3.88Å; F56-Y58 HydrophobicContact CD1-CD2 4Å; F56-Y58 AromaticContact CD1-CE1 3.79Å; F56-Y58 HydrophobicContact CD1-CE1 3.79Å; F56-Y58 AromaticContact CD1-CE2 3.91Å; F56-Y58 HydrophobicContact CD1-CE2 3.91Å; F56-Y58 AromaticContact CD1-CG 3.99Å; F56-Y58 HydrophobicContact CD1-CG 3.99Å; F56-Y58 AromaticContact CD1-CZ 3.8Å; F56-Y58 AromaticContact CE1-CD1 3.8Å; F56-Y58 HydrophobicContact CE1-CD1 3.8Å; F56-Y58 AromaticContact CE1-CE1 3.94Å; F56-Y58 HydrophobicContact CE1-CE1 3.94Å; F56-Y58 HydrophobicContact CE1-CG 4.17Å; Y58-F73 HydrophobicContact CE1-CZ 4.21Å; Y58-F73 VanDerWaalsContact OH-CZ 3.24Å; Y58-F73 WeakPolarHBondContact OH-CZ 3.24Å; Y58-K113 WeakPolarHBondContact O-CE 3.47Å; Y58-K113 PolarHBondContact O-NZ 3.35Å
59E83Confident80Confident165 Ų16576.4 Ų76.477%0.77140%0.395SS*.THydrogen-bonded Turntrans-74.9-44174.7-67.9-161.115400111.5D57 K113D57-E59 VanDerWaalsContact C-N 3.27Å; D57-E59 PolarHBondContact O-N 3.38Å; D57-E59 WeakPolarHBondContact OD1-CA 3.09Å; D57-E59 VanDerWaalsContact OD1-CB 3.31Å; D57-E59 WeakPolarHBondContact OD1-CB 3.18Å; D57-E59 PolarHBondContact OD1-N 3.04Å; E59-K113 VanDerWaalsContact CA-NZ 3.26Å; E59-K113 WeakPolarHBondContact O-CE 3.33Å; E59-K113 PolarHBondContact O-NZ 3.24Å
60T85.1Confident80.6Confident70 Ų7075 Ų7543%0.42939%0.389SS..THydrogen-bonded Turntrans-93.2-12177.1620000113.3D57 K62D57-T60 WeakPolarHBondContact CB-OG1 3.44Å; D57-T60 PolarHBondContact OD1-N 2.73Å; D57-T60 WeakPolarHBondContact OD2-CB 3Å; D57-T60 VanDerWaalsContact OD2-CG2 3.25Å; D57-T60 WeakPolarHBondContact OD2-CG2 3.36Å; D57-T60 PolarHBondContact OD2-OG1 3.06Å; T60-K62 VanDerWaalsContact C-N 3.26Å
61M82Confident81.6Confident22 Ų2277.2 Ų77.211%0.10839%0.391CS..THydrogen-bonded Turntrans56.439.5-173.2-67.2-74.2-65.100112.2F56 D57 L109 P110 N111 K113F56-M61 HydrophobicContact CE1-CE 4.44Å; F56-M61 HydrophobicContact CE1-SD 3.95Å; F56-M61 VanDerWaalsContact CZ-C 3.49Å; F56-M61 HydrophobicContact CZ-CB 4.22Å; F56-M61 HydrophobicContact CZ-CE 4.2Å; F56-M61 HydrophobicContact CZ-SD 4.1Å; D57-M61 WeakPolarHBondContact O-CA 3.3Å; D57-M61 PolarHBondContact O-N 3.34Å; M61-L109 HydrophobicContact CB-CB 4.42Å; M61-L109 HydrophobicContact CB-CD1 4.42Å; M61-L109 HydrophobicContact CB-CD2 3.63Å; M61-L109 HydrophobicContact CB-CG 4.35Å; M61-P110 HydrophobicContact CE-CG 4.07Å; M61-P110 WeakPolarHBondContact O-CD 3.48Å; M61-N111 HydrophobicContact CE-CB 4.2Å; M61-N111 WeakPolarHBondContact CE-O 3.47Å; M61-K113 HydrophobicContact CG-CD 4.24Å; M61-K113 HydrophobicContact CG-CG 4Å; M61-K113 HydrophobicContact SD-CG 4.36Å
62K83.8Confident82.4Confident121 Ų12174.1 Ų74.153%0.52637%0.371SS..EExtended strand (participates in β ladder)trans-133.6158.9-177.1-67.9-178.8-179.7-173.10110.7D57 T60 K64D57-K62 WeakPolarHBondContact CB-O 3.42Å; D57-K62 PolarHBondContact N-O 3.25Å; D57-K62 PolarHBondContact O-N 3.5Å; T60-K62 VanDerWaalsContact C-N 3.26Å; K62-K64 PolarHBondContact O-N 3.03Å
63C85.4Confident83.4Confident31 Ų3167.3 Ų67.321%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-74.8122.1167.2-66.40000110.9D55 Q65 C70 M74D55-C63 CarbonylContact O-C 3.57Å; D55-C63 WeakPolarHBondContact O-CA 3.1Å; C63-Q65 VanDerWaalsContact CB-O 3.31Å; C63-Q65 WeakPolarHBondContact CB-O 3.28Å; C63-Q65 PolarHBondContact O-N 3.03Å; C63-C70 WeakPolarHBondContact CA-SG 3.35Å; C63-C70 HydrophobicContact CB-CB 3.9Å; C63-C70 WeakPolarHBondContact CB-SG 3.43Å; C63-C70 WeakPolarHBondContact SG-CB 3.39Å; C63-C70 PolarHBondContact SG-O 3.1Å; C63-C70 CovalentContact SG-SG 2.03Å; C63-C70 PolarHBondContact SG-SG 3.28Å; C63-M74 VanDerWaalsContact SG-CE 3.6Å
64K87.3Confident84.1Confident135 Ų13567.3 Ų67.359%0.58734%0.339SS*.SBendtrans-59.7-39.1169.3-61171.3-167.6159.60110.7S54 D55 D57 K62S54-K64 PolarHBondContact O-NZ 3.19Å; D55-K64 VanDerWaalsContact O-CB 3.29Å; D55-K64 WeakPolarHBondContact O-CB 3.34Å; D55-K64 VanDerWaalsContact O-CG 3.28Å; D55-K64 WeakPolarHBondContact O-CG 2.87Å; D55-K64 PolarHBondContact O-N 3.04Å; D57-K64 HydrophobicContact CB-CD 4.45Å; D57-K64 HydrophobicContact CB-CG 3.85Å; K62-K64 PolarHBondContact O-N 3.03Å
65Q83.9Confident84.4Confident120 Ų12063.2 Ų63.256%0.56131%0.309SS*.SBendtrans-126.9138.2173.8-59.9-169.229.800109.4D55 C63 T67D55-Q65 HydrophobicContact CB-CB 4.35Å; C63-Q65 VanDerWaalsContact CB-O 3.31Å; C63-Q65 WeakPolarHBondContact CB-O 3.28Å; C63-Q65 PolarHBondContact O-N 3.03Å; Q65-T67 HydrophobicContact CB-CG2 3.96Å; Q65-T67 PolarHBondContact O-N 3.15Å
66S82.2Confident84.3Confident91 Ų9161.8 Ų61.864%0.63630%0.302SS*.  trans-78.248.2-177.1-149.80000112.3K71S66-K71 WeakPolarHBondContact OG-CE 3.23Å; S66-K71 PolarHBondContact OG-NZ 2.89Å; S66-K71 VanDerWaalsContact OG-NZ 3.1Å
67T83.1Confident84.1Confident34 Ų3463.6 Ų63.621%0.20931%0.311CS..  trans-71.3158.7178.257.80000110.9D55 Q65 E69 C70 K71D55-T67 WeakPolarHBondContact OD2-CG2 3.36Å; D55-T67 PolarHBondContact OD2-OG1 2.92Å; Q65-T67 HydrophobicContact CB-CG2 3.96Å; Q65-T67 PolarHBondContact O-N 3.15Å; T67-E69 VanDerWaalsContact C-N 3.31Å; T67-C70 VanDerWaalsContact OG1-CB 3.31Å; T67-C70 WeakPolarHBondContact OG1-CB 3.36Å; T67-C70 PolarHBondContact OG1-N 3.37Å; T67-K71 WeakPolarHBondContact O-CG 3.3Å; T67-K71 PolarHBondContact O-N 2.82Å; T67-K71 VanDerWaalsContact O-N 3.15Å
68K82Confident84.1Confident97 Ų9762.8 Ų62.842%0.42231%0.306SS..Hα-helixtrans-64.2-43.4177.5179.6-176.3173.2-62.70110L35 C70 K71 D72L35-K68 PolarHBondContact O-NZ 3.3Å; K68-C70 PolarHBondContact O-N 3.07Å; K68-K71 PolarHBondContact O-N 2.88Å; K68-D72 IonicContact NZ-OD2 2.62Å; K68-D72 PolarHBondContact NZ-OD2 3.47Å; K68-D72 WeakPolarHBondContact O-CB 3.41Å; K68-D72 VanDerWaalsContact O-CG 3.32Å; K68-D72 PolarHBondContact O-N 3.35Å
69E82.2Confident83.4Confident118 Ų11861.1 Ų61.155%0.55130%0.299SS*.Hα-helixtrans-58-48.2-179.2-65.672.9-163.600110.9D53 T67 K71 D72 F73D53-E69 VanDerWaalsContact OD2-CB 3.3Å; D53-E69 WeakPolarHBondContact OD2-CB 3.35Å; T67-E69 VanDerWaalsContact C-N 3.31Å; E69-K71 PolarHBondContact O-N 3.5Å; E69-D72 PolarHBondContact O-N 2.84Å; E69-F73 WeakPolarHBondContact O-CB 3.46Å; E69-F73 PolarHBondContact O-N 3.2Å
70C84.9Confident82.5Confident0 Ų058 Ų580%028%0.283CS..Hα-helixtrans-67.7-37178.1-170.40000112.5D53 D55 C63 T67 K68 F73 M74D53-C70 PolarHBondContact OD2-N 3.3Å; D55-C70 HydrophobicContact CB-CB 4.15Å; C63-C70 WeakPolarHBondContact CA-SG 3.35Å; C63-C70 HydrophobicContact CB-CB 3.9Å; C63-C70 WeakPolarHBondContact CB-SG 3.43Å; C63-C70 WeakPolarHBondContact SG-CB 3.39Å; C63-C70 PolarHBondContact SG-O 3.1Å; C63-C70 CovalentContact SG-SG 2.03Å; C63-C70 PolarHBondContact SG-SG 3.28Å; T67-C70 VanDerWaalsContact OG1-CB 3.31Å; T67-C70 WeakPolarHBondContact OG1-CB 3.36Å; T67-C70 PolarHBondContact OG1-N 3.37Å; K68-C70 PolarHBondContact O-N 3.07Å; C70-F73 WeakPolarHBondContact O-CB 3.47Å; C70-F73 PolarHBondContact O-N 3.47Å; C70-M74 WeakPolarHBondContact O-CG 3.5Å; C70-M74 PolarHBondContact O-N 3.43Å
71K85.2Confident81.8Confident87 Ų8758 Ų5838%0.37828%0.275SS..Hα-helixtrans-64.7-43.1174.4-73.8177.6-176178.20112.4S66 T67 K68 E69 F73 M74 Q75S66-K71 WeakPolarHBondContact OG-CE 3.23Å; S66-K71 PolarHBondContact OG-NZ 2.89Å; S66-K71 VanDerWaalsContact OG-NZ 3.1Å; T67-K71 WeakPolarHBondContact O-CG 3.3Å; T67-K71 PolarHBondContact O-N 2.82Å; T67-K71 VanDerWaalsContact O-N 3.15Å; K68-K71 PolarHBondContact O-N 2.88Å; E69-K71 PolarHBondContact O-N 3.5Å; K71-F73 VanDerWaalsContact C-N 3.31Å; K71-F73 PolarHBondContact O-N 3.36Å; K71-M74 HydrophobicContact CG-CE 4.37Å; K71-M74 PolarHBondContact O-N 3.22Å; K71-Q75 WeakPolarHBondContact O-CB 3.27Å; K71-Q75 PolarHBondContact O-N 3.02Å
72D84.8Confident81.8Confident24 Ų2457.7 Ų57.713%0.12828%0.277CS..Hα-helixtrans-62.9-41.1175.7-72.4-10.3000110.6V34 K68 E69 Q75 A76V34-D72 HydrophobicContact CG1-CB 4.16Å; V34-D72 HydrophobicContact CG2-CB 4.11Å; K68-D72 IonicContact NZ-OD2 2.62Å; K68-D72 PolarHBondContact NZ-OD2 3.47Å; K68-D72 WeakPolarHBondContact O-CB 3.41Å; K68-D72 VanDerWaalsContact O-CG 3.32Å; K68-D72 PolarHBondContact O-N 3.35Å; E69-D72 PolarHBondContact O-N 2.84Å; D72-Q75 PolarHBondContact O-N 3.44Å; D72-A76 WeakPolarHBondContact O-CB 3.39Å; D72-A76 PolarHBondContact O-N 3.2Å
73F84.3Confident82.2Confident7 Ų755.2 Ų55.23%0.03127%0.266CS..Hα-helixtrans-60-48173175.8-92.8000111.9W49 T51 D53 F56 Y58 E69 C70 K71 Q75 A76 M77W49-F73 WeakPolarHBondContact O-CA 3.24Å; W49-F73 VanDerWaalsContact O-CD2 3.28Å; W49-F73 WeakPolarHBondContact O-CD2 3.21Å; T51-F73 WeakPolarHBondContact O-CD2 3.5Å; D53-F73 HydrophobicContact CB-CB 4.26Å; D53-F73 HydrophobicContact CB-CG 4.24Å; F56-F73 HydrophobicContact CB-CD1 4Å; F56-F73 HydrophobicContact CB-CE1 4.05Å; F56-F73 HydrophobicContact CD1-CD1 4.22Å; F56-F73 AromaticContact CD1-CE1 3.54Å; F56-F73 HydrophobicContact CD1-CE1 3.54Å; F56-F73 HydrophobicContact CD1-CZ 4.41Å; F56-F73 AromaticContact CD2-CD1 3.82Å; F56-F73 HydrophobicContact CD2-CD1 3.82Å; F56-F73 AromaticContact CD2-CE1 3.92Å; F56-F73 HydrophobicContact CD2-CE1 3.92Å; F56-F73 AromaticContact CE1-CE1 3.89Å; F56-F73 HydrophobicContact CE1-CE1 3.89Å; F56-F73 HydrophobicContact CE2-CD1 4.38Å; F56-F73 HydrophobicContact CE2-CE1 4.27Å; F56-F73 AromaticContact CG-CD1 3.73Å; F56-F73 HydrophobicContact CG-CD1 3.73Å; F56-F73 AromaticContact CG-CE1 3.53Å; F56-F73 HydrophobicContact CG-CE1 3.53Å; F56-F73 HydrophobicContact CZ-CE1 4.24Å; Y58-F73 HydrophobicContact CE1-CZ 4.21Å; Y58-F73 VanDerWaalsContact OH-CZ 3.24Å; Y58-F73 WeakPolarHBondContact OH-CZ 3.24Å; E69-F73 WeakPolarHBondContact O-CB 3.46Å; E69-F73 PolarHBondContact O-N 3.2Å; C70-F73 WeakPolarHBondContact O-CB 3.47Å; C70-F73 PolarHBondContact O-N 3.47Å; K71-F73 VanDerWaalsContact C-N 3.31Å; K71-F73 PolarHBondContact O-N 3.36Å; F73-Q75 VanDerWaalsContact C-N 3.29Å; F73-Q75 PolarHBondContact O-N 3.4Å; F73-A76 PolarHBondContact O-N 3.24Å; F73-M77 HydrophobicContact CD1-CG 4.31Å; F73-M77 HydrophobicContact CD2-CG 4.27Å; F73-M77 HydrophobicContact CE1-CG 3.88Å; F73-M77 HydrophobicContact CE2-CG 3.83Å; F73-M77 HydrophobicContact CE2-SD 4.42Å; F73-M77 HydrophobicContact CG-CG 4.48Å; F73-M77 HydrophobicContact CZ-CG 3.6Å; F73-M77 HydrophobicContact CZ-SD 4.39Å; F73-M77 WeakPolarHBondContact O-CB 3.35Å; F73-M77 VanDerWaalsContact O-CG 3.24Å; F73-M77 WeakPolarHBondContact O-CG 3.28Å; F73-M77 PolarHBondContact O-N 3.38Å
74M86.9Confident82.5Confident26 Ų2654.6 Ų54.613%0.12826%0.261CS..Hα-helixtrans-59.2-41.9176.1-72.3-161.4-55.100112.1F56 C63 C70 K71 M77 Y78 V104 P110F56-M74 HydrophobicContact CD2-CG 3.88Å; F56-M74 HydrophobicContact CE2-CG 3.6Å; F56-M74 HydrophobicContact CE2-SD 4.05Å; C63-M74 VanDerWaalsContact SG-CE 3.6Å; C70-M74 WeakPolarHBondContact O-CG 3.5Å; C70-M74 PolarHBondContact O-N 3.43Å; K71-M74 HydrophobicContact CG-CE 4.37Å; K71-M74 PolarHBondContact O-N 3.22Å; M74-M77 CarbonylContact O-C 3.46Å; M74-M77 PolarHBondContact O-N 2.64Å; M74-Y78 PolarHBondContact O-N 3.42Å; M74-V104 HydrophobicContact CB-CG1 4.22Å; M74-P110 HydrophobicContact CB-CB 4.27Å; M74-P110 HydrophobicContact CG-CG 4.28Å; M74-P110 WeakPolarHBondContact O-CB 3.32Å
75Q87.6Confident82.7Confident11 Ų1148.1 Ų48.15%0.05123%0.233CC..Hα-helixtrans-64.4-44.6178.7-176.658.270.200111.7G32 V34 K71 D72 F73 M77 Y78 F100 H102 V104G32-Q75 VanDerWaalsContact CA-OE1 3.3Å; V34-Q75 HydrophobicContact CG2-CB 4.1Å; V34-Q75 HydrophobicContact CG2-CG 3.97Å; K71-Q75 WeakPolarHBondContact O-CB 3.27Å; K71-Q75 PolarHBondContact O-N 3.02Å; D72-Q75 PolarHBondContact O-N 3.44Å; F73-Q75 VanDerWaalsContact C-N 3.29Å; F73-Q75 PolarHBondContact O-N 3.4Å; Q75-M77 PolarHBondContact O-N 2.96Å; Q75-Y78 WeakPolarHBondContact O-CB 3.25Å; Q75-Y78 PolarHBondContact O-N 3.3Å; Q75-F100 HydrophobicContact CG-CD2 3.84Å; Q75-F100 HydrophobicContact CG-CE2 3.91Å; Q75-F100 HydrophobicContact CG-CG 4.27Å; Q75-F100 HydrophobicContact CG-CZ 4.34Å; Q75-H102 PolarHBondContact NE2-O 3.19Å; Q75-V104 HydrophobicContact CB-CG1 4.27Å
76A82.6Confident82.9Confident5 Ų543.3 Ų43.34%0.04121%0.212CC..Hα-helixtrans-65.5-29176.600000113.1W49 D72 F73W49-A76 HydrophobicContact CB-CB 3.67Å; W49-A76 HydrophobicContact CD2-CB 3.38Å; W49-A76 HydrophobicContact CE3-CB 3.73Å; W49-A76 HydrophobicContact CG-CB 3.4Å; D72-A76 WeakPolarHBondContact O-CB 3.39Å; D72-A76 PolarHBondContact O-N 3.2Å; F73-A76 PolarHBondContact O-N 3.24Å
77M81.5Confident83.3Confident43 Ų4340 Ų4021%0.21219%0.188CC..THydrogen-bonded Turntrans-90.3-0.8178.5-66.8-59.8-66.500113.6M1 F73 M74 Q75 Y79 P110M1-M77 HydrophobicContact CE-CE 4.06Å; M1-M77 HydrophobicContact CE-SD 4.02Å; M1-M77 HydrophobicContact SD-CE 3.48Å; M1-M77 WeakPolarHBondContact SD-CE 3.35Å; M1-M77 HydrophobicContact SD-SD 4.18Å; F73-M77 HydrophobicContact CD1-CG 4.31Å; F73-M77 HydrophobicContact CD2-CG 4.27Å; F73-M77 HydrophobicContact CE1-CG 3.88Å; F73-M77 HydrophobicContact CE2-CG 3.83Å; F73-M77 HydrophobicContact CE2-SD 4.42Å; F73-M77 HydrophobicContact CG-CG 4.48Å; F73-M77 HydrophobicContact CZ-CG 3.6Å; F73-M77 HydrophobicContact CZ-SD 4.39Å; F73-M77 WeakPolarHBondContact O-CB 3.35Å; F73-M77 VanDerWaalsContact O-CG 3.24Å; F73-M77 WeakPolarHBondContact O-CG 3.28Å; F73-M77 PolarHBondContact O-N 3.38Å; M74-M77 CarbonylContact O-C 3.46Å; M74-M77 PolarHBondContact O-N 2.64Å; Q75-M77 PolarHBondContact O-N 2.96Å; M77-Y79 PolarHBondContact O-N 2.91Å; M77-P110 HydrophobicContact CB-CB 4.23Å; M77-P110 CarbonylContact O-C 3.43Å
78Y86Confident83.5Confident20 Ų2043 Ų438%0.07820%0.198CC..  trans-61.7122.5-175.3-166.1-137.4000111M74 Q75 K80 H102 V104 P105 E108 P110M74-Y78 PolarHBondContact O-N 3.42Å; Q75-Y78 WeakPolarHBondContact O-CB 3.25Å; Q75-Y78 PolarHBondContact O-N 3.3Å; Y78-K80 VanDerWaalsContact C-N 3.31Å; Y78-K80 HydrophobicContact CD1-CB 4.04Å; Y78-K80 HydrophobicContact CE1-CB 3.7Å; Y78-K80 HydrophobicContact CE1-CD 4.05Å; Y78-K80 HydrophobicContact CE1-CG 4.15Å; Y78-K80 PolarHBondContact O-N 3.23Å; Y78-H102 HydrophobicContact CD1-CB 4.1Å; Y78-H102 HydrophobicContact CE1-CB 3.88Å; Y78-V104 HydrophobicContact CD1-CB 4.46Å; Y78-V104 HydrophobicContact CD2-CB 4.14Å; Y78-V104 HydrophobicContact CD2-CG2 3.66Å; Y78-V104 HydrophobicContact CE2-CG2 4.1Å; Y78-V104 HydrophobicContact CG-CB 4.04Å; Y78-V104 HydrophobicContact CG-CG2 4.07Å; Y78-P105 VanDerWaalsContact OH-CD 3.23Å; Y78-P105 WeakPolarHBondContact OH-CD 3.47Å; Y78-E108 PolarHBondContact OH-OE2 3.34Å; Y78-P110 CarbonylContact C-O 3.56Å; Y78-P110 WeakPolarHBondContact CA-O 3.24Å
79Y68.1Low83.6Confident57 Ų5738.7 Ų38.722%0.22418%0.18CC..  trans-77.4-24.1-164.975.6-80.1000112.8G2 M77 R81 P110 N111G2-Y79 PolarHBondContact N-O 3.39Å; M77-Y79 PolarHBondContact O-N 2.91Å; Y79-R81 PolarHBondContact O-N 2.68Å; Y79-P110 WeakPolarHBondContact CB-O 3Å; Y79-P110 WeakPolarHBondContact CD1-O 3.5Å; Y79-P110 PolarHBondContact N-O 3.45Å; Y79-N111 WeakPolarHBondContact CB-OD1 3.39Å
80K64.6Low83.5Confident98 Ų9839.7 Ų39.743%0.42619%0.185SC..SBendtrans-60.3117.9173.6-87.9-167.5176.8171.80105.4Y78Y78-K80 VanDerWaalsContact C-N 3.31Å; Y78-K80 HydrophobicContact CD1-CB 4.04Å; Y78-K80 HydrophobicContact CE1-CB 3.7Å; Y78-K80 HydrophobicContact CE1-CD 4.05Å; Y78-K80 HydrophobicContact CE1-CG 4.15Å; Y78-K80 PolarHBondContact O-N 3.23Å
81R69.3Low83.1Confident72 Ų7241.9 Ų41.927%0.27221%0.207SC..  trans-42.7158.5166.5-58.7169.2-170.7151.213.1109.1Y79 H102 E121 E124Y79-R81 PolarHBondContact O-N 2.68Å; R81-H102 PolarHBondContact O-CD2 2.8Å; R81-E121 VanDerWaalsContact CZ-CD 3.44Å; R81-E121 IonicContact CZ-OE1 3.77Å; R81-E121 IonicContact CZ-OE2 3.31Å; R81-E121 VanDerWaalsContact CZ-OE2 3.31Å; R81-E121 IonicContact NH1-OE1 3.7Å; R81-E121 IonicContact NH1-OE2 2.64Å; R81-E121 PolarHBondContact NH1-OE2 2.71Å; R81-E121 IonicContact NH2-OE1 3.42Å; R81-E121 PolarHBondContact NH2-OE1 3.2Å; R81-E121 IonicContact NH2-OE2 3.22Å; R81-E121 PolarHBondContact NH2-OE2 2.82Å; R81-E124 IonicContact CZ-OE1 3.06Å; R81-E124 IonicContact CZ-OE2 3.45Å; R81-E124 IonicContact NE-OE1 2.66Å; R81-E124 PolarHBondContact NE-OE1 3.23Å; R81-E124 IonicContact NE-OE2 3.71Å; R81-E124 IonicContact NH1-OE1 3.99Å; R81-E124 IonicContact NH2-OE1 3.13Å; R81-E124 PolarHBondContact NH2-OE1 2.68Å; R81-E124 VanDerWaalsContact NH2-OE1 3.13Å; R81-E124 IonicContact NH2-OE2 2.68Å; R81-E124 PolarHBondContact NH2-OE2 3.41Å
82G82.9Confident82.7Confident14 Ų1444.2 Ų44.214%0.14423%0.229CC..EExtended strand (participates in β ladder)trans167.9-167.5164.200000111.8M4 T5 E101M4-G82 VanDerWaalsContact CA-O 3.3Å; M4-G82 WeakPolarHBondContact CA-O 3.39Å; T5-G82 PolarHBondContact N-O 2.77Å; G82-E101 WeakPolarHBondContact CA-OE2 3.48Å
83K91.2Very high82.3Confident69 Ų6950.9 Ų50.930%0.326%0.257SS..EExtended strand (participates in β ladder)trans-88.8146.5-179.4-64.2163.2171-144.40110.9T5 D7 M10 F100 E101T5-K83 CarbonylContact O-C 3.33Å; T5-K83 VanDerWaalsContact O-CA 3.26Å; T5-K83 WeakPolarHBondContact O-CA 3.11Å; D7-K83 HydrophobicContact CB-CB 3.53Å; D7-K83 HydrophobicContact CB-CD 3.95Å; D7-K83 HydrophobicContact CB-CG 3.72Å; D7-K83 VanDerWaalsContact OD2-CD 3.25Å; D7-K83 WeakPolarHBondContact OD2-CD 3.4Å; D7-K83 WeakPolarHBondContact OD2-CE 3.41Å; D7-K83 IonicContact OD2-NZ 2.76Å; D7-K83 PolarHBondContact OD2-NZ 3.13Å; M10-K83 HydrophobicContact CG-CB 3.66Å; K83-F100 WeakPolarHBondContact O-CA 3.03Å; K83-E101 HydrophobicContact CB-CB 4.03Å; K83-E101 PolarHBondContact N-OE2 3.22Å; K83-E101 PolarHBondContact O-N 3.34Å
84I91.3Very high82.2Confident18 Ų1852.7 Ų52.79%0.09227%0.271CS..EExtended strand (participates in β ladder)trans-132.4142.7170.8-171.5173.9000110.2M4 T5 W6 D7 W49 C98 V99 F100M4-I84 HydrophobicContact CB-CB 4.48Å; M4-I84 HydrophobicContact CB-CG2 3.98Å; M4-I84 HydrophobicContact CE-CD1 4.35Å; M4-I84 HydrophobicContact SD-CB 4.26Å; M4-I84 HydrophobicContact SD-CD1 4.2Å; T5-I84 PolarHBondContact O-N 2.66Å; W6-I84 CarbonylContact C-O 3.58Å; W6-I84 WeakPolarHBondContact CA-O 3.09Å; D7-I84 PolarHBondContact N-O 2.79Å; W49-I84 HydrophobicContact CH2-CD1 3.48Å; W49-I84 VanDerWaalsContact CH2-CD1 3.48Å; W49-I84 HydrophobicContact CZ3-CD1 3.52Å; I84-C98 HydrophobicContact CD1-CB 4.42Å; I84-V99 WeakPolarHBondContact CA-O 3.41Å; I84-V99 WeakPolarHBondContact CG1-O 3.17Å; I84-F100 HydrophobicContact CD1-CD1 4.18Å; I84-F100 HydrophobicContact CD1-CE1 3.83Å; I84-F100 HydrophobicContact CD1-CZ 4.11Å; I84-F100 HydrophobicContact CG1-CD1 4.43Å
85G91.5Very high82.1Confident0 Ų052.2 Ų52.20%027%0.269CS..EExtended strand (participates in β ladder)trans-145.8133.9171.200000110V99G85-V99 PolarHBondContact N-O 3.39Å; G85-V99 PolarHBondContact O-N 3.46Å
86C89.7Confident82.2Confident19 Ų1951.8 Ų51.813%0.12827%0.267CS..EExtended strand (participates in β ladder)trans-122.3147.6-178.4-53.80000111.1W6 V96 I97 C98W6-C86 HydrophobicContact CH2-CB 4.21Å; W6-C86 VanDerWaalsContact CH2-N 3.26Å; W6-C86 HydrophobicContact CZ3-CB 4.16Å; C86-V96 HydrophobicContact CB-CG1 4Å; C86-I97 CarbonylContact C-O 3.54Å; C86-I97 WeakPolarHBondContact CA-O 3.47Å; C86-C98 HydrophobicContact CB-CB 4.11Å; C86-C98 WeakPolarHBondContact CB-SG 3.16Å; C86-C98 WeakPolarHBondContact SG-CB 3.39Å; C86-C98 CovalentContact SG-SG 2.05Å; C86-C98 PolarHBondContact SG-SG 2.74Å
87V89Confident82.4Confident21 Ų2151.5 Ų51.513%0.12727%0.265CS..EExtended strand (participates in β ladder)trans-131.5138.8173.769.60000109.9A14 K15 Q18 V96 I97A14-V87 HydrophobicContact CB-CB 4.15Å; A14-V87 HydrophobicContact CB-CG1 3.6Å; K15-V87 HydrophobicContact CG-CB 4.3Å; K15-V87 HydrophobicContact CG-CG2 3.85Å; Q18-V87 HydrophobicContact CB-CG1 4.49Å; Q18-V87 VanDerWaalsContact OE1-CG2 3.27Å; V87-V96 WeakPolarHBondContact O-CA 3.39Å; V87-I97 HydrophobicContact CG1-CB 4.19Å; V87-I97 PolarHBondContact N-O 3.26Å; V87-I97 PolarHBondContact O-N 3.4Å
88K87.8Confident82.8Confident96 Ų9649.5 Ų49.542%0.41726%0.256SS..EExtended strand (participates in β ladder)trans-81.9134.9169.5-168-174.5-176.6-164.70109.5Q18 E90 T95 V96Q18-K88 PolarHBondContact NE2-O 3.06Å; K88-E90 HydrophobicContact CD-CG 4.32Å; K88-E90 WeakPolarHBondContact CE-OE1 3.04Å; K88-E90 HydrophobicContact CG-CG 4.49Å; K88-E90 IonicContact NZ-OE1 2.7Å; K88-E90 PolarHBondContact NZ-OE1 2.85Å; K88-T95 CarbonylContact C-O 3.55Å; K88-T95 WeakPolarHBondContact CA-O 3.4Å; K88-V96 HydrophobicContact CB-CG2 4.26Å; K88-V96 HydrophobicContact CG-CG2 4.21Å
89C84.4Confident83.1Confident8 Ų848.6 Ų48.65%0.05425%0.252CS..EExtended strand (participates in β ladder)trans-113.7121.6169.8-160.80000111.1Q18 C21 S94 T95Q18-C89 HydrophobicContact CG-CB 3.7Å; Q18-C89 WeakPolarHBondContact CG-SG 3.48Å; Q18-C89 PolarHBondContact NE2-SG 3.14Å; C21-C89 WeakPolarHBondContact CA-SG 2.95Å; C21-C89 HydrophobicContact CB-CB 3.68Å; C21-C89 WeakPolarHBondContact CB-SG 3.4Å; C21-C89 PolarHBondContact N-SG 2.9Å; C21-C89 VanDerWaalsContact SG-C 3.54Å; C21-C89 WeakPolarHBondContact SG-CB 3.21Å; C21-C89 CovalentContact SG-SG 2.01Å; C21-C89 PolarHBondContact SG-SG 3.46Å; C89-S94 CarbonylContact O-C 3.5Å; C89-S94 WeakPolarHBondContact O-CA 3.33Å; C89-T95 PolarHBondContact N-O 3.3Å; C89-T95 PolarHBondContact O-N 2.76Å
90E80.8Confident84.2Confident139 Ų13946.2 Ų46.265%0.6524%0.243SC*.  trans-101.2112.7173.1-58.9-161.816700108.6K88K88-E90 HydrophobicContact CD-CG 4.32Å; K88-E90 WeakPolarHBondContact CE-OE1 3.04Å; K88-E90 HydrophobicContact CG-CG 4.49Å; K88-E90 IonicContact NZ-OE1 2.7Å; K88-E90 PolarHBondContact NZ-OE1 2.85Å
91G76.4Confident85.5Confident46 Ų4644.4 Ų44.447%0.47424%0.236SC..SBendtrans-140.4-146175.600000109.4C21 F93C21-G91 PolarHBondContact SG-N 2.86Å; C21-G91 VanDerWaalsContact SG-N 3.38Å; G91-F93 PolarHBondContact O-N 3.48Å
92T76Confident86.5Confident135 Ų13544.3 Ų44.383%0.82824%0.238SC*.SBendtrans-55.8-34.9172.1-51.50000111.9
93F75.7Confident86.8Confident164 Ų16447 Ų4772%0.71925%0.246SC*.SBendtrans-125.1136.6168.3-57.6-76.6000108.7G91 T95G91-F93 PolarHBondContact O-N 3.48Å; F93-T95 PolarHBondContact O-N 2.88Å
94S82.8Confident86.6Confident46 Ų4644.4 Ų44.432%0.32224%0.236SC..  trans-75.2123.6171.5-70.30000109.3S38 C89S38-S94 PolarHBondContact N-O 2.03Å; S38-S94 WeakPolarHBondContact OG-CB 3.31Å; S38-S94 PolarHBondContact OG-O 3.38Å; C89-S94 CarbonylContact O-C 3.5Å; C89-S94 WeakPolarHBondContact O-CA 3.33Å
95T85.8Confident86.2Confident16 Ų1645.7 Ų45.710%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-129.2163.2-178.156.30000110.5L35 M36 K88 C89 F93L35-T95 HydrophobicContact CD1-CG2 4.49Å; M36-T95 CarbonylContact O-C 3.58Å; M36-T95 WeakPolarHBondContact O-CA 3.33Å; M36-T95 WeakPolarHBondContact O-CB 3.31Å; K88-T95 CarbonylContact C-O 3.55Å; K88-T95 WeakPolarHBondContact CA-O 3.4Å; C89-T95 PolarHBondContact N-O 3.3Å; C89-T95 PolarHBondContact O-N 2.76Å; F93-T95 PolarHBondContact O-N 2.88Å
96V88.1Confident85.5Confident1 Ų153.3 Ų53.31%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-121.4131.2167.6171.70000108.4L35 M36 Y45 C86 V87 K88L35-V96 WeakPolarHBondContact CA-O 3.49Å; M36-V96 PolarHBondContact N-O 2.86Å; M36-V96 PolarHBondContact O-N 2.91Å; Y45-V96 HydrophobicContact CD1-CB 4.44Å; Y45-V96 HydrophobicContact CE1-CB 3.85Å; Y45-V96 HydrophobicContact CE1-CG1 4.38Å; Y45-V96 HydrophobicContact CE1-CG2 3.7Å; Y45-V96 HydrophobicContact CE2-CG2 4.15Å; Y45-V96 VanDerWaalsContact CZ-CG2 3.42Å; Y45-V96 WeakPolarHBondContact OH-CG2 3.41Å; C86-V96 HydrophobicContact CB-CG1 4Å; V87-V96 WeakPolarHBondContact O-CA 3.39Å; K88-V96 HydrophobicContact CB-CG2 4.26Å; K88-V96 HydrophobicContact CG-CG2 4.21Å
97I88.1Confident84.9Confident0 Ų059.7 Ų59.70%031%0.314CS..EExtended strand (participates in β ladder)trans-105.1120.6170.8-63.7169.9000107A14 Q18 L23 F33 V34 L35 C86 V87 V99A14-I97 HydrophobicContact CB-CG2 4.3Å; Q18-I97 HydrophobicContact CB-CD1 3.9Å; Q18-I97 HydrophobicContact CG-CD1 4.13Å; L23-I97 HydrophobicContact CD1-CG1 4.25Å; L23-I97 HydrophobicContact CD1-CG2 3.98Å; F33-I97 HydrophobicContact CD1-CG2 4.38Å; V34-I97 WeakPolarHBondContact O-CA 3.18Å; L35-I97 HydrophobicContact CD1-CD1 4.2Å; L35-I97 HydrophobicContact CD1-CG1 3.5Å; L35-I97 VanDerWaalsContact CD1-CG1 3.5Å; C86-I97 CarbonylContact C-O 3.54Å; C86-I97 WeakPolarHBondContact CA-O 3.47Å; V87-I97 HydrophobicContact CG1-CB 4.19Å; V87-I97 PolarHBondContact N-O 3.26Å; V87-I97 PolarHBondContact O-N 3.4Å; I97-V99 HydrophobicContact CG2-CG2 4.35Å
98C89.3Confident84.3Confident1 Ų162.9 Ų62.91%0.00733%0.328CS..EExtended strand (participates in β ladder)trans-107.4133.2169.7-700000109.8F33 V34 I84 C86 F100F33-C98 WeakPolarHBondContact CA-O 3.34Å; V34-C98 PolarHBondContact N-O 2.03Å; V34-C98 PolarHBondContact O-N 3.49Å; I84-C98 HydrophobicContact CD1-CB 4.42Å; C86-C98 HydrophobicContact CB-CB 4.11Å; C86-C98 WeakPolarHBondContact CB-SG 3.16Å; C86-C98 WeakPolarHBondContact SG-CB 3.39Å; C86-C98 CovalentContact SG-SG 2.05Å; C86-C98 PolarHBondContact SG-SG 2.74Å; C98-F100 HydrophobicContact CB-CE2 4.22Å
99V91.5Very high83.9Confident0 Ų061.9 Ų61.90%033%0.326CS..EExtended strand (participates in β ladder)trans-110.9132.3174.7-178.90000109M10 T13 A14 H31 G32 F33 I84 G85 I97M10-V99 HydrophobicContact SD-CG1 3.93Å; T13-V99 HydrophobicContact CG2-CG1 3.87Å; T13-V99 HydrophobicContact CG2-CG2 4.38Å; A14-V99 VanDerWaalsContact CA-CG2 3.45Å; A14-V99 HydrophobicContact CB-CB 4.32Å; A14-V99 HydrophobicContact CB-CG2 3.54Å; H31-V99 HydrophobicContact CB-CG1 3.84Å; G32-V99 CarbonylContact O-C 3.57Å; G32-V99 WeakPolarHBondContact O-CA 3.08Å; F33-V99 HydrophobicContact CD1-CG2 3.6Å; F33-V99 HydrophobicContact CE1-CB 4.44Å; F33-V99 HydrophobicContact CE1-CG1 4.27Å; F33-V99 HydrophobicContact CE1-CG2 3.37Å; F33-V99 HydrophobicContact CZ-CG1 4.32Å; F33-V99 HydrophobicContact CZ-CG2 4.21Å; I84-V99 WeakPolarHBondContact CA-O 3.41Å; I84-V99 WeakPolarHBondContact CG1-O 3.17Å; G85-V99 PolarHBondContact N-O 3.39Å; G85-V99 PolarHBondContact O-N 3.46Å; I97-V99 HydrophobicContact CG2-CG2 4.35Å
100F91.4Very high83.7Confident8 Ų861.5 Ų61.54%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-110139.3176.4-58.1-107.3000108.4M4 H31 G32 V34 W49 Q75 K83 I84 C98 H102M4-F100 HydrophobicContact CE-CE1 4.15Å; M4-F100 HydrophobicContact SD-CD1 3.59Å; M4-F100 VanDerWaalsContact SD-CD1 3.59Å; M4-F100 HydrophobicContact SD-CE1 3.58Å; M4-F100 VanDerWaalsContact SD-CE1 3.58Å; H31-F100 WeakPolarHBondContact CA-O 3.19Å; H31-F100 VanDerWaalsContact CB-O 3.31Å; H31-F100 WeakPolarHBondContact CB-O 3.25Å; G32-F100 PolarHBondContact N-O 3.46Å; G32-F100 PolarHBondContact O-N 3.19Å; V34-F100 HydrophobicContact CB-CE2 3.95Å; V34-F100 HydrophobicContact CG2-CE2 3.54Å; V34-F100 HydrophobicContact CG2-CZ 4.07Å; W49-F100 HydrophobicContact CE3-CE1 4.18Å; W49-F100 HydrophobicContact CE3-CE2 4.47Å; W49-F100 AromaticContact CE3-CZ 3.5Å; W49-F100 HydrophobicContact CE3-CZ 3.5Å; W49-F100 VanDerWaalsContact CE3-CZ 3.5Å; W49-F100 HydrophobicContact CH2-CE1 4.13Å; W49-F100 HydrophobicContact CH2-CZ 4.16Å; W49-F100 AromaticContact CZ3-CE1 3.56Å; W49-F100 HydrophobicContact CZ3-CE1 3.56Å; W49-F100 HydrophobicContact CZ3-CE2 4.21Å; W49-F100 AromaticContact CZ3-CZ 3.17Å; W49-F100 HydrophobicContact CZ3-CZ 3.17Å; Q75-F100 HydrophobicContact CG-CD2 3.84Å; Q75-F100 HydrophobicContact CG-CE2 3.91Å; Q75-F100 HydrophobicContact CG-CG 4.27Å; Q75-F100 HydrophobicContact CG-CZ 4.34Å; K83-F100 WeakPolarHBondContact O-CA 3.03Å; I84-F100 HydrophobicContact CD1-CD1 4.18Å; I84-F100 HydrophobicContact CD1-CE1 3.83Å; I84-F100 HydrophobicContact CD1-CZ 4.11Å; I84-F100 HydrophobicContact CG1-CD1 4.43Å; C98-F100 HydrophobicContact CB-CE2 4.22Å; F100-H102 PolarHBondContact O-N 2.66Å; F100-H102 VanDerWaalsContact O-N 3.08Å
101E92Very high83.5Confident59 Ų5956.2 Ų56.228%0.27630%0.3SS..SBendtrans-50.7-37.9178.2-170.6172.5-162.500112.6M10 H31 G82 K83M10-E101 HydrophobicContact SD-CB 4.32Å; H31-E101 PolarHBondContact ND1-O 2.81Å; G82-E101 WeakPolarHBondContact CA-OE2 3.48Å; K83-E101 HydrophobicContact CB-CB 4.03Å; K83-E101 PolarHBondContact N-OE2 3.22Å; K83-E101 PolarHBondContact O-N 3.34Å
102H90.3Very high83.5Confident70 Ų7061.3 Ų61.332%0.32431%0.305SS..SBendtrans-120128-178.8-56-45.6000111.8Q75 Y78 R81 F100Q75-H102 PolarHBondContact NE2-O 3.19Å; Y78-H102 HydrophobicContact CD1-CB 4.1Å; Y78-H102 HydrophobicContact CE1-CB 3.88Å; R81-H102 PolarHBondContact O-CD2 2.8Å; F100-H102 PolarHBondContact O-N 2.66Å; F100-H102 VanDerWaalsContact O-N 3.08Å
103K89.3Confident83.6Confident72 Ų7260.8 Ų60.831%0.31329%0.291SS..PPolyproline II helixtrans-69.9136.1164.5-170174.8174.4-171.20110.3A27 S29 E30 P105A27-K103 PolarHBondContact O-NZ 3.38Å; S29-K103 WeakPolarHBondContact O-CD 3.47Å; E30-K103 WeakPolarHBondContact O-CB 3.24Å; E30-K103 PolarHBondContact O-N 3.46Å; K103-P105 VanDerWaalsContact O-CD 3.28Å; K103-P105 WeakPolarHBondContact O-CD 3.06Å
104V87.2Confident83.8Confident14 Ų1456.4 Ų56.49%0.08529%0.292CS..PPolyproline II helixtrans-65.2122.3170.9660000109.4M74 Q75 Y78 P110M74-V104 HydrophobicContact CB-CG1 4.22Å; Q75-V104 HydrophobicContact CB-CG1 4.27Å; Y78-V104 HydrophobicContact CD1-CB 4.46Å; Y78-V104 HydrophobicContact CD2-CB 4.14Å; Y78-V104 HydrophobicContact CD2-CG2 3.66Å; Y78-V104 HydrophobicContact CE2-CG2 4.1Å; Y78-V104 HydrophobicContact CG-CB 4.04Å; Y78-V104 HydrophobicContact CG-CG2 4.07Å; V104-P110 HydrophobicContact CG2-CB 4.39Å
105P82.9Confident83.8Confident45 Ų4559.4 Ų59.429%0.29231%0.309SS..PPolyproline II helixtrans-69.4135.7176.4-19.433.2000110Y78 K103 N107 E108Y78-P105 VanDerWaalsContact OH-CD 3.23Å; Y78-P105 WeakPolarHBondContact OH-CD 3.47Å; K103-P105 VanDerWaalsContact O-CD 3.28Å; K103-P105 WeakPolarHBondContact O-CD 3.06Å; P105-N107 PolarHBondContact O-N 3.01Å; P105-E108 HydrophobicContact CB-CB 3.9Å; P105-E108 HydrophobicContact CB-CG 3.85Å; P105-E108 HydrophobicContact CG-CB 4.06Å; P105-E108 HydrophobicContact CG-CG 4.01Å; P105-E108 PolarHBondContact O-N 3.15Å
106E76.5Confident83.6Confident159 Ų15960.9 Ų60.974%0.74332%0.323SS*.THydrogen-bonded Turntrans-59.3-24.1-175.5-62.7-171.6162.900113.8
107N77.1Confident83.1Confident154 Ų15462 Ų6282%0.82433%0.334SS*.THydrogen-bonded Turntrans-104.80.6-177.8-62.4-36.9000113.6P105P105-N107 PolarHBondContact O-N 3.01Å
108E76.9Confident82.9Confident88 Ų8866.3 Ų66.341%0.41136%0.36SS..SBendtrans-103.6153.5177.7-72.4-172.6-163.400111.6Y78 P105Y78-E108 PolarHBondContact OH-OE2 3.34Å; P105-E108 HydrophobicContact CB-CB 3.9Å; P105-E108 HydrophobicContact CB-CG 3.85Å; P105-E108 HydrophobicContact CG-CB 4.06Å; P105-E108 HydrophobicContact CG-CG 4.01Å; P105-E108 PolarHBondContact O-N 3.15Å
109L79Confident82.7Confident74 Ų7473.6 Ų73.639%0.38739%0.392SS..  trans-71.7135.4174.1-56.8-173.8000109.5M61 N111M61-L109 HydrophobicContact CB-CB 4.42Å; M61-L109 HydrophobicContact CB-CD1 4.42Å; M61-L109 HydrophobicContact CB-CD2 3.63Å; M61-L109 HydrophobicContact CB-CG 4.35Å; L109-N111 PolarHBondContact O-N 2.04Å
110P80.4Confident82.4Confident0 Ų075.3 Ų75.30%040%0.404CS..SBendtrans-62.4-31.1176.224.6-32000110F56 M61 M74 M77 Y78 Y79 V104F56-P110 HydrophobicContact CE2-CG 3.9Å; F56-P110 HydrophobicContact CZ-CG 3.68Å; M61-P110 HydrophobicContact CE-CG 4.07Å; M61-P110 WeakPolarHBondContact O-CD 3.48Å; M74-P110 HydrophobicContact CB-CB 4.27Å; M74-P110 HydrophobicContact CG-CG 4.28Å; M74-P110 WeakPolarHBondContact O-CB 3.32Å; M77-P110 HydrophobicContact CB-CB 4.23Å; M77-P110 CarbonylContact O-C 3.43Å; Y78-P110 CarbonylContact C-O 3.56Å; Y78-P110 WeakPolarHBondContact CA-O 3.24Å; Y79-P110 WeakPolarHBondContact CB-O 3Å; Y79-P110 WeakPolarHBondContact CD1-O 3.5Å; Y79-P110 PolarHBondContact N-O 3.45Å; V104-P110 HydrophobicContact CG2-CB 4.39Å
111N77.6Confident82Confident29 Ų2980.7 Ų80.716%0.15543%0.429CS..SBendtrans-148.8160.8172.8-17324.3000112.9M1 M61 Y79 L109M1-N111 WeakPolarHBondContact CG-ND2 3.44Å; M61-N111 HydrophobicContact CE-CB 4.2Å; M61-N111 WeakPolarHBondContact CE-O 3.47Å; Y79-N111 WeakPolarHBondContact CB-OD1 3.39Å; L109-N111 PolarHBondContact O-N 2.04Å
112R76.2Confident81.6Confident152 Ų15287.7 Ų87.757%0.57446%0.462SS*.  trans-75.8129.8175.6-64.8-175.2-177.1-176.90.9109.3
113K77.1Confident81.3Confident124 Ų12486.8 Ų86.854%0.53947%0.471SS..  trans-66.8140.8168.5-70.2-170.3172.4-156.90110.6Y58 E59 M61Y58-K113 WeakPolarHBondContact O-CE 3.47Å; Y58-K113 PolarHBondContact O-NZ 3.35Å; E59-K113 VanDerWaalsContact CA-NZ 3.26Å; E59-K113 WeakPolarHBondContact O-CE 3.33Å; E59-K113 PolarHBondContact O-NZ 3.24Å; M61-K113 HydrophobicContact CG-CD 4.24Å; M61-K113 HydrophobicContact CG-CG 4Å; M61-K113 HydrophobicContact SD-CG 4.36Å
114G81Confident81.1Confident72 Ų7284.4 Ų84.474%0.74246%0.461SS*.SBendtrans144.2-173173.200000112.9A116G114-A116 PolarHBondContact O-N 2.9Å
115T82.1Confident81.1Confident109 Ų10989.5 Ų89.567%0.66948%0.484SS*.SBendtrans-68.8128177-51.60000110.3T118T115-T118 HydrophobicContact CG2-CG2 3.9Å; T115-T118 WeakPolarHBondContact O-CG2 3.43Å; T115-T118 PolarHBondContact O-N 2.78Å; T115-T118 PolarHBondContact O-OG1 2.69Å
116A81.5Confident81.2Confident48 Ų4892.1 Ų92.140%0.39750%0.495SS..THydrogen-bonded Turntrans-54.4142.2178.500000111.9G114 T118 Q129G114-A116 PolarHBondContact O-N 2.9Å; A116-T118 PolarHBondContact O-N 3.09Å; A116-Q129 HydrophobicContact CB-CB 3.79Å; A116-Q129 HydrophobicContact CB-CG 4.21Å
117G78.6Confident81.6Confident23 Ų2387.1 Ų87.124%0.23748%0.478CS..THydrogen-bonded Turntrans75.7-5.2177.100000116.8K119 C120 L126G117-K119 VanDerWaalsContact C-N 3.25Å; G117-K119 PolarHBondContact O-N 3.42Å; G117-C120 PolarHBondContact O-SG 2.82Å; G117-C120 VanDerWaalsContact O-SG 3.35Å; G117-L126 VanDerWaalsContact CA-CD1 3.4Å
118T83.8Confident81.8Confident91 Ų9190.1 Ų90.156%0.55848%0.479SS*.THydrogen-bonded Turntrans-77.4-8-17857.50000114.9T115 A116T115-T118 HydrophobicContact CG2-CG2 3.9Å; T115-T118 WeakPolarHBondContact O-CG2 3.43Å; T115-T118 PolarHBondContact O-N 2.78Å; T115-T118 PolarHBondContact O-OG1 2.69Å; A116-T118 PolarHBondContact O-N 3.09Å
119K84.9Confident82Confident154 Ų15493 Ų9367%0.6749%0.493SS*.THydrogen-bonded Turntrans-130.729.4-175.9-63.7-66.2-176-176.50112.1G117G117-K119 VanDerWaalsContact C-N 3.25Å; G117-K119 PolarHBondContact O-N 3.42Å
120C83.9Confident82.2Confident37 Ų3793.5 Ų93.525%0.2549%0.492CS..PPolyproline II helixtrans-63.4139.7168.8-54.70000109.1G117 E124 C131G117-C120 PolarHBondContact O-SG 2.82Å; G117-C120 VanDerWaalsContact O-SG 3.35Å; C120-E124 WeakPolarHBondContact CA-OE2 3.45Å; C120-E124 HydrophobicContact CB-CB 3.99Å; C120-C131 WeakPolarHBondContact CA-SG 3.4Å; C120-C131 HydrophobicContact CB-CB 3.59Å; C120-C131 WeakPolarHBondContact CB-SG 3.4Å; C120-C131 PolarHBondContact N-SG 3.22Å; C120-C131 WeakPolarHBondContact SG-CB 3.47Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.38Å
121E83Confident82.4Confident121 Ų12193.9 Ų93.957%0.56549%0.494SS*.PPolyproline II helixtrans-78.2169.7174.8-67171.8-163.500110.6R81 G123 E124R81-E121 VanDerWaalsContact CZ-CD 3.44Å; R81-E121 IonicContact CZ-OE1 3.77Å; R81-E121 IonicContact CZ-OE2 3.31Å; R81-E121 VanDerWaalsContact CZ-OE2 3.31Å; R81-E121 IonicContact NH1-OE1 3.7Å; R81-E121 IonicContact NH1-OE2 2.64Å; R81-E121 PolarHBondContact NH1-OE2 2.71Å; R81-E121 IonicContact NH2-OE1 3.42Å; R81-E121 PolarHBondContact NH2-OE1 3.2Å; R81-E121 IonicContact NH2-OE2 3.22Å; R81-E121 PolarHBondContact NH2-OE2 2.82Å; E121-G123 PolarHBondContact O-N 2.85Å; E121-E124 PolarHBondContact N-OE2 3.46Å; E121-E124 WeakPolarHBondContact O-CB 3.46Å; E121-E124 PolarHBondContact O-N 3.17Å; E121-E124 VanDerWaalsContact O-N 3.15Å
122Q83.9Confident82.8Confident206 Ų20693.3 Ų93.396%0.96349%0.492SS*.THydrogen-bonded Turntrans-60.1128.3177.5-163.7171.26.400110.4
123G83.7Confident83.1Confident51 Ų5190.3 Ų90.353%0.52649%0.488SS..THydrogen-bonded Turntrans95-3.4-176.600000114.9E121 I134E121-G123 PolarHBondContact O-N 2.85Å; G123-I134 WeakPolarHBondContact O-CD1 3.08Å; G123-I134 WeakPolarHBondContact O-CG1 3.29Å; G123-I134 PolarHBondContact O-N 3.49Å
124E85.9Confident82.7Confident22 Ų2289 Ų8910%0.10349%0.485CS..EExtended strand (participates in β ladder)trans-96.8152.4173.9-66.7-174.6127.400112.9R81 C120 E121 C131 C132R81-E124 IonicContact CZ-OE1 3.06Å; R81-E124 IonicContact CZ-OE2 3.45Å; R81-E124 IonicContact NE-OE1 2.66Å; R81-E124 PolarHBondContact NE-OE1 3.23Å; R81-E124 IonicContact NE-OE2 3.71Å; R81-E124 IonicContact NH1-OE1 3.99Å; R81-E124 IonicContact NH2-OE1 3.13Å; R81-E124 PolarHBondContact NH2-OE1 2.68Å; R81-E124 VanDerWaalsContact NH2-OE1 3.13Å; R81-E124 IonicContact NH2-OE2 2.68Å; R81-E124 PolarHBondContact NH2-OE2 3.41Å; C120-E124 WeakPolarHBondContact CA-OE2 3.45Å; C120-E124 HydrophobicContact CB-CB 3.99Å; E121-E124 PolarHBondContact N-OE2 3.46Å; E121-E124 WeakPolarHBondContact O-CB 3.46Å; E121-E124 PolarHBondContact O-N 3.17Å; E121-E124 VanDerWaalsContact O-N 3.15Å; E124-C131 HydrophobicContact CB-CB 4.38Å; E124-C131 VanDerWaalsContact OE2-CB 3.24Å; E124-C131 WeakPolarHBondContact OE2-CB 3.41Å; E124-C132 CarbonylContact C-O 3.52Å; E124-C132 VanDerWaalsContact CA-O 3.25Å; E124-C132 WeakPolarHBondContact CA-O 3.45Å
125Q86.6Confident81.9Confident121 Ų12196.9 Ų96.957%0.56550%0.5SS*.EExtended strand (participates in β ladder)trans-114.8149165.5-85.2176.312.500111.4S127 C132 I134Q125-S127 PolarHBondContact O-N 2.71Å; Q125-C132 PolarHBondContact N-O 2.6Å; Q125-C132 PolarHBondContact O-N 3.3Å; Q125-I134 HydrophobicContact CB-CD1 4.43Å; Q125-I134 HydrophobicContact CB-CG1 3.99Å; Q125-I134 HydrophobicContact CG-CD1 3.61Å; Q125-I134 HydrophobicContact CG-CG1 3.68Å
126L86.3Confident81.9Confident99 Ų9996.3 Ų96.352%0.51849%0.491SS..EExtended strand (participates in β ladder)trans-76.2117.2171.6-175.661.4000109.6G117 K130G117-L126 VanDerWaalsContact CA-CD1 3.4Å; L126-K130 CarbonylContact C-O 3.41Å; L126-K130 WeakPolarHBondContact CA-O 3.28Å; L126-K130 WeakPolarHBondContact CD1-O 3.12Å
127S83.6Confident81.9Confident54 Ų5498.8 Ų98.838%0.37850%0.496SS..EExtended strand (participates in β ladder)trans-129.7122.4173.2-177.10000109.3Q125 Q129 K130Q125-S127 PolarHBondContact O-N 2.71Å; S127-Q129 VanDerWaalsContact C-N 3.3Å; S127-Q129 PolarHBondContact O-N 2.94Å; S127-K130 PolarHBondContact N-O 3.43Å; S127-K130 WeakPolarHBondContact O-CA 3.24Å; S127-K130 WeakPolarHBondContact O-CB 3.46Å; S127-K130 PolarHBondContact O-N 2.99Å; S127-K130 VanDerWaalsContact O-O 3.13Å
128Y82Confident82.1Confident217 Ų217103.1 Ų103.185%0.85151%0.511SS*.THydrogen-bonded Turntrans45.250.3-178.3-59.6-81.8000113.8K130Y128-K130 PolarHBondContact O-N 3.3Å; Y128-K130 VanDerWaalsContact O-N 3.17Å
129Q81.8Confident82Confident149 Ų149103.8 Ų103.870%0.69651%0.508SS*.THydrogen-bonded Turntrans65.58.6-178.3-57-177.9-9.900115.7A116 S127A116-Q129 HydrophobicContact CB-CB 3.79Å; A116-Q129 HydrophobicContact CB-CG 4.21Å; S127-Q129 VanDerWaalsContact C-N 3.3Å; S127-Q129 PolarHBondContact O-N 2.94Å
130K82.1Confident81.8Confident85 Ų85100.6 Ų100.637%0.3750%0.498SS..EExtended strand (participates in β ladder)trans-111.1144.6175.1-58.9-173.6-179.2-172.20110.9M1 L126 S127 Y128M1-K130 WeakPolarHBondContact O-CA 3.37Å; L126-K130 CarbonylContact C-O 3.41Å; L126-K130 WeakPolarHBondContact CA-O 3.28Å; L126-K130 WeakPolarHBondContact CD1-O 3.12Å; S127-K130 PolarHBondContact N-O 3.43Å; S127-K130 WeakPolarHBondContact O-CA 3.24Å; S127-K130 WeakPolarHBondContact O-CB 3.46Å; S127-K130 PolarHBondContact O-N 2.99Å; S127-K130 VanDerWaalsContact O-O 3.13Å; Y128-K130 PolarHBondContact O-N 3.3Å; Y128-K130 VanDerWaalsContact O-N 3.17Å
131C84.7Confident81.7Confident8 Ų8104.9 Ų104.95%0.05451%0.514CS..EExtended strand (participates in β ladder)trans-86.2121.4171.4-58.40000108.5M1 G2 C3 C120 E124M1-C131 PolarHBondContact O-N 3.32Å; G2-C131 CarbonylContact C-O 3.59Å; G2-C131 VanDerWaalsContact CA-O 3.27Å; G2-C131 WeakPolarHBondContact CA-O 3.25Å; C3-C131 PolarHBondContact N-O 2.71Å; C120-C131 WeakPolarHBondContact CA-SG 3.4Å; C120-C131 HydrophobicContact CB-CB 3.59Å; C120-C131 WeakPolarHBondContact CB-SG 3.4Å; C120-C131 PolarHBondContact N-SG 3.22Å; C120-C131 WeakPolarHBondContact SG-CB 3.47Å; C120-C131 CovalentContact SG-SG 2.04Å; C120-C131 PolarHBondContact SG-SG 3.38Å; E124-C131 HydrophobicContact CB-CB 4.38Å; E124-C131 VanDerWaalsContact OE2-CB 3.24Å; E124-C131 WeakPolarHBondContact OE2-CB 3.41Å
132C86.1Confident81.6Confident16 Ų16103.7 Ų103.711%0.10851%0.511CS..EExtended strand (participates in β ladder)trans-131.6139.2-171-52.30000109.6C3 E124 Q125 I134C3-C132 HydrophobicContact CB-CB 3.61Å; C3-C132 WeakPolarHBondContact CB-SG 3.03Å; C3-C132 WeakPolarHBondContact SG-CB 3.31Å; C3-C132 CovalentContact SG-SG 2.03Å; C3-C132 PolarHBondContact SG-SG 2.76Å; E124-C132 CarbonylContact C-O 3.52Å; E124-C132 VanDerWaalsContact CA-O 3.25Å; E124-C132 WeakPolarHBondContact CA-O 3.45Å; Q125-C132 PolarHBondContact N-O 2.6Å; Q125-C132 PolarHBondContact O-N 3.3Å; C132-I134 PolarHBondContact O-N 2.77Å
133N82.1Confident81.4Confident90 Ų9095.8 Ų95.848%0.48148%0.476SS..EExtended strand (participates in β ladder)trans-60.2137.9174.3-69.2-21.9000109.8F135N133-F135 PolarHBondContact O-N 3.48Å
134I69.7Low81.2Confident95 Ų9599.6 Ų99.649%0.48747%0.472SS..  trans-81.9114.6169.6-46.2162.7000105.5G123 Q125 C132G123-I134 WeakPolarHBondContact O-CD1 3.08Å; G123-I134 WeakPolarHBondContact O-CG1 3.29Å; G123-I134 PolarHBondContact O-N 3.49Å; Q125-I134 HydrophobicContact CB-CD1 4.43Å; Q125-I134 HydrophobicContact CB-CG1 3.99Å; Q125-I134 HydrophobicContact CG-CD1 3.61Å; Q125-I134 HydrophobicContact CG-CG1 3.68Å; C132-I134 PolarHBondContact O-N 2.77Å
135F63.4Low80.8Confident239 Ų239106.6 Ų106.6100%1.04851%0.505SS*.  trans-72.20174-62.2-81.7000111.2T5 N133T5-F135 HydrophobicContact CG2-CZ 4.32Å; N133-F135 PolarHBondContact O-N 3.48Å

Retrieved 135 of 135 residues in 424.9 ms (Link to these results)

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