G4V9B1_SCHMA Loading...

Putative elongin B

AlphaFold DB , UniProt , Accession G4V9B1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 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
1M93.6Very high96.3Very high26 Ų2659.2 Ų59.213%0.12828%0.277CS..  0167.7074.4-169.692.500109.4L12 A14 V23 L53 A69 L71M1-L12 HydrophobicContact CG-CB 4.2Å; M1-L12 PolarHBondContact N-O 3.2Å; M1-L12 PolarHBondContact O-N 3.2Å; M1-A14 HydrophobicContact CE-CB 3.59Å; M1-V23 HydrophobicContact CE-CG2 4.04Å; M1-V23 HydrophobicContact SD-CG1 4.19Å; M1-V23 HydrophobicContact SD-CG2 4.44Å; M1-L53 HydrophobicContact CE-CD1 3.46Å; M1-L53 VanDerWaalsContact CE-CD1 3.46Å; M1-L53 HydrophobicContact CE-CD2 4.3Å; M1-A69 CarbonylContact C-O 2.97Å; M1-A69 VanDerWaalsContact CA-O 3.28Å; M1-A69 WeakPolarHBondContact CA-O 3.09Å; M1-A69 WeakPolarHBondContact CB-O 3.49Å; M1-L71 HydrophobicContact SD-CD1 3.54Å; M1-L71 VanDerWaalsContact SD-CD1 3.54Å; M1-L71 HydrophobicContact SD-CG 4.47Å
2V96Very high96.2Very high4 Ų455.8 Ų55.82%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-125.8130.8174.8174.70000108.5R4 T9 I10 H11 P68 A69 T70 L71V2-R4 HydrophobicContact CG1-CG 3.68Å; V2-T9 HydrophobicContact CG1-CG2 3.28Å; V2-I10 CarbonylContact C-O 3.55Å; V2-I10 WeakPolarHBondContact CA-O 3.39Å; V2-H11 VanDerWaalsContact CG2-CE1 3.48Å; V2-H11 WeakPolarHBondContact CG2-CE1 3.08Å; V2-H11 WeakPolarHBondContact CG2-ND1 2.85Å; V2-P68 HydrophobicContact CG2-CB 3.77Å; V2-P68 HydrophobicContact CG2-CG 3.52Å; V2-A69 PolarHBondContact N-O 3.04Å; V2-T70 CarbonylContact O-C 3.59Å; V2-T70 WeakPolarHBondContact O-CA 3.41Å; V2-L71 PolarHBondContact O-N 3.3Å
3V97.2Very high96Very high2 Ų260.2 Ų60.21%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-103.9125.8174.5-178.70000108.5T9 I10 L12 I27 L40 L71 L73V3-T9 WeakPolarHBondContact O-CA 3.47Å; V3-I10 HydrophobicContact CB-CB 4.39Å; V3-I10 PolarHBondContact N-O 3.4Å; V3-I10 PolarHBondContact O-N 2.9Å; V3-L12 HydrophobicContact CG2-CD1 3.87Å; V3-I27 HydrophobicContact CG1-CD1 3.98Å; V3-I27 HydrophobicContact CG2-CD1 4.16Å; V3-L40 HydrophobicContact CG1-CD2 4.06Å; V3-L71 CarbonylContact C-O 3.55Å; V3-L71 WeakPolarHBondContact CA-O 3.46Å; V3-L71 HydrophobicContact CG2-CB 4.39Å; V3-L73 HydrophobicContact CG1-CB 3.53Å; V3-L73 HydrophobicContact CG1-CD2 4.06Å; V3-L73 HydrophobicContact CG1-CG 4.33Å
4R97.4Very high96Very high29 Ų2958.3 Ų58.311%0.10930%0.301CS..EExtended strand (participates in β ladder)trans-123.6136.8-174-56.6-171.173.3-146.2-8.9111.8V2 T8 T9 T70 L71 L73 I88 T89 Y91V2-R4 HydrophobicContact CG1-CG 3.68Å; R4-T8 WeakPolarHBondContact CA-O 3.46Å; R4-T9 HydrophobicContact CG-CG2 4.36Å; R4-T70 HydrophobicContact CG-CG2 3.98Å; R4-L71 PolarHBondContact N-O 3.24Å; R4-L73 PolarHBondContact O-N 2.91Å; R4-I88 HydrophobicContact CB-CD1 4.12Å; R4-I88 HydrophobicContact CB-CG1 4.21Å; R4-I88 HydrophobicContact CB-CG2 4Å; R4-T89 PolarHBondContact NH2-O 2.93Å; R4-Y91 PolarHBondContact NE-OH 3.03Å; R4-Y91 VanDerWaalsContact NH2-CE1 3.25Å
5R96.7Very high95.9Very high60 Ų6064.9 Ų64.923%0.22633%0.326CS..EExtended strand (participates in β ladder)trans-150.2125174.4177-168.4176.4-123.73.2109K7 T8 L73 E84R5-K7 PolarHBondContact O-N 3.21Å; R5-K7 VanDerWaalsContact O-N 3.14Å; R5-T8 PolarHBondContact N-O 2.92Å; R5-T8 WeakPolarHBondContact O-CA 3.49Å; R5-T8 VanDerWaalsContact O-CB 3.31Å; R5-T8 WeakPolarHBondContact O-CB 3.35Å; R5-T8 PolarHBondContact O-N 3.16Å; R5-L73 HydrophobicContact CB-CB 4.17Å; R5-L73 HydrophobicContact CB-CD2 4.41Å; R5-L73 HydrophobicContact CB-CG 4.46Å; R5-L73 WeakPolarHBondContact CB-O 3.49Å; R5-L73 WeakPolarHBondContact CG-O 3.46Å; R5-E84 VanDerWaalsContact CD-OE1 3.28Å; R5-E84 WeakPolarHBondContact CD-OE1 3.44Å; R5-E84 IonicContact CZ-OE1 3.64Å; R5-E84 IonicContact CZ-OE2 2.74Å; R5-E84 VanDerWaalsContact NE-CD 3.32Å; R5-E84 IonicContact NE-OE1 3.21Å; R5-E84 PolarHBondContact NE-OE1 3.02Å; R5-E84 IonicContact NE-OE2 3.57Å; R5-E84 PolarHBondContact NE-OE2 3.13Å; R5-E84 VanDerWaalsContact NE-OE2 3.16Å; R5-E84 IonicContact NH2-OE1 2.65Å; R5-E84 IonicContact NH2-OE2 3.16Å; R5-E84 PolarHBondContact NH2-OE2 3.27Å
6K95.5Very high95.9Very high88 Ų8866.4 Ų66.438%0.38333%0.332SS..BIsolated β-bridgetrans50.2-119-177.8-60.1175.9-179.51750109.7E84 D87 T89K6-E84 WeakPolarHBondContact CE-OE2 3.47Å; K6-E84 IonicContact NZ-OE2 3.04Å; K6-E84 PolarHBondContact NZ-OE2 3.39Å; K6-D87 HydrophobicContact CG-CB 4.46Å; K6-D87 PolarHBondContact N-O 2.73Å; K6-T89 WeakPolarHBondContact O-CB 3.41Å; K6-T89 PolarHBondContact O-N 2.83Å; K6-T89 PolarHBondContact O-OG1 3.36Å
7K96.7Very high95.9Very high181 Ų18168.4 Ų68.479%0.78735%0.349SS*.THydrogen-bonded Turntrans-94.22.1175.2-63.3-177.4179.1-179.50114R5 T89R5-K7 PolarHBondContact O-N 3.21Å; R5-K7 VanDerWaalsContact O-N 3.14Å; K7-T89 HydrophobicContact CG-CG2 4.1Å
8T96.4Very high96Very high63 Ų6365.6 Ų65.639%0.38734%0.336SS..EExtended strand (participates in β ladder)trans-91134.7-179.2-55.10000110.8R4 R5 I10R4-T8 WeakPolarHBondContact CA-O 3.46Å; R5-T8 PolarHBondContact N-O 2.92Å; R5-T8 WeakPolarHBondContact O-CA 3.49Å; R5-T8 VanDerWaalsContact O-CB 3.31Å; R5-T8 WeakPolarHBondContact O-CB 3.35Å; R5-T8 PolarHBondContact O-N 3.16Å; T8-I10 HydrophobicContact CG2-CD1 4.46Å; T8-I10 HydrophobicContact CG2-CG1 4.07Å
9T97.1Very high96.1Very high42 Ų4265.6 Ų65.626%0.25834%0.337SS..EExtended strand (participates in β ladder)trans-135119178-64.20000108V2 V3 R4 Y91V2-T9 HydrophobicContact CG1-CG2 3.28Å; V3-T9 WeakPolarHBondContact O-CA 3.47Å; R4-T9 HydrophobicContact CG-CG2 4.36Å; T9-Y91 WeakPolarHBondContact CG2-OH 3.33Å; T9-Y91 PolarHBondContact OG1-OH 3.38Å
10I96.9Very high96.2Very high17 Ų1762.4 Ų62.49%0.08732%0.32CS..EExtended strand (participates in β ladder)trans-114121.7-178.5-53.3174.9000108.4V2 V3 T8 L12 I30 L31V2-I10 CarbonylContact C-O 3.55Å; V2-I10 WeakPolarHBondContact CA-O 3.39Å; V3-I10 HydrophobicContact CB-CB 4.39Å; V3-I10 PolarHBondContact N-O 3.4Å; V3-I10 PolarHBondContact O-N 2.9Å; T8-I10 HydrophobicContact CG2-CD1 4.46Å; T8-I10 HydrophobicContact CG2-CG1 4.07Å; I10-L12 HydrophobicContact CG2-CD1 4.37Å; I10-L12 HydrophobicContact CG2-CD2 3.73Å; I10-L12 HydrophobicContact CG2-CG 3.81Å; I10-I30 HydrophobicContact CD1-CG2 4.13Å; I10-I30 HydrophobicContact CG2-CD1 3.52Å; I10-L31 HydrophobicContact CD1-CD1 4.01Å; I10-L31 HydrophobicContact CD1-CD2 4.14Å; I10-L31 HydrophobicContact CD1-CG 3.97Å
11H95.9Very high96.3Very high139 Ų13962 Ų6264%0.64432%0.319SS*.EExtended strand (participates in β ladder)trans-87.7118.5173.7-70.4-106.2000109.2V2V2-H11 VanDerWaalsContact CG2-CE1 3.48Å; V2-H11 WeakPolarHBondContact CG2-CE1 3.08Å; V2-H11 WeakPolarHBondContact CG2-ND1 2.85Å
12L95.4Very high96.5Very high19 Ų1965 Ų6510%0.09933%0.332CS..  trans-123.8144.4179.7-63.1178.7000110.6M1 V3 I10 V23 M26 I27 I30M1-L12 HydrophobicContact CG-CB 4.2Å; M1-L12 PolarHBondContact N-O 3.2Å; M1-L12 PolarHBondContact O-N 3.2Å; V3-L12 HydrophobicContact CG2-CD1 3.87Å; I10-L12 HydrophobicContact CG2-CD1 4.37Å; I10-L12 HydrophobicContact CG2-CD2 3.73Å; I10-L12 HydrophobicContact CG2-CG 3.81Å; L12-V23 HydrophobicContact CD1-CG1 4.09Å; L12-M26 HydrophobicContact CD1-CB 4.31Å; L12-M26 HydrophobicContact CD2-CB 4.37Å; L12-I27 HydrophobicContact CD1-CD1 4.5Å; L12-I27 HydrophobicContact CD1-CG1 3.81Å; L12-I30 HydrophobicContact CD2-CD1 3.78Å
13S93.7Very high96.5Very high112 Ų11264.8 Ų64.878%0.78333%0.331SS*.  trans-116.8133.4170.8-168.60000109
14A94.9Very high96.6Very high34 Ų3465.3 Ų65.328%0.28133%0.333SS..  trans-148.2157.3179.500000108.5M1 V23 M26 L53M1-A14 HydrophobicContact CE-CB 3.59Å; A14-V23 HydrophobicContact CB-CG2 4.44Å; A14-M26 HydrophobicContact CB-CE 3.84Å; A14-L53 HydrophobicContact CB-CD1 3.55Å
15K95.5Very high96.6Very high158 Ų15869.4 Ų69.469%0.68735%0.352SS*.  trans-73.5149.3172.9-64.5-179.7-179.41780108.9T17 S18K15-T17 PolarHBondContact O-N 3.03Å; K15-T17 VanDerWaalsContact O-N 3.15Å; K15-S18 WeakPolarHBondContact O-CB 3.23Å; K15-S18 PolarHBondContact O-N 3.23Å
16E95.1Very high96.7Very high88 Ų8869.7 Ų69.741%0.41136%0.356SS..THydrogen-bonded Turntrans-63.4-20.9176.265.6-171.3-163.600113.1S18 L53 S54 N59E16-S18 VanDerWaalsContact C-N 3.35Å; E16-L53 PolarHBondContact O-N 2.86Å; E16-S54 WeakPolarHBondContact O-CB 3.39Å; E16-S54 PolarHBondContact O-N 2.78Å; E16-S54 PolarHBondContact O-OG 3.01Å; E16-N59 HydrophobicContact CB-CB 4.47Å; E16-N59 VanDerWaalsContact OE2-CB 3.23Å; E16-N59 WeakPolarHBondContact OE2-CB 3.37Å
17T96.5Very high96.8Very high101 Ų10165.5 Ų65.562%0.6234%0.338SS*.THydrogen-bonded Turntrans-80.6-12.6172.759.70000113.6K15K15-T17 PolarHBondContact O-N 3.03Å; K15-T17 VanDerWaalsContact O-N 3.15Å
18S97.3Very high96.8Very high17 Ų1760.2 Ų60.212%0.11932%0.316CS..SBendtrans-64144.8178.1-78.50000110.6K15 E16 E22 S52 L53K15-S18 WeakPolarHBondContact O-CB 3.23Å; K15-S18 PolarHBondContact O-N 3.23Å; E16-S18 VanDerWaalsContact C-N 3.35Å; S18-E22 WeakPolarHBondContact CA-OE2 3.29Å; S18-E22 WeakPolarHBondContact CB-OE2 3.4Å; S18-E22 PolarHBondContact OG-OE2 2.89Å; S18-S52 CarbonylContact O-C 3.58Å; S18-S52 VanDerWaalsContact O-CA 3.31Å; S18-S52 WeakPolarHBondContact O-CA 2.94Å; S18-L53 WeakPolarHBondContact O-CG 3.12Å; S18-L53 PolarHBondContact O-N 2.82Å
19L97.9Very high96.9Very high67 Ų6759.3 Ų59.335%0.35132%0.319SS..BIsolated β-bridgetrans-78.6155176.3-59.9-178000110.7L21 E22 V23 E50 K51L19-L21 HydrophobicContact CB-CB 4.45Å; L19-L21 PolarHBondContact O-N 2.75Å; L19-E22 HydrophobicContact CB-CG 4.33Å; L19-E22 PolarHBondContact N-OE2 2.73Å; L19-E22 WeakPolarHBondContact O-CB 3.42Å; L19-E22 PolarHBondContact O-N 3.2Å; L19-V23 PolarHBondContact O-N 3.01Å; L19-E50 WeakPolarHBondContact CD2-O 3.46Å; L19-K51 WeakPolarHBondContact CA-O 3.42Å
20V97.9Very high96.9Very high0 Ų061.7 Ų61.70%033%0.329CS..Hα-helixtrans-57.4-36.2172.4176.90000110.9E22 V23 K24 L40 M47 D48 K51 Y56V20-E22 VanDerWaalsContact C-N 3.28Å; V20-E22 PolarHBondContact O-N 2.98Å; V20-V23 WeakPolarHBondContact O-CA 3.39Å; V20-V23 WeakPolarHBondContact O-CB 3.27Å; V20-V23 PolarHBondContact O-N 3.34Å; V20-K24 PolarHBondContact O-N 3.29Å; V20-L40 HydrophobicContact CG1-CD1 3.96Å; V20-M47 HydrophobicContact CB-CE 4.5Å; V20-M47 HydrophobicContact CG1-CB 3.82Å; V20-M47 HydrophobicContact CG1-CE 4.24Å; V20-M47 HydrophobicContact CG2-CB 4.07Å; V20-M47 HydrophobicContact CG2-CE 3.52Å; V20-D48 VanDerWaalsContact CB-O 3.27Å; V20-D48 WeakPolarHBondContact CB-O 3.38Å; V20-D48 VanDerWaalsContact CG2-O 3.25Å; V20-D48 WeakPolarHBondContact CG2-O 3.34Å; V20-K51 WeakPolarHBondContact CG2-O 3.5Å; V20-K51 PolarHBondContact N-O 3.17Å; V20-Y56 HydrophobicContact CG2-CD2 4.16Å; V20-Y56 HydrophobicContact CG2-CE2 3.83Å
21L98.1Very high96.8Very high56 Ų5663.5 Ų63.529%0.29334%0.339SS..Hα-helixtrans-56.5-38.9174-176.860.1000113.2L19 V23 K24 K25 P35 D49L19-L21 HydrophobicContact CB-CB 4.45Å; L19-L21 PolarHBondContact O-N 2.75Å; L21-V23 VanDerWaalsContact C-N 3.3Å; L21-V23 PolarHBondContact O-N 3.48Å; L21-K24 PolarHBondContact O-N 3.02Å; L21-K25 WeakPolarHBondContact O-CG 3.28Å; L21-K25 PolarHBondContact O-N 3.37Å; L21-P35 HydrophobicContact CD1-CB 3.95Å; L21-P35 HydrophobicContact CD1-CG 4.43Å; L21-D49 HydrophobicContact CB-CB 4.09Å; L21-D49 PolarHBondContact N-O 2.9Å
22E97.6Very high96.8Very high88 Ų8864.9 Ų64.941%0.41134%0.343SS..Hα-helixtrans-66.3-36.4177.4-62.2-175.2141.700111.1S18 L19 V20 K25 M26S18-E22 WeakPolarHBondContact CA-OE2 3.29Å; S18-E22 WeakPolarHBondContact CB-OE2 3.4Å; S18-E22 PolarHBondContact OG-OE2 2.89Å; L19-E22 HydrophobicContact CB-CG 4.33Å; L19-E22 PolarHBondContact N-OE2 2.73Å; L19-E22 WeakPolarHBondContact O-CB 3.42Å; L19-E22 PolarHBondContact O-N 3.2Å; V20-E22 VanDerWaalsContact C-N 3.28Å; V20-E22 PolarHBondContact O-N 2.98Å; E22-K25 PolarHBondContact O-N 3.15Å; E22-M26 PolarHBondContact O-N 3.16Å
23V97.4Very high96.9Very high0 Ų065.6 Ų65.60%035%0.348CS..Hα-helixtrans-65.2-43.1173.6-176.80000111.3M1 L12 A14 L19 V20 L21 K25 M26 I27 L40 L53M1-V23 HydrophobicContact CE-CG2 4.04Å; M1-V23 HydrophobicContact SD-CG1 4.19Å; M1-V23 HydrophobicContact SD-CG2 4.44Å; L12-V23 HydrophobicContact CD1-CG1 4.09Å; A14-V23 HydrophobicContact CB-CG2 4.44Å; L19-V23 PolarHBondContact O-N 3.01Å; V20-V23 WeakPolarHBondContact O-CA 3.39Å; V20-V23 WeakPolarHBondContact O-CB 3.27Å; V20-V23 PolarHBondContact O-N 3.34Å; L21-V23 VanDerWaalsContact C-N 3.3Å; L21-V23 PolarHBondContact O-N 3.48Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 2.76Å; V23-M26 HydrophobicContact CB-CE 4.21Å; V23-M26 HydrophobicContact CG2-CE 3.87Å; V23-M26 WeakPolarHBondContact O-CB 3.31Å; V23-M26 PolarHBondContact O-N 3.03Å; V23-M26 VanDerWaalsContact O-N 3.14Å; V23-I27 HydrophobicContact CG1-CD1 4.14Å; V23-I27 WeakPolarHBondContact O-CG1 3.18Å; V23-I27 PolarHBondContact O-N 2.83Å; V23-L40 HydrophobicContact CB-CD1 4.2Å; V23-L40 HydrophobicContact CG1-CD1 3.9Å; V23-L53 HydrophobicContact CG2-CD1 3.86Å; V23-L53 HydrophobicContact CG2-CD2 3.8Å; V23-L53 HydrophobicContact CG2-CG 4.25Å
24K98.2Very high97.1Very high12 Ų1265.5 Ų65.55%0.05233%0.333CS..Hα-helixtrans-61.1-38174.8-67.6-173.9-179.7176.90112.6V20 L21 I27 E28 P35 Q38 L40 D49V20-K24 PolarHBondContact O-N 3.29Å; L21-K24 PolarHBondContact O-N 3.02Å; K24-I27 PolarHBondContact O-N 3.24Å; K24-E28 PolarHBondContact O-N 3.02Å; K24-P35 HydrophobicContact CB-CB 3.77Å; K24-P35 HydrophobicContact CB-CG 4.22Å; K24-P35 HydrophobicContact CD-CB 4.15Å; K24-P35 WeakPolarHBondContact CD-O 3.3Å; K24-Q38 HydrophobicContact CD-CB 4.2Å; K24-Q38 WeakPolarHBondContact CE-O 3.33Å; K24-Q38 HydrophobicContact CG-CB 4.29Å; K24-Q38 PolarHBondContact NZ-O 3.39Å; K24-Q38 PolarHBondContact O-NE2 2.75Å; K24-Q38 PolarHBondContact O-OE1 2.87Å; K24-L40 HydrophobicContact CG-CD1 3.83Å; K24-L40 HydrophobicContact CG-CG 4.28Å; K24-D49 WeakPolarHBondContact CD-OD1 3.25Å; K24-D49 WeakPolarHBondContact CE-OD1 3.27Å; K24-D49 VanDerWaalsContact NZ-CG 3.26Å; K24-D49 IonicContact NZ-OD1 3.38Å; K24-D49 PolarHBondContact NZ-OD1 2.92Å; K24-D49 IonicContact NZ-OD2 2.73Å; K24-D49 PolarHBondContact NZ-OD2 3.12Å
25K98Very high97.2Very high116 Ų11664.8 Ų64.850%0.50433%0.326SS..Hα-helixtrans-64.8-37.6173-72.3175178.5176.70112.7L21 E22 V23 I27 E28 G29 P35L21-K25 WeakPolarHBondContact O-CG 3.28Å; L21-K25 PolarHBondContact O-N 3.37Å; E22-K25 PolarHBondContact O-N 3.15Å; V23-K25 VanDerWaalsContact C-N 3.31Å; V23-K25 PolarHBondContact O-N 2.76Å; K25-I27 VanDerWaalsContact C-N 3.34Å; K25-E28 WeakPolarHBondContact O-CB 3.36Å; K25-E28 PolarHBondContact O-N 3.1Å; K25-G29 PolarHBondContact O-N 3.16Å; K25-G29 VanDerWaalsContact O-N 3.07Å; K25-P35 HydrophobicContact CG-CG 4.04Å
26M97.8Very high97.2Very high66 Ų6662.8 Ų62.833%0.32532%0.319SS..Hα-helixtrans-63.3-42.1172.6-73-174.8-8100111.6L12 A14 E22 V23 G29 I30L12-M26 HydrophobicContact CD1-CB 4.31Å; L12-M26 HydrophobicContact CD2-CB 4.37Å; A14-M26 HydrophobicContact CB-CE 3.84Å; E22-M26 PolarHBondContact O-N 3.16Å; V23-M26 HydrophobicContact CB-CE 4.21Å; V23-M26 HydrophobicContact CG2-CE 3.87Å; V23-M26 WeakPolarHBondContact O-CB 3.31Å; V23-M26 PolarHBondContact O-N 3.03Å; V23-M26 VanDerWaalsContact O-N 3.14Å; M26-G29 PolarHBondContact O-N 3.42Å; M26-I30 PolarHBondContact O-N 2.91Å
27I97.5Very high97.3Very high0 Ų060.8 Ų60.80%031%0.311CS..Hα-helixtrans-65.8-39.6175.9-64.3163.4000110.9V3 L12 V23 K24 K25 G29 I30 L31 Q38 L40 L73V3-I27 HydrophobicContact CG1-CD1 3.98Å; V3-I27 HydrophobicContact CG2-CD1 4.16Å; L12-I27 HydrophobicContact CD1-CD1 4.5Å; L12-I27 HydrophobicContact CD1-CG1 3.81Å; V23-I27 HydrophobicContact CG1-CD1 4.14Å; V23-I27 WeakPolarHBondContact O-CG1 3.18Å; V23-I27 PolarHBondContact O-N 2.83Å; K24-I27 PolarHBondContact O-N 3.24Å; K25-I27 VanDerWaalsContact C-N 3.34Å; I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 2.81Å; I27-I30 PolarHBondContact O-N 3.46Å; I27-L31 HydrophobicContact CG2-CB 4.43Å; I27-L31 HydrophobicContact CG2-CD1 3.75Å; I27-L31 HydrophobicContact CG2-CG 4.14Å; I27-L31 PolarHBondContact O-N 3.27Å; I27-Q38 VanDerWaalsContact CB-OE1 3.26Å; I27-Q38 VanDerWaalsContact CG2-OE1 3.29Å; I27-L40 HydrophobicContact CD1-CD1 4.16Å; I27-L40 HydrophobicContact CD1-CD2 3.72Å; I27-L40 HydrophobicContact CD1-CG 4.38Å; I27-L73 HydrophobicContact CD1-CD1 4.45Å; I27-L73 HydrophobicContact CG2-CD2 3.96Å
28E97.9Very high97.4Very high70 Ų7056 Ų5633%0.32728%0.282SS..Hα-helixtrans-56.3-43.6173.6175.8-178.9-147.100111K24 K25 I30 K32 V33K24-E28 PolarHBondContact O-N 3.02Å; K25-E28 WeakPolarHBondContact O-CB 3.36Å; K25-E28 PolarHBondContact O-N 3.1Å; E28-I30 PolarHBondContact O-N 3.27Å; E28-I30 VanDerWaalsContact O-N 3.16Å; E28-K32 WeakPolarHBondContact O-CA 3.41Å; E28-K32 PolarHBondContact O-N 2.74Å; E28-V33 VanDerWaalsContact CA-O 3.24Å; E28-V33 WeakPolarHBondContact CA-O 3.48Å; E28-V33 WeakPolarHBondContact CB-O 3.21Å; E28-V33 WeakPolarHBondContact CG-O 3.48Å
29G97.5Very high97.4Very high44 Ų4456.5 Ų56.545%0.45428%0.283SS..Hα-helixtrans-55.8-32.8175.800000113.7K25 M26 I27 K32K25-G29 PolarHBondContact O-N 3.16Å; K25-G29 VanDerWaalsContact O-N 3.07Å; M26-G29 PolarHBondContact O-N 3.42Å; I27-G29 VanDerWaalsContact C-N 3.28Å; I27-G29 PolarHBondContact O-N 2.81Å; G29-K32 PolarHBondContact O-NZ 3.34Å
30I97.2Very high97.4Very high91 Ų9153.3 Ų53.347%0.46727%0.266SS..Hα-helixtrans-93.2-50.6-175-61.1168.8000111.9I10 L12 M26 I27 E28I10-I30 HydrophobicContact CD1-CG2 4.13Å; I10-I30 HydrophobicContact CG2-CD1 3.52Å; L12-I30 HydrophobicContact CD2-CD1 3.78Å; M26-I30 PolarHBondContact O-N 2.91Å; I27-I30 PolarHBondContact O-N 3.46Å; E28-I30 PolarHBondContact O-N 3.27Å; E28-I30 VanDerWaalsContact O-N 3.16Å
31L96.1Very high97.4Very high55 Ų5554.1 Ų54.129%0.28827%0.27SS..Hα-helixtrans-95-10.4-173.7-62.7-175.5000113.8I10 I27 V33 L73I10-L31 HydrophobicContact CD1-CD1 4.01Å; I10-L31 HydrophobicContact CD1-CD2 4.14Å; I10-L31 HydrophobicContact CD1-CG 3.97Å; I27-L31 HydrophobicContact CG2-CB 4.43Å; I27-L31 HydrophobicContact CG2-CD1 3.75Å; I27-L31 HydrophobicContact CG2-CG 4.14Å; I27-L31 PolarHBondContact O-N 3.27Å; L31-V33 VanDerWaalsContact C-N 3.25Å; L31-V33 HydrophobicContact CB-CG2 4.23Å; L31-V33 PolarHBondContact O-N 3.34Å; L31-L73 HydrophobicContact CD1-CD2 3.61Å
32K96.4Very high97.2Very high169 Ų16953.4 Ų53.474%0.73527%0.265SS*.  trans59.233.9-176.1-50.4-53.1-173.9-166.80113.6E28 G29E28-K32 WeakPolarHBondContact O-CA 3.41Å; E28-K32 PolarHBondContact O-N 2.74Å; G29-K32 PolarHBondContact O-NZ 3.34Å
33V96.5Very high96.8Very high33 Ų3356.5 Ų56.520%0.228%0.279CS..  trans-113130.6175.6-177.30000108.5E28 L31 D37 Q38 L75E28-V33 VanDerWaalsContact CA-O 3.24Å; E28-V33 WeakPolarHBondContact CA-O 3.48Å; E28-V33 WeakPolarHBondContact CB-O 3.21Å; E28-V33 WeakPolarHBondContact CG-O 3.48Å; L31-V33 VanDerWaalsContact C-N 3.25Å; L31-V33 HydrophobicContact CB-CG2 4.23Å; L31-V33 PolarHBondContact O-N 3.34Å; V33-D37 HydrophobicContact CG1-CB 3.61Å; V33-Q38 HydrophobicContact CB-CG 4.45Å; V33-Q38 HydrophobicContact CG1-CG 4.08Å; V33-Q38 PolarHBondContact O-NE2 2.94Å; V33-L75 HydrophobicContact CB-CD2 4.47Å; V33-L75 HydrophobicContact CG1-CD2 4.11Å; V33-L75 HydrophobicContact CG2-CD1 4.12Å
34K97.2Very high96.4Very high110 Ų11063.2 Ų63.248%0.47831%0.31SS..  trans-65.6154.6-177.9-64.9179.8-177.4177.90111.9E36 D37 Q38K34-E36 HydrophobicContact CB-CG 3.91Å; K34-E36 HydrophobicContact CD-CG 4.22Å; K34-E36 WeakPolarHBondContact CD-OE1 3.47Å; K34-E36 IonicContact NZ-OE1 3.03Å; K34-E36 PolarHBondContact NZ-OE1 3.3Å; K34-E36 PolarHBondContact O-N 3.38Å; K34-D37 PolarHBondContact O-N 3.06Å; K34-Q38 WeakPolarHBondContact O-CG 3.38Å
35P97.6Very high96.3Very high19 Ų1966.7 Ų66.712%0.12333%0.332CS..G310 helixtrans-55.4-33.7176.9-2936.9000115.1L21 K24 K25 D37 Q38L21-P35 HydrophobicContact CD1-CB 3.95Å; L21-P35 HydrophobicContact CD1-CG 4.43Å; K24-P35 HydrophobicContact CB-CB 3.77Å; K24-P35 HydrophobicContact CB-CG 4.22Å; K24-P35 HydrophobicContact CD-CB 4.15Å; K24-P35 WeakPolarHBondContact CD-O 3.3Å; K25-P35 HydrophobicContact CG-CG 4.04Å; P35-D37 PolarHBondContact O-N 3.25Å; P35-Q38 PolarHBondContact O-N 3.27Å; P35-Q38 VanDerWaalsContact O-N 3.13Å
36E96.3Very high96.2Very high117 Ų11766.6 Ų66.655%0.54733%0.334SS..G310 helixtrans-65.3-21.4178.363.2-167.1-178.700114.1K34 R76K34-E36 HydrophobicContact CB-CG 3.91Å; K34-E36 HydrophobicContact CD-CG 4.22Å; K34-E36 WeakPolarHBondContact CD-OE1 3.47Å; K34-E36 IonicContact NZ-OE1 3.03Å; K34-E36 PolarHBondContact NZ-OE1 3.3Å; K34-E36 PolarHBondContact O-N 3.38Å; E36-R76 PolarHBondContact O-NH2 3.35Å; E36-R76 VanDerWaalsContact O-NH2 3.1Å
37D97.3Very high96.2Very high45 Ų4563.6 Ų63.624%0.24132%0.319CS..G310 helixtrans-10310.8178.7-63.5-41.5000112.2V33 K34 P35 L75 R76V33-D37 HydrophobicContact CG1-CB 3.61Å; K34-D37 PolarHBondContact O-N 3.06Å; P35-D37 PolarHBondContact O-N 3.25Å; D37-L75 CarbonylContact O-C 3.57Å; D37-L75 WeakPolarHBondContact O-CA 3.4Å; D37-R76 HydrophobicContact CB-CB 3.94Å; D37-R76 PolarHBondContact O-N 3.03Å; D37-R76 VanDerWaalsContact OD1-CD 3.27Å; D37-R76 WeakPolarHBondContact OD1-CD 3.5Å; D37-R76 IonicContact OD1-NE 3.43Å; D37-R76 PolarHBondContact OD1-NE 3.29Å
38Q97.7Very high96.2Very high1 Ų167 Ų671%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-117.7128.2176.5-62.6176.33700110.9K24 I27 V33 K34 P35 L73 L75K24-Q38 HydrophobicContact CD-CB 4.2Å; K24-Q38 WeakPolarHBondContact CE-O 3.33Å; K24-Q38 HydrophobicContact CG-CB 4.29Å; K24-Q38 PolarHBondContact NZ-O 3.39Å; K24-Q38 PolarHBondContact O-NE2 2.75Å; K24-Q38 PolarHBondContact O-OE1 2.87Å; I27-Q38 VanDerWaalsContact CB-OE1 3.26Å; I27-Q38 VanDerWaalsContact CG2-OE1 3.29Å; V33-Q38 HydrophobicContact CB-CG 4.45Å; V33-Q38 HydrophobicContact CG1-CG 4.08Å; V33-Q38 PolarHBondContact O-NE2 2.94Å; K34-Q38 WeakPolarHBondContact O-CG 3.38Å; P35-Q38 PolarHBondContact O-N 3.27Å; P35-Q38 VanDerWaalsContact O-N 3.13Å; Q38-L73 HydrophobicContact CB-CD1 4.04Å; Q38-L73 HydrophobicContact CG-CD1 4.23Å; Q38-L75 HydrophobicContact CG-CD2 4Å
39M97.5Very high96.2Very high27 Ų2766 Ų6613%0.13333%0.334CS..EExtended strand (participates in β ladder)trans-114119.1169.6-179.9178.462.100108.5L41 E46 C74 F83M39-L41 HydrophobicContact CE-CD1 4.03Å; M39-L41 HydrophobicContact CG-CD1 4.14Å; M39-E46 HydrophobicContact CG-CG 3.9Å; M39-E46 HydrophobicContact SD-CG 4.26Å; M39-C74 HydrophobicContact CB-CB 4.14Å; M39-C74 HydrophobicContact CE-CB 3.44Å; M39-C74 VanDerWaalsContact CE-CB 3.44Å; M39-C74 PolarHBondContact N-O 3.37Å; M39-C74 PolarHBondContact O-N 3.48Å; M39-F83 HydrophobicContact CB-CD1 3.69Å; M39-F83 HydrophobicContact CB-CE1 3.69Å; M39-F83 HydrophobicContact CB-CG 4.2Å; M39-F83 HydrophobicContact CB-CZ 4.19Å; M39-F83 HydrophobicContact CE-CB 3.88Å; M39-F83 HydrophobicContact CE-CG 4.21Å; M39-F83 HydrophobicContact SD-CG 4.4Å
40L97.7Very high96.2Very high0 Ų071.5 Ų71.50%035%0.348CS..EExtended strand (participates in β ladder)trans-97.6134.5175.8-72.3177.1000109.7V3 V20 V23 K24 I27 M47 G72 L73V3-L40 HydrophobicContact CG1-CD2 4.06Å; V20-L40 HydrophobicContact CG1-CD1 3.96Å; V23-L40 HydrophobicContact CB-CD1 4.2Å; V23-L40 HydrophobicContact CG1-CD1 3.9Å; K24-L40 HydrophobicContact CG-CD1 3.83Å; K24-L40 HydrophobicContact CG-CG 4.28Å; I27-L40 HydrophobicContact CD1-CD1 4.16Å; I27-L40 HydrophobicContact CD1-CD2 3.72Å; I27-L40 HydrophobicContact CD1-CG 4.38Å; L40-M47 HydrophobicContact CB-CB 4.23Å; L40-M47 HydrophobicContact CB-SD 4.15Å; L40-M47 WeakPolarHBondContact O-CB 3.4Å; L40-M47 PolarHBondContact O-N 2.87Å; L40-G72 CarbonylContact C-O 3.45Å; L40-G72 WeakPolarHBondContact CA-O 3.43Å; L40-L73 HydrophobicContact CD2-CB 4.25Å; L40-L73 HydrophobicContact CD2-CD1 3.92Å
41L97.1Very high96.2Very high18 Ų1870.9 Ų70.99%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-122.5138.9177.5-55.292000112M39 T45 L71 G72 C74 L86M39-L41 HydrophobicContact CE-CD1 4.03Å; M39-L41 HydrophobicContact CG-CD1 4.14Å; L41-T45 CarbonylContact C-O 3.53Å; L41-T45 VanDerWaalsContact CA-O 3.27Å; L41-T45 WeakPolarHBondContact CA-O 3.43Å; L41-L71 CarbonylContact O-C 3.58Å; L41-L71 WeakPolarHBondContact O-CA 3.45Å; L41-G72 PolarHBondContact N-O 2.99Å; L41-G72 PolarHBondContact O-N 2.98Å; L41-C74 HydrophobicContact CD1-CB 4.29Å; L41-L86 HydrophobicContact CD1-CD1 4.21Å
42K95.3Very high96.3Very high40 Ų4069.7 Ų69.717%0.17434%0.338CS..EExtended strand (participates in β ladder)trans-113.8113.7164.9-177.5174.2-177.4-94.90109.5Q44 T45 M47 Y56 L58 L71K42-Q44 VanDerWaalsContact C-N 3.3Å; K42-Q44 PolarHBondContact O-N 2.89Å; K42-T45 PolarHBondContact N-O 2.93Å; K42-T45 WeakPolarHBondContact O-CB 3.48Å; K42-T45 PolarHBondContact O-N 3.43Å; K42-M47 HydrophobicContact CB-CG 4.38Å; K42-M47 HydrophobicContact CB-SD 4.02Å; K42-Y56 WeakPolarHBondContact CD-O 3.44Å; K42-Y56 WeakPolarHBondContact CE-O 3.48Å; K42-Y56 PolarHBondContact NZ-O 3.33Å; K42-L58 HydrophobicContact CD-CD2 4.22Å; K42-L58 HydrophobicContact CD-CG 4.36Å; K42-L71 HydrophobicContact CB-CD2 3.97Å; K42-L71 HydrophobicContact CG-CD2 4.33Å
43H89.6Confident96.3Very high154 Ų15461.8 Ų61.871%0.71330%0.304SS*.THydrogen-bonded Turntrans47.846.2-177.9-49.1-63.4000114T45H43-T45 VanDerWaalsContact C-N 3.28Å; H43-T45 PolarHBondContact O-N 3.36Å
44Q88.9Confident96.2Very high141 Ų14162.7 Ų62.766%0.65931%0.312SS*.THydrogen-bonded Turntrans76.6-6.9-174.9-45.1-60.475.200116.6K42K42-Q44 VanDerWaalsContact C-N 3.3Å; K42-Q44 PolarHBondContact O-N 2.89Å
45T94.9Very high96.2Very high84 Ų8464.5 Ų64.552%0.51532%0.317SS..EExtended strand (participates in β ladder)trans-85.9120.3173.9-54.40000110.1L41 K42 H43L41-T45 CarbonylContact C-O 3.53Å; L41-T45 VanDerWaalsContact CA-O 3.27Å; L41-T45 WeakPolarHBondContact CA-O 3.43Å; K42-T45 PolarHBondContact N-O 2.93Å; K42-T45 WeakPolarHBondContact O-CB 3.48Å; K42-T45 PolarHBondContact O-N 3.43Å; H43-T45 VanDerWaalsContact C-N 3.28Å; H43-T45 PolarHBondContact O-N 3.36Å
46E96.6Very high96.1Very high114 Ų11464.8 Ų64.853%0.53332%0.316SS..EExtended strand (participates in β ladder)trans-61.3136.9170.3-177.6174.7175.100110.8M39M39-E46 HydrophobicContact CG-CG 3.9Å; M39-E46 HydrophobicContact SD-CG 4.26Å
47M97.4Very high96Very high3 Ų363.5 Ų63.52%0.01531%0.312CS..PPolyproline II helixtrans-97129.9-178.2-64.8175.558.500110.9V20 L40 K42 L53 Y56 L58 L71V20-M47 HydrophobicContact CB-CE 4.5Å; V20-M47 HydrophobicContact CG1-CB 3.82Å; V20-M47 HydrophobicContact CG1-CE 4.24Å; V20-M47 HydrophobicContact CG2-CB 4.07Å; V20-M47 HydrophobicContact CG2-CE 3.52Å; L40-M47 HydrophobicContact CB-CB 4.23Å; L40-M47 HydrophobicContact CB-SD 4.15Å; L40-M47 WeakPolarHBondContact O-CB 3.4Å; L40-M47 PolarHBondContact O-N 2.87Å; K42-M47 HydrophobicContact CB-CG 4.38Å; K42-M47 HydrophobicContact CB-SD 4.02Å; M47-L53 HydrophobicContact CE-CD2 4.04Å; M47-Y56 WeakPolarHBondContact CA-OH 3.4Å; M47-Y56 HydrophobicContact CB-CD2 4.5Å; M47-Y56 HydrophobicContact CB-CE1 4.39Å; M47-Y56 HydrophobicContact CB-CE2 3.92Å; M47-Y56 HydrophobicContact CE-CD2 3.64Å; M47-Y56 HydrophobicContact CE-CE2 4.09Å; M47-Y56 HydrophobicContact CE-CG 4.05Å; M47-Y56 HydrophobicContact CG-CD1 4.06Å; M47-Y56 HydrophobicContact CG-CD2 4.17Å; M47-Y56 HydrophobicContact CG-CE1 3.92Å; M47-Y56 HydrophobicContact CG-CE2 3.99Å; M47-Y56 HydrophobicContact CG-CG 4.2Å; M47-L58 HydrophobicContact CE-CD1 3.96Å; M47-L71 HydrophobicContact CE-CD1 4.29Å; M47-L71 HydrophobicContact CE-CD2 4.47Å; M47-L71 HydrophobicContact SD-CD1 4.15Å; M47-L71 HydrophobicContact SD-CD2 3.69Å
48D97.4Very high95.9Very high73 Ų7361.7 Ų61.739%0.3930%0.303SS..PPolyproline II helixtrans-84.5133.2179.8175.5-8.1000110.3V20 E50 K51 Y56V20-D48 VanDerWaalsContact CB-O 3.27Å; V20-D48 WeakPolarHBondContact CB-O 3.38Å; V20-D48 VanDerWaalsContact CG2-O 3.25Å; V20-D48 WeakPolarHBondContact CG2-O 3.34Å; D48-E50 PolarHBondContact O-N 2.75Å; D48-E50 PolarHBondContact OD1-N 3.15Å; D48-K51 HydrophobicContact CB-CB 4.46Å; D48-K51 HydrophobicContact CB-CG 3.78Å; D48-K51 PolarHBondContact O-N 3.18Å; D48-K51 VanDerWaalsContact O-N 3.1Å; D48-Y56 PolarHBondContact N-OH 2.98Å
49D97.5Very high95.7Very high47 Ų4763.2 Ų63.225%0.25131%0.311SS..THydrogen-bonded Turntrans-59.8-27.8-176.4-77-18.1000113.7L21 K24L21-D49 HydrophobicContact CB-CB 4.09Å; L21-D49 PolarHBondContact N-O 2.9Å; K24-D49 WeakPolarHBondContact CD-OD1 3.25Å; K24-D49 WeakPolarHBondContact CE-OD1 3.27Å; K24-D49 VanDerWaalsContact NZ-CG 3.26Å; K24-D49 IonicContact NZ-OD1 3.38Å; K24-D49 PolarHBondContact NZ-OD1 2.92Å; K24-D49 IonicContact NZ-OD2 2.73Å; K24-D49 PolarHBondContact NZ-OD2 3.12Å
50E97.4Very high95.3Very high161 Ų16166.3 Ų66.375%0.75234%0.335SS*.THydrogen-bonded Turntrans-87.3-9.6-180-59.9-170.4166.400113.6L19 D48L19-E50 WeakPolarHBondContact CD2-O 3.46Å; D48-E50 PolarHBondContact O-N 2.75Å; D48-E50 PolarHBondContact OD1-N 3.15Å
51K97.9Very high95Very high78 Ų7873.9 Ų73.934%0.33937%0.371SS..SBendtrans-86.6149.2178.9-61.9-61.4-179.7-162.80110.9L19 V20 D48 Y55 Y56L19-K51 WeakPolarHBondContact CA-O 3.42Å; V20-K51 WeakPolarHBondContact CG2-O 3.5Å; V20-K51 PolarHBondContact N-O 3.17Å; D48-K51 HydrophobicContact CB-CB 4.46Å; D48-K51 HydrophobicContact CB-CG 3.78Å; D48-K51 PolarHBondContact O-N 3.18Å; D48-K51 VanDerWaalsContact O-N 3.1Å; K51-Y55 HydrophobicContact CB-CD1 3.96Å; K51-Y55 HydrophobicContact CB-CG 4.21Å; K51-Y55 HydrophobicContact CD-CD1 4Å; K51-Y55 HydrophobicContact CD-CD2 4.22Å; K51-Y55 HydrophobicContact CD-CE1 4.12Å; K51-Y55 HydrophobicContact CD-CE2 4.34Å; K51-Y55 HydrophobicContact CD-CG 4.05Å; K51-Y55 HydrophobicContact CG-CD1 3.88Å; K51-Y55 HydrophobicContact CG-CE1 4.14Å; K51-Y55 HydrophobicContact CG-CG 4.3Å; K51-Y56 HydrophobicContact CB-CD2 4.48Å; K51-Y56 HydrophobicContact CB-CE2 3.65Å; K51-Y56 HydrophobicContact CG-CE2 4.34Å
52S97.5Very high94.8Very high29 Ų2975.7 Ų75.720%0.20338%0.382CS..BIsolated β-bridgetrans-77.1160.3171.563.20000111.4S18 S54 Y55S18-S52 CarbonylContact O-C 3.58Å; S18-S52 VanDerWaalsContact O-CA 3.31Å; S18-S52 WeakPolarHBondContact O-CA 2.94Å; S52-S54 PolarHBondContact O-N 3.28Å; S52-S54 PolarHBondContact OG-OG 2.79Å; S52-Y55 VanDerWaalsContact O-CB 3.29Å; S52-Y55 WeakPolarHBondContact O-CB 3.34Å; S52-Y55 PolarHBondContact O-N 2.86Å; S52-Y55 VanDerWaalsContact O-N 3.16Å; S52-Y55 PolarHBondContact OG-N 3.01Å
53L96.8Very high94.6Very high3 Ų375 Ų752%0.01638%0.384CS..G310 helixtrans-61.2-34.9171.2-65.3175.3000112.1M1 A14 E16 S18 V23 M47 Y55 Y56 L58M1-L53 HydrophobicContact CE-CD1 3.46Å; M1-L53 VanDerWaalsContact CE-CD1 3.46Å; M1-L53 HydrophobicContact CE-CD2 4.3Å; A14-L53 HydrophobicContact CB-CD1 3.55Å; E16-L53 PolarHBondContact O-N 2.86Å; S18-L53 WeakPolarHBondContact O-CG 3.12Å; S18-L53 PolarHBondContact O-N 2.82Å; V23-L53 HydrophobicContact CG2-CD1 3.86Å; V23-L53 HydrophobicContact CG2-CD2 3.8Å; V23-L53 HydrophobicContact CG2-CG 4.25Å; M47-L53 HydrophobicContact CE-CD2 4.04Å; L53-Y55 VanDerWaalsContact C-N 3.28Å; L53-Y55 PolarHBondContact O-N 3.4Å; L53-Y56 PolarHBondContact O-N 3.02Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CB-CD1 4.24Å; L53-L58 HydrophobicContact CD2-CD1 3.67Å; L53-L58 VanDerWaalsContact O-CB 3.3Å; L53-L58 WeakPolarHBondContact O-CB 3.33Å; L53-L58 PolarHBondContact O-N 2.9Å
54S95.9Very high94.7Very high53 Ų5373.3 Ų73.337%0.37137%0.372SS..G310 helixtrans-60.7-33174.761.20000113.4E16 S52 Y56 N57E16-S54 WeakPolarHBondContact O-CB 3.39Å; E16-S54 PolarHBondContact O-N 2.78Å; E16-S54 PolarHBondContact O-OG 3.01Å; S52-S54 PolarHBondContact O-N 3.28Å; S52-S54 PolarHBondContact OG-OG 2.79Å; S54-Y56 PolarHBondContact O-N 3.28Å; S54-N57 WeakPolarHBondContact O-CA 3.4Å; S54-N57 PolarHBondContact O-N 3.1Å
55Y96.4Very high94.7Very high148 Ų14871.8 Ų71.858%0.5838%0.383SS*.G310 helixtrans-58.5-35.4175.1-178.3-98.5000111.7K51 S52 L53 N57K51-Y55 HydrophobicContact CB-CD1 3.96Å; K51-Y55 HydrophobicContact CB-CG 4.21Å; K51-Y55 HydrophobicContact CD-CD1 4Å; K51-Y55 HydrophobicContact CD-CD2 4.22Å; K51-Y55 HydrophobicContact CD-CE1 4.12Å; K51-Y55 HydrophobicContact CD-CE2 4.34Å; K51-Y55 HydrophobicContact CD-CG 4.05Å; K51-Y55 HydrophobicContact CG-CD1 3.88Å; K51-Y55 HydrophobicContact CG-CE1 4.14Å; K51-Y55 HydrophobicContact CG-CG 4.3Å; S52-Y55 VanDerWaalsContact O-CB 3.29Å; S52-Y55 WeakPolarHBondContact O-CB 3.34Å; S52-Y55 PolarHBondContact O-N 2.86Å; S52-Y55 VanDerWaalsContact O-N 3.16Å; S52-Y55 PolarHBondContact OG-N 3.01Å; L53-Y55 VanDerWaalsContact C-N 3.28Å; L53-Y55 PolarHBondContact O-N 3.4Å; Y55-N57 VanDerWaalsContact C-N 3.26Å; Y55-N57 PolarHBondContact O-N 3.23Å
56Y95.9Very high94.6Very high25 Ų2574.4 Ų74.410%0.09839%0.389CS..G310 helixtrans-87.111.4176.2-67.3-73000113.5V20 K42 M47 D48 K51 L53 S54 L58V20-Y56 HydrophobicContact CG2-CD2 4.16Å; V20-Y56 HydrophobicContact CG2-CE2 3.83Å; K42-Y56 WeakPolarHBondContact CD-O 3.44Å; K42-Y56 WeakPolarHBondContact CE-O 3.48Å; K42-Y56 PolarHBondContact NZ-O 3.33Å; M47-Y56 WeakPolarHBondContact CA-OH 3.4Å; M47-Y56 HydrophobicContact CB-CD2 4.5Å; M47-Y56 HydrophobicContact CB-CE1 4.39Å; M47-Y56 HydrophobicContact CB-CE2 3.92Å; M47-Y56 HydrophobicContact CE-CD2 3.64Å; M47-Y56 HydrophobicContact CE-CE2 4.09Å; M47-Y56 HydrophobicContact CE-CG 4.05Å; M47-Y56 HydrophobicContact CG-CD1 4.06Å; M47-Y56 HydrophobicContact CG-CD2 4.17Å; M47-Y56 HydrophobicContact CG-CE1 3.92Å; M47-Y56 HydrophobicContact CG-CE2 3.99Å; M47-Y56 HydrophobicContact CG-CG 4.2Å; D48-Y56 PolarHBondContact N-OH 2.98Å; K51-Y56 HydrophobicContact CB-CD2 4.48Å; K51-Y56 HydrophobicContact CB-CE2 3.65Å; K51-Y56 HydrophobicContact CG-CE2 4.34Å; L53-Y56 PolarHBondContact O-N 3.02Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; S54-Y56 PolarHBondContact O-N 3.28Å; Y56-L58 VanDerWaalsContact C-N 3.3Å; Y56-L58 PolarHBondContact O-N 2.76Å
57N94.4Very high94.4Very high89 Ų8971.7 Ų71.748%0.47638%0.38SS..THydrogen-bonded Turntrans58.739.9-174.7-156.535.6000112.2S54 Y55 N59 T62S54-N57 WeakPolarHBondContact O-CA 3.4Å; S54-N57 PolarHBondContact O-N 3.1Å; Y55-N57 VanDerWaalsContact C-N 3.26Å; Y55-N57 PolarHBondContact O-N 3.23Å; N57-N59 PolarHBondContact OD1-ND2 3.26Å; N57-T62 WeakPolarHBondContact O-CB 3.4Å; N57-T62 PolarHBondContact O-OG1 2.83Å
58L94.9Very high94.2Very high8 Ų873.6 Ų73.64%0.04239%0.393CS..  trans-10388.1170.1-57.3167.3000108.2K42 M47 L53 Y56 A69 L71K42-L58 HydrophobicContact CD-CD2 4.22Å; K42-L58 HydrophobicContact CD-CG 4.36Å; M47-L58 HydrophobicContact CE-CD1 3.96Å; L53-L58 HydrophobicContact CB-CB 4Å; L53-L58 HydrophobicContact CB-CD1 4.24Å; L53-L58 HydrophobicContact CD2-CD1 3.67Å; L53-L58 VanDerWaalsContact O-CB 3.3Å; L53-L58 WeakPolarHBondContact O-CB 3.33Å; L53-L58 PolarHBondContact O-N 2.9Å; Y56-L58 VanDerWaalsContact C-N 3.3Å; Y56-L58 PolarHBondContact O-N 2.76Å; L58-A69 HydrophobicContact CD2-CB 3.38Å; L58-L71 HydrophobicContact CD1-CD1 4.24Å; L58-L71 HydrophobicContact CD1-CD2 4Å; L58-L71 HydrophobicContact CD2-CD2 4.28Å
59N92.7Very high94.1Very high32 Ų3270.9 Ų70.917%0.17138%0.381CS..SBendtrans-131.6177.9-175.15741.1000111.1E16 N57 Q61 T62 A63E16-N59 HydrophobicContact CB-CB 4.47Å; E16-N59 VanDerWaalsContact OE2-CB 3.23Å; E16-N59 WeakPolarHBondContact OE2-CB 3.37Å; N57-N59 PolarHBondContact OD1-ND2 3.26Å; N59-Q61 PolarHBondContact O-N 2.74Å; N59-Q61 VanDerWaalsContact O-N 3.12Å; N59-Q61 PolarHBondContact OD1-N 3.01Å; N59-Q61 VanDerWaalsContact OD1-N 3.16Å; N59-T62 PolarHBondContact N-OG1 2.82Å; N59-T62 PolarHBondContact O-N 3.03Å; N59-T62 PolarHBondContact O-OG1 2.83Å; N59-T62 WeakPolarHBondContact OD1-CG2 3.47Å; N59-T62 PolarHBondContact OD1-N 2.92Å; N59-T62 PolarHBondContact OD1-OG1 3.2Å; N59-A63 WeakPolarHBondContact O-CB 3.43Å; N59-A63 PolarHBondContact O-N 2.88Å
60S90.1Very high94Very high92 Ų9272 Ų7264%0.64339%0.389SS*.THydrogen-bonded Turntrans-57.1-26.3-178.957.90000114.6R64S60-R64 WeakPolarHBondContact O-CG 2.91Å
61Q90.8Very high94Very high160 Ų16064.3 Ų64.375%0.74835%0.353SS*.THydrogen-bonded Turntrans-84.2-36.3-179.3-60.7-178.33.900112.6N59N59-Q61 PolarHBondContact O-N 2.74Å; N59-Q61 VanDerWaalsContact O-N 3.12Å; N59-Q61 PolarHBondContact OD1-N 3.01Å; N59-Q61 VanDerWaalsContact OD1-N 3.16Å
62T92Very high93.9Very high55 Ų5560.9 Ų60.934%0.33734%0.34SS..THydrogen-bonded Turntrans-95.4-24.9-173.951.80000113.6N57 N59N57-T62 WeakPolarHBondContact O-CB 3.4Å; N57-T62 PolarHBondContact O-OG1 2.83Å; N59-T62 PolarHBondContact N-OG1 2.82Å; N59-T62 PolarHBondContact O-N 3.03Å; N59-T62 PolarHBondContact O-OG1 2.83Å; N59-T62 WeakPolarHBondContact OD1-CG2 3.47Å; N59-T62 PolarHBondContact OD1-N 2.92Å; N59-T62 PolarHBondContact OD1-OG1 3.2Å
63A92Very high94Very high26 Ų2659.7 Ų59.722%0.21533%0.331CS..SBendtrans-118.849-177.200000111.9N59 A69N59-A63 WeakPolarHBondContact O-CB 3.43Å; N59-A63 PolarHBondContact O-N 2.88Å; A63-A69 HydrophobicContact CB-CB 3.68Å
64R91.6Very high94Very high119 Ų11959.6 Ų59.645%0.44933%0.331SS..BIsolated β-bridgetrans-63154.5-178.8-59.8179.5-62.5179.3-1.8111.7S60 H66 T67 P68S60-R64 WeakPolarHBondContact O-CG 2.91Å; R64-H66 VanDerWaalsContact C-N 3.29Å; R64-H66 VanDerWaalsContact CZ-NE2 3.28Å; R64-H66 PolarHBondContact NE-NE2 3Å; R64-H66 PolarHBondContact O-N 2.82Å; R64-T67 PolarHBondContact N-O 3.4Å; R64-T67 PolarHBondContact NE-OG1 2.73Å; R64-T67 VanDerWaalsContact NE-OG1 3.15Å; R64-T67 PolarHBondContact NH2-OG1 2.99Å; R64-T67 CarbonylContact O-C 3.55Å; R64-T67 PolarHBondContact O-N 3.14Å; R64-T67 VanDerWaalsContact O-O 3.09Å; R64-P68 WeakPolarHBondContact O-CA 3.21Å; R64-P68 VanDerWaalsContact O-N 3.07Å
65A89.3Confident94Very high108 Ų10858 Ų5889%0.89332%0.318SS*.THydrogen-bonded Turntrans-56.6-39.8-179.300000113.6
66H91.6Very high94Very high139 Ų13955 Ų5564%0.64431%0.306SS*.THydrogen-bonded Turntrans-85.7-14.8178.563.5-83.9000113.7R64R64-H66 VanDerWaalsContact C-N 3.29Å; R64-H66 VanDerWaalsContact CZ-NE2 3.28Å; R64-H66 PolarHBondContact NE-NE2 3Å; R64-H66 PolarHBondContact O-N 2.82Å
67T92.1Very high93.9Very high58 Ų5857.1 Ų57.136%0.35632%0.319SS..BIsolated β-bridgetrans-136.474175580000109.3R64R64-T67 PolarHBondContact N-O 3.4Å; R64-T67 PolarHBondContact NE-OG1 2.73Å; R64-T67 VanDerWaalsContact NE-OG1 3.15Å; R64-T67 PolarHBondContact NH2-OG1 2.99Å; R64-T67 CarbonylContact O-C 3.55Å; R64-T67 PolarHBondContact O-N 3.14Å; R64-T67 VanDerWaalsContact O-O 3.09Å
68P94.1Very high93.7Very high42 Ų4258.9 Ų58.927%0.27334%0.335SS..PPolyproline II helixtrans-72.2141.5-174.629.8-35.3000110.9V2 R64V2-P68 HydrophobicContact CG2-CB 3.77Å; V2-P68 HydrophobicContact CG2-CG 3.52Å; R64-P68 WeakPolarHBondContact O-CA 3.21Å; R64-P68 VanDerWaalsContact O-N 3.07Å
69A95.2Very high93.6Very high17 Ų1762.8 Ų62.814%0.1437%0.368CS..PPolyproline II helixtrans-63.6141.2170.500000110.7M1 V2 L58 A63M1-A69 CarbonylContact C-O 2.97Å; M1-A69 VanDerWaalsContact CA-O 3.28Å; M1-A69 WeakPolarHBondContact CA-O 3.09Å; M1-A69 WeakPolarHBondContact CB-O 3.49Å; V2-A69 PolarHBondContact N-O 3.04Å; L58-A69 HydrophobicContact CD2-CB 3.38Å; A63-A69 HydrophobicContact CB-CB 3.68Å
70T95.3Very high93.6Very high70 Ų7065 Ų6543%0.42938%0.383SS..EExtended strand (participates in β ladder)trans-102.1131.4-179.2-620000110.9V2 R4V2-T70 CarbonylContact O-C 3.59Å; V2-T70 WeakPolarHBondContact O-CA 3.41Å; R4-T70 HydrophobicContact CG-CG2 3.98Å
71L96.9Very high93.7Very high0 Ų067.8 Ų67.80%039%0.386CS..EExtended strand (participates in β ladder)trans-115140.6171.6-59.7-177.2000109.8M1 V2 V3 R4 L41 K42 M47 L58M1-L71 HydrophobicContact SD-CD1 3.54Å; M1-L71 VanDerWaalsContact SD-CD1 3.54Å; M1-L71 HydrophobicContact SD-CG 4.47Å; V2-L71 PolarHBondContact O-N 3.3Å; V3-L71 CarbonylContact C-O 3.55Å; V3-L71 WeakPolarHBondContact CA-O 3.46Å; V3-L71 HydrophobicContact CG2-CB 4.39Å; R4-L71 PolarHBondContact N-O 3.24Å; L41-L71 CarbonylContact O-C 3.58Å; L41-L71 WeakPolarHBondContact O-CA 3.45Å; K42-L71 HydrophobicContact CB-CD2 3.97Å; K42-L71 HydrophobicContact CG-CD2 4.33Å; M47-L71 HydrophobicContact CE-CD1 4.29Å; M47-L71 HydrophobicContact CE-CD2 4.47Å; M47-L71 HydrophobicContact SD-CD1 4.15Å; M47-L71 HydrophobicContact SD-CD2 3.69Å; L58-L71 HydrophobicContact CD1-CD1 4.24Å; L58-L71 HydrophobicContact CD1-CD2 4Å; L58-L71 HydrophobicContact CD2-CD2 4.28Å
72G97.5Very high93.9Very high6 Ų667.4 Ų67.46%0.06238%0.382CS..EExtended strand (participates in β ladder)trans-82.6142.2167.800000110.7L40 L41L40-G72 CarbonylContact C-O 3.45Å; L40-G72 WeakPolarHBondContact CA-O 3.43Å; L41-G72 PolarHBondContact N-O 2.99Å; L41-G72 PolarHBondContact O-N 2.98Å
73L97.8Very high94Very high3 Ų367.9 Ų67.92%0.01638%0.38CS..EExtended strand (participates in β ladder)trans-120.8124.7171.7171.369.1000109.3V3 R4 R5 I27 L31 Q38 L40 L75V3-L73 HydrophobicContact CG1-CB 3.53Å; V3-L73 HydrophobicContact CG1-CD2 4.06Å; V3-L73 HydrophobicContact CG1-CG 4.33Å; R4-L73 PolarHBondContact O-N 2.91Å; R5-L73 HydrophobicContact CB-CB 4.17Å; R5-L73 HydrophobicContact CB-CD2 4.41Å; R5-L73 HydrophobicContact CB-CG 4.46Å; R5-L73 WeakPolarHBondContact CB-O 3.49Å; R5-L73 WeakPolarHBondContact CG-O 3.46Å; I27-L73 HydrophobicContact CD1-CD1 4.45Å; I27-L73 HydrophobicContact CG2-CD2 3.96Å; L31-L73 HydrophobicContact CD1-CD2 3.61Å; Q38-L73 HydrophobicContact CB-CD1 4.04Å; Q38-L73 HydrophobicContact CG-CD1 4.23Å; L40-L73 HydrophobicContact CD2-CB 4.25Å; L40-L73 HydrophobicContact CD2-CD1 3.92Å; L73-L75 HydrophobicContact CD1-CD2 3.83Å; L73-L75 HydrophobicContact CD2-CD2 4.06Å; L73-L75 HydrophobicContact CG-CD2 3.92Å
74C97.2Very high94.1Very high1 Ų168.4 Ų68.41%0.00738%0.377CS..EExtended strand (participates in β ladder)trans-113.3131.9168.9-69.70000108.9M39 L41 E84 L86M39-C74 HydrophobicContact CB-CB 4.14Å; M39-C74 HydrophobicContact CE-CB 3.44Å; M39-C74 VanDerWaalsContact CE-CB 3.44Å; M39-C74 PolarHBondContact N-O 3.37Å; M39-C74 PolarHBondContact O-N 3.48Å; L41-C74 HydrophobicContact CD1-CB 4.29Å; C74-E84 WeakPolarHBondContact CA-OE1 3.31Å; C74-E84 HydrophobicContact CB-CG 3.86Å; C74-E84 WeakPolarHBondContact CB-O 3.27Å; C74-E84 PolarHBondContact SG-O 3.47Å; C74-L86 VanDerWaalsContact SG-CA 3.5Å
75L96.9Very high94.2Very high19 Ų1968.5 Ų68.510%0.09939%0.391CS..EExtended strand (participates in β ladder)trans-99.2147174.2-56.7-175.5000111.2V33 D37 Q38 L73 E84V33-L75 HydrophobicContact CB-CD2 4.47Å; V33-L75 HydrophobicContact CG1-CD2 4.11Å; V33-L75 HydrophobicContact CG2-CD1 4.12Å; D37-L75 CarbonylContact O-C 3.57Å; D37-L75 WeakPolarHBondContact O-CA 3.4Å; Q38-L75 HydrophobicContact CG-CD2 4Å; L73-L75 HydrophobicContact CD1-CD2 3.83Å; L73-L75 HydrophobicContact CD2-CD2 4.06Å; L73-L75 HydrophobicContact CG-CD2 3.92Å; L75-E84 PolarHBondContact N-OE1 2.9Å; L75-E84 PolarHBondContact O-N 2.87Å
76R96.4Very high94.5Very high86 Ų8666 Ų6633%0.32536%0.363SS..BIsolated β-bridgetrans-72.9129.9169-165.7-174.2-58.5-94.62109.7E36 D37 E81 F83E36-R76 PolarHBondContact O-NH2 3.35Å; E36-R76 VanDerWaalsContact O-NH2 3.1Å; D37-R76 HydrophobicContact CB-CB 3.94Å; D37-R76 PolarHBondContact O-N 3.03Å; D37-R76 VanDerWaalsContact OD1-CD 3.27Å; D37-R76 WeakPolarHBondContact OD1-CD 3.5Å; D37-R76 IonicContact OD1-NE 3.43Å; D37-R76 PolarHBondContact OD1-NE 3.29Å; R76-E81 WeakPolarHBondContact CG-O 3.28Å; R76-E81 PolarHBondContact NH1-O 2.74Å; R76-F83 HydrophobicContact CB-CD1 4.05Å; R76-F83 HydrophobicContact CB-CE1 3.92Å; R76-F83 HydrophobicContact CB-CZ 4.43Å; R76-F83 VanDerWaalsContact NH2-CE2 3.28Å; R76-F83 VanDerWaalsContact NH2-CZ 3.27Å
77D93Very high94.6Very high70 Ų7063.1 Ų63.137%0.37435%0.352SS..PPolyproline II helixtrans-78.2119.9172-177.4-22.1000109A79 T80 E81 K82D77-A79 PolarHBondContact O-N 2.78Å; D77-A79 WeakPolarHBondContact OD1-CB 3.34Å; D77-A79 PolarHBondContact OD1-N 3.14Å; D77-T80 WeakPolarHBondContact CB-OG1 3.44Å; D77-T80 PolarHBondContact O-N 3.43Å; D77-E81 WeakPolarHBondContact O-CA 3.5Å; D77-E81 PolarHBondContact O-N 2.93Å; D77-K82 PolarHBondContact N-O 2.65Å
78P90.2Very high94.8Very high126 Ų12662.7 Ų62.782%0.81835%0.347SS*.THydrogen-bonded Turntrans-64.2-20.3-178.827-35.5000113.7
79A92.2Very high94.9Very high89 Ų8962.9 Ų62.974%0.73635%0.348SS*.THydrogen-bonded Turntrans-85.5-31.6179.600000113.1D77D77-A79 PolarHBondContact O-N 2.78Å; D77-A79 WeakPolarHBondContact OD1-CB 3.34Å; D77-A79 PolarHBondContact OD1-N 3.14Å
80T93.6Very high94.9Very high78 Ų7867.3 Ų67.348%0.47938%0.375SS..THydrogen-bonded Turntrans-108.1-9.7-176.868.90000113.6D77 K82D77-T80 WeakPolarHBondContact CB-OG1 3.44Å; D77-T80 PolarHBondContact O-N 3.43Å; T80-K82 WeakPolarHBondContact O-CG 3.24Å; T80-K82 PolarHBondContact O-N 3.16Å; T80-K82 PolarHBondContact OG1-N 2.82Å
81E91.6Very high94.9Very high152 Ų15270.5 Ų70.571%0.7138%0.38SS*.  trans56.99.4-172.4-59-170.4151.600114.7R76 D77R76-E81 WeakPolarHBondContact CG-O 3.28Å; R76-E81 PolarHBondContact NH1-O 2.74Å; D77-E81 WeakPolarHBondContact O-CA 3.5Å; D77-E81 PolarHBondContact O-N 2.93Å
82K94.8Very high94.9Very high152 Ų15275.9 Ų75.966%0.66142%0.418SS*.PPolyproline II helixtrans-98.1147.5179.9-68.2175.6-175.9-177.50110.6D77 T80D77-K82 PolarHBondContact N-O 2.65Å; T80-K82 WeakPolarHBondContact O-CG 3.24Å; T80-K82 PolarHBondContact O-N 3.16Å; T80-K82 PolarHBondContact OG1-N 2.82Å
83F95.1Very high94.8Very high65 Ų6582.7 Ų82.729%0.28545%0.453SS..BIsolated β-bridgetrans-70140.1168.4-73.8-76.8000110.6M39 R76M39-F83 HydrophobicContact CB-CD1 3.69Å; M39-F83 HydrophobicContact CB-CE1 3.69Å; M39-F83 HydrophobicContact CB-CG 4.2Å; M39-F83 HydrophobicContact CB-CZ 4.19Å; M39-F83 HydrophobicContact CE-CB 3.88Å; M39-F83 HydrophobicContact CE-CG 4.21Å; M39-F83 HydrophobicContact SD-CG 4.4Å; R76-F83 HydrophobicContact CB-CD1 4.05Å; R76-F83 HydrophobicContact CB-CE1 3.92Å; R76-F83 HydrophobicContact CB-CZ 4.43Å; R76-F83 VanDerWaalsContact NH2-CE2 3.28Å; R76-F83 VanDerWaalsContact NH2-CZ 3.27Å
84E94.2Very high94.5Very high36 Ų3687.9 Ų87.917%0.16849%0.487CS..PPolyproline II helixtrans-62.1149.9169.473.2-169.3165.200110.7R5 K6 C74 L75R5-E84 VanDerWaalsContact CD-OE1 3.28Å; R5-E84 WeakPolarHBondContact CD-OE1 3.44Å; R5-E84 IonicContact CZ-OE1 3.64Å; R5-E84 IonicContact CZ-OE2 2.74Å; R5-E84 VanDerWaalsContact NE-CD 3.32Å; R5-E84 IonicContact NE-OE1 3.21Å; R5-E84 PolarHBondContact NE-OE1 3.02Å; R5-E84 IonicContact NE-OE2 3.57Å; R5-E84 PolarHBondContact NE-OE2 3.13Å; R5-E84 VanDerWaalsContact NE-OE2 3.16Å; R5-E84 IonicContact NH2-OE1 2.65Å; R5-E84 IonicContact NH2-OE2 3.16Å; R5-E84 PolarHBondContact NH2-OE2 3.27Å; K6-E84 WeakPolarHBondContact CE-OE2 3.47Å; K6-E84 IonicContact NZ-OE2 3.04Å; K6-E84 PolarHBondContact NZ-OE2 3.39Å; C74-E84 WeakPolarHBondContact CA-OE1 3.31Å; C74-E84 HydrophobicContact CB-CG 3.86Å; C74-E84 WeakPolarHBondContact CB-O 3.27Å; C74-E84 PolarHBondContact SG-O 3.47Å; L75-E84 PolarHBondContact N-OE1 2.9Å; L75-E84 PolarHBondContact O-N 2.87Å
85T93.1Very high94.3Very high121 Ų12193.7 Ų93.774%0.74252%0.524SS*.PPolyproline II helixtrans-65.3146.3169.353.40000109.9D87T85-D87 PolarHBondContact O-N 2.98Å
86L94.9Very high94Very high56 Ų56100.3 Ų100.329%0.29356%0.555SS.*  trans-60.4113.3176.6-176.769.2000110.5L41 C74 I88L41-L86 HydrophobicContact CD1-CD1 4.21Å; C74-L86 VanDerWaalsContact SG-CA 3.5Å; L86-I88 HydrophobicContact CD1-CD1 4.05Å; L86-I88 HydrophobicContact CD1-CG1 4.09Å; L86-I88 HydrophobicContact CD2-CD1 4.44Å; L86-I88 HydrophobicContact CG-CD1 4.38Å; L86-I88 HydrophobicContact CG-CG1 4.39Å
87D94.6Very high93.8Very high78 Ų78100.2 Ų100.242%0.41756%0.56SS.*  trans-125.3119.6174.9176.715.1000108.6K6 T85K6-D87 HydrophobicContact CG-CB 4.46Å; K6-D87 PolarHBondContact N-O 2.73Å; T85-D87 PolarHBondContact O-N 2.98Å
88I95.7Very high93.6Very high50 Ų50100.1 Ų100.126%0.25656%0.564SS.*BIsolated β-bridgetrans-130111.4176.5-61.9175.7000107.1R4 L86 P90R4-I88 HydrophobicContact CB-CD1 4.12Å; R4-I88 HydrophobicContact CB-CG1 4.21Å; R4-I88 HydrophobicContact CB-CG2 4Å; L86-I88 HydrophobicContact CD1-CD1 4.05Å; L86-I88 HydrophobicContact CD1-CG1 4.09Å; L86-I88 HydrophobicContact CD2-CD1 4.44Å; L86-I88 HydrophobicContact CG-CD1 4.38Å; L86-I88 HydrophobicContact CG-CG1 4.39Å; I88-P90 WeakPolarHBondContact O-CD 3.47Å
89T96Very high93.4Very high46 Ų46101.3 Ų101.328%0.28256%0.558SS.*PPolyproline II helixtrans-69.1125176.3-52.80000109.3R4 K6 K7R4-T89 PolarHBondContact NH2-O 2.93Å; K6-T89 WeakPolarHBondContact O-CB 3.41Å; K6-T89 PolarHBondContact O-N 2.83Å; K6-T89 PolarHBondContact O-OG1 3.36Å; K7-T89 HydrophobicContact CG-CG2 4.1Å
90P96Very high93.3Very high110 Ų110103.7 Ų103.771%0.71456%0.563SS**PPolyproline II helixtrans-57.1149.2173.9-24.134.5000111.5I88I88-P90 WeakPolarHBondContact O-CD 3.47Å
91Y95.3Very high93Very high136 Ų136105.7 Ų105.753%0.53357%0.568SS.*PPolyproline II helixtrans-66.7161.8168.1-60.4-48.9000110.2R4 T9R4-Y91 PolarHBondContact NE-OH 3.03Å; R4-Y91 VanDerWaalsContact NH2-CE1 3.25Å; T9-Y91 WeakPolarHBondContact CG2-OH 3.33Å; T9-Y91 PolarHBondContact OG1-OH 3.38Å
92S96.2Very high92.5Very high114 Ų114103.4 Ų103.480%0.79755%0.554SS**PPolyproline II helixtrans-59.9144.2172.852.80000110.9
93N95.1Very high91.5Very high148 Ų148100.5 Ų100.579%0.79155%0.552SS**PPolyproline II helixtrans-71.9144170.1-64.4-43.9000110
94P93.4Very high89.9Confident113 Ų113105.8 Ų105.873%0.73458%0.578SS**PPolyproline II helixtrans-62.5150.8171.628-34000110.5
95P92.5Very high88.4Confident122 Ų122112.9 Ų112.979%0.79261%0.611SS**PPolyproline II helixtrans-64.2165.2170.930.2-35.4000110.9L97P95-L97 PolarHBondContact O-N 3.27Å
96E90.9Very high86.7Confident158 Ų158114.2 Ų114.274%0.73861%0.614SS**PPolyproline II helixtrans-59.5133.1174.8-166.7-176.9159.800110.5P98 R102E96-P98 WeakPolarHBondContact O-CD 3.37Å; E96-R102 IonicContact OE1-CZ 3.74Å; E96-R102 IonicContact OE1-NH2 2.73Å; E96-R102 PolarHBondContact OE1-NH2 3.07Å
97L90.4Very high84.8Confident85 Ų85116.7 Ų116.745%0.44563%0.626SS.*PPolyproline II helixtrans-62.1123.1-179.6-172.469000109.4P95 M101 R102P95-L97 PolarHBondContact O-N 3.27Å; L97-M101 HydrophobicContact CD1-CB 3.71Å; L97-M101 HydrophobicContact CD1-CE 3.94Å; L97-M101 HydrophobicContact CD1-SD 4.06Å; L97-M101 HydrophobicContact CD2-CB 4.3Å; L97-M101 HydrophobicContact CG-CB 3.83Å; L97-R102 HydrophobicContact CD2-CG 4.17Å; L97-R102 HydrophobicContact CG-CG 4.47Å; L97-R102 PolarHBondContact O-NE 3.28Å; L97-R102 PolarHBondContact O-NH2 3.21Å
98P90.4Very high83Confident68 Ų68117.8 Ų117.844%0.44264%0.638SS.*PPolyproline II helixtrans-56.1147.9178.1-25.734.5000112.2E96 V100 M101 R102E96-P98 WeakPolarHBondContact O-CD 3.37Å; P98-V100 VanDerWaalsContact C-N 3.25Å; P98-V100 HydrophobicContact CB-CG2 4.15Å; P98-V100 PolarHBondContact O-N 3Å; P98-M101 HydrophobicContact CG-SD 4.12Å; P98-M101 WeakPolarHBondContact O-CA 3.16Å; P98-M101 WeakPolarHBondContact O-CB 3.16Å; P98-M101 PolarHBondContact O-N 3.46Å; P98-R102 PolarHBondContact O-N 3.1Å
99E86.3Confident81.1Confident150 Ų150121.4 Ų121.470%0.70167%0.665SS**G310 helixtrans-56.8-37.9-176.5-166.5173.4-174.400113.1M101 R102E99-M101 PolarHBondContact O-N 3.29Å; E99-R102 WeakPolarHBondContact O-CB 3.05Å; E99-R102 PolarHBondContact O-N 3.02Å
100V89.9Confident79.1Confident140 Ų140127.4 Ų127.485%0.84869%0.69SS**G310 helixtrans-63.7-19.7176.5-60.80000114.1P98P98-V100 VanDerWaalsContact C-N 3.25Å; P98-V100 HydrophobicContact CB-CG2 4.15Å; P98-V100 PolarHBondContact O-N 3Å
101M87Confident77Confident119 Ų119127.8 Ų127.859%0.58670%0.695SS**G310 helixtrans-97.9-6.7176.5-62.9-179.370.300112.4L97 P98 E99 S103L97-M101 HydrophobicContact CD1-CB 3.71Å; L97-M101 HydrophobicContact CD1-CE 3.94Å; L97-M101 HydrophobicContact CD1-SD 4.06Å; L97-M101 HydrophobicContact CD2-CB 4.3Å; L97-M101 HydrophobicContact CG-CB 3.83Å; P98-M101 HydrophobicContact CG-SD 4.12Å; P98-M101 WeakPolarHBondContact O-CA 3.16Å; P98-M101 WeakPolarHBondContact O-CB 3.16Å; P98-M101 PolarHBondContact O-N 3.46Å; E99-M101 PolarHBondContact O-N 3.29Å; M101-S103 PolarHBondContact O-N 2.84Å
102R81.3Confident74.7Confident105 Ų105125.3 Ų125.340%0.39670%0.702SS.*SBendtrans-76.4107.8174.2-62.1176.4-168.5140.2-2.5107.4E96 L97 P98 E99 Q104E96-R102 IonicContact OE1-CZ 3.74Å; E96-R102 IonicContact OE1-NH2 2.73Å; E96-R102 PolarHBondContact OE1-NH2 3.07Å; L97-R102 HydrophobicContact CD2-CG 4.17Å; L97-R102 HydrophobicContact CG-CG 4.47Å; L97-R102 PolarHBondContact O-NE 3.28Å; L97-R102 PolarHBondContact O-NH2 3.21Å; P98-R102 PolarHBondContact O-N 3.1Å; E99-R102 WeakPolarHBondContact O-CB 3.05Å; E99-R102 PolarHBondContact O-N 3.02Å; R102-Q104 PolarHBondContact O-N 3.21Å
103S72.7Confident72.4Confident91 Ų91125.6 Ų125.664%0.63670%0.702SS**  trans-55.3135.9170.6-60.90000109.4M101 E105 N106M101-S103 PolarHBondContact O-N 2.84Å; S103-E105 PolarHBondContact O-N 2.86Å; S103-N106 PolarHBondContact O-N 3.32Å; S103-N106 VanDerWaalsContact O-N 3.16Å
104Q62.7Low69.8Low175 Ų175127.8 Ų127.882%0.81871%0.707SS**G310 helixtrans-53.1-19.3-179.8-81.1177.7-8.900113.8R102 N106 L107R102-Q104 PolarHBondContact O-N 3.21Å; Q104-N106 PolarHBondContact O-N 3.38Å; Q104-L107 PolarHBondContact O-N 2.79Å
105E61.4Low67.8Low185 Ų185129.8 Ų129.886%0.86471%0.711SS**G310 helixtrans-70.5-8.6-178.5-153.4157.5-153.800114.3S103S103-E105 PolarHBondContact O-N 2.86Å
106N58.1Low65.8Low150 Ų150130.7 Ų130.780%0.80271%0.714SS**G310 helixtrans-112.415.5176.9-99-2.4000114.6S103 Q104S103-N106 PolarHBondContact O-N 3.32Å; S103-N106 VanDerWaalsContact O-N 3.16Å; Q104-N106 PolarHBondContact O-N 3.38Å
107L55.3Low63.8Low107 Ų107126.4 Ų126.456%0.5671%0.712SS**SBendtrans-74.2126169.1-73.9162.4000109.1Q104Q104-L107 PolarHBondContact O-N 2.79Å
108P57.1Low61.9Low102 Ų102132.1 Ų132.166%0.66274%0.736SS**  trans-55.9142.7165.823.7-30000108.1Q110P108-Q110 PolarHBondContact O-N 3.19Å
109P54.3Low60.2Low125 Ų125133.6 Ų133.681%0.81276%0.755SS**  trans-54.1114.5-177.719.9-30.1000108.7S111P109-S111 PolarHBondContact O-N 2.83Å
110Q55.9Low58Low173 Ų173135.7 Ų135.781%0.80876%0.761SS**  trans-62.4104.6169.1-76.6-176.7-5.300106.1P108 A112P108-Q110 PolarHBondContact O-N 3.19Å; Q110-A112 VanDerWaalsContact C-N 3.35Å; Q110-A112 PolarHBondContact O-N 3.16Å
111S51.1Low57.2Low118 Ų118138 Ų13883%0.82578%0.779SS**  trans-56.7102.1164.621.50000107.5P109P109-S111 PolarHBondContact O-N 2.83Å
112A46.7Very low55.7Low83 Ų83138.9 Ų138.969%0.68679%0.788SS**  trans-60.1138.4173.200000108.8Q110 E114Q110-A112 VanDerWaalsContact C-N 3.35Å; Q110-A112 PolarHBondContact O-N 3.16Å; A112-E114 PolarHBondContact O-N 2.82Å
113P47.5Very low54.4Low121 Ų121140.7 Ų140.779%0.78681%0.809SS**  trans-69.3117.2173.37.53.6000109.1L115P113-L115 PolarHBondContact O-N 3.07Å
114E41.3Very low53.4Low193 Ų193143.4 Ų143.490%0.90282%0.819SS**  trans-62.5111.5161.9-79.8-179.8101.100108.4A112A112-E114 PolarHBondContact O-N 2.82Å
115L51.7Low52.8Low155 Ų155141.6 Ų141.681%0.81282%0.819SS**  trans-162.2136.1162.1-107.1148.2000110.9P113P113-L115 PolarHBondContact O-N 3.07Å
116V50.2Low52.3Low142 Ų142138.9 Ų138.986%0.86182%0.816SS**  trans98.8103.8161.6-168.10000116.6
117G49Very low51.9Low68 Ų68138.1 Ų138.170%0.70182%0.817SS**  119.877.9122.400000115.9A119G117-A119 PolarHBondContact O-N 3.03Å
118Q49.2Very low51.7Low204 Ų204140.4 Ų140.495%0.95384%0.835SS**  trans-65.1113152.5-82.3-177.8-10.900108.7
119A56.5Low51.3Low100 Ų100143.3 Ų143.383%0.82685%0.848SS**  trans-78.2141168.700000110.5G117G117-A119 PolarHBondContact O-N 3.03Å
120K40Very low51Low194 Ų194144.8 Ų144.884%0.84385%0.851SS**  trans-59.2162.8175.1-141.6-177179.3-173.80112.5
121P73Confident50.6Low187 Ų187142.3 Ų142.3100%1.21486%0.855SS**  trans-71.30145.131.8-32.4000111.9

Retrieved 121 of 121 residues in 181.5 ms (Link to these results)

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