A0A077ZF43_TRITR Loading...

Large ribosomal subunit protein uL6

AlphaFold DB , UniProt , Accession A0A077ZF43, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 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
1M36.7Very low74.5Confident205 Ų205106.2 Ų106.2100%1.0152%0.517SS*.  099.40-95.817816700109.3I3M1-I3 PolarHBondContact O-N 3.46Å
2N40.8Very low76Confident133 Ų133102.5 Ų102.571%0.71152%0.517SS*.  trans-78.159.8-170.9-76.1-19.5000113.4F4 L5N2-F4 PolarHBondContact O-N 2.8Å; N2-L5 HydrophobicContact CB-CD1 4.1Å; N2-L5 HydrophobicContact CB-CG 4.37Å
3I52.3Low77.4Confident119 Ų11999.7 Ų99.761%0.6150%0.496SS*.G310 helixtrans-66.8-14.3173.8-62.4163.4000111M1 L5M1-I3 PolarHBondContact O-N 3.46Å; I3-L5 VanDerWaalsContact C-N 3.32Å; I3-L5 PolarHBondContact O-N 2.89Å
4F56.8Low78.7Confident157 Ų15799 Ų9969%0.68949%0.489SS*.G310 helixtrans-78.73.9-173.8-57.3-71.5000116.5N2 V6 H41N2-F4 PolarHBondContact O-N 2.8Å; F4-V6 VanDerWaalsContact C-N 3.29Å; F4-V6 PolarHBondContact O-N 2.87Å; F4-H41 AromaticContact CE1-CE1 3.92Å
5L74.6Confident79.9Confident101 Ų10192.5 Ų92.553%0.52946%0.457SS..G310 helixtrans-80.2-1.5-171.8-71.9168.4000115.2N2 I3 G19 P20N2-L5 HydrophobicContact CB-CD1 4.1Å; N2-L5 HydrophobicContact CB-CG 4.37Å; I3-L5 VanDerWaalsContact C-N 3.32Å; I3-L5 PolarHBondContact O-N 2.89Å; L5-G19 WeakPolarHBondContact O-CA 3.41Å; L5-P20 HydrophobicContact CB-CG 4.39Å; L5-P20 HydrophobicContact CD1-CB 4.43Å; L5-P20 HydrophobicContact CD1-CG 4.42Å
6V89.3Confident80.9Confident37 Ų3788.3 Ų88.322%0.22444%0.438CS..  trans-109115.6-178.1-172.80000111F4 V8 V17 T18 I69 V72 R73F4-V6 VanDerWaalsContact C-N 3.29Å; F4-V6 PolarHBondContact O-N 2.87Å; V6-V8 HydrophobicContact CG1-CG2 4.34Å; V6-V17 HydrophobicContact CG1-CG1 3.5Å; V6-V17 VanDerWaalsContact CG1-CG1 3.5Å; V6-T18 CarbonylContact C-O 3.55Å; V6-T18 VanDerWaalsContact CA-O 3.3Å; V6-T18 WeakPolarHBondContact CA-O 3.5Å; V6-I69 HydrophobicContact CG1-CG1 4.27Å; V6-I69 HydrophobicContact CG1-CG2 4.21Å; V6-I69 HydrophobicContact CG2-CG2 4.48Å; V6-V72 HydrophobicContact CG1-CG2 3.95Å; V6-V72 HydrophobicContact CG2-CG2 4.12Å; V6-R73 HydrophobicContact CG2-CB 4.2Å
7D92.6Very high81.8Confident58 Ų5883.1 Ų83.131%0.3141%0.412SS..EExtended strand (participates in β ladder)trans-99.9139168.1-176.642.2000110.7K9 V17 T18 K37D7-K9 WeakPolarHBondContact OD2-CE 3.04Å; D7-V17 WeakPolarHBondContact O-CA 3.44Å; D7-T18 PolarHBondContact N-O 3.07Å; D7-T18 PolarHBondContact O-N 2.82Å; D7-T18 PolarHBondContact O-OG1 3.19Å; D7-K37 IonicContact OD1-NZ 2.74Å; D7-K37 PolarHBondContact OD1-NZ 2.76Å
8V94.2Very high82.6Confident12 Ų1281.1 Ų81.17%0.07341%0.405CS..EExtended strand (participates in β ladder)trans-122.4122.5178.4-1750000108.5V6 I10 V15 T16 V17 K37 I43 I69V6-V8 HydrophobicContact CG1-CG2 4.34Å; V8-I10 HydrophobicContact CG1-CD1 4.45Å; V8-I10 HydrophobicContact CG1-CG1 4.19Å; V8-V15 HydrophobicContact CG1-CG1 3.91Å; V8-T16 CarbonylContact C-O 3.44Å; V8-T16 WeakPolarHBondContact CA-O 3.33Å; V8-V17 HydrophobicContact CG1-CG2 4.19Å; V8-V17 HydrophobicContact CG2-CG1 4.25Å; V8-V17 HydrophobicContact CG2-CG2 4.18Å; V8-K37 WeakPolarHBondContact O-CD 3.39Å; V8-K37 WeakPolarHBondContact O-CE 3.39Å; V8-K37 PolarHBondContact O-NZ 2.63Å; V8-I43 HydrophobicContact CB-CD1 4.17Å; V8-I43 HydrophobicContact CG1-CD1 3.75Å; V8-I43 HydrophobicContact CG2-CD1 4.2Å; V8-I69 HydrophobicContact CG2-CD1 4.26Å; V8-I69 HydrophobicContact CG2-CG1 4.24Å
9K94.5Very high83.1Confident132 Ų13277.8 Ų77.857%0.57439%0.394SS*.EExtended strand (participates in β ladder)trans-111.5131.6174.9-63.4-176.7-178.4179.20109.2D7 T16D7-K9 WeakPolarHBondContact OD2-CE 3.04Å; K9-T16 PolarHBondContact N-O 3.3Å; K9-T16 PolarHBondContact O-N 2.82Å
10I94.6Very high83.6Confident41 Ų4177.8 Ų77.821%0.2140%0.399CS..EExtended strand (participates in β ladder)trans-123.2118.6-179.6-59.5160.9000107.7V8 K14 V15 I35 K37 I43V8-I10 HydrophobicContact CG1-CD1 4.45Å; V8-I10 HydrophobicContact CG1-CG1 4.19Å; I10-K14 WeakPolarHBondContact CA-O 3.4Å; I10-V15 HydrophobicContact CG1-CG2 4.29Å; I10-I35 HydrophobicContact CD1-CG2 3.74Å; I10-I35 HydrophobicContact CG1-CG2 4.29Å; I10-I35 HydrophobicContact CG2-CB 4.07Å; I10-I35 HydrophobicContact CG2-CG2 3.99Å; I10-I35 WeakPolarHBondContact CG2-O 3.49Å; I10-K37 HydrophobicContact CD1-CB 4.11Å; I10-I43 HydrophobicContact CD1-CG1 4.37Å; I10-I43 HydrophobicContact CD1-CG2 3.88Å
11K93.6Very high84Confident173 Ų17378.3 Ų78.375%0.75240%0.397SS*.EExtended strand (participates in β ladder)trans-135.5115177.3-173.5176.5-177176.90110.1R13 K14K11-R13 VanDerWaalsContact C-N 3.27Å; K11-R13 PolarHBondContact O-N 2.97Å; K11-K14 PolarHBondContact N-O 3.46Å; K11-K14 VanDerWaalsContact O-CB 3.32Å; K11-K14 WeakPolarHBondContact O-CB 3.21Å; K11-K14 PolarHBondContact O-N 3.26Å
12A91.7Very high86.7Confident62 Ų6270.1 Ų70.151%0.51236%0.364SS..THydrogen-bonded Turntrans47.948.9179.400000112.9K14 R29A12-K14 PolarHBondContact O-N 3.31Å; A12-K14 VanDerWaalsContact O-N 3.11Å; A12-R29 WeakPolarHBondContact O-CG 3.48Å; A12-R29 PolarHBondContact O-NE 3.46Å
13R94.1Very high89.3Confident66 Ų6669.4 Ų69.425%0.24936%0.355CS..THydrogen-bonded Turntrans62.79.1-178-53.4178.5-67.1-142.42.2115.6K11 F28 R29 L33 I35K11-R13 VanDerWaalsContact C-N 3.27Å; K11-R13 PolarHBondContact O-N 2.97Å; R13-F28 HydrophobicContact CB-CB 4.41Å; R13-F28 WeakPolarHBondContact O-CB 3.38Å; R13-F28 PolarHBondContact O-N 3.14Å; R13-R29 HydrophobicContact CB-CG 4.48Å; R13-R29 PolarHBondContact NH2-O 3.18Å; R13-L33 WeakPolarHBondContact CD-O 3.24Å; R13-L33 PolarHBondContact NH1-O 3.38Å; R13-I35 HydrophobicContact CB-CD1 4.46Å
14K95.9Very high91.4Very high90 Ų9064.9 Ų64.939%0.39133%0.332SS..EExtended strand (participates in β ladder)trans-84.9125.6161-62.3-176.9171.1-172.30107.8I10 K11 A12 R26 N27I10-K14 WeakPolarHBondContact CA-O 3.4Å; K11-K14 PolarHBondContact N-O 3.46Å; K11-K14 VanDerWaalsContact O-CB 3.32Å; K11-K14 WeakPolarHBondContact O-CB 3.21Å; K11-K14 PolarHBondContact O-N 3.26Å; A12-K14 PolarHBondContact O-N 3.31Å; A12-K14 VanDerWaalsContact O-N 3.11Å; K14-R26 WeakPolarHBondContact CA-O 3.18Å; K14-N27 HydrophobicContact CG-CB 4.34Å
15V96.3Very high93.3Very high1 Ų163.4 Ų63.41%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-108.3127178.7-178.10000107.5V8 I10 V17 E25 R26 F28 I35 I65V8-V15 HydrophobicContact CG1-CG1 3.91Å; I10-V15 HydrophobicContact CG1-CG2 4.29Å; V15-V17 HydrophobicContact CG1-CG2 3.96Å; V15-E25 WeakPolarHBondContact O-CA 3.36Å; V15-R26 PolarHBondContact N-O 2.69Å; V15-R26 PolarHBondContact O-N 3.14Å; V15-F28 HydrophobicContact CB-CD2 4.42Å; V15-F28 HydrophobicContact CB-CE2 4.13Å; V15-F28 HydrophobicContact CG2-CD2 3.79Å; V15-F28 HydrophobicContact CG2-CE2 3.81Å; V15-I35 HydrophobicContact CG2-CD1 4.2Å; V15-I35 HydrophobicContact CG2-CG2 4.46Å; V15-I65 HydrophobicContact CG1-CG1 4.31Å; V15-I65 HydrophobicContact CG2-CD1 4.16Å; V15-I65 HydrophobicContact CG2-CG1 4.39Å
16T96.6Very high94.3Very high26 Ų2661.4 Ų61.416%0.1631%0.312CS..EExtended strand (participates in β ladder)trans-119123.6174.7-60.20000107.3V8 K9 T18 K23 L24 E25V8-T16 CarbonylContact C-O 3.44Å; V8-T16 WeakPolarHBondContact CA-O 3.33Å; K9-T16 PolarHBondContact N-O 3.3Å; K9-T16 PolarHBondContact O-N 2.82Å; T16-T18 HydrophobicContact CG2-CG2 4.49Å; T16-K23 HydrophobicContact CG2-CD 4.19Å; T16-K23 HydrophobicContact CG2-CG 4.07Å; T16-L24 CarbonylContact C-O 3.51Å; T16-L24 WeakPolarHBondContact CA-O 3.42Å; T16-E25 HydrophobicContact CG2-CG 3.95Å
17V96Very high94.7Very high0 Ų063.3 Ų63.30%032%0.321CS..EExtended strand (participates in β ladder)trans-116.8124.5178.9-176.30000107.6V6 D7 V8 V15 K23 L24 M68 I69 V72V6-V17 HydrophobicContact CG1-CG1 3.5Å; V6-V17 VanDerWaalsContact CG1-CG1 3.5Å; D7-V17 WeakPolarHBondContact O-CA 3.44Å; V8-V17 HydrophobicContact CG1-CG2 4.19Å; V8-V17 HydrophobicContact CG2-CG1 4.25Å; V8-V17 HydrophobicContact CG2-CG2 4.18Å; V15-V17 HydrophobicContact CG1-CG2 3.96Å; V17-K23 CarbonylContact O-C 3.59Å; V17-K23 WeakPolarHBondContact O-CA 3.38Å; V17-L24 PolarHBondContact N-O 2.88Å; V17-L24 PolarHBondContact O-N 2.86Å; V17-M68 HydrophobicContact CB-CB 4.23Å; V17-M68 HydrophobicContact CB-CE 4.33Å; V17-M68 HydrophobicContact CG2-CB 3.83Å; V17-M68 HydrophobicContact CG2-CE 3.89Å; V17-M68 HydrophobicContact CG2-SD 4.41Å; V17-I69 HydrophobicContact CG1-CG1 3.98Å; V17-I69 HydrophobicContact CG2-CG1 4.48Å; V17-V72 HydrophobicContact CG1-CG1 4.37Å; V17-V72 HydrophobicContact CG1-CG2 3.65Å
18T95.4Very high94.8Very high46 Ų4660.7 Ų60.728%0.28231%0.307SS..EExtended strand (participates in β ladder)trans-118.1131177.645.80000109V6 D7 T16 K23V6-T18 CarbonylContact C-O 3.55Å; V6-T18 VanDerWaalsContact CA-O 3.3Å; V6-T18 WeakPolarHBondContact CA-O 3.5Å; D7-T18 PolarHBondContact N-O 3.07Å; D7-T18 PolarHBondContact O-N 2.82Å; D7-T18 PolarHBondContact O-OG1 3.19Å; T16-T18 HydrophobicContact CG2-CG2 4.49Å; T18-K23 HydrophobicContact CG2-CB 4.01Å; T18-K23 HydrophobicContact CG2-CD 3.96Å; T18-K23 HydrophobicContact CG2-CG 3.66Å
19G92.9Very high94.8Very high19 Ų1965.9 Ų65.920%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-145.5-172.8178.200000111.9L5 R21 G22L5-G19 WeakPolarHBondContact O-CA 3.41Å; G19-R21 VanDerWaalsContact C-N 3.26Å; G19-R21 PolarHBondContact O-N 3.2Å; G19-G22 PolarHBondContact N-O 2.84Å; G19-G22 PolarHBondContact O-N 2.83Å; G19-G22 VanDerWaalsContact O-N 3.12Å; G19-G22 VanDerWaalsContact O-O 3.12Å
20P92.4Very high94.7Very high77 Ų7767 Ų6750%0.533%0.332SS..THydrogen-bonded Turntrans-63.4-30.4-173.924.8-33.5000113.3L5 V72L5-P20 HydrophobicContact CB-CG 4.39Å; L5-P20 HydrophobicContact CD1-CB 4.43Å; L5-P20 HydrophobicContact CD1-CG 4.42Å; P20-V72 VanDerWaalsContact CD-O 3.28Å; P20-V72 WeakPolarHBondContact CD-O 3.37Å
21R92.6Very high94.5Very high90 Ų9065.7 Ų65.734%0.3433%0.326SS..THydrogen-bonded Turntrans-86.9-6179.2-58.3-179.960.183.98114G19 V72 Q74 G75 N137 I175G19-R21 VanDerWaalsContact C-N 3.26Å; G19-R21 PolarHBondContact O-N 3.2Å; R21-V72 VanDerWaalsContact CB-O 3.27Å; R21-V72 WeakPolarHBondContact CB-O 3.29Å; R21-V72 WeakPolarHBondContact CG-O 3.3Å; R21-V72 PolarHBondContact N-O 3.21Å; R21-Q74 VanDerWaalsContact CD-C 3.48Å; R21-G75 VanDerWaalsContact CD-N 3.34Å; R21-N137 PolarHBondContact NE-OD1 3.3Å; R21-N137 PolarHBondContact O-ND2 3.31Å; R21-I175 VanDerWaalsContact NH2-CD1 3.29Å
22G93.2Very high94.4Very high32 Ų3265.6 Ų65.633%0.3332%0.323SS..EExtended strand (participates in β ladder)trans134.6-151-179.900000113.9G19G19-G22 PolarHBondContact N-O 2.84Å; G19-G22 PolarHBondContact O-N 2.83Å; G19-G22 VanDerWaalsContact O-N 3.12Å; G19-G22 VanDerWaalsContact O-O 3.12Å
23K95.3Very high94.4Very high118 Ų11862.9 Ų62.951%0.51330%0.3SS..EExtended strand (participates in β ladder)trans-130.5136.7-169.3-178.8-179.9178.9-155.60110.7T16 V17 T18 E25T16-K23 HydrophobicContact CG2-CD 4.19Å; T16-K23 HydrophobicContact CG2-CG 4.07Å; V17-K23 CarbonylContact O-C 3.59Å; V17-K23 WeakPolarHBondContact O-CA 3.38Å; T18-K23 HydrophobicContact CG2-CB 4.01Å; T18-K23 HydrophobicContact CG2-CD 3.96Å; T18-K23 HydrophobicContact CG2-CG 3.66Å; K23-E25 WeakPolarHBondContact CE-OE1 3.45Å; K23-E25 IonicContact NZ-OE1 2.99Å; K23-E25 PolarHBondContact NZ-OE1 2.99Å
24L96.8Very high94.3Very high25 Ų2562.5 Ų62.513%0.13130%0.302CS..EExtended strand (participates in β ladder)trans-122.3140.8171.8-67.2176.2000109.8T16 V17 M68 V72 N137 D138T16-L24 CarbonylContact C-O 3.51Å; T16-L24 WeakPolarHBondContact CA-O 3.42Å; V17-L24 PolarHBondContact N-O 2.88Å; V17-L24 PolarHBondContact O-N 2.86Å; L24-M68 HydrophobicContact CB-CB 4.5Å; L24-M68 HydrophobicContact CB-CE 3.69Å; L24-M68 HydrophobicContact CB-CG 4.39Å; L24-M68 HydrophobicContact CD1-CB 4.18Å; L24-M68 HydrophobicContact CD1-CG 4.29Å; L24-M68 WeakPolarHBondContact O-CE 3.23Å; L24-V72 HydrophobicContact CB-CG1 4.27Å; L24-V72 HydrophobicContact CD1-CG1 3.91Å; L24-V72 HydrophobicContact CG-CG1 3.8Å; L24-N137 HydrophobicContact CD1-CB 4.41Å; L24-N137 HydrophobicContact CD2-CB 4.31Å; L24-D138 HydrophobicContact CD2-CB 4.01Å
25E96.7Very high94.3Very high125 Ų12558.9 Ų58.958%0.58429%0.287SS*.EExtended strand (participates in β ladder)trans-127.5137.4177.1-65.5-165.1168.600110.7V15 T16 K23V15-E25 WeakPolarHBondContact O-CA 3.36Å; T16-E25 HydrophobicContact CG2-CG 3.95Å; K23-E25 WeakPolarHBondContact CE-OE1 3.45Å; K23-E25 IonicContact NZ-OE1 2.99Å; K23-E25 PolarHBondContact NZ-OE1 2.99Å
26R96.1Very high94.1Very high59 Ų5961.6 Ų61.622%0.22330%0.3CS..EExtended strand (participates in β ladder)trans-142.4137.6176.4-166.3159.8-179.2158.93.7112.4K14 V15 F28 H64 M68 E140K14-R26 WeakPolarHBondContact CA-O 3.18Å; V15-R26 PolarHBondContact N-O 2.69Å; V15-R26 PolarHBondContact O-N 3.14Å; R26-F28 HydrophobicContact CB-CE2 3.98Å; R26-F28 HydrophobicContact CB-CZ 4.09Å; R26-F28 VanDerWaalsContact CD-CZ 3.42Å; R26-F28 HydrophobicContact CG-CE1 3.93Å; R26-F28 HydrophobicContact CG-CE2 3.91Å; R26-F28 HydrophobicContact CG-CZ 3.6Å; R26-H64 PolarHBondContact NH1-ND1 3.31Å; R26-H64 PolarHBondContact NH2-CE1 2.68Å; R26-H64 PolarHBondContact NH2-ND1 3.26Å; R26-H64 PolarHBondContact NH2-NE2 3.17Å; R26-M68 HydrophobicContact CB-CE 3.87Å; R26-M68 HydrophobicContact CB-SD 3.7Å; R26-E140 IonicContact CZ-OE1 2.68Å; R26-E140 IonicContact CZ-OE2 3.15Å; R26-E140 IonicContact NH1-OE1 3.56Å; R26-E140 PolarHBondContact NH1-OE1 3.41Å; R26-E140 IonicContact NH1-OE2 2.8Å; R26-E140 PolarHBondContact NH1-OE2 2.89Å; R26-E140 VanDerWaalsContact NH1-OE2 3.15Å; R26-E140 VanDerWaalsContact NH2-CD 3.29Å; R26-E140 IonicContact NH2-OE1 2.88Å; R26-E140 PolarHBondContact NH2-OE1 2.94Å; R26-E140 IonicContact NH2-OE2 3.92Å; R26-E140 PolarHBondContact NH2-OE2 3.41Å
27N96.2Very high93.9Very high77 Ų7764.5 Ų64.541%0.41231%0.31SS..EExtended strand (participates in β ladder)trans-104.6107.7-176.7-176.32.7000111.6K14 R29 H30K14-N27 HydrophobicContact CG-CB 4.34Å; N27-R29 WeakPolarHBondContact OD1-CB 3.14Å; N27-R29 WeakPolarHBondContact OD1-CG 3.33Å; N27-R29 PolarHBondContact OD1-N 3.24Å; N27-H30 PolarHBondContact O-CE1 2.74Å; N27-H30 PolarHBondContact O-ND1 3.22Å
28F95.2Very high93.6Very high4 Ų468.7 Ų68.72%0.01833%0.332CS..  trans-10019.1176-56.4-75.2000113.3R13 V15 R26 H30 V31 I35 I61 H64 I65R13-F28 HydrophobicContact CB-CB 4.41Å; R13-F28 WeakPolarHBondContact O-CB 3.38Å; R13-F28 PolarHBondContact O-N 3.14Å; V15-F28 HydrophobicContact CB-CD2 4.42Å; V15-F28 HydrophobicContact CB-CE2 4.13Å; V15-F28 HydrophobicContact CG2-CD2 3.79Å; V15-F28 HydrophobicContact CG2-CE2 3.81Å; R26-F28 HydrophobicContact CB-CE2 3.98Å; R26-F28 HydrophobicContact CB-CZ 4.09Å; R26-F28 VanDerWaalsContact CD-CZ 3.42Å; R26-F28 HydrophobicContact CG-CE1 3.93Å; R26-F28 HydrophobicContact CG-CE2 3.91Å; R26-F28 HydrophobicContact CG-CZ 3.6Å; F28-H30 PolarHBondContact O-N 2.95Å; F28-H30 VanDerWaalsContact O-N 3.16Å; F28-V31 PolarHBondContact O-N 3.04Å; F28-I35 HydrophobicContact CB-CD1 4.16Å; F28-I35 HydrophobicContact CD2-CD1 4.02Å; F28-I35 HydrophobicContact CG-CD1 4.35Å; F28-I61 HydrophobicContact CB-CD1 4.05Å; F28-I61 HydrophobicContact CD1-CD1 3.96Å; F28-I61 HydrophobicContact CD1-CG1 3.8Å; F28-I61 HydrophobicContact CD1-CG2 4.42Å; F28-I61 HydrophobicContact CD2-CG2 4.34Å; F28-I61 HydrophobicContact CE1-CG1 4.04Å; F28-I61 HydrophobicContact CE1-CG2 4.38Å; F28-I61 HydrophobicContact CE2-CG2 4.31Å; F28-I61 HydrophobicContact CG-CD1 4.1Å; F28-I61 HydrophobicContact CG-CG1 4.33Å; F28-I61 HydrophobicContact CG-CG2 4.38Å; F28-I61 HydrophobicContact CZ-CG2 4.3Å; F28-H64 HydrophobicContact CE1-CB 4.11Å; F28-H64 HydrophobicContact CZ-CB 3.76Å; F28-I65 HydrophobicContact CE2-CG1 4.27Å
29R94Very high93.2Very high120 Ų12069.2 Ų69.245%0.45335%0.347SS..THydrogen-bonded Turntrans-58.7-29.1-178.4-79176.9175.8-171-2.1114.5A12 R13 N27 V31A12-R29 WeakPolarHBondContact O-CG 3.48Å; A12-R29 PolarHBondContact O-NE 3.46Å; R13-R29 HydrophobicContact CB-CG 4.48Å; R13-R29 PolarHBondContact NH2-O 3.18Å; N27-R29 WeakPolarHBondContact OD1-CB 3.14Å; N27-R29 WeakPolarHBondContact OD1-CG 3.33Å; N27-R29 PolarHBondContact OD1-N 3.24Å; R29-V31 PolarHBondContact O-N 2.96Å
30H92.4Very high92.7Very high155 Ų15579 Ų7972%0.71838%0.378SS*.THydrogen-bonded Turntrans-69.5-17.1178.163.6-84.6000112.7N27 F28N27-H30 PolarHBondContact O-CE1 2.74Å; N27-H30 PolarHBondContact O-ND1 3.22Å; F28-H30 PolarHBondContact O-N 2.95Å; F28-H30 VanDerWaalsContact O-N 3.16Å
31V91.5Very high92.4Very high14 Ų1482.3 Ų82.39%0.08539%0.386CS..SBendtrans-97.5118.6176.1-166.80000109.6F28 R29 L33 K57 I61F28-V31 PolarHBondContact O-N 3.04Å; R29-V31 PolarHBondContact O-N 2.96Å; V31-L33 VanDerWaalsContact C-N 3.34Å; V31-L33 HydrophobicContact CB-CG 4.35Å; V31-L33 HydrophobicContact CG1-CD2 3.61Å; V31-L33 HydrophobicContact CG1-CG 3.79Å; V31-L33 PolarHBondContact O-N 3.11Å; V31-K57 HydrophobicContact CG1-CB 4Å; V31-K57 HydrophobicContact CG1-CD 3.72Å; V31-K57 HydrophobicContact CG1-CG 4.47Å; V31-I61 HydrophobicContact CB-CD1 4Å; V31-I61 HydrophobicContact CG1-CD1 4.07Å; V31-I61 HydrophobicContact CG2-CD1 4.13Å
32Y90.2Very high92.4Very high172 Ų17285.1 Ų85.168%0.67540%0.401SS*.  trans-76.882.5177.9-171.4-124.6000110.9K47Y32-K47 WeakPolarHBondContact O-CD 3.22Å; Y32-K47 WeakPolarHBondContact O-CE 3.23Å; Y32-K47 PolarHBondContact O-NZ 3.24Å
33L92.3Very high92.4Very high5 Ų586.1 Ų86.13%0.02640%0.398CS..SBendtrans-150.9174.517256.672.4000110.8R13 V31 I35 V45 K47 I58 I61R13-L33 WeakPolarHBondContact CD-O 3.24Å; R13-L33 PolarHBondContact NH1-O 3.38Å; V31-L33 VanDerWaalsContact C-N 3.34Å; V31-L33 HydrophobicContact CB-CG 4.35Å; V31-L33 HydrophobicContact CG1-CD2 3.61Å; V31-L33 HydrophobicContact CG1-CG 3.79Å; V31-L33 PolarHBondContact O-N 3.11Å; L33-I35 HydrophobicContact CD1-CD1 4.01Å; L33-I35 HydrophobicContact CD1-CG1 3.44Å; L33-I35 VanDerWaalsContact CD1-CG1 3.44Å; L33-V45 HydrophobicContact CD1-CG1 3.98Å; L33-V45 HydrophobicContact CD2-CG1 4.18Å; L33-K47 HydrophobicContact CB-CB 4.34Å; L33-K47 HydrophobicContact CB-CD 4.17Å; L33-I58 HydrophobicContact CD2-CG1 4.38Å; L33-I61 HydrophobicContact CD1-CD1 3.77Å; L33-I61 HydrophobicContact CD2-CD1 3.5Å; L33-I61 VanDerWaalsContact CD2-CD1 3.5Å; L33-I61 HydrophobicContact CG-CD1 3.94Å
34N93Very high92.3Very high58 Ų5883.3 Ų83.331%0.3139%0.389SS..EExtended strand (participates in β ladder)trans-106.1137.1176.6-69.76.7000110.6V45 R46 W48N34-V45 WeakPolarHBondContact O-CA 3.39Å; N34-R46 HydrophobicContact CB-CG 3.9Å; N34-R46 PolarHBondContact N-O 2.95Å; N34-R46 PolarHBondContact O-N 2.89Å; N34-W48 PolarHBondContact ND2-NE1 2.94Å
35I95Very high92.2Very high14 Ų1483 Ų837%0.07239%0.387CS..EExtended strand (participates in β ladder)trans-124.7120.3173.9-50.2176.6000106.4I10 R13 V15 F28 L33 I43 L44 V45 I61 I65I10-I35 HydrophobicContact CD1-CG2 3.74Å; I10-I35 HydrophobicContact CG1-CG2 4.29Å; I10-I35 HydrophobicContact CG2-CB 4.07Å; I10-I35 HydrophobicContact CG2-CG2 3.99Å; I10-I35 WeakPolarHBondContact CG2-O 3.49Å; R13-I35 HydrophobicContact CB-CD1 4.46Å; V15-I35 HydrophobicContact CG2-CD1 4.2Å; V15-I35 HydrophobicContact CG2-CG2 4.46Å; F28-I35 HydrophobicContact CB-CD1 4.16Å; F28-I35 HydrophobicContact CD2-CD1 4.02Å; F28-I35 HydrophobicContact CG-CD1 4.35Å; L33-I35 HydrophobicContact CD1-CD1 4.01Å; L33-I35 HydrophobicContact CD1-CG1 3.44Å; L33-I35 VanDerWaalsContact CD1-CG1 3.44Å; I35-I43 HydrophobicContact CG2-CG2 3.92Å; I35-L44 WeakPolarHBondContact CA-O 3.44Å; I35-V45 HydrophobicContact CG1-CG1 4.48Å; I35-V45 HydrophobicContact CG2-CG2 4.32Å; I35-I61 HydrophobicContact CD1-CD1 4.47Å; I35-I61 HydrophobicContact CD1-CG2 3.8Å; I35-I65 HydrophobicContact CG2-CD1 4.21Å
36E93.1Very high92.1Very high58 Ų5880.9 Ų80.927%0.27137%0.374SS..EExtended strand (participates in β ladder)trans-132.4139.6-174-70.8166.8-148.600110.3I43 L44 R46E36-I43 CarbonylContact O-C 3.55Å; E36-I43 WeakPolarHBondContact O-CA 3.36Å; E36-L44 PolarHBondContact N-O 3.4Å; E36-L44 PolarHBondContact O-N 3Å; E36-R46 IonicContact OE1-CZ 3.32Å; E36-R46 IonicContact OE1-NE 3.12Å; E36-R46 PolarHBondContact OE1-NE 2.79Å; E36-R46 VanDerWaalsContact OE1-NE 3.12Å; E36-R46 IonicContact OE1-NH2 2.95Å; E36-R46 PolarHBondContact OE1-NH2 3.38Å; E36-R46 IonicContact OE2-CZ 3.44Å; E36-R46 IonicContact OE2-NE 3.66Å; E36-R46 IonicContact OE2-NH2 2.69Å; E36-R46 PolarHBondContact OE2-NH2 3.45Å
37K91.3Very high91.9Very high86 Ų8679.6 Ų79.637%0.37437%0.37SS..EExtended strand (participates in β ladder)trans-88111.2172.3-161.6-175.5-177.1169.30108.3D7 V8 I10 G39D7-K37 IonicContact OD1-NZ 2.74Å; D7-K37 PolarHBondContact OD1-NZ 2.76Å; V8-K37 WeakPolarHBondContact O-CD 3.39Å; V8-K37 WeakPolarHBondContact O-CE 3.39Å; V8-K37 PolarHBondContact O-NZ 2.63Å; I10-K37 HydrophobicContact CD1-CB 4.11Å; K37-G39 WeakPolarHBondContact CG-O 3.3Å; K37-G39 PolarHBondContact O-N 3.17Å
38L90.4Very high91.7Very high88 Ų8882.9 Ų82.946%0.46138%0.377SS..EExtended strand (participates in β ladder)trans-90.992.2175.1-64.5-175.8000109.3K42 L44L38-K42 HydrophobicContact CB-CB 4Å; L38-K42 PolarHBondContact N-O 3.31Å; L38-L44 HydrophobicContact CD1-CB 3.7Å; L38-L44 HydrophobicContact CD1-CD2 4.08Å; L38-L44 HydrophobicContact CD1-CG 4.35Å; L38-L44 HydrophobicContact CG-CB 3.83Å
39G86.7Confident91.5Very high58 Ų5892.2 Ų92.260%0.59842%0.418SS*.THydrogen-bonded Turntrans67.9-143.6-177.400000112.7K37K37-G39 WeakPolarHBondContact CG-O 3.3Å; K37-G39 PolarHBondContact O-N 3.17Å
40R83.3Confident91.2Very high223 Ų22387.7 Ų87.784%0.84241%0.408SS*.THydrogen-bonded Turntrans-88.2-32-173.8-67.8-175.7179.7177.70.3114.4
41H86.2Confident91.1Very high147 Ų14784.7 Ų84.768%0.68140%0.401SS*.THydrogen-bonded Turntrans-121.52-165.1-56.8-62.8000114.9F4F4-H41 AromaticContact CE1-CE1 3.92Å
42K91Very high91Very high150 Ų15095 Ų9565%0.65244%0.438SS*.EExtended strand (participates in β ladder)trans-126.5135.5-177.8-65.4-177.9-179179.40110.3L38L38-K42 HydrophobicContact CB-CB 4Å; L38-K42 PolarHBondContact N-O 3.31Å
43I93.4Very high91Very high53 Ų5395.1 Ų95.127%0.27244%0.442SS..EExtended strand (participates in β ladder)trans-117.2123.7170.7-61.3170.1000106.5V8 I10 I35 E36 V45 I65V8-I43 HydrophobicContact CB-CD1 4.17Å; V8-I43 HydrophobicContact CG1-CD1 3.75Å; V8-I43 HydrophobicContact CG2-CD1 4.2Å; I10-I43 HydrophobicContact CD1-CG1 4.37Å; I10-I43 HydrophobicContact CD1-CG2 3.88Å; I35-I43 HydrophobicContact CG2-CG2 3.92Å; E36-I43 CarbonylContact O-C 3.55Å; E36-I43 WeakPolarHBondContact O-CA 3.36Å; I43-V45 HydrophobicContact CG2-CG2 4.36Å; I43-I65 HydrophobicContact CD1-CG2 3.75Å; I43-I65 HydrophobicContact CG2-CD1 4.37Å
44L93.7Very high90.8Very high59 Ų5997 Ų9731%0.30945%0.451SS..EExtended strand (participates in β ladder)trans-97.9114175.7-178.866.2000109.1I35 E36 L38 R46I35-L44 WeakPolarHBondContact CA-O 3.44Å; E36-L44 PolarHBondContact N-O 3.4Å; E36-L44 PolarHBondContact O-N 3Å; L38-L44 HydrophobicContact CD1-CB 3.7Å; L38-L44 HydrophobicContact CD1-CD2 4.08Å; L38-L44 HydrophobicContact CD1-CG 4.35Å; L38-L44 HydrophobicContact CG-CB 3.83Å; L44-R46 HydrophobicContact CD2-CG 4.33Å; L44-R46 HydrophobicContact CG-CB 4.28Å; L44-R46 HydrophobicContact CG-CG 4.35Å
45V95Very high90.7Very high17 Ų1798.4 Ų98.410%0.10346%0.458CS..EExtended strand (participates in β ladder)trans-101.6112.8167.9-173.70000107L33 N34 I35 I43 I58 I61 I65L33-V45 HydrophobicContact CD1-CG1 3.98Å; L33-V45 HydrophobicContact CD2-CG1 4.18Å; N34-V45 WeakPolarHBondContact O-CA 3.39Å; I35-V45 HydrophobicContact CG1-CG1 4.48Å; I35-V45 HydrophobicContact CG2-CG2 4.32Å; I43-V45 HydrophobicContact CG2-CG2 4.36Å; V45-I58 HydrophobicContact CB-CG2 4.1Å; V45-I58 HydrophobicContact CG1-CB 4.42Å; V45-I58 HydrophobicContact CG1-CG2 3.89Å; V45-I61 HydrophobicContact CG1-CB 4.37Å; V45-I61 HydrophobicContact CG1-CG2 4.2Å; V45-I61 HydrophobicContact CG2-CG2 4.28Å; V45-I65 HydrophobicContact CG2-CD1 4.27Å
46R93.7Very high90.6Very high81 Ų81100.8 Ų100.831%0.30648%0.476SS..EExtended strand (participates in β ladder)trans-132.9148.9-176.466175169-1791.4112.3N34 E36 L44 W48N34-R46 HydrophobicContact CB-CG 3.9Å; N34-R46 PolarHBondContact N-O 2.95Å; N34-R46 PolarHBondContact O-N 2.89Å; E36-R46 IonicContact OE1-CZ 3.32Å; E36-R46 IonicContact OE1-NE 3.12Å; E36-R46 PolarHBondContact OE1-NE 2.79Å; E36-R46 VanDerWaalsContact OE1-NE 3.12Å; E36-R46 IonicContact OE1-NH2 2.95Å; E36-R46 PolarHBondContact OE1-NH2 3.38Å; E36-R46 IonicContact OE2-CZ 3.44Å; E36-R46 IonicContact OE2-NE 3.66Å; E36-R46 IonicContact OE2-NH2 2.69Å; E36-R46 PolarHBondContact OE2-NH2 3.45Å; L44-R46 HydrophobicContact CD2-CG 4.33Å; L44-R46 HydrophobicContact CG-CB 4.28Å; L44-R46 HydrophobicContact CG-CG 4.35Å; R46-W48 VanDerWaalsContact NH1-CZ2 3.35Å
47K92.9Very high90.6Very high32 Ų32102.2 Ų102.214%0.13948%0.481CS..  trans-124.3125.6171.7175.868.6-174.5-159.70108.6Y32 L33 E54 I58Y32-K47 WeakPolarHBondContact O-CD 3.22Å; Y32-K47 WeakPolarHBondContact O-CE 3.23Å; Y32-K47 PolarHBondContact O-NZ 3.24Å; L33-K47 HydrophobicContact CB-CB 4.34Å; L33-K47 HydrophobicContact CB-CD 4.17Å; K47-E54 VanDerWaalsContact CE-CD 3.41Å; K47-E54 VanDerWaalsContact CE-OE1 3.3Å; K47-E54 WeakPolarHBondContact CE-OE1 3.49Å; K47-E54 WeakPolarHBondContact CE-OE2 3.28Å; K47-E54 HydrophobicContact CG-CB 4.33Å; K47-E54 IonicContact NZ-OE1 2.73Å; K47-E54 PolarHBondContact NZ-OE1 2.81Å; K47-E54 IonicContact NZ-OE2 2.9Å; K47-I58 HydrophobicContact CB-CD1 3.89Å; K47-I58 HydrophobicContact CB-CG1 4.31Å
48W92Very high90.7Very high147 Ų14799.8 Ų99.856%0.55747%0.472SS*.THydrogen-bonded Turntrans-77.1132.5171.6-62.1102.1000109.9N34 R46 G50N34-W48 PolarHBondContact ND2-NE1 2.94Å; R46-W48 VanDerWaalsContact NH1-CZ2 3.35Å; W48-G50 PolarHBondContact O-N 3.11Å
49F91Very high90.8Very high200 Ų200105 Ų10588%0.87749%0.486SS*.THydrogen-bonded Turntrans50.741.2178.2-51.8-74.6000113.6V51F49-V51 PolarHBondContact O-N 3.43Å
50G87.3Confident91.2Very high24 Ų24105.8 Ų105.825%0.24748%0.478CS..  trans-72.3127.1-173.800000113.2W48 E54W48-G50 PolarHBondContact O-N 3.11Å; G50-E54 WeakPolarHBondContact CA-OE2 3.24Å
51V90.5Very high91.8Very high93 Ų9395.3 Ų95.356%0.56444%0.439SS*.  trans-75.7163.4168-63.50000110.9F49 K53 E54 L55F49-V51 PolarHBondContact O-N 3.43Å; V51-K53 PolarHBondContact O-N 3.22Å; V51-E54 HydrophobicContact CG2-CB 4.34Å; V51-E54 HydrophobicContact CG2-CG 3.74Å; V51-E54 PolarHBondContact N-OE2 3.01Å; V51-E54 WeakPolarHBondContact O-CA 3.36Å; V51-E54 WeakPolarHBondContact O-CB 3.38Å; V51-E54 PolarHBondContact O-N 2.76Å; V51-L55 PolarHBondContact O-N 2.85Å
52R90.3Very high92.2Very high229 Ų22990.1 Ų90.186%0.86442%0.419SS*.Hα-helixtrans-47.3-42.1-177.5-175.6176.1174.4170.5-1.2114.1E54 L55 S56R52-E54 VanDerWaalsContact C-N 3.28Å; R52-E54 PolarHBondContact O-N 2.93Å; R52-L55 PolarHBondContact O-N 3.15Å; R52-S56 PolarHBondContact O-N 2.89Å
53K89.2Confident92.5Very high175 Ų17585.7 Ų85.776%0.76141%0.407SS*.Hα-helixtrans-68.3-21.3177.9-71.1-175.2179.2178.10114.2V51 S56 K57V51-K53 PolarHBondContact O-N 3.22Å; K53-S56 PolarHBondContact O-OG 2.84Å; K53-K57 WeakPolarHBondContact O-CE 3.41Å
54E89.1Confident92.6Very high45 Ų4584.8 Ų84.821%0.2140%0.402CS..Hα-helixtrans-91.9-34.2177.4-63.1-177.7123.500111.5K47 G50 V51 R52 S56 K57K47-E54 VanDerWaalsContact CE-CD 3.41Å; K47-E54 VanDerWaalsContact CE-OE1 3.3Å; K47-E54 WeakPolarHBondContact CE-OE1 3.49Å; K47-E54 WeakPolarHBondContact CE-OE2 3.28Å; K47-E54 HydrophobicContact CG-CB 4.33Å; K47-E54 IonicContact NZ-OE1 2.73Å; K47-E54 PolarHBondContact NZ-OE1 2.81Å; K47-E54 IonicContact NZ-OE2 2.9Å; G50-E54 WeakPolarHBondContact CA-OE2 3.24Å; V51-E54 HydrophobicContact CG2-CB 4.34Å; V51-E54 HydrophobicContact CG2-CG 3.74Å; V51-E54 PolarHBondContact N-OE2 3.01Å; V51-E54 WeakPolarHBondContact O-CA 3.36Å; V51-E54 WeakPolarHBondContact O-CB 3.38Å; V51-E54 PolarHBondContact O-N 2.76Å; R52-E54 VanDerWaalsContact C-N 3.28Å; R52-E54 PolarHBondContact O-N 2.93Å; E54-S56 PolarHBondContact O-N 2.75Å; E54-K57 WeakPolarHBondContact O-CB 3.41Å; E54-K57 PolarHBondContact O-N 2.93Å
55L90.6Very high92.7Very high87 Ų8782.3 Ų82.346%0.45539%0.389SS..Hα-helixtrans-61-33.9174.9-65177.7000112.2V51 R52 K57 I58V51-L55 PolarHBondContact O-N 2.85Å; R52-L55 PolarHBondContact O-N 3.15Å; L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 3.31Å; L55-I58 HydrophobicContact CD2-CD1 3.92Å; L55-I58 WeakPolarHBondContact O-CB 3.35Å; L55-I58 PolarHBondContact O-N 2.8Å
56S91.4Very high92.7Very high64 Ų6486.2 Ų86.245%0.44841%0.406SS..Hα-helixtrans-62.1-34.2173.958.50000112.6R52 K53 E54 I58 R59 T60R52-S56 PolarHBondContact O-N 2.89Å; K53-S56 PolarHBondContact O-OG 2.84Å; E54-S56 PolarHBondContact O-N 2.75Å; S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.89Å; S56-R59 PolarHBondContact O-N 3.48Å; S56-T60 PolarHBondContact O-N 3.5Å; S56-T60 PolarHBondContact O-OG1 3.14Å
57K93.3Very high92.9Very high89 Ų8984.5 Ų84.539%0.38740%0.403SS..Hα-helixtrans-66.4-29.5179.5-52.8-178.7-172.4174.90112.2V31 K53 E54 L55 R59 T60 I61V31-K57 HydrophobicContact CG1-CB 4Å; V31-K57 HydrophobicContact CG1-CD 3.72Å; V31-K57 HydrophobicContact CG1-CG 4.47Å; K53-K57 WeakPolarHBondContact O-CE 3.41Å; E54-K57 WeakPolarHBondContact O-CB 3.41Å; E54-K57 PolarHBondContact O-N 2.93Å; L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 3.31Å; K57-R59 VanDerWaalsContact C-N 3.34Å; K57-R59 PolarHBondContact O-N 3.03Å; K57-T60 PolarHBondContact O-N 3.41Å; K57-I61 WeakPolarHBondContact O-CG1 3.46Å; K57-I61 PolarHBondContact O-N 3.06Å
58I94.2Very high93.1Very high34 Ų3483.3 Ų83.317%0.17440%0.398CS..Hα-helixtrans-57.6-50.3174.6-61.2176.1000109.4L33 V45 K47 L55 S56 T60 I61 S62L33-I58 HydrophobicContact CD2-CG1 4.38Å; V45-I58 HydrophobicContact CB-CG2 4.1Å; V45-I58 HydrophobicContact CG1-CB 4.42Å; V45-I58 HydrophobicContact CG1-CG2 3.89Å; K47-I58 HydrophobicContact CB-CD1 3.89Å; K47-I58 HydrophobicContact CB-CG1 4.31Å; L55-I58 HydrophobicContact CD2-CD1 3.92Å; L55-I58 WeakPolarHBondContact O-CB 3.35Å; L55-I58 PolarHBondContact O-N 2.8Å; S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.89Å; I58-T60 PolarHBondContact O-N 3.21Å; I58-I61 PolarHBondContact O-N 3Å; I58-S62 PolarHBondContact O-N 3.42Å; I58-S62 PolarHBondContact O-OG 3.41Å; I58-S62 VanDerWaalsContact O-OG 3.11Å
59R93Very high93.2Very high199 Ų19978.6 Ų78.675%0.75138%0.383SS*.Hα-helixtrans-61.1-44.5179.4-68.1-175178.3174.8-1.1111.7S56 K57 I61 S62 S63S56-R59 PolarHBondContact O-N 3.48Å; K57-R59 VanDerWaalsContact C-N 3.34Å; K57-R59 PolarHBondContact O-N 3.03Å; R59-I61 PolarHBondContact O-N 3.31Å; R59-S62 PolarHBondContact O-N 3.47Å; R59-S63 PolarHBondContact O-N 2.9Å; R59-S63 PolarHBondContact O-OG 2.96Å
60T94.9Very high93.4Very high73 Ų7372.1 Ų72.145%0.44836%0.355SS..Hα-helixtrans-57.2-48.5177.4-55.50000111.9S56 K57 I58 S63 H64S56-T60 PolarHBondContact O-N 3.5Å; S56-T60 PolarHBondContact O-OG1 3.14Å; K57-T60 PolarHBondContact O-N 3.41Å; I58-T60 PolarHBondContact O-N 3.21Å; T60-S63 PolarHBondContact O-N 3.48Å; T60-H64 VanDerWaalsContact CG2-NE2 3.3Å; T60-H64 WeakPolarHBondContact CG2-NE2 3.34Å; T60-H64 PolarHBondContact O-CD2 3.22Å; T60-H64 PolarHBondContact O-N 2.85Å
61I95.1Very high93.7Very high4 Ų471 Ų712%0.02134%0.343CS..Hα-helixtrans-65.6-43.2178.8-67.4-175.6000111.3F28 V31 L33 I35 V45 K57 I58 R59 S63 H64 I65F28-I61 HydrophobicContact CB-CD1 4.05Å; F28-I61 HydrophobicContact CD1-CD1 3.96Å; F28-I61 HydrophobicContact CD1-CG1 3.8Å; F28-I61 HydrophobicContact CD1-CG2 4.42Å; F28-I61 HydrophobicContact CD2-CG2 4.34Å; F28-I61 HydrophobicContact CE1-CG1 4.04Å; F28-I61 HydrophobicContact CE1-CG2 4.38Å; F28-I61 HydrophobicContact CE2-CG2 4.31Å; F28-I61 HydrophobicContact CG-CD1 4.1Å; F28-I61 HydrophobicContact CG-CG1 4.33Å; F28-I61 HydrophobicContact CG-CG2 4.38Å; F28-I61 HydrophobicContact CZ-CG2 4.3Å; V31-I61 HydrophobicContact CB-CD1 4Å; V31-I61 HydrophobicContact CG1-CD1 4.07Å; V31-I61 HydrophobicContact CG2-CD1 4.13Å; L33-I61 HydrophobicContact CD1-CD1 3.77Å; L33-I61 HydrophobicContact CD2-CD1 3.5Å; L33-I61 VanDerWaalsContact CD2-CD1 3.5Å; L33-I61 HydrophobicContact CG-CD1 3.94Å; I35-I61 HydrophobicContact CD1-CD1 4.47Å; I35-I61 HydrophobicContact CD1-CG2 3.8Å; V45-I61 HydrophobicContact CG1-CB 4.37Å; V45-I61 HydrophobicContact CG1-CG2 4.2Å; V45-I61 HydrophobicContact CG2-CG2 4.28Å; K57-I61 WeakPolarHBondContact O-CG1 3.46Å; K57-I61 PolarHBondContact O-N 3.06Å; I58-I61 PolarHBondContact O-N 3Å; R59-I61 PolarHBondContact O-N 3.31Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.39Å; I61-H64 PolarHBondContact O-N 3.2Å; I61-H64 VanDerWaalsContact O-N 3.17Å; I61-I65 HydrophobicContact CG2-CD1 3.79Å; I61-I65 HydrophobicContact CG2-CG1 4.3Å; I61-I65 WeakPolarHBondContact O-CG1 3.22Å; I61-I65 PolarHBondContact O-N 2.7Å
62S95.2Very high93.9Very high37 Ų3766.6 Ų66.626%0.25932%0.316SS..Hα-helixtrans-57.2-46.9175.8-62.80000111.4I58 R59 H64 I65 E66I58-S62 PolarHBondContact O-N 3.42Å; I58-S62 PolarHBondContact O-OG 3.41Å; I58-S62 VanDerWaalsContact O-OG 3.11Å; R59-S62 PolarHBondContact O-N 3.47Å; S62-H64 VanDerWaalsContact C-N 3.35Å; S62-H64 PolarHBondContact O-N 3.18Å; S62-I65 PolarHBondContact O-N 2.69Å; S62-E66 WeakPolarHBondContact O-CG 3.5Å; S62-E66 PolarHBondContact O-N 2.89Å
63S96.8Very high94.1Very high57 Ų5759.5 Ų59.540%0.39929%0.289SS..Hα-helixtrans-59.5-42.7175.1-63.40000112.6R59 T60 I61 I65 E66 N67R59-S63 PolarHBondContact O-N 2.9Å; R59-S63 PolarHBondContact O-OG 2.96Å; T60-S63 PolarHBondContact O-N 3.48Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.39Å; S63-I65 PolarHBondContact O-N 2.95Å; S63-E66 PolarHBondContact O-N 2.87Å; S63-N67 WeakPolarHBondContact O-CB 3.28Å; S63-N67 PolarHBondContact O-N 3.15Å; S63-N67 PolarHBondContact O-ND2 2.83Å
64H96.7Very high94.3Very high35 Ų3551.9 Ų51.916%0.16226%0.256CS..Hα-helixtrans-63.5-42.4177.3-69.2-53.7000112.2R26 F28 T60 I61 S62 N67 M68 E140R26-H64 PolarHBondContact NH1-ND1 3.31Å; R26-H64 PolarHBondContact NH2-CE1 2.68Å; R26-H64 PolarHBondContact NH2-ND1 3.26Å; R26-H64 PolarHBondContact NH2-NE2 3.17Å; F28-H64 HydrophobicContact CE1-CB 4.11Å; F28-H64 HydrophobicContact CZ-CB 3.76Å; T60-H64 VanDerWaalsContact CG2-NE2 3.3Å; T60-H64 WeakPolarHBondContact CG2-NE2 3.34Å; T60-H64 PolarHBondContact O-CD2 3.22Å; T60-H64 PolarHBondContact O-N 2.85Å; I61-H64 PolarHBondContact O-N 3.2Å; I61-H64 VanDerWaalsContact O-N 3.17Å; S62-H64 VanDerWaalsContact C-N 3.35Å; S62-H64 PolarHBondContact O-N 3.18Å; H64-N67 PolarHBondContact O-N 3.42Å; H64-M68 VanDerWaalsContact O-CG 3.27Å; H64-M68 WeakPolarHBondContact O-CG 3.37Å; H64-M68 PolarHBondContact O-N 2.98Å; H64-E140 IonicContact CE1-OE1 3.17Å; H64-E140 PolarHBondContact CE1-OE1 3.24Å; H64-E140 IonicContact ND1-OE1 2.78Å; H64-E140 PolarHBondContact ND1-OE1 3.5Å; H64-E140 IonicContact NE2-OE1 2.91Å
65I95.4Very high94.6Very high6 Ų649.8 Ų49.83%0.03125%0.246CC..Hα-helixtrans-65.1-44.1177.6-64.8172000110.5V15 F28 I35 I43 V45 I61 S62 S63 N67 M68 I69V15-I65 HydrophobicContact CG1-CG1 4.31Å; V15-I65 HydrophobicContact CG2-CD1 4.16Å; V15-I65 HydrophobicContact CG2-CG1 4.39Å; F28-I65 HydrophobicContact CE2-CG1 4.27Å; I35-I65 HydrophobicContact CG2-CD1 4.21Å; I43-I65 HydrophobicContact CD1-CG2 3.75Å; I43-I65 HydrophobicContact CG2-CD1 4.37Å; V45-I65 HydrophobicContact CG2-CD1 4.27Å; I61-I65 HydrophobicContact CG2-CD1 3.79Å; I61-I65 HydrophobicContact CG2-CG1 4.3Å; I61-I65 WeakPolarHBondContact O-CG1 3.22Å; I61-I65 PolarHBondContact O-N 2.7Å; S62-I65 PolarHBondContact O-N 2.69Å; S63-I65 PolarHBondContact O-N 2.95Å; I65-N67 VanDerWaalsContact C-N 3.3Å; I65-N67 PolarHBondContact O-N 2.92Å; I65-M68 PolarHBondContact O-N 2.97Å; I65-I69 HydrophobicContact CG2-CD1 3.94Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 2.89Å
66E95.4Very high94.9Very high100 Ų10046 Ų4647%0.46723%0.226SC..Hα-helixtrans-59-42.1174.8-75.7177.9-158.800112S62 S63 I69 K70S62-E66 WeakPolarHBondContact O-CG 3.5Å; S62-E66 PolarHBondContact O-N 2.89Å; S63-E66 PolarHBondContact O-N 2.87Å; E66-I69 PolarHBondContact O-N 3.44Å; E66-K70 WeakPolarHBondContact O-CB 3.43Å; E66-K70 WeakPolarHBondContact O-CG 3.4Å; E66-K70 PolarHBondContact O-N 2.81Å
67N96.6Very high95.1Very high44 Ų4446 Ų4624%0.23522%0.216CC..Hα-helixtrans-66.5-39.4177.4-69.4-22.2000111.7S63 H64 I65 I69 K70 G71 Y76 L139S63-N67 WeakPolarHBondContact O-CB 3.28Å; S63-N67 PolarHBondContact O-N 3.15Å; S63-N67 PolarHBondContact O-ND2 2.83Å; H64-N67 PolarHBondContact O-N 3.42Å; I65-N67 VanDerWaalsContact C-N 3.3Å; I65-N67 PolarHBondContact O-N 2.92Å; N67-I69 VanDerWaalsContact C-N 3.34Å; N67-I69 PolarHBondContact O-N 2.9Å; N67-K70 PolarHBondContact O-N 3.36Å; N67-G71 WeakPolarHBondContact O-CA 3.32Å; N67-G71 PolarHBondContact O-N 2.82Å; N67-Y76 VanDerWaalsContact CA-OH 3.24Å; N67-Y76 WeakPolarHBondContact CA-OH 3.43Å; N67-Y76 PolarHBondContact O-OH 3.06Å; N67-L139 HydrophobicContact CB-CB 4.47Å; N67-L139 HydrophobicContact CB-CD2 4.2Å; N67-L139 WeakPolarHBondContact ND2-CD2 3.37Å
68M96.5Very high95.3Very high8 Ų842.6 Ų42.64%0.03920%0.201CC..Hα-helixtrans-61.4-42.9173.3-69.3171.376.400111.5V17 L24 R26 H64 I65 G71 V72V17-M68 HydrophobicContact CB-CB 4.23Å; V17-M68 HydrophobicContact CB-CE 4.33Å; V17-M68 HydrophobicContact CG2-CB 3.83Å; V17-M68 HydrophobicContact CG2-CE 3.89Å; V17-M68 HydrophobicContact CG2-SD 4.41Å; L24-M68 HydrophobicContact CB-CB 4.5Å; L24-M68 HydrophobicContact CB-CE 3.69Å; L24-M68 HydrophobicContact CB-CG 4.39Å; L24-M68 HydrophobicContact CD1-CB 4.18Å; L24-M68 HydrophobicContact CD1-CG 4.29Å; L24-M68 WeakPolarHBondContact O-CE 3.23Å; R26-M68 HydrophobicContact CB-CE 3.87Å; R26-M68 HydrophobicContact CB-SD 3.7Å; H64-M68 VanDerWaalsContact O-CG 3.27Å; H64-M68 WeakPolarHBondContact O-CG 3.37Å; H64-M68 PolarHBondContact O-N 2.98Å; I65-M68 PolarHBondContact O-N 2.97Å; M68-G71 PolarHBondContact O-N 3.32Å; M68-V72 PolarHBondContact O-N 3.49Å
69I94.7Very high95.4Very high47 Ų4743.3 Ų43.324%0.24120%0.203CC..Hα-helixtrans-63.6-48.8178-68.6166.5000111.1V6 V8 V17 I65 E66 N67 G71 V72 R73V6-I69 HydrophobicContact CG1-CG1 4.27Å; V6-I69 HydrophobicContact CG1-CG2 4.21Å; V6-I69 HydrophobicContact CG2-CG2 4.48Å; V8-I69 HydrophobicContact CG2-CD1 4.26Å; V8-I69 HydrophobicContact CG2-CG1 4.24Å; V17-I69 HydrophobicContact CG1-CG1 3.98Å; V17-I69 HydrophobicContact CG2-CG1 4.48Å; I65-I69 HydrophobicContact CG2-CD1 3.94Å; I65-I69 WeakPolarHBondContact O-CG1 3.36Å; I65-I69 PolarHBondContact O-N 2.89Å; E66-I69 PolarHBondContact O-N 3.44Å; N67-I69 VanDerWaalsContact C-N 3.34Å; N67-I69 PolarHBondContact O-N 2.9Å; I69-G71 VanDerWaalsContact C-N 3.31Å; I69-G71 PolarHBondContact O-N 3.44Å; I69-V72 WeakPolarHBondContact O-CG2 3.4Å; I69-R73 VanDerWaalsContact O-CB 3.26Å; I69-R73 WeakPolarHBondContact O-CB 3.14Å; I69-R73 PolarHBondContact O-N 3.07Å
70K94.6Very high95.6Very high65 Ų6533.9 Ų33.928%0.28317%0.168SC..Hα-helixtrans-61.5-42.1176.5-72168.5-178.8169.70110.9E66 N67 R73 Q74 Y76 Y174E66-K70 WeakPolarHBondContact O-CB 3.43Å; E66-K70 WeakPolarHBondContact O-CG 3.4Å; E66-K70 PolarHBondContact O-N 2.81Å; N67-K70 PolarHBondContact O-N 3.36Å; K70-R73 PolarHBondContact O-N 2.92Å; K70-Q74 PolarHBondContact O-N 3.33Å; K70-Y76 WeakPolarHBondContact CB-OH 3.37Å; K70-Y174 HydrophobicContact CB-CE1 4.24Å
71G95.2Very high95.6Very high0 Ų034.5 Ų34.50%016%0.162CC..Hα-helixtrans-58.1-51.7178.400000114.2N67 M68 I69 R73 G75 Y76 N137N67-G71 WeakPolarHBondContact O-CA 3.32Å; N67-G71 PolarHBondContact O-N 2.82Å; M68-G71 PolarHBondContact O-N 3.32Å; I69-G71 VanDerWaalsContact C-N 3.31Å; I69-G71 PolarHBondContact O-N 3.44Å; G71-R73 PolarHBondContact O-N 2.92Å; G71-G75 VanDerWaalsContact O-CA 3.22Å; G71-G75 WeakPolarHBondContact O-CA 3.45Å; G71-G75 PolarHBondContact O-N 3.39Å; G71-Y76 VanDerWaalsContact CA-CE2 3.42Å; G71-N137 WeakPolarHBondContact CA-O 3.13Å
72V94.6Very high95.6Very high0 Ų034.8 Ų34.80%016%0.164CC..Hα-helixtrans-71.2-19.6178.1-60.80000113.5V6 V17 P20 R21 L24 M68 I69V6-V72 HydrophobicContact CG1-CG2 3.95Å; V6-V72 HydrophobicContact CG2-CG2 4.12Å; V17-V72 HydrophobicContact CG1-CG1 4.37Å; V17-V72 HydrophobicContact CG1-CG2 3.65Å; P20-V72 VanDerWaalsContact CD-O 3.28Å; P20-V72 WeakPolarHBondContact CD-O 3.37Å; R21-V72 VanDerWaalsContact CB-O 3.27Å; R21-V72 WeakPolarHBondContact CB-O 3.29Å; R21-V72 WeakPolarHBondContact CG-O 3.3Å; R21-V72 PolarHBondContact N-O 3.21Å; L24-V72 HydrophobicContact CB-CG1 4.27Å; L24-V72 HydrophobicContact CD1-CG1 3.91Å; L24-V72 HydrophobicContact CG-CG1 3.8Å; M68-V72 PolarHBondContact O-N 3.49Å; I69-V72 WeakPolarHBondContact O-CG2 3.4Å
73R93.2Very high95.5Very high80 Ų8035.5 Ų35.530%0.30217%0.167SC..Hα-helixtrans-88.2-48-178.2-171177.872.2166.89.9112.3V6 I69 K70 G71 L178V6-R73 HydrophobicContact CG2-CB 4.2Å; I69-R73 VanDerWaalsContact O-CB 3.26Å; I69-R73 WeakPolarHBondContact O-CB 3.14Å; I69-R73 PolarHBondContact O-N 3.07Å; K70-R73 PolarHBondContact O-N 2.92Å; G71-R73 PolarHBondContact O-N 2.92Å; R73-L178 HydrophobicContact CG-CD1 4.38Å
74Q93.9Very high95.3Very high16 Ų1636 Ų368%0.07516%0.16CC..Hα-helixtrans-118-24.9-170.4-66174.9-18.800113.1R21 K70 Y174 I175 T176 L178R21-Q74 VanDerWaalsContact CD-C 3.48Å; K70-Q74 PolarHBondContact O-N 3.33Å; Q74-Y174 HydrophobicContact CB-CD1 3.85Å; Q74-Y174 HydrophobicContact CB-CG 4.08Å; Q74-Y174 VanDerWaalsContact OE1-CG 3.28Å; Q74-I175 WeakPolarHBondContact O-CB 3.39Å; Q74-I175 PolarHBondContact O-N 3.11Å; Q74-T176 WeakPolarHBondContact CB-O 3.42Å; Q74-T176 PolarHBondContact O-N 3.49Å; Q74-L178 HydrophobicContact CG-CD1 4.19Å; Q74-L178 HydrophobicContact CG-CG 4.14Å
75G95.2Very high95Very high0 Ų037.1 Ų37.10%018%0.176CC..  trans69.1155.9-171.400000112.4R21 G71 Y174 I175R21-G75 VanDerWaalsContact CD-N 3.34Å; G71-G75 VanDerWaalsContact O-CA 3.22Å; G71-G75 WeakPolarHBondContact O-CA 3.45Å; G71-G75 PolarHBondContact O-N 3.39Å; G75-Y174 VanDerWaalsContact O-CA 3.23Å; G75-Y174 WeakPolarHBondContact O-CA 3.49Å; G75-Y174 WeakPolarHBondContact O-CD1 3.28Å; G75-I175 PolarHBondContact O-N 2.71Å; G75-I175 VanDerWaalsContact O-N 3.1Å
76Y97.3Very high94.5Very high9 Ų944.5 Ų44.54%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-107135.8178.9-66.4-74.2000110.6N67 K70 G71 E135 G136 N137 L139 Y174N67-Y76 VanDerWaalsContact CA-OH 3.24Å; N67-Y76 WeakPolarHBondContact CA-OH 3.43Å; N67-Y76 PolarHBondContact O-OH 3.06Å; K70-Y76 WeakPolarHBondContact CB-OH 3.37Å; G71-Y76 VanDerWaalsContact CA-CE2 3.42Å; Y76-E135 WeakPolarHBondContact O-CA 3.32Å; Y76-G136 PolarHBondContact N-O 3.06Å; Y76-G136 PolarHBondContact O-N 3.02Å; Y76-N137 WeakPolarHBondContact CD2-O 3.3Å; Y76-L139 HydrophobicContact CD1-CD1 3.68Å; Y76-L139 HydrophobicContact CD2-CB 3.86Å; Y76-L139 HydrophobicContact CD2-CD1 4.28Å; Y76-L139 HydrophobicContact CE1-CB 4.4Å; Y76-L139 HydrophobicContact CE1-CD1 3.8Å; Y76-L139 HydrophobicContact CE1-CD2 4.48Å; Y76-L139 HydrophobicContact CE1-CG 4.45Å; Y76-L139 HydrophobicContact CE2-CB 3.61Å; Y76-L139 HydrophobicContact CE2-CD1 4.41Å; Y76-L139 HydrophobicContact CG-CB 4.36Å; Y76-L139 HydrophobicContact CG-CD1 3.9Å; Y76-Y174 HydrophobicContact CD1-CD1 4.04Å; Y76-Y174 AromaticContact CD1-CE1 3.93Å; Y76-Y174 HydrophobicContact CD1-CE1 3.93Å; Y76-Y174 HydrophobicContact CE1-CD1 4.05Å; Y76-Y174 AromaticContact CE1-CE1 3.49Å; Y76-Y174 HydrophobicContact CE1-CE1 3.49Å; Y76-Y174 VanDerWaalsContact CE1-CE1 3.49Å
77R96.2Very high94.3Very high63 Ų6344.6 Ų44.624%0.23821%0.209CC..EExtended strand (participates in β ladder)trans-127119.4173.4179.2179-75.1152.3-5.7109.3K79 F133 V134 E135 G173 I175R77-K79 HydrophobicContact CG-CG 4.48Å; R77-F133 HydrophobicContact CG-CB 4.28Å; R77-F133 HydrophobicContact CG-CG 4.4Å; R77-V134 WeakPolarHBondContact CA-O 3.32Å; R77-E135 HydrophobicContact CB-CG 4.22Å; R77-E135 HydrophobicContact CG-CG 4.01Å; R77-E135 IonicContact CZ-OE1 2.76Å; R77-E135 IonicContact NE-OE1 3.22Å; R77-E135 PolarHBondContact NE-OE1 3.12Å; R77-E135 IonicContact NH2-OE1 3.38Å; R77-E135 PolarHBondContact NH2-OE1 2.98Å; R77-E135 IonicContact NH2-OE2 2.69Å; R77-G173 PolarHBondContact N-O 3.2Å; R77-G173 PolarHBondContact O-N 2.75Å; R77-I175 HydrophobicContact CB-CG1 3.78Å
78Y97.3Very high94Very high18 Ų1845.9 Ų45.97%0.07122%0.219CC..EExtended strand (participates in β ladder)trans-103.6118.6169.9-79.225.1000107.8V134 L139 V142 A146 V169 K172Y78-V134 PolarHBondContact N-O 2.96Å; Y78-V134 PolarHBondContact O-N 2.9Å; Y78-L139 HydrophobicContact CE1-CD1 3.98Å; Y78-L139 VanDerWaalsContact OH-CD1 3.3Å; Y78-L139 WeakPolarHBondContact OH-CD1 3.13Å; Y78-V142 HydrophobicContact CD1-CG1 3.86Å; Y78-V142 HydrophobicContact CD2-CG1 4.34Å; Y78-V142 HydrophobicContact CE1-CG1 4.33Å; Y78-V142 HydrophobicContact CG-CG1 3.87Å; Y78-A146 HydrophobicContact CD2-CB 3.82Å; Y78-V169 HydrophobicContact CD2-CG1 4.32Å; Y78-K172 HydrophobicContact CD1-CB 4.1Å; Y78-K172 HydrophobicContact CD1-CG 4Å; Y78-K172 HydrophobicContact CD2-CG 4.19Å; Y78-K172 HydrophobicContact CE1-CB 3.91Å; Y78-K172 HydrophobicContact CE1-CD 4.18Å; Y78-K172 HydrophobicContact CE1-CG 3.85Å; Y78-K172 HydrophobicContact CE2-CD 4.01Å; Y78-K172 HydrophobicContact CE2-CG 4.07Å; Y78-K172 HydrophobicContact CG-CG 4.17Å
79K96.4Very high93.9Very high48 Ų4845.7 Ų45.721%0.20922%0.219CC..EExtended strand (participates in β ladder)trans-85128.1172.9-52.3-173.7-174157.80108R77 F133 V169 S170 E171R77-K79 HydrophobicContact CG-CG 4.48Å; K79-F133 HydrophobicContact CB-CD1 4.02Å; K79-F133 HydrophobicContact CB-CE1 4.02Å; K79-F133 HydrophobicContact CD-CD1 4.37Å; K79-F133 HydrophobicContact CD-CE1 3.73Å; K79-F133 HydrophobicContact CD-CZ 4.49Å; K79-F133 HydrophobicContact CG-CD1 3.67Å; K79-F133 HydrophobicContact CG-CE1 3.54Å; K79-V169 CarbonylContact O-C 3.59Å; K79-V169 WeakPolarHBondContact O-CA 3.46Å; K79-S170 WeakPolarHBondContact CB-OG 3.22Å; K79-S170 PolarHBondContact O-N 2.8Å; K79-S170 PolarHBondContact O-OG 2.73Å; K79-E171 HydrophobicContact CB-CB 4.03Å; K79-E171 HydrophobicContact CD-CB 4Å; K79-E171 HydrophobicContact CG-CB 4.11Å; K79-E171 PolarHBondContact N-O 3.26Å; K79-E171 IonicContact NZ-OE1 3.37Å; K79-E171 PolarHBondContact NZ-OE1 3.45Å; K79-E171 IonicContact NZ-OE2 3.58Å; K79-E171 PolarHBondContact NZ-OE2 3.05Å; K79-E171 PolarHBondContact O-N 3.12Å
80M96.8Very high93.8Very high1 Ų147.7 Ų47.71%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-120.1143.4177.4-58.8-166.879.900109.4E131 L132 V134 A146 L149 Q150 I167 Y168 V169M80-E131 CarbonylContact O-C 3.51Å; M80-E131 WeakPolarHBondContact O-CA 3.42Å; M80-L132 HydrophobicContact CB-CB 4.48Å; M80-L132 PolarHBondContact N-O 3.3Å; M80-L132 PolarHBondContact O-N 3.21Å; M80-V134 HydrophobicContact CG-CG2 4.42Å; M80-V134 HydrophobicContact SD-CG2 3.95Å; M80-A146 HydrophobicContact CE-CB 4.2Å; M80-A146 VanDerWaalsContact CE-O 3.24Å; M80-A146 WeakPolarHBondContact CE-O 3.41Å; M80-A146 HydrophobicContact SD-CB 3.73Å; M80-L149 HydrophobicContact CE-CB 3.98Å; M80-L149 HydrophobicContact SD-CB 4.01Å; M80-L149 HydrophobicContact SD-CD1 3.71Å; M80-Q150 HydrophobicContact CE-CB 4.18Å; M80-I167 HydrophobicContact CB-CG2 4.03Å; M80-I167 HydrophobicContact CE-CG2 3.86Å; M80-I167 HydrophobicContact SD-CG2 4.48Å; M80-Y168 CarbonylContact C-O 3.53Å; M80-Y168 WeakPolarHBondContact CA-O 3.3Å; M80-V169 HydrophobicContact CE-CG2 3.88Å; M80-V169 HydrophobicContact CG-CG2 4.2Å
81R95.2Very high93.8Very high87 Ų8745.9 Ų45.933%0.32822%0.224SC..EExtended strand (participates in β ladder)trans-124.4133.9176.7-68.6-171.5-178.7172.84.7110.7Q128 D130 E131 I167 Y168R81-Q128 VanDerWaalsContact CZ-CD 3.47Å; R81-D130 WeakPolarHBondContact CA-O 3.27Å; R81-E131 HydrophobicContact CG-CB 4.3Å; R81-E131 HydrophobicContact CG-CG 4.15Å; R81-E131 IonicContact CZ-OE1 2.75Å; R81-E131 IonicContact NE-OE1 3.06Å; R81-E131 PolarHBondContact NE-OE1 3.16Å; R81-E131 IonicContact NH2-OE1 3.06Å; R81-E131 PolarHBondContact NH2-OE1 3.28Å; R81-I167 WeakPolarHBondContact O-CA 3.32Å; R81-Y168 PolarHBondContact N-O 2.95Å; R81-Y168 PolarHBondContact O-N 3.05Å
82S94Very high93.8Very high10 Ų1047.5 Ų47.57%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-83.1124165.147.30000109.2D130 G166S82-D130 PolarHBondContact N-O 3.42Å; S82-D130 WeakPolarHBondContact OG-CB 3.27Å; S82-D130 PolarHBondContact OG-O 3.33Å; S82-G166 WeakPolarHBondContact CA-O 3.07Å
83V93.5Very high93.8Very high51 Ų5149.2 Ų49.231%0.30925%0.245SC..EExtended strand (participates in β ladder)trans-122.4136.6177.8-74.50000108.9F163 D165 G166 Y168V83-F163 HydrophobicContact CB-CE2 4.35Å; V83-F163 HydrophobicContact CB-CZ 3.98Å; V83-F163 HydrophobicContact CG2-CE2 4.5Å; V83-F163 HydrophobicContact CG2-CZ 4.32Å; V83-D165 CarbonylContact O-C 3.59Å; V83-D165 VanDerWaalsContact O-CA 3.3Å; V83-D165 WeakPolarHBondContact O-CA 3.47Å; V83-G166 WeakPolarHBondContact CG2-O 3.46Å; V83-G166 PolarHBondContact N-O 2.79Å; V83-G166 PolarHBondContact O-N 2.9Å; V83-Y168 HydrophobicContact CG2-CD2 3.44Å; V83-Y168 VanDerWaalsContact CG2-CD2 3.44Å; V83-Y168 HydrophobicContact CG2-CE2 3.56Å
84Y92.5Very high93.8Very high68 Ų6849.2 Ų49.227%0.26725%0.248SC..  trans-150.8149.2-176.352.9-91.1000111F87 P88 I89 D130 D165Y84-F87 VanDerWaalsContact CB-O 3.24Å; Y84-F87 WeakPolarHBondContact CB-O 3.43Å; Y84-P88 HydrophobicContact CD2-CB 4.33Å; Y84-P88 HydrophobicContact CD2-CG 4.44Å; Y84-P88 HydrophobicContact CE2-CB 3.86Å; Y84-P88 HydrophobicContact CE2-CG 4Å; Y84-I89 HydrophobicContact CD1-CB 4.26Å; Y84-I89 HydrophobicContact CD1-CD1 4.48Å; Y84-I89 HydrophobicContact CD1-CG1 4.19Å; Y84-I89 HydrophobicContact CG-CG1 4.49Å; Y84-D130 PolarHBondContact OH-OD2 3.33Å; Y84-D165 VanDerWaalsContact CA-CG 3.49Å
85A89.6Confident93.7Very high59 Ų5954 Ų5449%0.48827%0.27SS..SBendtrans-99.7-40.5176.200000112.8F163 D165A85-F163 HydrophobicContact CB-CD1 4.07Å; A85-F163 HydrophobicContact CB-CE1 3.86Å; A85-D165 PolarHBondContact N-OD1 3.22Å; A85-D165 PolarHBondContact N-OD2 2.74Å
86H85.6Confident93.4Very high161 Ų16162.2 Ų62.275%0.74531%0.314SS*.SBendtrans-123.5-45.6-170.7-69.282.3000113.3
87F90.7Very high93.1Very high101 Ų10161.9 Ų61.944%0.44331%0.314SS..SBendtrans-105.3114.1-178.4-64.1-69.3000110.2Y84 I89Y84-F87 VanDerWaalsContact CB-O 3.24Å; Y84-F87 WeakPolarHBondContact CB-O 3.43Å; F87-I89 PolarHBondContact O-N 2.82Å
88P91.8Very high93Very high71 Ų7161 Ų6146%0.46132%0.317SS..PPolyproline II helixtrans-59.4127.5176.3-24.334.2000111.8Y84 N104Y84-P88 HydrophobicContact CD2-CB 4.33Å; Y84-P88 HydrophobicContact CD2-CG 4.44Å; Y84-P88 HydrophobicContact CE2-CB 3.86Å; Y84-P88 HydrophobicContact CE2-CG 4Å; P88-N104 PolarHBondContact O-ND2 3.4Å
89I94Very high92.9Very high5 Ų560.9 Ų60.93%0.02632%0.318CS..PPolyproline II helixtrans-87.4120.6176.8-58170.9000107.9Y84 F87 V91 I102 F105Y84-I89 HydrophobicContact CD1-CB 4.26Å; Y84-I89 HydrophobicContact CD1-CD1 4.48Å; Y84-I89 HydrophobicContact CD1-CG1 4.19Å; Y84-I89 HydrophobicContact CG-CG1 4.49Å; F87-I89 PolarHBondContact O-N 2.82Å; I89-V91 HydrophobicContact CG2-CG2 4.07Å; I89-I102 HydrophobicContact CG2-CG2 3.66Å; I89-F105 HydrophobicContact CD1-CD2 3.87Å; I89-F105 HydrophobicContact CD1-CE2 4.2Å; I89-F105 HydrophobicContact CG1-CD2 4.19Å
90N92.9Very high92.9Very high88 Ų8858.6 Ų58.647%0.47131%0.308SS..EExtended strand (participates in β ladder)trans-99.5117.1176.4-171.2-24.4000109.6T92 I102 R103N90-T92 WeakPolarHBondContact OD1-CG2 3.23Å; N90-I102 WeakPolarHBondContact O-CA 3.11Å; N90-R103 HydrophobicContact CB-CB 4.32Å; N90-R103 PolarHBondContact N-O 2.85Å; N90-R103 VanDerWaalsContact N-O 3.07Å; N90-R103 PolarHBondContact O-N 2.88Å
91V94.7Very high92.9Very high28 Ų2859 Ų5917%0.1731%0.309CS..EExtended strand (participates in β ladder)trans-108.4120.8177.6-175.40000108.5I89 V100 L132 I167I89-V91 HydrophobicContact CG2-CG2 4.07Å; V91-V100 HydrophobicContact CG1-CG1 3.78Å; V91-L132 HydrophobicContact CG1-CD1 4.44Å; V91-L132 HydrophobicContact CG1-CD2 4.36Å; V91-I167 HydrophobicContact CG2-CD1 3.78Å
92T94.3Very high92.9Very high33 Ų3354.8 Ų54.820%0.20229%0.294CS..EExtended strand (participates in β ladder)trans-123144.5179.247.90000110.2N90 E101N90-T92 WeakPolarHBondContact OD1-CG2 3.23Å; T92-E101 PolarHBondContact N-O 2.81Å; T92-E101 PolarHBondContact O-N 2.85Å; T92-E101 WeakPolarHBondContact OG1-CB 2.92Å; T92-E101 PolarHBondContact OG1-O 3.23Å
93V95.1Very high92.9Very high37 Ų3759.5 Ų59.522%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-117.3129.9-178.6179.70000108.7V100 A122 I124 L132V93-V100 HydrophobicContact CG2-CG2 4.28Å; V93-A122 HydrophobicContact CG1-CB 4.28Å; V93-A122 WeakPolarHBondContact CG1-O 3.42Å; V93-A122 HydrophobicContact CG2-CB 4.29Å; V93-I124 HydrophobicContact CB-CD1 4.29Å; V93-I124 HydrophobicContact CB-CG1 4.37Å; V93-I124 HydrophobicContact CG2-CD1 3.93Å; V93-I124 HydrophobicContact CG2-CG1 3.64Å; V93-L132 HydrophobicContact CG2-CD1 3.63Å
94H93.2Very high92.8Very high79 Ų7960 Ų6037%0.36631%0.311SS..EExtended strand (participates in β ladder)trans-125.4173.5-178.4-63.2-73.6000111N96 G97 S98 L99 E101H94-N96 VanDerWaalsContact C-N 3.3Å; H94-N96 PolarHBondContact O-N 2.94Å; H94-G97 PolarHBondContact O-N 3.07Å; H94-S98 PolarHBondContact O-N 3.33Å; H94-L99 HydrophobicContact CB-CB 4.34Å; H94-L99 HydrophobicContact CB-CD2 4.42Å; H94-L99 PolarHBondContact N-O 3.1Å; H94-L99 PolarHBondContact O-N 2.94Å; H94-E101 IonicContact CD2-OE2 3.4Å; H94-E101 IonicContact NE2-OE2 2.92Å; H94-E101 PolarHBondContact NE2-OE2 3.23Å
95E91.4Very high92.8Very high118 Ų11857 Ų5755%0.55130%0.299SS*.G310 helixtrans5344.7175.1-60.3178.5179.500112.7G97 S98 L99E95-G97 PolarHBondContact O-N 3.37Å; E95-G97 VanDerWaalsContact O-N 3.14Å; E95-S98 WeakPolarHBondContact CB-OG 3.49Å; E95-S98 PolarHBondContact O-N 3.29Å; E95-S98 PolarHBondContact O-OG 2.92Å; E95-S98 PolarHBondContact OE2-OG 3.3Å; E95-S98 VanDerWaalsContact OE2-OG 3.11Å; E95-L99 HydrophobicContact CB-CB 4.39Å; E95-L99 HydrophobicContact CG-CB 4.34Å
96N89.4Confident92.8Very high171 Ų17156.7 Ų56.791%0.91429%0.289SS*.G310 helixtrans5531.1-178.4-60.7-27.9000114.5H94H94-N96 VanDerWaalsContact C-N 3.3Å; H94-N96 PolarHBondContact O-N 2.94Å
97G90.8Very high92.9Very high3 Ų350.4 Ų50.43%0.03127%0.268CS..G310 helixtrans101.1-2.8176.600000115.1H94 E95 M116 A122H94-G97 PolarHBondContact O-N 3.07Å; E95-G97 PolarHBondContact O-N 3.37Å; E95-G97 VanDerWaalsContact O-N 3.14Å; G97-M116 VanDerWaalsContact O-CG 3.29Å; G97-M116 WeakPolarHBondContact O-CG 3.44Å; G97-A122 WeakPolarHBondContact CA-O 3.33Å; G97-A122 PolarHBondContact O-N 2.63Å
98S94.5Very high92.9Very high45 Ų4548.8 Ų48.832%0.31526%0.262SS..THydrogen-bonded Turntrans-81.6-18.7178.259.50000114.1H94 E95 R115 M116H94-S98 PolarHBondContact O-N 3.33Å; E95-S98 WeakPolarHBondContact CB-OG 3.49Å; E95-S98 PolarHBondContact O-N 3.29Å; E95-S98 PolarHBondContact O-OG 2.92Å; E95-S98 PolarHBondContact OE2-OG 3.3Å; E95-S98 VanDerWaalsContact OE2-OG 3.11Å; S98-R115 CarbonylContact O-C 3.57Å; S98-R115 WeakPolarHBondContact O-CA 3.42Å; S98-M116 PolarHBondContact O-N 2.86Å
99L95.5Very high92.8Very high15 Ų1555.7 Ų55.78%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-127.2122.9-179-177.166.3000111.1H94 E95 E101 R113 R115H94-L99 HydrophobicContact CB-CB 4.34Å; H94-L99 HydrophobicContact CB-CD2 4.42Å; H94-L99 PolarHBondContact N-O 3.1Å; H94-L99 PolarHBondContact O-N 2.94Å; E95-L99 HydrophobicContact CB-CB 4.39Å; E95-L99 HydrophobicContact CG-CB 4.34Å; L99-E101 HydrophobicContact CD2-CG 4.47Å; L99-E101 HydrophobicContact CG-CG 4.43Å; L99-R113 HydrophobicContact CD1-CB 4.16Å; L99-R115 HydrophobicContact CD1-CG 3.79Å
100V96.4Very high92.6Very high0 Ų062 Ų620%031%0.312CS..EExtended strand (participates in β ladder)trans-107.5126.2172.3-179.60000109.1V91 V93 I102 I114 M116 A122 L132 L149V91-V100 HydrophobicContact CG1-CG1 3.78Å; V93-V100 HydrophobicContact CG2-CG2 4.28Å; V100-I102 HydrophobicContact CG1-CG1 4.43Å; V100-I114 PolarHBondContact N-O 2.99Å; V100-I114 PolarHBondContact O-N 3.15Å; V100-M116 HydrophobicContact CB-CE 4.12Å; V100-M116 HydrophobicContact CG2-CE 3.64Å; V100-M116 HydrophobicContact CG2-SD 4.5Å; V100-A122 HydrophobicContact CG2-CB 3.32Å; V100-L132 HydrophobicContact CG1-CD2 4.33Å; V100-L132 HydrophobicContact CG2-CD2 4.49Å; V100-L149 HydrophobicContact CB-CD2 3.99Å; V100-L149 HydrophobicContact CG1-CD2 3.71Å
101E95.4Very high92.6Very high8 Ų860 Ų604%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-109.6126174.7-65.5-164.9150.700109.9T92 H94 L99 R103 L111 R112 R113T92-E101 PolarHBondContact N-O 2.81Å; T92-E101 PolarHBondContact O-N 2.85Å; T92-E101 WeakPolarHBondContact OG1-CB 2.92Å; T92-E101 PolarHBondContact OG1-O 3.23Å; H94-E101 IonicContact CD2-OE2 3.4Å; H94-E101 IonicContact NE2-OE2 2.92Å; H94-E101 PolarHBondContact NE2-OE2 3.23Å; L99-E101 HydrophobicContact CD2-CG 4.47Å; L99-E101 HydrophobicContact CG-CG 4.43Å; E101-R103 IonicContact OE2-CZ 3.11Å; E101-R103 IonicContact OE2-NE 2.71Å; E101-R103 IonicContact OE2-NH2 3.3Å; E101-R103 PolarHBondContact OE2-NH2 3.24Å; E101-L111 HydrophobicContact CB-CD2 4.06Å; E101-L111 HydrophobicContact CB-CG 4.45Å; E101-L111 HydrophobicContact CG-CD2 3.85Å; E101-L111 WeakPolarHBondContact OE2-CD1 3.44Å; E101-R112 WeakPolarHBondContact CA-O 3.11Å; E101-R113 HydrophobicContact CG-CG 4.25Å; E101-R113 IonicContact OE1-CZ 3.46Å; E101-R113 VanDerWaalsContact OE1-CZ 3.23Å; E101-R113 IonicContact OE1-NE 3.65Å; E101-R113 PolarHBondContact OE1-NE 3.2Å; E101-R113 IonicContact OE1-NH2 3.73Å; E101-R113 PolarHBondContact OE1-NH2 2.87Å
102I95.1Very high92.6Very high0 Ų061.6 Ų61.60%030%0.304CS..EExtended strand (participates in β ladder)trans-109.6126.7174.4-53.7164.5000108I89 N90 V100 F105 R112 I114 L149 S152 T153 I167I89-I102 HydrophobicContact CG2-CG2 3.66Å; N90-I102 WeakPolarHBondContact O-CA 3.11Å; V100-I102 HydrophobicContact CG1-CG1 4.43Å; I102-F105 HydrophobicContact CG2-CB 4.42Å; I102-R112 HydrophobicContact CB-CB 4.21Å; I102-R112 PolarHBondContact N-O 2.84Å; I102-R112 PolarHBondContact O-N 2.81Å; I102-I114 HydrophobicContact CD1-CD1 3.59Å; I102-I114 HydrophobicContact CG1-CD1 4.09Å; I102-L149 HydrophobicContact CD1-CD2 4.21Å; I102-S152 WeakPolarHBondContact CD1-OG 2.98Å; I102-T153 HydrophobicContact CD1-CG2 3.87Å; I102-T153 HydrophobicContact CG2-CG2 4.29Å; I102-I167 HydrophobicContact CD1-CD1 3.44Å; I102-I167 VanDerWaalsContact CD1-CD1 3.44Å; I102-I167 HydrophobicContact CG1-CD1 3.86Å; I102-I167 HydrophobicContact CG2-CD1 4.31Å
103R94.1Very high92.6Very high108 Ų10868.1 Ų68.141%0.40833%0.325SS..EExtended strand (participates in β ladder)trans-122.6154.3-178.2-56.9-179.8-174.5-163-1.9110.5N90 E101 F105 L111N90-R103 HydrophobicContact CB-CB 4.32Å; N90-R103 PolarHBondContact N-O 2.85Å; N90-R103 VanDerWaalsContact N-O 3.07Å; N90-R103 PolarHBondContact O-N 2.88Å; E101-R103 IonicContact OE2-CZ 3.11Å; E101-R103 IonicContact OE2-NE 2.71Å; E101-R103 IonicContact OE2-NH2 3.3Å; E101-R103 PolarHBondContact OE2-NH2 3.24Å; R103-F105 PolarHBondContact O-N 2.85Å; R103-L111 HydrophobicContact CG-CD1 3.83Å; R103-L111 HydrophobicContact CG-CG 4.08Å; R103-L111 VanDerWaalsContact NE-CD1 3.3Å
104N91.9Very high92.6Very high62 Ų6267 Ų6733%0.33232%0.317SS..  trans59.425.3174.6-16249.1000114.6P88 L106 G107P88-N104 PolarHBondContact O-ND2 3.4Å; N104-L106 PolarHBondContact O-N 3.03Å; N104-G107 PolarHBondContact O-N 3.47Å; N104-G107 WeakPolarHBondContact OD1-CA 3.3Å
105F91.8Very high92.7Very high5 Ų572.1 Ų72.12%0.02233%0.334CS..G310 helixtrans-64.6119.8174.4-180-114.3000109.4I89 I102 R103 G107 E108 T153 V155 D165I89-F105 HydrophobicContact CD1-CD2 3.87Å; I89-F105 HydrophobicContact CD1-CE2 4.2Å; I89-F105 HydrophobicContact CG1-CD2 4.19Å; I102-F105 HydrophobicContact CG2-CB 4.42Å; R103-F105 PolarHBondContact O-N 2.85Å; F105-G107 PolarHBondContact O-N 3.02Å; F105-G107 VanDerWaalsContact O-N 3.14Å; F105-E108 WeakPolarHBondContact O-CB 3.47Å; F105-E108 WeakPolarHBondContact O-CG 3.28Å; F105-E108 PolarHBondContact O-N 2.81Å; F105-T153 HydrophobicContact CD2-CG2 3.92Å; F105-T153 HydrophobicContact CE2-CG2 4.04Å; F105-T153 HydrophobicContact CG-CG2 4.2Å; F105-T153 HydrophobicContact CZ-CG2 4.38Å; F105-T153 WeakPolarHBondContact CZ-O 3.42Å; F105-V155 HydrophobicContact CE1-CG2 4.23Å; F105-V155 HydrophobicContact CE2-CG2 4.49Å; F105-V155 HydrophobicContact CZ-CG2 3.56Å; F105-D165 HydrophobicContact CE2-CB 4.47Å
106L90.2Very high92.9Very high52 Ų5267.3 Ų67.327%0.27231%0.311SS..G310 helixtrans52.728.4-173.4-61.6179.3000114.6N104 E108 V155 D165N104-L106 PolarHBondContact O-N 3.03Å; L106-E108 PolarHBondContact O-N 3.46Å; L106-V155 HydrophobicContact CD1-CG1 4.17Å; L106-V155 HydrophobicContact CD1-CG2 3.81Å; L106-D165 HydrophobicContact CD2-CB 3.94Å
107G87.8Confident93.2Very high30 Ų3060.8 Ų60.831%0.30928%0.278SS..G310 helixtrans75.58.9-177.500000114.3N104 F105N104-G107 PolarHBondContact O-N 3.47Å; N104-G107 WeakPolarHBondContact OD1-CA 3.3Å; F105-G107 PolarHBondContact O-N 3.02Å; F105-G107 VanDerWaalsContact O-N 3.14Å
108E89.8Confident93.2Very high67 Ų6770 Ų7031%0.31332%0.32SS..  trans-65.7136.5175.3-66.4174169.900110.9F105 L106 F110 R112F105-E108 WeakPolarHBondContact O-CB 3.47Å; F105-E108 WeakPolarHBondContact O-CG 3.28Å; F105-E108 PolarHBondContact O-N 2.81Å; L106-E108 PolarHBondContact O-N 3.46Å; E108-F110 PolarHBondContact O-N 3.47Å; E108-R112 IonicContact OE1-NH2 3.23Å; E108-R112 PolarHBondContact OE1-NH2 3.23Å; E108-R112 IonicContact OE2-CZ 2.8Å; E108-R112 IonicContact OE2-NE 2.89Å; E108-R112 PolarHBondContact OE2-NE 2.84Å; E108-R112 IonicContact OE2-NH2 3.63Å; E108-R112 PolarHBondContact OE2-NH2 3.32Å
109K90.6Very high93.2Very high216 Ų21670.8 Ų70.894%0.93934%0.336SS*.  trans-77-9.5169.5-64.8-174179.9-178.60113
110F90.2Very high93.2Very high138 Ų13870.3 Ų70.361%0.60533%0.334SS*.PPolyproline II helixtrans-75.8136.5-179.2178.4-106.3000111.1E108 R112E108-F110 PolarHBondContact O-N 3.47Å; F110-R112 HydrophobicContact CD1-CG 3.79Å; F110-R112 HydrophobicContact CE1-CG 3.76Å
111L91.6Very high93.2Very high45 Ų4573.2 Ų73.224%0.23635%0.352CS..PPolyproline II helixtrans-97.9119.7179.2-171.3149.8000109.9E101 R103 R113E101-L111 HydrophobicContact CB-CD2 4.06Å; E101-L111 HydrophobicContact CB-CG 4.45Å; E101-L111 HydrophobicContact CG-CD2 3.85Å; E101-L111 WeakPolarHBondContact OE2-CD1 3.44Å; R103-L111 HydrophobicContact CG-CD1 3.83Å; R103-L111 HydrophobicContact CG-CG 4.08Å; R103-L111 VanDerWaalsContact NE-CD1 3.3Å; L111-R113 HydrophobicContact CD2-CG 3.24Å
112R94.6Very high93.2Very high61 Ų6173 Ų7323%0.2335%0.351CS..EExtended strand (participates in β ladder)trans-91.4117.8179.2-63.5169.7-178.4-86.5-6.7108.6E101 I102 E108 F110 I114 S152E101-R112 WeakPolarHBondContact CA-O 3.11Å; I102-R112 HydrophobicContact CB-CB 4.21Å; I102-R112 PolarHBondContact N-O 2.84Å; I102-R112 PolarHBondContact O-N 2.81Å; E108-R112 IonicContact OE1-NH2 3.23Å; E108-R112 PolarHBondContact OE1-NH2 3.23Å; E108-R112 IonicContact OE2-CZ 2.8Å; E108-R112 IonicContact OE2-NE 2.89Å; E108-R112 PolarHBondContact OE2-NE 2.84Å; E108-R112 IonicContact OE2-NH2 3.63Å; E108-R112 PolarHBondContact OE2-NH2 3.32Å; F110-R112 HydrophobicContact CD1-CG 3.79Å; F110-R112 HydrophobicContact CE1-CG 3.76Å; R112-I114 HydrophobicContact CB-CD1 4.25Å; R112-S152 WeakPolarHBondContact CD-O 3.26Å; R112-S152 PolarHBondContact NH1-O 2.91Å
113R95.2Very high93.2Very high170 Ų17076 Ų7664%0.64237%0.369SS*.EExtended strand (participates in β ladder)trans-104.3123.4178.5-65.6-167.8163.6159.5-2.3110.4L99 E101 L111L99-R113 HydrophobicContact CD1-CB 4.16Å; E101-R113 HydrophobicContact CG-CG 4.25Å; E101-R113 IonicContact OE1-CZ 3.46Å; E101-R113 VanDerWaalsContact OE1-CZ 3.23Å; E101-R113 IonicContact OE1-NE 3.65Å; E101-R113 PolarHBondContact OE1-NE 3.2Å; E101-R113 IonicContact OE1-NH2 3.73Å; E101-R113 PolarHBondContact OE1-NH2 2.87Å; L111-R113 HydrophobicContact CD2-CG 3.24Å
114I95Very high93.1Very high13 Ų1374.9 Ų74.97%0.06737%0.371CS..EExtended strand (participates in β ladder)trans-121.8112.7177.9-56.686.2000107.9V100 I102 R112 M116 R148 L149V100-I114 PolarHBondContact N-O 2.99Å; V100-I114 PolarHBondContact O-N 3.15Å; I102-I114 HydrophobicContact CD1-CD1 3.59Å; I102-I114 HydrophobicContact CG1-CD1 4.09Å; R112-I114 HydrophobicContact CB-CD1 4.25Å; I114-M116 HydrophobicContact CB-CE 4.26Å; I114-M116 HydrophobicContact CG2-CE 3.7Å; I114-R148 HydrophobicContact CG2-CB 4.09Å; I114-L149 HydrophobicContact CB-CD2 3.85Å; I114-L149 HydrophobicContact CD1-CD2 3.97Å; I114-L149 HydrophobicContact CG1-CD2 3.94Å; I114-L149 HydrophobicContact CG2-CD2 4.03Å; I114-L149 HydrophobicContact CG2-CG 4.22Å
115R95.6Very high93Very high188 Ų18872.4 Ų72.471%0.70936%0.358SS*.EExtended strand (participates in β ladder)trans-81.1130.6172.5-73.7-178175.5162.4-1110.3S98 L99S98-R115 CarbonylContact O-C 3.57Å; S98-R115 WeakPolarHBondContact O-CA 3.42Å; L99-R115 HydrophobicContact CD1-CG 3.79Å
116M95.3Very high92.7Very high16 Ų1678.9 Ų78.98%0.07940%0.398CS..PPolyproline II helixtrans-72.2143.1171.8-61.9-58.6112.100109.6G97 S98 V100 I114 V120 A122 V134 A145 L149G97-M116 VanDerWaalsContact O-CG 3.29Å; G97-M116 WeakPolarHBondContact O-CG 3.44Å; S98-M116 PolarHBondContact O-N 2.86Å; V100-M116 HydrophobicContact CB-CE 4.12Å; V100-M116 HydrophobicContact CG2-CE 3.64Å; V100-M116 HydrophobicContact CG2-SD 4.5Å; I114-M116 HydrophobicContact CB-CE 4.26Å; I114-M116 HydrophobicContact CG2-CE 3.7Å; M116-V120 HydrophobicContact CB-CB 4.47Å; M116-V120 HydrophobicContact CB-CG1 4.44Å; M116-V120 WeakPolarHBondContact CB-O 3.49Å; M116-V120 HydrophobicContact SD-CG1 4.32Å; M116-A122 HydrophobicContact CG-CB 4.14Å; M116-A122 HydrophobicContact SD-CB 4.25Å; M116-V134 HydrophobicContact SD-CG1 4.49Å; M116-A145 HydrophobicContact SD-CB 3.79Å; M116-L149 HydrophobicContact CE-CD1 4.03Å; M116-L149 HydrophobicContact CE-CD2 4.24Å; M116-L149 HydrophobicContact CE-CG 4.14Å
117P94.8Very high92.6Very high34 Ų3484.8 Ų84.822%0.22143%0.426CS..PPolyproline II helixtrans-67.2163.6170.829.8-32.6000110.8G119 V120 A141 A145P117-G119 PolarHBondContact O-N 2.8Å; P117-V120 HydrophobicContact CG-CB 3.92Å; P117-V120 HydrophobicContact CG-CG2 3.77Å; P117-V120 PolarHBondContact O-N 2.91Å; P117-V120 VanDerWaalsContact O-N 3.15Å; P117-A141 HydrophobicContact CB-CB 4.43Å; P117-A141 HydrophobicContact CG-CB 3.96Å; P117-A145 HydrophobicContact CG-CB 4.15Å
118E92.6Very high92.6Very high196 Ų19687.1 Ų87.192%0.91643%0.429SS*.THydrogen-bonded Turntrans-56138.3177.8-169.2-176.7169.300111.9V120E118-V120 PolarHBondContact O-N 2.78Å
119G93Very high92.6Very high62 Ų6291.7 Ų91.764%0.63945%0.448SS*.THydrogen-bonded Turntrans73.95.8-178.900000114.9P117 G136P117-G119 PolarHBondContact O-N 2.8Å; G119-G136 WeakPolarHBondContact O-CA 3.44Å
120V96.5Very high92.6Very high6 Ų684.1 Ų84.14%0.03642%0.418CS..EExtended strand (participates in β ladder)trans-114.3131.9173.2178.90000109.9M116 P117 E118 V134 E135 A141 V142 A145M116-V120 HydrophobicContact CB-CB 4.47Å; M116-V120 HydrophobicContact CB-CG1 4.44Å; M116-V120 WeakPolarHBondContact CB-O 3.49Å; M116-V120 HydrophobicContact SD-CG1 4.32Å; P117-V120 HydrophobicContact CG-CB 3.92Å; P117-V120 HydrophobicContact CG-CG2 3.77Å; P117-V120 PolarHBondContact O-N 2.91Å; P117-V120 VanDerWaalsContact O-N 3.15Å; E118-V120 PolarHBondContact O-N 2.78Å; V120-V134 HydrophobicContact CG1-CG1 3.49Å; V120-V134 VanDerWaalsContact CG1-CG1 3.49Å; V120-E135 CarbonylContact C-O 3.56Å; V120-E135 WeakPolarHBondContact CA-O 3.24Å; V120-E135 WeakPolarHBondContact CG1-O 3.17Å; V120-A141 HydrophobicContact CG2-CB 3.49Å; V120-A141 VanDerWaalsContact CG2-CB 3.49Å; V120-V142 HydrophobicContact CG1-CG2 4.39Å; V120-V142 HydrophobicContact CG2-CG2 3.91Å; V120-A145 HydrophobicContact CG1-CB 4.03Å
121T95.9Very high92.9Very high61 Ų6178 Ų7837%0.37439%0.391SS..EExtended strand (participates in β ladder)trans-122.8134.6179.151.30000110.1E135T121-E135 PolarHBondContact N-O 2.68Å; T121-E135 PolarHBondContact O-N 3.42Å
122A96.1Very high93Very high2 Ų276.2 Ų76.22%0.01738%0.382CS..EExtended strand (participates in β ladder)trans-91.4136.716900000109.9V93 G97 V100 M116 L132 F133V93-A122 HydrophobicContact CG1-CB 4.28Å; V93-A122 WeakPolarHBondContact CG1-O 3.42Å; V93-A122 HydrophobicContact CG2-CB 4.29Å; G97-A122 WeakPolarHBondContact CA-O 3.33Å; G97-A122 PolarHBondContact O-N 2.63Å; V100-A122 HydrophobicContact CG2-CB 3.32Å; M116-A122 HydrophobicContact CG-CB 4.14Å; M116-A122 HydrophobicContact SD-CB 4.25Å; A122-L132 HydrophobicContact CB-CD1 4.25Å; A122-F133 CarbonylContact C-O 3.58Å; A122-F133 VanDerWaalsContact CA-O 3.3Å; A122-F133 WeakPolarHBondContact CA-O 3.37Å
123V94.4Very high93.1Very high64 Ų6474.7 Ų74.739%0.38838%0.377SS..EExtended strand (participates in β ladder)trans-137.2130.8-179.9-177.10000108.8F133V123-F133 PolarHBondContact N-O 2.88Å; V123-F133 PolarHBondContact O-N 3.21Å
124I92.7Very high93.2Very high85 Ų8566.6 Ų66.644%0.43635%0.346SS..EExtended strand (participates in β ladder)trans-76.6130.7174.4-62.7169000108.4V93 L132V93-I124 HydrophobicContact CB-CD1 4.29Å; V93-I124 HydrophobicContact CB-CG1 4.37Å; V93-I124 HydrophobicContact CG2-CD1 3.93Å; V93-I124 HydrophobicContact CG2-CG1 3.64Å; I124-L132 HydrophobicContact CG1-CD1 4.08Å
125S88.3Confident93.2Very high9 Ų967.2 Ų67.26%0.06335%0.349CS..  trans-68.2130.1176.8-175.10000110M127 Q128 E131 F133S125-M127 PolarHBondContact OG-N 2.98Å; S125-Q128 PolarHBondContact OG-N 2.96Å; S125-E131 WeakPolarHBondContact CB-O 3.35Å; S125-E131 PolarHBondContact N-O 3.43Å; S125-E131 PolarHBondContact OG-OE2 3.06Å; S125-E131 VanDerWaalsContact OG-OE2 3.11Å; S125-F133 VanDerWaalsContact OG-CZ 3.23Å; S125-F133 WeakPolarHBondContact OG-CZ 3.42Å
126T86.8Confident93.3Very high141 Ų14158.5 Ų58.587%0.86532%0.318SS*.SBendtrans-82.6-22.2171.252.50000112.2
127M87.2Confident93.3Very high176 Ų17659.2 Ų59.287%0.86732%0.322SS*.SBendtrans-80.9-31.9-173.2-61-67.2-86.500112S125S125-M127 PolarHBondContact OG-N 2.98Å
128Q89Confident93.4Very high80 Ų8060.4 Ų60.437%0.37433%0.326SS..SBendtrans-134.9129-176-172.4148.48.800110.7R81 S125 E131R81-Q128 VanDerWaalsContact CZ-CD 3.47Å; S125-Q128 PolarHBondContact OG-N 2.96Å; Q128-E131 HydrophobicContact CB-CB 4.11Å; Q128-E131 HydrophobicContact CG-CB 4.3Å
129K89.4Confident93.6Very high163 Ų16352.7 Ų52.771%0.70929%0.291SS*.THydrogen-bonded Turntrans-60.8144.8175.2-170.5-173.2170.3-169.50110.2E131K129-E131 PolarHBondContact O-N 2.97Å
130D91.5Very high93.8Very high56 Ų5653.7 Ų53.730%0.29928%0.279SS..THydrogen-bonded Turntrans62.125.2173-60.9-22.3000113.2R81 S82 Y84R81-D130 WeakPolarHBondContact CA-O 3.27Å; S82-D130 PolarHBondContact N-O 3.42Å; S82-D130 WeakPolarHBondContact OG-CB 3.27Å; S82-D130 PolarHBondContact OG-O 3.33Å; Y84-D130 PolarHBondContact OH-OD2 3.33Å
131E94.7Very high93.8Very high11 Ų1154.3 Ų54.35%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-115.1132.6178.6-173174.8-105.700111.8M80 R81 S125 Q128 K129 F133M80-E131 CarbonylContact O-C 3.51Å; M80-E131 WeakPolarHBondContact O-CA 3.42Å; R81-E131 HydrophobicContact CG-CB 4.3Å; R81-E131 HydrophobicContact CG-CG 4.15Å; R81-E131 IonicContact CZ-OE1 2.75Å; R81-E131 IonicContact NE-OE1 3.06Å; R81-E131 PolarHBondContact NE-OE1 3.16Å; R81-E131 IonicContact NH2-OE1 3.06Å; R81-E131 PolarHBondContact NH2-OE1 3.28Å; S125-E131 WeakPolarHBondContact CB-O 3.35Å; S125-E131 PolarHBondContact N-O 3.43Å; S125-E131 PolarHBondContact OG-OE2 3.06Å; S125-E131 VanDerWaalsContact OG-OE2 3.11Å; Q128-E131 HydrophobicContact CB-CB 4.11Å; Q128-E131 HydrophobicContact CG-CB 4.3Å; K129-E131 PolarHBondContact O-N 2.97Å; E131-F133 HydrophobicContact CG-CD1 4.32Å; E131-F133 HydrophobicContact CG-CE1 3.75Å; E131-F133 VanDerWaalsContact OE2-CE1 3.23Å; E131-F133 WeakPolarHBondContact OE2-CE1 3.43Å; E131-F133 WeakPolarHBondContact OE2-CZ 3.3Å
132L95.1Very high93.8Very high7 Ų751.4 Ų51.44%0.03727%0.267CS..EExtended strand (participates in β ladder)trans-121.5131.5-179.9-178.277.7000109.6M80 V91 V93 V100 A122 I124 V134 L149M80-L132 HydrophobicContact CB-CB 4.48Å; M80-L132 PolarHBondContact N-O 3.3Å; M80-L132 PolarHBondContact O-N 3.21Å; V91-L132 HydrophobicContact CG1-CD1 4.44Å; V91-L132 HydrophobicContact CG1-CD2 4.36Å; V93-L132 HydrophobicContact CG2-CD1 3.63Å; V100-L132 HydrophobicContact CG1-CD2 4.33Å; V100-L132 HydrophobicContact CG2-CD2 4.49Å; A122-L132 HydrophobicContact CB-CD1 4.25Å; I124-L132 HydrophobicContact CG1-CD1 4.08Å; L132-V134 HydrophobicContact CD2-CG2 4.46Å; L132-L149 HydrophobicContact CD2-CD1 3.75Å
133F96.1Very high93.9Very high28 Ų2853.4 Ų53.412%0.12328%0.281CS..EExtended strand (participates in β ladder)trans-97.4131.4170.9-57.2-29000110.3R77 K79 A122 V123 S125 E131 E135R77-F133 HydrophobicContact CG-CB 4.28Å; R77-F133 HydrophobicContact CG-CG 4.4Å; K79-F133 HydrophobicContact CB-CD1 4.02Å; K79-F133 HydrophobicContact CB-CE1 4.02Å; K79-F133 HydrophobicContact CD-CD1 4.37Å; K79-F133 HydrophobicContact CD-CE1 3.73Å; K79-F133 HydrophobicContact CD-CZ 4.49Å; K79-F133 HydrophobicContact CG-CD1 3.67Å; K79-F133 HydrophobicContact CG-CE1 3.54Å; A122-F133 CarbonylContact C-O 3.58Å; A122-F133 VanDerWaalsContact CA-O 3.3Å; A122-F133 WeakPolarHBondContact CA-O 3.37Å; V123-F133 PolarHBondContact N-O 2.88Å; V123-F133 PolarHBondContact O-N 3.21Å; S125-F133 VanDerWaalsContact OG-CZ 3.23Å; S125-F133 WeakPolarHBondContact OG-CZ 3.42Å; E131-F133 HydrophobicContact CG-CD1 4.32Å; E131-F133 HydrophobicContact CG-CE1 3.75Å; E131-F133 VanDerWaalsContact OE2-CE1 3.23Å; E131-F133 WeakPolarHBondContact OE2-CE1 3.43Å; E131-F133 WeakPolarHBondContact OE2-CZ 3.3Å; F133-E135 HydrophobicContact CB-CG 4.27Å
134V96.9Very high94Very high0 Ų051.7 Ų51.70%028%0.276CS..EExtended strand (participates in β ladder)trans-108.2114.5168.1-176.40000107.1R77 Y78 M80 M116 V120 L132 V142 A145 L149R77-V134 WeakPolarHBondContact CA-O 3.32Å; Y78-V134 PolarHBondContact N-O 2.96Å; Y78-V134 PolarHBondContact O-N 2.9Å; M80-V134 HydrophobicContact CG-CG2 4.42Å; M80-V134 HydrophobicContact SD-CG2 3.95Å; M116-V134 HydrophobicContact SD-CG1 4.49Å; V120-V134 HydrophobicContact CG1-CG1 3.49Å; V120-V134 VanDerWaalsContact CG1-CG1 3.49Å; L132-V134 HydrophobicContact CD2-CG2 4.46Å; V134-V142 HydrophobicContact CG1-CG1 4.15Å; V134-A145 HydrophobicContact CG1-CB 3.87Å; V134-L149 HydrophobicContact CG2-CD1 3.81Å
135E96.4Very high94.2Very high27 Ų2747.7 Ų47.713%0.12626%0.255CS..EExtended strand (participates in β ladder)trans-120.8143.3-170.6-69.8-174.8-165.900111.5Y76 R77 V120 T121 F133 I175Y76-E135 WeakPolarHBondContact O-CA 3.32Å; R77-E135 HydrophobicContact CB-CG 4.22Å; R77-E135 HydrophobicContact CG-CG 4.01Å; R77-E135 IonicContact CZ-OE1 2.76Å; R77-E135 IonicContact NE-OE1 3.22Å; R77-E135 PolarHBondContact NE-OE1 3.12Å; R77-E135 IonicContact NH2-OE1 3.38Å; R77-E135 PolarHBondContact NH2-OE1 2.98Å; R77-E135 IonicContact NH2-OE2 2.69Å; V120-E135 CarbonylContact C-O 3.56Å; V120-E135 WeakPolarHBondContact CA-O 3.24Å; V120-E135 WeakPolarHBondContact CG1-O 3.17Å; T121-E135 PolarHBondContact N-O 2.68Å; T121-E135 PolarHBondContact O-N 3.42Å; F133-E135 HydrophobicContact CB-CG 4.27Å; E135-I175 HydrophobicContact CB-CD1 3.88Å; E135-I175 HydrophobicContact CG-CD1 4.05Å; E135-I175 HydrophobicContact CG-CG1 4.24Å
136G96.3Very high94.6Very high5 Ų547.3 Ų47.35%0.05225%0.253CS..EExtended strand (participates in β ladder)trans178.1170.2175.600000112.3Y76 G119 V142Y76-G136 PolarHBondContact N-O 3.06Å; Y76-G136 PolarHBondContact O-N 3.02Å; G119-G136 WeakPolarHBondContact O-CA 3.44Å; G136-V142 VanDerWaalsContact CA-CG2 3.5Å
137N96.3Very high95.1Very high30 Ų3042.3 Ų42.316%0.1623%0.226CC..SBendtrans-87.4-28.4179.6-66.8-21.2000112.4R21 L24 G71 Y76R21-N137 PolarHBondContact NE-OD1 3.3Å; R21-N137 PolarHBondContact O-ND2 3.31Å; L24-N137 HydrophobicContact CD1-CB 4.41Å; L24-N137 HydrophobicContact CD2-CB 4.31Å; G71-N137 WeakPolarHBondContact CA-O 3.13Å; Y76-N137 WeakPolarHBondContact CD2-O 3.3Å
138D96.5Very high95.5Very high59 Ų5940.3 Ų40.332%0.31621%0.209SC..  trans-92.5117.6177.6-173.2-8.8000111.2L24 E140 A141 V142L24-D138 HydrophobicContact CD2-CB 4.01Å; D138-E140 VanDerWaalsContact C-N 3.25Å; D138-E140 PolarHBondContact O-N 3.4Å; D138-E140 PolarHBondContact OD1-N 2.91Å; D138-A141 HydrophobicContact CB-CB 3.91Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-V142 WeakPolarHBondContact O-CG2 3.32Å; D138-V142 PolarHBondContact O-N 3.17Å
139L96.5Very high95.8Very high34 Ų3436.5 Ų36.518%0.17819%0.191CC..Hα-helixtrans-56.6-38.2177.6-176.562.1000112.7N67 Y76 Y78 S143N67-L139 HydrophobicContact CB-CB 4.47Å; N67-L139 HydrophobicContact CB-CD2 4.2Å; N67-L139 WeakPolarHBondContact ND2-CD2 3.37Å; Y76-L139 HydrophobicContact CD1-CD1 3.68Å; Y76-L139 HydrophobicContact CD2-CB 3.86Å; Y76-L139 HydrophobicContact CD2-CD1 4.28Å; Y76-L139 HydrophobicContact CE1-CB 4.4Å; Y76-L139 HydrophobicContact CE1-CD1 3.8Å; Y76-L139 HydrophobicContact CE1-CD2 4.48Å; Y76-L139 HydrophobicContact CE1-CG 4.45Å; Y76-L139 HydrophobicContact CE2-CB 3.61Å; Y76-L139 HydrophobicContact CE2-CD1 4.41Å; Y76-L139 HydrophobicContact CG-CB 4.36Å; Y76-L139 HydrophobicContact CG-CD1 3.9Å; Y78-L139 HydrophobicContact CE1-CD1 3.98Å; Y78-L139 VanDerWaalsContact OH-CD1 3.3Å; Y78-L139 WeakPolarHBondContact OH-CD1 3.13Å; L139-S143 WeakPolarHBondContact O-CB 3.35Å; L139-S143 PolarHBondContact O-N 3.43Å
140E96.2Very high96.1Very high84 Ų8432.2 Ų32.239%0.39317%0.174SC..Hα-helixtrans-72.6-39.6-177.5-73.6179.7-167.100111.6R26 H64 D138 G144R26-E140 IonicContact CZ-OE1 2.68Å; R26-E140 IonicContact CZ-OE2 3.15Å; R26-E140 IonicContact NH1-OE1 3.56Å; R26-E140 PolarHBondContact NH1-OE1 3.41Å; R26-E140 IonicContact NH1-OE2 2.8Å; R26-E140 PolarHBondContact NH1-OE2 2.89Å; R26-E140 VanDerWaalsContact NH1-OE2 3.15Å; R26-E140 VanDerWaalsContact NH2-CD 3.29Å; R26-E140 IonicContact NH2-OE1 2.88Å; R26-E140 PolarHBondContact NH2-OE1 2.94Å; R26-E140 IonicContact NH2-OE2 3.92Å; R26-E140 PolarHBondContact NH2-OE2 3.41Å; H64-E140 IonicContact CE1-OE1 3.17Å; H64-E140 PolarHBondContact CE1-OE1 3.24Å; H64-E140 IonicContact ND1-OE1 2.78Å; H64-E140 PolarHBondContact ND1-OE1 3.5Å; H64-E140 IonicContact NE2-OE1 2.91Å; D138-E140 VanDerWaalsContact C-N 3.25Å; D138-E140 PolarHBondContact O-N 3.4Å; D138-E140 PolarHBondContact OD1-N 2.91Å; E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 2.98Å
141A96.6Very high96.2Very high18 Ų1836.1 Ų36.115%0.14919%0.19CC..Hα-helixtrans-63.9-47.4174.800000110.5P117 V120 D138 G144 A145P117-A141 HydrophobicContact CB-CB 4.43Å; P117-A141 HydrophobicContact CG-CB 3.96Å; V120-A141 HydrophobicContact CG2-CB 3.49Å; V120-A141 VanDerWaalsContact CG2-CB 3.49Å; D138-A141 HydrophobicContact CB-CB 3.91Å; D138-A141 PolarHBondContact O-N 2.91Å; A141-G144 PolarHBondContact O-N 3.37Å; A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 3.15Å
142V97.3Very high96.2Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-63.1-49.9178.5171.80000111.1Y78 V120 V134 G136 D138 G144 A145 A146Y78-V142 HydrophobicContact CD1-CG1 3.86Å; Y78-V142 HydrophobicContact CD2-CG1 4.34Å; Y78-V142 HydrophobicContact CE1-CG1 4.33Å; Y78-V142 HydrophobicContact CG-CG1 3.87Å; V120-V142 HydrophobicContact CG1-CG2 4.39Å; V120-V142 HydrophobicContact CG2-CG2 3.91Å; V134-V142 HydrophobicContact CG1-CG1 4.15Å; G136-V142 VanDerWaalsContact CA-CG2 3.5Å; D138-V142 WeakPolarHBondContact O-CG2 3.32Å; D138-V142 PolarHBondContact O-N 3.17Å; V142-G144 VanDerWaalsContact C-N 3.33Å; V142-G144 PolarHBondContact O-N 2.9Å; V142-A145 PolarHBondContact O-N 3.11Å; V142-A146 WeakPolarHBondContact O-CB 3.47Å; V142-A146 PolarHBondContact O-N 3.36Å
143S96.8Very high96Very high45 Ų4536.4 Ų36.432%0.31519%0.194SC..Hα-helixtrans-66-37179.8-170.50000112L139 A147L139-S143 WeakPolarHBondContact O-CB 3.35Å; L139-S143 PolarHBondContact O-N 3.43Å; S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.48Å; S143-A147 PolarHBondContact O-N 2.99Å
144G96.9Very high95.8Very high28 Ų2839.9 Ų39.929%0.28921%0.213SC..Hα-helixtrans-67-40.717600000112E140 A141 V142 A147 R148E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 2.98Å; A141-G144 PolarHBondContact O-N 3.37Å; V142-G144 VanDerWaalsContact C-N 3.33Å; V142-G144 PolarHBondContact O-N 2.9Å; G144-A147 PolarHBondContact O-N 3.32Å; G144-R148 WeakPolarHBondContact O-CG 3.36Å; G144-R148 PolarHBondContact O-N 3.19Å
145A96.8Very high95.5Very high0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-62.5-48.5174.500000111.8M116 P117 V120 V134 A141 V142 A147 R148 L149M116-A145 HydrophobicContact SD-CB 3.79Å; P117-A145 HydrophobicContact CG-CB 4.15Å; V120-A145 HydrophobicContact CG1-CB 4.03Å; V134-A145 HydrophobicContact CG1-CB 3.87Å; A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 3.15Å; V142-A145 PolarHBondContact O-N 3.11Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 2.93Å; A145-R148 PolarHBondContact O-N 3.24Å; A145-L149 PolarHBondContact O-N 3.42Å
146A96.9Very high95.1Very high1 Ų149.2 Ų49.21%0.00825%0.25CS..Hα-helixtrans-60.2-41.4175.500000112.1Y78 M80 V142 R148 L149 Q150 V169Y78-A146 HydrophobicContact CD2-CB 3.82Å; M80-A146 HydrophobicContact CE-CB 4.2Å; M80-A146 VanDerWaalsContact CE-O 3.24Å; M80-A146 WeakPolarHBondContact CE-O 3.41Å; M80-A146 HydrophobicContact SD-CB 3.73Å; V142-A146 WeakPolarHBondContact O-CB 3.47Å; V142-A146 PolarHBondContact O-N 3.36Å; A146-R148 PolarHBondContact O-N 3.32Å; A146-L149 PolarHBondContact O-N 2.88Å; A146-Q150 PolarHBondContact O-N 3.29Å; A146-V169 HydrophobicContact CB-CG2 4.17Å
147A96.9Very high94.7Very high37 Ų3759.5 Ų59.531%0.30629%0.293SS..Hα-helixtrans-63-41.5176.100000112.2S143 G144 A145 L149 Q150 Q151S143-A147 VanDerWaalsContact O-CB 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.48Å; S143-A147 PolarHBondContact O-N 2.99Å; G144-A147 PolarHBondContact O-N 3.32Å; A145-A147 VanDerWaalsContact C-N 3.32Å; A145-A147 PolarHBondContact O-N 2.93Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 2.83Å; A147-Q150 PolarHBondContact O-N 2.95Å; A147-Q151 VanDerWaalsContact O-CB 3.28Å; A147-Q151 WeakPolarHBondContact O-CB 3.4Å; A147-Q151 WeakPolarHBondContact O-CG 3.42Å; A147-Q151 PolarHBondContact O-N 2.95Å
148R96.4Very high94.2Very high133 Ų13364.1 Ų64.150%0.50231%0.312SS..Hα-helixtrans-62.8-41.2175.7-73.3175.2-168.2155.44.2111.9I114 G144 A145 A146 Q151 S152I114-R148 HydrophobicContact CG2-CB 4.09Å; G144-R148 WeakPolarHBondContact O-CG 3.36Å; G144-R148 PolarHBondContact O-N 3.19Å; A145-R148 PolarHBondContact O-N 3.24Å; A146-R148 PolarHBondContact O-N 3.32Å; R148-Q151 PolarHBondContact O-N 3.39Å; R148-S152 WeakPolarHBondContact O-CB 3.44Å; R148-S152 PolarHBondContact O-N 2.99Å
149L95.5Very high93.9Very high0 Ų064.3 Ų64.30%031%0.313CS..Hα-helixtrans-60.1-51.8175.1-75.5168.1000111M80 V100 I102 I114 M116 L132 V134 A145 A146 A147 Q151 S152 T153M80-L149 HydrophobicContact CE-CB 3.98Å; M80-L149 HydrophobicContact SD-CB 4.01Å; M80-L149 HydrophobicContact SD-CD1 3.71Å; V100-L149 HydrophobicContact CB-CD2 3.99Å; V100-L149 HydrophobicContact CG1-CD2 3.71Å; I102-L149 HydrophobicContact CD1-CD2 4.21Å; I114-L149 HydrophobicContact CB-CD2 3.85Å; I114-L149 HydrophobicContact CD1-CD2 3.97Å; I114-L149 HydrophobicContact CG1-CD2 3.94Å; I114-L149 HydrophobicContact CG2-CD2 4.03Å; I114-L149 HydrophobicContact CG2-CG 4.22Å; M116-L149 HydrophobicContact CE-CD1 4.03Å; M116-L149 HydrophobicContact CE-CD2 4.24Å; M116-L149 HydrophobicContact CE-CG 4.14Å; L132-L149 HydrophobicContact CD2-CD1 3.75Å; V134-L149 HydrophobicContact CG2-CD1 3.81Å; A145-L149 PolarHBondContact O-N 3.42Å; A146-L149 PolarHBondContact O-N 2.88Å; A147-L149 VanDerWaalsContact C-N 3.35Å; A147-L149 PolarHBondContact O-N 2.83Å; L149-Q151 PolarHBondContact O-N 2.78Å; L149-S152 WeakPolarHBondContact O-CB 3.21Å; L149-S152 PolarHBondContact O-N 2.88Å; L149-S152 PolarHBondContact O-OG 3.45Å; L149-T153 PolarHBondContact O-N 3.11Å
150Q95.3Very high93.4Very high73 Ų7369.9 Ų69.934%0.34134%0.341SS..Hα-helixtrans-61.3-43.4178.5179.9175.6-1.400112.5M80 A146 A147 S152 T153 L154 I167M80-Q150 HydrophobicContact CE-CB 4.18Å; A146-Q150 PolarHBondContact O-N 3.29Å; A147-Q150 PolarHBondContact O-N 2.95Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 2.8Å; Q150-T153 CarbonylContact O-C 3.43Å; Q150-T153 PolarHBondContact O-N 3.35Å; Q150-T153 PolarHBondContact O-OG1 3.5Å; Q150-T153 VanDerWaalsContact O-OG1 3.14Å; Q150-L154 PolarHBondContact O-N 3.45Å; Q150-I167 WeakPolarHBondContact CA-O 3.45Å; Q150-I167 WeakPolarHBondContact CB-O 3.15Å; Q150-I167 WeakPolarHBondContact CG-O 3.46Å
151Q94.7Very high93Very high138 Ų13876 Ų7665%0.64536%0.361SS*.Hα-helixtrans-66.6-30.6178.4-74.8176.6-6.600112.5A147 R148 L149 T153 L154A147-Q151 VanDerWaalsContact O-CB 3.28Å; A147-Q151 WeakPolarHBondContact O-CB 3.4Å; A147-Q151 WeakPolarHBondContact O-CG 3.42Å; A147-Q151 PolarHBondContact O-N 2.95Å; R148-Q151 PolarHBondContact O-N 3.39Å; L149-Q151 PolarHBondContact O-N 2.78Å; Q151-T153 PolarHBondContact O-N 3.28Å; Q151-L154 WeakPolarHBondContact O-CB 3.4Å; Q151-L154 PolarHBondContact O-N 2.87Å
152S93Very high92.5Very high22 Ų2278.9 Ų78.915%0.15438%0.376CS..Hα-helixtrans-65.1-24.6175.680.10000112.5I102 R112 R148 L149 Q150I102-S152 WeakPolarHBondContact CD1-OG 2.98Å; R112-S152 WeakPolarHBondContact CD-O 3.26Å; R112-S152 PolarHBondContact NH1-O 2.91Å; R148-S152 WeakPolarHBondContact O-CB 3.44Å; R148-S152 PolarHBondContact O-N 2.99Å; L149-S152 WeakPolarHBondContact O-CB 3.21Å; L149-S152 PolarHBondContact O-N 2.88Å; L149-S152 PolarHBondContact O-OG 3.45Å; Q150-S152 VanDerWaalsContact C-N 3.28Å; Q150-S152 PolarHBondContact O-N 2.8Å
153T92.4Very high92.1Very high3 Ų385 Ų852%0.01840%0.403CS..THydrogen-bonded Turntrans-109.925.3176.559.20000112.4I102 F105 L149 Q150 Q151 V155 I167I102-T153 HydrophobicContact CD1-CG2 3.87Å; I102-T153 HydrophobicContact CG2-CG2 4.29Å; F105-T153 HydrophobicContact CD2-CG2 3.92Å; F105-T153 HydrophobicContact CE2-CG2 4.04Å; F105-T153 HydrophobicContact CG-CG2 4.2Å; F105-T153 HydrophobicContact CZ-CG2 4.38Å; F105-T153 WeakPolarHBondContact CZ-O 3.42Å; L149-T153 PolarHBondContact O-N 3.11Å; Q150-T153 CarbonylContact O-C 3.43Å; Q150-T153 PolarHBondContact O-N 3.35Å; Q150-T153 PolarHBondContact O-OG1 3.5Å; Q150-T153 VanDerWaalsContact O-OG1 3.14Å; Q151-T153 PolarHBondContact O-N 3.28Å; T153-V155 PolarHBondContact O-N 3.26Å; T153-I167 HydrophobicContact CG2-CD1 4.07Å; T153-I167 HydrophobicContact CG2-CG1 4Å; T153-I167 PolarHBondContact OG1-N 3.23Å
154L91.5Very high91.8Very high100 Ų10084 Ų8452%0.52439%0.394SS..  trans-77.2110.2178.8-177.569.9000110.6Q150 Q151Q150-L154 PolarHBondContact O-N 3.45Å; Q151-L154 WeakPolarHBondContact O-CB 3.4Å; Q151-L154 PolarHBondContact O-N 2.87Å
155V89.5Confident91.6Very high25 Ų2583.3 Ų83.315%0.15238%0.384CS..  trans-76.3126172.5-170.30000109.8F105 L106 T153 K158 I164 D165F105-V155 HydrophobicContact CE1-CG2 4.23Å; F105-V155 HydrophobicContact CE2-CG2 4.49Å; F105-V155 HydrophobicContact CZ-CG2 3.56Å; L106-V155 HydrophobicContact CD1-CG1 4.17Å; L106-V155 HydrophobicContact CD1-CG2 3.81Å; T153-V155 PolarHBondContact O-N 3.26Å; V155-K158 HydrophobicContact CG1-CB 4.43Å; V155-K158 HydrophobicContact CG1-CD 3.81Å; V155-K158 HydrophobicContact CG1-CG 3.91Å; V155-I164 HydrophobicContact CB-CG2 3.58Å; V155-I164 HydrophobicContact CG1-CG2 4.42Å; V155-I164 HydrophobicContact CG2-CG2 3.49Å; V155-I164 VanDerWaalsContact CG2-CG2 3.49Å; V155-D165 WeakPolarHBondContact CG2-O 3.47Å
156R88Confident91.5Very high199 Ų19983.4 Ų83.475%0.75139%0.385SS*.  trans-106.2158.7177.5-63.7-178.6175.5177.9-1.5110.3K158R156-K158 VanDerWaalsContact C-N 3.29Å; R156-K158 PolarHBondContact O-N 3.36Å
157K88.4Confident91.4Very high220 Ų22083.4 Ų83.496%0.95739%0.385SS*.SBendtrans61.729.8176.9-51.2179.4178.6-178.80114.6
158K87Confident91.3Very high127 Ų12785.7 Ų85.755%0.55239%0.386SS*.SBendtrans-119.1160167.3-69.2-160.2179.7-172.70110V155 R156 I160 I164V155-K158 HydrophobicContact CG1-CB 4.43Å; V155-K158 HydrophobicContact CG1-CD 3.81Å; V155-K158 HydrophobicContact CG1-CG 3.91Å; R156-K158 VanDerWaalsContact C-N 3.29Å; R156-K158 PolarHBondContact O-N 3.36Å; K158-I160 PolarHBondContact O-N 3.05Å; K158-I164 HydrophobicContact CB-CD1 4.37Å
159D88.7Confident91.3Very high63 Ų6381.3 Ų81.334%0.33737%0.374SS..  trans-70.4117.2173.4-173.2-12.9000109.9R161 T162D159-R161 PolarHBondContact O-N 3.37Å; D159-R161 VanDerWaalsContact O-N 3.17Å; D159-R161 WeakPolarHBondContact OD1-CB 3.5Å; D159-R161 WeakPolarHBondContact OD1-CG 3.38Å; D159-R161 PolarHBondContact OD1-N 3.04Å; D159-R161 IonicContact OD1-NE 2.63Å; D159-R161 PolarHBondContact OD1-NE 2.76Å; D159-R161 VanDerWaalsContact OD1-NE 3.11Å; D159-R161 IonicContact OD2-CZ 3.24Å; D159-R161 VanDerWaalsContact OD2-CZ 3.3Å; D159-R161 IonicContact OD2-NE 2.7Å; D159-R161 PolarHBondContact OD2-NE 3.48Å; D159-R161 IonicContact OD2-NH2 3.1Å; D159-R161 PolarHBondContact OD2-NH2 3.35Å; D159-T162 HydrophobicContact CB-CG2 4.14Å; D159-T162 PolarHBondContact O-N 2.97Å; D159-T162 PolarHBondContact O-OG1 3.4Å
160I86.2Confident91.3Very high151 Ų15184.1 Ų84.177%0.77439%0.394SS*.THydrogen-bonded Turntrans-65.3-15.5-179.260.5168.7000113.7K158 T162K158-I160 PolarHBondContact O-N 3.05Å; I160-T162 VanDerWaalsContact C-N 3.31Å
161R88.1Confident91.3Very high213 Ų21385 Ų8580%0.80440%0.398SS*.THydrogen-bonded Turntrans-78.6-20.8175.9-58.4175.2-64172.14.1112D159D159-R161 PolarHBondContact O-N 3.37Å; D159-R161 VanDerWaalsContact O-N 3.17Å; D159-R161 WeakPolarHBondContact OD1-CB 3.5Å; D159-R161 WeakPolarHBondContact OD1-CG 3.38Å; D159-R161 PolarHBondContact OD1-N 3.04Å; D159-R161 IonicContact OD1-NE 2.63Å; D159-R161 PolarHBondContact OD1-NE 2.76Å; D159-R161 VanDerWaalsContact OD1-NE 3.11Å; D159-R161 IonicContact OD2-CZ 3.24Å; D159-R161 VanDerWaalsContact OD2-CZ 3.3Å; D159-R161 IonicContact OD2-NE 2.7Å; D159-R161 PolarHBondContact OD2-NE 3.48Å; D159-R161 IonicContact OD2-NH2 3.1Å; D159-R161 PolarHBondContact OD2-NH2 3.35Å
162T86.9Confident91.3Very high78 Ų7885 Ų8548%0.47940%0.396SS..SBendtrans-83.9154.8174.164.70000109.9D159 I160 I164D159-T162 HydrophobicContact CB-CG2 4.14Å; D159-T162 PolarHBondContact O-N 2.97Å; D159-T162 PolarHBondContact O-OG1 3.4Å; I160-T162 VanDerWaalsContact C-N 3.31Å; T162-I164 WeakPolarHBondContact O-CG1 3.41Å; T162-I164 PolarHBondContact O-N 3.4Å
163F87.2Confident91.4Very high128 Ų12885 Ų8556%0.56140%0.398SS*.  trans-60.2133173.7177-91.9000110.3V83 A85 D165V83-F163 HydrophobicContact CB-CE2 4.35Å; V83-F163 HydrophobicContact CB-CZ 3.98Å; V83-F163 HydrophobicContact CG2-CE2 4.5Å; V83-F163 HydrophobicContact CG2-CZ 4.32Å; A85-F163 HydrophobicContact CB-CD1 4.07Å; A85-F163 HydrophobicContact CB-CE1 3.86Å; F163-D165 WeakPolarHBondContact CE1-OD1 3.39Å
164I91.4Very high91.5Very high24 Ų2489.3 Ų89.312%0.12342%0.415CS..  trans-126.9126.1-177.5-68.4172.4000108.9V155 K158 T162 Y168V155-I164 HydrophobicContact CB-CG2 3.58Å; V155-I164 HydrophobicContact CG1-CG2 4.42Å; V155-I164 HydrophobicContact CG2-CG2 3.49Å; V155-I164 VanDerWaalsContact CG2-CG2 3.49Å; K158-I164 HydrophobicContact CB-CD1 4.37Å; T162-I164 WeakPolarHBondContact O-CG1 3.41Å; T162-I164 PolarHBondContact O-N 3.4Å; I164-Y168 PolarHBondContact O-OH 3.42Å
165D92.7Very high91.5Very high15 Ų1586.1 Ų86.18%0.0840%0.398CS..  trans-60.3137.8173.2-64.716.2000110.4V83 Y84 A85 F105 L106 V155 F163V83-D165 CarbonylContact O-C 3.59Å; V83-D165 VanDerWaalsContact O-CA 3.3Å; V83-D165 WeakPolarHBondContact O-CA 3.47Å; Y84-D165 VanDerWaalsContact CA-CG 3.49Å; A85-D165 PolarHBondContact N-OD1 3.22Å; A85-D165 PolarHBondContact N-OD2 2.74Å; F105-D165 HydrophobicContact CE2-CB 4.47Å; L106-D165 HydrophobicContact CD2-CB 3.94Å; V155-D165 WeakPolarHBondContact CG2-O 3.47Å; F163-D165 WeakPolarHBondContact CE1-OD1 3.39Å
166G94Very high91.3Very high1 Ų188 Ų881%0.0141%0.41CS..EExtended strand (participates in β ladder)trans172.4177.8-177.700000113.7S82 V83S82-G166 WeakPolarHBondContact CA-O 3.07Å; V83-G166 WeakPolarHBondContact CG2-O 3.46Å; V83-G166 PolarHBondContact N-O 2.79Å; V83-G166 PolarHBondContact O-N 2.9Å
167I95.5Very high90.7Very high2 Ų287.2 Ų87.21%0.0142%0.415CS..EExtended strand (participates in β ladder)trans-107.4120.8172.1-56.6-179.3000108.5M80 R81 V91 I102 Q150 T153M80-I167 HydrophobicContact CB-CG2 4.03Å; M80-I167 HydrophobicContact CE-CG2 3.86Å; M80-I167 HydrophobicContact SD-CG2 4.48Å; R81-I167 WeakPolarHBondContact O-CA 3.32Å; V91-I167 HydrophobicContact CG2-CD1 3.78Å; I102-I167 HydrophobicContact CD1-CD1 3.44Å; I102-I167 VanDerWaalsContact CD1-CD1 3.44Å; I102-I167 HydrophobicContact CG1-CD1 3.86Å; I102-I167 HydrophobicContact CG2-CD1 4.31Å; Q150-I167 WeakPolarHBondContact CA-O 3.45Å; Q150-I167 WeakPolarHBondContact CB-O 3.15Å; Q150-I167 WeakPolarHBondContact CG-O 3.46Å; T153-I167 HydrophobicContact CG2-CD1 4.07Å; T153-I167 HydrophobicContact CG2-CG1 4Å; T153-I167 PolarHBondContact OG1-N 3.23Å
168Y95.7Very high89.4Confident84 Ų8484.6 Ų84.633%0.32941%0.41SS..EExtended strand (participates in β ladder)trans-123.8151.3-175.6-61-86000111.4M80 R81 V83 I164 S170M80-Y168 CarbonylContact C-O 3.53Å; M80-Y168 WeakPolarHBondContact CA-O 3.3Å; R81-Y168 PolarHBondContact N-O 2.95Å; R81-Y168 PolarHBondContact O-N 3.05Å; V83-Y168 HydrophobicContact CG2-CD2 3.44Å; V83-Y168 VanDerWaalsContact CG2-CD2 3.44Å; V83-Y168 HydrophobicContact CG2-CE2 3.56Å; I164-Y168 PolarHBondContact O-OH 3.42Å; Y168-S170 PolarHBondContact O-N 2.9Å
169V96.5Very high89.5Confident42 Ų4282.5 Ų82.526%0.25540%0.403SS..EExtended strand (participates in β ladder)trans-74.3116170.4-177.50000108.6Y78 K79 M80 A146 K172Y78-V169 HydrophobicContact CD2-CG1 4.32Å; K79-V169 CarbonylContact O-C 3.59Å; K79-V169 WeakPolarHBondContact O-CA 3.46Å; M80-V169 HydrophobicContact CE-CG2 3.88Å; M80-V169 HydrophobicContact CG-CG2 4.2Å; A146-V169 HydrophobicContact CB-CG2 4.17Å; V169-K172 HydrophobicContact CG1-CG 3.81Å
170S94.2Very high89.6Confident59 Ų5983.5 Ų83.541%0.41341%0.407SS..EExtended strand (participates in β ladder)trans-86.2-38.1176.654.20000111.9K79 Y168K79-S170 WeakPolarHBondContact CB-OG 3.22Å; K79-S170 PolarHBondContact O-N 2.8Å; K79-S170 PolarHBondContact O-OG 2.73Å; Y168-S170 PolarHBondContact O-N 2.9Å
171E95.6Very high89.8Confident92 Ų9279.8 Ų79.843%0.4339%0.386SS..EExtended strand (participates in β ladder)trans-148.1145.8-175.1-162.6-171.2124.800110.7K79K79-E171 HydrophobicContact CB-CB 4.03Å; K79-E171 HydrophobicContact CD-CB 4Å; K79-E171 HydrophobicContact CG-CB 4.11Å; K79-E171 PolarHBondContact N-O 3.26Å; K79-E171 IonicContact NZ-OE1 3.37Å; K79-E171 PolarHBondContact NZ-OE1 3.45Å; K79-E171 IonicContact NZ-OE2 3.58Å; K79-E171 PolarHBondContact NZ-OE2 3.05Å; K79-E171 PolarHBondContact O-N 3.12Å
172K95.3Very high89.9Confident138 Ų13871.9 Ų71.960%0.636%0.362SS*.EExtended strand (participates in β ladder)trans-121.8122.2172.2-61.8176.7-177.2173.90107.7Y78 V169Y78-K172 HydrophobicContact CD1-CB 4.1Å; Y78-K172 HydrophobicContact CD1-CG 4Å; Y78-K172 HydrophobicContact CD2-CG 4.19Å; Y78-K172 HydrophobicContact CE1-CB 3.91Å; Y78-K172 HydrophobicContact CE1-CD 4.18Å; Y78-K172 HydrophobicContact CE1-CG 3.85Å; Y78-K172 HydrophobicContact CE2-CD 4.01Å; Y78-K172 HydrophobicContact CE2-CG 4.07Å; Y78-K172 HydrophobicContact CG-CG 4.17Å; V169-K172 HydrophobicContact CG1-CG 3.81Å
173G95Very high90Very high20 Ų2071.6 Ų71.621%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-151.8-167.1-177.600000112.5R77R77-G173 PolarHBondContact N-O 3.2Å; R77-G173 PolarHBondContact O-N 2.75Å
174Y94.4Very high90.2Very high95 Ų9567.8 Ų67.837%0.37334%0.341SS..EExtended strand (participates in β ladder)trans-104157175.7-59.2-74.3000110.5K70 Q74 G75 Y76K70-Y174 HydrophobicContact CB-CE1 4.24Å; Q74-Y174 HydrophobicContact CB-CD1 3.85Å; Q74-Y174 HydrophobicContact CB-CG 4.08Å; Q74-Y174 VanDerWaalsContact OE1-CG 3.28Å; G75-Y174 VanDerWaalsContact O-CA 3.23Å; G75-Y174 WeakPolarHBondContact O-CA 3.49Å; G75-Y174 WeakPolarHBondContact O-CD1 3.28Å; Y76-Y174 HydrophobicContact CD1-CD1 4.04Å; Y76-Y174 AromaticContact CD1-CE1 3.93Å; Y76-Y174 HydrophobicContact CD1-CE1 3.93Å; Y76-Y174 HydrophobicContact CE1-CD1 4.05Å; Y76-Y174 AromaticContact CE1-CE1 3.49Å; Y76-Y174 HydrophobicContact CE1-CE1 3.49Å; Y76-Y174 VanDerWaalsContact CE1-CE1 3.49Å
175I91.5Very high90.2Very high32 Ų3270.9 Ų70.916%0.16436%0.356CS..SBendtrans-76.6-42.3175.8-65165.8000110.1R21 Q74 G75 R77 E135R21-I175 VanDerWaalsContact NH2-CD1 3.29Å; Q74-I175 WeakPolarHBondContact O-CB 3.39Å; Q74-I175 PolarHBondContact O-N 3.11Å; G75-I175 PolarHBondContact O-N 2.71Å; G75-I175 VanDerWaalsContact O-N 3.1Å; R77-I175 HydrophobicContact CB-CG1 3.78Å; E135-I175 HydrophobicContact CB-CD1 3.88Å; E135-I175 HydrophobicContact CG-CD1 4.05Å; E135-I175 HydrophobicContact CG-CG1 4.24Å
176T86.1Confident90Very high64 Ų6475.2 Ų75.239%0.39338%0.377SS..SBendtrans-113.7120.1179.2-51.10000109.4Q74Q74-T176 WeakPolarHBondContact CB-O 3.42Å; Q74-T176 PolarHBondContact O-N 3.49Å
177E74.1Confident89.6Confident183 Ų18381.4 Ų81.486%0.85541%0.408SS*.  trans-77.4144.3169.6-63.4-178.6174.800109.4
178L61.6Low89.1Confident166 Ų16688.6 Ų88.687%0.86944%0.444SS*.  trans-106.30177.2-80.2-179.1000111R73 Q74R73-L178 HydrophobicContact CG-CD1 4.38Å; Q74-L178 HydrophobicContact CG-CD1 4.19Å; Q74-L178 HydrophobicContact CG-CG 4.14Å

Retrieved 178 of 178 residues in 102.8 ms (Link to these results)

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