A0A077ZKF2_TRITR Loading...

Stackhouse genomic scaffold, scaffold 216

AlphaFold DB , UniProt , Accession A0A077ZKF2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 108 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
1M35.1Very low68.2Low228 Ų228106.4 Ų106.4100%1.12358%0.578SS**  0109.30-133.7170.5-175.300106.5T3M1-T3 PolarHBondContact O-N 3.35Å
2R36.6Very low70.8Confident262 Ų26297.5 Ų97.599%0.98953%0.53SS*.  trans-71.892.9172.5-80.3176.9161.9163.6-6.5107.2G4R2-G4 PolarHBondContact O-N 3.04Å
3T41.8Very low72.9Confident118 Ų11891.3 Ų91.372%0.72449%0.494SS*.  trans-84.7101.9174.448.20000108.2M1M1-T3 PolarHBondContact O-N 3.35Å
4G37.1Very low74.6Confident73 Ų7386.7 Ų86.775%0.75348%0.475SS*.  trans30.190.6163.900000118R2 G6R2-G4 PolarHBondContact O-N 3.04Å; G4-G6 VanDerWaalsContact C-N 3.32Å; G4-G6 PolarHBondContact O-N 3.14Å
5T52.3Low76Confident134 Ų13483.8 Ų83.882%0.82245%0.454SS*.  trans-83.781.7159.250.80000107.9
6G70.2Confident77Confident52 Ų5287.4 Ų87.454%0.53646%0.464SS..  trans-61.5152.8151.900000108.1G4 M8G4-G6 VanDerWaalsContact C-N 3.32Å; G4-G6 PolarHBondContact O-N 3.14Å; G6-M8 WeakPolarHBondContact O-CG 3.4Å; G6-M8 PolarHBondContact O-N 3.29Å
7E87.5Confident77.6Confident160 Ų16092 Ų9275%0.74847%0.474SS*.  trans-56.9112.1173.5-66.6175.5164.400108.5K11 D30E7-K11 VanDerWaalsContact O-CE 3.28Å; E7-K11 WeakPolarHBondContact O-CE 3.37Å; E7-K11 WeakPolarHBondContact O-CG 3.33Å; E7-D30 WeakPolarHBondContact CA-OD2 3.14Å
8M95.1Very high78.1Confident43 Ų4398.2 Ų98.221%0.21250%0.5CS..  trans-99.1-24.3-176.8-64.9-172.867.200110.7G6 F10 K11 Y13 D26 D30 I83G6-M8 WeakPolarHBondContact O-CG 3.4Å; G6-M8 PolarHBondContact O-N 3.29Å; M8-F10 PolarHBondContact O-N 3.35Å; M8-K11 VanDerWaalsContact O-CB 3.25Å; M8-K11 WeakPolarHBondContact O-CB 3.41Å; M8-K11 VanDerWaalsContact O-CG 3.31Å; M8-K11 WeakPolarHBondContact O-CG 3.46Å; M8-K11 PolarHBondContact O-N 3.49Å; M8-Y13 HydrophobicContact CE-CE2 4.09Å; M8-D26 WeakPolarHBondContact O-CB 3.43Å; M8-D30 PolarHBondContact N-OD1 3.3Å; M8-D30 PolarHBondContact N-OD2 3.32Å; M8-I83 HydrophobicContact CE-CD1 4.18Å
9Q98.3Very high78.4Confident50 Ų5095.9 Ų95.923%0.23450%0.495CS..THydrogen-bonded Turntrans-57.2131.8-179.7-166.2174.725.500110K11 V27 Q28 D30Q9-K11 PolarHBondContact O-N 3.1Å; Q9-V27 PolarHBondContact NE2-O 2.77Å; Q9-Q28 VanDerWaalsContact CB-O 3.3Å; Q9-Q28 WeakPolarHBondContact CB-O 3.31Å; Q9-Q28 VanDerWaalsContact CG-O 3.28Å; Q9-Q28 WeakPolarHBondContact CG-O 3.28Å; Q9-D30 PolarHBondContact N-OD1 3.33Å; Q9-D30 VanDerWaalsContact N-OD1 3.14Å; Q9-D30 PolarHBondContact N-OD2 3.1Å; Q9-D30 VanDerWaalsContact N-OD2 3.09Å
10F98.4Very high78.9Confident13 Ų13102 Ų1026%0.05751%0.511CS..THydrogen-bonded Turntrans702.6-176.3-43.8-55.9000116.3M8 D26 L90 E94 I97M8-F10 PolarHBondContact O-N 3.35Å; F10-D26 VanDerWaalsContact CA-O 3.28Å; F10-D26 WeakPolarHBondContact CA-O 3.23Å; F10-D26 PolarHBondContact N-O 3.2Å; F10-L90 WeakPolarHBondContact O-CB 3.16Å; F10-L90 PolarHBondContact O-N 3.27Å; F10-E94 HydrophobicContact CE2-CB 4.13Å; F10-E94 HydrophobicContact CE2-CG 3.88Å; F10-E94 HydrophobicContact CZ-CB 4.2Å; F10-E94 HydrophobicContact CZ-CG 3.75Å; F10-I97 HydrophobicContact CD1-CD1 3.71Å; F10-I97 HydrophobicContact CD1-CG2 4.36Å; F10-I97 HydrophobicContact CE1-CB 4.41Å; F10-I97 HydrophobicContact CE1-CD1 4.28Å; F10-I97 HydrophobicContact CE1-CG2 4.06Å
11K98.3Very high79.6Confident37 Ų3798.4 Ų98.416%0.16149%0.491CS..EExtended strand (participates in β ladder)trans-74.4143.4170.4-56.4-56.9-172.3163.70110.9E7 M8 Q9 Y13 V25 D26 E86 D89E7-K11 VanDerWaalsContact O-CE 3.28Å; E7-K11 WeakPolarHBondContact O-CE 3.37Å; E7-K11 WeakPolarHBondContact O-CG 3.33Å; M8-K11 VanDerWaalsContact O-CB 3.25Å; M8-K11 WeakPolarHBondContact O-CB 3.41Å; M8-K11 VanDerWaalsContact O-CG 3.31Å; M8-K11 WeakPolarHBondContact O-CG 3.46Å; M8-K11 PolarHBondContact O-N 3.49Å; Q9-K11 PolarHBondContact O-N 3.1Å; K11-Y13 HydrophobicContact CB-CD2 4.4Å; K11-Y13 HydrophobicContact CB-CE2 3.5Å; K11-Y13 VanDerWaalsContact CB-CE2 3.5Å; K11-Y13 VanDerWaalsContact CB-OH 3.32Å; K11-Y13 WeakPolarHBondContact CB-OH 3.23Å; K11-V25 WeakPolarHBondContact O-CA 3.39Å; K11-D26 PolarHBondContact O-N 2.97Å; K11-E86 HydrophobicContact CB-CG 4.38Å; K11-E86 IonicContact NZ-OE1 3.31Å; K11-D89 HydrophobicContact CD-CB 4.04Å; K11-D89 IonicContact NZ-OD2 3.3Å; K11-D89 PolarHBondContact NZ-OD2 3.44Å
12V98.4Very high82.4Confident0 Ų095.4 Ų95.40%047%0.468CS..EExtended strand (participates in β ladder)trans-103.1130.3178.6-174.80000109.1L23 F24 V25 L43 V63 E86 V87 A88 L90V12-L23 HydrophobicContact CG1-CB 4.18Å; V12-L23 HydrophobicContact CG1-CD1 4.44Å; V12-F24 CarbonylContact C-O 3.53Å; V12-F24 WeakPolarHBondContact CA-O 3.24Å; V12-F24 WeakPolarHBondContact CG1-O 3.47Å; V12-V25 HydrophobicContact CG2-CB 4.22Å; V12-V25 HydrophobicContact CG2-CG2 4.33Å; V12-L43 HydrophobicContact CG1-CD1 3.78Å; V12-V63 HydrophobicContact CG1-CG2 4.38Å; V12-V63 HydrophobicContact CG2-CG2 4.48Å; V12-E86 CarbonylContact O-C 3.56Å; V12-E86 WeakPolarHBondContact O-CA 3.26Å; V12-V87 HydrophobicContact CB-CG2 4.03Å; V12-V87 HydrophobicContact CG1-CG2 3.65Å; V12-V87 PolarHBondContact O-N 3.43Å; V12-A88 HydrophobicContact CB-CB 4.01Å; V12-A88 HydrophobicContact CG2-CB 4.02Å; V12-A88 PolarHBondContact N-O 3.16Å; V12-L90 HydrophobicContact CG2-CD1 3.5Å; V12-L90 HydrophobicContact CG2-CG 3.6Å
13Y98.2Very high85.3Confident17 Ų1783.9 Ų83.97%0.06743%0.425CS..EExtended strand (participates in β ladder)trans-123.9151179.5-58.7-85.8000111.5M8 K11 L23 F24 D26 I83 E85 E86M8-Y13 HydrophobicContact CE-CE2 4.09Å; K11-Y13 HydrophobicContact CB-CD2 4.4Å; K11-Y13 HydrophobicContact CB-CE2 3.5Å; K11-Y13 VanDerWaalsContact CB-CE2 3.5Å; K11-Y13 VanDerWaalsContact CB-OH 3.32Å; K11-Y13 WeakPolarHBondContact CB-OH 3.23Å; Y13-L23 WeakPolarHBondContact O-CA 3.22Å; Y13-F24 HydrophobicContact CD2-CE2 4.06Å; Y13-F24 HydrophobicContact CG-CE2 4.34Å; Y13-F24 PolarHBondContact N-O 2.74Å; Y13-F24 PolarHBondContact O-N 3.3Å; Y13-D26 HydrophobicContact CE2-CB 4.24Å; Y13-I83 HydrophobicContact CD1-CG2 3.57Å; Y13-I83 HydrophobicContact CD2-CG2 3.93Å; Y13-I83 HydrophobicContact CE1-CG2 4.14Å; Y13-I83 HydrophobicContact CE2-CG2 4.43Å; Y13-I83 HydrophobicContact CG-CG2 3.48Å; Y13-I83 VanDerWaalsContact CG-CG2 3.48Å; Y13-E85 VanDerWaalsContact CA-O 3.27Å; Y13-E85 WeakPolarHBondContact CA-O 3.43Å; Y13-E86 HydrophobicContact CD1-CB 3.93Å; Y13-E86 HydrophobicContact CD1-CG 4.5Å; Y13-E86 HydrophobicContact CE1-CB 3.62Å; Y13-E86 HydrophobicContact CE1-CG 4.03Å
14A97.2Very high88Confident27 Ų2778.2 Ų78.222%0.22339%0.391CS..EExtended strand (participates in β ladder)trans-75.3147.9165.200000111.4R22 L23 G84 E85A14-R22 WeakPolarHBondContact CA-O 3.36Å; A14-L23 HydrophobicContact CB-CD2 4.12Å; A14-G84 WeakPolarHBondContact O-CA 3.19Å; A14-G84 PolarHBondContact O-N 2.84Å; A14-E85 PolarHBondContact N-O 2.96Å
15Y95.9Very high90.9Very high43 Ų4374.8 Ų74.817%0.16936%0.355CS..EExtended strand (participates in β ladder)trans-73.7128.1165.9-79.6-80.3000110.4R17 Y21 R22 F24 V78 V82Y15-R17 VanDerWaalsContact C-N 3.26Å; Y15-R17 PolarHBondContact O-N 3.22Å; Y15-Y21 WeakPolarHBondContact CD2-O 3.32Å; Y15-R22 PolarHBondContact N-O 2.97Å; Y15-F24 AromaticContact CD1-CD1 3.88Å; Y15-F24 HydrophobicContact CD1-CD1 3.88Å; Y15-F24 AromaticContact CD1-CE1 3.69Å; Y15-F24 HydrophobicContact CD1-CE1 3.69Å; Y15-F24 AromaticContact CD2-CD1 3.45Å; Y15-F24 HydrophobicContact CD2-CD1 3.45Å; Y15-F24 VanDerWaalsContact CD2-CD1 3.45Å; Y15-F24 AromaticContact CD2-CE1 3.97Å; Y15-F24 HydrophobicContact CD2-CE1 3.97Å; Y15-F24 AromaticContact CE1-CD1 3.66Å; Y15-F24 HydrophobicContact CE1-CD1 3.66Å; Y15-F24 AromaticContact CE1-CE1 3.77Å; Y15-F24 HydrophobicContact CE1-CE1 3.77Å; Y15-F24 HydrophobicContact CE1-CG 4.49Å; Y15-F24 HydrophobicContact CE2-CB 3.91Å; Y15-F24 AromaticContact CE2-CD1 3.23Å; Y15-F24 HydrophobicContact CE2-CD1 3.23Å; Y15-F24 HydrophobicContact CE2-CE1 4.06Å; Y15-F24 AromaticContact CE2-CG 3.97Å; Y15-F24 HydrophobicContact CE2-CG 3.97Å; Y15-F24 AromaticContact CG-CD1 3.77Å; Y15-F24 HydrophobicContact CG-CD1 3.77Å; Y15-F24 AromaticContact CG-CE1 3.78Å; Y15-F24 HydrophobicContact CG-CE1 3.78Å; Y15-F24 AromaticContact CZ-CD1 3.31Å; Y15-F24 AromaticContact CZ-CE1 3.94Å; Y15-F24 AromaticContact CZ-CG 3.91Å; Y15-V78 HydrophobicContact CE1-CG1 4.24Å; Y15-V82 HydrophobicContact CD1-CG2 4.36Å; Y15-V82 HydrophobicContact CE1-CG2 4.46Å
16K92.4Very high93.2Very high141 Ų14168.4 Ų68.461%0.61332%0.316SS*.SBendtrans-71.8-16.3173.1-78.7179.6165.7142.30114.4F81 V82 I83K16-F81 WeakPolarHBondContact CD-O 3.49Å; K16-V82 PolarHBondContact N-O 2.94Å; K16-I83 VanDerWaalsContact CD-O 3.28Å; K16-I83 WeakPolarHBondContact CD-O 3.34Å; K16-I83 WeakPolarHBondContact CE-O 3.44Å; K16-I83 PolarHBondContact NZ-O 3.31Å
17R86.8Confident94.5Very high166 Ų16666.6 Ų66.663%0.62630%0.295SS*.SBendtrans-122.5159.8-175.5-65.2-177.867.8-160.6-0.7109.7Y15 S19 V82Y15-R17 VanDerWaalsContact C-N 3.26Å; Y15-R17 PolarHBondContact O-N 3.22Å; R17-S19 PolarHBondContact O-N 3.29Å; R17-V82 HydrophobicContact CG-CG1 4.42Å
18E85.5Confident95Very high203 Ų20360 Ų6095%0.94926%0.263SS*.  trans-52.5128.2169.8-68.1-175.317500110.6
19S84.9Confident95.1Very high56 Ų5659.8 Ų59.839%0.39227%0.267SS..  trans-151.7154.1-179171.50000107.5R17 Y21R17-S19 PolarHBondContact O-N 3.29Å; S19-Y21 VanDerWaalsContact CB-O 3.23Å; S19-Y21 WeakPolarHBondContact CB-O 3.34Å; S19-Y21 PolarHBondContact O-N 3.47Å; S19-Y21 PolarHBondContact OG-N 2.98Å; S19-Y21 PolarHBondContact OG-O 3.4Å
20R88.2Confident95Very high217 Ų21760 Ų6082%0.81927%0.27SS*.SBendtrans-57.5-27.5170.2-177.5-179.2178-166.5-1.5111.6
21Y93.1Very high94.9Very high27 Ų2766.7 Ų66.711%0.10630%0.304CS..  trans-111.1143.6-179.7-59.1-67000110.5Y15 S19 P42 A44 M71 D74Y15-Y21 WeakPolarHBondContact CD2-O 3.32Å; S19-Y21 VanDerWaalsContact CB-O 3.23Å; S19-Y21 WeakPolarHBondContact CB-O 3.34Å; S19-Y21 PolarHBondContact O-N 3.47Å; S19-Y21 PolarHBondContact OG-N 2.98Å; S19-Y21 PolarHBondContact OG-O 3.4Å; Y21-P42 HydrophobicContact CD1-CB 4.03Å; Y21-P42 HydrophobicContact CD2-CB 3.31Å; Y21-P42 HydrophobicContact CD2-CG 3.82Å; Y21-P42 HydrophobicContact CE1-CB 4.44Å; Y21-P42 HydrophobicContact CE2-CB 3.75Å; Y21-P42 HydrophobicContact CE2-CG 4.04Å; Y21-P42 HydrophobicContact CG-CB 3.45Å; Y21-P42 VanDerWaalsContact CG-CB 3.45Å; Y21-P42 HydrophobicContact CG-CG 4.44Å; Y21-A44 HydrophobicContact CD1-CB 4.32Å; Y21-A44 HydrophobicContact CE1-CB 4.01Å; Y21-M71 HydrophobicContact CE1-CG 3.93Å; Y21-D74 HydrophobicContact CE2-CB 4.43Å; Y21-D74 WeakPolarHBondContact CE2-OD2 3.41Å; Y21-D74 PolarHBondContact OH-OD2 2.99Å
22R94.3Very high94.8Very high165 Ų16569.3 Ų69.362%0.62332%0.319SS*.SBendtrans-91.2-33.2178.3-67-171.2-69-175.84.5112.6A14 Y15A14-R22 WeakPolarHBondContact CA-O 3.36Å; Y15-R22 PolarHBondContact N-O 2.97Å
23L97.9Very high94.6Very high19 Ų1975.9 Ų75.910%0.09935%0.354CS..EExtended strand (participates in β ladder)trans-126.3157.5-176.4-58.6-180000110.6V12 Y13 A14 L43 V63 W68 V87V12-L23 HydrophobicContact CG1-CB 4.18Å; V12-L23 HydrophobicContact CG1-CD1 4.44Å; Y13-L23 WeakPolarHBondContact O-CA 3.22Å; A14-L23 HydrophobicContact CB-CD2 4.12Å; L23-L43 HydrophobicContact CB-CB 4.06Å; L23-L43 HydrophobicContact CB-CD1 4.01Å; L23-L43 HydrophobicContact CB-CG 4.3Å; L23-L43 PolarHBondContact O-N 2.98Å; L23-V63 HydrophobicContact CD1-CB 4.42Å; L23-V63 HydrophobicContact CD1-CG1 4Å; L23-W68 HydrophobicContact CD1-CD2 4.25Å; L23-W68 HydrophobicContact CD1-CH2 4.01Å; L23-W68 HydrophobicContact CD1-CZ2 3.7Å; L23-W68 HydrophobicContact CD1-CZ3 4.41Å; L23-W68 HydrophobicContact CG-CH2 4.3Å; L23-W68 HydrophobicContact CG-CZ2 4.45Å; L23-V87 HydrophobicContact CD1-CG2 4.39Å; L23-V87 HydrophobicContact CD2-CG2 3.8Å
24F98.3Very high94.4Very high0 Ų077.4 Ų77.40%037%0.365CS..EExtended strand (participates in β ladder)trans-149.3152.1169.258.5-87.8000110V12 Y13 Y15 V40 I41 V78 I83V12-F24 CarbonylContact C-O 3.53Å; V12-F24 WeakPolarHBondContact CA-O 3.24Å; V12-F24 WeakPolarHBondContact CG1-O 3.47Å; Y13-F24 HydrophobicContact CD2-CE2 4.06Å; Y13-F24 HydrophobicContact CG-CE2 4.34Å; Y13-F24 PolarHBondContact N-O 2.74Å; Y13-F24 PolarHBondContact O-N 3.3Å; Y15-F24 AromaticContact CD1-CD1 3.88Å; Y15-F24 HydrophobicContact CD1-CD1 3.88Å; Y15-F24 AromaticContact CD1-CE1 3.69Å; Y15-F24 HydrophobicContact CD1-CE1 3.69Å; Y15-F24 AromaticContact CD2-CD1 3.45Å; Y15-F24 HydrophobicContact CD2-CD1 3.45Å; Y15-F24 VanDerWaalsContact CD2-CD1 3.45Å; Y15-F24 AromaticContact CD2-CE1 3.97Å; Y15-F24 HydrophobicContact CD2-CE1 3.97Å; Y15-F24 AromaticContact CE1-CD1 3.66Å; Y15-F24 HydrophobicContact CE1-CD1 3.66Å; Y15-F24 AromaticContact CE1-CE1 3.77Å; Y15-F24 HydrophobicContact CE1-CE1 3.77Å; Y15-F24 HydrophobicContact CE1-CG 4.49Å; Y15-F24 HydrophobicContact CE2-CB 3.91Å; Y15-F24 AromaticContact CE2-CD1 3.23Å; Y15-F24 HydrophobicContact CE2-CD1 3.23Å; Y15-F24 HydrophobicContact CE2-CE1 4.06Å; Y15-F24 AromaticContact CE2-CG 3.97Å; Y15-F24 HydrophobicContact CE2-CG 3.97Å; Y15-F24 AromaticContact CG-CD1 3.77Å; Y15-F24 HydrophobicContact CG-CD1 3.77Å; Y15-F24 AromaticContact CG-CE1 3.78Å; Y15-F24 HydrophobicContact CG-CE1 3.78Å; Y15-F24 AromaticContact CZ-CD1 3.31Å; Y15-F24 AromaticContact CZ-CE1 3.94Å; Y15-F24 AromaticContact CZ-CG 3.91Å; F24-V40 HydrophobicContact CB-CB 4.17Å; F24-V40 HydrophobicContact CB-CG2 4.09Å; F24-V40 HydrophobicContact CD2-CB 3.58Å; F24-V40 HydrophobicContact CD2-CG1 3.47Å; F24-V40 VanDerWaalsContact CD2-CG1 3.47Å; F24-V40 HydrophobicContact CD2-CG2 3.91Å; F24-V40 HydrophobicContact CE2-CB 4.33Å; F24-V40 HydrophobicContact CE2-CG1 3.72Å; F24-V40 HydrophobicContact CG-CB 4.18Å; F24-V40 HydrophobicContact CG-CG1 4.46Å; F24-V40 HydrophobicContact CG-CG2 4.11Å; F24-I41 CarbonylContact C-O 3.52Å; F24-I41 VanDerWaalsContact CA-O 3.29Å; F24-I41 WeakPolarHBondContact CA-O 3.19Å; F24-I41 WeakPolarHBondContact CB-O 3.44Å; F24-V78 HydrophobicContact CE2-CG2 4.45Å; F24-I83 HydrophobicContact CE2-CG1 4.25Å; F24-I83 HydrophobicContact CE2-CG2 4.43Å; F24-I83 HydrophobicContact CZ-CB 4.17Å; F24-I83 HydrophobicContact CZ-CG1 3.9Å; F24-I83 HydrophobicContact CZ-CG2 4.09Å
25V98.7Very high94.3Very high0 Ų081.3 Ų81.30%039%0.388CS..EExtended strand (participates in β ladder)trans-100.6134.1170.859.60000109.4K11 V12 V27 V40 I41 L43 M70 L90K11-V25 WeakPolarHBondContact O-CA 3.39Å; V12-V25 HydrophobicContact CG2-CB 4.22Å; V12-V25 HydrophobicContact CG2-CG2 4.33Å; V25-V27 HydrophobicContact CG1-CG1 4.09Å; V25-V40 CarbonylContact O-C 3.57Å; V25-V40 WeakPolarHBondContact O-CA 3.28Å; V25-V40 WeakPolarHBondContact O-CB 3.47Å; V25-I41 HydrophobicContact CG1-CB 3.91Å; V25-I41 PolarHBondContact N-O 3.34Å; V25-I41 PolarHBondContact O-N 2.89Å; V25-L43 HydrophobicContact CG1-CD2 4.33Å; V25-M70 HydrophobicContact CG1-CE 3.61Å; V25-M70 HydrophobicContact CG1-SD 4.47Å; V25-L90 HydrophobicContact CB-CD1 4.14Å; V25-L90 HydrophobicContact CG2-CB 4.44Å; V25-L90 HydrophobicContact CG2-CD1 4.01Å
26D98.6Very high94.3Very high0 Ų081 Ų810%040%0.398CS..EExtended strand (participates in β ladder)trans-73.5127.8169.7-169.1-51000109.6M8 F10 K11 Y13 Q28 R38M8-D26 WeakPolarHBondContact O-CB 3.43Å; F10-D26 VanDerWaalsContact CA-O 3.28Å; F10-D26 WeakPolarHBondContact CA-O 3.23Å; F10-D26 PolarHBondContact N-O 3.2Å; K11-D26 PolarHBondContact O-N 2.97Å; Y13-D26 HydrophobicContact CE2-CB 4.24Å; D26-Q28 PolarHBondContact OD1-N 3.2Å; D26-R38 VanDerWaalsContact CG-NH2 3.29Å; D26-R38 IonicContact OD1-CZ 2.78Å; D26-R38 IonicContact OD1-NE 3.43Å; D26-R38 PolarHBondContact OD1-NE 3.07Å; D26-R38 IonicContact OD1-NH2 2.72Å; D26-R38 PolarHBondContact OD1-NH2 3.14Å; D26-R38 WeakPolarHBondContact OD2-CB 3.41Å; D26-R38 WeakPolarHBondContact OD2-CG 3.29Å; D26-R38 IonicContact OD2-CZ 2.68Å; D26-R38 IonicContact OD2-NE 2.59Å; D26-R38 PolarHBondContact OD2-NE 3.31Å; D26-R38 IonicContact OD2-NH2 3.42Å; D26-R38 PolarHBondContact OD2-NH2 3.31Å
27V98.6Very high94.5Very high15 Ų1579.5 Ų79.59%0.09139%0.388CS..  trans-118.8-1.9-178.9-63.30000112.6Q9 V25 M39 I41 M75 I97 I101Q9-V27 PolarHBondContact NE2-O 2.77Å; V25-V27 HydrophobicContact CG1-CG1 4.09Å; V27-M39 HydrophobicContact CG2-CB 4.43Å; V27-M39 HydrophobicContact CG2-CG 4.05Å; V27-M39 PolarHBondContact N-O 3.08Å; V27-I41 HydrophobicContact CG1-CB 4.38Å; V27-I41 HydrophobicContact CG1-CD1 3.78Å; V27-I41 HydrophobicContact CG1-CG1 3.85Å; V27-I41 HydrophobicContact CG2-CD1 4.4Å; V27-I41 HydrophobicContact CG2-CG1 4.06Å; V27-M75 HydrophobicContact CG2-SD 4.1Å; V27-I97 HydrophobicContact CG1-CG2 3.95Å; V27-I101 HydrophobicContact CB-CD1 4.14Å; V27-I101 HydrophobicContact CG1-CD1 4.38Å; V27-I101 HydrophobicContact CG2-CD1 4.38Å
28Q98.2Very high95Very high20 Ų2072.6 Ų72.69%0.09336%0.363CS..SBendtrans-74.2138.3179.7-177.4170-38.900109.8Q9 D26 I32 T34 R38 M39Q9-Q28 VanDerWaalsContact CB-O 3.3Å; Q9-Q28 WeakPolarHBondContact CB-O 3.31Å; Q9-Q28 VanDerWaalsContact CG-O 3.28Å; Q9-Q28 WeakPolarHBondContact CG-O 3.28Å; D26-Q28 PolarHBondContact OD1-N 3.2Å; Q28-I32 HydrophobicContact CG-CB 4.47Å; Q28-I32 PolarHBondContact NE2-O 3.34Å; Q28-T34 PolarHBondContact NE2-OG1 2.97Å; Q28-T34 PolarHBondContact OE1-OG1 2.66Å; Q28-R38 PolarHBondContact O-NH2 3.34Å; Q28-M39 HydrophobicContact CB-CB 4.06Å; Q28-M39 PolarHBondContact N-O 3.49Å
29S97.7Very high95.6Very high40 Ų4066 Ų6628%0.2833%0.333SS..  trans-65.5137.4173.9-178.10000111.1I31 I32S29-I31 PolarHBondContact O-N 3.21Å; S29-I31 VanDerWaalsContact OG-CG1 3.26Å; S29-I31 WeakPolarHBondContact OG-CG1 3.37Å; S29-I32 PolarHBondContact O-N 3.46Å
30D96.1Very high96.3Very high55 Ų5563.4 Ų63.429%0.29431%0.314SS..THydrogen-bonded Turntrans-69.6-15.4-178.3-66.2-34.8000114.1E7 M8 Q9 I32 R38E7-D30 WeakPolarHBondContact CA-OD2 3.14Å; M8-D30 PolarHBondContact N-OD1 3.3Å; M8-D30 PolarHBondContact N-OD2 3.32Å; Q9-D30 PolarHBondContact N-OD1 3.33Å; Q9-D30 VanDerWaalsContact N-OD1 3.14Å; Q9-D30 PolarHBondContact N-OD2 3.1Å; Q9-D30 VanDerWaalsContact N-OD2 3.09Å; D30-I32 VanDerWaalsContact C-N 3.33Å; D30-R38 IonicContact OD1-CZ 3.67Å; D30-R38 IonicContact OD1-NH1 2.68Å; D30-R38 PolarHBondContact OD1-NH1 2.81Å; D30-R38 IonicContact OD1-NH2 3.5Å; D30-R38 PolarHBondContact OD1-NH2 2.85Å
31I96Very high96.8Very high153 Ų15353 Ų5379%0.78528%0.275SS*.THydrogen-bonded Turntrans-80.8-13.5172.263.2159.1000113.1S29S29-I31 PolarHBondContact O-N 3.21Å; S29-I31 VanDerWaalsContact OG-CG1 3.26Å; S29-I31 WeakPolarHBondContact OG-CG1 3.37Å
32I95.8Very high97Very high91 Ų9152 Ų5247%0.46727%0.272SS..SBendtrans-94.7110.2-179.2-57.4-59.5000109.3Q28 S29 D30 T34Q28-I32 HydrophobicContact CG-CB 4.47Å; Q28-I32 PolarHBondContact NE2-O 3.34Å; S29-I32 PolarHBondContact O-N 3.46Å; D30-I32 VanDerWaalsContact C-N 3.33Å; I32-T34 HydrophobicContact CG2-CG2 4.37Å
33D93.7Very high97.2Very high138 Ų13844.2 Ų44.274%0.73824%0.242SC*.  trans-84.6119.7176.6-17319000111.4
34T94.3Very high97.1Very high50 Ų5043.8 Ų43.831%0.30724%0.241SC..  trans-127.194.8169.853.10000108.7Q28 I32 G36 R37Q28-T34 PolarHBondContact NE2-OG1 2.97Å; Q28-T34 PolarHBondContact OE1-OG1 2.66Å; I32-T34 HydrophobicContact CG2-CG2 4.37Å; T34-G36 PolarHBondContact O-N 3.09Å; T34-G36 VanDerWaalsContact O-N 3.11Å; T34-R37 PolarHBondContact O-N 3.36Å; T34-R37 PolarHBondContact OG1-O 2.96Å
35P94.7Very high97Very high109 Ų10944.9 Ų44.971%0.70825%0.249SC*.THydrogen-bonded Turntrans-51.1119.7-170.1-32.336.6000113.5R37P35-R37 VanDerWaalsContact C-N 3.29Å; P35-R37 PolarHBondContact O-N 2.92Å
36G95.8Very high96.8Very high36 Ų3645.9 Ų45.937%0.37126%0.257SS..THydrogen-bonded Turntrans72.911.3176.300000115.6T34 P79 I80T34-G36 PolarHBondContact O-N 3.09Å; T34-G36 VanDerWaalsContact O-N 3.11Å; G36-P79 CarbonylContact O-C 3.56Å; G36-P79 VanDerWaalsContact O-CA 3.31Å; G36-P79 WeakPolarHBondContact O-CA 3.32Å; G36-I80 PolarHBondContact O-N 2.91Å
37R97.4Very high96.5Very high109 Ų10956.9 Ų56.941%0.41130%0.299SS..EExtended strand (participates in β ladder)trans-140.6158.6-178.1-52.9-171.168.282.12.5112.5T34 P35 S77 V78T34-R37 PolarHBondContact O-N 3.36Å; T34-R37 PolarHBondContact OG1-O 2.96Å; P35-R37 VanDerWaalsContact C-N 3.29Å; P35-R37 PolarHBondContact O-N 2.92Å; R37-S77 PolarHBondContact NE-OG 2.86Å; R37-S77 PolarHBondContact NH2-O 3.05Å; R37-S77 PolarHBondContact NH2-OG 2.75Å; R37-V78 CarbonylContact C-O 3.57Å; R37-V78 VanDerWaalsContact CA-O 3.25Å; R37-V78 WeakPolarHBondContact CA-O 3.42Å
38R97.9Very high96.1Very high22 Ų2262.9 Ų62.98%0.08333%0.33CS..EExtended strand (participates in β ladder)trans-141.6146.3171-66.8-65.2-69.6-163.7-11.4111D26 Q28 D30 V40 S77 V78 I83D26-R38 VanDerWaalsContact CG-NH2 3.29Å; D26-R38 IonicContact OD1-CZ 2.78Å; D26-R38 IonicContact OD1-NE 3.43Å; D26-R38 PolarHBondContact OD1-NE 3.07Å; D26-R38 IonicContact OD1-NH2 2.72Å; D26-R38 PolarHBondContact OD1-NH2 3.14Å; D26-R38 WeakPolarHBondContact OD2-CB 3.41Å; D26-R38 WeakPolarHBondContact OD2-CG 3.29Å; D26-R38 IonicContact OD2-CZ 2.68Å; D26-R38 IonicContact OD2-NE 2.59Å; D26-R38 PolarHBondContact OD2-NE 3.31Å; D26-R38 IonicContact OD2-NH2 3.42Å; D26-R38 PolarHBondContact OD2-NH2 3.31Å; Q28-R38 PolarHBondContact O-NH2 3.34Å; D30-R38 IonicContact OD1-CZ 3.67Å; D30-R38 IonicContact OD1-NH1 2.68Å; D30-R38 PolarHBondContact OD1-NH1 2.81Å; D30-R38 IonicContact OD1-NH2 3.5Å; D30-R38 PolarHBondContact OD1-NH2 2.85Å; R38-V40 HydrophobicContact CB-CG1 4.35Å; R38-S77 CarbonylContact O-C 3.51Å; R38-S77 VanDerWaalsContact O-CA 3.27Å; R38-S77 WeakPolarHBondContact O-CA 3.22Å; R38-V78 PolarHBondContact N-O 3.49Å; R38-V78 PolarHBondContact O-N 3.06Å; R38-I83 HydrophobicContact CB-CD1 4.39Å; R38-I83 HydrophobicContact CG-CD1 4.1Å
39M98.4Very high95.7Very high65 Ų6563.7 Ų63.732%0.3233%0.334SS..EExtended strand (participates in β ladder)trans-83.3128.9169.1-170.563.565.500110.3V27 Q28 M75 A76V27-M39 HydrophobicContact CG2-CB 4.43Å; V27-M39 HydrophobicContact CG2-CG 4.05Å; V27-M39 PolarHBondContact N-O 3.08Å; Q28-M39 HydrophobicContact CB-CB 4.06Å; Q28-M39 PolarHBondContact N-O 3.49Å; M39-M75 HydrophobicContact CG-CG 3.8Å; M39-M75 HydrophobicContact CG-SD 3.84Å; M39-M75 HydrophobicContact SD-CG 3.62Å; M39-M75 HydrophobicContact SD-SD 4.21Å; M39-A76 VanDerWaalsContact SD-O 3.38Å
40V98.4Very high95.3Very high0 Ų065 Ų650%034%0.344CS..EExtended strand (participates in β ladder)trans-136.6156-173.7-51.80000111.6F24 V25 R38 M75 A76 V78F24-V40 HydrophobicContact CB-CB 4.17Å; F24-V40 HydrophobicContact CB-CG2 4.09Å; F24-V40 HydrophobicContact CD2-CB 3.58Å; F24-V40 HydrophobicContact CD2-CG1 3.47Å; F24-V40 VanDerWaalsContact CD2-CG1 3.47Å; F24-V40 HydrophobicContact CD2-CG2 3.91Å; F24-V40 HydrophobicContact CE2-CB 4.33Å; F24-V40 HydrophobicContact CE2-CG1 3.72Å; F24-V40 HydrophobicContact CG-CB 4.18Å; F24-V40 HydrophobicContact CG-CG1 4.46Å; F24-V40 HydrophobicContact CG-CG2 4.11Å; V25-V40 CarbonylContact O-C 3.57Å; V25-V40 WeakPolarHBondContact O-CA 3.28Å; V25-V40 WeakPolarHBondContact O-CB 3.47Å; R38-V40 HydrophobicContact CB-CG1 4.35Å; V40-M75 VanDerWaalsContact O-CA 3.31Å; V40-M75 WeakPolarHBondContact O-CA 3.28Å; V40-M75 WeakPolarHBondContact O-CG 3.49Å; V40-A76 WeakPolarHBondContact CG2-O 3.36Å; V40-A76 PolarHBondContact N-O 2.83Å; V40-A76 PolarHBondContact O-N 3.13Å; V40-V78 HydrophobicContact CB-CG2 4.45Å; V40-V78 HydrophobicContact CG1-CG2 3.63Å; V40-V78 HydrophobicContact CG2-CB 4.4Å; V40-V78 HydrophobicContact CG2-CG1 3.65Å; V40-V78 HydrophobicContact CG2-CG2 3.89Å
41I98.6Very high94.8Very high0 Ų068.5 Ų68.50%036%0.363CS..EExtended strand (participates in β ladder)trans-111.6120169.1-62.9179.7000108.5F24 V25 V27 M70 T72 M75 I101F24-I41 CarbonylContact C-O 3.52Å; F24-I41 VanDerWaalsContact CA-O 3.29Å; F24-I41 WeakPolarHBondContact CA-O 3.19Å; F24-I41 WeakPolarHBondContact CB-O 3.44Å; V25-I41 HydrophobicContact CG1-CB 3.91Å; V25-I41 PolarHBondContact N-O 3.34Å; V25-I41 PolarHBondContact O-N 2.89Å; V27-I41 HydrophobicContact CG1-CB 4.38Å; V27-I41 HydrophobicContact CG1-CD1 3.78Å; V27-I41 HydrophobicContact CG1-CG1 3.85Å; V27-I41 HydrophobicContact CG2-CD1 4.4Å; V27-I41 HydrophobicContact CG2-CG1 4.06Å; I41-M70 HydrophobicContact CB-CE 4.22Å; I41-M70 HydrophobicContact CD1-CE 3.83Å; I41-M70 HydrophobicContact CG2-CB 4.13Å; I41-M70 HydrophobicContact CG2-CE 4.11Å; I41-T72 HydrophobicContact CD1-CG2 4.18Å; I41-M75 HydrophobicContact CG1-CB 4Å; I41-M75 HydrophobicContact CG1-CG 3.95Å; I41-M75 HydrophobicContact CG1-SD 4.29Å; I41-I101 HydrophobicContact CD1-CD1 4.1Å; I41-I101 HydrophobicContact CD1-CG1 3.98Å
42P98.3Very high94.6Very high5 Ų570.7 Ų70.73%0.03237%0.366CS..EExtended strand (participates in β ladder)trans-65.6150.9175.9-18.130.5000112.9Y21 M71 D74Y21-P42 HydrophobicContact CD1-CB 4.03Å; Y21-P42 HydrophobicContact CD2-CB 3.31Å; Y21-P42 HydrophobicContact CD2-CG 3.82Å; Y21-P42 HydrophobicContact CE1-CB 4.44Å; Y21-P42 HydrophobicContact CE2-CB 3.75Å; Y21-P42 HydrophobicContact CE2-CG 4.04Å; Y21-P42 HydrophobicContact CG-CB 3.45Å; Y21-P42 VanDerWaalsContact CG-CB 3.45Å; Y21-P42 HydrophobicContact CG-CG 4.44Å; P42-M71 WeakPolarHBondContact O-CB 3.47Å; P42-M71 PolarHBondContact O-N 3.11Å; P42-D74 VanDerWaalsContact CD-O 3.32Å; P42-D74 WeakPolarHBondContact CD-O 3.41Å; P42-D74 HydrophobicContact CG-CB 4.16Å
43L98Very high94.4Very high1 Ų168.4 Ų68.41%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-108.4129.5174.7-54.8-175.6000110.5V12 L23 V25 V61 V63 W68 R69 M70V12-L43 HydrophobicContact CG1-CD1 3.78Å; L23-L43 HydrophobicContact CB-CB 4.06Å; L23-L43 HydrophobicContact CB-CD1 4.01Å; L23-L43 HydrophobicContact CB-CG 4.3Å; L23-L43 PolarHBondContact O-N 2.98Å; V25-L43 HydrophobicContact CG1-CD2 4.33Å; L43-V61 HydrophobicContact CD1-CG2 4.41Å; L43-V61 HydrophobicContact CD2-CG2 4.26Å; L43-V63 HydrophobicContact CD1-CG2 4.21Å; L43-W68 HydrophobicContact CB-CB 4.2Å; L43-W68 HydrophobicContact CB-CD2 4.3Å; L43-W68 HydrophobicContact CB-CE3 3.79Å; L43-W68 HydrophobicContact CB-CG 4.47Å; L43-W68 HydrophobicContact CD1-CB 4.41Å; L43-R69 WeakPolarHBondContact CA-O 3.31Å; L43-M70 HydrophobicContact CD2-CB 4.31Å; L43-M70 HydrophobicContact CD2-CG 3.6Å
44A96.2Very high94.4Very high10 Ų1064.2 Ų64.28%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-107.4149.5170.800000110.3Y21 A46 L49 W68 R69 M71Y21-A44 HydrophobicContact CD1-CB 4.32Å; Y21-A44 HydrophobicContact CE1-CB 4.01Å; A44-A46 PolarHBondContact O-N 2.78Å; A44-L49 HydrophobicContact CB-CD1 4.33Å; A44-W68 CarbonylContact O-C 3.58Å; A44-W68 VanDerWaalsContact O-CA 3.31Å; A44-W68 WeakPolarHBondContact O-CA 3.43Å; A44-R69 PolarHBondContact N-O 3.3Å; A44-R69 PolarHBondContact O-N 2.89Å; A44-M71 HydrophobicContact CB-CG 3.73Å; A44-M71 HydrophobicContact CB-SD 3.65Å
45S95.2Very high94.4Very high23 Ų2369.4 Ų69.416%0.16135%0.352CS..EExtended strand (participates in β ladder)trans-57.3130.3172.31790000109.3R47 L48S45-R47 PolarHBondContact O-N 3Å; S45-R47 VanDerWaalsContact O-N 3.08Å; S45-L48 WeakPolarHBondContact O-CB 3.41Å; S45-L48 PolarHBondContact O-N 3.24Å
46A94.6Very high94.5Very high21 Ų2171 Ų7117%0.17435%0.35CS..G310 helixtrans-60.1-25.3-178.100000112.4A44 L48 L49 S67 R69A44-A46 PolarHBondContact O-N 2.78Å; A46-L48 PolarHBondContact O-N 2.94Å; A46-L49 PolarHBondContact O-N 2.55Å; A46-S67 WeakPolarHBondContact CB-O 3.39Å; A46-S67 PolarHBondContact N-O 2.8Å; A46-R69 HydrophobicContact CB-CG 3.99Å
47R92.7Very high94.6Very high231 Ų23171 Ų7187%0.87234%0.341SS*.G310 helixtrans-63.4-18.5176.6-58.3-179.1-176.5-1792.2113.7S45S45-R47 PolarHBondContact O-N 3Å; S45-R47 VanDerWaalsContact O-N 3.08Å
48L90.2Very high94.6Very high141 Ų14167.9 Ų67.974%0.73833%0.33SS*.G310 helixtrans-84.8-13.4179.8-62175.4000113.1S45 A46S45-L48 WeakPolarHBondContact O-CB 3.41Å; S45-L48 PolarHBondContact O-N 3.24Å; A46-L48 PolarHBondContact O-N 2.94Å
49L89.6Confident94.6Very high37 Ų3767 Ų6719%0.19433%0.327CS..SBendtrans-110.8140.6-177.3-83.370.8000110.3A44 A46 V53 R69 M71A44-L49 HydrophobicContact CB-CD1 4.33Å; A46-L49 PolarHBondContact O-N 2.55Å; L49-V53 HydrophobicContact CB-CG2 4.35Å; L49-V53 HydrophobicContact CD2-CB 4.38Å; L49-V53 HydrophobicContact CD2-CG1 3.97Å; L49-V53 HydrophobicContact CD2-CG2 4.42Å; L49-V53 HydrophobicContact CG-CG2 4.5Å; L49-R69 HydrophobicContact CB-CG 4.29Å; L49-R69 HydrophobicContact CD2-CB 3.93Å; L49-R69 HydrophobicContact CD2-CG 3.86Å; L49-R69 HydrophobicContact CG-CG 4.47Å; L49-M71 HydrophobicContact CD1-SD 4.18Å; L49-M71 HydrophobicContact CD2-CE 4.24Å; L49-M71 HydrophobicContact CD2-SD 3.97Å
50S88.6Confident94.6Very high68 Ų6865.5 Ų65.548%0.47632%0.321SS..  trans-65.7149.6170.7179.90000111K52 V53 R69S50-K52 PolarHBondContact O-N 3.35Å; S50-K52 VanDerWaalsContact O-N 3.14Å; S50-K52 PolarHBondContact OG-N 3.44Å; S50-V53 WeakPolarHBondContact O-CB 3.31Å; S50-V53 WeakPolarHBondContact O-CG2 3.43Å; S50-V53 PolarHBondContact O-N 2.9Å; S50-R69 PolarHBondContact O-NH2 3.36Å
51D87.5Confident94.5Very high129 Ų12965.5 Ų65.569%0.6932%0.321SS*.THydrogen-bonded Turntrans-61.5-16.7170.6-75.8-45.3000113.7V53 R55D51-V53 PolarHBondContact O-N 3.42Å; D51-R55 IonicContact OD1-NH2 3.47Å; D51-R55 PolarHBondContact OD1-NH2 3.47Å
52K90.7Very high94.4Very high199 Ų19970.8 Ų70.887%0.86535%0.346SS*.THydrogen-bonded Turntrans-70.2-14.7173.3-63.8-176.8179.2-179.40113.4S50S50-K52 PolarHBondContact O-N 3.35Å; S50-K52 VanDerWaalsContact O-N 3.14Å; S50-K52 PolarHBondContact OG-N 3.44Å
53V91.1Very high94.3Very high42 Ų4271.3 Ų71.326%0.25535%0.349SS..SBendtrans-75.3125.6178.2-179.30000109.6L49 S50 D51 R55 Y58 R69L49-V53 HydrophobicContact CB-CG2 4.35Å; L49-V53 HydrophobicContact CD2-CB 4.38Å; L49-V53 HydrophobicContact CD2-CG1 3.97Å; L49-V53 HydrophobicContact CD2-CG2 4.42Å; L49-V53 HydrophobicContact CG-CG2 4.5Å; S50-V53 WeakPolarHBondContact O-CB 3.31Å; S50-V53 WeakPolarHBondContact O-CG2 3.43Å; S50-V53 PolarHBondContact O-N 2.9Å; D51-V53 PolarHBondContact O-N 3.42Å; V53-R55 PolarHBondContact O-N 2.99Å; V53-Y58 HydrophobicContact CG1-CD2 3.26Å; V53-Y58 HydrophobicContact CG1-CE2 3.81Å; V53-Y58 HydrophobicContact CG1-CG 3.89Å; V53-R69 PolarHBondContact O-NH1 3.19Å; V53-R69 PolarHBondContact O-NH2 3.19Å
54S93.7Very high94.1Very high50 Ų5074.6 Ų74.635%0.3538%0.383SS..  trans-48.2126.5-177.5173.40000111.8E56 L57 Y58 R69S54-E56 VanDerWaalsContact C-N 3.32Å; S54-E56 PolarHBondContact OG-N 2.88Å; S54-L57 PolarHBondContact OG-N 3.05Å; S54-L57 VanDerWaalsContact OG-N 3.16Å; S54-Y58 WeakPolarHBondContact O-CB 3.41Å; S54-Y58 PolarHBondContact O-N 3.31Å; S54-R69 PolarHBondContact O-NH1 3.47Å
55R95.6Very high94Very high160 Ų16082.4 Ų82.460%0.60442%0.423SS*.THydrogen-bonded Turntrans-80.2-18.1174.2-68.9179.2179.8-1690.1112.2D51 V53 Y58 P59 V60D51-R55 IonicContact OD1-NH2 3.47Å; D51-R55 PolarHBondContact OD1-NH2 3.47Å; V53-R55 PolarHBondContact O-N 2.99Å; R55-Y58 CarbonylContact O-C 3.59Å; R55-P59 VanDerWaalsContact O-CA 3.28Å; R55-P59 WeakPolarHBondContact O-CA 3.21Å; R55-V60 HydrophobicContact CG-CG2 4.49Å
56E96.4Very high94Very high142 Ų14285.7 Ų85.766%0.66444%0.436SS*.THydrogen-bonded Turntrans-74.3-45.3174.2-64.2164.6-175.100110.2S54 A100 L103S54-E56 VanDerWaalsContact C-N 3.32Å; S54-E56 PolarHBondContact OG-N 2.88Å; E56-A100 VanDerWaalsContact O-CA 3.31Å; E56-A100 WeakPolarHBondContact O-CA 3.43Å; E56-A100 VanDerWaalsContact O-CB 3.23Å; E56-A100 WeakPolarHBondContact O-CB 3.27Å; E56-L103 HydrophobicContact CB-CD2 3.82Å
57L97.5Very high94.1Very high36 Ų3687 Ų8719%0.18844%0.444CS..THydrogen-bonded Turntrans-80.1-33.4177.3-174.758.7000112.6S54 P59 T72 T73 L103 M104S54-L57 PolarHBondContact OG-N 3.05Å; S54-L57 VanDerWaalsContact OG-N 3.16Å; L57-P59 VanDerWaalsContact C-CD 3.47Å; L57-P59 WeakPolarHBondContact O-CD 3.42Å; L57-T72 HydrophobicContact CD1-CG2 4.38Å; L57-T72 WeakPolarHBondContact O-CB 3.07Å; L57-T72 PolarHBondContact O-OG1 3Å; L57-T73 HydrophobicContact CD2-CG2 4.22Å; L57-L103 HydrophobicContact CB-CD2 3.91Å; L57-L103 HydrophobicContact CD1-CD2 4.48Å; L57-M104 HydrophobicContact CD1-CB 3.97Å
58Y97.8Very high94.3Very high43 Ų4376.6 Ų76.617%0.16940%0.404CS..SBendtrans-123.473.2-179.9-55.4-83.2000111.3V53 S54 R55 R69 M70 M71 T73V53-Y58 HydrophobicContact CG1-CD2 3.26Å; V53-Y58 HydrophobicContact CG1-CE2 3.81Å; V53-Y58 HydrophobicContact CG1-CG 3.89Å; S54-Y58 WeakPolarHBondContact O-CB 3.41Å; S54-Y58 PolarHBondContact O-N 3.31Å; R55-Y58 CarbonylContact O-C 3.59Å; Y58-R69 VanDerWaalsContact O-CD 3.29Å; Y58-R69 WeakPolarHBondContact O-CD 3.49Å; Y58-R69 PolarHBondContact O-NH1 3.18Å; Y58-M70 WeakPolarHBondContact CA-O 3.29Å; Y58-M70 WeakPolarHBondContact CD1-O 3.45Å; Y58-M71 HydrophobicContact CD1-CE 4.38Å; Y58-M71 HydrophobicContact CE1-CE 4.29Å; Y58-T73 HydrophobicContact CE1-CG2 4.15Å; Y58-T73 WeakPolarHBondContact CE1-OG1 3.4Å; Y58-T73 WeakPolarHBondContact OH-CG2 3.23Å; Y58-T73 PolarHBondContact OH-OG1 3.21Å
59P97.8Very high94.7Very high3 Ų370.1 Ų70.12%0.01937%0.37CS..  trans-49.8141.8-178.9-29.234.2000113.6R55 L57 R69 M70 D96 A100R55-P59 VanDerWaalsContact O-CA 3.28Å; R55-P59 WeakPolarHBondContact O-CA 3.21Å; L57-P59 VanDerWaalsContact C-CD 3.47Å; L57-P59 WeakPolarHBondContact O-CD 3.42Å; P59-R69 WeakPolarHBondContact O-CA 3.32Å; P59-M70 HydrophobicContact CB-CB 4.45Å; P59-M70 HydrophobicContact CB-CG 4.48Å; P59-M70 HydrophobicContact CB-SD 4.13Å; P59-M70 HydrophobicContact CG-SD 4.41Å; P59-M70 PolarHBondContact O-N 3.25Å; P59-D96 HydrophobicContact CB-CB 4.48Å; P59-D96 HydrophobicContact CG-CB 4.45Å; P59-A100 HydrophobicContact CG-CB 3.74Å
60V97.2Very high95.1Very high35 Ų3568.3 Ų68.321%0.21236%0.361CS..EExtended strand (participates in β ladder)trans-88126.4168.7-178.60000108.3R55 W68 R93R55-V60 HydrophobicContact CG-CG2 4.49Å; V60-W68 CarbonylContact C-O 3.53Å; V60-W68 VanDerWaalsContact CA-O 3.28Å; V60-W68 WeakPolarHBondContact CA-O 3.43Å; V60-R93 PolarHBondContact O-NH1 3.14Å; V60-R93 PolarHBondContact O-NH2 2.99Å; V60-R93 VanDerWaalsContact O-NH2 3.08Å
61V97.7Very high95.5Very high0 Ų066.1 Ų66.10%034%0.343CS..EExtended strand (participates in β ladder)trans-125.9157.8177.3-59.70000110.3L43 W68 M70 L90L43-V61 HydrophobicContact CD1-CG2 4.41Å; L43-V61 HydrophobicContact CD2-CG2 4.26Å; V61-W68 HydrophobicContact CG2-CB 3.95Å; V61-W68 PolarHBondContact N-O 2.87Å; V61-W68 PolarHBondContact O-N 2.68Å; V61-M70 HydrophobicContact CG1-CG 4.05Å; V61-M70 HydrophobicContact CG1-SD 3.84Å; V61-M70 HydrophobicContact CG2-CG 4.22Å; V61-L90 HydrophobicContact CB-CD1 4.13Å; V61-L90 HydrophobicContact CB-CD2 3.94Å; V61-L90 HydrophobicContact CG1-CD1 4.11Å; V61-L90 HydrophobicContact CG1-CD2 4.27Å; V61-L90 HydrophobicContact CG2-CD1 3.99Å; V61-L90 HydrophobicContact CG2-CD2 4.48Å
62H96.6Very high96Very high110 Ų11060 Ų6051%0.50931%0.311SS..EExtended strand (participates in β ladder)trans-111.7130.8177.7-63.794.8000109.4E66 S67H62-E66 WeakPolarHBondContact CA-O 3.38Å; H62-S67 PolarHBondContact CD2-OG 2.87Å; H62-S67 VanDerWaalsContact CD2-OG 3.31Å; H62-S67 PolarHBondContact NE2-OG 3Å; H62-S67 VanDerWaalsContact NE2-OG 3.07Å
63V96.2Very high96.4Very high17 Ų1753.3 Ų53.310%0.10329%0.286CS..EExtended strand (participates in β ladder)trans-129.4109.6173.6176.90000106.1V12 L23 L43 E66 V87 A88V12-V63 HydrophobicContact CG1-CG2 4.38Å; V12-V63 HydrophobicContact CG2-CG2 4.48Å; L23-V63 HydrophobicContact CD1-CB 4.42Å; L23-V63 HydrophobicContact CD1-CG1 4Å; L43-V63 HydrophobicContact CD1-CG2 4.21Å; V63-E66 PolarHBondContact N-O 2.78Å; V63-E66 PolarHBondContact O-N 2.75Å; V63-V87 HydrophobicContact CG1-CG2 4.04Å; V63-A88 HydrophobicContact CB-CB 4.46Å; V63-A88 HydrophobicContact CG1-CB 3.92Å; V63-A88 HydrophobicContact CG2-CB 4.12Å
64G92.9Very high96.7Very high69 Ų6954 Ų5471%0.71129%0.289SS*.THydrogen-bonded Turntrans59.1-136.4-163.600000111.1E66G64-E66 VanDerWaalsContact C-N 3.29Å; G64-E66 PolarHBondContact O-N 3.08Å
65D93.9Very high96.9Very high175 Ų17553.8 Ų53.894%0.93628%0.283SS*.THydrogen-bonded Turntrans-86.84.7178.5-60.1-42.2000113.6
66E96Very high97Very high91 Ų9148.4 Ų48.443%0.42527%0.272SS..EExtended strand (participates in β ladder)trans-102.9136.9-176.9-69.1-170.8-146.300112.2H62 V63 G64 W68H62-E66 WeakPolarHBondContact CA-O 3.38Å; V63-E66 PolarHBondContact N-O 2.78Å; V63-E66 PolarHBondContact O-N 2.75Å; G64-E66 VanDerWaalsContact C-N 3.29Å; G64-E66 PolarHBondContact O-N 3.08Å; E66-W68 HydrophobicContact CB-CZ2 4.49Å; E66-W68 VanDerWaalsContact O-CD1 3.23Å; E66-W68 WeakPolarHBondContact OE2-CZ2 3.41Å
67S96.6Very high97Very high48 Ų4843.7 Ų43.734%0.33626%0.255SS..EExtended strand (participates in β ladder)trans-88131.6169.1-51.60000110.8A46 H62A46-S67 WeakPolarHBondContact CB-O 3.39Å; A46-S67 PolarHBondContact N-O 2.8Å; H62-S67 PolarHBondContact CD2-OG 2.87Å; H62-S67 VanDerWaalsContact CD2-OG 3.31Å; H62-S67 PolarHBondContact NE2-OG 3Å; H62-S67 VanDerWaalsContact NE2-OG 3.07Å
68W97.7Very high97Very high13 Ų1342.7 Ų42.75%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-122.7151.2-179.2-62.583.5000110.8L23 L43 A44 V60 V61 E66L23-W68 HydrophobicContact CD1-CD2 4.25Å; L23-W68 HydrophobicContact CD1-CH2 4.01Å; L23-W68 HydrophobicContact CD1-CZ2 3.7Å; L23-W68 HydrophobicContact CD1-CZ3 4.41Å; L23-W68 HydrophobicContact CG-CH2 4.3Å; L23-W68 HydrophobicContact CG-CZ2 4.45Å; L43-W68 HydrophobicContact CB-CB 4.2Å; L43-W68 HydrophobicContact CB-CD2 4.3Å; L43-W68 HydrophobicContact CB-CE3 3.79Å; L43-W68 HydrophobicContact CB-CG 4.47Å; L43-W68 HydrophobicContact CD1-CB 4.41Å; A44-W68 CarbonylContact O-C 3.58Å; A44-W68 VanDerWaalsContact O-CA 3.31Å; A44-W68 WeakPolarHBondContact O-CA 3.43Å; V60-W68 CarbonylContact C-O 3.53Å; V60-W68 VanDerWaalsContact CA-O 3.28Å; V60-W68 WeakPolarHBondContact CA-O 3.43Å; V61-W68 HydrophobicContact CG2-CB 3.95Å; V61-W68 PolarHBondContact N-O 2.87Å; V61-W68 PolarHBondContact O-N 2.68Å; E66-W68 HydrophobicContact CB-CZ2 4.49Å; E66-W68 VanDerWaalsContact O-CD1 3.23Å; E66-W68 WeakPolarHBondContact OE2-CZ2 3.41Å
69R97.5Very high96.9Very high5 Ų542 Ų422%0.01925%0.251CS..EExtended strand (participates in β ladder)trans-102.8128.3169.8-74.8-79.7-157.6159.913108.8L43 A44 A46 L49 S50 V53 S54 Y58 P59 M71L43-R69 WeakPolarHBondContact CA-O 3.31Å; A44-R69 PolarHBondContact N-O 3.3Å; A44-R69 PolarHBondContact O-N 2.89Å; A46-R69 HydrophobicContact CB-CG 3.99Å; L49-R69 HydrophobicContact CB-CG 4.29Å; L49-R69 HydrophobicContact CD2-CB 3.93Å; L49-R69 HydrophobicContact CD2-CG 3.86Å; L49-R69 HydrophobicContact CG-CG 4.47Å; S50-R69 PolarHBondContact O-NH2 3.36Å; V53-R69 PolarHBondContact O-NH1 3.19Å; V53-R69 PolarHBondContact O-NH2 3.19Å; S54-R69 PolarHBondContact O-NH1 3.47Å; Y58-R69 VanDerWaalsContact O-CD 3.29Å; Y58-R69 WeakPolarHBondContact O-CD 3.49Å; Y58-R69 PolarHBondContact O-NH1 3.18Å; P59-R69 WeakPolarHBondContact O-CA 3.32Å; R69-M71 HydrophobicContact CB-SD 4.18Å; R69-M71 PolarHBondContact O-N 3.19Å
70M98.3Very high96.8Very high0 Ų046.5 Ų46.50%027%0.274CS..EExtended strand (participates in β ladder)trans-72.5113.7168.8-71.8-173.960.100109V25 I41 L43 Y58 P59 V61 T72 I97V25-M70 HydrophobicContact CG1-CE 3.61Å; V25-M70 HydrophobicContact CG1-SD 4.47Å; I41-M70 HydrophobicContact CB-CE 4.22Å; I41-M70 HydrophobicContact CD1-CE 3.83Å; I41-M70 HydrophobicContact CG2-CB 4.13Å; I41-M70 HydrophobicContact CG2-CE 4.11Å; L43-M70 HydrophobicContact CD2-CB 4.31Å; L43-M70 HydrophobicContact CD2-CG 3.6Å; Y58-M70 WeakPolarHBondContact CA-O 3.29Å; Y58-M70 WeakPolarHBondContact CD1-O 3.45Å; P59-M70 HydrophobicContact CB-CB 4.45Å; P59-M70 HydrophobicContact CB-CG 4.48Å; P59-M70 HydrophobicContact CB-SD 4.13Å; P59-M70 HydrophobicContact CG-SD 4.41Å; P59-M70 PolarHBondContact O-N 3.25Å; V61-M70 HydrophobicContact CG1-CG 4.05Å; V61-M70 HydrophobicContact CG1-SD 3.84Å; V61-M70 HydrophobicContact CG2-CG 4.22Å; M70-T72 PolarHBondContact O-N 2.59Å; M70-I97 HydrophobicContact CE-CB 4.31Å; M70-I97 HydrophobicContact CE-CD1 4.23Å; M70-I97 HydrophobicContact CE-CG1 3.74Å; M70-I97 HydrophobicContact CE-CG2 3.96Å; M70-I97 HydrophobicContact SD-CD1 4.25Å; M70-I97 HydrophobicContact SD-CG1 3.72Å
71M97.9Very high96.7Very high22 Ų2251 Ų5111%0.10829%0.291CS..  trans-82.565.6-179.6-57.3-52.5-59.800109.8Y21 P42 A44 L49 Y58 R69 T73 D74Y21-M71 HydrophobicContact CE1-CG 3.93Å; P42-M71 WeakPolarHBondContact O-CB 3.47Å; P42-M71 PolarHBondContact O-N 3.11Å; A44-M71 HydrophobicContact CB-CG 3.73Å; A44-M71 HydrophobicContact CB-SD 3.65Å; L49-M71 HydrophobicContact CD1-SD 4.18Å; L49-M71 HydrophobicContact CD2-CE 4.24Å; L49-M71 HydrophobicContact CD2-SD 3.97Å; Y58-M71 HydrophobicContact CD1-CE 4.38Å; Y58-M71 HydrophobicContact CE1-CE 4.29Å; R69-M71 HydrophobicContact CB-SD 4.18Å; R69-M71 PolarHBondContact O-N 3.19Å; M71-T73 PolarHBondContact O-N 3.04Å; M71-T73 VanDerWaalsContact O-N 3.13Å; M71-D74 HydrophobicContact CB-CB 4.04Å; M71-D74 WeakPolarHBondContact O-CA 3.35Å; M71-D74 WeakPolarHBondContact O-CB 3.23Å; M71-D74 PolarHBondContact O-N 2.83Å
72T98.1Very high96.6Very high0 Ų051.6 Ų51.60%030%0.295CS..G310 helixtrans-52.8-38.8-170.3-52.60000113.1I41 L57 M70 D74 M75 A100 I101 M104I41-T72 HydrophobicContact CD1-CG2 4.18Å; L57-T72 HydrophobicContact CD1-CG2 4.38Å; L57-T72 WeakPolarHBondContact O-CB 3.07Å; L57-T72 PolarHBondContact O-OG1 3Å; M70-T72 PolarHBondContact O-N 2.59Å; T72-D74 PolarHBondContact O-N 3.31Å; T72-M75 WeakPolarHBondContact O-CB 3.26Å; T72-M75 PolarHBondContact O-N 3.42Å; T72-M75 VanDerWaalsContact O-N 3.14Å; T72-A100 HydrophobicContact CG2-CB 4.09Å; T72-I101 HydrophobicContact CG2-CG1 4.42Å; T72-M104 HydrophobicContact CG2-CB 4.4Å; T72-M104 HydrophobicContact CG2-SD 4.13Å
73T97.4Very high96.5Very high58 Ų5847.1 Ų47.136%0.35627%0.274SS..G310 helixtrans-71.4-14.9177.955.80000114.6L57 Y58 M71 M75 M104L57-T73 HydrophobicContact CD2-CG2 4.22Å; Y58-T73 HydrophobicContact CE1-CG2 4.15Å; Y58-T73 WeakPolarHBondContact CE1-OG1 3.4Å; Y58-T73 WeakPolarHBondContact OH-CG2 3.23Å; Y58-T73 PolarHBondContact OH-OG1 3.21Å; M71-T73 PolarHBondContact O-N 3.04Å; M71-T73 VanDerWaalsContact O-N 3.13Å; T73-M75 VanDerWaalsContact C-N 3.3Å; T73-M104 HydrophobicContact CG2-SD 4.41Å
74D97.6Very high96.6Very high58 Ų5847.1 Ų47.131%0.3128%0.278SS..G310 helixtrans-95.114.3174.3-72.429.4000111.3Y21 P42 M71 T72 A76Y21-D74 HydrophobicContact CE2-CB 4.43Å; Y21-D74 WeakPolarHBondContact CE2-OD2 3.41Å; Y21-D74 PolarHBondContact OH-OD2 2.99Å; P42-D74 VanDerWaalsContact CD-O 3.32Å; P42-D74 WeakPolarHBondContact CD-O 3.41Å; P42-D74 HydrophobicContact CG-CB 4.16Å; M71-D74 HydrophobicContact CB-CB 4.04Å; M71-D74 WeakPolarHBondContact O-CA 3.35Å; M71-D74 WeakPolarHBondContact O-CB 3.23Å; M71-D74 PolarHBondContact O-N 2.83Å; T72-D74 PolarHBondContact O-N 3.31Å; D74-A76 PolarHBondContact O-N 3.2Å
75M98.2Very high96.7Very high45 Ų4551.1 Ų51.122%0.22228%0.278CS..  trans-54131.4175.3-177.9176.658.800110.8V27 M39 V40 I41 T72 T73 F105V27-M75 HydrophobicContact CG2-SD 4.1Å; M39-M75 HydrophobicContact CG-CG 3.8Å; M39-M75 HydrophobicContact CG-SD 3.84Å; M39-M75 HydrophobicContact SD-CG 3.62Å; M39-M75 HydrophobicContact SD-SD 4.21Å; V40-M75 VanDerWaalsContact O-CA 3.31Å; V40-M75 WeakPolarHBondContact O-CA 3.28Å; V40-M75 WeakPolarHBondContact O-CG 3.49Å; I41-M75 HydrophobicContact CG1-CB 4Å; I41-M75 HydrophobicContact CG1-CG 3.95Å; I41-M75 HydrophobicContact CG1-SD 4.29Å; T72-M75 WeakPolarHBondContact O-CB 3.26Å; T72-M75 PolarHBondContact O-N 3.42Å; T72-M75 VanDerWaalsContact O-N 3.14Å; T73-M75 VanDerWaalsContact C-N 3.3Å; M75-F105 HydrophobicContact CE-CE2 3.64Å; M75-F105 HydrophobicContact CE-CZ 3.61Å
76A97.7Very high96.9Very high46 Ų4647.2 Ų47.238%0.3825%0.254SS..EExtended strand (participates in β ladder)trans-151.8156.8-176.500000112.3M39 V40 D74M39-A76 VanDerWaalsContact SD-O 3.38Å; V40-A76 WeakPolarHBondContact CG2-O 3.36Å; V40-A76 PolarHBondContact N-O 2.83Å; V40-A76 PolarHBondContact O-N 3.13Å; D74-A76 PolarHBondContact O-N 3.2Å
77S97.7Very high96.9Very high44 Ų4445.8 Ų45.831%0.30825%0.252SS..EExtended strand (participates in β ladder)trans-81.7127.5169.11780000110.2R37 R38R37-S77 PolarHBondContact NE-OG 2.86Å; R37-S77 PolarHBondContact NH2-O 3.05Å; R37-S77 PolarHBondContact NH2-OG 2.75Å; R38-S77 CarbonylContact O-C 3.51Å; R38-S77 VanDerWaalsContact O-CA 3.27Å; R38-S77 WeakPolarHBondContact O-CA 3.22Å
78V96.4Very high97Very high14 Ų1444.6 Ų44.69%0.08525%0.245CC..EExtended strand (participates in β ladder)trans-113.9146.6175.3-61.50000111.1Y15 F24 R37 R38 V40 V82 I83Y15-V78 HydrophobicContact CE1-CG1 4.24Å; F24-V78 HydrophobicContact CE2-CG2 4.45Å; R37-V78 CarbonylContact C-O 3.57Å; R37-V78 VanDerWaalsContact CA-O 3.25Å; R37-V78 WeakPolarHBondContact CA-O 3.42Å; R38-V78 PolarHBondContact N-O 3.49Å; R38-V78 PolarHBondContact O-N 3.06Å; V40-V78 HydrophobicContact CB-CG2 4.45Å; V40-V78 HydrophobicContact CG1-CG2 3.63Å; V40-V78 HydrophobicContact CG2-CB 4.4Å; V40-V78 HydrophobicContact CG2-CG1 3.65Å; V40-V78 HydrophobicContact CG2-CG2 3.89Å; V78-V82 HydrophobicContact CB-CG2 3.71Å; V78-V82 HydrophobicContact CG1-CG2 4.4Å; V78-V82 HydrophobicContact CG2-CG2 4.14Å; V78-I83 HydrophobicContact CG2-CG1 4.47Å
79P96.3Very high97Very high28 Ų2846.9 Ų46.918%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-75.9146.3173.831.2-33.8000111.6G36 F81 V82G36-P79 CarbonylContact O-C 3.56Å; G36-P79 VanDerWaalsContact O-CA 3.31Å; G36-P79 WeakPolarHBondContact O-CA 3.32Å; P79-F81 HydrophobicContact CB-CD1 3.65Å; P79-F81 HydrophobicContact CB-CE1 3.3Å; P79-F81 HydrophobicContact CB-CG 4.44Å; P79-F81 HydrophobicContact CB-CZ 3.83Å; P79-F81 HydrophobicContact CG-CD1 4Å; P79-F81 HydrophobicContact CG-CD2 4.45Å; P79-F81 HydrophobicContact CG-CE1 3.39Å; P79-F81 HydrophobicContact CG-CE2 3.89Å; P79-F81 HydrophobicContact CG-CG 4.49Å; P79-F81 HydrophobicContact CG-CZ 3.32Å; P79-F81 PolarHBondContact O-N 2.9Å; P79-V82 HydrophobicContact CG-CG1 4.1Å; P79-V82 HydrophobicContact CG-CG2 4.38Å; P79-V82 WeakPolarHBondContact O-CG2 3.25Å; P79-V82 PolarHBondContact O-N 2.88Å
80I94.8Very high97Very high99 Ų9946.6 Ų46.651%0.50826%0.257SS..G310 helixtrans-56-27.8-174.956.1168.6000114.3G36 V82 I83G36-I80 PolarHBondContact O-N 2.91Å; I80-V82 PolarHBondContact O-N 2.86Å; I80-I83 HydrophobicContact CG2-CD1 4.35Å; I80-I83 WeakPolarHBondContact O-CB 3.27Å; I80-I83 PolarHBondContact O-N 2.83Å; I80-I83 VanDerWaalsContact O-N 3.09Å
81F94.8Very high97Very high129 Ų12949.2 Ų49.257%0.56628%0.275SS*.G310 helixtrans-69.8-14.6-178.865.7-104.8000113.5K16 P79K16-F81 WeakPolarHBondContact CD-O 3.49Å; P79-F81 HydrophobicContact CB-CD1 3.65Å; P79-F81 HydrophobicContact CB-CE1 3.3Å; P79-F81 HydrophobicContact CB-CG 4.44Å; P79-F81 HydrophobicContact CB-CZ 3.83Å; P79-F81 HydrophobicContact CG-CD1 4Å; P79-F81 HydrophobicContact CG-CD2 4.45Å; P79-F81 HydrophobicContact CG-CE1 3.39Å; P79-F81 HydrophobicContact CG-CE2 3.89Å; P79-F81 HydrophobicContact CG-CG 4.49Å; P79-F81 HydrophobicContact CG-CZ 3.32Å; P79-F81 PolarHBondContact O-N 2.9Å
82V95.3Very high97Very high13 Ų1354.8 Ų54.88%0.07930%0.3CS..G310 helixtrans-89.4-9.8172.7-54.80000113.3Y15 K16 R17 V78 P79 I80 G84Y15-V82 HydrophobicContact CD1-CG2 4.36Å; Y15-V82 HydrophobicContact CE1-CG2 4.46Å; K16-V82 PolarHBondContact N-O 2.94Å; R17-V82 HydrophobicContact CG-CG1 4.42Å; V78-V82 HydrophobicContact CB-CG2 3.71Å; V78-V82 HydrophobicContact CG1-CG2 4.4Å; V78-V82 HydrophobicContact CG2-CG2 4.14Å; P79-V82 HydrophobicContact CG-CG1 4.1Å; P79-V82 HydrophobicContact CG-CG2 4.38Å; P79-V82 WeakPolarHBondContact O-CG2 3.25Å; P79-V82 PolarHBondContact O-N 2.88Å; I80-V82 PolarHBondContact O-N 2.86Å; V82-G84 PolarHBondContact O-N 3.01Å
83I96.4Very high97Very high15 Ų1557.1 Ų57.18%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-75.9115.7-179.5-52-178.7000109.4M8 Y13 K16 F24 R38 V78 I80M8-I83 HydrophobicContact CE-CD1 4.18Å; Y13-I83 HydrophobicContact CD1-CG2 3.57Å; Y13-I83 HydrophobicContact CD2-CG2 3.93Å; Y13-I83 HydrophobicContact CE1-CG2 4.14Å; Y13-I83 HydrophobicContact CE2-CG2 4.43Å; Y13-I83 HydrophobicContact CG-CG2 3.48Å; Y13-I83 VanDerWaalsContact CG-CG2 3.48Å; K16-I83 VanDerWaalsContact CD-O 3.28Å; K16-I83 WeakPolarHBondContact CD-O 3.34Å; K16-I83 WeakPolarHBondContact CE-O 3.44Å; K16-I83 PolarHBondContact NZ-O 3.31Å; F24-I83 HydrophobicContact CE2-CG1 4.25Å; F24-I83 HydrophobicContact CE2-CG2 4.43Å; F24-I83 HydrophobicContact CZ-CB 4.17Å; F24-I83 HydrophobicContact CZ-CG1 3.9Å; F24-I83 HydrophobicContact CZ-CG2 4.09Å; R38-I83 HydrophobicContact CB-CD1 4.39Å; R38-I83 HydrophobicContact CG-CD1 4.1Å; V78-I83 HydrophobicContact CG2-CG1 4.47Å; I80-I83 HydrophobicContact CG2-CD1 4.35Å; I80-I83 WeakPolarHBondContact O-CB 3.27Å; I80-I83 PolarHBondContact O-N 2.83Å; I80-I83 VanDerWaalsContact O-N 3.09Å
84G96.6Very high97Very high18 Ų1857.9 Ų57.919%0.18631%0.309CS..EExtended strand (participates in β ladder)trans-87.4-149.9-178.900000113.8A14 V82A14-G84 WeakPolarHBondContact O-CA 3.19Å; A14-G84 PolarHBondContact O-N 2.84Å; V82-G84 PolarHBondContact O-N 3.01Å
85E95.9Very high97Very high152 Ų15260.7 Ų60.771%0.7132%0.324SS*.EExtended strand (participates in β ladder)trans-66.3142.1174.5-173.7177.9-172.800110.5Y13 A14Y13-E85 VanDerWaalsContact CA-O 3.27Å; Y13-E85 WeakPolarHBondContact CA-O 3.43Å; A14-E85 PolarHBondContact N-O 2.96Å
86E97.5Very high97Very high94 Ų9461.8 Ų61.844%0.43933%0.331SS..EExtended strand (participates in β ladder)trans-73.1124.1167.7-173.7175.9136.400109K11 V12 Y13K11-E86 HydrophobicContact CB-CG 4.38Å; K11-E86 IonicContact NZ-OE1 3.31Å; V12-E86 CarbonylContact O-C 3.56Å; V12-E86 WeakPolarHBondContact O-CA 3.26Å; Y13-E86 HydrophobicContact CD1-CB 3.93Å; Y13-E86 HydrophobicContact CD1-CG 4.5Å; Y13-E86 HydrophobicContact CE1-CB 3.62Å; Y13-E86 HydrophobicContact CE1-CG 4.03Å
87V97.3Very high97.1Very high60 Ų6059.6 Ų59.636%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-116.3-16.5-174.4-60.50000113.7V12 L23 V63V12-V87 HydrophobicContact CB-CG2 4.03Å; V12-V87 HydrophobicContact CG1-CG2 3.65Å; V12-V87 PolarHBondContact O-N 3.43Å; L23-V87 HydrophobicContact CD1-CG2 4.39Å; L23-V87 HydrophobicContact CD2-CG2 3.8Å; V63-V87 HydrophobicContact CG1-CG2 4.04Å
88A97.7Very high97.1Very high24 Ų2461.9 Ų61.920%0.19832%0.317CS..EExtended strand (participates in β ladder)trans-165.4170.4177.500000112.6V12 V63V12-A88 HydrophobicContact CB-CB 4.01Å; V12-A88 HydrophobicContact CG2-CB 4.02Å; V12-A88 PolarHBondContact N-O 3.16Å; V63-A88 HydrophobicContact CB-CB 4.46Å; V63-A88 HydrophobicContact CG1-CB 3.92Å; V63-A88 HydrophobicContact CG2-CB 4.12Å
89D98Very high97.2Very high60 Ų6065.6 Ų65.632%0.32134%0.336SS..EExtended strand (participates in β ladder)trans-127.5120.6174.6-175.6-18.7000110.2K11 S91 H92K11-D89 HydrophobicContact CD-CB 4.04Å; K11-D89 IonicContact NZ-OD2 3.3Å; K11-D89 PolarHBondContact NZ-OD2 3.44Å; D89-S91 WeakPolarHBondContact OD1-CB 3.3Å; D89-S91 PolarHBondContact OD1-N 3.05Å; D89-S91 PolarHBondContact OD1-OG 2.92Å; D89-H92 PolarHBondContact O-CE1 3.09Å; D89-H92 VanDerWaalsContact O-CE1 3.31Å; D89-H92 PolarHBondContact O-ND1 3.27Å
90L98.2Very high97.3Very high0 Ų064.3 Ų64.30%033%0.328CS..  trans-105.516.8-179.7-63.3177.8000113.3F10 V12 V25 V61 H92 R93 I97F10-L90 WeakPolarHBondContact O-CB 3.16Å; F10-L90 PolarHBondContact O-N 3.27Å; V12-L90 HydrophobicContact CG2-CD1 3.5Å; V12-L90 HydrophobicContact CG2-CG 3.6Å; V25-L90 HydrophobicContact CB-CD1 4.14Å; V25-L90 HydrophobicContact CG2-CB 4.44Å; V25-L90 HydrophobicContact CG2-CD1 4.01Å; V61-L90 HydrophobicContact CB-CD1 4.13Å; V61-L90 HydrophobicContact CB-CD2 3.94Å; V61-L90 HydrophobicContact CG1-CD1 4.11Å; V61-L90 HydrophobicContact CG1-CD2 4.27Å; V61-L90 HydrophobicContact CG2-CD1 3.99Å; V61-L90 HydrophobicContact CG2-CD2 4.48Å; L90-H92 PolarHBondContact O-N 2.68Å; L90-R93 WeakPolarHBondContact O-CA 3.37Å; L90-R93 WeakPolarHBondContact O-CB 3.28Å; L90-R93 PolarHBondContact O-N 2.81Å; L90-I97 HydrophobicContact CB-CD1 4.09Å
91S97.8Very high97.4Very high54 Ų5461.2 Ų61.238%0.37831%0.312SS..G310 helixtrans-54.3-35.717552.80000112.5D89 R93 E94D89-S91 WeakPolarHBondContact OD1-CB 3.3Å; D89-S91 PolarHBondContact OD1-N 3.05Å; D89-S91 PolarHBondContact OD1-OG 2.92Å; S91-R93 PolarHBondContact O-N 3.24Å; S91-E94 VanDerWaalsContact O-CB 3.23Å; S91-E94 WeakPolarHBondContact O-CB 3.25Å; S91-E94 PolarHBondContact O-N 3.3Å
92H97.3Very high97.6Very high139 Ų13958 Ų5864%0.64430%0.301SS*.G310 helixtrans-62.6-11.1173.370-81.2000114.5D89 L90D89-H92 PolarHBondContact O-CE1 3.09Å; D89-H92 VanDerWaalsContact O-CE1 3.31Å; D89-H92 PolarHBondContact O-ND1 3.27Å; L90-H92 PolarHBondContact O-N 2.68Å
93R97.8Very high97.7Very high49 Ų4959.7 Ų59.719%0.18531%0.309CS..G310 helixtrans-109.412.6175.8-57.5-59.4-63.1-71.8-5.6112.9V60 L90 S91 N95 D96 I97V60-R93 PolarHBondContact O-NH1 3.14Å; V60-R93 PolarHBondContact O-NH2 2.99Å; V60-R93 VanDerWaalsContact O-NH2 3.08Å; L90-R93 WeakPolarHBondContact O-CA 3.37Å; L90-R93 WeakPolarHBondContact O-CB 3.28Å; L90-R93 PolarHBondContact O-N 2.81Å; S91-R93 PolarHBondContact O-N 3.24Å; R93-N95 PolarHBondContact O-N 2.85Å; R93-N95 VanDerWaalsContact O-N 3.11Å; R93-D96 IonicContact CZ-OD2 2.77Å; R93-D96 IonicContact NE-OD2 3.57Å; R93-D96 PolarHBondContact NE-OD2 3.31Å; R93-D96 IonicContact NH2-OD2 2.83Å; R93-D96 PolarHBondContact NH2-OD2 3.3Å; R93-D96 PolarHBondContact O-N 2.88Å; R93-I97 HydrophobicContact CB-CD1 4.33Å; R93-I97 HydrophobicContact CB-CG1 4.4Å; R93-I97 WeakPolarHBondContact O-CG1 3.43Å; R93-I97 PolarHBondContact O-N 2.77Å
94E98Very high97.8Very high74 Ų7462.4 Ų62.435%0.34632%0.322SS..Hα-helixtrans-44.1-47.9-178.2173.4-179.4170.800113.1F10 S91 D96 I97 K98F10-E94 HydrophobicContact CE2-CB 4.13Å; F10-E94 HydrophobicContact CE2-CG 3.88Å; F10-E94 HydrophobicContact CZ-CB 4.2Å; F10-E94 HydrophobicContact CZ-CG 3.75Å; S91-E94 VanDerWaalsContact O-CB 3.23Å; S91-E94 WeakPolarHBondContact O-CB 3.25Å; S91-E94 PolarHBondContact O-N 3.3Å; E94-D96 PolarHBondContact O-N 2.72Å; E94-I97 PolarHBondContact O-N 2.84Å; E94-K98 HydrophobicContact CG-CD 3.95Å; E94-K98 HydrophobicContact CG-CG 4.43Å; E94-K98 WeakPolarHBondContact O-CB 3.39Å; E94-K98 WeakPolarHBondContact O-CG 3.38Å; E94-K98 PolarHBondContact O-N 2.83Å; E94-K98 VanDerWaalsContact OE1-CE 3.26Å; E94-K98 WeakPolarHBondContact OE1-CE 3.32Å; E94-K98 IonicContact OE1-NZ 3.12Å; E94-K98 PolarHBondContact OE1-NZ 3.35Å
95N98.1Very high97.9Very high117 Ų11766.9 Ų66.963%0.62634%0.337SS*.Hα-helixtrans-61.4-45.2-179-71.7-24.7000112.4R93 I97 K98 N99R93-N95 PolarHBondContact O-N 2.85Å; R93-N95 VanDerWaalsContact O-N 3.11Å; N95-I97 VanDerWaalsContact C-N 3.33Å; N95-I97 PolarHBondContact O-N 2.8Å; N95-K98 PolarHBondContact O-N 3.32Å; N95-N99 VanDerWaalsContact O-CB 3.32Å; N95-N99 WeakPolarHBondContact O-CB 3.39Å; N95-N99 PolarHBondContact O-N 2.81Å; N95-N99 PolarHBondContact O-ND2 3.11Å; N95-N99 PolarHBondContact O-OD1 2.99Å
96D98Very high98Very high68 Ų6868.2 Ų68.236%0.36434%0.335SS..Hα-helixtrans-66.8-37.7179.6-64-22.5000111.3P59 R93 E94 A100P59-D96 HydrophobicContact CB-CB 4.48Å; P59-D96 HydrophobicContact CG-CB 4.45Å; R93-D96 IonicContact CZ-OD2 2.77Å; R93-D96 IonicContact NE-OD2 3.57Å; R93-D96 PolarHBondContact NE-OD2 3.31Å; R93-D96 IonicContact NH2-OD2 2.83Å; R93-D96 PolarHBondContact NH2-OD2 3.3Å; R93-D96 PolarHBondContact O-N 2.88Å; E94-D96 PolarHBondContact O-N 2.72Å; D96-A100 WeakPolarHBondContact O-CB 3.31Å; D96-A100 PolarHBondContact O-N 3.01Å
97I98.4Very high97.9Very high0 Ų066.4 Ų66.40%034%0.343CS..Hα-helixtrans-65.1-48.5177.1-61.9176.6000110.3F10 V27 M70 L90 R93 E94 N95 A100 I101F10-I97 HydrophobicContact CD1-CD1 3.71Å; F10-I97 HydrophobicContact CD1-CG2 4.36Å; F10-I97 HydrophobicContact CE1-CB 4.41Å; F10-I97 HydrophobicContact CE1-CD1 4.28Å; F10-I97 HydrophobicContact CE1-CG2 4.06Å; V27-I97 HydrophobicContact CG1-CG2 3.95Å; M70-I97 HydrophobicContact CE-CB 4.31Å; M70-I97 HydrophobicContact CE-CD1 4.23Å; M70-I97 HydrophobicContact CE-CG1 3.74Å; M70-I97 HydrophobicContact CE-CG2 3.96Å; M70-I97 HydrophobicContact SD-CD1 4.25Å; M70-I97 HydrophobicContact SD-CG1 3.72Å; L90-I97 HydrophobicContact CB-CD1 4.09Å; R93-I97 HydrophobicContact CB-CD1 4.33Å; R93-I97 HydrophobicContact CB-CG1 4.4Å; R93-I97 WeakPolarHBondContact O-CG1 3.43Å; R93-I97 PolarHBondContact O-N 2.77Å; E94-I97 PolarHBondContact O-N 2.84Å; N95-I97 VanDerWaalsContact C-N 3.33Å; N95-I97 PolarHBondContact O-N 2.8Å; I97-A100 PolarHBondContact O-N 2.9Å; I97-I101 HydrophobicContact CG2-CD1 4.05Å; I97-I101 WeakPolarHBondContact O-CG1 3.31Å; I97-I101 PolarHBondContact O-N 3.09Å; I97-I101 VanDerWaalsContact O-N 3.09Å
98K98.2Very high97Very high93 Ų9371.6 Ų71.640%0.40437%0.366SS..Hα-helixtrans-61.5-44.3177.7-77.2179.9172.4177.40111.5E94 N95 I101 N102E94-K98 HydrophobicContact CG-CD 3.95Å; E94-K98 HydrophobicContact CG-CG 4.43Å; E94-K98 WeakPolarHBondContact O-CB 3.39Å; E94-K98 WeakPolarHBondContact O-CG 3.38Å; E94-K98 PolarHBondContact O-N 2.83Å; E94-K98 VanDerWaalsContact OE1-CE 3.26Å; E94-K98 WeakPolarHBondContact OE1-CE 3.32Å; E94-K98 IonicContact OE1-NZ 3.12Å; E94-K98 PolarHBondContact OE1-NZ 3.35Å; N95-K98 PolarHBondContact O-N 3.32Å; K98-I101 PolarHBondContact O-N 3.23Å; K98-N102 WeakPolarHBondContact O-CB 3.28Å; K98-N102 VanDerWaalsContact O-CG 3.25Å; K98-N102 PolarHBondContact O-N 3Å; K98-N102 PolarHBondContact O-ND2 2.81Å
99N98.1Very high97Very high92 Ų9274 Ų7449%0.49238%0.375SS..Hα-helixtrans-63.6-41.9178.5-69.8-11000111.6N95 I101 N102 L103N95-N99 VanDerWaalsContact O-CB 3.32Å; N95-N99 WeakPolarHBondContact O-CB 3.39Å; N95-N99 PolarHBondContact O-N 2.81Å; N95-N99 PolarHBondContact O-ND2 3.11Å; N95-N99 PolarHBondContact O-OD1 2.99Å; N99-I101 PolarHBondContact O-N 3.02Å; N99-N102 PolarHBondContact O-N 3.34Å; N99-L103 VanDerWaalsContact O-CB 3.23Å; N99-L103 WeakPolarHBondContact O-CB 3.17Å; N99-L103 PolarHBondContact O-N 2.76Å
100A98.5Very high97Very high0 Ų074.7 Ų74.70%038%0.377CS..Hα-helixtrans-61.2-44176.100000112.5E56 P59 T72 D96 I97 M104E56-A100 VanDerWaalsContact O-CA 3.31Å; E56-A100 WeakPolarHBondContact O-CA 3.43Å; E56-A100 VanDerWaalsContact O-CB 3.23Å; E56-A100 WeakPolarHBondContact O-CB 3.27Å; P59-A100 HydrophobicContact CG-CB 3.74Å; T72-A100 HydrophobicContact CG2-CB 4.09Å; D96-A100 WeakPolarHBondContact O-CB 3.31Å; D96-A100 PolarHBondContact O-N 3.01Å; I97-A100 PolarHBondContact O-N 2.9Å; A100-M104 PolarHBondContact O-N 2.98Å; A100-M104 VanDerWaalsContact O-N 3.1Å
101I98.5Very high96.9Very high35 Ų3578.8 Ų78.818%0.17940%0.398CS..Hα-helixtrans-64.7-45.6176.5-67.2169.6000110.4V27 I41 T72 I97 K98 N99 M104 F105V27-I101 HydrophobicContact CB-CD1 4.14Å; V27-I101 HydrophobicContact CG1-CD1 4.38Å; V27-I101 HydrophobicContact CG2-CD1 4.38Å; I41-I101 HydrophobicContact CD1-CD1 4.1Å; I41-I101 HydrophobicContact CD1-CG1 3.98Å; T72-I101 HydrophobicContact CG2-CG1 4.42Å; I97-I101 HydrophobicContact CG2-CD1 4.05Å; I97-I101 WeakPolarHBondContact O-CG1 3.31Å; I97-I101 PolarHBondContact O-N 3.09Å; I97-I101 VanDerWaalsContact O-N 3.09Å; K98-I101 PolarHBondContact O-N 3.23Å; N99-I101 PolarHBondContact O-N 3.02Å; I101-M104 WeakPolarHBondContact O-CB 3.46Å; I101-M104 PolarHBondContact O-N 3.21Å; I101-F105 HydrophobicContact CG2-CD2 4.01Å; I101-F105 HydrophobicContact CG2-CE2 4.02Å; I101-F105 VanDerWaalsContact O-CD2 3.24Å; I101-F105 WeakPolarHBondContact O-CD2 3.16Å; I101-F105 PolarHBondContact O-N 3.5Å
102N98.2Very high96.8Very high61 Ų6180.3 Ų80.333%0.32640%0.4SS..Hα-helixtrans-62.5-43.9178.2-74.6-23.3000111.8K98 N99 M104 F105 W106K98-N102 WeakPolarHBondContact O-CB 3.28Å; K98-N102 VanDerWaalsContact O-CG 3.25Å; K98-N102 PolarHBondContact O-N 3Å; K98-N102 PolarHBondContact O-ND2 2.81Å; N99-N102 PolarHBondContact O-N 3.34Å; N102-M104 VanDerWaalsContact C-N 3.28Å; N102-M104 PolarHBondContact O-N 2.83Å; N102-F105 PolarHBondContact O-N 2.99Å; N102-W106 WeakPolarHBondContact O-CA 3.21Å; N102-W106 WeakPolarHBondContact O-CB 3.33Å; N102-W106 PolarHBondContact O-N 2.68Å
103L98.1Very high96.8Very high49 Ų4976.6 Ų76.626%0.25738%0.384SS..Hα-helixtrans-59.4-40.3176.8-178.262.9000111.4E56 L57 N99 F105 G107 I108E56-L103 HydrophobicContact CB-CD2 3.82Å; L57-L103 HydrophobicContact CB-CD2 3.91Å; L57-L103 HydrophobicContact CD1-CD2 4.48Å; N99-L103 VanDerWaalsContact O-CB 3.23Å; N99-L103 WeakPolarHBondContact O-CB 3.17Å; N99-L103 PolarHBondContact O-N 2.76Å; L103-F105 VanDerWaalsContact C-N 3.35Å; L103-F105 PolarHBondContact O-N 2.89Å; L103-G107 WeakPolarHBondContact O-CA 3.28Å; L103-G107 PolarHBondContact O-N 3.41Å; L103-G107 VanDerWaalsContact O-N 3.1Å; L103-I108 PolarHBondContact N-O 3.07Å
104M97.8Very high96.7Very high71 Ų7178.5 Ų78.535%0.3540%0.398SS..Hα-helixtrans-61.8-37.9178179.9178.1167.300113.1L57 T72 T73 A100 I101 N102L57-M104 HydrophobicContact CD1-CB 3.97Å; T72-M104 HydrophobicContact CG2-CB 4.4Å; T72-M104 HydrophobicContact CG2-SD 4.13Å; T73-M104 HydrophobicContact CG2-SD 4.41Å; A100-M104 PolarHBondContact O-N 2.98Å; A100-M104 VanDerWaalsContact O-N 3.1Å; I101-M104 WeakPolarHBondContact O-CB 3.46Å; I101-M104 PolarHBondContact O-N 3.21Å; N102-M104 VanDerWaalsContact C-N 3.28Å; N102-M104 PolarHBondContact O-N 2.83Å
105F98.2Very high96.7Very high112 Ų11278.8 Ų78.849%0.49140%0.401SS..Hα-helixtrans-98.3-33.7-175.4-69.9-68000114.3M75 I101 N102 L103M75-F105 HydrophobicContact CE-CE2 3.64Å; M75-F105 HydrophobicContact CE-CZ 3.61Å; I101-F105 HydrophobicContact CG2-CD2 4.01Å; I101-F105 HydrophobicContact CG2-CE2 4.02Å; I101-F105 VanDerWaalsContact O-CD2 3.24Å; I101-F105 WeakPolarHBondContact O-CD2 3.16Å; I101-F105 PolarHBondContact O-N 3.5Å; N102-F105 PolarHBondContact O-N 2.99Å; L103-F105 VanDerWaalsContact C-N 3.35Å; L103-F105 PolarHBondContact O-N 2.89Å
106W98Very high96.5Very high180 Ų18075.8 Ų75.868%0.68238%0.384SS*.Hα-helixtrans-119.9-14.4-167.4-48.6123.7000113.5N102 I108N102-W106 WeakPolarHBondContact O-CA 3.21Å; N102-W106 WeakPolarHBondContact O-CB 3.33Å; N102-W106 PolarHBondContact O-N 2.68Å; W106-I108 HydrophobicContact CB-CD1 4.18Å; W106-I108 HydrophobicContact CB-CG1 3.88Å; W106-I108 PolarHBondContact O-N 3.22Å
107G95.2Very high96.4Very high57 Ų5776.5 Ų76.559%0.58839%0.386SS*.  trans68.218-17900000114.6L103L103-G107 WeakPolarHBondContact O-CA 3.28Å; L103-G107 PolarHBondContact O-N 3.41Å; L103-G107 VanDerWaalsContact O-N 3.1Å
108I80Confident96.2Very high168 Ų16883.5 Ų83.586%0.86242%0.421SS*.  trans-115.70179.666.8-179.5000111.8L103 W106L103-I108 PolarHBondContact N-O 3.07Å; W106-I108 HydrophobicContact CB-CD1 4.18Å; W106-I108 HydrophobicContact CB-CG1 3.88Å; W106-I108 PolarHBondContact O-N 3.22Å

Retrieved 108 of 108 residues in 52.2 ms (Link to these results)

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