A0A077ZPK9_TRITR Loading...

tRNA bind domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPK9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 110 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
1M84.3Confident94.9Very high231 Ų231114.3 Ų114.3100%1.13859%0.594SS**  0123.70-174.6174.37700107.3
2E93.5Very high95.2Very high174 Ų174110.9 Ų110.981%0.81358%0.577SS**  trans-80.4140.5172.5-175174.7-176.800108.9
3T95.5Very high95.3Very high125 Ų125106.5 Ų106.577%0.76755%0.552SS**  trans-85.1135.7174.952.30000109.9
4V95.6Very high95.5Very high112 Ų112100.4 Ų100.468%0.67952%0.52SS*.  trans-106.2155.9176.3-62.10000111D8V4-D8 HydrophobicContact CB-CB 4.2Å
5A97.4Very high95.7Very high55 Ų5598.8 Ų98.846%0.45550%0.504SS..  trans-80.6155.9171.800000110.1A7 D8A5-A7 HydrophobicContact CB-CB 4.45Å; A5-A7 PolarHBondContact O-N 3.29Å; A5-A7 VanDerWaalsContact O-N 3.13Å; A5-D8 PolarHBondContact N-OD2 3.5Å; A5-D8 WeakPolarHBondContact O-CB 3.25Å; A5-D8 PolarHBondContact O-N 3.05Å
6Y96.1Very high95.8Very high156 Ų15693 Ų9361%0.61248%0.475SS*.Hα-helixtrans-56.1-31171.6175.2-100.1000112.3D8 F9 A10Y6-D8 PolarHBondContact O-N 3.22Å; Y6-F9 HydrophobicContact CD2-CD1 4.25Å; Y6-F9 AromaticContact CE2-CD1 3.85Å; Y6-F9 HydrophobicContact CE2-CD1 3.85Å; Y6-F9 HydrophobicContact CE2-CE1 4.3Å; Y6-F9 PolarHBondContact O-N 3.44Å; Y6-A10 HydrophobicContact CD1-CB 4.35Å; Y6-A10 HydrophobicContact CE1-CB 3.96Å; Y6-A10 WeakPolarHBondContact O-CB 3.34Å; Y6-A10 PolarHBondContact O-N 2.91Å
7A96.9Very high96Very high61 Ų6187.5 Ų87.550%0.50445%0.447SS..Hα-helixtrans-58.5-32.3175.400000112.8A5 A10 R11A5-A7 HydrophobicContact CB-CB 4.45Å; A5-A7 PolarHBondContact O-N 3.29Å; A5-A7 VanDerWaalsContact O-N 3.13Å; A7-A10 PolarHBondContact O-N 2.76Å; A7-R11 VanDerWaalsContact O-CG 3.25Å; A7-R11 WeakPolarHBondContact O-CG 3.46Å; A7-R11 PolarHBondContact O-N 3.38Å
8D96.5Very high96.1Very high68 Ų6888.2 Ų88.236%0.36445%0.446SS..Hα-helixtrans-69.1-43.8177.8-59.5-52.4000111.1V4 A5 Y6 R11V4-D8 HydrophobicContact CB-CB 4.2Å; A5-D8 PolarHBondContact N-OD2 3.5Å; A5-D8 WeakPolarHBondContact O-CB 3.25Å; A5-D8 PolarHBondContact O-N 3.05Å; Y6-D8 PolarHBondContact O-N 3.22Å; D8-R11 PolarHBondContact O-N 2.84Å
9F96.3Very high96.2Very high67 Ų6783.5 Ų83.529%0.29442%0.423SS..Hα-helixtrans-62.9-45.4172.3171.4-96.2000111.6Y6 R11 L12 M14 V110Y6-F9 HydrophobicContact CD2-CD1 4.25Å; Y6-F9 AromaticContact CE2-CD1 3.85Å; Y6-F9 HydrophobicContact CE2-CD1 3.85Å; Y6-F9 HydrophobicContact CE2-CE1 4.3Å; Y6-F9 PolarHBondContact O-N 3.44Å; F9-R11 PolarHBondContact O-N 2.88Å; F9-R11 VanDerWaalsContact O-N 3.12Å; F9-L12 WeakPolarHBondContact O-CB 3.34Å; F9-L12 PolarHBondContact O-N 3.07Å; F9-M14 HydrophobicContact CD2-CE 3.89Å; F9-M14 HydrophobicContact CE2-CE 3.23Å; F9-M14 HydrophobicContact CZ-CE 3.8Å; F9-V110 VanDerWaalsContact CE1-OXT 3.29Å; F9-V110 WeakPolarHBondContact CE1-OXT 3.31Å
10A95.6Very high96.4Very high28 Ų2882.7 Ų82.723%0.23142%0.422CS..Hα-helixtrans-63.7-20.3-177.700000113.6Y6 A7 L12 R108Y6-A10 HydrophobicContact CD1-CB 4.35Å; Y6-A10 HydrophobicContact CE1-CB 3.96Å; Y6-A10 WeakPolarHBondContact O-CB 3.34Å; Y6-A10 PolarHBondContact O-N 2.91Å; A7-A10 PolarHBondContact O-N 2.76Å; A10-L12 VanDerWaalsContact C-N 3.29Å; A10-R108 PolarHBondContact O-NH2 2.88Å; A10-R108 VanDerWaalsContact O-NH2 3.07Å
11R96.8Very high96.5Very high180 Ų18083.3 Ų83.368%0.67942%0.423SS*.THydrogen-bonded Turntrans-73.3-19172-73.3168.469.5-165.51.1113.1A7 D8 F9 E13 N68A7-R11 VanDerWaalsContact O-CG 3.25Å; A7-R11 WeakPolarHBondContact O-CG 3.46Å; A7-R11 PolarHBondContact O-N 3.38Å; D8-R11 PolarHBondContact O-N 2.84Å; F9-R11 PolarHBondContact O-N 2.88Å; F9-R11 VanDerWaalsContact O-N 3.12Å; R11-E13 PolarHBondContact O-N 2.78Å; R11-N68 PolarHBondContact O-ND2 2.79Å
12L97.4Very high97.1Very high74 Ų7473.3 Ų73.339%0.38738%0.375SS..SBendtrans-82.3113.9175.7-56.8178.6000108.9F9 A10 M14 L66F9-L12 WeakPolarHBondContact O-CB 3.34Å; F9-L12 PolarHBondContact O-N 3.07Å; A10-L12 VanDerWaalsContact C-N 3.29Å; L12-M14 VanDerWaalsContact C-N 3.25Å; L12-M14 HydrophobicContact CB-CE 4.3Å; L12-M14 HydrophobicContact CB-CG 4.24Å; L12-M14 PolarHBondContact O-N 2.96Å; L12-L66 HydrophobicContact CB-CD1 3.85Å; L12-L66 HydrophobicContact CD2-CD1 4.18Å; L12-L66 HydrophobicContact CD2-CD2 4.46Å
13E97.2Very high97.3Very high53 Ų5369 Ų6925%0.24835%0.354CS..  trans-83.375.4175.9-73.2-69.5146.600109.5R11 R15 C67 N68 R108R11-E13 PolarHBondContact O-N 2.78Å; E13-R15 IonicContact OE2-CZ 3.75Å; E13-R15 IonicContact OE2-NE 3.73Å; E13-R15 IonicContact OE2-NH2 2.93Å; E13-R15 PolarHBondContact OE2-NH2 2.93Å; E13-C67 HydrophobicContact CB-CB 4.33Å; E13-C67 WeakPolarHBondContact O-CB 3.49Å; E13-C67 PolarHBondContact O-N 2.86Å; E13-N68 HydrophobicContact CB-CB 3.84Å; E13-N68 HydrophobicContact CG-CB 4.06Å; E13-N68 PolarHBondContact N-OD1 2.71Å; E13-R108 IonicContact OE1-CZ 3.97Å; E13-R108 IonicContact OE1-NH2 3.72Å
14M97.9Very high97.4Very high22 Ų2269.8 Ų69.811%0.10834%0.342CS..EExtended strand (participates in β ladder)trans-86.4133.9175.9-67.6-175.7-66.500111.4F9 L12 I65 L66 L84 V109F9-M14 HydrophobicContact CD2-CE 3.89Å; F9-M14 HydrophobicContact CE2-CE 3.23Å; F9-M14 HydrophobicContact CZ-CE 3.8Å; L12-M14 VanDerWaalsContact C-N 3.25Å; L12-M14 HydrophobicContact CB-CE 4.3Å; L12-M14 HydrophobicContact CB-CG 4.24Å; L12-M14 PolarHBondContact O-N 2.96Å; M14-I65 CarbonylContact C-O 3.6Å; M14-I65 VanDerWaalsContact CA-O 3.24Å; M14-I65 WeakPolarHBondContact CA-O 3.15Å; M14-L66 HydrophobicContact CG-CD1 3.87Å; M14-L84 HydrophobicContact CG-CD1 4.21Å; M14-L84 HydrophobicContact SD-CD1 3.52Å; M14-L84 VanDerWaalsContact SD-CD1 3.52Å; M14-V109 HydrophobicContact CB-CB 3.84Å; M14-V109 HydrophobicContact CB-CG2 4.27Å; M14-V109 PolarHBondContact O-N 2.88Å
15R98Very high97.4Very high76 Ų7664.8 Ų64.829%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-140.4154.8-177.7-61.9-173.5179.8-99.7-7.4111.9E13 I65 G106 V107E13-R15 IonicContact OE2-CZ 3.75Å; E13-R15 IonicContact OE2-NE 3.73Å; E13-R15 IonicContact OE2-NH2 2.93Å; E13-R15 PolarHBondContact OE2-NH2 2.93Å; R15-I65 PolarHBondContact N-O 3.26Å; R15-I65 PolarHBondContact O-N 3.09Å; R15-G106 PolarHBondContact NH1-O 3.15Å; R15-V107 CarbonylContact C-O 3.53Å; R15-V107 VanDerWaalsContact CA-O 3.23Å; R15-V107 WeakPolarHBondContact CA-O 3.45Å
16V98.4Very high97.1Very high6 Ų670.7 Ų70.74%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-69126.8163.7-178.40000108.1T62 V63 P99 M103 G106 V107V16-T62 HydrophobicContact CG1-CG2 3.4Å; V16-T62 VanDerWaalsContact CG1-CG2 3.4Å; V16-V63 CarbonylContact C-O 3.55Å; V16-V63 WeakPolarHBondContact CA-O 3.49Å; V16-P99 HydrophobicContact CG1-CG 4.38Å; V16-P99 HydrophobicContact CG2-CG 4.36Å; V16-M103 HydrophobicContact CG1-CB 4.24Å; V16-M103 HydrophobicContact CG2-CB 4.16Å; V16-G106 PolarHBondContact O-N 2.96Å; V16-V107 HydrophobicContact CB-CB 4.38Å; V16-V107 HydrophobicContact CG2-CB 4.21Å; V16-V107 PolarHBondContact N-O 2.64Å
17G98.3Very high96.9Very high0 Ų069.4 Ų69.40%033%0.334CS..EExtended strand (participates in β ladder)trans-119.4157.5173.700000111.4D37 T62 V63G17-D37 CarbonylContact C-O 3.52Å; G17-D37 VanDerWaalsContact CA-O 3.22Å; G17-D37 WeakPolarHBondContact CA-O 3.29Å; G17-T62 CarbonylContact O-C 3.56Å; G17-T62 WeakPolarHBondContact O-CA 3.49Å; G17-V63 PolarHBondContact N-O 2.97Å; G17-V63 PolarHBondContact O-N 3.1Å
18K98.4Very high96.8Very high99 Ų9967.3 Ų67.343%0.4332%0.316SS..EExtended strand (participates in β ladder)trans-117.8125.3169.8-175.6175.7-177.8178.90109.4V20 V36 D37 A105K18-V20 PolarHBondContact O-N 3.2Å; K18-V36 CarbonylContact O-C 3.5Å; K18-V36 WeakPolarHBondContact O-CA 3.23Å; K18-D37 HydrophobicContact CB-CB 4.41Å; K18-D37 PolarHBondContact N-O 2.73Å; K18-D37 PolarHBondContact O-N 3.06Å; K18-A105 HydrophobicContact CB-CB 4.43Å
19I98.6Very high96.6Very high0 Ų070.6 Ų70.60%033%0.334CS..EExtended strand (participates in β ladder)trans-70.2121.7174.7-65.5177.7000108.7V22 V34 V36 L58 G60 K61 V63I19-V22 HydrophobicContact CG2-CG2 3.37Å; I19-V34 HydrophobicContact CB-CG1 4.35Å; I19-V34 HydrophobicContact CD1-CG1 4.15Å; I19-V34 HydrophobicContact CG1-CG1 3.93Å; I19-V34 HydrophobicContact CG2-CG1 3.71Å; I19-V36 HydrophobicContact CG1-CG2 4.43Å; I19-L58 VanDerWaalsContact CB-O 3.28Å; I19-L58 WeakPolarHBondContact CB-O 3.07Å; I19-L58 HydrophobicContact CD1-CB 4.19Å; I19-L58 HydrophobicContact CD1-CD2 4.13Å; I19-L58 VanDerWaalsContact CG2-O 3.31Å; I19-L58 WeakPolarHBondContact CG2-O 3.45Å; I19-G60 WeakPolarHBondContact O-CA 3.36Å; I19-G60 PolarHBondContact O-N 2.86Å; I19-K61 HydrophobicContact CD1-CB 4.41Å; I19-K61 PolarHBondContact N-O 3.1Å; I19-V63 HydrophobicContact CD1-CG1 4.06Å; I19-V63 HydrophobicContact CG1-CG1 4.44Å; I19-V63 HydrophobicContact CG1-CG2 4.2Å
20V98.3Very high96.5Very high66 Ų6674.6 Ų74.640%0.435%0.351SS..EExtended strand (participates in β ladder)trans-115.1-16.1-176.9-65.90000113.5K18 Q35 D37 T42 M59K18-V20 PolarHBondContact O-N 3.2Å; V20-Q35 HydrophobicContact CG2-CB 3.92Å; V20-Q35 WeakPolarHBondContact CG2-O 3.31Å; V20-Q35 PolarHBondContact N-O 2.96Å; V20-D37 HydrophobicContact CG1-CB 3.73Å; V20-D37 HydrophobicContact CG2-CB 4.49Å; V20-T42 HydrophobicContact CG2-CG2 4.04Å; V20-M59 VanDerWaalsContact O-CE 3.31Å; V20-M59 WeakPolarHBondContact O-CE 3.48Å
21E98.5Very high96.6Very high97 Ų9774.4 Ų74.445%0.45335%0.346SS..EExtended strand (participates in β ladder)trans-152.4141.8173.7-164.1-172.9156.200109.5V34 Q35E21-V34 WeakPolarHBondContact O-CA 3.41Å; E21-Q35 HydrophobicContact CB-CB 3.71Å; E21-Q35 HydrophobicContact CB-CG 3.75Å; E21-Q35 HydrophobicContact CG-CG 4.47Å; E21-Q35 PolarHBondContact N-O 2.88Å; E21-Q35 PolarHBondContact O-N 2.78Å; E21-Q35 WeakPolarHBondContact OE2-CG 3.2Å
22V98.6Very high96.7Very high20 Ų2065.9 Ų65.912%0.12131%0.314CS..EExtended strand (participates in β ladder)trans-138127.8175.9-178.40000107.7I19 Y32 V34 E55 L58 M59I19-V22 HydrophobicContact CG2-CG2 3.37Å; V22-Y32 HydrophobicContact CG1-CD1 3.92Å; V22-Y32 HydrophobicContact CG1-CE1 4.37Å; V22-Y32 HydrophobicContact CG1-CG 4.02Å; V22-V34 HydrophobicContact CG1-CG2 4.33Å; V22-V34 HydrophobicContact CG2-CG1 4.31Å; V22-V34 HydrophobicContact CG2-CG2 4.34Å; V22-E55 HydrophobicContact CG1-CB 4.14Å; V22-E55 HydrophobicContact CG1-CG 3.98Å; V22-L58 HydrophobicContact CG1-CD1 4.1Å; V22-L58 HydrophobicContact CG2-CB 3.73Å; V22-M59 HydrophobicContact CB-CG 4.49Å; V22-M59 HydrophobicContact CB-SD 3.8Å; V22-M59 HydrophobicContact CG2-CG 4.26Å; V22-M59 HydrophobicContact CG2-SD 3.56Å; V22-M59 VanDerWaalsContact CG2-SD 3.56Å; V22-M59 PolarHBondContact N-SD 2.89Å; V22-M59 VanDerWaalsContact N-SD 3.4Å
23K97.1Very high96.7Very high85 Ų8562.7 Ų62.737%0.3730%0.297SS..EExtended strand (participates in β ladder)trans-136.1148.5171.464.4179.9178.2168.40110.5Y32 I33K23-Y32 CarbonylContact O-C 3.47Å; K23-Y32 WeakPolarHBondContact O-CA 3.41Å; K23-I33 HydrophobicContact CD-CB 4.38Å; K23-I33 HydrophobicContact CD-CD1 4.34Å; K23-I33 VanDerWaalsContact CE-CD1 3.5Å; K23-I33 HydrophobicContact CG-CB 3.8Å; K23-I33 HydrophobicContact CG-CD1 4.3Å; K23-I33 HydrophobicContact CG-CG2 4.48Å; K23-I33 PolarHBondContact N-O 2.89Å; K23-I33 PolarHBondContact O-N 2.86Å
24R96.8Very high96.8Very high140 Ų14060.1 Ų60.153%0.52829%0.285SS..EExtended strand (participates in β ladder)trans-66.1142.8169.1-74.3-172.3178.7-139.1-6.5110.5E26 Y32 E55R24-E26 PolarHBondContact O-N 2.95Å; R24-Y32 HydrophobicContact CG-CD1 3.98Å; R24-Y32 HydrophobicContact CG-CE1 3.66Å; R24-E55 WeakPolarHBondContact CD-OE1 3.24Å; R24-E55 VanDerWaalsContact CG-OE1 3.26Å; R24-E55 WeakPolarHBondContact CG-OE1 3.3Å; R24-E55 IonicContact CZ-OE1 2.67Å; R24-E55 IonicContact NE-OE1 3.86Å; R24-E55 PolarHBondContact NE-OE1 3.19Å; R24-E55 IonicContact NH2-OE1 2.79Å
25H95.4Very high96.8Very high8 Ų860.6 Ų60.64%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-74.9115.7171.7-168.8-63.4000109.3N27 A28 L31 I33 R75 E77H25-N27 PolarHBondContact ND1-N 3.32Å; H25-N27 VanDerWaalsContact ND1-N 3.19Å; H25-N27 PolarHBondContact O-N 2.79Å; H25-N27 VanDerWaalsContact O-N 3.09Å; H25-A28 HydrophobicContact CB-CB 4.11Å; H25-A28 PolarHBondContact ND1-N 2.9Å; H25-A28 CarbonylContact O-C 3.57Å; H25-A28 PolarHBondContact O-N 3.13Å; H25-L31 HydrophobicContact CB-CB 3.8Å; H25-L31 VanDerWaalsContact CB-O 3.25Å; H25-L31 WeakPolarHBondContact CB-O 3.4Å; H25-L31 PolarHBondContact N-O 2.89Å; H25-I33 HydrophobicContact CB-CD1 4.24Å; H25-I33 HydrophobicContact CB-CG1 4.23Å; H25-R75 VanDerWaalsContact CE1-CB 3.45Å; H25-R75 WeakPolarHBondContact CE1-CB 3.32Å; H25-R75 PolarHBondContact CE1-O 3.2Å; H25-R75 PolarHBondContact NE2-O 3.29Å; H25-E77 WeakPolarHBondContact NE2-CG 3.39Å
26E93Very high96.9Very high179 Ų17957 Ų5784%0.83627%0.273SS*.THydrogen-bonded Turntrans-55.7-33.9-174.1-62.6179.4168.400113.5R24R24-E26 PolarHBondContact O-N 2.95Å
27N91.7Very high96.9Very high129 Ų12959 Ų5969%0.6928%0.284SS*.THydrogen-bonded Turntrans-104.414.3-179-56.2-60.9000114.3H25H25-N27 PolarHBondContact ND1-N 3.32Å; H25-N27 VanDerWaalsContact ND1-N 3.19Å; H25-N27 PolarHBondContact O-N 2.79Å; H25-N27 VanDerWaalsContact O-N 3.09Å
28A93.4Very high96.8Very high16 Ų1659.6 Ų59.613%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-156.1100.4-17900000113.1H25 K30 L31 R75H25-A28 HydrophobicContact CB-CB 4.11Å; H25-A28 PolarHBondContact ND1-N 2.9Å; H25-A28 CarbonylContact O-C 3.57Å; H25-A28 PolarHBondContact O-N 3.13Å; A28-K30 PolarHBondContact O-N 2.87Å; A28-L31 HydrophobicContact CB-CB 4.04Å; A28-L31 HydrophobicContact CB-CD1 3.67Å; A28-L31 HydrophobicContact CB-CG 3.86Å; A28-L31 PolarHBondContact O-N 2.89Å; A28-R75 HydrophobicContact CB-CG 4.21Å
29D93.2Very high96.6Very high138 Ų13857 Ų5774%0.73829%0.289SS*.EExtended strand (participates in β ladder)trans-60.3-21.1-172.5-55.7-29000115.5V50D29-V50 WeakPolarHBondContact O-CG1 3.26Å
30K94.8Very high96Very high151 Ų15166.6 Ų66.666%0.65733%0.334SS*.EExtended strand (participates in β ladder)trans-96.7-0.9-179.7-63.7-169.8177.9-171.70113.8A28 S48 V50A28-K30 PolarHBondContact O-N 2.87Å; K30-S48 CarbonylContact O-C 3.55Å; K30-S48 VanDerWaalsContact O-CA 3.29Å; K30-S48 WeakPolarHBondContact O-CA 3.39Å; K30-V50 WeakPolarHBondContact O-CG2 3.45Å
31L97.4Very high95.9Very high24 Ų2469.4 Ų69.413%0.12634%0.341CS..EExtended strand (participates in β ladder)trans-114.4137.4-173.6-56.9-178.8000111.8H25 A28 V46 T47 R75H25-L31 HydrophobicContact CB-CB 3.8Å; H25-L31 VanDerWaalsContact CB-O 3.25Å; H25-L31 WeakPolarHBondContact CB-O 3.4Å; H25-L31 PolarHBondContact N-O 2.89Å; A28-L31 HydrophobicContact CB-CB 4.04Å; A28-L31 HydrophobicContact CB-CD1 3.67Å; A28-L31 HydrophobicContact CB-CG 3.86Å; A28-L31 PolarHBondContact O-N 2.89Å; L31-V46 HydrophobicContact CB-CG1 4.02Å; L31-V46 HydrophobicContact CD1-CG1 3.84Å; L31-V46 HydrophobicContact CD2-CG1 4.49Å; L31-V46 HydrophobicContact CG-CG1 4.33Å; L31-T47 CarbonylContact C-O 3.46Å; L31-T47 VanDerWaalsContact CA-O 3.32Å; L31-T47 WeakPolarHBondContact CA-O 3.25Å; L31-R75 HydrophobicContact CD1-CG 4.4Å
32Y98.2Very high95.9Very high1 Ų168.1 Ų68.10%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-99.7149.9160.3-67.1-57.3000110.2V22 K23 R24 V46 T47 L49 V50 Y53 E55 L58V22-Y32 HydrophobicContact CG1-CD1 3.92Å; V22-Y32 HydrophobicContact CG1-CE1 4.37Å; V22-Y32 HydrophobicContact CG1-CG 4.02Å; K23-Y32 CarbonylContact O-C 3.47Å; K23-Y32 WeakPolarHBondContact O-CA 3.41Å; R24-Y32 HydrophobicContact CG-CD1 3.98Å; R24-Y32 HydrophobicContact CG-CE1 3.66Å; Y32-V46 CarbonylContact O-C 3.57Å; Y32-V46 VanDerWaalsContact O-CA 3.32Å; Y32-V46 WeakPolarHBondContact O-CA 3.37Å; Y32-T47 PolarHBondContact N-O 2.85Å; Y32-T47 PolarHBondContact O-N 2.99Å; Y32-L49 HydrophobicContact CD2-CB 4.24Å; Y32-V50 HydrophobicContact CD1-CG2 3.9Å; Y32-V50 HydrophobicContact CD2-CG2 3.73Å; Y32-V50 HydrophobicContact CE1-CG2 3.77Å; Y32-V50 HydrophobicContact CE2-CB 4.05Å; Y32-V50 HydrophobicContact CE2-CG2 3.64Å; Y32-V50 HydrophobicContact CG-CG2 3.86Å; Y32-Y53 WeakPolarHBondContact CE2-O 3.38Å; Y32-Y53 PolarHBondContact OH-O 2.67Å; Y32-E55 HydrophobicContact CD1-CG 4.4Å; Y32-E55 HydrophobicContact CE1-CG 3.66Å; Y32-L58 HydrophobicContact CD2-CD1 3.59Å; Y32-L58 HydrophobicContact CE2-CD1 3.66Å; Y32-L58 HydrophobicContact CG-CD1 4.43Å
33I98.3Very high95.8Very high6 Ų667.6 Ų67.63%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-103.9120.7161.7-55.1155.2000105.6K23 H25 Q44 E77K23-I33 HydrophobicContact CD-CB 4.38Å; K23-I33 HydrophobicContact CD-CD1 4.34Å; K23-I33 VanDerWaalsContact CE-CD1 3.5Å; K23-I33 HydrophobicContact CG-CB 3.8Å; K23-I33 HydrophobicContact CG-CD1 4.3Å; K23-I33 HydrophobicContact CG-CG2 4.48Å; K23-I33 PolarHBondContact N-O 2.89Å; K23-I33 PolarHBondContact O-N 2.86Å; H25-I33 HydrophobicContact CB-CD1 4.24Å; H25-I33 HydrophobicContact CB-CG1 4.23Å; I33-Q44 HydrophobicContact CG2-CG 3.79Å; I33-E77 HydrophobicContact CD1-CG 3.55Å; I33-E77 HydrophobicContact CG1-CB 4.42Å; I33-E77 HydrophobicContact CG1-CG 3.94Å
34V98.5Very high95.9Very high0 Ų065.1 Ų65.10%033%0.326CS..EExtended strand (participates in β ladder)trans-123.3136.1-171.3-179.30000109.1I19 E21 V22 V36 Q44 T45 T47I19-V34 HydrophobicContact CB-CG1 4.35Å; I19-V34 HydrophobicContact CD1-CG1 4.15Å; I19-V34 HydrophobicContact CG1-CG1 3.93Å; I19-V34 HydrophobicContact CG2-CG1 3.71Å; E21-V34 WeakPolarHBondContact O-CA 3.41Å; V22-V34 HydrophobicContact CG1-CG2 4.33Å; V22-V34 HydrophobicContact CG2-CG1 4.31Å; V22-V34 HydrophobicContact CG2-CG2 4.34Å; V34-V36 HydrophobicContact CG1-CG2 3.93Å; V34-Q44 CarbonylContact O-C 3.51Å; V34-Q44 WeakPolarHBondContact O-CA 3.2Å; V34-T45 HydrophobicContact CB-CG2 3.81Å; V34-T45 HydrophobicContact CG1-CG2 4.38Å; V34-T45 PolarHBondContact N-O 3.12Å; V34-T45 PolarHBondContact O-N 3.42Å; V34-T47 HydrophobicContact CG2-CG2 3.72Å
35Q98.6Very high96Very high32 Ų3258.5 Ų58.515%0.1530%0.301CS..EExtended strand (participates in β ladder)trans-100.8125.5170.1-59.6-57.5-36.100109.2V20 E21 T42V20-Q35 HydrophobicContact CG2-CB 3.92Å; V20-Q35 WeakPolarHBondContact CG2-O 3.31Å; V20-Q35 PolarHBondContact N-O 2.96Å; E21-Q35 HydrophobicContact CB-CB 3.71Å; E21-Q35 HydrophobicContact CB-CG 3.75Å; E21-Q35 HydrophobicContact CG-CG 4.47Å; E21-Q35 PolarHBondContact N-O 2.88Å; E21-Q35 PolarHBondContact O-N 2.78Å; E21-Q35 WeakPolarHBondContact OE2-CG 3.2Å; Q35-T42 HydrophobicContact CB-CG2 3.59Å; Q35-T42 HydrophobicContact CG-CG2 4.41Å
36V98.6Very high96.1Very high0 Ų058.5 Ų58.50%030%0.302CS..EExtended strand (participates in β ladder)trans-118.8116.9-177.3-1700000109.8K18 I19 V34 V38 T42 L43 T45 V63 I65 L83K18-V36 CarbonylContact O-C 3.5Å; K18-V36 WeakPolarHBondContact O-CA 3.23Å; I19-V36 HydrophobicContact CG1-CG2 4.43Å; V34-V36 HydrophobicContact CG1-CG2 3.93Å; V36-V38 HydrophobicContact CG1-CG1 4.42Å; V36-T42 CarbonylContact O-C 3.54Å; V36-T42 WeakPolarHBondContact O-CA 3.28Å; V36-L43 PolarHBondContact N-O 3.19Å; V36-L43 PolarHBondContact O-N 3.47Å; V36-T45 HydrophobicContact CG2-CG2 4.13Å; V36-V63 HydrophobicContact CG1-CG2 4.33Å; V36-I65 HydrophobicContact CB-CD1 4.33Å; V36-I65 HydrophobicContact CG1-CD1 3.91Å; V36-I65 HydrophobicContact CG1-CG2 4.16Å; V36-L83 HydrophobicContact CG2-CD2 4.05Å
37D98.5Very high96.3Very high47 Ų4750.8 Ų50.825%0.25127%0.267SS..EExtended strand (participates in β ladder)trans-70.1126168.8173.624.5000109.9G17 K18 V20 G39G17-D37 CarbonylContact C-O 3.52Å; G17-D37 VanDerWaalsContact CA-O 3.22Å; G17-D37 WeakPolarHBondContact CA-O 3.29Å; K18-D37 HydrophobicContact CB-CB 4.41Å; K18-D37 PolarHBondContact N-O 2.73Å; K18-D37 PolarHBondContact O-N 3.06Å; V20-D37 HydrophobicContact CG1-CB 3.73Å; V20-D37 HydrophobicContact CG2-CB 4.49Å; D37-G39 WeakPolarHBondContact OD1-CA 3.4Å; D37-G39 PolarHBondContact OD1-N 2.86Å
38V97.2Very high96.5Very high13 Ų1347.8 Ų47.88%0.07926%0.256CS..  trans-119.533.3174.8-66.30000112V36 Q40 K41 L43 I65 G106V36-V38 HydrophobicContact CG1-CG1 4.42Å; V38-Q40 PolarHBondContact O-N 3.2Å; V38-K41 HydrophobicContact CG2-CG 3.69Å; V38-K41 WeakPolarHBondContact CG2-O 3.22Å; V38-K41 PolarHBondContact N-O 3.26Å; V38-L43 HydrophobicContact CG2-CD1 4.17Å; V38-L43 HydrophobicContact CG2-CG 4.13Å; V38-I65 HydrophobicContact CG1-CD1 3.26Å; V38-I65 HydrophobicContact CG1-CG1 4.19Å; V38-G106 VanDerWaalsContact C-CA 3.48Å; V38-G106 WeakPolarHBondContact O-CA 3.43Å
39G93.2Very high96.6Very high46 Ų4647.1 Ų47.147%0.47425%0.25SS..SBendtrans92.9-47170.400000114.4D37D37-G39 WeakPolarHBondContact OD1-CA 3.4Å; D37-G39 PolarHBondContact OD1-N 2.86Å
40Q87.5Confident96.8Very high200 Ų20041.8 Ų41.894%0.93522%0.222SC*.SBendtrans-113.3-14179.7-66.9-173.91.900114V38V38-Q40 PolarHBondContact O-N 3.2Å
41K95.5Very high96.9Very high125 Ų12538.5 Ų38.554%0.54322%0.216SC..  trans-154.9162.5-17763178.6178.9175.30109.3V38 L43V38-K41 HydrophobicContact CG2-CG 3.69Å; V38-K41 WeakPolarHBondContact CG2-O 3.22Å; V38-K41 PolarHBondContact N-O 3.26Å; K41-L43 HydrophobicContact CD-CD2 4.05Å; K41-L43 HydrophobicContact CG-CD2 4.49Å
42T97.8Very high96.9Very high70 Ų7040.5 Ų40.543%0.42922%0.223SC..EExtended strand (participates in β ladder)trans-101.7138.2169.7-52.60000108.6V20 Q35 V36V20-T42 HydrophobicContact CG2-CG2 4.04Å; Q35-T42 HydrophobicContact CB-CG2 3.59Å; Q35-T42 HydrophobicContact CG-CG2 4.41Å; V36-T42 CarbonylContact O-C 3.54Å; V36-T42 WeakPolarHBondContact O-CA 3.28Å
43L98Very high96.9Very high10 Ų1042.1 Ų42.15%0.05223%0.229CC..EExtended strand (participates in β ladder)trans-113.7139.7173-64.7-179.9000109.6V36 V38 K41 I65 C67 E80 C81V36-L43 PolarHBondContact N-O 3.19Å; V36-L43 PolarHBondContact O-N 3.47Å; V38-L43 HydrophobicContact CG2-CD1 4.17Å; V38-L43 HydrophobicContact CG2-CG 4.13Å; K41-L43 HydrophobicContact CD-CD2 4.05Å; K41-L43 HydrophobicContact CG-CD2 4.49Å; L43-I65 HydrophobicContact CD1-CD1 4.47Å; L43-C67 HydrophobicContact CD1-CB 4.27Å; L43-E80 HydrophobicContact CD2-CB 4.46Å; L43-C81 HydrophobicContact CB-CB 4.41Å; L43-C81 HydrophobicContact CD1-CB 3.97Å
44Q98.4Very high96.9Very high32 Ų3244 Ų4415%0.1524%0.242CC..EExtended strand (participates in β ladder)trans-84.6138.6171.2-174.5169.4-78.700110.3I33 V34 E77 T78 E80I33-Q44 HydrophobicContact CG2-CG 3.79Å; V34-Q44 CarbonylContact O-C 3.51Å; V34-Q44 WeakPolarHBondContact O-CA 3.2Å; Q44-E77 PolarHBondContact NE2-OE2 2.89Å; Q44-T78 WeakPolarHBondContact CG-O 3.16Å; Q44-T78 PolarHBondContact NE2-O 2.96Å; Q44-E80 PolarHBondContact N-OE2 2.82Å; Q44-E80 VanDerWaalsContact N-OE2 3.11Å; Q44-E80 WeakPolarHBondContact O-CA 3.24Å; Q44-E80 WeakPolarHBondContact O-CB 3.44Å; Q44-E80 PolarHBondContact O-N 3.47Å
45T98.1Very high96.9Very high2 Ų247 Ų471%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-132.7147166.6-172.40000110.7V34 V36 S79 C81 L83V34-T45 HydrophobicContact CB-CG2 3.81Å; V34-T45 HydrophobicContact CG1-CG2 4.38Å; V34-T45 PolarHBondContact N-O 3.12Å; V34-T45 PolarHBondContact O-N 3.42Å; V36-T45 HydrophobicContact CG2-CG2 4.13Å; T45-S79 PolarHBondContact OG1-OG 2.88Å; T45-S79 VanDerWaalsContact OG1-OG 3.14Å; T45-C81 VanDerWaalsContact CB-O 3.3Å; T45-C81 WeakPolarHBondContact CB-O 3.32Å; T45-C81 PolarHBondContact OG1-O 2.89Å; T45-L83 HydrophobicContact CG2-CD1 4.35Å; T45-L83 HydrophobicContact CG2-CD2 4.13Å; T45-L83 HydrophobicContact CG2-CG 4Å
46V97.9Very high96.8Very high8 Ų853.6 Ų53.65%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-107.1121.6170.2-174.20000107L31 Y32 M74 E77 S79L31-V46 HydrophobicContact CB-CG1 4.02Å; L31-V46 HydrophobicContact CD1-CG1 3.84Å; L31-V46 HydrophobicContact CD2-CG1 4.49Å; L31-V46 HydrophobicContact CG-CG1 4.33Å; Y32-V46 CarbonylContact O-C 3.57Å; Y32-V46 VanDerWaalsContact O-CA 3.32Å; Y32-V46 WeakPolarHBondContact O-CA 3.37Å; V46-M74 HydrophobicContact CB-CB 4.13Å; V46-M74 HydrophobicContact CB-CG 4.49Å; V46-M74 HydrophobicContact CB-SD 3.94Å; V46-M74 HydrophobicContact CG1-CB 3.91Å; V46-M74 HydrophobicContact CG1-SD 4.11Å; V46-M74 HydrophobicContact CG2-CB 4.41Å; V46-E77 HydrophobicContact CG2-CB 3.56Å; V46-S79 PolarHBondContact N-OG 3.36Å; V46-S79 VanDerWaalsContact N-OG 3.15Å
47T96.7Very high96.8Very high17 Ų1758.6 Ų58.610%0.10431%0.311CS..EExtended strand (participates in β ladder)trans-132.6143.7-169.3-1730000112L31 Y32 V34 L49 L83L31-T47 CarbonylContact C-O 3.46Å; L31-T47 VanDerWaalsContact CA-O 3.32Å; L31-T47 WeakPolarHBondContact CA-O 3.25Å; Y32-T47 PolarHBondContact N-O 2.85Å; Y32-T47 PolarHBondContact O-N 2.99Å; V34-T47 HydrophobicContact CG2-CG2 3.72Å; T47-L49 HydrophobicContact CG2-CB 4.19Å; T47-L49 HydrophobicContact CG2-CD1 4.05Å; T47-L49 HydrophobicContact CG2-CG 4.22Å; T47-L49 PolarHBondContact O-N 2.93Å; T47-L49 WeakPolarHBondContact OG1-CD1 3.33Å; T47-L49 VanDerWaalsContact OG1-CG 3.3Å; T47-L49 WeakPolarHBondContact OG1-CG 3.33Å; T47-L83 HydrophobicContact CG2-CD1 4.09Å
48S95.8Very high96.8Very high66 Ų6656.4 Ų56.446%0.46230%0.299SS..  trans-8933.9-177.853.80000113.8K30 P51K30-S48 CarbonylContact O-C 3.55Å; K30-S48 VanDerWaalsContact O-CA 3.29Å; K30-S48 WeakPolarHBondContact O-CA 3.39Å; S48-P51 VanDerWaalsContact O-CD 3.32Å; S48-P51 WeakPolarHBondContact O-CD 2.95Å
49L97.3Very high96.8Very high2 Ų260 Ų601%0.0132%0.316CS..  trans-86.8-0.1-171.7-72.1174.2000115Y32 T47 P51 Y52 Y53 L58 L83 L96Y32-L49 HydrophobicContact CD2-CB 4.24Å; T47-L49 HydrophobicContact CG2-CB 4.19Å; T47-L49 HydrophobicContact CG2-CD1 4.05Å; T47-L49 HydrophobicContact CG2-CG 4.22Å; T47-L49 PolarHBondContact O-N 2.93Å; T47-L49 WeakPolarHBondContact OG1-CD1 3.33Å; T47-L49 VanDerWaalsContact OG1-CG 3.3Å; T47-L49 WeakPolarHBondContact OG1-CG 3.33Å; L49-P51 VanDerWaalsContact C-CD 3.41Å; L49-P51 VanDerWaalsContact C-N 3.32Å; L49-Y52 HydrophobicContact CD2-CD2 4Å; L49-Y52 PolarHBondContact O-N 3.49Å; L49-Y53 HydrophobicContact CB-CD2 4.11Å; L49-Y53 HydrophobicContact CD1-CD2 4.45Å; L49-Y53 HydrophobicContact CD2-CD2 3.98Å; L49-Y53 HydrophobicContact CD2-CE2 3.92Å; L49-Y53 HydrophobicContact CG-CD2 4.39Å; L49-Y53 PolarHBondContact O-N 3.11Å; L49-L58 HydrophobicContact CD1-CD2 4.33Å; L49-L83 HydrophobicContact CD1-CD1 3.74Å; L49-L96 HydrophobicContact CD1-CD1 4Å; L49-L96 HydrophobicContact CD1-CD2 3.87Å; L49-L96 HydrophobicContact CD1-CG 4.04Å
50V97.2Very high97.1Very high25 Ų2559.5 Ų59.515%0.15231%0.311CS..THydrogen-bonded Turntrans-52.6-41.2179.5-178.40000113.5D29 K30 Y32 Y52D29-V50 WeakPolarHBondContact O-CG1 3.26Å; K30-V50 WeakPolarHBondContact O-CG2 3.45Å; Y32-V50 HydrophobicContact CD1-CG2 3.9Å; Y32-V50 HydrophobicContact CD2-CG2 3.73Å; Y32-V50 HydrophobicContact CE1-CG2 3.77Å; Y32-V50 HydrophobicContact CE2-CB 4.05Å; Y32-V50 HydrophobicContact CE2-CG2 3.64Å; Y32-V50 HydrophobicContact CG-CG2 3.86Å; V50-Y52 PolarHBondContact O-N 2.77Å
51P96.4Very high97.6Very high82 Ų8253.1 Ų53.153%0.53228%0.28SS..THydrogen-bonded Turntrans-69.1-19.1178.9-20.635000114.6S48 L49S48-P51 VanDerWaalsContact O-CD 3.32Å; S48-P51 WeakPolarHBondContact O-CD 2.95Å; L49-P51 VanDerWaalsContact C-CD 3.41Å; L49-P51 VanDerWaalsContact C-N 3.32Å
52Y97.8Very high97.7Very high67 Ų6748.3 Ų48.326%0.26326%0.261SS..THydrogen-bonded Turntrans-113-23.1-168.5-46.4-71.5000113.5L49 V50 G91 S94L49-Y52 HydrophobicContact CD2-CD2 4Å; L49-Y52 PolarHBondContact O-N 3.49Å; V50-Y52 PolarHBondContact O-N 2.77Å; Y52-G91 PolarHBondContact OH-O 2.75Å; Y52-S94 VanDerWaalsContact CE2-CB 3.46Å
53Y98Very high97.7Very high35 Ų3545 Ų4514%0.13724%0.241CC..  trans-140.8141.3-179.6-58.2-90.1000111.6Y32 L49 E57 L58 S94 V95 L96Y32-Y53 WeakPolarHBondContact CE2-O 3.38Å; Y32-Y53 PolarHBondContact OH-O 2.67Å; L49-Y53 HydrophobicContact CB-CD2 4.11Å; L49-Y53 HydrophobicContact CD1-CD2 4.45Å; L49-Y53 HydrophobicContact CD2-CD2 3.98Å; L49-Y53 HydrophobicContact CD2-CE2 3.92Å; L49-Y53 HydrophobicContact CG-CD2 4.39Å; L49-Y53 PolarHBondContact O-N 3.11Å; Y53-E57 HydrophobicContact CD1-CB 4.29Å; Y53-L58 HydrophobicContact CD1-CD2 4.24Å; Y53-L58 HydrophobicContact CD2-CD2 4.19Å; Y53-L58 HydrophobicContact CG-CD2 3.81Å; Y53-L58 HydrophobicContact CG-CG 4.25Å; Y53-S94 VanDerWaalsContact CE2-O 3.31Å; Y53-S94 WeakPolarHBondContact CE2-O 3.22Å; Y53-S94 PolarHBondContact OH-O 3.41Å; Y53-V95 VanDerWaalsContact OH-CA 3.31Å; Y53-V95 WeakPolarHBondContact OH-CA 3.32Å; Y53-L96 HydrophobicContact CE2-CD1 4.25Å; Y53-L96 HydrophobicContact CE2-CG 4.27Å; Y53-L96 PolarHBondContact OH-N 3.37Å; Y53-L96 VanDerWaalsContact OH-N 3.11Å
54S97.8Very high97.7Very high44 Ų4445.2 Ų45.231%0.30824%0.243SC..  trans-72.9162161.463.80000111.5E56 E57 L58S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.87Å; S54-E57 WeakPolarHBondContact CB-OE2 3.28Å; S54-E57 PolarHBondContact N-OE2 3.4Å; S54-E57 PolarHBondContact O-N 3.24Å; S54-E57 WeakPolarHBondContact OG-CB 3.38Å; S54-E57 VanDerWaalsContact OG-CD 3.29Å; S54-E57 WeakPolarHBondContact OG-CG 3.44Å; S54-E57 PolarHBondContact OG-N 3.42Å; S54-E57 PolarHBondContact OG-OE2 3.28Å; S54-L58 WeakPolarHBondContact O-CG 3.31Å; S54-L58 PolarHBondContact O-N 2.98Å
55E98Very high97.7Very high63 Ų6343.7 Ų43.729%0.29424%0.236SC..Hα-helixtrans-56.9-43.8173.4-63.388.8158.300111.1V22 R24 Y32 E57 L58 M59V22-E55 HydrophobicContact CG1-CB 4.14Å; V22-E55 HydrophobicContact CG1-CG 3.98Å; R24-E55 WeakPolarHBondContact CD-OE1 3.24Å; R24-E55 VanDerWaalsContact CG-OE1 3.26Å; R24-E55 WeakPolarHBondContact CG-OE1 3.3Å; R24-E55 IonicContact CZ-OE1 2.67Å; R24-E55 IonicContact NE-OE1 3.86Å; R24-E55 PolarHBondContact NE-OE1 3.19Å; R24-E55 IonicContact NH2-OE1 2.79Å; Y32-E55 HydrophobicContact CD1-CG 4.4Å; Y32-E55 HydrophobicContact CE1-CG 3.66Å; E55-E57 PolarHBondContact O-N 2.89Å; E55-L58 PolarHBondContact O-N 2.98Å; E55-M59 VanDerWaalsContact O-CG 3.28Å; E55-M59 WeakPolarHBondContact O-CG 3.34Å; E55-M59 PolarHBondContact O-N 2.84Å
56E98Very high97.7Very high172 Ų17244.5 Ų44.580%0.80424%0.24SC*.Hα-helixtrans-61.3-42179.8-174.7177.4175.600112.4S54 L58 M59S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.87Å; E56-L58 VanDerWaalsContact C-N 3.26Å; E56-L58 PolarHBondContact O-N 3.33Å; E56-M59 PolarHBondContact O-N 3.44Å
57E97.9Very high97.7Very high105 Ų10545.4 Ų45.449%0.49125%0.246SC..Hα-helixtrans-67.1-28.7178.5-73.6166.1127.200113Y53 S54 E55 K61Y53-E57 HydrophobicContact CD1-CB 4.29Å; S54-E57 WeakPolarHBondContact CB-OE2 3.28Å; S54-E57 PolarHBondContact N-OE2 3.4Å; S54-E57 PolarHBondContact O-N 3.24Å; S54-E57 WeakPolarHBondContact OG-CB 3.38Å; S54-E57 VanDerWaalsContact OG-CD 3.29Å; S54-E57 WeakPolarHBondContact OG-CG 3.44Å; S54-E57 PolarHBondContact OG-N 3.42Å; S54-E57 PolarHBondContact OG-OE2 3.28Å; E55-E57 PolarHBondContact O-N 2.89Å; E57-K61 WeakPolarHBondContact O-CE 3.22Å; E57-K61 PolarHBondContact O-NZ 2.9Å
58L98.3Very high97.6Very high0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-81-36.6177.9-70176.7000112I19 V22 Y32 L49 Y53 S54 E55 E56 G60 K61 L96I19-L58 VanDerWaalsContact CB-O 3.28Å; I19-L58 WeakPolarHBondContact CB-O 3.07Å; I19-L58 HydrophobicContact CD1-CB 4.19Å; I19-L58 HydrophobicContact CD1-CD2 4.13Å; I19-L58 VanDerWaalsContact CG2-O 3.31Å; I19-L58 WeakPolarHBondContact CG2-O 3.45Å; V22-L58 HydrophobicContact CG1-CD1 4.1Å; V22-L58 HydrophobicContact CG2-CB 3.73Å; Y32-L58 HydrophobicContact CD2-CD1 3.59Å; Y32-L58 HydrophobicContact CE2-CD1 3.66Å; Y32-L58 HydrophobicContact CG-CD1 4.43Å; L49-L58 HydrophobicContact CD1-CD2 4.33Å; Y53-L58 HydrophobicContact CD1-CD2 4.24Å; Y53-L58 HydrophobicContact CD2-CD2 4.19Å; Y53-L58 HydrophobicContact CG-CD2 3.81Å; Y53-L58 HydrophobicContact CG-CG 4.25Å; S54-L58 WeakPolarHBondContact O-CG 3.31Å; S54-L58 PolarHBondContact O-N 2.98Å; E55-L58 PolarHBondContact O-N 2.98Å; E56-L58 VanDerWaalsContact C-N 3.26Å; E56-L58 PolarHBondContact O-N 3.33Å; L58-G60 PolarHBondContact O-N 2.84Å; L58-K61 WeakPolarHBondContact O-CB 3.31Å; L58-K61 PolarHBondContact O-N 3.14Å; L58-L96 HydrophobicContact CD2-CD1 3.53Å
59M98.3Very high97.6Very high88 Ų8848.7 Ų48.743%0.43326%0.258SS..THydrogen-bonded Turntrans-56.2127.1-177.9-74.9-56-6100112.1V20 V22 E55 E56 K61V20-M59 VanDerWaalsContact O-CE 3.31Å; V20-M59 WeakPolarHBondContact O-CE 3.48Å; V22-M59 HydrophobicContact CB-CG 4.49Å; V22-M59 HydrophobicContact CB-SD 3.8Å; V22-M59 HydrophobicContact CG2-CG 4.26Å; V22-M59 HydrophobicContact CG2-SD 3.56Å; V22-M59 VanDerWaalsContact CG2-SD 3.56Å; V22-M59 PolarHBondContact N-SD 2.89Å; V22-M59 VanDerWaalsContact N-SD 3.4Å; E55-M59 VanDerWaalsContact O-CG 3.28Å; E55-M59 WeakPolarHBondContact O-CG 3.34Å; E55-M59 PolarHBondContact O-N 2.84Å; E56-M59 PolarHBondContact O-N 3.44Å; M59-K61 PolarHBondContact O-N 2.68Å
60G97.6Very high97.6Very high36 Ų3657 Ų5737%0.37130%0.296SS..THydrogen-bonded Turntrans75.3-3.8179.200000115.2I19 L58I19-G60 WeakPolarHBondContact O-CA 3.36Å; I19-G60 PolarHBondContact O-N 2.86Å; L58-G60 PolarHBondContact O-N 2.84Å
61K98Very high97.5Very high66 Ų6662 Ų6229%0.28732%0.316SS..  trans-64.9137.3-178.4-162.3-174.2-62.9-66.70111I19 E57 L58 M59 V63 L96I19-K61 HydrophobicContact CD1-CB 4.41Å; I19-K61 PolarHBondContact N-O 3.1Å; E57-K61 WeakPolarHBondContact O-CE 3.22Å; E57-K61 PolarHBondContact O-NZ 2.9Å; L58-K61 WeakPolarHBondContact O-CB 3.31Å; L58-K61 PolarHBondContact O-N 3.14Å; M59-K61 PolarHBondContact O-N 2.68Å; K61-V63 HydrophobicContact CB-CG1 4.41Å; K61-V63 HydrophobicContact CD-CG1 4.1Å; K61-V63 HydrophobicContact CG-CG1 4.17Å; K61-L96 HydrophobicContact CD-CD1 3.78Å
62T98.2Very high97.5Very high24 Ų2460.4 Ų60.415%0.14731%0.31CS..EExtended strand (participates in β ladder)trans-85126.9169-57.70000109.4V16 G17 T98 P99V16-T62 HydrophobicContact CG1-CG2 3.4Å; V16-T62 VanDerWaalsContact CG1-CG2 3.4Å; G17-T62 CarbonylContact O-C 3.56Å; G17-T62 WeakPolarHBondContact O-CA 3.49Å; T62-T98 WeakPolarHBondContact O-CB 3.38Å; T62-T98 PolarHBondContact O-OG1 3.17Å; T62-P99 HydrophobicContact CG2-CG 3.89Å
63V98.5Very high97.3Very high0 Ų065.5 Ų65.50%033%0.334CS..EExtended strand (participates in β ladder)trans-135.3162.3-171.7-65.90000111.1V16 G17 I19 V36 K61 I65 L83 L96 L97V16-V63 CarbonylContact C-O 3.55Å; V16-V63 WeakPolarHBondContact CA-O 3.49Å; G17-V63 PolarHBondContact N-O 2.97Å; G17-V63 PolarHBondContact O-N 3.1Å; I19-V63 HydrophobicContact CD1-CG1 4.06Å; I19-V63 HydrophobicContact CG1-CG1 4.44Å; I19-V63 HydrophobicContact CG1-CG2 4.2Å; V36-V63 HydrophobicContact CG1-CG2 4.33Å; K61-V63 HydrophobicContact CB-CG1 4.41Å; K61-V63 HydrophobicContact CD-CG1 4.1Å; K61-V63 HydrophobicContact CG-CG1 4.17Å; V63-I65 HydrophobicContact CG2-CG2 3.74Å; V63-L83 HydrophobicContact CG2-CD2 4.05Å; V63-L96 HydrophobicContact CG1-CB 4.38Å; V63-L96 HydrophobicContact CG1-CD1 3.99Å; V63-L96 HydrophobicContact CG1-CD2 4.16Å; V63-L96 HydrophobicContact CG1-CG 4.43Å; V63-L97 CarbonylContact C-O 3.6Å; V63-L97 WeakPolarHBondContact CA-O 3.21Å
64V98.5Very high96.9Very high16 Ų1667.5 Ų67.510%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-98132.5166.5-177.90000109.4L84 L97 V109V64-L84 HydrophobicContact CG1-CD1 3.78Å; V64-L84 HydrophobicContact CG1-CG 4.35Å; V64-L84 PolarHBondContact O-N 3.04Å; V64-L97 HydrophobicContact CB-CB 4.17Å; V64-L97 HydrophobicContact CG2-CB 4.26Å; V64-L97 PolarHBondContact N-O 2.78Å; V64-V109 HydrophobicContact CG1-CG2 3.83Å; V64-V109 HydrophobicContact CG2-CG2 4.39Å
65I98.1Very high96.5Very high0 Ų074.6 Ų74.60%037%0.365CS..EExtended strand (participates in β ladder)trans-130.5151179.878.5175.1000111.6M14 R15 V36 V38 L43 V63 C67 C81 M82 L83M14-I65 CarbonylContact C-O 3.6Å; M14-I65 VanDerWaalsContact CA-O 3.24Å; M14-I65 WeakPolarHBondContact CA-O 3.15Å; R15-I65 PolarHBondContact N-O 3.26Å; R15-I65 PolarHBondContact O-N 3.09Å; V36-I65 HydrophobicContact CB-CD1 4.33Å; V36-I65 HydrophobicContact CG1-CD1 3.91Å; V36-I65 HydrophobicContact CG1-CG2 4.16Å; V38-I65 HydrophobicContact CG1-CD1 3.26Å; V38-I65 HydrophobicContact CG1-CG1 4.19Å; L43-I65 HydrophobicContact CD1-CD1 4.47Å; V63-I65 HydrophobicContact CG2-CG2 3.74Å; I65-C67 VanDerWaalsContact CG1-SG 3.59Å; I65-C81 HydrophobicContact CD1-CB 4.06Å; I65-M82 CarbonylContact C-O 3.57Å; I65-M82 WeakPolarHBondContact CA-O 3.39Å; I65-M82 WeakPolarHBondContact CB-O 3.31Å; I65-L83 HydrophobicContact CB-CD2 4.46Å; I65-L83 HydrophobicContact CG2-CD2 3.4Å; I65-L83 VanDerWaalsContact CG2-CD2 3.4Å
66L98.2Very high96.3Very high18 Ų1874.7 Ų74.79%0.09438%0.384CS..EExtended strand (participates in β ladder)trans-94.9112.7167.6179.862.4000109.7L12 M14 N68 L69 C81 M82 L84L12-L66 HydrophobicContact CB-CD1 3.85Å; L12-L66 HydrophobicContact CD2-CD1 4.18Å; L12-L66 HydrophobicContact CD2-CD2 4.46Å; M14-L66 HydrophobicContact CG-CD1 3.87Å; L66-N68 VanDerWaalsContact CD1-OD1 3.26Å; L66-N68 WeakPolarHBondContact CD1-OD1 3.49Å; L66-L69 HydrophobicContact CD2-CB 3.98Å; L66-L69 HydrophobicContact CD2-CD1 4.16Å; L66-L69 HydrophobicContact CD2-CG 4.5Å; L66-L69 HydrophobicContact CG-CB 4.22Å; L66-C81 VanDerWaalsContact O-CA 3.22Å; L66-C81 WeakPolarHBondContact O-CA 3.43Å; L66-C81 VanDerWaalsContact O-CB 3.24Å; L66-C81 WeakPolarHBondContact O-CB 3.26Å; L66-M82 HydrophobicContact CB-CB 4.39Å; L66-M82 PolarHBondContact N-O 3.02Å; L66-M82 PolarHBondContact O-N 2.83Å; L66-M82 VanDerWaalsContact O-N 3.1Å; L66-L84 HydrophobicContact CB-CD2 4.28Å
67C96.6Very high96.2Very high27 Ų2769.1 Ų69.118%0.18236%0.357CS..SBendtrans-88.8-17.2-170.3-62.90000115E13 L43 I65E13-C67 HydrophobicContact CB-CB 4.33Å; E13-C67 WeakPolarHBondContact O-CB 3.49Å; E13-C67 PolarHBondContact O-N 2.86Å; L43-C67 HydrophobicContact CD1-CB 4.27Å; I65-C67 VanDerWaalsContact CG1-SG 3.59Å
68N96.4Very high96.1Very high78 Ų7866.3 Ų66.342%0.41735%0.347SS..SBendtrans-117.619.4-173.572.7-29.1000113.6R11 E13 L66R11-N68 PolarHBondContact O-ND2 2.79Å; E13-N68 HydrophobicContact CB-CB 3.84Å; E13-N68 HydrophobicContact CG-CB 4.06Å; E13-N68 PolarHBondContact N-OD1 2.71Å; L66-N68 VanDerWaalsContact CD1-OD1 3.26Å; L66-N68 WeakPolarHBondContact CD1-OD1 3.49Å
69L95.6Very high96.1Very high75 Ų7567 Ų6739%0.39335%0.353SS..SBendtrans-63.5144.7167.7-168.363.8000109.3L66 K71 M82L66-L69 HydrophobicContact CD2-CB 3.98Å; L66-L69 HydrophobicContact CD2-CD1 4.16Å; L66-L69 HydrophobicContact CD2-CG 4.5Å; L66-L69 HydrophobicContact CG-CB 4.22Å; L69-K71 PolarHBondContact O-N 2.78Å; L69-M82 HydrophobicContact CD2-CB 4.05Å; L69-M82 HydrophobicContact CD2-CE 3.48Å; L69-M82 VanDerWaalsContact CD2-CE 3.48Å; L69-M82 HydrophobicContact CD2-SD 4.17Å
70Q95.9Very high96.1Very high176 Ų17665.2 Ų65.282%0.82234%0.343SS*.PPolyproline II helixtrans-55.9130.1172.9-177.7175.2-300109.7A72Q70-A72 PolarHBondContact O-N 3.11Å
71K96.5Very high96.1Very high129 Ų12963.6 Ų63.656%0.56133%0.326SS*.PPolyproline II helixtrans-58.1134.4-179.8-58.8-168.2-179.3-166.40110.4L69 T78 S79 E80L69-K71 PolarHBondContact O-N 2.78Å; K71-T78 HydrophobicContact CB-CG2 4.2Å; K71-T78 HydrophobicContact CD-CG2 4.1Å; K71-S79 WeakPolarHBondContact CA-O 3.3Å; K71-E80 HydrophobicContact CD-CG 4.19Å; K71-E80 IonicContact NZ-OE1 3.76Å; K71-E80 PolarHBondContact NZ-OE1 3.15Å
72A94.9Very high96.1Very high50 Ų5064.8 Ų64.841%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-116.1145.9176.300000110Q70 S79Q70-A72 PolarHBondContact O-N 3.11Å; A72-S79 PolarHBondContact N-O 2.94Å; A72-S79 VanDerWaalsContact N-O 3.09Å; A72-S79 PolarHBondContact O-N 2.82Å
73K93.7Very high96.1Very high174 Ų17464.2 Ų64.276%0.75733%0.33SS*.EExtended strand (participates in β ladder)trans-98.2124.8169.2-71.8-169.9177.3-173.30109.4E77K73-E77 CarbonylContact C-O 3.58Å; K73-E77 WeakPolarHBondContact CA-O 3.43Å
74M90.4Very high96.1Very high77 Ų7766 Ų6638%0.37934%0.339SS..EExtended strand (participates in β ladder)trans-122.2108.9177-60.7-177.294.900107.5V46 G76 E77V46-M74 HydrophobicContact CB-CB 4.13Å; V46-M74 HydrophobicContact CB-CG 4.49Å; V46-M74 HydrophobicContact CB-SD 3.94Å; V46-M74 HydrophobicContact CG1-CB 3.91Å; V46-M74 HydrophobicContact CG1-SD 4.11Å; V46-M74 HydrophobicContact CG2-CB 4.41Å; M74-G76 PolarHBondContact O-N 2.83Å; M74-G76 VanDerWaalsContact O-N 3.1Å; M74-E77 PolarHBondContact N-O 2.79Å; M74-E77 PolarHBondContact O-N 3.4Å
75R89.8Confident96.1Very high192 Ų19267.3 Ų67.373%0.72535%0.349SS*.THydrogen-bonded Turntrans54.132.8176.5-60.4-69.2-175.5-131.3-1.2114.9H25 A28 L31H25-R75 VanDerWaalsContact CE1-CB 3.45Å; H25-R75 WeakPolarHBondContact CE1-CB 3.32Å; H25-R75 PolarHBondContact CE1-O 3.2Å; H25-R75 PolarHBondContact NE2-O 3.29Å; A28-R75 HydrophobicContact CB-CG 4.21Å; L31-R75 HydrophobicContact CD1-CG 4.4Å
76G92.9Very high96.1Very high66 Ų6670 Ų7068%0.6837%0.371SS*.THydrogen-bonded Turntrans100.8-21.4178.200000113.5M74M74-G76 PolarHBondContact O-N 2.83Å; M74-G76 VanDerWaalsContact O-N 3.1Å
77E96.3Very high96Very high55 Ų5574.5 Ų74.526%0.25739%0.391SS..EExtended strand (participates in β ladder)trans-90146178.7-68.7-69.417200111.6H25 I33 Q44 V46 K73 M74H25-E77 WeakPolarHBondContact NE2-CG 3.39Å; I33-E77 HydrophobicContact CD1-CG 3.55Å; I33-E77 HydrophobicContact CG1-CB 4.42Å; I33-E77 HydrophobicContact CG1-CG 3.94Å; Q44-E77 PolarHBondContact NE2-OE2 2.89Å; V46-E77 HydrophobicContact CG2-CB 3.56Å; K73-E77 CarbonylContact C-O 3.58Å; K73-E77 WeakPolarHBondContact CA-O 3.43Å; M74-E77 PolarHBondContact N-O 2.79Å; M74-E77 PolarHBondContact O-N 3.4Å
78T96.7Very high96.1Very high45 Ų4575.7 Ų75.728%0.27640%0.398SS..EExtended strand (participates in β ladder)trans-94127.6178.5-57.30000109.6Q44 K71 E80Q44-T78 WeakPolarHBondContact CG-O 3.16Å; Q44-T78 PolarHBondContact NE2-O 2.96Å; K71-T78 HydrophobicContact CB-CG2 4.2Å; K71-T78 HydrophobicContact CD-CG2 4.1Å; T78-E80 HydrophobicContact CG2-CG 3.94Å
79S97.5Very high96.1Very high16 Ų1680.6 Ų80.611%0.11242%0.424CS..EExtended strand (participates in β ladder)trans-98.9113.4168.1-163.80000108.8T45 V46 K71 A72 C81T45-S79 PolarHBondContact OG1-OG 2.88Å; T45-S79 VanDerWaalsContact OG1-OG 3.14Å; V46-S79 PolarHBondContact N-OG 3.36Å; V46-S79 VanDerWaalsContact N-OG 3.15Å; K71-S79 WeakPolarHBondContact CA-O 3.3Å; A72-S79 PolarHBondContact N-O 2.94Å; A72-S79 VanDerWaalsContact N-O 3.09Å; A72-S79 PolarHBondContact O-N 2.82Å; S79-C81 PolarHBondContact OG-O 3.38Å; S79-C81 VanDerWaalsContact OG-O 3.1Å
80E97.9Very high96.1Very high50 Ų5082.9 Ų82.923%0.23444%0.436CS..  trans-100.2-15.2-175.3-53.1-172.3111.500113.2L43 Q44 K71 T78L43-E80 HydrophobicContact CD2-CB 4.46Å; Q44-E80 PolarHBondContact N-OE2 2.82Å; Q44-E80 VanDerWaalsContact N-OE2 3.11Å; Q44-E80 WeakPolarHBondContact O-CA 3.24Å; Q44-E80 WeakPolarHBondContact O-CB 3.44Å; Q44-E80 PolarHBondContact O-N 3.47Å; K71-E80 HydrophobicContact CD-CG 4.19Å; K71-E80 IonicContact NZ-OE1 3.76Å; K71-E80 PolarHBondContact NZ-OE1 3.15Å; T78-E80 HydrophobicContact CG2-CG 3.94Å
81C97.6Very high96Very high2 Ų275.6 Ų75.61%0.01441%0.409CS..SBendtrans-146.2168.4175.162.50000109.5L43 T45 I65 L66 S79L43-C81 HydrophobicContact CB-CB 4.41Å; L43-C81 HydrophobicContact CD1-CB 3.97Å; T45-C81 VanDerWaalsContact CB-O 3.3Å; T45-C81 WeakPolarHBondContact CB-O 3.32Å; T45-C81 PolarHBondContact OG1-O 2.89Å; I65-C81 HydrophobicContact CD1-CB 4.06Å; L66-C81 VanDerWaalsContact O-CA 3.22Å; L66-C81 WeakPolarHBondContact O-CA 3.43Å; L66-C81 VanDerWaalsContact O-CB 3.24Å; L66-C81 WeakPolarHBondContact O-CB 3.26Å; S79-C81 PolarHBondContact OG-O 3.38Å; S79-C81 VanDerWaalsContact OG-O 3.1Å
82M97.9Very high96Very high90 Ų9073.1 Ų73.144%0.44341%0.408SS..EExtended strand (participates in β ladder)trans-121.1128.2177.7175.7-179.6-8000109.1I65 L66 L69 L84I65-M82 CarbonylContact C-O 3.57Å; I65-M82 WeakPolarHBondContact CA-O 3.39Å; I65-M82 WeakPolarHBondContact CB-O 3.31Å; L66-M82 HydrophobicContact CB-CB 4.39Å; L66-M82 PolarHBondContact N-O 3.02Å; L66-M82 PolarHBondContact O-N 2.83Å; L66-M82 VanDerWaalsContact O-N 3.1Å; L69-M82 HydrophobicContact CD2-CB 4.05Å; L69-M82 HydrophobicContact CD2-CE 3.48Å; L69-M82 VanDerWaalsContact CD2-CE 3.48Å; L69-M82 HydrophobicContact CD2-SD 4.17Å; M82-L84 HydrophobicContact CG-CD2 4.32Å; M82-L84 HydrophobicContact SD-CD2 4.42Å
83L98.2Very high96.1Very high13 Ų1376.6 Ų76.67%0.06842%0.415CS..EExtended strand (participates in β ladder)trans-70.7134.2166.4-55.4-176.1000108.5V36 T45 T47 L49 V63 I65 L96V36-L83 HydrophobicContact CG2-CD2 4.05Å; T45-L83 HydrophobicContact CG2-CD1 4.35Å; T45-L83 HydrophobicContact CG2-CD2 4.13Å; T45-L83 HydrophobicContact CG2-CG 4Å; T47-L83 HydrophobicContact CG2-CD1 4.09Å; L49-L83 HydrophobicContact CD1-CD1 3.74Å; V63-L83 HydrophobicContact CG2-CD2 4.05Å; I65-L83 HydrophobicContact CB-CD2 4.46Å; I65-L83 HydrophobicContact CG2-CD2 3.4Å; I65-L83 VanDerWaalsContact CG2-CD2 3.4Å; L83-L96 HydrophobicContact CB-CD2 3.79Å; L83-L96 HydrophobicContact CD1-CD2 4Å; L83-L96 HydrophobicContact CG-CD2 4.44Å
84L98.2Very high96.3Very high36 Ų3668.6 Ų68.619%0.18838%0.381CS..  trans-91.8130.3177.2-56.4-172.2000110.1M14 V64 L66 M82 L97M14-L84 HydrophobicContact CG-CD1 4.21Å; M14-L84 HydrophobicContact SD-CD1 3.52Å; M14-L84 VanDerWaalsContact SD-CD1 3.52Å; V64-L84 HydrophobicContact CG1-CD1 3.78Å; V64-L84 HydrophobicContact CG1-CG 4.35Å; V64-L84 PolarHBondContact O-N 3.04Å; L66-L84 HydrophobicContact CB-CD2 4.28Å; M82-L84 HydrophobicContact CG-CD2 4.32Å; M82-L84 HydrophobicContact SD-CD2 4.42Å; L84-L97 HydrophobicContact CB-CB 4.43Å; L84-L97 HydrophobicContact CB-CD1 3.86Å; L84-L97 HydrophobicContact CB-CG 4.26Å; L84-L97 PolarHBondContact O-N 3.44Å
85C98Very high96.6Very high45 Ų4568.5 Ų68.530%0.30439%0.385SS..EExtended strand (participates in β ladder)trans-126.8149.2179.7-57.10000110.2S94 V95C85-S94 WeakPolarHBondContact CB-OG 3.35Å; C85-V95 CarbonylContact C-O 3.55Å; C85-V95 WeakPolarHBondContact CA-O 3.29Å
86A98.1Very high97Very high56 Ų5659.9 Ų59.946%0.46335%0.353SS..EExtended strand (participates in β ladder)trans-90121.7156.900000107.9S94 V95 L97A86-S94 WeakPolarHBondContact O-CA 3.32Å; A86-V95 PolarHBondContact N-O 3.33Å; A86-V95 PolarHBondContact O-N 3.49Å; A86-L97 HydrophobicContact CB-CD2 4.19Å
87E97.6Very high97.3Very high112 Ų11260.3 Ų60.352%0.52334%0.34SS..EExtended strand (participates in β ladder)trans-123.9140-175.9-174.5162.411600110E93 S94E87-E93 WeakPolarHBondContact CA-O 3.33Å; E87-E93 WeakPolarHBondContact CG-O 3.32Å; E87-S94 VanDerWaalsContact OE2-CB 3.32Å; E87-S94 WeakPolarHBondContact OE2-CB 3.43Å; E87-S94 PolarHBondContact OE2-OG 3.02Å
88T97.8Very high97.4Very high52 Ų5261.8 Ų61.832%0.31935%0.352SS..  trans-72.3150.9173.757.10000110.4D90 G91 S92 E93T88-D90 VanDerWaalsContact CB-OD1 3.31Å; T88-D90 WeakPolarHBondContact CB-OD1 3.34Å; T88-D90 PolarHBondContact O-N 3Å; T88-D90 VanDerWaalsContact O-N 3.09Å; T88-D90 PolarHBondContact OG1-OD1 3.33Å; T88-G91 PolarHBondContact O-N 2.95Å; T88-S92 PolarHBondContact OG1-N 2.8Å; T88-S92 VanDerWaalsContact OG1-N 3.15Å; T88-S92 PolarHBondContact OG1-OG 2.92Å; T88-E93 HydrophobicContact CG2-CB 4.05Å; T88-E93 PolarHBondContact N-O 3.19Å; T88-E93 PolarHBondContact OG1-N 3.09Å; T88-E93 VanDerWaalsContact OG1-N 3.17Å
89D96.3Very high97.4Very high182 Ų18261.1 Ų61.197%0.97335%0.349SS*.THydrogen-bonded Turntrans-58.5-27.6-178.1-69.6-22.2000113.4
90D96.2Very high97.4Very high122 Ų12269.1 Ų69.165%0.65239%0.385SS*.THydrogen-bonded Turntrans-88.3-3.6177.368.2-3.4000114T88 S92T88-D90 VanDerWaalsContact CB-OD1 3.31Å; T88-D90 WeakPolarHBondContact CB-OD1 3.34Å; T88-D90 PolarHBondContact O-N 3Å; T88-D90 VanDerWaalsContact O-N 3.09Å; T88-D90 PolarHBondContact OG1-OD1 3.33Å; D90-S92 VanDerWaalsContact CG-OG 3.29Å; D90-S92 PolarHBondContact O-N 3.24Å; D90-S92 VanDerWaalsContact OD1-CB 3.31Å; D90-S92 WeakPolarHBondContact OD1-CB 3.47Å; D90-S92 PolarHBondContact OD1-N 2.85Å; D90-S92 PolarHBondContact OD1-OG 2.98Å; D90-S92 PolarHBondContact OD2-OG 3Å
91G94.1Very high97.3Very high24 Ų2475.7 Ų75.725%0.24741%0.407CS..SBendtrans64.420.1-177.200000114.1Y52 T88 E93Y52-G91 PolarHBondContact OH-O 2.75Å; T88-G91 PolarHBondContact O-N 2.95Å; G91-E93 VanDerWaalsContact C-N 3.34Å
92S95.7Very high97.1Very high76 Ų7683.6 Ų83.653%0.53145%0.446SS..SBendtrans-72.1-28.8175.660.60000112.6T88 D90T88-S92 PolarHBondContact OG1-N 2.8Å; T88-S92 VanDerWaalsContact OG1-N 3.15Å; T88-S92 PolarHBondContact OG1-OG 2.92Å; D90-S92 VanDerWaalsContact CG-OG 3.29Å; D90-S92 PolarHBondContact O-N 3.24Å; D90-S92 VanDerWaalsContact OD1-CB 3.31Å; D90-S92 WeakPolarHBondContact OD1-CB 3.47Å; D90-S92 PolarHBondContact OD1-N 2.85Å; D90-S92 PolarHBondContact OD1-OG 2.98Å; D90-S92 PolarHBondContact OD2-OG 3Å
93E96.6Very high97.1Very high123 Ų12383.3 Ų83.358%0.57545%0.445SS*.  trans-133.3140.1175.5-64.4-169.2161.200111.8E87 T88 G91E87-E93 WeakPolarHBondContact CA-O 3.33Å; E87-E93 WeakPolarHBondContact CG-O 3.32Å; T88-E93 HydrophobicContact CG2-CB 4.05Å; T88-E93 PolarHBondContact N-O 3.19Å; T88-E93 PolarHBondContact OG1-N 3.09Å; T88-E93 VanDerWaalsContact OG1-N 3.17Å; G91-E93 VanDerWaalsContact C-N 3.34Å
94S97.7Very high97Very high6 Ų687 Ų874%0.04247%0.469CS..EExtended strand (participates in β ladder)trans-138.3111.3172.6-162.10000109.4Y52 Y53 C85 A86 E87Y52-S94 VanDerWaalsContact CE2-CB 3.46Å; Y53-S94 VanDerWaalsContact CE2-O 3.31Å; Y53-S94 WeakPolarHBondContact CE2-O 3.22Å; Y53-S94 PolarHBondContact OH-O 3.41Å; C85-S94 WeakPolarHBondContact CB-OG 3.35Å; A86-S94 WeakPolarHBondContact O-CA 3.32Å; E87-S94 VanDerWaalsContact OE2-CB 3.32Å; E87-S94 WeakPolarHBondContact OE2-CB 3.43Å; E87-S94 PolarHBondContact OE2-OG 3.02Å
95V98.2Very high97Very high75 Ų7586.5 Ų86.546%0.45547%0.47SS..EExtended strand (participates in β ladder)trans-109.6121.7-171.2-174.60000110.8Y53 C85 A86 L97Y53-V95 VanDerWaalsContact OH-CA 3.31Å; Y53-V95 WeakPolarHBondContact OH-CA 3.32Å; C85-V95 CarbonylContact C-O 3.55Å; C85-V95 WeakPolarHBondContact CA-O 3.29Å; A86-V95 PolarHBondContact N-O 3.33Å; A86-V95 PolarHBondContact O-N 3.49Å; V95-L97 PolarHBondContact O-N 3.1Å
96L98.5Very high97Very high12 Ų1285 Ų856%0.06346%0.462CS..EExtended strand (participates in β ladder)trans-63.1130.9177.5-80.7166.1000111.2L49 Y53 L58 K61 V63 L83L49-L96 HydrophobicContact CD1-CD1 4Å; L49-L96 HydrophobicContact CD1-CD2 3.87Å; L49-L96 HydrophobicContact CD1-CG 4.04Å; Y53-L96 HydrophobicContact CE2-CD1 4.25Å; Y53-L96 HydrophobicContact CE2-CG 4.27Å; Y53-L96 PolarHBondContact OH-N 3.37Å; Y53-L96 VanDerWaalsContact OH-N 3.11Å; L58-L96 HydrophobicContact CD2-CD1 3.53Å; K61-L96 HydrophobicContact CD-CD1 3.78Å; V63-L96 HydrophobicContact CG1-CB 4.38Å; V63-L96 HydrophobicContact CG1-CD1 3.99Å; V63-L96 HydrophobicContact CG1-CD2 4.16Å; V63-L96 HydrophobicContact CG1-CG 4.43Å; L83-L96 HydrophobicContact CB-CD2 3.79Å; L83-L96 HydrophobicContact CD1-CD2 4Å; L83-L96 HydrophobicContact CG-CD2 4.44Å
97L98.4Very high97Very high75 Ų7584.7 Ų84.739%0.39345%0.454SS..  trans-72.4137172.2-59.7-172.6000110.1V63 V64 L84 A86 V95V63-L97 CarbonylContact C-O 3.6Å; V63-L97 WeakPolarHBondContact CA-O 3.21Å; V64-L97 HydrophobicContact CB-CB 4.17Å; V64-L97 HydrophobicContact CG2-CB 4.26Å; V64-L97 PolarHBondContact N-O 2.78Å; L84-L97 HydrophobicContact CB-CB 4.43Å; L84-L97 HydrophobicContact CB-CD1 3.86Å; L84-L97 HydrophobicContact CB-CG 4.26Å; L84-L97 PolarHBondContact O-N 3.44Å; A86-L97 HydrophobicContact CB-CD2 4.19Å; V95-L97 PolarHBondContact O-N 3.1Å
98T97.7Very high96.9Very high85 Ų8584.3 Ų84.352%0.52145%0.448SS..  trans-142147.3-179.5-164.60000109.3T62T62-T98 WeakPolarHBondContact O-CB 3.38Å; T62-T98 PolarHBondContact O-OG1 3.17Å
99P97.6Very high96.9Very high32 Ų3283.9 Ų83.921%0.20845%0.445CS..  trans-60.1147.3169.127.3-36000110.6V16 T62 R101 M103V16-P99 HydrophobicContact CG1-CG 4.38Å; V16-P99 HydrophobicContact CG2-CG 4.36Å; T62-P99 HydrophobicContact CG2-CG 3.89Å; P99-R101 WeakPolarHBondContact CB-O 3.32Å; P99-R101 WeakPolarHBondContact CG-O 3.25Å; P99-R101 PolarHBondContact O-N 3.25Å; P99-M103 HydrophobicContact CB-CB 4.5Å; P99-M103 HydrophobicContact CB-CG 3.98Å; P99-M103 HydrophobicContact CG-CB 4.18Å; P99-M103 HydrophobicContact CG-CG 4.18Å
100E97Very high96.8Very high184 Ų18481.9 Ų81.986%0.8644%0.439SS*.SBendtrans-52.9-31.6178.9-171.6-147.6149.900112.8
101R96.1Very high96.8Very high188 Ų18879.9 Ų79.971%0.70943%0.429SS*.SBendtrans-130.5157.9177.2-65-177.4-71.5168.7-1.1109.6P99 M103P99-R101 WeakPolarHBondContact CB-O 3.32Å; P99-R101 WeakPolarHBondContact CG-O 3.25Å; P99-R101 PolarHBondContact O-N 3.25Å; R101-M103 PolarHBondContact O-N 2.67Å
102M94Very high97Very high168 Ų16882.8 Ų82.883%0.82844%0.438SS*.  trans-56.5126.6175.8-172.1176.4-67.500110.4
103M97.1Very high97Very high84 Ų8483.2 Ų83.241%0.41443%0.433SS..  trans-124.4149176.9-70.6-64.6-70.600109.4V16 P99 R101 V107V16-M103 HydrophobicContact CG1-CB 4.24Å; V16-M103 HydrophobicContact CG2-CB 4.16Å; P99-M103 HydrophobicContact CB-CB 4.5Å; P99-M103 HydrophobicContact CB-CG 3.98Å; P99-M103 HydrophobicContact CG-CB 4.18Å; P99-M103 HydrophobicContact CG-CG 4.18Å; R101-M103 PolarHBondContact O-N 2.67Å; M103-V107 HydrophobicContact CE-CG1 3.89Å; M103-V107 HydrophobicContact CE-CG2 4.36Å
104P96.7Very high97.1Very high89 Ų8980.8 Ų80.858%0.57843%0.425SS*.  trans-57.5145.9173.9-23.732.9000112.5V107P104-V107 HydrophobicContact CB-CG2 4.02Å; P104-V107 HydrophobicContact CG-CG2 4.33Å; P104-V107 VanDerWaalsContact O-CG2 3.25Å; P104-V107 WeakPolarHBondContact O-CG2 3.31Å; P104-V107 PolarHBondContact O-N 3.25Å
105A97.8Very high97Very high26 Ų2685.5 Ų85.522%0.21545%0.449CS..THydrogen-bonded Turntrans-60.6143171.700000110.9K18 V107K18-A105 HydrophobicContact CB-CB 4.43Å; A105-V107 VanDerWaalsContact C-N 3.32Å; A105-V107 PolarHBondContact O-N 3.3Å
106G97.6Very high96.9Very high13 Ų1386.2 Ų86.213%0.13445%0.448CS..THydrogen-bonded Turntrans86.5-9.2-179.300000115.5R15 V16 V38 R108R15-G106 PolarHBondContact NH1-O 3.15Å; V16-G106 PolarHBondContact O-N 2.96Å; V38-G106 VanDerWaalsContact C-CA 3.48Å; V38-G106 WeakPolarHBondContact O-CA 3.43Å; G106-R108 PolarHBondContact O-N 3.09Å
107V97.8Very high96.8Very high50 Ų5091.5 Ų91.530%0.30348%0.476SS..PPolyproline II helixtrans-59.3131.7174.6172.50000109.6R15 V16 M103 P104 A105R15-V107 CarbonylContact C-O 3.53Å; R15-V107 VanDerWaalsContact CA-O 3.23Å; R15-V107 WeakPolarHBondContact CA-O 3.45Å; V16-V107 HydrophobicContact CB-CB 4.38Å; V16-V107 HydrophobicContact CG2-CB 4.21Å; V16-V107 PolarHBondContact N-O 2.64Å; M103-V107 HydrophobicContact CE-CG1 3.89Å; M103-V107 HydrophobicContact CE-CG2 4.36Å; P104-V107 HydrophobicContact CB-CG2 4.02Å; P104-V107 HydrophobicContact CG-CG2 4.33Å; P104-V107 VanDerWaalsContact O-CG2 3.25Å; P104-V107 WeakPolarHBondContact O-CG2 3.31Å; P104-V107 PolarHBondContact O-N 3.25Å; A105-V107 VanDerWaalsContact C-N 3.32Å; A105-V107 PolarHBondContact O-N 3.3Å
108R97Very high96.7Very high104 Ų10492.8 Ų92.839%0.39248%0.482SS..BIsolated β-bridgetrans-73.3136.5-179.9-174.1175.7-178163.89.6110.5A10 E13 G106 V110A10-R108 PolarHBondContact O-NH2 2.88Å; A10-R108 VanDerWaalsContact O-NH2 3.07Å; E13-R108 IonicContact OE1-CZ 3.97Å; E13-R108 IonicContact OE1-NH2 3.72Å; G106-R108 PolarHBondContact O-N 3.09Å; R108-V110 HydrophobicContact CG-CG1 4.07Å
109V96.9Very high96.6Very high43 Ų4393.4 Ų93.426%0.26148%0.479SS..PPolyproline II helixtrans-82.7131.2166.9179.70000108.2M14 V64M14-V109 HydrophobicContact CB-CB 3.84Å; M14-V109 HydrophobicContact CB-CG2 4.27Å; M14-V109 PolarHBondContact O-N 2.88Å; V64-V109 HydrophobicContact CG1-CG2 3.83Å; V64-V109 HydrophobicContact CG2-CG2 4.39Å
110V94.2Very high96.6Very high140 Ų14099 Ų9985%0.84850%0.504SS*.  trans-131.50-173.3-63.20000111.3F9 R108F9-V110 VanDerWaalsContact CE1-OXT 3.29Å; F9-V110 WeakPolarHBondContact CE1-OXT 3.31Å; R108-V110 HydrophobicContact CG-CG1 4.07Å

Retrieved 110 of 110 residues in 62.5 ms (Link to these results)

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