A0A077Z196_TRITR Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A077Z196, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 90 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
1M34.2Very low76.1Confident238 Ų238110.5 Ų110.5100%1.17262%0.623SS**  0116.60-64.1-165.5-79.900106.1E3M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.13Å
2A46Very low77.9Confident92 Ų92103.9 Ų103.976%0.7659%0.593SS**  trans-64.3114.4171.300000106.2G4A2-G4 PolarHBondContact O-N 3.06Å
3E50.5Low79.4Confident189 Ų189100.4 Ų100.488%0.88357%0.571SS**  trans-51.6114.1171-78.9178.110700107.2M1 R5M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-R5 PolarHBondContact O-N 3.13Å
4G58Low80.8Confident74 Ų7494.4 Ų94.476%0.76354%0.537SS*.PPolyproline II helixtrans-56.2116.2-171.700000108.8A2 A6A2-G4 PolarHBondContact O-N 3.06Å; G4-A6 PolarHBondContact O-N 2.96Å
5R74.3Confident81.9Confident133 Ų13391.9 Ų91.950%0.50253%0.527SS..PPolyproline II helixtrans-55.4120.7175.4-71.6177.9-180140.1-0.8107.3E3 T7 M30 V79E3-R5 PolarHBondContact O-N 3.13Å; R5-T7 PolarHBondContact O-N 3.02Å; R5-T7 VanDerWaalsContact O-N 3.13Å; R5-T7 PolarHBondContact O-OG1 2.98Å; R5-M30 VanDerWaalsContact NH1-CE 3.32Å; R5-V79 HydrophobicContact CB-CG1 3.53Å; R5-V79 HydrophobicContact CG-CG1 4.41Å
6A89.2Confident82.9Confident74 Ų7494.7 Ų94.761%0.61253%0.534SS*.PPolyproline II helixtrans-53.5124.7-17900000109.2G4 G80G4-A6 PolarHBondContact O-N 2.96Å; A6-G80 PolarHBondContact O-N 3.38Å
7T95.5Very high83.8Confident51 Ų5195.5 Ų95.531%0.31353%0.532SS..EExtended strand (participates in β ladder)trans-100.8129.1179.2-59.60000109.1R5 I23 F77 Y78 V79R5-T7 PolarHBondContact O-N 3.02Å; R5-T7 VanDerWaalsContact O-N 3.13Å; R5-T7 PolarHBondContact O-OG1 2.98Å; T7-I23 HydrophobicContact CG2-CB 4.48Å; T7-I23 HydrophobicContact CG2-CD1 3.73Å; T7-I23 HydrophobicContact CG2-CG1 3.79Å; T7-I23 HydrophobicContact CG2-CG2 3.89Å; T7-F77 HydrophobicContact CG2-CD2 3.97Å; T7-Y78 CarbonylContact C-O 3.55Å; T7-Y78 VanDerWaalsContact CA-O 3.25Å; T7-Y78 WeakPolarHBondContact CA-O 3.47Å; T7-V79 HydrophobicContact CG2-CG2 4.41Å
8V96.9Very high84.6Confident69 Ų6990.9 Ų90.942%0.41851%0.506SS..EExtended strand (participates in β ladder)trans-129.3109.9-179.3-178.50000109.1K10 F77 Y78V8-K10 HydrophobicContact CG1-CD 4.33Å; V8-F77 CarbonylContact O-C 3.54Å; V8-F77 VanDerWaalsContact O-CA 3.29Å; V8-F77 WeakPolarHBondContact O-CA 3.48Å; V8-F77 WeakPolarHBondContact O-CB 3.29Å; V8-Y78 PolarHBondContact N-O 2.88Å; V8-Y78 PolarHBondContact O-N 3.19Å
9I97.8Very high85.4Confident69 Ų6988.2 Ų88.235%0.35449%0.489SS..EExtended strand (participates in β ladder)trans-74.8126.3172.3-56.8178000108.3A12 Q19 I23 I75 F77I9-A12 HydrophobicContact CG2-CB 4.01Å; I9-Q19 HydrophobicContact CD1-CB 4.45Å; I9-Q19 VanDerWaalsContact CD1-OE1 3.29Å; I9-I23 HydrophobicContact CD1-CD1 4.06Å; I9-I23 HydrophobicContact CG1-CD1 4.26Å; I9-I75 HydrophobicContact CD1-CD1 4.47Å; I9-I75 HydrophobicContact CG2-CG1 4.42Å; I9-F77 HydrophobicContact CB-CB 4.44Å; I9-F77 HydrophobicContact CG1-CB 4.19Å
10K97.1Very high86Confident132 Ų13290.9 Ų90.957%0.57449%0.492SS*.EExtended strand (participates in β ladder)trans-97.9-38.9178-69.2-61.8-173.8-177.50112V8 Y76 Y78V8-K10 HydrophobicContact CG1-CD 4.33Å; K10-Y76 HydrophobicContact CB-CD1 3.46Å; K10-Y76 VanDerWaalsContact CB-CD1 3.46Å; K10-Y76 HydrophobicContact CB-CE1 3.78Å; K10-Y76 HydrophobicContact CB-CG 4.34Å; K10-Y76 HydrophobicContact CG-CD1 4.17Å; K10-Y76 HydrophobicContact CG-CE1 4.02Å; K10-Y76 PolarHBondContact N-O 3.22Å; K10-Y78 HydrophobicContact CG-CD2 3.75Å; K10-Y78 HydrophobicContact CG-CE2 3.93Å
11N97.2Very high86.6Confident94 Ų9487.7 Ų87.750%0.50347%0.474SS..EExtended strand (participates in β ladder)trans-153.8145.1174.2-166.510.7000109.7F74 Y76N11-F74 HydrophobicContact CB-CE1 4.18Å; N11-Y76 PolarHBondContact N-O 2.84Å; N11-Y76 VanDerWaalsContact N-O 3.09Å; N11-Y76 PolarHBondContact O-N 3.24Å
12A98Very high89.7Confident32 Ų3276.3 Ų76.326%0.26442%0.419SS..EExtended strand (participates in β ladder)trans-151.913117700000110.6I9 Q19 F74 I75I9-A12 HydrophobicContact CG2-CB 4.01Å; A12-Q19 HydrophobicContact CB-CG 4.32Å; A12-F74 CarbonylContact C-O 2.86Å; A12-F74 WeakPolarHBondContact CA-O 3.25Å; A12-I75 HydrophobicContact CB-CG1 4.02Å
13D98Very high92.1Very high58 Ų5873.7 Ų73.731%0.3139%0.391SS..EExtended strand (participates in β ladder)trans-123.479.2164.5174.330.5000106.7H69 K72 N73 F74D13-H69 IonicContact OD2-CE1 3.87Å; D13-K72 VanDerWaalsContact CG-N 3.34Å; D13-K72 CarbonylContact O-C 3.55Å; D13-K72 WeakPolarHBondContact O-CA 3.42Å; D13-K72 PolarHBondContact OD1-N 2.9Å; D13-K72 PolarHBondContact OD2-N 3.28Å; D13-N73 PolarHBondContact O-N 2.94Å; D13-F74 CarbonylContact C-O 3.57Å; D13-F74 HydrophobicContact CB-CB 4.36Å; D13-F74 PolarHBondContact N-O 2.82Å; D13-F74 PolarHBondContact O-N 3.35Å
14M98Very high94.4Very high17 Ų1769.3 Ų69.38%0.08437%0.371CS..SBendtrans-171.2167.3176.554.7168.460.700110.5M18 Q19 W55 K72 F74 I75M14-M18 HydrophobicContact CB-CB 4.36Å; M14-M18 HydrophobicContact CB-CG 4.45Å; M14-M18 HydrophobicContact CB-SD 3.76Å; M14-M18 HydrophobicContact CE-CG 4.11Å; M14-M18 HydrophobicContact CE-SD 3.71Å; M14-M18 HydrophobicContact CG-SD 4.43Å; M14-M18 HydrophobicContact SD-CB 3.96Å; M14-M18 HydrophobicContact SD-CG 3.67Å; M14-M18 HydrophobicContact SD-SD 3.89Å; M14-Q19 HydrophobicContact CG-CG 3.67Å; M14-Q19 PolarHBondContact O-NE2 3.06Å; M14-Q19 HydrophobicContact SD-CG 3.92Å; M14-W55 HydrophobicContact CE-CH2 3.94Å; M14-W55 HydrophobicContact CE-CZ3 4Å; M14-K72 WeakPolarHBondContact CA-O 3.4Å; M14-K72 WeakPolarHBondContact CB-O 3.32Å; M14-F74 VanDerWaalsContact CE-C 3.5Å; M14-I75 HydrophobicContact CE-CB 3.75Å; M14-I75 HydrophobicContact CE-CG2 3.64Å; M14-I75 HydrophobicContact CG-CB 4.37Å; M14-I75 HydrophobicContact SD-CB 3.72Å; M14-I75 HydrophobicContact SD-CD1 4.25Å; M14-I75 HydrophobicContact SD-CG1 4.47Å; M14-I75 HydrophobicContact SD-CG2 3.88Å
15S98.1Very high96.3Very high57 Ų5766.5 Ų66.540%0.39934%0.339SS..  trans-66.9152.8179.470.60000112.7E17 M18 Q19S15-E17 PolarHBondContact O-N 2.81Å; S15-M18 PolarHBondContact O-N 2.88Å; S15-M18 VanDerWaalsContact O-N 3.08Å; S15-M18 WeakPolarHBondContact OG-CB 3.32Å; S15-M18 PolarHBondContact OG-N 3.43Å; S15-Q19 WeakPolarHBondContact O-CG 3.38Å; S15-Q19 PolarHBondContact O-N 3.03Å
16E98.1Very high97.4Very high136 Ų13660.2 Ų60.264%0.63632%0.315SS*.Hα-helixtrans-59-32176.8-64.1-171.6170.500113.2Q19 R20E16-Q19 PolarHBondContact O-N 3.09Å; E16-R20 WeakPolarHBondContact O-CG 3.38Å; E16-R20 PolarHBondContact O-N 3.07Å; E16-R20 IonicContact OE2-NH1 3.52Å
17E98.3Very high97.7Very high108 Ų10859 Ų5951%0.50530%0.299SS..Hα-helixtrans-62.1-47.9174.4-176.6-177.1-178.200111.1S15 Q19 R20 D21S15-E17 PolarHBondContact O-N 2.81Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 2.86Å; E17-R20 PolarHBondContact O-N 3.43Å; E17-D21 PolarHBondContact O-N 2.8Å
18M98.4Very high97.8Very high13 Ų1360.7 Ų60.76%0.06430%0.302CS..Hα-helixtrans-66.5-33.8177.9-167.2-177.1-76.600111.5M14 S15 D21 A22 F47 W51 W55M14-M18 HydrophobicContact CB-CB 4.36Å; M14-M18 HydrophobicContact CB-CG 4.45Å; M14-M18 HydrophobicContact CB-SD 3.76Å; M14-M18 HydrophobicContact CE-CG 4.11Å; M14-M18 HydrophobicContact CE-SD 3.71Å; M14-M18 HydrophobicContact CG-SD 4.43Å; M14-M18 HydrophobicContact SD-CB 3.96Å; M14-M18 HydrophobicContact SD-CG 3.67Å; M14-M18 HydrophobicContact SD-SD 3.89Å; S15-M18 PolarHBondContact O-N 2.88Å; S15-M18 VanDerWaalsContact O-N 3.08Å; S15-M18 WeakPolarHBondContact OG-CB 3.32Å; S15-M18 PolarHBondContact OG-N 3.43Å; M18-D21 WeakPolarHBondContact O-CB 3.28Å; M18-D21 PolarHBondContact O-N 3.4Å; M18-A22 WeakPolarHBondContact O-CB 3.49Å; M18-A22 PolarHBondContact O-N 3.02Å; M18-F47 HydrophobicContact CG-CE1 3.93Å; M18-W51 HydrophobicContact CB-CZ2 4.07Å; M18-W51 HydrophobicContact CE-CB 4.41Å; M18-W51 HydrophobicContact CE-CD2 3.52Å; M18-W51 HydrophobicContact CE-CE3 3.35Å; M18-W51 HydrophobicContact CE-CG 4.01Å; M18-W51 HydrophobicContact CE-CH2 4.27Å; M18-W51 HydrophobicContact CE-CZ2 4.41Å; M18-W51 HydrophobicContact CE-CZ3 3.76Å; M18-W51 HydrophobicContact CG-CD2 4.24Å; M18-W51 HydrophobicContact CG-CG 4.48Å; M18-W51 HydrophobicContact CG-CZ2 4.23Å; M18-W55 HydrophobicContact CE-CZ2 4.37Å; M18-W55 HydrophobicContact SD-CH2 3.61Å; M18-W55 HydrophobicContact SD-CZ2 4.03Å
19Q98.6Very high97.8Very high39 Ų3957.4 Ų57.418%0.18228%0.282CS..Hα-helixtrans-63.9-45.3172.7-63.5177.133.600111.7I9 A12 M14 S15 E16 E17 D21 A22 I23 I75I9-Q19 HydrophobicContact CD1-CB 4.45Å; I9-Q19 VanDerWaalsContact CD1-OE1 3.29Å; A12-Q19 HydrophobicContact CB-CG 4.32Å; M14-Q19 HydrophobicContact CG-CG 3.67Å; M14-Q19 PolarHBondContact O-NE2 3.06Å; M14-Q19 HydrophobicContact SD-CG 3.92Å; S15-Q19 WeakPolarHBondContact O-CG 3.38Å; S15-Q19 PolarHBondContact O-N 3.03Å; E16-Q19 PolarHBondContact O-N 3.09Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 2.86Å; Q19-D21 VanDerWaalsContact C-N 3.33Å; Q19-D21 PolarHBondContact O-N 3.37Å; Q19-A22 WeakPolarHBondContact O-CB 3.38Å; Q19-A22 PolarHBondContact O-N 3.47Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 3.19Å; Q19-I75 HydrophobicContact CB-CD1 4.04Å; Q19-I75 HydrophobicContact CG-CD1 3.91Å
20R98Very high97.7Very high142 Ų14255.2 Ų55.254%0.53627%0.271SS..Hα-helixtrans-60.2-44.5175.8-74.6-174.6-65.1-94.14.1111.3E16 E17 A22 I23 E24E16-R20 WeakPolarHBondContact O-CG 3.38Å; E16-R20 PolarHBondContact O-N 3.07Å; E16-R20 IonicContact OE2-NH1 3.52Å; E17-R20 PolarHBondContact O-N 3.43Å; R20-A22 VanDerWaalsContact C-N 3.31Å; R20-A22 PolarHBondContact O-N 2.91Å; R20-I23 PolarHBondContact O-N 3.32Å; R20-E24 WeakPolarHBondContact O-CB 3.44Å; R20-E24 PolarHBondContact O-N 3.09Å
21D98.3Very high97.6Very high24 Ų2456.1 Ų56.113%0.12828%0.277CS..Hα-helixtrans-59.3-41.4174.6-79.2-19.8000112.6E17 M18 Q19 E24 C25 F47 K50 W51E17-D21 PolarHBondContact O-N 2.8Å; M18-D21 WeakPolarHBondContact O-CB 3.28Å; M18-D21 PolarHBondContact O-N 3.4Å; Q19-D21 VanDerWaalsContact C-N 3.33Å; Q19-D21 PolarHBondContact O-N 3.37Å; D21-E24 PolarHBondContact O-N 2.92Å; D21-C25 WeakPolarHBondContact O-CB 3.35Å; D21-C25 PolarHBondContact O-N 3.36Å; D21-F47 HydrophobicContact CB-CZ 4.05Å; D21-K50 IonicContact OD1-NZ 2.78Å; D21-K50 PolarHBondContact OD1-NZ 2.91Å; D21-K50 WeakPolarHBondContact OD2-CD 3.35Å; D21-K50 WeakPolarHBondContact OD2-CE 3.43Å; D21-K50 IonicContact OD2-NZ 2.68Å; D21-K50 PolarHBondContact OD2-NZ 3.5Å; D21-W51 WeakPolarHBondContact OD2-CZ2 3.31Å; D21-W51 PolarHBondContact OD2-NE1 3.44Å
22A98.6Very high97.5Very high0 Ų058.5 Ų58.50%028%0.283CS..Hα-helixtrans-63-44.7179.800000110.9M18 Q19 R20 A26 F47 I75 F77 L86M18-A22 WeakPolarHBondContact O-CB 3.49Å; M18-A22 PolarHBondContact O-N 3.02Å; Q19-A22 WeakPolarHBondContact O-CB 3.38Å; Q19-A22 PolarHBondContact O-N 3.47Å; R20-A22 VanDerWaalsContact C-N 3.31Å; R20-A22 PolarHBondContact O-N 2.91Å; A22-A26 VanDerWaalsContact O-CB 3.26Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 3.46Å; A22-F47 HydrophobicContact CB-CE1 4.43Å; A22-F47 HydrophobicContact CB-CE2 4.17Å; A22-F47 HydrophobicContact CB-CZ 3.61Å; A22-I75 HydrophobicContact CB-CD1 4.25Å; A22-I75 HydrophobicContact CB-CG2 4.12Å; A22-F77 HydrophobicContact CB-CE1 4.18Å; A22-F77 HydrophobicContact CB-CZ 4.38Å; A22-L86 HydrophobicContact CB-CD2 4.03Å
23I97.8Very high97.4Very high36 Ų3658.3 Ų58.319%0.18528%0.279CS..Hα-helixtrans-67-45.8178.9-65.5169.1000110.9T7 I9 Q19 R20 A26 N27 F77T7-I23 HydrophobicContact CG2-CB 4.48Å; T7-I23 HydrophobicContact CG2-CD1 3.73Å; T7-I23 HydrophobicContact CG2-CG1 3.79Å; T7-I23 HydrophobicContact CG2-CG2 3.89Å; I9-I23 HydrophobicContact CD1-CD1 4.06Å; I9-I23 HydrophobicContact CG1-CD1 4.26Å; Q19-I23 WeakPolarHBondContact O-CG1 3.45Å; Q19-I23 PolarHBondContact O-N 3.19Å; R20-I23 PolarHBondContact O-N 3.32Å; I23-A26 PolarHBondContact O-N 3.39Å; I23-N27 PolarHBondContact O-N 3.47Å; I23-N27 PolarHBondContact O-ND2 2.89Å; I23-N27 VanDerWaalsContact O-ND2 3.09Å; I23-F77 HydrophobicContact CG1-CD2 4.23Å; I23-F77 HydrophobicContact CG1-CE2 4.08Å
24E97.4Very high97Very high98 Ų9861.1 Ų61.146%0.45830%0.303SS..Hα-helixtrans-64.7-42.6178.4-168.1-174.1164.700111.5R20 D21 A26 N27 K28R20-E24 WeakPolarHBondContact O-CB 3.44Å; R20-E24 PolarHBondContact O-N 3.09Å; D21-E24 PolarHBondContact O-N 2.92Å; E24-A26 VanDerWaalsContact C-N 3.34Å; E24-A26 PolarHBondContact O-N 3.35Å; E24-N27 PolarHBondContact O-N 2.98Å; E24-K28 HydrophobicContact CG-CD 4.46Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 2.89Å; E24-K28 WeakPolarHBondContact OE1-CE 3.26Å; E24-K28 IonicContact OE1-NZ 2.62Å; E24-K28 PolarHBondContact OE1-NZ 2.99Å
25C98.1Very high96.9Very high15 Ų1564.8 Ų64.810%0.10132%0.322CS..Hα-helixtrans-61.9-43.6176.1-169.10000111.3D21 K28 A29 F47D21-C25 WeakPolarHBondContact O-CB 3.35Å; D21-C25 PolarHBondContact O-N 3.36Å; C25-K28 PolarHBondContact O-N 3.22Å; C25-A29 WeakPolarHBondContact O-CB 3.39Å; C25-A29 PolarHBondContact O-N 2.84Å; C25-F47 HydrophobicContact CB-CD2 4.46Å; C25-F47 HydrophobicContact CB-CE2 3.98Å
26A97.8Very high96.9Very high0 Ų065.6 Ų65.60%032%0.32CS..Hα-helixtrans-61.4-45.8175.300000112.5A22 I23 E24 K28 A29 M30 I43 F77 I84A22-A26 VanDerWaalsContact O-CB 3.26Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 3.46Å; I23-A26 PolarHBondContact O-N 3.39Å; E24-A26 VanDerWaalsContact C-N 3.34Å; E24-A26 PolarHBondContact O-N 3.35Å; A26-K28 PolarHBondContact O-N 2.88Å; A26-A29 WeakPolarHBondContact O-CB 3.5Å; A26-A29 PolarHBondContact O-N 3.23Å; A26-M30 WeakPolarHBondContact O-CB 3.41Å; A26-M30 VanDerWaalsContact O-CG 3.28Å; A26-M30 WeakPolarHBondContact O-CG 3.28Å; A26-M30 PolarHBondContact O-N 3.18Å; A26-I43 HydrophobicContact CB-CD1 3.96Å; A26-F77 HydrophobicContact CB-CE2 3.86Å; A26-F77 HydrophobicContact CB-CZ 3.76Å; A26-I84 HydrophobicContact CB-CD1 3.42Å; A26-I84 VanDerWaalsContact CB-CD1 3.42Å
27N96.1Very high96.9Very high50 Ų5066.5 Ų66.527%0.26732%0.321SS..Hα-helixtrans-59.4-47.2176.5-76.5-44.7000111.3I23 E24 A29 M30 E31I23-N27 PolarHBondContact O-N 3.47Å; I23-N27 PolarHBondContact O-ND2 2.89Å; I23-N27 VanDerWaalsContact O-ND2 3.09Å; E24-N27 PolarHBondContact O-N 2.98Å; N27-A29 VanDerWaalsContact C-N 3.32Å; N27-A29 PolarHBondContact O-N 3.39Å; N27-M30 PolarHBondContact O-N 3.44Å; N27-E31 WeakPolarHBondContact O-CG 3.47Å; N27-E31 PolarHBondContact O-N 2.9Å
28K96.7Very high96.9Very high86 Ų8664.2 Ų64.237%0.37431%0.313SS..Hα-helixtrans-60.5-40.1175.3-71.9173.8-176.6168.30112.4E24 C25 A26 E31 K32 Y42E24-K28 HydrophobicContact CG-CD 4.46Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 2.89Å; E24-K28 WeakPolarHBondContact OE1-CE 3.26Å; E24-K28 IonicContact OE1-NZ 2.62Å; E24-K28 PolarHBondContact OE1-NZ 2.99Å; C25-K28 PolarHBondContact O-N 3.22Å; A26-K28 PolarHBondContact O-N 2.88Å; K28-E31 PolarHBondContact O-N 3.05Å; K28-K32 WeakPolarHBondContact O-CG 3.33Å; K28-K32 PolarHBondContact O-N 3.21Å; K28-Y42 HydrophobicContact CB-CE1 4.43Å
29A97.3Very high96.9Very high0 Ų064.1 Ų64.10%031%0.312CS..Hα-helixtrans-64.3-43.9177.200000111.1C25 A26 N27 E31 K32 C33 I39 Y42 I43C25-A29 WeakPolarHBondContact O-CB 3.39Å; C25-A29 PolarHBondContact O-N 2.84Å; A26-A29 WeakPolarHBondContact O-CB 3.5Å; A26-A29 PolarHBondContact O-N 3.23Å; N27-A29 VanDerWaalsContact C-N 3.32Å; N27-A29 PolarHBondContact O-N 3.39Å; A29-E31 VanDerWaalsContact C-N 3.29Å; A29-E31 PolarHBondContact O-N 3.32Å; A29-K32 PolarHBondContact O-N 3.2Å; A29-C33 VanDerWaalsContact O-CB 3.28Å; A29-C33 WeakPolarHBondContact O-CB 3.46Å; A29-C33 PolarHBondContact O-N 2.86Å; A29-I39 HydrophobicContact CB-CB 4.47Å; A29-I39 HydrophobicContact CB-CG2 3.81Å; A29-Y42 HydrophobicContact CB-CD1 3.54Å; A29-Y42 HydrophobicContact CB-CE1 4.22Å; A29-Y42 HydrophobicContact CB-CG 3.95Å; A29-I43 HydrophobicContact CB-CD1 4.31Å; A29-I43 HydrophobicContact CB-CG1 3.84Å
30M95.2Very high96.9Very high23 Ų2362.8 Ų62.811%0.11331%0.308CS..Hα-helixtrans-71.5-19.2179-67.9-174.984.400114.3R5 A26 N27 I39 V79 I82R5-M30 VanDerWaalsContact NH1-CE 3.32Å; A26-M30 WeakPolarHBondContact O-CB 3.41Å; A26-M30 VanDerWaalsContact O-CG 3.28Å; A26-M30 WeakPolarHBondContact O-CG 3.28Å; A26-M30 PolarHBondContact O-N 3.18Å; N27-M30 PolarHBondContact O-N 3.44Å; M30-I39 HydrophobicContact CG-CD1 4.18Å; M30-I39 HydrophobicContact CG-CG2 4.26Å; M30-V79 HydrophobicContact CE-CG1 4.47Å; M30-V79 HydrophobicContact SD-CB 3.8Å; M30-V79 HydrophobicContact SD-CG1 3.58Å; M30-V79 VanDerWaalsContact SD-CG1 3.58Å; M30-V79 HydrophobicContact SD-CG2 4.5Å; M30-I82 HydrophobicContact CE-CB 4.02Å; M30-I82 HydrophobicContact CE-CG1 3.7Å
31E95Very high96.9Very high151 Ų15158.7 Ų58.771%0.70630%0.304SS*.Hα-helixtrans-79.2-35.1170.5-74172.8-179.600111.9N27 K28 A29N27-E31 WeakPolarHBondContact O-CG 3.47Å; N27-E31 PolarHBondContact O-N 2.9Å; K28-E31 PolarHBondContact O-N 3.05Å; A29-E31 VanDerWaalsContact C-N 3.29Å; A29-E31 PolarHBondContact O-N 3.32Å
32K95.4Very high96.9Very high143 Ų14359 Ų5962%0.62230%0.304SS*.Hα-helixtrans-91.2-27.8-175.3-69.2177.7-178.5-178.40114.1K28 A29 Y42K28-K32 WeakPolarHBondContact O-CG 3.33Å; K28-K32 PolarHBondContact O-N 3.21Å; A29-K32 PolarHBondContact O-N 3.2Å; K32-Y42 HydrophobicContact CD-CE2 3.78Å; K32-Y42 PolarHBondContact NZ-OH 2.62Å
33C95.4Very high96.9Very high29 Ų2959 Ų5920%0.19630%0.304CS..  trans-123.5138.1-170.9-590000110.3A29 D38 I39A29-C33 VanDerWaalsContact O-CB 3.28Å; A29-C33 WeakPolarHBondContact O-CB 3.46Å; A29-C33 PolarHBondContact O-N 2.86Å; C33-D38 HydrophobicContact CB-CB 3.98Å; C33-I39 HydrophobicContact CB-CG1 3.65Å
34S91.5Very high97Very high116 Ų11660.6 Ų60.681%0.81131%0.31SS*.SBendtrans-100.3-16.6178.653.40000113.7
35I95.6Very high97Very high94 Ų9462.3 Ų62.348%0.48231%0.312SS..SBendtrans-107.6133.5-176.2-57.5175.6000109.7K37 D38 I39I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 HydrophobicContact CG2-CB 4.17Å; I35-K37 PolarHBondContact O-N 2.95Å; I35-D38 PolarHBondContact O-N 3.22Å; I35-I39 WeakPolarHBondContact O-CG1 3.27Å; I35-I39 PolarHBondContact O-N 2.94Å
36E97Very high97Very high74 Ų7464.3 Ų64.335%0.34632%0.32SS..Hα-helixtrans-52.6-42.3-177.9-65.6176.2155.800112.7D38 I39 A40 V59 G60 R61E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.38Å; E36-I39 PolarHBondContact O-N 3.39Å; E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 3.05Å; E36-V59 HydrophobicContact CB-CB 4.31Å; E36-V59 HydrophobicContact CB-CG1 4.06Å; E36-V59 HydrophobicContact CG-CG1 4.21Å; E36-G60 WeakPolarHBondContact OE1-CA 3.46Å; E36-R61 PolarHBondContact OE1-N 3.4Å
37K97.6Very high97.1Very high155 Ų15564.5 Ų64.567%0.67432%0.321SS*.Hα-helixtrans-56.8-43.6175.5-174.1-167.768172.50112.5I35 A40 A41I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 HydrophobicContact CG2-CB 4.17Å; I35-K37 PolarHBondContact O-N 2.95Å; K37-A40 PolarHBondContact O-N 3.24Å; K37-A41 WeakPolarHBondContact O-CB 3.36Å; K37-A41 PolarHBondContact O-N 3.43Å
38D98.2Very high97.2Very high61 Ų6163.5 Ų63.533%0.32632%0.316SS..Hα-helixtrans-75.3-34.6-176.4-60.6-20.8000110.8C33 I35 E36 A41 Y42C33-D38 HydrophobicContact CB-CB 3.98Å; I35-D38 PolarHBondContact O-N 3.22Å; E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.38Å; D38-A41 PolarHBondContact O-N 2.93Å; D38-Y42 WeakPolarHBondContact O-CB 3.46Å; D38-Y42 PolarHBondContact O-N 3.08Å
39I98.3Very high97.3Very high10 Ų1065.8 Ų65.85%0.05133%0.325CS..Hα-helixtrans-60.3-50.2170.6-62.7166.4000109.8A29 M30 C33 I35 E36 A41 Y42 I43 V59A29-I39 HydrophobicContact CB-CB 4.47Å; A29-I39 HydrophobicContact CB-CG2 3.81Å; M30-I39 HydrophobicContact CG-CD1 4.18Å; M30-I39 HydrophobicContact CG-CG2 4.26Å; C33-I39 HydrophobicContact CB-CG1 3.65Å; I35-I39 WeakPolarHBondContact O-CG1 3.27Å; I35-I39 PolarHBondContact O-N 2.94Å; E36-I39 PolarHBondContact O-N 3.39Å; I39-A41 PolarHBondContact O-N 3.44Å; I39-Y42 WeakPolarHBondContact O-CB 3.35Å; I39-Y42 PolarHBondContact O-N 3.28Å; I39-I43 HydrophobicContact CG2-CD1 3.85Å; I39-I43 WeakPolarHBondContact O-CG1 3.5Å; I39-I43 PolarHBondContact O-N 2.8Å; I39-V59 HydrophobicContact CB-CG1 4.4Å; I39-V59 HydrophobicContact CB-CG2 4.48Å; I39-V59 HydrophobicContact CG2-CG1 4.17Å; I39-V59 HydrophobicContact CG2-CG2 4.03Å
40A98.7Very high97.3Very high12 Ų1271.3 Ų71.310%0.09935%0.35CS..Hα-helixtrans-59.6-4617900000111.8E36 K37 Y42 I43 K44 C57 V59E36-A40 WeakPolarHBondContact O-CB 3.46Å; E36-A40 PolarHBondContact O-N 3.05Å; K37-A40 PolarHBondContact O-N 3.24Å; A40-Y42 VanDerWaalsContact C-N 3.34Å; A40-Y42 PolarHBondContact O-N 2.95Å; A40-I43 PolarHBondContact O-N 2.85Å; A40-K44 VanDerWaalsContact O-CB 3.31Å; A40-K44 WeakPolarHBondContact O-CB 3.35Å; A40-K44 PolarHBondContact O-N 2.96Å; A40-C57 HydrophobicContact CB-CB 4.27Å; A40-C57 WeakPolarHBondContact O-CB 3.07Å; A40-V59 HydrophobicContact CB-CB 4.18Å; A40-V59 HydrophobicContact CB-CG2 3.67Å
41A98.6Very high97.4Very high55 Ų5573 Ų7346%0.45536%0.355SS..Hα-helixtrans-62.8-39.3177.900000112.3K37 D38 I39 R45K37-A41 WeakPolarHBondContact O-CB 3.36Å; K37-A41 PolarHBondContact O-N 3.43Å; D38-A41 PolarHBondContact O-N 2.93Å; I39-A41 PolarHBondContact O-N 3.44Å; A41-R45 VanDerWaalsContact O-CB 3.3Å; A41-R45 WeakPolarHBondContact O-CB 3.47Å; A41-R45 PolarHBondContact O-N 3.4Å
42Y98.7Very high97.5Very high30 Ų3071.2 Ų71.212%0.11835%0.35CS..Hα-helixtrans-61.5-53.5175.3-174.8-78.9000111K28 A29 K32 D38 I39 A40 K44 R45 E46K28-Y42 HydrophobicContact CB-CE1 4.43Å; A29-Y42 HydrophobicContact CB-CD1 3.54Å; A29-Y42 HydrophobicContact CB-CE1 4.22Å; A29-Y42 HydrophobicContact CB-CG 3.95Å; K32-Y42 HydrophobicContact CD-CE2 3.78Å; K32-Y42 PolarHBondContact NZ-OH 2.62Å; D38-Y42 WeakPolarHBondContact O-CB 3.46Å; D38-Y42 PolarHBondContact O-N 3.08Å; I39-Y42 WeakPolarHBondContact O-CB 3.35Å; I39-Y42 PolarHBondContact O-N 3.28Å; A40-Y42 VanDerWaalsContact C-N 3.34Å; A40-Y42 PolarHBondContact O-N 2.95Å; Y42-K44 PolarHBondContact O-N 3.48Å; Y42-R45 PolarHBondContact O-N 2.78Å; Y42-E46 HydrophobicContact CD1-CG 4.04Å; Y42-E46 HydrophobicContact CE1-CG 3.72Å; Y42-E46 WeakPolarHBondContact O-CG 3.45Å; Y42-E46 PolarHBondContact O-N 2.98Å
43I98.7Very high97.6Very high0 Ų068.2 Ų68.20%035%0.345CS..Hα-helixtrans-60.2-50-177.3-63.6166.4000110.2A26 A29 I39 A40 R45 E46 F47 V59 I84 L86A26-I43 HydrophobicContact CB-CD1 3.96Å; A29-I43 HydrophobicContact CB-CD1 4.31Å; A29-I43 HydrophobicContact CB-CG1 3.84Å; I39-I43 HydrophobicContact CG2-CD1 3.85Å; I39-I43 WeakPolarHBondContact O-CG1 3.5Å; I39-I43 PolarHBondContact O-N 2.8Å; A40-I43 PolarHBondContact O-N 2.85Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 2.84Å; I43-E46 PolarHBondContact O-N 3Å; I43-F47 HydrophobicContact CG2-CD2 4.17Å; I43-F47 WeakPolarHBondContact O-CB 3.21Å; I43-F47 PolarHBondContact O-N 2.96Å; I43-V59 HydrophobicContact CD1-CG2 4.47Å; I43-I84 HydrophobicContact CD1-CD1 4.06Å; I43-I84 HydrophobicContact CD1-CG2 4.08Å; I43-L86 HydrophobicContact CG2-CD1 3.94Å; I43-L86 HydrophobicContact CG2-CD2 3.83Å; I43-L86 HydrophobicContact CG2-CG 4.44Å
44K98.7Very high97.8Very high71 Ų7169.6 Ų69.631%0.30935%0.353SS..Hα-helixtrans-50.6-52.8175.7175.7-174.8-176.1-480111.3A40 Y42 E46 F47 D48 W55 C57A40-K44 VanDerWaalsContact O-CB 3.31Å; A40-K44 WeakPolarHBondContact O-CB 3.35Å; A40-K44 PolarHBondContact O-N 2.96Å; Y42-K44 PolarHBondContact O-N 3.48Å; K44-E46 VanDerWaalsContact C-N 3.35Å; K44-E46 PolarHBondContact O-N 3.01Å; K44-F47 PolarHBondContact O-N 3.45Å; K44-D48 IonicContact NZ-OD2 2.64Å; K44-D48 PolarHBondContact NZ-OD2 2.91Å; K44-D48 WeakPolarHBondContact O-CB 3.15Å; K44-D48 PolarHBondContact O-N 3.24Å; K44-W55 WeakPolarHBondContact CD-O 3.47Å; K44-W55 WeakPolarHBondContact CE-O 3.17Å; K44-W55 VanDerWaalsContact CG-O 3.3Å; K44-W55 WeakPolarHBondContact CG-O 3.38Å; K44-C57 HydrophobicContact CB-CB 4.13Å
45R98.6Very high98.1Very high133 Ų13364.1 Ų64.150%0.50231%0.314SS..Hα-helixtrans-62.8-41.1-175.5-176-177.170.3-172.2-4.8112.2A41 Y42 I43 K49A41-R45 VanDerWaalsContact O-CB 3.3Å; A41-R45 WeakPolarHBondContact O-CB 3.47Å; A41-R45 PolarHBondContact O-N 3.4Å; Y42-R45 PolarHBondContact O-N 2.78Å; I43-R45 VanDerWaalsContact C-N 3.33Å; I43-R45 PolarHBondContact O-N 2.84Å; R45-K49 VanDerWaalsContact O-CG 3.29Å; R45-K49 WeakPolarHBondContact O-CG 3.1Å; R45-K49 PolarHBondContact O-N 3.05Å
46E98.6Very high98.2Very high58 Ų5862.8 Ų62.827%0.27131%0.306SS..Hα-helixtrans-71.6-35.1179.4-63.3-54.6112.600111.6Y42 I43 K44 K49 K50Y42-E46 HydrophobicContact CD1-CG 4.04Å; Y42-E46 HydrophobicContact CE1-CG 3.72Å; Y42-E46 WeakPolarHBondContact O-CG 3.45Å; Y42-E46 PolarHBondContact O-N 2.98Å; I43-E46 PolarHBondContact O-N 3Å; K44-E46 VanDerWaalsContact C-N 3.35Å; K44-E46 PolarHBondContact O-N 3.01Å; E46-K49 PolarHBondContact O-N 3.25Å; E46-K49 IonicContact OE1-NZ 2.81Å; E46-K49 PolarHBondContact OE1-NZ 2.83Å; E46-K50 WeakPolarHBondContact O-CB 3.47Å; E46-K50 PolarHBondContact O-N 3.04Å
47F98.6Very high98.3Very high4 Ų460.3 Ų60.32%0.01830%0.296CS..Hα-helixtrans-70-40.1173.9-96.5-105.6000113.3M18 D21 A22 C25 I43 K44 K49 K50 W51 W55 L86M18-F47 HydrophobicContact CG-CE1 3.93Å; D21-F47 HydrophobicContact CB-CZ 4.05Å; A22-F47 HydrophobicContact CB-CE1 4.43Å; A22-F47 HydrophobicContact CB-CE2 4.17Å; A22-F47 HydrophobicContact CB-CZ 3.61Å; C25-F47 HydrophobicContact CB-CD2 4.46Å; C25-F47 HydrophobicContact CB-CE2 3.98Å; I43-F47 HydrophobicContact CG2-CD2 4.17Å; I43-F47 WeakPolarHBondContact O-CB 3.21Å; I43-F47 PolarHBondContact O-N 2.96Å; K44-F47 PolarHBondContact O-N 3.45Å; F47-K49 PolarHBondContact O-N 3.48Å; F47-K50 PolarHBondContact O-N 3.45Å; F47-W51 HydrophobicContact CD1-CB 4.41Å; F47-W51 AromaticContact CD1-CD1 3.58Å; F47-W51 HydrophobicContact CD1-CG 4.29Å; F47-W51 AromaticContact CE1-CD1 3.53Å; F47-W51 HydrophobicContact CE1-CG 4.4Å; F47-W51 AromaticContact CE1-NE1 4Å; F47-W51 WeakPolarHBondContact O-CA 3.32Å; F47-W51 WeakPolarHBondContact O-CB 3.46Å; F47-W51 PolarHBondContact O-N 3.03Å; F47-W55 HydrophobicContact CB-CB 4.16Å; F47-W55 HydrophobicContact CB-CD2 3.88Å; F47-W55 HydrophobicContact CB-CE3 4.44Å; F47-W55 HydrophobicContact CB-CG 3.72Å; F47-W55 AromaticContact CD1-CD2 3.79Å; F47-W55 HydrophobicContact CD1-CD2 3.79Å; F47-W55 AromaticContact CD1-CE2 3.76Å; F47-W55 AromaticContact CD1-CE3 3.84Å; F47-W55 HydrophobicContact CD1-CE3 3.84Å; F47-W55 AromaticContact CD1-CH2 3.85Å; F47-W55 HydrophobicContact CD1-CH2 3.85Å; F47-W55 AromaticContact CD1-CZ2 3.81Å; F47-W55 HydrophobicContact CD1-CZ2 3.81Å; F47-W55 AromaticContact CD1-CZ3 3.86Å; F47-W55 HydrophobicContact CD1-CZ3 3.86Å; F47-W55 HydrophobicContact CE1-CH2 4.13Å; F47-W55 HydrophobicContact CE1-CZ2 4.38Å; F47-W55 HydrophobicContact CE1-CZ3 4.27Å; F47-W55 HydrophobicContact CG-CD2 4.28Å; F47-W55 HydrophobicContact CG-CE3 4.48Å; F47-W55 PolarHBondContact O-NE1 3.46Å; F47-L86 HydrophobicContact CD1-CD2 3.69Å; F47-L86 HydrophobicContact CD1-CG 4.43Å; F47-L86 HydrophobicContact CD2-CD2 3.84Å; F47-L86 HydrophobicContact CE1-CD2 3.63Å; F47-L86 HydrophobicContact CE2-CD2 3.8Å; F47-L86 HydrophobicContact CG-CD1 4.43Å; F47-L86 HydrophobicContact CG-CD2 3.8Å; F47-L86 HydrophobicContact CZ-CD2 3.71Å
48D98.5Very high98.4Very high29 Ų2956 Ų5616%0.15528%0.28CS..Hα-helixtrans-56.4-40.9172-77.6-26.7000111.4K44 N52 P53 W55K44-D48 IonicContact NZ-OD2 2.64Å; K44-D48 PolarHBondContact NZ-OD2 2.91Å; K44-D48 WeakPolarHBondContact O-CB 3.15Å; K44-D48 PolarHBondContact O-N 3.24Å; D48-N52 CarbonylContact O-C 3.44Å; D48-N52 VanDerWaalsContact O-CA 3.31Å; D48-N52 WeakPolarHBondContact O-CA 3.45Å; D48-N52 PolarHBondContact O-N 2.94Å; D48-P53 HydrophobicContact CB-CB 4.29Å; D48-P53 WeakPolarHBondContact O-CD 3.49Å; D48-P53 WeakPolarHBondContact OD1-CA 3.49Å; D48-W55 WeakPolarHBondContact OD1-CB 3.36Å; D48-W55 PolarHBondContact OD1-N 2.95Å
49K98.3Very high98.4Very high133 Ų13353.9 Ų53.958%0.57827%0.269SS*.Hα-helixtrans-70-44.9178.3-70.5169.5-175.4170.60112.9R45 E46 F47R45-K49 VanDerWaalsContact O-CG 3.29Å; R45-K49 WeakPolarHBondContact O-CG 3.1Å; R45-K49 PolarHBondContact O-N 3.05Å; E46-K49 PolarHBondContact O-N 3.25Å; E46-K49 IonicContact OE1-NZ 2.81Å; E46-K49 PolarHBondContact OE1-NZ 2.83Å; F47-K49 PolarHBondContact O-N 3.48Å
50K98.4Very high98.3Very high117 Ų11753.7 Ų53.751%0.50927%0.27SS..Hα-helixtrans-83.8-39.1-172.3-171.6172.5-176.4-179.60112.9D21 E46 F47D21-K50 IonicContact OD1-NZ 2.78Å; D21-K50 PolarHBondContact OD1-NZ 2.91Å; D21-K50 WeakPolarHBondContact OD2-CD 3.35Å; D21-K50 WeakPolarHBondContact OD2-CE 3.43Å; D21-K50 IonicContact OD2-NZ 2.68Å; D21-K50 PolarHBondContact OD2-NZ 3.5Å; E46-K50 WeakPolarHBondContact O-CB 3.47Å; E46-K50 PolarHBondContact O-N 3.04Å; F47-K50 PolarHBondContact O-N 3.45Å
51W97.9Very high98.2Very high59 Ų5961.2 Ų61.222%0.22330%0.295CS..Hα-helixtrans-11819.1-168.5-65.9112.1000113.5M18 D21 F47 W55 K88M18-W51 HydrophobicContact CB-CZ2 4.07Å; M18-W51 HydrophobicContact CE-CB 4.41Å; M18-W51 HydrophobicContact CE-CD2 3.52Å; M18-W51 HydrophobicContact CE-CE3 3.35Å; M18-W51 HydrophobicContact CE-CG 4.01Å; M18-W51 HydrophobicContact CE-CH2 4.27Å; M18-W51 HydrophobicContact CE-CZ2 4.41Å; M18-W51 HydrophobicContact CE-CZ3 3.76Å; M18-W51 HydrophobicContact CG-CD2 4.24Å; M18-W51 HydrophobicContact CG-CG 4.48Å; M18-W51 HydrophobicContact CG-CZ2 4.23Å; D21-W51 WeakPolarHBondContact OD2-CZ2 3.31Å; D21-W51 PolarHBondContact OD2-NE1 3.44Å; F47-W51 HydrophobicContact CD1-CB 4.41Å; F47-W51 AromaticContact CD1-CD1 3.58Å; F47-W51 HydrophobicContact CD1-CG 4.29Å; F47-W51 AromaticContact CE1-CD1 3.53Å; F47-W51 HydrophobicContact CE1-CG 4.4Å; F47-W51 AromaticContact CE1-NE1 4Å; F47-W51 WeakPolarHBondContact O-CA 3.32Å; F47-W51 WeakPolarHBondContact O-CB 3.46Å; F47-W51 PolarHBondContact O-N 3.03Å; W51-W55 HydrophobicContact CB-CZ2 3.7Å; W51-W55 HydrophobicContact CG-CZ2 4.42Å; W51-W55 PolarHBondContact O-NE1 2.68Å; W51-K88 PolarHBondContact O-NZ 2.82Å
52N96.7Very high97.9Very high113 Ų11366.1 Ų66.160%0.60431%0.314SS*.  trans60.7140.1-176.2-58.8-55.5000113.9D48 W55 K88D48-N52 CarbonylContact O-C 3.44Å; D48-N52 VanDerWaalsContact O-CA 3.31Å; D48-N52 WeakPolarHBondContact O-CA 3.45Å; D48-N52 PolarHBondContact O-N 2.94Å; N52-W55 PolarHBondContact O-NE1 3.28Å; N52-K88 PolarHBondContact O-NZ 3Å
53P97.9Very high97.8Very high79 Ų7967 Ų6751%0.51332%0.319SS..SBendtrans-65.2163.2177.629.1-35.4000112.8D48 K88D48-P53 HydrophobicContact CB-CB 4.29Å; D48-P53 WeakPolarHBondContact O-CD 3.49Å; D48-P53 WeakPolarHBondContact OD1-CA 3.49Å; P53-K88 WeakPolarHBondContact O-CE 3.4Å; P53-K88 PolarHBondContact O-NZ 2.78Å
54T97.8Very high97.7Very high59 Ų5970.7 Ų70.736%0.36236%0.356SS..  cis-110.6112.55-550000112.2K88 S89T54-K88 WeakPolarHBondContact O-CA 3.4Å; T54-K88 WeakPolarHBondContact O-CG 3.13Å; T54-S89 PolarHBondContact O-N 2.64Å
55W98.7Very high97.5Very high0 Ų070.1 Ų70.10%036%0.361CS..EExtended strand (participates in β ladder)trans-86.2149.5173.7-7083.3000111.7M14 M18 K44 F47 D48 W51 N52 N73 L86 F87 K88M14-W55 HydrophobicContact CE-CH2 3.94Å; M14-W55 HydrophobicContact CE-CZ3 4Å; M18-W55 HydrophobicContact CE-CZ2 4.37Å; M18-W55 HydrophobicContact SD-CH2 3.61Å; M18-W55 HydrophobicContact SD-CZ2 4.03Å; K44-W55 WeakPolarHBondContact CD-O 3.47Å; K44-W55 WeakPolarHBondContact CE-O 3.17Å; K44-W55 VanDerWaalsContact CG-O 3.3Å; K44-W55 WeakPolarHBondContact CG-O 3.38Å; F47-W55 HydrophobicContact CB-CB 4.16Å; F47-W55 HydrophobicContact CB-CD2 3.88Å; F47-W55 HydrophobicContact CB-CE3 4.44Å; F47-W55 HydrophobicContact CB-CG 3.72Å; F47-W55 AromaticContact CD1-CD2 3.79Å; F47-W55 HydrophobicContact CD1-CD2 3.79Å; F47-W55 AromaticContact CD1-CE2 3.76Å; F47-W55 AromaticContact CD1-CE3 3.84Å; F47-W55 HydrophobicContact CD1-CE3 3.84Å; F47-W55 AromaticContact CD1-CH2 3.85Å; F47-W55 HydrophobicContact CD1-CH2 3.85Å; F47-W55 AromaticContact CD1-CZ2 3.81Å; F47-W55 HydrophobicContact CD1-CZ2 3.81Å; F47-W55 AromaticContact CD1-CZ3 3.86Å; F47-W55 HydrophobicContact CD1-CZ3 3.86Å; F47-W55 HydrophobicContact CE1-CH2 4.13Å; F47-W55 HydrophobicContact CE1-CZ2 4.38Å; F47-W55 HydrophobicContact CE1-CZ3 4.27Å; F47-W55 HydrophobicContact CG-CD2 4.28Å; F47-W55 HydrophobicContact CG-CE3 4.48Å; F47-W55 PolarHBondContact O-NE1 3.46Å; D48-W55 WeakPolarHBondContact OD1-CB 3.36Å; D48-W55 PolarHBondContact OD1-N 2.95Å; W51-W55 HydrophobicContact CB-CZ2 3.7Å; W51-W55 HydrophobicContact CG-CZ2 4.42Å; W51-W55 PolarHBondContact O-NE1 2.68Å; N52-W55 PolarHBondContact O-NE1 3.28Å; W55-N73 HydrophobicContact CH2-CB 3.89Å; W55-N73 HydrophobicContact CZ2-CB 4.32Å; W55-N73 HydrophobicContact CZ3-CB 4.46Å; W55-L86 HydrophobicContact CB-CD1 4.47Å; W55-L86 HydrophobicContact CE3-CD1 3.71Å; W55-L86 HydrophobicContact CE3-CD2 4.38Å; W55-L86 HydrophobicContact CE3-CG 3.69Å; W55-L86 HydrophobicContact CZ3-CD1 4.41Å; W55-L86 HydrophobicContact CZ3-CD2 4.38Å; W55-L86 HydrophobicContact CZ3-CG 3.88Å; W55-F87 CarbonylContact C-O 3.45Å; W55-K88 HydrophobicContact CD2-CB 4.1Å; W55-K88 HydrophobicContact CD2-CG 4.44Å; W55-K88 HydrophobicContact CE3-CB 4.19Å; W55-K88 HydrophobicContact CH2-CB 4.4Å; W55-K88 HydrophobicContact CZ2-CB 4.29Å; W55-K88 HydrophobicContact CZ2-CD 4.39Å; W55-K88 HydrophobicContact CZ3-CB 4.35Å
56H98.7Very high97.4Very high67 Ų6774.7 Ų74.731%0.3138%0.38SS..EExtended strand (participates in β ladder)trans-127.1138.3174.7-59.3-90.3000107.9L86 F87 S89H56-L86 WeakPolarHBondContact O-CA 3.37Å; H56-L86 WeakPolarHBondContact O-CD1 3.19Å; H56-F87 HydrophobicContact CB-CD1 4.09Å; H56-F87 HydrophobicContact CB-CD2 4.23Å; H56-F87 HydrophobicContact CB-CE1 3.62Å; H56-F87 HydrophobicContact CB-CE2 3.76Å; H56-F87 HydrophobicContact CB-CG 4.38Å; H56-F87 HydrophobicContact CB-CZ 3.44Å; H56-F87 VanDerWaalsContact CB-CZ 3.44Å; H56-F87 AromaticContact CD2-CE2 3.91Å; H56-F87 AromaticContact CG-CE2 3.96Å; H56-F87 AromaticContact CG-CZ 3.97Å; H56-F87 PolarHBondContact N-O 2.85Å; H56-F87 PolarHBondContact O-N 3.28Å; H56-S89 PolarHBondContact NE2-O 2.99Å
57C98.7Very high97.2Very high22 Ų2274.2 Ų74.215%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-133.3131.9-179.1-168.20000109.8A40 K44 L85 L86A40-C57 HydrophobicContact CB-CB 4.27Å; A40-C57 WeakPolarHBondContact O-CB 3.07Å; K44-C57 HydrophobicContact CB-CB 4.13Å; C57-L85 CarbonylContact C-O 3.6Å; C57-L85 VanDerWaalsContact CA-O 3.32Å; C57-L85 WeakPolarHBondContact CA-O 3.42Å; C57-L86 HydrophobicContact CB-CD1 4Å
58I98.5Very high97.1Very high65 Ų6579.6 Ų79.633%0.33342%0.415SS..EExtended strand (participates in β ladder)trans-118.1133.1171.3-51.7-177.4000107.4F63 I84 L85I58-F63 HydrophobicContact CG2-CD1 4.37Å; I58-F63 HydrophobicContact CG2-CD2 4.26Å; I58-F63 HydrophobicContact CG2-CE1 4.27Å; I58-F63 HydrophobicContact CG2-CE2 4.18Å; I58-F63 HydrophobicContact CG2-CG 4.35Å; I58-F63 HydrophobicContact CG2-CZ 4.18Å; I58-I84 WeakPolarHBondContact O-CA 3.44Å; I58-L85 HydrophobicContact CB-CB 4.21Å; I58-L85 HydrophobicContact CD1-CD2 4.08Å; I58-L85 PolarHBondContact N-O 2.97Å; I58-L85 PolarHBondContact O-N 3.5Å
59V98.5Very high97.1Very high15 Ų1581.1 Ų81.19%0.09142%0.421CS..EExtended strand (participates in β ladder)trans-129.9131.4177.7179.70000107.5E36 I39 A40 I43 I82 A83 I84E36-V59 HydrophobicContact CB-CB 4.31Å; E36-V59 HydrophobicContact CB-CG1 4.06Å; E36-V59 HydrophobicContact CG-CG1 4.21Å; I39-V59 HydrophobicContact CB-CG1 4.4Å; I39-V59 HydrophobicContact CB-CG2 4.48Å; I39-V59 HydrophobicContact CG2-CG1 4.17Å; I39-V59 HydrophobicContact CG2-CG2 4.03Å; A40-V59 HydrophobicContact CB-CB 4.18Å; A40-V59 HydrophobicContact CB-CG2 3.67Å; I43-V59 HydrophobicContact CD1-CG2 4.47Å; V59-I82 HydrophobicContact CG1-CG2 3.43Å; V59-I82 VanDerWaalsContact CG1-CG2 3.43Å; V59-A83 WeakPolarHBondContact CA-O 3.31Å; V59-I84 HydrophobicContact CG1-CG1 4.49Å; V59-I84 HydrophobicContact CG2-CG1 4.26Å; V59-I84 HydrophobicContact CG2-CG2 4.38Å
60G97.6Very high97.1Very high6 Ų677.8 Ų77.86%0.06241%0.407CS..EExtended strand (participates in β ladder)trans-175.3161.4-179.800000113.4E36 A83E36-G60 WeakPolarHBondContact OE1-CA 3.46Å; G60-A83 PolarHBondContact N-O 3.3Å; G60-A83 WeakPolarHBondContact O-CB 3.5Å; G60-A83 PolarHBondContact O-N 2.8Å
61R95.4Very high97Very high170 Ų17077.4 Ų77.464%0.64242%0.415SS*.SBendtrans-80.8-28.3172.5-69.1176.7-171.2-165.31.9113.6E36 I82E36-R61 PolarHBondContact OE1-N 3.4Å; R61-I82 HydrophobicContact CG-CD1 3.53Å
62N93.3Very high97Very high158 Ų15881.6 Ų81.685%0.84543%0.434SS*.SBendtrans-150.3109.8-177.2-172.110.2000110.4
63F96.5Very high97.1Very high49 Ų4977.5 Ų77.522%0.21541%0.413CS..  trans-154.8152.5173.165-91.4000110.8I58 Y76 A83 L85I58-F63 HydrophobicContact CG2-CD1 4.37Å; I58-F63 HydrophobicContact CG2-CD2 4.26Å; I58-F63 HydrophobicContact CG2-CE1 4.27Å; I58-F63 HydrophobicContact CG2-CE2 4.18Å; I58-F63 HydrophobicContact CG2-CG 4.35Å; I58-F63 HydrophobicContact CG2-CZ 4.18Å; F63-Y76 HydrophobicContact CE2-CE2 4.18Å; F63-Y76 AromaticContact CZ-CE2 3.83Å; F63-Y76 HydrophobicContact CZ-CE2 3.83Å; F63-A83 HydrophobicContact CD1-CB 4.37Å; F63-A83 HydrophobicContact CE1-CB 3.46Å; F63-A83 VanDerWaalsContact CE1-CB 3.46Å; F63-A83 HydrophobicContact CZ-CB 3.89Å; F63-L85 HydrophobicContact CE2-CB 4.02Å; F63-L85 HydrophobicContact CE2-CD2 4.32Å; F63-L85 HydrophobicContact CZ-CB 3.97Å
64G95.5Very high97.1Very high77 Ų7774.8 Ų74.879%0.79439%0.393SS*.  trans-110.214916100000109.2
65S94.8Very high97.1Very high59 Ų5972 Ų7241%0.41338%0.376SS..  trans-139.7141.2179.863.80000111L85S65-L85 VanDerWaalsContact OG-CD2 3.27Å; S65-L85 WeakPolarHBondContact OG-CD2 3.09Å
66Y96Very high97.1Very high230 Ų23074.3 Ų74.390%0.90239%0.385SS*.  trans-128101.6166.6-166.5-78.5000107.2
67V95.8Very high97.1Very high47 Ų4771.1 Ų71.129%0.28537%0.37SS..  trans-128.2144.6-173.8-61.10000110.2F74 L85 F87V67-F74 HydrophobicContact CG2-CE2 4.27Å; V67-L85 HydrophobicContact CG2-CD2 4.32Å; V67-F87 HydrophobicContact CB-CE1 4.36Å; V67-F87 HydrophobicContact CB-CE2 4.04Å; V67-F87 HydrophobicContact CB-CZ 3.93Å; V67-F87 HydrophobicContact CG1-CE1 4.14Å; V67-F87 HydrophobicContact CG1-CE2 4.41Å; V67-F87 HydrophobicContact CG1-CZ 3.82Å; V67-F87 HydrophobicContact CG2-CD1 4.18Å; V67-F87 HydrophobicContact CG2-CD2 4.28Å; V67-F87 HydrophobicContact CG2-CE1 4.12Å; V67-F87 HydrophobicContact CG2-CE2 4.22Å; V67-F87 HydrophobicContact CG2-CG 4.25Å; V67-F87 HydrophobicContact CG2-CZ 4.13Å
68T96.8Very high97Very high118 Ų11873.2 Ų73.272%0.72438%0.375SS*.  trans-91.4140.8165.9-55.40000108.3
69H97.3Very high96.9Very high60 Ų6070.1 Ų70.128%0.27836%0.36SS..  trans-140.9159.6179.861.978.1000110.9D13 F74 F87 K88D13-H69 IonicContact OD2-CE1 3.87Å; H69-F74 HydrophobicContact CB-CD2 4.42Å; H69-F74 AromaticContact CD2-CD2 3.21Å; H69-F74 WeakPolarHBondContact CD2-CD2 3.49Å; H69-F74 AromaticContact CD2-CE2 3.91Å; H69-F74 AromaticContact CD2-CG 3.69Å; H69-F74 VanDerWaalsContact CE1-CB 3.47Å; H69-F74 WeakPolarHBondContact CE1-CB 3.46Å; H69-F74 AromaticContact CE1-CG 3.92Å; H69-F74 AromaticContact CG-CD2 3.79Å; H69-F74 AromaticContact NE2-CD2 3.54Å; H69-F74 AromaticContact NE2-CG 3.55Å; H69-F87 HydrophobicContact CB-CB 3.92Å; H69-F87 HydrophobicContact CB-CD2 3.93Å; H69-F87 HydrophobicContact CB-CG 4.34Å; H69-K88 CarbonylContact C-O 3.53Å; H69-K88 VanDerWaalsContact CA-O 3.27Å; H69-K88 WeakPolarHBondContact CA-O 3.47Å; H69-K88 WeakPolarHBondContact CB-O 3.4Å
70E97.6Very high96.6Very high64 Ų6471.4 Ų71.430%0.29938%0.375SS..  trans-63.3144.2168.5-67.8170.7-134.700110.4N73 K88 G90E70-N73 HydrophobicContact CB-CB 4.44Å; E70-N73 PolarHBondContact O-N 2.94Å; E70-K88 PolarHBondContact N-O 2.86Å; E70-K88 WeakPolarHBondContact OE1-CE 3.27Å; E70-K88 WeakPolarHBondContact OE1-CG 3.36Å; E70-K88 VanDerWaalsContact OE2-CD 3.32Å; E70-K88 WeakPolarHBondContact OE2-CD 3.48Å; E70-K88 WeakPolarHBondContact OE2-CE 3.24Å; E70-G90 PolarHBondContact OE1-N 2.77Å
71T96.8Very high96.4Very high109 Ų10978.2 Ų78.267%0.66941%0.406SS*.THydrogen-bonded Turntrans-61.3144.5177.5-42.10000110.3N73T71-N73 PolarHBondContact O-N 3.43Å; T71-N73 PolarHBondContact O-ND2 2.84Å
72K97.7Very high96.4Very high146 Ų14671 Ų7164%0.63538%0.38SS*.THydrogen-bonded Turntrans63.618.4179.7-52.8-175.5178.5177.50115.3D13 M14D13-K72 VanDerWaalsContact CG-N 3.34Å; D13-K72 CarbonylContact O-C 3.55Å; D13-K72 WeakPolarHBondContact O-CA 3.42Å; D13-K72 PolarHBondContact OD1-N 2.9Å; D13-K72 PolarHBondContact OD2-N 3.28Å; M14-K72 WeakPolarHBondContact CA-O 3.4Å; M14-K72 WeakPolarHBondContact CB-O 3.32Å
73N98.3Very high96.6Very high28 Ų2863.6 Ų63.615%0.1534%0.34CS..  trans-134.746.2179.9-64.3-84.4000112.4D13 W55 E70 T71 F87 K88D13-N73 PolarHBondContact O-N 2.94Å; W55-N73 HydrophobicContact CH2-CB 3.89Å; W55-N73 HydrophobicContact CZ2-CB 4.32Å; W55-N73 HydrophobicContact CZ3-CB 4.46Å; E70-N73 HydrophobicContact CB-CB 4.44Å; E70-N73 PolarHBondContact O-N 2.94Å; T71-N73 PolarHBondContact O-N 3.43Å; T71-N73 PolarHBondContact O-ND2 2.84Å; N73-F87 CarbonylContact O-C 3.59Å; N73-F87 VanDerWaalsContact O-CA 3.24Å; N73-F87 WeakPolarHBondContact O-CA 3.32Å; N73-K88 HydrophobicContact CB-CB 3.45Å; N73-K88 VanDerWaalsContact CB-CB 3.45Å; N73-K88 HydrophobicContact CB-CD 4.28Å; N73-K88 HydrophobicContact CB-CG 4.5Å; N73-K88 PolarHBondContact O-N 2.96Å
74F98.5Very high96.7Very high22 Ų2261.2 Ų61.210%0.09633%0.33CS..EExtended strand (participates in β ladder)trans-138.8135-179.9174.4-83.1000112.8N11 A12 D13 M14 V67 H69 L85 F87N11-F74 HydrophobicContact CB-CE1 4.18Å; A12-F74 CarbonylContact C-O 2.86Å; A12-F74 WeakPolarHBondContact CA-O 3.25Å; D13-F74 CarbonylContact C-O 3.57Å; D13-F74 HydrophobicContact CB-CB 4.36Å; D13-F74 PolarHBondContact N-O 2.82Å; D13-F74 PolarHBondContact O-N 3.35Å; M14-F74 VanDerWaalsContact CE-C 3.5Å; V67-F74 HydrophobicContact CG2-CE2 4.27Å; H69-F74 HydrophobicContact CB-CD2 4.42Å; H69-F74 AromaticContact CD2-CD2 3.21Å; H69-F74 WeakPolarHBondContact CD2-CD2 3.49Å; H69-F74 AromaticContact CD2-CE2 3.91Å; H69-F74 AromaticContact CD2-CG 3.69Å; H69-F74 VanDerWaalsContact CE1-CB 3.47Å; H69-F74 WeakPolarHBondContact CE1-CB 3.46Å; H69-F74 AromaticContact CE1-CG 3.92Å; H69-F74 AromaticContact CG-CD2 3.79Å; H69-F74 AromaticContact NE2-CD2 3.54Å; H69-F74 AromaticContact NE2-CG 3.55Å; F74-L85 HydrophobicContact CD2-CD1 4.37Å; F74-L85 HydrophobicContact CE1-CD1 4.43Å; F74-L85 HydrophobicContact CE2-CD1 3.43Å; F74-L85 VanDerWaalsContact CE2-CD1 3.43Å; F74-L85 HydrophobicContact CE2-CG 4.46Å; F74-L85 HydrophobicContact CZ-CD1 3.45Å; F74-L85 VanDerWaalsContact CZ-CD1 3.45Å; F74-F87 HydrophobicContact CB-CB 4.47Å; F74-F87 HydrophobicContact CD2-CB 3.71Å; F74-F87 HydrophobicContact CE2-CB 4.49Å
75I98.7Very high96.9Very high0 Ų057.6 Ų57.60%029%0.292CS..EExtended strand (participates in β ladder)trans-147.1139.3171.4-167179.8000111.3I9 A12 M14 Q19 A22 F77 L86I9-I75 HydrophobicContact CD1-CD1 4.47Å; I9-I75 HydrophobicContact CG2-CG1 4.42Å; A12-I75 HydrophobicContact CB-CG1 4.02Å; M14-I75 HydrophobicContact CE-CB 3.75Å; M14-I75 HydrophobicContact CE-CG2 3.64Å; M14-I75 HydrophobicContact CG-CB 4.37Å; M14-I75 HydrophobicContact SD-CB 3.72Å; M14-I75 HydrophobicContact SD-CD1 4.25Å; M14-I75 HydrophobicContact SD-CG1 4.47Å; M14-I75 HydrophobicContact SD-CG2 3.88Å; Q19-I75 HydrophobicContact CB-CD1 4.04Å; Q19-I75 HydrophobicContact CG-CD1 3.91Å; A22-I75 HydrophobicContact CB-CD1 4.25Å; A22-I75 HydrophobicContact CB-CG2 4.12Å; I75-F77 HydrophobicContact CD1-CD1 3.82Å; I75-F77 HydrophobicContact CD1-CE1 4.25Å; I75-F77 HydrophobicContact CD1-CG 4.47Å; I75-F77 HydrophobicContact CG1-CD1 3.86Å; I75-F77 HydrophobicContact CG2-CD1 4.15Å; I75-F77 HydrophobicContact CG2-CE1 4.07Å; I75-L86 HydrophobicContact CG2-CB 3.83Å; I75-L86 HydrophobicContact CG2-CD2 4.3Å; I75-L86 HydrophobicContact CG2-CG 4.43Å; I75-L86 PolarHBondContact N-O 3.27Å; I75-L86 PolarHBondContact O-N 2.81Å
76Y98.6Very high97.1Very high49 Ų4954.8 Ų54.819%0.19227%0.273CS..EExtended strand (participates in β ladder)trans-128118.4172.2178.4-128.4000109.6K10 N11 F63 Y78 A83 I84 L85K10-Y76 HydrophobicContact CB-CD1 3.46Å; K10-Y76 VanDerWaalsContact CB-CD1 3.46Å; K10-Y76 HydrophobicContact CB-CE1 3.78Å; K10-Y76 HydrophobicContact CB-CG 4.34Å; K10-Y76 HydrophobicContact CG-CD1 4.17Å; K10-Y76 HydrophobicContact CG-CE1 4.02Å; K10-Y76 PolarHBondContact N-O 3.22Å; N11-Y76 PolarHBondContact N-O 2.84Å; N11-Y76 VanDerWaalsContact N-O 3.09Å; N11-Y76 PolarHBondContact O-N 3.24Å; F63-Y76 HydrophobicContact CE2-CE2 4.18Å; F63-Y76 AromaticContact CZ-CE2 3.83Å; F63-Y76 HydrophobicContact CZ-CE2 3.83Å; Y76-Y78 HydrophobicContact CE1-CE2 4.2Å; Y76-Y78 HydrophobicContact CE2-CE2 4.46Å; Y76-Y78 AromaticContact CZ-CE2 3.76Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.32Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.3Å; Y76-Y78 PolarHBondContact OH-OH 2.84Å; Y76-Y78 VanDerWaalsContact OH-OH 3.07Å; Y76-A83 HydrophobicContact CE2-CB 3.92Å; Y76-I84 WeakPolarHBondContact CA-O 3.29Å; Y76-I84 WeakPolarHBondContact CD2-O 3.03Å; Y76-L85 HydrophobicContact CD2-CB 4.13Å; Y76-L85 HydrophobicContact CD2-CD1 4.01Å; Y76-L85 HydrophobicContact CG-CD1 4.2Å
77F98.3Very high97.2Very high0 Ų044.7 Ų44.70%023%0.233CC..EExtended strand (participates in β ladder)trans-148161.1-175.966.5-78.5000112.3T7 V8 I9 A22 I23 A26 I75 V79 I84T7-F77 HydrophobicContact CG2-CD2 3.97Å; V8-F77 CarbonylContact O-C 3.54Å; V8-F77 VanDerWaalsContact O-CA 3.29Å; V8-F77 WeakPolarHBondContact O-CA 3.48Å; V8-F77 WeakPolarHBondContact O-CB 3.29Å; I9-F77 HydrophobicContact CB-CB 4.44Å; I9-F77 HydrophobicContact CG1-CB 4.19Å; A22-F77 HydrophobicContact CB-CE1 4.18Å; A22-F77 HydrophobicContact CB-CZ 4.38Å; I23-F77 HydrophobicContact CG1-CD2 4.23Å; I23-F77 HydrophobicContact CG1-CE2 4.08Å; A26-F77 HydrophobicContact CB-CE2 3.86Å; A26-F77 HydrophobicContact CB-CZ 3.76Å; I75-F77 HydrophobicContact CD1-CD1 3.82Å; I75-F77 HydrophobicContact CD1-CE1 4.25Å; I75-F77 HydrophobicContact CD1-CG 4.47Å; I75-F77 HydrophobicContact CG1-CD1 3.86Å; I75-F77 HydrophobicContact CG2-CD1 4.15Å; I75-F77 HydrophobicContact CG2-CE1 4.07Å; F77-V79 HydrophobicContact CD2-CG2 3.87Å; F77-V79 HydrophobicContact CE2-CG2 3.64Å; F77-I84 HydrophobicContact CD1-CB 4.3Å; F77-I84 HydrophobicContact CE1-CB 3.91Å; F77-I84 HydrophobicContact CE1-CG2 3.78Å; F77-I84 HydrophobicContact CE2-CB 4.26Å; F77-I84 HydrophobicContact CE2-CD1 3.95Å; F77-I84 HydrophobicContact CZ-CB 3.9Å; F77-I84 HydrophobicContact CZ-CD1 3.98Å; F77-I84 HydrophobicContact CZ-CG1 4.49Å; F77-I84 HydrophobicContact CZ-CG2 3.86Å; F77-I84 PolarHBondContact N-O 3.06Å; F77-I84 PolarHBondContact O-N 3.31Å
78Y97.3Very high97.4Very high65 Ų6543.5 Ų43.526%0.25522%0.224SC..EExtended strand (participates in β ladder)trans-108.4141.1174-79.7-100.3000110.5T7 V8 K10 Y76 I82 A83T7-Y78 CarbonylContact C-O 3.55Å; T7-Y78 VanDerWaalsContact CA-O 3.25Å; T7-Y78 WeakPolarHBondContact CA-O 3.47Å; V8-Y78 PolarHBondContact N-O 2.88Å; V8-Y78 PolarHBondContact O-N 3.19Å; K10-Y78 HydrophobicContact CG-CD2 3.75Å; K10-Y78 HydrophobicContact CG-CE2 3.93Å; Y76-Y78 HydrophobicContact CE1-CE2 4.2Å; Y76-Y78 HydrophobicContact CE2-CE2 4.46Å; Y76-Y78 AromaticContact CZ-CE2 3.76Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.32Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.3Å; Y76-Y78 PolarHBondContact OH-OH 2.84Å; Y76-Y78 VanDerWaalsContact OH-OH 3.07Å; Y78-I82 CarbonylContact C-O 3.54Å; Y78-I82 VanDerWaalsContact CA-O 3.32Å; Y78-I82 WeakPolarHBondContact CA-O 3.3Å; Y78-A83 HydrophobicContact CD1-CB 4.04Å; Y78-A83 HydrophobicContact CD2-CB 4.49Å; Y78-A83 HydrophobicContact CE1-CB 3.63Å; Y78-A83 HydrophobicContact CE2-CB 4.12Å; Y78-A83 HydrophobicContact CG-CB 4.46Å
79V95.7Very high97.3Very high1 Ų140.1 Ų40.11%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-118.9101.2164.1-177.30000107.6R5 T7 M30 F77 Q81 I82 I84R5-V79 HydrophobicContact CB-CG1 3.53Å; R5-V79 HydrophobicContact CG-CG1 4.41Å; T7-V79 HydrophobicContact CG2-CG2 4.41Å; M30-V79 HydrophobicContact CE-CG1 4.47Å; M30-V79 HydrophobicContact SD-CB 3.8Å; M30-V79 HydrophobicContact SD-CG1 3.58Å; M30-V79 VanDerWaalsContact SD-CG1 3.58Å; M30-V79 HydrophobicContact SD-CG2 4.5Å; F77-V79 HydrophobicContact CD2-CG2 3.87Å; F77-V79 HydrophobicContact CE2-CG2 3.64Å; V79-Q81 PolarHBondContact O-N 3.45Å; V79-I82 PolarHBondContact N-O 3.36Å; V79-I82 PolarHBondContact O-N 3.48Å; V79-I84 HydrophobicContact CG2-CD1 4.24Å
80G92.9Very high97Very high41 Ų4142.8 Ų42.842%0.42325%0.249SC..THydrogen-bonded Turntrans60.6-118.2-166.900000111.3A6A6-G80 PolarHBondContact O-N 3.38Å
81Q92.7Very high96.9Very high150 Ų15041.7 Ų41.770%0.70125%0.247SC*.THydrogen-bonded Turntrans-95.9-0.4179.5-63.3-175-300114V79V79-Q81 PolarHBondContact O-N 3.45Å
82I95.9Very high96.9Very high19 Ų1938.2 Ų38.210%0.09722%0.224CC..EExtended strand (participates in β ladder)trans-97.4121.6-178.3-59.1-61.6000108.8M30 V59 R61 Y78 V79 I84M30-I82 HydrophobicContact CE-CB 4.02Å; M30-I82 HydrophobicContact CE-CG1 3.7Å; V59-I82 HydrophobicContact CG1-CG2 3.43Å; V59-I82 VanDerWaalsContact CG1-CG2 3.43Å; R61-I82 HydrophobicContact CG-CD1 3.53Å; Y78-I82 CarbonylContact C-O 3.54Å; Y78-I82 VanDerWaalsContact CA-O 3.32Å; Y78-I82 WeakPolarHBondContact CA-O 3.3Å; V79-I82 PolarHBondContact N-O 3.36Å; V79-I82 PolarHBondContact O-N 3.48Å; I82-I84 HydrophobicContact CG2-CG1 4.28Å
83A97.8Very high96.9Very high1 Ų132.2 Ų32.21%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-85139.6169.700000110.4V59 G60 F63 Y76 Y78V59-A83 WeakPolarHBondContact CA-O 3.31Å; G60-A83 PolarHBondContact N-O 3.3Å; G60-A83 WeakPolarHBondContact O-CB 3.5Å; G60-A83 PolarHBondContact O-N 2.8Å; F63-A83 HydrophobicContact CD1-CB 4.37Å; F63-A83 HydrophobicContact CE1-CB 3.46Å; F63-A83 VanDerWaalsContact CE1-CB 3.46Å; F63-A83 HydrophobicContact CZ-CB 3.89Å; Y76-A83 HydrophobicContact CE2-CB 3.92Å; Y78-A83 HydrophobicContact CD1-CB 4.04Å; Y78-A83 HydrophobicContact CD2-CB 4.49Å; Y78-A83 HydrophobicContact CE1-CB 3.63Å; Y78-A83 HydrophobicContact CE2-CB 4.12Å; Y78-A83 HydrophobicContact CG-CB 4.46Å
84I98.6Very high96.8Very high0 Ų032.4 Ų32.40%021%0.205CC..EExtended strand (participates in β ladder)trans-128.4121.4177.2-55.8179.9000107.7A26 I43 I58 V59 Y76 F77 V79 I82A26-I84 HydrophobicContact CB-CD1 3.42Å; A26-I84 VanDerWaalsContact CB-CD1 3.42Å; I43-I84 HydrophobicContact CD1-CD1 4.06Å; I43-I84 HydrophobicContact CD1-CG2 4.08Å; I58-I84 WeakPolarHBondContact O-CA 3.44Å; V59-I84 HydrophobicContact CG1-CG1 4.49Å; V59-I84 HydrophobicContact CG2-CG1 4.26Å; V59-I84 HydrophobicContact CG2-CG2 4.38Å; Y76-I84 WeakPolarHBondContact CA-O 3.29Å; Y76-I84 WeakPolarHBondContact CD2-O 3.03Å; F77-I84 HydrophobicContact CD1-CB 4.3Å; F77-I84 HydrophobicContact CE1-CB 3.91Å; F77-I84 HydrophobicContact CE1-CG2 3.78Å; F77-I84 HydrophobicContact CE2-CB 4.26Å; F77-I84 HydrophobicContact CE2-CD1 3.95Å; F77-I84 HydrophobicContact CZ-CB 3.9Å; F77-I84 HydrophobicContact CZ-CD1 3.98Å; F77-I84 HydrophobicContact CZ-CG1 4.49Å; F77-I84 HydrophobicContact CZ-CG2 3.86Å; F77-I84 PolarHBondContact N-O 3.06Å; F77-I84 PolarHBondContact O-N 3.31Å; V79-I84 HydrophobicContact CG2-CD1 4.24Å; I82-I84 HydrophobicContact CG2-CG1 4.28Å
85L98.7Very high96.7Very high1 Ų133.1 Ų33.11%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-111.5118.8171.1-179.369.4000108C57 I58 F63 S65 V67 F74 Y76 F87C57-L85 CarbonylContact C-O 3.6Å; C57-L85 VanDerWaalsContact CA-O 3.32Å; C57-L85 WeakPolarHBondContact CA-O 3.42Å; I58-L85 HydrophobicContact CB-CB 4.21Å; I58-L85 HydrophobicContact CD1-CD2 4.08Å; I58-L85 PolarHBondContact N-O 2.97Å; I58-L85 PolarHBondContact O-N 3.5Å; F63-L85 HydrophobicContact CE2-CB 4.02Å; F63-L85 HydrophobicContact CE2-CD2 4.32Å; F63-L85 HydrophobicContact CZ-CB 3.97Å; S65-L85 VanDerWaalsContact OG-CD2 3.27Å; S65-L85 WeakPolarHBondContact OG-CD2 3.09Å; V67-L85 HydrophobicContact CG2-CD2 4.32Å; F74-L85 HydrophobicContact CD2-CD1 4.37Å; F74-L85 HydrophobicContact CE1-CD1 4.43Å; F74-L85 HydrophobicContact CE2-CD1 3.43Å; F74-L85 VanDerWaalsContact CE2-CD1 3.43Å; F74-L85 HydrophobicContact CE2-CG 4.46Å; F74-L85 HydrophobicContact CZ-CD1 3.45Å; F74-L85 VanDerWaalsContact CZ-CD1 3.45Å; Y76-L85 HydrophobicContact CD2-CB 4.13Å; Y76-L85 HydrophobicContact CD2-CD1 4.01Å; Y76-L85 HydrophobicContact CG-CD1 4.2Å; L85-F87 HydrophobicContact CD2-CD1 4.27Å; L85-F87 HydrophobicContact CD2-CE1 4.28Å; L85-F87 HydrophobicContact CG-CD1 4.08Å
86L98.8Very high96.6Very high0 Ų035.3 Ų35.30%023%0.225CC..EExtended strand (participates in β ladder)trans-127.5122.1-178.4177.266.1000108.7A22 I43 F47 W55 H56 C57 I75A22-L86 HydrophobicContact CB-CD2 4.03Å; I43-L86 HydrophobicContact CG2-CD1 3.94Å; I43-L86 HydrophobicContact CG2-CD2 3.83Å; I43-L86 HydrophobicContact CG2-CG 4.44Å; F47-L86 HydrophobicContact CD1-CD2 3.69Å; F47-L86 HydrophobicContact CD1-CG 4.43Å; F47-L86 HydrophobicContact CD2-CD2 3.84Å; F47-L86 HydrophobicContact CE1-CD2 3.63Å; F47-L86 HydrophobicContact CE2-CD2 3.8Å; F47-L86 HydrophobicContact CG-CD1 4.43Å; F47-L86 HydrophobicContact CG-CD2 3.8Å; F47-L86 HydrophobicContact CZ-CD2 3.71Å; W55-L86 HydrophobicContact CB-CD1 4.47Å; W55-L86 HydrophobicContact CE3-CD1 3.71Å; W55-L86 HydrophobicContact CE3-CD2 4.38Å; W55-L86 HydrophobicContact CE3-CG 3.69Å; W55-L86 HydrophobicContact CZ3-CD1 4.41Å; W55-L86 HydrophobicContact CZ3-CD2 4.38Å; W55-L86 HydrophobicContact CZ3-CG 3.88Å; H56-L86 WeakPolarHBondContact O-CA 3.37Å; H56-L86 WeakPolarHBondContact O-CD1 3.19Å; C57-L86 HydrophobicContact CB-CD1 4Å; I75-L86 HydrophobicContact CG2-CB 3.83Å; I75-L86 HydrophobicContact CG2-CD2 4.3Å; I75-L86 HydrophobicContact CG2-CG 4.43Å; I75-L86 PolarHBondContact N-O 3.27Å; I75-L86 PolarHBondContact O-N 2.81Å
87F98.7Very high96.4Very high17 Ų1734.3 Ų34.38%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-148.8153.1-176.267.4-82.2000111.8W55 H56 V67 H69 N73 F74 L85W55-F87 CarbonylContact C-O 3.45Å; H56-F87 HydrophobicContact CB-CD1 4.09Å; H56-F87 HydrophobicContact CB-CD2 4.23Å; H56-F87 HydrophobicContact CB-CE1 3.62Å; H56-F87 HydrophobicContact CB-CE2 3.76Å; H56-F87 HydrophobicContact CB-CG 4.38Å; H56-F87 HydrophobicContact CB-CZ 3.44Å; H56-F87 VanDerWaalsContact CB-CZ 3.44Å; H56-F87 AromaticContact CD2-CE2 3.91Å; H56-F87 AromaticContact CG-CE2 3.96Å; H56-F87 AromaticContact CG-CZ 3.97Å; H56-F87 PolarHBondContact N-O 2.85Å; H56-F87 PolarHBondContact O-N 3.28Å; V67-F87 HydrophobicContact CB-CE1 4.36Å; V67-F87 HydrophobicContact CB-CE2 4.04Å; V67-F87 HydrophobicContact CB-CZ 3.93Å; V67-F87 HydrophobicContact CG1-CE1 4.14Å; V67-F87 HydrophobicContact CG1-CE2 4.41Å; V67-F87 HydrophobicContact CG1-CZ 3.82Å; V67-F87 HydrophobicContact CG2-CD1 4.18Å; V67-F87 HydrophobicContact CG2-CD2 4.28Å; V67-F87 HydrophobicContact CG2-CE1 4.12Å; V67-F87 HydrophobicContact CG2-CE2 4.22Å; V67-F87 HydrophobicContact CG2-CG 4.25Å; V67-F87 HydrophobicContact CG2-CZ 4.13Å; H69-F87 HydrophobicContact CB-CB 3.92Å; H69-F87 HydrophobicContact CB-CD2 3.93Å; H69-F87 HydrophobicContact CB-CG 4.34Å; N73-F87 CarbonylContact O-C 3.59Å; N73-F87 VanDerWaalsContact O-CA 3.24Å; N73-F87 WeakPolarHBondContact O-CA 3.32Å; F74-F87 HydrophobicContact CB-CB 4.47Å; F74-F87 HydrophobicContact CD2-CB 3.71Å; F74-F87 HydrophobicContact CE2-CB 4.49Å; L85-F87 HydrophobicContact CD2-CD1 4.27Å; L85-F87 HydrophobicContact CD2-CE1 4.28Å; L85-F87 HydrophobicContact CG-CD1 4.08Å
88K98.6Very high96.3Very high22 Ų2236.9 Ų36.910%0.09625%0.245CC..EExtended strand (participates in β ladder)trans-100.7135.9175.4-164.5-178.6167.5144.50111W51 N52 P53 T54 W55 H69 E70 N73W51-K88 PolarHBondContact O-NZ 2.82Å; N52-K88 PolarHBondContact O-NZ 3Å; P53-K88 WeakPolarHBondContact O-CE 3.4Å; P53-K88 PolarHBondContact O-NZ 2.78Å; T54-K88 WeakPolarHBondContact O-CA 3.4Å; T54-K88 WeakPolarHBondContact O-CG 3.13Å; W55-K88 HydrophobicContact CD2-CB 4.1Å; W55-K88 HydrophobicContact CD2-CG 4.44Å; W55-K88 HydrophobicContact CE3-CB 4.19Å; W55-K88 HydrophobicContact CH2-CB 4.4Å; W55-K88 HydrophobicContact CZ2-CB 4.29Å; W55-K88 HydrophobicContact CZ2-CD 4.39Å; W55-K88 HydrophobicContact CZ3-CB 4.35Å; H69-K88 CarbonylContact C-O 3.53Å; H69-K88 VanDerWaalsContact CA-O 3.27Å; H69-K88 WeakPolarHBondContact CA-O 3.47Å; H69-K88 WeakPolarHBondContact CB-O 3.4Å; E70-K88 PolarHBondContact N-O 2.86Å; E70-K88 WeakPolarHBondContact OE1-CE 3.27Å; E70-K88 WeakPolarHBondContact OE1-CG 3.36Å; E70-K88 VanDerWaalsContact OE2-CD 3.32Å; E70-K88 WeakPolarHBondContact OE2-CD 3.48Å; E70-K88 WeakPolarHBondContact OE2-CE 3.24Å; N73-K88 HydrophobicContact CB-CB 3.45Å; N73-K88 VanDerWaalsContact CB-CB 3.45Å; N73-K88 HydrophobicContact CB-CD 4.28Å; N73-K88 HydrophobicContact CB-CG 4.5Å; N73-K88 PolarHBondContact O-N 2.96Å
89S96.7Very high96.2Very high47 Ų4734.6 Ų34.633%0.32925%0.245SC..  trans-157.9117.3174.1179.50000109.2T54 H56T54-S89 PolarHBondContact O-N 2.64Å; H56-S89 PolarHBondContact NE2-O 2.99Å
90G89.3Confident96.2Very high116 Ų11637.6 Ų37.6100%1.19627%0.266SS*.  trans-173.30174.400000113E70E70-G90 PolarHBondContact OE1-N 2.77Å

Retrieved 90 of 90 residues in 505.8 ms (Link to these results)

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