G4V849_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession G4V849, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M61.8Low91.3Very high186 Ų18681.3 Ų81.392%0.91646%0.464SS*.  0134.60-74.515617700107.7T36M1-T36 HydrophobicContact SD-CG2 4.25Å
2S79.2Confident91.8Very high92 Ų9280.3 Ų80.364%0.64346%0.461SS*.PPolyproline II helixtrans-60.9147.6169.938.30000109.5V4S2-V4 PolarHBondContact O-N 2.98Å
3S91Very high92.2Very high90 Ų9085.2 Ų85.263%0.62947%0.467SS*.PPolyproline II helixtrans-64.6122.1176.4-56.40000110.4K5 N33S3-K5 PolarHBondContact O-N 3.5Å; S3-N33 WeakPolarHBondContact CA-OD1 3.2Å
4V93.9Very high92.6Very high6 Ų682.2 Ų82.24%0.03646%0.455CS..PPolyproline II helixtrans-60131.4174.8176.50000109.8S2 E8 I9 Q29 M32 N33 V81S2-V4 PolarHBondContact O-N 2.98Å; V4-E8 WeakPolarHBondContact CA-OE2 3.33Å; V4-E8 HydrophobicContact CG1-CB 4.44Å; V4-I9 HydrophobicContact CG1-CD1 4.47Å; V4-I9 HydrophobicContact CG1-CG1 4.2Å; V4-Q29 HydrophobicContact CG1-CG 4.47Å; V4-Q29 WeakPolarHBondContact O-CG 3.47Å; V4-Q29 PolarHBondContact O-NE2 3.02Å; V4-M32 HydrophobicContact CB-CB 4.3Å; V4-M32 HydrophobicContact CG2-CB 3.88Å; V4-N33 PolarHBondContact N-OD1 2.84Å; V4-N33 PolarHBondContact O-ND2 2.87Å; V4-N33 VanDerWaalsContact O-ND2 3.16Å; V4-V81 HydrophobicContact CG1-CG2 3.67Å; V4-V81 HydrophobicContact CG2-CG2 4.24Å
5K96Very high92.9Very high133 Ų13385 Ų8558%0.57846%0.457SS*.PPolyproline II helixtrans-96.6151173.1-61.9178.2-175.7173.40110S3 S7 E8 Q29S3-K5 PolarHBondContact O-N 3.5Å; K5-S7 PolarHBondContact O-N 3.21Å; K5-S7 VanDerWaalsContact O-N 3.14Å; K5-E8 HydrophobicContact CB-CG 4.31Å; K5-E8 WeakPolarHBondContact CB-OE2 3.39Å; K5-E8 PolarHBondContact N-OE2 3.16Å; K5-E8 WeakPolarHBondContact O-CB 3.39Å; K5-E8 PolarHBondContact O-N 3.33Å; K5-Q29 VanDerWaalsContact CA-NE2 3.32Å
6L95.5Very high93.1Very high70 Ų7080.6 Ų80.637%0.36643%0.432SS..G310 helixtrans-56.4-30.7174.5-76.1169.6000113.1E8 I9 M25 K26 Q29L6-E8 PolarHBondContact O-N 2.83Å; L6-I9 HydrophobicContact CD2-CD1 4.39Å; L6-I9 PolarHBondContact O-N 2.72Å; L6-M25 HydrophobicContact CD2-CB 4.01Å; L6-K26 HydrophobicContact CD1-CG 4.48Å; L6-K26 HydrophobicContact CD2-CG 4.35Å; L6-Q29 HydrophobicContact CD2-CB 4.18Å
7S96Very high93.3Very high103 Ų10387.8 Ų87.872%0.7245%0.452SS*.G310 helixtrans-66.9-18.1176.654.90000113.9K5K5-S7 PolarHBondContact O-N 3.21Å; K5-S7 VanDerWaalsContact O-N 3.14Å
8E96.8Very high93.5Very high91 Ų9188.6 Ų88.643%0.42546%0.457SS..G310 helixtrans-90.8-6.3178.3-62.2170.7125.200111.8V4 K5 L6V4-E8 WeakPolarHBondContact CA-OE2 3.33Å; V4-E8 HydrophobicContact CG1-CB 4.44Å; K5-E8 HydrophobicContact CB-CG 4.31Å; K5-E8 WeakPolarHBondContact CB-OE2 3.39Å; K5-E8 PolarHBondContact N-OE2 3.16Å; K5-E8 WeakPolarHBondContact O-CB 3.39Å; K5-E8 PolarHBondContact O-N 3.33Å; L6-E8 PolarHBondContact O-N 2.83Å
9I98.1Very high93.7Very high10 Ų1091.8 Ų91.85%0.05147%0.47CS..EExtended strand (participates in β ladder)trans-94.7115174.9-57.4175.2000108.6V4 L6 M25 L28 Q29 L79 R80 V81V4-I9 HydrophobicContact CG1-CD1 4.47Å; V4-I9 HydrophobicContact CG1-CG1 4.2Å; L6-I9 HydrophobicContact CD2-CD1 4.39Å; L6-I9 PolarHBondContact O-N 2.72Å; I9-M25 HydrophobicContact CB-CE 4.01Å; I9-M25 WeakPolarHBondContact CD1-O 3.46Å; I9-M25 HydrophobicContact CG2-CE 3.99Å; I9-M25 HydrophobicContact CG2-CG 4.27Å; I9-M25 WeakPolarHBondContact O-CE 3.38Å; I9-L28 HydrophobicContact CD1-CB 4.29Å; I9-L28 HydrophobicContact CD1-CD2 4.13Å; I9-L28 HydrophobicContact CD1-CG 4.06Å; I9-L28 HydrophobicContact CG1-CD2 4.44Å; I9-L28 HydrophobicContact CG2-CD2 3.88Å; I9-Q29 HydrophobicContact CD1-CB 3.87Å; I9-L79 HydrophobicContact CG2-CB 4.22Å; I9-L79 HydrophobicContact CG2-CD1 4.28Å; I9-L79 HydrophobicContact CG2-CD2 4.1Å; I9-L79 HydrophobicContact CG2-CG 4.43Å; I9-R80 WeakPolarHBondContact CA-O 3.18Å; I9-V81 HydrophobicContact CG1-CB 4.29Å; I9-V81 HydrophobicContact CG1-CG2 4.2Å
10S97.8Very high93.9Very high58 Ų5888.8 Ų88.841%0.40645%0.454SS..EExtended strand (participates in β ladder)trans-101.6144.8176.257.80000111.1L79 R80S10-L79 CarbonylContact O-C 3.57Å; S10-L79 WeakPolarHBondContact O-CA 3.48Å; S10-R80 PolarHBondContact N-O 3.49Å; S10-R80 PolarHBondContact O-N 3.08Å; S10-R80 WeakPolarHBondContact OG-CB 3.49Å; S10-R80 PolarHBondContact OG-O 2.8Å
11V98.1Very high94.1Very high55 Ų5587.5 Ų87.533%0.33345%0.446SS..EExtended strand (participates in β ladder)trans-96.3113.2178.8178.40000107.8C14 M25 L79V11-C14 HydrophobicContact CG1-CB 3.6Å; V11-M25 HydrophobicContact CG2-CE 4.47Å; V11-M25 HydrophobicContact CG2-SD 4Å; V11-L79 HydrophobicContact CB-CD2 4.3Å; V11-L79 HydrophobicContact CG2-CD2 3.7Å
12V97.2Very high95.8Very high70 Ų7085.1 Ų85.142%0.42443%0.426SS..EExtended strand (participates in β ladder)trans-84.8-45.8179.1-175.50000110.2L78 R80 L85V12-L78 HydrophobicContact CB-CB 4.26Å; V12-L78 HydrophobicContact CB-CD2 3.89Å; V12-L78 HydrophobicContact CB-CG 3.87Å; V12-L78 WeakPolarHBondContact CB-O 3.47Å; V12-L78 HydrophobicContact CG1-CD2 3.72Å; V12-L78 HydrophobicContact CG1-CG 4.28Å; V12-L78 HydrophobicContact CG2-CG 4.34Å; V12-L78 PolarHBondContact N-O 3.23Å; V12-R80 HydrophobicContact CG2-CB 3.86Å; V12-L85 HydrophobicContact CG2-CD2 4.32Å
13R97.1Very high96.7Very high144 Ų14482.2 Ų82.254%0.54340%0.403SS..EExtended strand (participates in β ladder)trans-144.1144173.9-62.7-178.9-178.7172.51.1109.1Y15 I77 L78R13-Y15 HydrophobicContact CB-CE2 4.48Å; R13-I77 WeakPolarHBondContact O-CA 3.4Å; R13-I77 WeakPolarHBondContact O-CG1 3.44Å; R13-L78 HydrophobicContact CB-CB 4.13Å; R13-L78 PolarHBondContact N-O 3.08Å; R13-L78 PolarHBondContact O-N 2.99Å
14C97.8Very high97.1Very high43 Ų4378 Ų7829%0.29137%0.374SS..EExtended strand (participates in β ladder)trans-150123.8177.7-176.90000110.1V11 M16 I77V11-C14 HydrophobicContact CG1-CB 3.6Å; C14-M16 PolarHBondContact SG-N 3.14Å; C14-I77 HydrophobicContact CB-CD1 4.34Å; C14-I77 HydrophobicContact CB-CG1 4.06Å
15Y97Very high97.3Very high124 Ų12479.1 Ų79.149%0.48638%0.38SS..  trans-109-1.3171-58.4-81.3000111.3R13 F71 S74 C76R13-Y15 HydrophobicContact CB-CE2 4.48Å; Y15-F71 AromaticContact CD2-CE2 3.99Å; Y15-F71 HydrophobicContact CD2-CE2 3.99Å; Y15-F71 AromaticContact CD2-CZ 3.71Å; Y15-F71 HydrophobicContact CD2-CZ 3.71Å; Y15-F71 HydrophobicContact CE2-CE2 4.49Å; Y15-F71 AromaticContact CE2-CZ 3.78Å; Y15-F71 HydrophobicContact CE2-CZ 3.78Å; Y15-F71 HydrophobicContact CG-CE2 4.16Å; Y15-F71 HydrophobicContact CG-CZ 4.24Å; Y15-S74 CarbonylContact O-C 3.58Å; Y15-S74 WeakPolarHBondContact O-CA 3.46Å; Y15-C76 HydrophobicContact CD2-CB 3.99Å; Y15-C76 PolarHBondContact N-O 3.21Å
16M96.8Very high97.4Very high14 Ų1478.7 Ų78.77%0.06938%0.378CS..SBendtrans-80.2156-179.6-60.5176.2176.800113.4C14 M20 W57 S74 I77 L88C14-M16 PolarHBondContact SG-N 3.14Å; M16-M20 HydrophobicContact CB-CB 4.29Å; M16-M20 HydrophobicContact CB-CG 4.36Å; M16-M20 HydrophobicContact CB-SD 4.27Å; M16-M20 HydrophobicContact CE-SD 4.35Å; M16-M20 HydrophobicContact CG-CG 4.32Å; M16-M20 HydrophobicContact CG-SD 3.92Å; M16-M20 HydrophobicContact SD-CG 3.78Å; M16-M20 HydrophobicContact SD-SD 3.9Å; M16-W57 HydrophobicContact CE-CH2 3.66Å; M16-W57 HydrophobicContact CE-CZ3 3.44Å; M16-W57 VanDerWaalsContact CE-CZ3 3.44Å; M16-S74 VanDerWaalsContact CA-O 3.32Å; M16-S74 WeakPolarHBondContact CA-O 3.44Å; M16-I77 HydrophobicContact CE-CB 3.88Å; M16-I77 HydrophobicContact CE-CG2 3.5Å; M16-I77 VanDerWaalsContact CE-CG2 3.5Å; M16-I77 HydrophobicContact CG-CB 4.43Å; M16-I77 HydrophobicContact SD-CB 3.77Å; M16-I77 HydrophobicContact SD-CD1 4.48Å; M16-I77 HydrophobicContact SD-CG2 3.69Å; M16-L88 HydrophobicContact CE-CD2 4.33Å; M16-L88 HydrophobicContact CE-CG 4.38Å
17R96.4Very high97.5Very high204 Ų20475.7 Ų75.777%0.7736%0.362SS*.  trans-64.7153.2166-63-177.7-175.5171.22.1110.5E19 M20 K21R17-E19 PolarHBondContact O-N 3.2Å; R17-E19 VanDerWaalsContact O-N 3.13Å; R17-M20 PolarHBondContact O-N 3.31Å; R17-M20 VanDerWaalsContact O-N 3.12Å; R17-K21 WeakPolarHBondContact O-CB 3.41Å; R17-K21 PolarHBondContact O-N 2.7Å
18D97Very high97.7Very high101 Ų10170.8 Ų70.854%0.5433%0.328SS..Hα-helixtrans-56.3-34.4-174.4-80.4-28.2000114.6R22D18-R22 WeakPolarHBondContact O-CB 3.38Å; D18-R22 VanDerWaalsContact O-CG 3.32Å; D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 2.71Å
19E97.1Very high97.7Very high150 Ų15068.8 Ų68.870%0.70132%0.318SS*.Hα-helixtrans-64.8-51.8176.7-175.4177.4-173.600112R17 K21 R22 D23R17-E19 PolarHBondContact O-N 3.2Å; R17-E19 VanDerWaalsContact O-N 3.13Å; E19-K21 VanDerWaalsContact C-N 3.34Å; E19-K21 PolarHBondContact O-N 2.94Å; E19-R22 PolarHBondContact O-N 3.31Å; E19-D23 PolarHBondContact O-N 3.09Å
20M97.8Very high97.7Very high32 Ų3274.3 Ų74.316%0.15834%0.342CS..Hα-helixtrans-65.7-37.4178.4-174.8-177.5-72.100111.6M16 R17 R22 D23 A24 F49 H53 W57M16-M20 HydrophobicContact CB-CB 4.29Å; M16-M20 HydrophobicContact CB-CG 4.36Å; M16-M20 HydrophobicContact CB-SD 4.27Å; M16-M20 HydrophobicContact CE-SD 4.35Å; M16-M20 HydrophobicContact CG-CG 4.32Å; M16-M20 HydrophobicContact CG-SD 3.92Å; M16-M20 HydrophobicContact SD-CG 3.78Å; M16-M20 HydrophobicContact SD-SD 3.9Å; R17-M20 PolarHBondContact O-N 3.31Å; R17-M20 VanDerWaalsContact O-N 3.12Å; M20-R22 PolarHBondContact O-N 3.28Å; M20-D23 PolarHBondContact O-N 3.46Å; M20-A24 WeakPolarHBondContact O-CB 3.35Å; M20-A24 PolarHBondContact O-N 3.43Å; M20-F49 HydrophobicContact CG-CE1 3.94Å; M20-H53 HydrophobicContact CE-CB 4.42Å; M20-W57 HydrophobicContact CE-CZ2 4.4Å; M20-W57 HydrophobicContact SD-CH2 3.75Å; M20-W57 HydrophobicContact SD-CZ2 4.11Å
21K98.2Very high97.7Very high62 Ų6271.6 Ų71.627%0.2732%0.323SS..Hα-helixtrans-57.4-47.7171.2172.3-172.1166.6-175.40111.6R17 E19 D23 A24 M25 I77R17-K21 WeakPolarHBondContact O-CB 3.41Å; R17-K21 PolarHBondContact O-N 2.7Å; E19-K21 VanDerWaalsContact C-N 3.34Å; E19-K21 PolarHBondContact O-N 2.94Å; K21-D23 VanDerWaalsContact C-N 3.3Å; K21-D23 PolarHBondContact O-N 2.9Å; K21-A24 PolarHBondContact O-N 3.05Å; K21-M25 HydrophobicContact CG-SD 4.47Å; K21-M25 WeakPolarHBondContact O-CG 3.49Å; K21-M25 PolarHBondContact O-N 2.89Å; K21-I77 HydrophobicContact CB-CD1 4.38Å; K21-I77 HydrophobicContact CG-CD1 3.95Å
22R97.8Very high97.7Very high135 Ų13570.2 Ų70.251%0.50931%0.313SS..Hα-helixtrans-62.5-39177.1-76.9-174.9-63-97.92.4111.6D18 E19 M20 M25 K26D18-R22 WeakPolarHBondContact O-CB 3.38Å; D18-R22 VanDerWaalsContact O-CG 3.32Å; D18-R22 WeakPolarHBondContact O-CG 3.43Å; D18-R22 PolarHBondContact O-N 2.71Å; E19-R22 PolarHBondContact O-N 3.31Å; M20-R22 PolarHBondContact O-N 3.28Å; R22-M25 PolarHBondContact O-N 3.22Å; R22-K26 WeakPolarHBondContact O-CG 3.33Å; R22-K26 PolarHBondContact O-N 2.87Å
23D98.1Very high97.6Very high31 Ų3170.2 Ų70.217%0.16631%0.311CS..Hα-helixtrans-65.4-43.8177.2-162.227.2000111.8E19 M20 K21 M25 K26 I27 Y48 H53E19-D23 PolarHBondContact O-N 3.09Å; M20-D23 PolarHBondContact O-N 3.46Å; K21-D23 VanDerWaalsContact C-N 3.3Å; K21-D23 PolarHBondContact O-N 2.9Å; D23-M25 VanDerWaalsContact C-N 3.35Å; D23-M25 PolarHBondContact O-N 3.23Å; D23-K26 PolarHBondContact O-N 3.28Å; D23-I27 PolarHBondContact O-N 3.39Å; D23-Y48 PolarHBondContact OD1-OH 2.84Å; D23-Y48 WeakPolarHBondContact OD2-CE1 3.48Å; D23-Y48 PolarHBondContact OD2-OH 2.85Å; D23-H53 IonicContact OD2-CD2 3.83Å; D23-H53 IonicContact OD2-CE1 3.6Å; D23-H53 IonicContact OD2-NE2 2.76Å; D23-H53 PolarHBondContact OD2-NE2 2.98Å
24A98.5Very high97.6Very high2 Ų271.1 Ų71.12%0.01731%0.314CS..Hα-helixtrans-56.7-45.2173.200000112.4M20 K21 I27 L28 F49 I77 L88M20-A24 WeakPolarHBondContact O-CB 3.35Å; M20-A24 PolarHBondContact O-N 3.43Å; K21-A24 PolarHBondContact O-N 3.05Å; A24-I27 WeakPolarHBondContact O-CG2 3.38Å; A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 PolarHBondContact O-N 3.49Å; A24-F49 HydrophobicContact CB-CE2 4.2Å; A24-F49 HydrophobicContact CB-CZ 3.72Å; A24-I77 HydrophobicContact CB-CD1 4.32Å; A24-I77 HydrophobicContact CB-CG2 4.13Å; A24-L88 HydrophobicContact CB-CD2 4.19Å
25M98.4Very high97.6Very high30 Ų3070.7 Ų70.715%0.14831%0.307CS..Hα-helixtrans-66.6-40.9177.8-67.2178.973.100112.4L6 I9 V11 K21 R22 D23 L28 Q29 L79L6-M25 HydrophobicContact CD2-CB 4.01Å; I9-M25 HydrophobicContact CB-CE 4.01Å; I9-M25 WeakPolarHBondContact CD1-O 3.46Å; I9-M25 HydrophobicContact CG2-CE 3.99Å; I9-M25 HydrophobicContact CG2-CG 4.27Å; I9-M25 WeakPolarHBondContact O-CE 3.38Å; V11-M25 HydrophobicContact CG2-CE 4.47Å; V11-M25 HydrophobicContact CG2-SD 4Å; K21-M25 HydrophobicContact CG-SD 4.47Å; K21-M25 WeakPolarHBondContact O-CG 3.49Å; K21-M25 PolarHBondContact O-N 2.89Å; R22-M25 PolarHBondContact O-N 3.22Å; D23-M25 VanDerWaalsContact C-N 3.35Å; D23-M25 PolarHBondContact O-N 3.23Å; M25-L28 PolarHBondContact O-N 3.19Å; M25-Q29 WeakPolarHBondContact O-CB 3.47Å; M25-Q29 PolarHBondContact O-N 2.99Å; M25-L79 HydrophobicContact CG-CD1 4.31Å; M25-L79 HydrophobicContact CG-CD2 4.12Å
26K98.2Very high97.4Very high124 Ų12469.3 Ų69.354%0.53931%0.312SS..Hα-helixtrans-65.8-44.3177.8-75.5178.6-177.8-178.90112.1L6 R22 D23 L28 Q29 K30L6-K26 HydrophobicContact CD1-CG 4.48Å; L6-K26 HydrophobicContact CD2-CG 4.35Å; R22-K26 WeakPolarHBondContact O-CG 3.33Å; R22-K26 PolarHBondContact O-N 2.87Å; D23-K26 PolarHBondContact O-N 3.28Å; K26-L28 VanDerWaalsContact C-N 3.33Å; K26-Q29 PolarHBondContact O-N 3.38Å; K26-K30 PolarHBondContact O-N 3.46Å
27I98.5Very high97.3Very high6 Ų674 Ų743%0.03133%0.334CS..Hα-helixtrans-68.2-37179-161.967.7000111.2D23 A24 K30 A31 F44 I45 Y48 F49D23-I27 PolarHBondContact O-N 3.39Å; A24-I27 WeakPolarHBondContact O-CG2 3.38Å; I27-K30 HydrophobicContact CD1-CD 4.41Å; I27-K30 PolarHBondContact O-N 3.01Å; I27-A31 WeakPolarHBondContact O-CB 3.32Å; I27-A31 PolarHBondContact O-N 3Å; I27-F44 HydrophobicContact CD1-CD1 4.23Å; I27-F44 HydrophobicContact CD1-CE1 3.36Å; I27-F44 HydrophobicContact CD1-CZ 3.82Å; I27-F44 HydrophobicContact CG1-CD1 4.17Å; I27-F44 HydrophobicContact CG1-CE1 3.74Å; I27-I45 HydrophobicContact CG2-CG1 4.29Å; I27-I45 HydrophobicContact CG2-CG2 4.02Å; I27-Y48 HydrophobicContact CB-CD1 3.95Å; I27-Y48 HydrophobicContact CB-CE1 4.12Å; I27-Y48 HydrophobicContact CB-CG 4.44Å; I27-Y48 HydrophobicContact CD1-CD1 3.87Å; I27-Y48 HydrophobicContact CD1-CD2 3.57Å; I27-Y48 HydrophobicContact CD1-CE1 4.24Å; I27-Y48 HydrophobicContact CD1-CE2 3.97Å; I27-Y48 HydrophobicContact CD1-CG 3.5Å; I27-Y48 HydrophobicContact CG1-CD1 3.64Å; I27-Y48 HydrophobicContact CG1-CD2 4.24Å; I27-Y48 HydrophobicContact CG1-CE1 4.2Å; I27-Y48 HydrophobicContact CG1-CG 3.64Å; I27-Y48 HydrophobicContact CG2-CD1 4.21Å; I27-F49 HydrophobicContact CG2-CD2 4.18Å; I27-F49 HydrophobicContact CG2-CE2 3.66Å
28L98.5Very high97.3Very high1 Ų167.5 Ų67.51%0.00531%0.312CS..Hα-helixtrans-60.6-48.4173.8174.257.9000110.7I9 A24 M25 K26 K30 A31 M32 V41 I45 L79 V81 V86I9-L28 HydrophobicContact CD1-CB 4.29Å; I9-L28 HydrophobicContact CD1-CD2 4.13Å; I9-L28 HydrophobicContact CD1-CG 4.06Å; I9-L28 HydrophobicContact CG1-CD2 4.44Å; I9-L28 HydrophobicContact CG2-CD2 3.88Å; A24-L28 WeakPolarHBondContact O-CB 3.39Å; A24-L28 PolarHBondContact O-N 3.49Å; M25-L28 PolarHBondContact O-N 3.19Å; K26-L28 VanDerWaalsContact C-N 3.33Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.03Å; L28-A31 WeakPolarHBondContact O-CB 3.4Å; L28-A31 PolarHBondContact O-N 2.89Å; L28-A31 VanDerWaalsContact O-N 3.09Å; L28-M32 HydrophobicContact CD1-CG 3.71Å; L28-M32 HydrophobicContact CD1-SD 4.1Å; L28-M32 HydrophobicContact CG-CG 4.24Å; L28-M32 WeakPolarHBondContact O-CG 3.44Å; L28-M32 PolarHBondContact O-N 3.26Å; L28-V41 HydrophobicContact CD1-CG1 4.31Å; L28-I45 HydrophobicContact CB-CD1 4.27Å; L28-I45 HydrophobicContact CD1-CD1 3.7Å; L28-L79 HydrophobicContact CB-CD1 4.37Å; L28-L79 HydrophobicContact CD2-CB 3.79Å; L28-L79 HydrophobicContact CD2-CD1 3.58Å; L28-L79 HydrophobicContact CD2-CG 4.32Å; L28-V81 HydrophobicContact CD1-CG1 4.33Å; L28-V81 HydrophobicContact CD2-CG1 4.16Å; L28-V81 HydrophobicContact CG-CG1 4.5Å; L28-V86 HydrophobicContact CD1-CB 4.4Å; L28-V86 HydrophobicContact CD1-CG1 4.35Å; L28-V86 HydrophobicContact CD1-CG2 3.74Å; L28-V86 HydrophobicContact CD2-CB 4.33Å; L28-V86 HydrophobicContact CD2-CG2 4.17Å
29Q98.1Very high97.4Very high48 Ų4872.4 Ų72.422%0.22432%0.323CS..Hα-helixtrans-55.4-46.2176.3-169.4-166.426.800111.6V4 K5 L6 I9 M25 K26 A31 M32 N33V4-Q29 HydrophobicContact CG1-CG 4.47Å; V4-Q29 WeakPolarHBondContact O-CG 3.47Å; V4-Q29 PolarHBondContact O-NE2 3.02Å; K5-Q29 VanDerWaalsContact CA-NE2 3.32Å; L6-Q29 HydrophobicContact CD2-CB 4.18Å; I9-Q29 HydrophobicContact CD1-CB 3.87Å; M25-Q29 WeakPolarHBondContact O-CB 3.47Å; M25-Q29 PolarHBondContact O-N 2.99Å; K26-Q29 PolarHBondContact O-N 3.38Å; Q29-A31 VanDerWaalsContact C-N 3.32Å; Q29-A31 PolarHBondContact O-N 3.33Å; Q29-M32 PolarHBondContact O-N 2.98Å; Q29-N33 WeakPolarHBondContact O-CB 3.49Å; Q29-N33 VanDerWaalsContact O-CG 3.28Å; Q29-N33 PolarHBondContact O-N 3.48Å; Q29-N33 VanDerWaalsContact O-N 3.08Å; Q29-N33 PolarHBondContact O-ND2 3.32Å
30K97.7Very high97.4Very high127 Ų12769.2 Ų69.255%0.55231%0.308SS*.Hα-helixtrans-62.9-39177.7-174.4175180-179.90112K26 I27 L28 R34 F44K26-K30 PolarHBondContact O-N 3.46Å; I27-K30 HydrophobicContact CD1-CD 4.41Å; I27-K30 PolarHBondContact O-N 3.01Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.03Å; K30-R34 WeakPolarHBondContact O-CB 3.5Å; K30-R34 PolarHBondContact O-N 2.85Å; K30-F44 HydrophobicContact CB-CE1 4.44Å; K30-F44 HydrophobicContact CD-CE1 4.4Å; K30-F44 HydrophobicContact CD-CZ 4.02Å; K30-F44 HydrophobicContact CG-CE1 4.26Å; K30-F44 HydrophobicContact CG-CZ 4.17Å
31A98.1Very high97.5Very high0 Ų067.9 Ų67.90%030%0.302CS..Hα-helixtrans-65.7-50.2178.100000111.5I27 L28 Q29 N33 R34 F35 V41 F44 I45I27-A31 WeakPolarHBondContact O-CB 3.32Å; I27-A31 PolarHBondContact O-N 3Å; L28-A31 WeakPolarHBondContact O-CB 3.4Å; L28-A31 PolarHBondContact O-N 2.89Å; L28-A31 VanDerWaalsContact O-N 3.09Å; Q29-A31 VanDerWaalsContact C-N 3.32Å; Q29-A31 PolarHBondContact O-N 3.33Å; A31-N33 PolarHBondContact O-N 2.88Å; A31-R34 PolarHBondContact O-N 2.85Å; A31-F35 WeakPolarHBondContact O-CD2 3.48Å; A31-F35 PolarHBondContact O-N 3.03Å; A31-V41 HydrophobicContact CB-CG1 3.88Å; A31-F44 HydrophobicContact CB-CD1 3.61Å; A31-F44 HydrophobicContact CB-CE1 4.11Å; A31-I45 HydrophobicContact CB-CD1 4.23Å; A31-I45 HydrophobicContact CB-CG1 3.99Å
32M96.7Very high97.5Very high27 Ų2765.7 Ų65.713%0.13330%0.295CS..Hα-helixtrans-62.9-29.6179.5-64.3-58.7-66.300112.8V4 L28 Q29 R34 V41 V81 F84V4-M32 HydrophobicContact CB-CB 4.3Å; V4-M32 HydrophobicContact CG2-CB 3.88Å; L28-M32 HydrophobicContact CD1-CG 3.71Å; L28-M32 HydrophobicContact CD1-SD 4.1Å; L28-M32 HydrophobicContact CG-CG 4.24Å; L28-M32 WeakPolarHBondContact O-CG 3.44Å; L28-M32 PolarHBondContact O-N 3.26Å; Q29-M32 PolarHBondContact O-N 2.98Å; M32-R34 VanDerWaalsContact C-N 3.31Å; M32-V41 HydrophobicContact SD-CG1 4.04Å; M32-V41 HydrophobicContact SD-CG2 4.21Å; M32-V81 HydrophobicContact CE-CG1 3.91Å; M32-V81 HydrophobicContact CE-CG2 4.43Å; M32-V81 HydrophobicContact CG-CG1 4.06Å; M32-V81 HydrophobicContact CG-CG2 4.37Å; M32-V81 HydrophobicContact SD-CG1 4Å; M32-F84 HydrophobicContact CE-CD2 3.98Å; M32-F84 HydrophobicContact CE-CE2 4.4Å
33N96.6Very high97.5Very high70 Ų7062.2 Ų62.237%0.37429%0.291SS..THydrogen-bonded Turntrans-80.7-10.7175.5-72.9-25.1000113.9S3 V4 Q29 A31S3-N33 WeakPolarHBondContact CA-OD1 3.2Å; V4-N33 PolarHBondContact N-OD1 2.84Å; V4-N33 PolarHBondContact O-ND2 2.87Å; V4-N33 VanDerWaalsContact O-ND2 3.16Å; Q29-N33 WeakPolarHBondContact O-CB 3.49Å; Q29-N33 VanDerWaalsContact O-CG 3.28Å; Q29-N33 PolarHBondContact O-N 3.48Å; Q29-N33 VanDerWaalsContact O-N 3.08Å; Q29-N33 PolarHBondContact O-ND2 3.32Å; A31-N33 PolarHBondContact O-N 2.88Å
34R96.8Very high97.6Very high163 Ų16362.7 Ų62.762%0.61529%0.292SS*.THydrogen-bonded Turntrans-111.8-35.6-175-178.9173.4175.6-178.11.3113.3K30 A31 M32K30-R34 WeakPolarHBondContact O-CB 3.5Å; K30-R34 PolarHBondContact O-N 2.85Å; A31-R34 PolarHBondContact O-N 2.85Å; M32-R34 VanDerWaalsContact C-N 3.31Å
35F96.8Very high97.6Very high34 Ų3462.7 Ų62.715%0.14929%0.292CS..  trans-123.3146.4-171.8-53.4-73.9000110.7A31 E40 V41 F44A31-F35 WeakPolarHBondContact O-CD2 3.48Å; A31-F35 PolarHBondContact O-N 3.03Å; F35-E40 HydrophobicContact CB-CB 3.81Å; F35-E40 HydrophobicContact CD1-CB 3.7Å; F35-E40 HydrophobicContact CD1-CG 4.35Å; F35-E40 HydrophobicContact CE1-CB 4.37Å; F35-E40 HydrophobicContact CG-CB 3.76Å; F35-V41 HydrophobicContact CB-CG2 3.91Å; F35-F44 HydrophobicContact CD2-CB 4.26Å; F35-F44 HydrophobicContact CD2-CG 4.4Å; F35-F44 HydrophobicContact CE2-CB 3.63Å; F35-F44 HydrophobicContact CE2-CD1 4.16Å; F35-F44 AromaticContact CE2-CD2 3.58Å; F35-F44 HydrophobicContact CE2-CD2 3.58Å; F35-F44 HydrophobicContact CE2-CE2 4.25Å; F35-F44 AromaticContact CE2-CG 3.52Å; F35-F44 HydrophobicContact CE2-CG 3.52Å; F35-F44 HydrophobicContact CZ-CB 4.31Å; F35-F44 AromaticContact CZ-CD2 3.92Å; F35-F44 HydrophobicContact CZ-CD2 3.92Å; F35-F44 HydrophobicContact CZ-CG 4.26Å
36T92.7Very high97.6Very high95 Ų9565 Ų6558%0.58330%0.301SS*.  trans-103-26.7174.251.50000112.4M1M1-T36 HydrophobicContact SD-CG2 4.25Å
37E95.7Very high97.6Very high112 Ų11262.3 Ų62.352%0.52330%0.298SS..SBendtrans-83.9129.5-178.5-61.4-64.113900111R39 E40 V41E37-R39 PolarHBondContact O-N 3.21Å; E37-R39 VanDerWaalsContact O-N 3.17Å; E37-E40 HydrophobicContact CB-CB 4.31Å; E37-E40 HydrophobicContact CB-CG 3.97Å; E37-E40 PolarHBondContact O-N 3.48Å; E37-V41 PolarHBondContact O-N 3.07Å; E37-V41 VanDerWaalsContact O-N 3.17Å
38E97.1Very high97.6Very high68 Ų6864.7 Ų64.732%0.31831%0.307SS..Hα-helixtrans-57.6-37.1-177.5-63.494.915100112E40 V41 A42 V61 F84E38-E40 VanDerWaalsContact C-N 3.31Å; E38-E40 PolarHBondContact O-N 3.44Å; E38-V41 PolarHBondContact O-N 3.47Å; E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 3.06Å; E38-V61 HydrophobicContact CB-CB 4.15Å; E38-V61 HydrophobicContact CB-CG1 3.85Å; E38-V61 HydrophobicContact CG-CG1 4.02Å; E38-F84 HydrophobicContact CG-CD1 4.04Å; E38-F84 HydrophobicContact CG-CE1 3.6Å; E38-F84 WeakPolarHBondContact OE1-CE1 3.47Å
39R97.8Very high97.6Very high203 Ų20364.7 Ų64.777%0.76631%0.307SS*.Hα-helixtrans-62.3-38.5178.3-174.1-179.367.9164-0.1112.2E37 S43E37-R39 PolarHBondContact O-N 3.21Å; E37-R39 VanDerWaalsContact O-N 3.17Å; R39-S43 VanDerWaalsContact O-CB 3.32Å; R39-S43 WeakPolarHBondContact O-CB 3.34Å; R39-S43 PolarHBondContact O-N 3.47Å; R39-S43 PolarHBondContact O-OG 3.35Å
40E98.4Very high97.6Very high83 Ų8363.6 Ų63.639%0.38830%0.303SS..Hα-helixtrans-71.6-42.2179.2-66.5-173126.600111F35 E37 E38 S43 F44F35-E40 HydrophobicContact CB-CB 3.81Å; F35-E40 HydrophobicContact CD1-CB 3.7Å; F35-E40 HydrophobicContact CD1-CG 4.35Å; F35-E40 HydrophobicContact CE1-CB 4.37Å; F35-E40 HydrophobicContact CG-CB 3.76Å; E37-E40 HydrophobicContact CB-CB 4.31Å; E37-E40 HydrophobicContact CB-CG 3.97Å; E37-E40 PolarHBondContact O-N 3.48Å; E38-E40 VanDerWaalsContact C-N 3.31Å; E38-E40 PolarHBondContact O-N 3.44Å; E40-S43 PolarHBondContact O-N 3.33Å; E40-F44 VanDerWaalsContact O-CB 3.26Å; E40-F44 WeakPolarHBondContact O-CB 3.34Å; E40-F44 PolarHBondContact O-N 3.45Å
41V98.4Very high97.5Very high4 Ų461.6 Ų61.62%0.02431%0.305CS..Hα-helixtrans-56.9-51.3173.1177.60000110.4L28 A31 M32 F35 E37 E38 S43 F44 I45 V61L28-V41 HydrophobicContact CD1-CG1 4.31Å; A31-V41 HydrophobicContact CB-CG1 3.88Å; M32-V41 HydrophobicContact SD-CG1 4.04Å; M32-V41 HydrophobicContact SD-CG2 4.21Å; F35-V41 HydrophobicContact CB-CG2 3.91Å; E37-V41 PolarHBondContact O-N 3.07Å; E37-V41 VanDerWaalsContact O-N 3.17Å; E38-V41 PolarHBondContact O-N 3.47Å; V41-S43 PolarHBondContact O-N 2.76Å; V41-F44 PolarHBondContact O-N 2.91Å; V41-I45 HydrophobicContact CG1-CD1 3.81Å; V41-I45 WeakPolarHBondContact O-CG1 3.33Å; V41-I45 PolarHBondContact O-N 3.36Å; V41-V61 HydrophobicContact CB-CG1 4.48Å; V41-V61 HydrophobicContact CB-CG2 4.31Å; V41-V61 HydrophobicContact CG1-CG1 4.34Å; V41-V61 HydrophobicContact CG1-CG2 3.93Å
42A98.7Very high97.5Very high16 Ų1666.7 Ų66.713%0.13233%0.328CS..Hα-helixtrans-58.9-48.2179.700000111.9E38 F44 I45 K46 C59 V61E38-A42 WeakPolarHBondContact O-CB 3.4Å; E38-A42 PolarHBondContact O-N 3.06Å; A42-F44 VanDerWaalsContact C-N 3.35Å; A42-F44 PolarHBondContact O-N 3.45Å; A42-I45 PolarHBondContact O-N 3.39Å; A42-K46 VanDerWaalsContact O-CB 3.24Å; A42-K46 WeakPolarHBondContact O-CB 3.26Å; A42-K46 PolarHBondContact O-N 3Å; A42-C59 HydrophobicContact CB-CB 4.44Å; A42-V61 HydrophobicContact CB-CB 4.26Å; A42-V61 HydrophobicContact CB-CG2 3.71Å
43S98.5Very high97.4Very high62 Ų6267.3 Ų67.343%0.43433%0.331SS..Hα-helixtrans-64.6-38.9-178.6-58.30000112.2R39 E40 V41 S47R39-S43 VanDerWaalsContact O-CB 3.32Å; R39-S43 WeakPolarHBondContact O-CB 3.34Å; R39-S43 PolarHBondContact O-N 3.47Å; R39-S43 PolarHBondContact O-OG 3.35Å; E40-S43 PolarHBondContact O-N 3.33Å; V41-S43 PolarHBondContact O-N 2.76Å; S43-S47 VanDerWaalsContact O-CB 3.3Å; S43-S47 WeakPolarHBondContact O-CB 3.32Å; S43-S47 PolarHBondContact O-N 3.17Å; S43-S47 PolarHBondContact O-OG 2.91Å
44F98.7Very high97.2Very high41 Ų4171 Ų7118%0.1835%0.345CS..Hα-helixtrans-65.9-48.3178.4178.9-97.8000112I27 K30 A31 F35 E40 V41 A42 S47 Y48I27-F44 HydrophobicContact CD1-CD1 4.23Å; I27-F44 HydrophobicContact CD1-CE1 3.36Å; I27-F44 HydrophobicContact CD1-CZ 3.82Å; I27-F44 HydrophobicContact CG1-CD1 4.17Å; I27-F44 HydrophobicContact CG1-CE1 3.74Å; K30-F44 HydrophobicContact CB-CE1 4.44Å; K30-F44 HydrophobicContact CD-CE1 4.4Å; K30-F44 HydrophobicContact CD-CZ 4.02Å; K30-F44 HydrophobicContact CG-CE1 4.26Å; K30-F44 HydrophobicContact CG-CZ 4.17Å; A31-F44 HydrophobicContact CB-CD1 3.61Å; A31-F44 HydrophobicContact CB-CE1 4.11Å; F35-F44 HydrophobicContact CD2-CB 4.26Å; F35-F44 HydrophobicContact CD2-CG 4.4Å; F35-F44 HydrophobicContact CE2-CB 3.63Å; F35-F44 HydrophobicContact CE2-CD1 4.16Å; F35-F44 AromaticContact CE2-CD2 3.58Å; F35-F44 HydrophobicContact CE2-CD2 3.58Å; F35-F44 HydrophobicContact CE2-CE2 4.25Å; F35-F44 AromaticContact CE2-CG 3.52Å; F35-F44 HydrophobicContact CE2-CG 3.52Å; F35-F44 HydrophobicContact CZ-CB 4.31Å; F35-F44 AromaticContact CZ-CD2 3.92Å; F35-F44 HydrophobicContact CZ-CD2 3.92Å; F35-F44 HydrophobicContact CZ-CG 4.26Å; E40-F44 VanDerWaalsContact O-CB 3.26Å; E40-F44 WeakPolarHBondContact O-CB 3.34Å; E40-F44 PolarHBondContact O-N 3.45Å; V41-F44 PolarHBondContact O-N 2.91Å; A42-F44 VanDerWaalsContact C-N 3.35Å; A42-F44 PolarHBondContact O-N 3.45Å; F44-S47 PolarHBondContact O-N 3.17Å; F44-Y48 WeakPolarHBondContact O-CB 3.45Å; F44-Y48 PolarHBondContact O-N 3.12Å
45I98.8Very high97.1Very high3 Ų366.6 Ų66.62%0.01534%0.337CS..Hα-helixtrans-63-47.4178.9-64.4170.7000110.2I27 L28 A31 V41 A42 S47 Y48 F49 V86 L88I27-I45 HydrophobicContact CG2-CG1 4.29Å; I27-I45 HydrophobicContact CG2-CG2 4.02Å; L28-I45 HydrophobicContact CB-CD1 4.27Å; L28-I45 HydrophobicContact CD1-CD1 3.7Å; A31-I45 HydrophobicContact CB-CD1 4.23Å; A31-I45 HydrophobicContact CB-CG1 3.99Å; V41-I45 HydrophobicContact CG1-CD1 3.81Å; V41-I45 WeakPolarHBondContact O-CG1 3.33Å; V41-I45 PolarHBondContact O-N 3.36Å; A42-I45 PolarHBondContact O-N 3.39Å; I45-S47 PolarHBondContact O-N 3.47Å; I45-Y48 PolarHBondContact O-N 3.13Å; I45-F49 HydrophobicContact CG2-CD2 4.2Å; I45-F49 PolarHBondContact O-N 2.98Å; I45-V86 HydrophobicContact CD1-CG1 4.06Å; I45-L88 HydrophobicContact CG2-CD1 3.96Å; I45-L88 HydrophobicContact CG2-CD2 3.96Å; I45-L88 HydrophobicContact CG2-CG 4.45Å
46K98.6Very high97Very high77 Ų7769.9 Ų69.934%0.33535%0.353SS..Hα-helixtrans-58-48.2178.5-175.1-92.4-172.8-168.70112A42 Y48 F49 D50 W57 C59A42-K46 VanDerWaalsContact O-CB 3.24Å; A42-K46 WeakPolarHBondContact O-CB 3.26Å; A42-K46 PolarHBondContact O-N 3Å; K46-Y48 VanDerWaalsContact C-N 3.33Å; K46-Y48 PolarHBondContact O-N 2.86Å; K46-F49 PolarHBondContact O-N 3.42Å; K46-D50 WeakPolarHBondContact CD-OD2 3.43Å; K46-D50 WeakPolarHBondContact CE-OD2 3.4Å; K46-D50 IonicContact NZ-OD2 2.6Å; K46-D50 PolarHBondContact NZ-OD2 3.25Å; K46-D50 WeakPolarHBondContact O-CB 3.33Å; K46-D50 PolarHBondContact O-N 3.38Å; K46-W57 WeakPolarHBondContact CE-O 3.47Å; K46-W57 WeakPolarHBondContact CG-O 3.42Å; K46-C59 HydrophobicContact CB-CB 3.93Å
47S98.2Very high97.2Very high68 Ų6865.4 Ų65.448%0.47633%0.325SS..Hα-helixtrans-65.3-37-178.8-56.60000112.4S43 F44 I45 S51S43-S47 VanDerWaalsContact O-CB 3.3Å; S43-S47 WeakPolarHBondContact O-CB 3.32Å; S43-S47 PolarHBondContact O-N 3.17Å; S43-S47 PolarHBondContact O-OG 2.91Å; F44-S47 PolarHBondContact O-N 3.17Å; I45-S47 PolarHBondContact O-N 3.47Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.46Å
48Y98.6Very high97.4Very high57 Ų5763.5 Ų63.522%0.22432%0.316CS..Hα-helixtrans-63.5-47.9173.1177-94.8000111.1D23 I27 F44 I45 K46 D50 S51 H52D23-Y48 PolarHBondContact OD1-OH 2.84Å; D23-Y48 WeakPolarHBondContact OD2-CE1 3.48Å; D23-Y48 PolarHBondContact OD2-OH 2.85Å; I27-Y48 HydrophobicContact CB-CD1 3.95Å; I27-Y48 HydrophobicContact CB-CE1 4.12Å; I27-Y48 HydrophobicContact CB-CG 4.44Å; I27-Y48 HydrophobicContact CD1-CD1 3.87Å; I27-Y48 HydrophobicContact CD1-CD2 3.57Å; I27-Y48 HydrophobicContact CD1-CE1 4.24Å; I27-Y48 HydrophobicContact CD1-CE2 3.97Å; I27-Y48 HydrophobicContact CD1-CG 3.5Å; I27-Y48 HydrophobicContact CG1-CD1 3.64Å; I27-Y48 HydrophobicContact CG1-CD2 4.24Å; I27-Y48 HydrophobicContact CG1-CE1 4.2Å; I27-Y48 HydrophobicContact CG1-CG 3.64Å; I27-Y48 HydrophobicContact CG2-CD1 4.21Å; F44-Y48 WeakPolarHBondContact O-CB 3.45Å; F44-Y48 PolarHBondContact O-N 3.12Å; I45-Y48 PolarHBondContact O-N 3.13Å; K46-Y48 VanDerWaalsContact C-N 3.33Å; K46-Y48 PolarHBondContact O-N 2.86Å; Y48-D50 PolarHBondContact O-N 3.36Å; Y48-S51 PolarHBondContact O-N 2.84Å; Y48-S51 PolarHBondContact O-OG 2.99Å; Y48-H52 AromaticContact CD2-CE1 3.49Å; Y48-H52 VanDerWaalsContact CD2-CE1 3.49Å; Y48-H52 WeakPolarHBondContact CD2-CE1 3.48Å; Y48-H52 AromaticContact CD2-ND1 3.59Å; Y48-H52 AromaticContact CE2-CD2 3.88Å; Y48-H52 AromaticContact CE2-CE1 3.44Å; Y48-H52 VanDerWaalsContact CE2-CE1 3.44Å; Y48-H52 WeakPolarHBondContact CE2-CE1 3.3Å; Y48-H52 AromaticContact CE2-CG 3.95Å; Y48-H52 AromaticContact CE2-ND1 3.67Å; Y48-H52 AromaticContact CE2-NE2 3.56Å; Y48-H52 AromaticContact CG-ND1 3.99Å; Y48-H52 PolarHBondContact O-N 2.83Å; Y48-H52 PolarHBondContact O-ND1 2.72Å
49F98.4Very high97.4Very high0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-67.2-38.1-178.9-95.7-99.2000113.1M20 A24 I27 I45 K46 S51 H52 H53 W57 L88M20-F49 HydrophobicContact CG-CE1 3.94Å; A24-F49 HydrophobicContact CB-CE2 4.2Å; A24-F49 HydrophobicContact CB-CZ 3.72Å; I27-F49 HydrophobicContact CG2-CD2 4.18Å; I27-F49 HydrophobicContact CG2-CE2 3.66Å; I45-F49 HydrophobicContact CG2-CD2 4.2Å; I45-F49 PolarHBondContact O-N 2.98Å; K46-F49 PolarHBondContact O-N 3.42Å; F49-S51 VanDerWaalsContact C-N 3.26Å; F49-S51 PolarHBondContact O-N 3.41Å; F49-H52 PolarHBondContact O-N 3.24Å; F49-H53 HydrophobicContact CD1-CB 4.14Å; F49-H53 AromaticContact CD1-CD2 3.4Å; F49-H53 WeakPolarHBondContact CD1-CD2 3.32Å; F49-H53 AromaticContact CD1-CG 3.98Å; F49-H53 AromaticContact CE1-CD2 3.47Å; F49-H53 VanDerWaalsContact CE1-CD2 3.47Å; F49-H53 WeakPolarHBondContact CE1-CD2 3.24Å; F49-H53 AromaticContact CE1-NE2 3.94Å; F49-H53 AromaticContact CG-CD2 3.99Å; F49-H53 WeakPolarHBondContact O-CA 3.37Å; F49-H53 WeakPolarHBondContact O-CB 3.43Å; F49-H53 PolarHBondContact O-N 2.74Å; F49-W57 VanDerWaalsContact C-CD1 3.43Å; F49-W57 HydrophobicContact CB-CB 4.02Å; F49-W57 HydrophobicContact CB-CD2 3.75Å; F49-W57 HydrophobicContact CB-CE3 4.35Å; F49-W57 HydrophobicContact CB-CG 3.57Å; F49-W57 AromaticContact CD1-CD2 3.71Å; F49-W57 HydrophobicContact CD1-CD2 3.71Å; F49-W57 AromaticContact CD1-CE2 3.58Å; F49-W57 AromaticContact CD1-CE3 3.85Å; F49-W57 HydrophobicContact CD1-CE3 3.85Å; F49-W57 HydrophobicContact CD1-CG 4.43Å; F49-W57 AromaticContact CD1-CH2 3.71Å; F49-W57 HydrophobicContact CD1-CH2 3.71Å; F49-W57 AromaticContact CD1-CZ2 3.58Å; F49-W57 HydrophobicContact CD1-CZ2 3.58Å; F49-W57 AromaticContact CD1-CZ3 3.86Å; F49-W57 HydrophobicContact CD1-CZ3 3.86Å; F49-W57 AromaticContact CE1-CH2 3.95Å; F49-W57 HydrophobicContact CE1-CH2 3.95Å; F49-W57 HydrophobicContact CE1-CZ2 4.13Å; F49-W57 HydrophobicContact CE1-CZ3 4.23Å; F49-W57 HydrophobicContact CG-CD2 4.13Å; F49-W57 HydrophobicContact CG-CE3 4.36Å; F49-W57 HydrophobicContact CG-CG 4.45Å; F49-W57 PolarHBondContact O-NE1 2.82Å; F49-L88 HydrophobicContact CB-CD1 4.42Å; F49-L88 HydrophobicContact CD1-CD2 3.87Å; F49-L88 HydrophobicContact CD2-CD1 4.47Å; F49-L88 HydrophobicContact CD2-CD2 3.62Å; F49-L88 HydrophobicContact CE1-CD2 3.74Å; F49-L88 HydrophobicContact CE2-CD2 3.51Å; F49-L88 HydrophobicContact CG-CD1 4.24Å; F49-L88 HydrophobicContact CG-CD2 3.82Å; F49-L88 HydrophobicContact CZ-CD2 3.58Å
50D97.9Very high97.5Very high25 Ų2555 Ų5513%0.13429%0.289CS..Hα-helixtrans-58.2-38.8172.5-85.6-15.1000113.1K46 Y48 T55 W57K46-D50 WeakPolarHBondContact CD-OD2 3.43Å; K46-D50 WeakPolarHBondContact CE-OD2 3.4Å; K46-D50 IonicContact NZ-OD2 2.6Å; K46-D50 PolarHBondContact NZ-OD2 3.25Å; K46-D50 WeakPolarHBondContact O-CB 3.33Å; K46-D50 PolarHBondContact O-N 3.38Å; Y48-D50 PolarHBondContact O-N 3.36Å; D50-T55 HydrophobicContact CB-CG2 3.82Å; D50-T55 WeakPolarHBondContact OD1-CA 3.42Å; D50-W57 WeakPolarHBondContact OD1-CB 3.31Å; D50-W57 PolarHBondContact OD1-N 3.34Å
51S97Very high97.5Very high85 Ų8552.1 Ų52.159%0.59428%0.276SS*.Hα-helixtrans-80.9-26.7-178.149.30000113.8S47 Y48 F49S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.46Å; Y48-S51 PolarHBondContact O-N 2.84Å; Y48-S51 PolarHBondContact O-OG 2.99Å; F49-S51 VanDerWaalsContact C-N 3.26Å; F49-S51 PolarHBondContact O-N 3.41Å
52H97Very high97.4Very high107 Ų10752.6 Ų52.650%0.49528%0.282SS..Hα-helixtrans-107.3-24.1-174.1-64.570.5000113.9Y48 F49Y48-H52 AromaticContact CD2-CE1 3.49Å; Y48-H52 VanDerWaalsContact CD2-CE1 3.49Å; Y48-H52 WeakPolarHBondContact CD2-CE1 3.48Å; Y48-H52 AromaticContact CD2-ND1 3.59Å; Y48-H52 AromaticContact CE2-CD2 3.88Å; Y48-H52 AromaticContact CE2-CE1 3.44Å; Y48-H52 VanDerWaalsContact CE2-CE1 3.44Å; Y48-H52 WeakPolarHBondContact CE2-CE1 3.3Å; Y48-H52 AromaticContact CE2-CG 3.95Å; Y48-H52 AromaticContact CE2-ND1 3.67Å; Y48-H52 AromaticContact CE2-NE2 3.56Å; Y48-H52 AromaticContact CG-ND1 3.99Å; Y48-H52 PolarHBondContact O-N 2.83Å; Y48-H52 PolarHBondContact O-ND1 2.72Å; F49-H52 PolarHBondContact O-N 3.24Å
53H95.6Very high97.3Very high40 Ų4056.8 Ų56.819%0.18530%0.297CS..SBendtrans-127.922.8-172.9-61.7-71.7000113.2M20 D23 F49 W57M20-H53 HydrophobicContact CE-CB 4.42Å; D23-H53 IonicContact OD2-CD2 3.83Å; D23-H53 IonicContact OD2-CE1 3.6Å; D23-H53 IonicContact OD2-NE2 2.76Å; D23-H53 PolarHBondContact OD2-NE2 2.98Å; F49-H53 HydrophobicContact CD1-CB 4.14Å; F49-H53 AromaticContact CD1-CD2 3.4Å; F49-H53 WeakPolarHBondContact CD1-CD2 3.32Å; F49-H53 AromaticContact CD1-CG 3.98Å; F49-H53 AromaticContact CE1-CD2 3.47Å; F49-H53 VanDerWaalsContact CE1-CD2 3.47Å; F49-H53 WeakPolarHBondContact CE1-CD2 3.24Å; F49-H53 AromaticContact CE1-NE2 3.94Å; F49-H53 AromaticContact CG-CD2 3.99Å; F49-H53 WeakPolarHBondContact O-CA 3.37Å; F49-H53 WeakPolarHBondContact O-CB 3.43Å; F49-H53 PolarHBondContact O-N 2.74Å; H53-W57 HydrophobicContact CB-CZ2 3.73Å; H53-W57 PolarHBondContact O-NE1 3.25Å
54H92.4Very high97.1Very high148 Ų14862.4 Ų62.469%0.68532%0.316SS*.  trans60135.4-176.9-51.3-78.8000114.5W57 K90H54-W57 VanDerWaalsContact O-CD1 3.22Å; H54-W57 PolarHBondContact O-NE1 2.98Å; H54-W57 VanDerWaalsContact O-NE1 3.08Å; H54-K90 PolarHBondContact O-NZ 3.01Å
55T93Very high97Very high71 Ų7163 Ų6344%0.43632%0.319SS..SBendtrans-57.9155.9175.663.50000112.2D50 K90D50-T55 HydrophobicContact CB-CG2 3.82Å; D50-T55 WeakPolarHBondContact OD1-CA 3.42Å; T55-K90 WeakPolarHBondContact O-CE 3.32Å; T55-K90 PolarHBondContact O-NZ 2.92Å
56H95.1Very high96.7Very high103 Ų10370 Ų7048%0.47736%0.357SS..  cis-1151076.8-61.7-80.4000112.4H58 Y91H56-H58 PolarHBondContact O-CD2 2.91Å; H56-H58 PolarHBondContact O-NE2 2.93Å; H56-Y91 PolarHBondContact O-N 2.87Å
57W98.4Very high96.4Very high1 Ų168.1 Ų68.10%0.00435%0.353CS..EExtended strand (participates in β ladder)trans-83.8149.5176.3-71.586.4000112.3M16 M20 K46 F49 D50 H53 H54 H75 L88 K90M16-W57 HydrophobicContact CE-CH2 3.66Å; M16-W57 HydrophobicContact CE-CZ3 3.44Å; M16-W57 VanDerWaalsContact CE-CZ3 3.44Å; M20-W57 HydrophobicContact CE-CZ2 4.4Å; M20-W57 HydrophobicContact SD-CH2 3.75Å; M20-W57 HydrophobicContact SD-CZ2 4.11Å; K46-W57 WeakPolarHBondContact CE-O 3.47Å; K46-W57 WeakPolarHBondContact CG-O 3.42Å; F49-W57 VanDerWaalsContact C-CD1 3.43Å; F49-W57 HydrophobicContact CB-CB 4.02Å; F49-W57 HydrophobicContact CB-CD2 3.75Å; F49-W57 HydrophobicContact CB-CE3 4.35Å; F49-W57 HydrophobicContact CB-CG 3.57Å; F49-W57 AromaticContact CD1-CD2 3.71Å; F49-W57 HydrophobicContact CD1-CD2 3.71Å; F49-W57 AromaticContact CD1-CE2 3.58Å; F49-W57 AromaticContact CD1-CE3 3.85Å; F49-W57 HydrophobicContact CD1-CE3 3.85Å; F49-W57 HydrophobicContact CD1-CG 4.43Å; F49-W57 AromaticContact CD1-CH2 3.71Å; F49-W57 HydrophobicContact CD1-CH2 3.71Å; F49-W57 AromaticContact CD1-CZ2 3.58Å; F49-W57 HydrophobicContact CD1-CZ2 3.58Å; F49-W57 AromaticContact CD1-CZ3 3.86Å; F49-W57 HydrophobicContact CD1-CZ3 3.86Å; F49-W57 AromaticContact CE1-CH2 3.95Å; F49-W57 HydrophobicContact CE1-CH2 3.95Å; F49-W57 HydrophobicContact CE1-CZ2 4.13Å; F49-W57 HydrophobicContact CE1-CZ3 4.23Å; F49-W57 HydrophobicContact CG-CD2 4.13Å; F49-W57 HydrophobicContact CG-CE3 4.36Å; F49-W57 HydrophobicContact CG-CG 4.45Å; F49-W57 PolarHBondContact O-NE1 2.82Å; D50-W57 WeakPolarHBondContact OD1-CB 3.31Å; D50-W57 PolarHBondContact OD1-N 3.34Å; H53-W57 HydrophobicContact CB-CZ2 3.73Å; H53-W57 PolarHBondContact O-NE1 3.25Å; H54-W57 VanDerWaalsContact O-CD1 3.22Å; H54-W57 PolarHBondContact O-NE1 2.98Å; H54-W57 VanDerWaalsContact O-NE1 3.08Å; W57-H75 HydrophobicContact CH2-CB 3.85Å; W57-H75 AromaticContact CH2-CD2 3.84Å; W57-H75 HydrophobicContact CZ2-CB 4.43Å; W57-H75 AromaticContact CZ2-CD2 3.76Å; W57-H75 HydrophobicContact CZ3-CB 4.31Å; W57-L88 HydrophobicContact CD2-CD1 4.48Å; W57-L88 HydrophobicContact CE3-CD1 3.7Å; W57-L88 HydrophobicContact CE3-CD2 4.47Å; W57-L88 HydrophobicContact CE3-CG 3.81Å; W57-L88 HydrophobicContact CZ3-CD1 4.35Å; W57-L88 HydrophobicContact CZ3-CD2 4.41Å; W57-L88 HydrophobicContact CZ3-CG 3.94Å; W57-K90 HydrophobicContact CD2-CB 4.04Å; W57-K90 HydrophobicContact CD2-CG 4.33Å; W57-K90 HydrophobicContact CE3-CB 4.05Å; W57-K90 HydrophobicContact CH2-CB 4.33Å; W57-K90 HydrophobicContact CZ2-CB 4.31Å; W57-K90 HydrophobicContact CZ2-CD 4.37Å; W57-K90 HydrophobicContact CZ3-CB 4.19Å
58H98.3Very high96.3Very high72 Ų7271 Ų7133%0.33337%0.373SS..EExtended strand (participates in β ladder)trans-124.9137.9177.2-55.1-87.2000108.4H56 L88 F89 Y91H56-H58 PolarHBondContact O-CD2 2.91Å; H56-H58 PolarHBondContact O-NE2 2.93Å; H58-L88 WeakPolarHBondContact O-CA 3.4Å; H58-F89 HydrophobicContact CB-CD1 3.99Å; H58-F89 HydrophobicContact CB-CD2 4.33Å; H58-F89 HydrophobicContact CB-CE1 3.56Å; H58-F89 HydrophobicContact CB-CE2 3.92Å; H58-F89 HydrophobicContact CB-CG 4.38Å; H58-F89 HydrophobicContact CB-CZ 3.53Å; H58-F89 AromaticContact CD2-CE2 3.87Å; H58-F89 AromaticContact CG-CE2 4Å; H58-F89 AromaticContact CG-CZ 3.95Å; H58-F89 PolarHBondContact N-O 2.88Å; H58-F89 PolarHBondContact O-N 2.96Å; H58-Y91 PolarHBondContact NE2-O 2.85Å
59C98.6Very high96.1Very high21 Ų2170.9 Ų70.914%0.14238%0.378CS..EExtended strand (participates in β ladder)trans-135.3130.1178-169.60000110.5A42 K46 L87 L88A42-C59 HydrophobicContact CB-CB 4.44Å; K46-C59 HydrophobicContact CB-CB 3.93Å; C59-L87 CarbonylContact C-O 3.57Å; C59-L87 VanDerWaalsContact CA-O 3.3Å; C59-L87 WeakPolarHBondContact CA-O 3.06Å; C59-L88 HydrophobicContact CB-CD1 4.16Å
60I98.3Very high96Very high72 Ų7273.9 Ų73.937%0.36940%0.403SS..EExtended strand (participates in β ladder)trans-121.1129.3176.2-58176.5000107.5F65 V86 L87 F89I60-F65 HydrophobicContact CG2-CD1 4.34Å; I60-F65 HydrophobicContact CG2-CE1 4.25Å; I60-F65 HydrophobicContact CG2-CZ 4.42Å; I60-V86 CarbonylContact O-C 3.59Å; I60-V86 WeakPolarHBondContact O-CA 3.47Å; I60-L87 HydrophobicContact CB-CB 4.35Å; I60-L87 HydrophobicContact CD1-CD2 4.34Å; I60-L87 PolarHBondContact N-O 3.41Å; I60-L87 PolarHBondContact O-N 3.49Å; I60-F89 HydrophobicContact CD1-CE1 4.43Å
61V98.4Very high95.9Very high21 Ų2176 Ų7613%0.12741%0.411CS..EExtended strand (participates in β ladder)trans-126.4131.8177.21800000107.9E38 V41 A42 F84 L85 V86E38-V61 HydrophobicContact CB-CB 4.15Å; E38-V61 HydrophobicContact CB-CG1 3.85Å; E38-V61 HydrophobicContact CG-CG1 4.02Å; V41-V61 HydrophobicContact CB-CG1 4.48Å; V41-V61 HydrophobicContact CB-CG2 4.31Å; V41-V61 HydrophobicContact CG1-CG1 4.34Å; V41-V61 HydrophobicContact CG1-CG2 3.93Å; A42-V61 HydrophobicContact CB-CB 4.26Å; A42-V61 HydrophobicContact CB-CG2 3.71Å; V61-F84 HydrophobicContact CG1-CD1 4.44Å; V61-L85 WeakPolarHBondContact CA-O 3.3Å; V61-V86 HydrophobicContact CG1-CG2 4.26Å; V61-V86 HydrophobicContact CG2-CG1 4.09Å; V61-V86 HydrophobicContact CG2-CG2 4.09Å
62G97.7Very high95.8Very high14 Ų1474.5 Ų74.514%0.14439%0.394CS..EExtended strand (participates in β ladder)trans-177.7161.8176.600000112.7L85G62-L85 PolarHBondContact N-O 2.86Å; G62-L85 VanDerWaalsContact N-O 3.1Å; G62-L85 PolarHBondContact O-N 2.8Å
63K96.5Very high95.7Very high105 Ų10573.2 Ų73.246%0.45740%0.403SS..SBendtrans-74.1-38.3179.9-62-177.7-178.1-178.40112.9D83 F84K63-D83 VanDerWaalsContact CA-O 3.31Å; K63-D83 WeakPolarHBondContact CA-O 3.49Å; K63-F84 HydrophobicContact CD-CE1 4.27Å; K63-F84 VanDerWaalsContact CE-CZ 3.5Å; K63-F84 HydrophobicContact CG-CD1 3.75Å; K63-F84 HydrophobicContact CG-CE1 3.59Å; K63-F84 HydrophobicContact CG-CG 4.5Å; K63-F84 HydrophobicContact CG-CZ 4.23Å
64H93.6Very high95.6Very high179 Ų17974.1 Ų74.183%0.82941%0.413SS*.SBendtrans-138.8110-177.7-55.6-58.2000110.1
65F96.8Very high95.8Very high53 Ų5369.2 Ų69.223%0.23239%0.391CS..  trans-150159.3166.467.8-95.4000109.5I60 C67 L78 L85 L87I60-F65 HydrophobicContact CG2-CD1 4.34Å; I60-F65 HydrophobicContact CG2-CE1 4.25Å; I60-F65 HydrophobicContact CG2-CZ 4.42Å; F65-C67 HydrophobicContact CD2-CB 4.41Å; F65-C67 HydrophobicContact CE2-CB 4.5Å; F65-L78 HydrophobicContact CE2-CD1 4.24Å; F65-L78 HydrophobicContact CZ-CD1 3.89Å; F65-L85 HydrophobicContact CD1-CB 4.05Å; F65-L85 HydrophobicContact CE1-CB 3.26Å; F65-L85 HydrophobicContact CE1-CD1 4.37Å; F65-L85 HydrophobicContact CE1-CG 4.44Å; F65-L85 WeakPolarHBondContact CE1-O 3.09Å; F65-L85 HydrophobicContact CZ-CB 3.61Å; F65-L85 HydrophobicContact CZ-CD1 4.5Å; F65-L87 HydrophobicContact CE2-CB 4.04Å; F65-L87 HydrophobicContact CE2-CD2 4.49Å; F65-L87 HydrophobicContact CZ-CB 3.86Å
66D92.9Very high96.1Very high152 Ų15266.1 Ų66.181%0.81337%0.372SS*.  trans-124.5156.5163.9-158.2-9.5000108
67C92.6Very high96.2Very high37 Ų3761.3 Ų61.325%0.2535%0.349CS..  trans-144.9136.3-173.364.20000112.8F65 V69 L87F65-C67 HydrophobicContact CD2-CB 4.41Å; F65-C67 HydrophobicContact CE2-CB 4.5Å; C67-V69 HydrophobicContact CB-CG1 4.32Å; C67-L87 HydrophobicContact CB-CD2 4.01Å
68S95Very high96.2Very high128 Ų12862 Ų6290%0.89535%0.353SS*.  trans-123.997.9163.1-174.20000107.3
69V94.7Very high96.2Very high54 Ų5458.8 Ų58.833%0.32734%0.339SS..  trans-126.7143.2-173.4-64.20000110.9C67 F71 L87 F89C67-V69 HydrophobicContact CB-CG1 4.32Å; V69-F71 HydrophobicContact CG2-CD1 4.33Å; V69-L87 HydrophobicContact CG2-CD2 4.13Å; V69-F89 HydrophobicContact CB-CE2 4.36Å; V69-F89 HydrophobicContact CB-CZ 4.36Å; V69-F89 HydrophobicContact CG1-CZ 4.3Å
70A95.8Very high96.2Very high64 Ų6463.7 Ų63.753%0.52935%0.354SS..  trans-83143.9165.300000109.6Y91A70-Y91 HydrophobicContact CB-CD2 3.99Å; A70-Y91 HydrophobicContact CB-CE2 3.66Å; A70-Y91 WeakPolarHBondContact O-CD2 3.36Å
71F96Very high96.1Very high69 Ų6960.3 Ų60.330%0.30334%0.337SS..  trans-149.1156.5178.453.8-96.6000110.5Y15 V69 C76 F89 K90Y15-F71 AromaticContact CD2-CE2 3.99Å; Y15-F71 HydrophobicContact CD2-CE2 3.99Å; Y15-F71 AromaticContact CD2-CZ 3.71Å; Y15-F71 HydrophobicContact CD2-CZ 3.71Å; Y15-F71 HydrophobicContact CE2-CE2 4.49Å; Y15-F71 AromaticContact CE2-CZ 3.78Å; Y15-F71 HydrophobicContact CE2-CZ 3.78Å; Y15-F71 HydrophobicContact CG-CE2 4.16Å; Y15-F71 HydrophobicContact CG-CZ 4.24Å; V69-F71 HydrophobicContact CG2-CD1 4.33Å; F71-C76 HydrophobicContact CB-CB 4.25Å; F71-C76 HydrophobicContact CD1-CB 3.89Å; F71-C76 HydrophobicContact CD2-CB 3.43Å; F71-C76 VanDerWaalsContact CD2-CB 3.43Å; F71-C76 HydrophobicContact CE1-CB 4.05Å; F71-C76 HydrophobicContact CE2-CB 3.61Å; F71-C76 HydrophobicContact CG-CB 3.58Å; F71-C76 HydrophobicContact CZ-CB 3.92Å; F71-F89 HydrophobicContact CB-CB 4.01Å; F71-F89 HydrophobicContact CB-CD2 3.97Å; F71-F89 HydrophobicContact CB-CG 4.42Å; F71-K90 CarbonylContact C-O 3.52Å; F71-K90 VanDerWaalsContact CA-O 3.24Å; F71-K90 WeakPolarHBondContact CA-O 3.41Å; F71-K90 WeakPolarHBondContact CB-O 3.24Å
72E96.1Very high95.9Very high53 Ų5363.6 Ų63.625%0.24835%0.351CS..  trans-63.1139.6172.4-72.5173.3-130.500111.1S74 H75 K90E72-S74 PolarHBondContact O-N 2.84Å; E72-H75 HydrophobicContact CB-CB 4.29Å; E72-H75 PolarHBondContact O-N 2.85Å; E72-K90 PolarHBondContact N-O 2.85Å; E72-K90 WeakPolarHBondContact OE1-CD 3.16Å; E72-K90 WeakPolarHBondContact OE1-CE 3.44Å; E72-K90 VanDerWaalsContact OE1-CG 3.24Å; E72-K90 WeakPolarHBondContact OE1-CG 3.19Å; E72-K90 WeakPolarHBondContact OE2-CD 3.24Å; E72-K90 WeakPolarHBondContact OE2-CE 3.38Å
73A93Very high95.7Very high81 Ų8168.7 Ų68.767%0.66938%0.375SS*.THydrogen-bonded Turntrans-52.1133.8178.800000110.9H75A73-H75 VanDerWaalsContact C-N 3.32Å; A73-H75 PolarHBondContact O-N 2.83Å; A73-H75 PolarHBondContact O-ND1 3.1Å
74S94.6Very high95.7Very high59 Ų5964.9 Ų64.941%0.41336%0.358SS..THydrogen-bonded Turntrans69.410.4-178.2-41.40000118Y15 M16 E72Y15-S74 CarbonylContact O-C 3.58Å; Y15-S74 WeakPolarHBondContact O-CA 3.46Å; M16-S74 VanDerWaalsContact CA-O 3.32Å; M16-S74 WeakPolarHBondContact CA-O 3.44Å; E72-S74 PolarHBondContact O-N 2.84Å
75H97.2Very high95.9Very high45 Ų4557.4 Ų57.421%0.20832%0.324CS..  trans-12349.9-176.6-61.292.8000112.4W57 E72 A73 F89 K90W57-H75 HydrophobicContact CH2-CB 3.85Å; W57-H75 AromaticContact CH2-CD2 3.84Å; W57-H75 HydrophobicContact CZ2-CB 4.43Å; W57-H75 AromaticContact CZ2-CD2 3.76Å; W57-H75 HydrophobicContact CZ3-CB 4.31Å; E72-H75 HydrophobicContact CB-CB 4.29Å; E72-H75 PolarHBondContact O-N 2.85Å; A73-H75 VanDerWaalsContact C-N 3.32Å; A73-H75 PolarHBondContact O-N 2.83Å; A73-H75 PolarHBondContact O-ND1 3.1Å; H75-F89 CarbonylContact O-C 3.5Å; H75-F89 WeakPolarHBondContact O-CA 3.14Å; H75-K90 HydrophobicContact CB-CB 3.57Å; H75-K90 PolarHBondContact O-N 3.02Å
76C98Very high96Very high6 Ų655 Ų554%0.04131%0.313CS..EExtended strand (participates in β ladder)trans-146134.5177.8178.50000111.9Y15 F71 L88 F89Y15-C76 HydrophobicContact CD2-CB 3.99Å; Y15-C76 PolarHBondContact N-O 3.21Å; F71-C76 HydrophobicContact CB-CB 4.25Å; F71-C76 HydrophobicContact CD1-CB 3.89Å; F71-C76 HydrophobicContact CD2-CB 3.43Å; F71-C76 VanDerWaalsContact CD2-CB 3.43Å; F71-C76 HydrophobicContact CE1-CB 4.05Å; F71-C76 HydrophobicContact CE2-CB 3.61Å; F71-C76 HydrophobicContact CG-CB 3.58Å; F71-C76 HydrophobicContact CZ-CB 3.92Å; C76-L88 WeakPolarHBondContact CA-O 3.33Å; C76-F89 HydrophobicContact CB-CB 4.06Å
77I98.5Very high96.2Very high1 Ų147.9 Ų47.91%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-144.8137.1174.6-165.1170.9000110.3R13 C14 M16 K21 A24 L79 L88R13-I77 WeakPolarHBondContact O-CA 3.4Å; R13-I77 WeakPolarHBondContact O-CG1 3.44Å; C14-I77 HydrophobicContact CB-CD1 4.34Å; C14-I77 HydrophobicContact CB-CG1 4.06Å; M16-I77 HydrophobicContact CE-CB 3.88Å; M16-I77 HydrophobicContact CE-CG2 3.5Å; M16-I77 VanDerWaalsContact CE-CG2 3.5Å; M16-I77 HydrophobicContact CG-CB 4.43Å; M16-I77 HydrophobicContact SD-CB 3.77Å; M16-I77 HydrophobicContact SD-CD1 4.48Å; M16-I77 HydrophobicContact SD-CG2 3.69Å; K21-I77 HydrophobicContact CB-CD1 4.38Å; K21-I77 HydrophobicContact CG-CD1 3.95Å; A24-I77 HydrophobicContact CB-CD1 4.32Å; A24-I77 HydrophobicContact CB-CG2 4.13Å; I77-L79 HydrophobicContact CD1-CD1 4.35Å; I77-L79 HydrophobicContact CD1-CD2 3.61Å; I77-L79 HydrophobicContact CD1-CG 4.05Å; I77-L79 HydrophobicContact CG1-CD2 3.86Å; I77-L79 HydrophobicContact CG1-CG 4.02Å; I77-L88 HydrophobicContact CG2-CB 3.93Å; I77-L88 HydrophobicContact CG2-CD2 4.29Å; I77-L88 PolarHBondContact N-O 3.29Å; I77-L88 PolarHBondContact O-N 3.06Å
78L98.3Very high96.5Very high17 Ų1746.3 Ų46.39%0.08927%0.265CS..EExtended strand (participates in β ladder)trans-113.9117.1169.7-18064.1000108.1V12 R13 F65 L85 V86 L87V12-L78 HydrophobicContact CB-CB 4.26Å; V12-L78 HydrophobicContact CB-CD2 3.89Å; V12-L78 HydrophobicContact CB-CG 3.87Å; V12-L78 WeakPolarHBondContact CB-O 3.47Å; V12-L78 HydrophobicContact CG1-CD2 3.72Å; V12-L78 HydrophobicContact CG1-CG 4.28Å; V12-L78 HydrophobicContact CG2-CG 4.34Å; V12-L78 PolarHBondContact N-O 3.23Å; R13-L78 HydrophobicContact CB-CB 4.13Å; R13-L78 PolarHBondContact N-O 3.08Å; R13-L78 PolarHBondContact O-N 2.99Å; F65-L78 HydrophobicContact CE2-CD1 4.24Å; F65-L78 HydrophobicContact CZ-CD1 3.89Å; L78-L85 HydrophobicContact CD1-CB 4.35Å; L78-L85 HydrophobicContact CD1-CD2 4.46Å; L78-V86 WeakPolarHBondContact CA-O 3.43Å; L78-L87 HydrophobicContact CB-CD1 4.3Å; L78-L87 HydrophobicContact CD1-CB 4.04Å; L78-L87 HydrophobicContact CD1-CD1 4.39Å
79L98.4Very high96.7Very high4 Ų441.1 Ų41.12%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-110.3152.4179.4-61.8173.8000110I9 S10 V11 M25 L28 I77 L85 V86I9-L79 HydrophobicContact CG2-CB 4.22Å; I9-L79 HydrophobicContact CG2-CD1 4.28Å; I9-L79 HydrophobicContact CG2-CD2 4.1Å; I9-L79 HydrophobicContact CG2-CG 4.43Å; S10-L79 CarbonylContact O-C 3.57Å; S10-L79 WeakPolarHBondContact O-CA 3.48Å; V11-L79 HydrophobicContact CB-CD2 4.3Å; V11-L79 HydrophobicContact CG2-CD2 3.7Å; M25-L79 HydrophobicContact CG-CD1 4.31Å; M25-L79 HydrophobicContact CG-CD2 4.12Å; L28-L79 HydrophobicContact CB-CD1 4.37Å; L28-L79 HydrophobicContact CD2-CB 3.79Å; L28-L79 HydrophobicContact CD2-CD1 3.58Å; L28-L79 HydrophobicContact CD2-CG 4.32Å; I77-L79 HydrophobicContact CD1-CD1 4.35Å; I77-L79 HydrophobicContact CD1-CD2 3.61Å; I77-L79 HydrophobicContact CD1-CG 4.05Å; I77-L79 HydrophobicContact CG1-CD2 3.86Å; I77-L79 HydrophobicContact CG1-CG 4.02Å; L79-L85 CarbonylContact O-C 3.6Å; L79-L85 WeakPolarHBondContact O-CA 3.18Å; L79-V86 HydrophobicContact CB-CB 4.39Å; L79-V86 PolarHBondContact N-O 2.91Å; L79-V86 PolarHBondContact O-N 2.6Å
80R97.7Very high96.8Very high124 Ų12439.5 Ų39.547%0.46822%0.215SC..EExtended strand (participates in β ladder)trans-123.2134.1168.9174.7-178.6-68.7-132.8-1.5109.7I9 S10 V12 F84 L85I9-R80 WeakPolarHBondContact CA-O 3.18Å; S10-R80 PolarHBondContact N-O 3.49Å; S10-R80 PolarHBondContact O-N 3.08Å; S10-R80 WeakPolarHBondContact OG-CB 3.49Å; S10-R80 PolarHBondContact OG-O 2.8Å; V12-R80 HydrophobicContact CG2-CB 3.86Å; R80-F84 WeakPolarHBondContact CA-O 3.49Å; R80-L85 HydrophobicContact CB-CD2 3.9Å; R80-L85 HydrophobicContact CG-CD2 4.31Å
81V96.9Very high96.8Very high0 Ų043 Ų430%022%0.215CC..EExtended strand (participates in β ladder)trans-141.1123.1175.257.10000108.1V4 I9 L28 M32 D83 F84V4-V81 HydrophobicContact CG1-CG2 3.67Å; V4-V81 HydrophobicContact CG2-CG2 4.24Å; I9-V81 HydrophobicContact CG1-CB 4.29Å; I9-V81 HydrophobicContact CG1-CG2 4.2Å; L28-V81 HydrophobicContact CD1-CG1 4.33Å; L28-V81 HydrophobicContact CD2-CG1 4.16Å; L28-V81 HydrophobicContact CG-CG1 4.5Å; M32-V81 HydrophobicContact CE-CG1 3.91Å; M32-V81 HydrophobicContact CE-CG2 4.43Å; M32-V81 HydrophobicContact CG-CG1 4.06Å; M32-V81 HydrophobicContact CG-CG2 4.37Å; M32-V81 HydrophobicContact SD-CG1 4Å; V81-D83 PolarHBondContact O-N 3.38Å; V81-F84 HydrophobicContact CG1-CB 4.27Å; V81-F84 PolarHBondContact N-O 3.37Å; V81-F84 WeakPolarHBondContact O-CA 3.03Å; V81-F84 WeakPolarHBondContact O-CB 3.36Å; V81-F84 PolarHBondContact O-N 3.4Å
82E93Very high96.4Very high90 Ų9044.2 Ų44.242%0.42125%0.247SC..THydrogen-bonded Turntrans50.1-125.9-170-56.7-179.817000110.8
83D93.8Very high96.5Very high122 Ų12243.8 Ų43.865%0.65225%0.247SC*.THydrogen-bonded Turntrans-90.13176.4-65.5-32.7000113.5K63 V81K63-D83 VanDerWaalsContact CA-O 3.31Å; K63-D83 WeakPolarHBondContact CA-O 3.49Å; V81-D83 PolarHBondContact O-N 3.38Å
84F96.5Very high96.6Very high25 Ų2541.8 Ų41.811%0.1122%0.224CC..EExtended strand (participates in β ladder)trans-98.1140.8-177.1-62.3-85.1000112.3M32 E38 V61 K63 R80 V81M32-F84 HydrophobicContact CE-CD2 3.98Å; M32-F84 HydrophobicContact CE-CE2 4.4Å; E38-F84 HydrophobicContact CG-CD1 4.04Å; E38-F84 HydrophobicContact CG-CE1 3.6Å; E38-F84 WeakPolarHBondContact OE1-CE1 3.47Å; V61-F84 HydrophobicContact CG1-CD1 4.44Å; K63-F84 HydrophobicContact CD-CE1 4.27Å; K63-F84 VanDerWaalsContact CE-CZ 3.5Å; K63-F84 HydrophobicContact CG-CD1 3.75Å; K63-F84 HydrophobicContact CG-CE1 3.59Å; K63-F84 HydrophobicContact CG-CG 4.5Å; K63-F84 HydrophobicContact CG-CZ 4.23Å; R80-F84 WeakPolarHBondContact CA-O 3.49Å; V81-F84 HydrophobicContact CG1-CB 4.27Å; V81-F84 PolarHBondContact N-O 3.37Å; V81-F84 WeakPolarHBondContact O-CA 3.03Å; V81-F84 WeakPolarHBondContact O-CB 3.36Å; V81-F84 PolarHBondContact O-N 3.4Å
85L98.1Very high96.8Very high21 Ų2140.8 Ų40.811%0.1121%0.214CC..EExtended strand (participates in β ladder)trans-100.6142.6163-69.6175.9000109.4V12 V61 G62 F65 L78 L79 R80V12-L85 HydrophobicContact CG2-CD2 4.32Å; V61-L85 WeakPolarHBondContact CA-O 3.3Å; G62-L85 PolarHBondContact N-O 2.86Å; G62-L85 VanDerWaalsContact N-O 3.1Å; G62-L85 PolarHBondContact O-N 2.8Å; F65-L85 HydrophobicContact CD1-CB 4.05Å; F65-L85 HydrophobicContact CE1-CB 3.26Å; F65-L85 HydrophobicContact CE1-CD1 4.37Å; F65-L85 HydrophobicContact CE1-CG 4.44Å; F65-L85 WeakPolarHBondContact CE1-O 3.09Å; F65-L85 HydrophobicContact CZ-CB 3.61Å; F65-L85 HydrophobicContact CZ-CD1 4.5Å; L78-L85 HydrophobicContact CD1-CB 4.35Å; L78-L85 HydrophobicContact CD1-CD2 4.46Å; L79-L85 CarbonylContact O-C 3.6Å; L79-L85 WeakPolarHBondContact O-CA 3.18Å; R80-L85 HydrophobicContact CB-CD2 3.9Å; R80-L85 HydrophobicContact CG-CD2 4.31Å
86V98.5Very high96.7Very high2 Ų240.6 Ų40.61%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-130.6109.7176.8-177.80000109L28 I45 I60 V61 L78 L79L28-V86 HydrophobicContact CD1-CB 4.4Å; L28-V86 HydrophobicContact CD1-CG1 4.35Å; L28-V86 HydrophobicContact CD1-CG2 3.74Å; L28-V86 HydrophobicContact CD2-CB 4.33Å; L28-V86 HydrophobicContact CD2-CG2 4.17Å; I45-V86 HydrophobicContact CD1-CG1 4.06Å; I60-V86 CarbonylContact O-C 3.59Å; I60-V86 WeakPolarHBondContact O-CA 3.47Å; V61-V86 HydrophobicContact CG1-CG2 4.26Å; V61-V86 HydrophobicContact CG2-CG1 4.09Å; V61-V86 HydrophobicContact CG2-CG2 4.09Å; L78-V86 WeakPolarHBondContact CA-O 3.43Å; L79-V86 HydrophobicContact CB-CB 4.39Å; L79-V86 PolarHBondContact N-O 2.91Å; L79-V86 PolarHBondContact O-N 2.6Å
87L98.6Very high96.7Very high4 Ų442.8 Ų42.82%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-97.9122.3172.7179.566.7000108.6C59 I60 F65 C67 V69 L78 F89C59-L87 CarbonylContact C-O 3.57Å; C59-L87 VanDerWaalsContact CA-O 3.3Å; C59-L87 WeakPolarHBondContact CA-O 3.06Å; I60-L87 HydrophobicContact CB-CB 4.35Å; I60-L87 HydrophobicContact CD1-CD2 4.34Å; I60-L87 PolarHBondContact N-O 3.41Å; I60-L87 PolarHBondContact O-N 3.49Å; F65-L87 HydrophobicContact CE2-CB 4.04Å; F65-L87 HydrophobicContact CE2-CD2 4.49Å; F65-L87 HydrophobicContact CZ-CB 3.86Å; C67-L87 HydrophobicContact CB-CD2 4.01Å; V69-L87 HydrophobicContact CG2-CD2 4.13Å; L78-L87 HydrophobicContact CB-CD1 4.3Å; L78-L87 HydrophobicContact CD1-CB 4.04Å; L78-L87 HydrophobicContact CD1-CD1 4.39Å; L87-F89 HydrophobicContact CD2-CD1 3.96Å; L87-F89 HydrophobicContact CD2-CE1 4.01Å; L87-F89 HydrophobicContact CG-CD1 3.84Å; L87-F89 HydrophobicContact CG-CE1 4.32Å
88L98.7Very high96.5Very high4 Ų445.5 Ų45.52%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-124.1120.8174.9173.468.9000108.3M16 A24 I45 F49 W57 H58 C59 C76 I77M16-L88 HydrophobicContact CE-CD2 4.33Å; M16-L88 HydrophobicContact CE-CG 4.38Å; A24-L88 HydrophobicContact CB-CD2 4.19Å; I45-L88 HydrophobicContact CG2-CD1 3.96Å; I45-L88 HydrophobicContact CG2-CD2 3.96Å; I45-L88 HydrophobicContact CG2-CG 4.45Å; F49-L88 HydrophobicContact CB-CD1 4.42Å; F49-L88 HydrophobicContact CD1-CD2 3.87Å; F49-L88 HydrophobicContact CD2-CD1 4.47Å; F49-L88 HydrophobicContact CD2-CD2 3.62Å; F49-L88 HydrophobicContact CE1-CD2 3.74Å; F49-L88 HydrophobicContact CE2-CD2 3.51Å; F49-L88 HydrophobicContact CG-CD1 4.24Å; F49-L88 HydrophobicContact CG-CD2 3.82Å; F49-L88 HydrophobicContact CZ-CD2 3.58Å; W57-L88 HydrophobicContact CD2-CD1 4.48Å; W57-L88 HydrophobicContact CE3-CD1 3.7Å; W57-L88 HydrophobicContact CE3-CD2 4.47Å; W57-L88 HydrophobicContact CE3-CG 3.81Å; W57-L88 HydrophobicContact CZ3-CD1 4.35Å; W57-L88 HydrophobicContact CZ3-CD2 4.41Å; W57-L88 HydrophobicContact CZ3-CG 3.94Å; H58-L88 WeakPolarHBondContact O-CA 3.4Å; C59-L88 HydrophobicContact CB-CD1 4.16Å; C76-L88 WeakPolarHBondContact CA-O 3.33Å; I77-L88 HydrophobicContact CG2-CB 3.93Å; I77-L88 HydrophobicContact CG2-CD2 4.29Å; I77-L88 PolarHBondContact N-O 3.29Å; I77-L88 PolarHBondContact O-N 3.06Å
89F98.4Very high96.4Very high19 Ų1947.6 Ų47.68%0.08325%0.25CS..EExtended strand (participates in β ladder)trans-148158.3-178.369.2-77.9000112.5H58 I60 V69 F71 H75 C76 L87H58-F89 HydrophobicContact CB-CD1 3.99Å; H58-F89 HydrophobicContact CB-CD2 4.33Å; H58-F89 HydrophobicContact CB-CE1 3.56Å; H58-F89 HydrophobicContact CB-CE2 3.92Å; H58-F89 HydrophobicContact CB-CG 4.38Å; H58-F89 HydrophobicContact CB-CZ 3.53Å; H58-F89 AromaticContact CD2-CE2 3.87Å; H58-F89 AromaticContact CG-CE2 4Å; H58-F89 AromaticContact CG-CZ 3.95Å; H58-F89 PolarHBondContact N-O 2.88Å; H58-F89 PolarHBondContact O-N 2.96Å; I60-F89 HydrophobicContact CD1-CE1 4.43Å; V69-F89 HydrophobicContact CB-CE2 4.36Å; V69-F89 HydrophobicContact CB-CZ 4.36Å; V69-F89 HydrophobicContact CG1-CZ 4.3Å; F71-F89 HydrophobicContact CB-CB 4.01Å; F71-F89 HydrophobicContact CB-CD2 3.97Å; F71-F89 HydrophobicContact CB-CG 4.42Å; H75-F89 CarbonylContact O-C 3.5Å; H75-F89 WeakPolarHBondContact O-CA 3.14Å; C76-F89 HydrophobicContact CB-CB 4.06Å; L87-F89 HydrophobicContact CD2-CD1 3.96Å; L87-F89 HydrophobicContact CD2-CE1 4.01Å; L87-F89 HydrophobicContact CG-CD1 3.84Å; L87-F89 HydrophobicContact CG-CE1 4.32Å
90K97.8Very high96.3Very high20 Ų2050.9 Ų50.99%0.08727%0.268CS..EExtended strand (participates in β ladder)trans-108.4135.3175.3-162.3-177165.3152.10110.6H54 T55 W57 F71 E72 H75H54-K90 PolarHBondContact O-NZ 3.01Å; T55-K90 WeakPolarHBondContact O-CE 3.32Å; T55-K90 PolarHBondContact O-NZ 2.92Å; W57-K90 HydrophobicContact CD2-CB 4.04Å; W57-K90 HydrophobicContact CD2-CG 4.33Å; W57-K90 HydrophobicContact CE3-CB 4.05Å; W57-K90 HydrophobicContact CH2-CB 4.33Å; W57-K90 HydrophobicContact CZ2-CB 4.31Å; W57-K90 HydrophobicContact CZ2-CD 4.37Å; W57-K90 HydrophobicContact CZ3-CB 4.19Å; F71-K90 CarbonylContact C-O 3.52Å; F71-K90 VanDerWaalsContact CA-O 3.24Å; F71-K90 WeakPolarHBondContact CA-O 3.41Å; F71-K90 WeakPolarHBondContact CB-O 3.24Å; E72-K90 PolarHBondContact N-O 2.85Å; E72-K90 WeakPolarHBondContact OE1-CD 3.16Å; E72-K90 WeakPolarHBondContact OE1-CE 3.44Å; E72-K90 VanDerWaalsContact OE1-CG 3.24Å; E72-K90 WeakPolarHBondContact OE1-CG 3.19Å; E72-K90 WeakPolarHBondContact OE2-CD 3.24Å; E72-K90 WeakPolarHBondContact OE2-CE 3.38Å; H75-K90 HydrophobicContact CB-CB 3.57Å; H75-K90 PolarHBondContact O-N 3.02Å
91Y95Very high96.1Very high138 Ų13844.8 Ų44.854%0.54125%0.251SS..  trans-155.5123.7173.3-175.6-90.8000109.3H56 H58 A70H56-Y91 PolarHBondContact O-N 2.87Å; H58-Y91 PolarHBondContact NE2-O 2.85Å; A70-Y91 HydrophobicContact CB-CD2 3.99Å; A70-Y91 HydrophobicContact CB-CE2 3.66Å; A70-Y91 WeakPolarHBondContact O-CD2 3.36Å
92G88.4Confident96.1Very high93 Ų9348.9 Ų48.996%0.95927%0.274SS*.  trans136.70-176.900000110.1

Retrieved 92 of 92 residues in 254.3 ms (Link to these results)

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