G4VMK4_SCHMA Loading...

Putative thioredoxin-like protein

AlphaFold DB , UniProt , Accession G4VMK4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 303 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
1M35Very low81.7Confident246 Ų24680.1 Ų80.1100%1.21244%0.444SS*.  0120.10-69.9-159.3-82.400106.9
2A50.3Low82.8Confident87 Ų8777.3 Ų77.372%0.71942%0.424SS*.  cis-107.8-178.5-12.600000108.7
3T72.2Confident83.6Confident30 Ų3071.5 Ų71.518%0.18439%0.393CS..  trans-161.3-10.4152.519.60000116.5I5 S53 F61T3-I5 PolarHBondContact O-N 3.39Å; T3-S53 PolarHBondContact OG1-O 2.81Å; T3-F61 VanDerWaalsContact O-O 3.13Å
4V90.6Very high84.2Confident24 Ų2470.4 Ų70.415%0.14538%0.384CS..EExtended strand (participates in β ladder)trans-73.5113.8165.3-1790000109F49 S53 F61 K63V4-F49 HydrophobicContact CG1-CD1 4.35Å; V4-F49 HydrophobicContact CG1-CE1 4.06Å; V4-F49 HydrophobicContact CG2-CD1 3.96Å; V4-F49 HydrophobicContact CG2-CE1 4.11Å; V4-S53 WeakPolarHBondContact CG2-OG 3.36Å; V4-F61 CarbonylContact C-O 3.6Å; V4-F61 WeakPolarHBondContact CA-O 3.48Å; V4-F61 HydrophobicContact CG2-CB 4.3Å; V4-K63 HydrophobicContact CG1-CB 4.12Å; V4-K63 HydrophobicContact CG1-CD 3.65Å; V4-K63 HydrophobicContact CG1-CG 3.48Å; V4-K63 VanDerWaalsContact CG1-CG 3.48Å
5I93.7Very high84.6Confident44 Ų4472.5 Ų72.523%0.22639%0.39CS..EExtended strand (participates in β ladder)trans-95.7123.6179.3-54.5164.7000107.5T3 I16 K60 F61 V62 K63T3-I5 PolarHBondContact O-N 3.39Å; I5-I16 HydrophobicContact CB-CD1 4.3Å; I5-I16 HydrophobicContact CD1-CD1 4.42Å; I5-I16 HydrophobicContact CD1-CG1 4.42Å; I5-I16 HydrophobicContact CD1-CG2 4.29Å; I5-I16 HydrophobicContact CG2-CD1 3.57Å; I5-I16 HydrophobicContact CG2-CG1 4.42Å; I5-K60 HydrophobicContact CD1-CD 4.38Å; I5-F61 PolarHBondContact N-O 3.17Å; I5-V62 CarbonylContact O-C 3.6Å; I5-V62 VanDerWaalsContact O-CA 3.26Å; I5-V62 WeakPolarHBondContact O-CA 3.5Å; I5-K63 PolarHBondContact O-N 3.23Å
6N94.8Very high85Confident91 Ų9168.2 Ų68.249%0.48737%0.366SS..EExtended strand (participates in β ladder)trans-87.5130.1166.4-61.6-75.5000107.6K63N6-K63 WeakPolarHBondContact OD1-CB 3.2Å
7I94.2Very high85.3Confident10 Ų1065.2 Ų65.25%0.05135%0.35CS..PPolyproline II helixtrans-71.3152.9175.569.5167.6000110.3L13 I16 V62 K63 I64 H69 V72I7-L13 HydrophobicContact CD1-CB 4.44Å; I7-L13 HydrophobicContact CG2-CB 4.12Å; I7-L13 HydrophobicContact CG2-CD1 4.22Å; I7-I16 HydrophobicContact CG2-CD1 4.12Å; I7-V62 HydrophobicContact CG2-CG1 3.27Å; I7-K63 PolarHBondContact N-O 3.27Å; I7-I64 HydrophobicContact CD1-CB 4.38Å; I7-I64 HydrophobicContact CD1-CD1 4.5Å; I7-I64 HydrophobicContact CD1-CG1 3.96Å; I7-I64 HydrophobicContact CD1-CG2 3.89Å; I7-I64 HydrophobicContact CG1-CG1 4.25Å; I7-I64 HydrophobicContact CG2-CG1 4.34Å; I7-H69 HydrophobicContact CD1-CB 4.07Å; I7-H69 PolarHBondContact O-NE2 3.37Å; I7-V72 HydrophobicContact CD1-CG1 4.49Å; I7-V72 HydrophobicContact CD1-CG2 4.17Å
8T91.4Very high85.4Confident93 Ų9368.1 Ų68.157%0.57136%0.361SS*.SBendtrans-101.2-30.4174.852.20000111.5H12 H69T8-H12 PolarHBondContact N-ND1 3.21Å; T8-H12 VanDerWaalsContact N-ND1 3.15Å; T8-H12 VanDerWaalsContact OG1-CB 3.23Å; T8-H12 WeakPolarHBondContact OG1-CB 3.34Å; T8-H12 PolarHBondContact OG1-ND1 2.98Å; T8-H69 PolarHBondContact O-CE1 3.14Å; T8-H69 VanDerWaalsContact O-CE1 3.28Å
9D92.1Very high85.3Confident67 Ų6770.6 Ų70.636%0.35837%0.371SS..SBendtrans-167.9178.6-17955.266.7000109N11 H12 L13D9-N11 VanDerWaalsContact C-N 3.34Å; D9-N11 PolarHBondContact O-N 3.35Å; D9-N11 WeakPolarHBondContact OD1-CA 3.37Å; D9-N11 VanDerWaalsContact OD1-CB 3.3Å; D9-N11 WeakPolarHBondContact OD1-CB 3.48Å; D9-N11 PolarHBondContact OD1-N 3.48Å; D9-H12 PolarHBondContact O-N 3.35Å; D9-H12 PolarHBondContact OD1-N 3.5Å; D9-L13 PolarHBondContact O-N 3.44Å
10K91Very high85Confident84 Ų8467.3 Ų67.337%0.36535%0.353SS..Hα-helixtrans-61.2-36.8178.1-179.3-176.6171.8-1710113.6L13 E14 V72K10-L13 PolarHBondContact O-N 3.23Å; K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 WeakPolarHBondContact O-CG 3.35Å; K10-E14 PolarHBondContact O-N 3.31Å; K10-E14 VanDerWaalsContact O-N 3.09Å; K10-V72 HydrophobicContact CB-CG2 4.03Å; K10-V72 HydrophobicContact CG-CG2 4.35Å
11N93.4Very high84.2Confident105 Ų10567.5 Ų67.556%0.56136%0.355SS*.Hα-helixtrans-69.3-37.9-179.1-65.4-27.1000110.7D9 L13 E14 Q15D9-N11 VanDerWaalsContact C-N 3.34Å; D9-N11 PolarHBondContact O-N 3.35Å; D9-N11 WeakPolarHBondContact OD1-CA 3.37Å; D9-N11 VanDerWaalsContact OD1-CB 3.3Å; D9-N11 WeakPolarHBondContact OD1-CB 3.48Å; D9-N11 PolarHBondContact OD1-N 3.48Å; N11-L13 VanDerWaalsContact C-N 3.33Å; N11-L13 PolarHBondContact O-N 2.86Å; N11-E14 PolarHBondContact O-N 3.33Å; N11-Q15 WeakPolarHBondContact O-CG 3.23Å; N11-Q15 PolarHBondContact O-N 2.84Å
12H94.5Very high85.4Confident46 Ų4662.1 Ų62.121%0.21333%0.331CS..Hα-helixtrans-61.8-40.7173.7-177.3-167.3000111.4T8 D9 E14 Q15 I16T8-H12 PolarHBondContact N-ND1 3.21Å; T8-H12 VanDerWaalsContact N-ND1 3.15Å; T8-H12 VanDerWaalsContact OG1-CB 3.23Å; T8-H12 WeakPolarHBondContact OG1-CB 3.34Å; T8-H12 PolarHBondContact OG1-ND1 2.98Å; D9-H12 PolarHBondContact O-N 3.35Å; D9-H12 PolarHBondContact OD1-N 3.5Å; H12-E14 PolarHBondContact O-N 2.9Å; H12-Q15 PolarHBondContact O-N 3.47Å; H12-I16 VanDerWaalsContact O-CG1 3.3Å; H12-I16 WeakPolarHBondContact O-CG1 3.26Å; H12-I16 PolarHBondContact O-N 3.15Å
13L93.6Very high85.9Confident2 Ų261.1 Ų61.11%0.0132%0.316CS..Hα-helixtrans-60.1-45172.7178.660000111.9I7 D9 K10 N11 Q15 I16 I17 M32 V62 I64 V72 Y76I7-L13 HydrophobicContact CD1-CB 4.44Å; I7-L13 HydrophobicContact CG2-CB 4.12Å; I7-L13 HydrophobicContact CG2-CD1 4.22Å; D9-L13 PolarHBondContact O-N 3.44Å; K10-L13 PolarHBondContact O-N 3.23Å; N11-L13 VanDerWaalsContact C-N 3.33Å; N11-L13 PolarHBondContact O-N 2.86Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.2Å; L13-I16 PolarHBondContact O-N 3.28Å; L13-I17 HydrophobicContact CD1-CD1 4.1Å; L13-I17 HydrophobicContact CD1-CG1 4.31Å; L13-I17 HydrophobicContact CG-CD1 3.95Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 2.97Å; L13-M32 HydrophobicContact CD1-SD 3.9Å; L13-M32 HydrophobicContact CD2-SD 4.15Å; L13-V62 HydrophobicContact CD1-CG1 4.2Å; L13-I64 HydrophobicContact CD1-CD1 4.48Å; L13-I64 HydrophobicContact CD2-CD1 4.14Å; L13-V72 HydrophobicContact CD2-CG1 3.46Å; L13-V72 VanDerWaalsContact CD2-CG1 3.46Å; L13-Y76 HydrophobicContact CD2-CE2 3.98Å
14E91.5Very high84.8Confident57 Ų5765.9 Ų65.927%0.26635%0.345SS..Hα-helixtrans-62.4-39.1178.1-70.5177.7176.400112.1K10 N11 H12 I17 Q18 R75K10-E14 WeakPolarHBondContact CE-OE1 3.3Å; K10-E14 WeakPolarHBondContact O-CG 3.35Å; K10-E14 PolarHBondContact O-N 3.31Å; K10-E14 VanDerWaalsContact O-N 3.09Å; N11-E14 PolarHBondContact O-N 3.33Å; H12-E14 PolarHBondContact O-N 2.9Å; E14-I17 PolarHBondContact O-N 3.26Å; E14-Q18 WeakPolarHBondContact O-CB 3.42Å; E14-Q18 VanDerWaalsContact O-CG 3.26Å; E14-Q18 WeakPolarHBondContact O-CG 3.46Å; E14-Q18 PolarHBondContact O-N 3.09Å; E14-R75 IonicContact OE1-CZ 2.65Å; E14-R75 IonicContact OE1-NH1 3.04Å; E14-R75 PolarHBondContact OE1-NH1 3.38Å; E14-R75 IonicContact OE1-NH2 2.71Å
15Q91.2Very high82.9Confident102 Ų10272.1 Ų72.148%0.47738%0.378SS..Hα-helixtrans-62.9-42.4173.2-71.6171.5-3.700112.1N11 H12 L13 I17 Q18 Q19N11-Q15 WeakPolarHBondContact O-CG 3.23Å; N11-Q15 PolarHBondContact O-N 2.84Å; H12-Q15 PolarHBondContact O-N 3.47Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.2Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; Q15-I17 PolarHBondContact O-N 2.84Å; Q15-Q18 PolarHBondContact O-N 3.03Å; Q15-Q19 WeakPolarHBondContact O-CB 3.05Å; Q15-Q19 WeakPolarHBondContact O-CG 3.35Å; Q15-Q19 PolarHBondContact O-N 3.38Å
16I91.1Very high81Confident3 Ų371.2 Ų71.22%0.01538%0.379CS..Hα-helixtrans-61.8-44.6176.7-66.2161.3000110.5I5 I7 H12 L13 Q19 A20 K60 V62I5-I16 HydrophobicContact CB-CD1 4.3Å; I5-I16 HydrophobicContact CD1-CD1 4.42Å; I5-I16 HydrophobicContact CD1-CG1 4.42Å; I5-I16 HydrophobicContact CD1-CG2 4.29Å; I5-I16 HydrophobicContact CG2-CD1 3.57Å; I5-I16 HydrophobicContact CG2-CG1 4.42Å; I7-I16 HydrophobicContact CG2-CD1 4.12Å; H12-I16 VanDerWaalsContact O-CG1 3.3Å; H12-I16 WeakPolarHBondContact O-CG1 3.26Å; H12-I16 PolarHBondContact O-N 3.15Å; L13-I16 PolarHBondContact O-N 3.28Å; I16-Q19 PolarHBondContact O-N 2.72Å; I16-A20 PolarHBondContact O-N 3.47Å; I16-K60 HydrophobicContact CG2-CB 4.2Å; I16-K60 HydrophobicContact CG2-CG 4.44Å; I16-V62 HydrophobicContact CD1-CG1 4.38Å; I16-V62 HydrophobicContact CD1-CG2 4.3Å; I16-V62 HydrophobicContact CG2-CG2 3.81Å
17I89.7Confident79.1Confident17 Ų1767.3 Ų67.39%0.08736%0.359CS..Hα-helixtrans-62.5-44.1178.3-66.9166.7000110.7L13 E14 Q15 A20 N21 V30 L87 G89L13-I17 HydrophobicContact CD1-CD1 4.1Å; L13-I17 HydrophobicContact CD1-CG1 4.31Å; L13-I17 HydrophobicContact CG-CD1 3.95Å; L13-I17 WeakPolarHBondContact O-CG1 3.3Å; L13-I17 PolarHBondContact O-N 2.97Å; E14-I17 PolarHBondContact O-N 3.26Å; Q15-I17 VanDerWaalsContact C-N 3.35Å; Q15-I17 PolarHBondContact O-N 2.84Å; I17-A20 PolarHBondContact O-N 3.2Å; I17-N21 PolarHBondContact O-N 3.45Å; I17-N21 PolarHBondContact O-ND2 2.97Å; I17-V30 HydrophobicContact CG1-CG2 4.38Å; I17-L87 HydrophobicContact CD1-CD1 3.57Å; I17-L87 HydrophobicContact CG1-CD1 3.92Å; I17-G89 VanDerWaalsContact CG2-O 3.29Å; I17-G89 WeakPolarHBondContact CG2-O 3.24Å
18Q86.2Confident78.5Confident118 Ų11868 Ų6855%0.55136%0.364SS*.Hα-helixtrans-64.1-41.9176.1-72171.110.800112.2E14 Q15 A20 N21E14-Q18 WeakPolarHBondContact O-CB 3.42Å; E14-Q18 VanDerWaalsContact O-CG 3.26Å; E14-Q18 WeakPolarHBondContact O-CG 3.46Å; E14-Q18 PolarHBondContact O-N 3.09Å; Q15-Q18 PolarHBondContact O-N 3.03Å; Q18-A20 VanDerWaalsContact C-N 3.32Å; Q18-A20 PolarHBondContact O-N 3.46Å; Q18-N21 WeakPolarHBondContact O-CB 3.26Å; Q18-N21 PolarHBondContact O-N 3.39Å
19Q83.4Confident78.4Confident116 Ų11663.6 Ų63.654%0.54234%0.337SS..Hα-helixtrans-64.6-35.6177.6-74.8171.413.400112.4Q15 I16 N21 N22Q15-Q19 WeakPolarHBondContact O-CB 3.05Å; Q15-Q19 WeakPolarHBondContact O-CG 3.35Å; Q15-Q19 PolarHBondContact O-N 3.38Å; I16-Q19 PolarHBondContact O-N 2.72Å; Q19-N21 PolarHBondContact O-N 3.32Å; Q19-N22 PolarHBondContact O-N 2.74Å
20A79.6Confident78.5Confident3 Ų360.4 Ų60.43%0.02532%0.32CS..Hα-helixtrans-62-31.9175.900000112.2I16 I17 Q18 N22 S28 V30 K60I16-A20 PolarHBondContact O-N 3.47Å; I17-A20 PolarHBondContact O-N 3.2Å; Q18-A20 VanDerWaalsContact C-N 3.32Å; Q18-A20 PolarHBondContact O-N 3.46Å; A20-N22 VanDerWaalsContact C-N 3.32Å; A20-N22 PolarHBondContact O-N 2.94Å; A20-S28 WeakPolarHBondContact O-CB 3.48Å; A20-S28 PolarHBondContact O-OG 3.09Å; A20-V30 HydrophobicContact CB-CG2 3.58Å; A20-K60 HydrophobicContact CB-CG 4.2Å
21N69Low78.8Confident73 Ų7356.4 Ų56.439%0.3930%0.303SS..Hα-helixtrans-73.4-19.3178.3-68.8-30.7000114.4I17 Q18 Q19 V23 G89I17-N21 PolarHBondContact O-N 3.45Å; I17-N21 PolarHBondContact O-ND2 2.97Å; Q18-N21 WeakPolarHBondContact O-CB 3.26Å; Q18-N21 PolarHBondContact O-N 3.39Å; Q19-N21 PolarHBondContact O-N 3.32Å; N21-V23 VanDerWaalsContact C-N 3.31Å; N21-V23 PolarHBondContact O-N 3.37Å; N21-G89 WeakPolarHBondContact OD1-CA 3.4Å; N21-G89 PolarHBondContact OD1-N 3.42Å
22N60.5Low79Confident133 Ų13351.4 Ų51.471%0.71128%0.276SS*.THydrogen-bonded Turntrans-92.112.1-176.3-67.7-20.2000113.1Q19 A20Q19-N22 PolarHBondContact O-N 2.74Å; A20-N22 VanDerWaalsContact C-N 3.32Å; A20-N22 PolarHBondContact O-N 2.94Å
23V59.7Low79.2Confident65 Ų6549.2 Ų49.239%0.39427%0.266SS..  trans-86.1113.3179.8-176.70000109.2N21 N25N21-V23 VanDerWaalsContact C-N 3.31Å; N21-V23 PolarHBondContact O-N 3.37Å; V23-N25 VanDerWaalsContact C-N 3.29Å; V23-N25 PolarHBondContact O-N 3Å
24T49.5Very low79.4Confident130 Ų13049.1 Ų49.180%0.79827%0.266SS*.THydrogen-bonded Turntrans-75-7.2-174.335.80000115.3
25N50.3Low79.7Confident155 Ų15548.2 Ų48.283%0.82926%0.26SS*.THydrogen-bonded Turntrans-14454.4-172.2-78-34.2000113.8V23V23-N25 VanDerWaalsContact C-N 3.29Å; V23-N25 PolarHBondContact O-N 3Å
26G53.9Low79.9Confident25 Ų2543.4 Ų43.426%0.25824%0.238SC..SBendtrans163.9171.8169.100000114.6S28G26-S28 PolarHBondContact O-N 3.47Å; G26-S28 VanDerWaalsContact O-N 3.09Å
27P55.8Low80Confident10 Ų1047.6 Ų47.67%0.06527%0.267CS..  trans-59.2114.9178.116.5-24.3000111.1I29 N58 G115P27-I29 HydrophobicContact CB-CD1 3.83Å; P27-I29 HydrophobicContact CB-CG1 3.96Å; P27-I29 PolarHBondContact O-N 3.44Å; P27-N58 WeakPolarHBondContact CD-ND2 3.44Å; P27-N58 WeakPolarHBondContact CG-ND2 3.35Å; P27-G115 VanDerWaalsContact CB-CA 3.49Å
28S80.5Confident80.2Confident23 Ų2355 Ų5516%0.16129%0.294CS..  trans-68.969.4171.9-63.60000111.9A20 G26 R88 G89A20-S28 WeakPolarHBondContact O-CB 3.48Å; A20-S28 PolarHBondContact O-OG 3.09Å; G26-S28 PolarHBondContact O-N 3.47Å; G26-S28 VanDerWaalsContact O-N 3.09Å; S28-R88 WeakPolarHBondContact O-CA 3.28Å; S28-G89 PolarHBondContact O-N 3.02Å
29I91Very high80.5Confident1 Ų149.9 Ų49.91%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-111.1130.4-175.1-64179.7000111.6P27 V31 M59 K60 L87 I93 L111P27-I29 HydrophobicContact CB-CD1 3.83Å; P27-I29 HydrophobicContact CB-CG1 3.96Å; P27-I29 PolarHBondContact O-N 3.44Å; I29-V31 HydrophobicContact CG2-CG2 4.19Å; I29-M59 HydrophobicContact CB-CE 4.24Å; I29-M59 HydrophobicContact CB-CG 4.15Å; I29-M59 HydrophobicContact CD1-CE 4.08Å; I29-M59 HydrophobicContact CG2-CE 4.2Å; I29-M59 HydrophobicContact CG2-CG 4.44Å; I29-M59 HydrophobicContact CG2-SD 4.26Å; I29-M59 WeakPolarHBondContact O-CA 3.43Å; I29-K60 PolarHBondContact O-N 3.3Å; I29-L87 VanDerWaalsContact CA-O 3.25Å; I29-L87 WeakPolarHBondContact CA-O 3.4Å; I29-I93 HydrophobicContact CD1-CD1 4.2Å; I29-L111 HydrophobicContact CD1-CB 3.73Å; I29-L111 HydrophobicContact CD1-CD2 4.32Å; I29-L111 HydrophobicContact CD1-CG 4.42Å; I29-L111 HydrophobicContact CG2-CD1 4.41Å
30V94.3Very high80.9Confident0 Ų052.8 Ų52.80%028%0.277CS..EExtended strand (participates in β ladder)trans-109.9123.4171.6-174.20000108.6I17 A20 M32 K60 V62 F86 L87I17-V30 HydrophobicContact CG1-CG2 4.38Å; A20-V30 HydrophobicContact CB-CG2 3.58Å; V30-M32 HydrophobicContact CG1-CG 4.06Å; V30-K60 CarbonylContact C-O 3.49Å; V30-K60 WeakPolarHBondContact CA-O 2.88Å; V30-K60 HydrophobicContact CG1-CB 4.41Å; V30-K60 HydrophobicContact CG2-CB 4.27Å; V30-V62 HydrophobicContact CG1-CG2 3.7Å; V30-F86 WeakPolarHBondContact O-CA 3.29Å; V30-L87 HydrophobicContact CB-CB 4.28Å; V30-L87 PolarHBondContact N-O 3.3Å; V30-L87 PolarHBondContact O-N 3.28Å
31V96.7Very high81.6Confident0 Ų055.6 Ų55.60%030%0.296CS..EExtended strand (participates in β ladder)trans-105.5113.9175.1-167.80000108I29 F49 M59 K60 F61 V62 F86 V108I29-V31 HydrophobicContact CG2-CG2 4.19Å; V31-F49 HydrophobicContact CB-CE2 4.41Å; V31-F49 HydrophobicContact CG1-CE2 3.81Å; V31-F49 HydrophobicContact CG1-CZ 4.47Å; V31-M59 HydrophobicContact CG2-SD 4.22Å; V31-K60 PolarHBondContact N-O 2.88Å; V31-F61 HydrophobicContact CB-CD1 4.03Å; V31-F61 HydrophobicContact CB-CE1 4.12Å; V31-F61 HydrophobicContact CB-CG 4.5Å; V31-F61 HydrophobicContact CG1-CD1 4.41Å; V31-F61 HydrophobicContact CG1-CE1 4.35Å; V31-F61 HydrophobicContact CG2-CD1 4.42Å; V31-F61 HydrophobicContact CG2-CE1 4.1Å; V31-F61 HydrophobicContact CG2-CZ 4.24Å; V31-F61 CarbonylContact O-C 3.43Å; V31-F61 WeakPolarHBondContact O-CA 3.44Å; V31-V62 PolarHBondContact O-N 3.3Å; V31-F86 HydrophobicContact CB-CD1 4.36Å; V31-F86 HydrophobicContact CB-CE1 4.43Å; V31-F86 HydrophobicContact CG1-CD1 3.84Å; V31-F86 HydrophobicContact CG1-CE1 3.54Å; V31-F86 HydrophobicContact CG1-CZ 4.14Å; V31-F86 HydrophobicContact CG2-CD1 3.9Å; V31-F86 HydrophobicContact CG2-CE1 4.1Å; V31-V108 HydrophobicContact CG1-CG2 4.45Å; V31-V108 HydrophobicContact CG2-CG2 4.43Å
32M97.6Very high82.9Confident0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-102126.1-179-61.2-176.4-65.600110.2L13 V30 F34 V62 I64 Y76 F84 I85 L87L13-M32 HydrophobicContact CD1-SD 3.9Å; L13-M32 HydrophobicContact CD2-SD 4.15Å; V30-M32 HydrophobicContact CG1-CG 4.06Å; M32-F34 HydrophobicContact CB-CD2 4.32Å; M32-F34 HydrophobicContact CB-CE2 3.81Å; M32-F34 HydrophobicContact CE-CE2 4.16Å; M32-F34 HydrophobicContact CE-CZ 4.43Å; M32-F34 HydrophobicContact SD-CE2 4.41Å; M32-F34 HydrophobicContact SD-CZ 4.45Å; M32-V62 CarbonylContact C-O 3.5Å; M32-V62 WeakPolarHBondContact CA-O 3.2Å; M32-V62 HydrophobicContact CG-CB 4.38Å; M32-I64 HydrophobicContact CB-CD1 3.97Å; M32-I64 HydrophobicContact CG-CD1 4.09Å; M32-I64 HydrophobicContact SD-CD1 3.85Å; M32-Y76 HydrophobicContact CE-CD1 4.01Å; M32-Y76 HydrophobicContact CE-CD2 4.41Å; M32-Y76 HydrophobicContact CE-CE1 3.64Å; M32-Y76 HydrophobicContact CE-CE2 4.06Å; M32-Y76 HydrophobicContact CE-CG 4.39Å; M32-Y76 HydrophobicContact SD-CE2 4.21Å; M32-F84 CarbonylContact O-C 3.53Å; M32-F84 WeakPolarHBondContact O-CA 3.37Å; M32-I85 HydrophobicContact CB-CB 4.44Å; M32-I85 HydrophobicContact CE-CB 3.61Å; M32-I85 HydrophobicContact CE-CG2 3.42Å; M32-I85 VanDerWaalsContact CE-CG2 3.42Å; M32-I85 PolarHBondContact N-O 3.38Å; M32-I85 PolarHBondContact O-N 3.45Å; M32-L87 HydrophobicContact CE-CD1 3.67Å; M32-L87 HydrophobicContact CE-CD2 4Å; M32-L87 HydrophobicContact CE-CG 3.73Å; M32-L87 HydrophobicContact SD-CD1 4.1Å
33D97.9Very high84.5Confident1 Ų149.1 Ų49.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-102.3105.4170.3171.327.3000109.4F49 V62 K63 I64 F84D33-F49 HydrophobicContact CB-CD1 4.28Å; D33-F49 HydrophobicContact CB-CD2 3.97Å; D33-F49 HydrophobicContact CB-CE1 3.94Å; D33-F49 HydrophobicContact CB-CE2 3.6Å; D33-F49 HydrophobicContact CB-CG 4.29Å; D33-F49 HydrophobicContact CB-CZ 3.57Å; D33-V62 PolarHBondContact N-O 3.01Å; D33-K63 HydrophobicContact CB-CG 4.18Å; D33-K63 WeakPolarHBondContact OD2-CE 3.36Å; D33-I64 PolarHBondContact O-N 3.42Å; D33-F84 HydrophobicContact CB-CD1 3.92Å; D33-F84 HydrophobicContact CB-CE1 3.73Å; D33-F84 WeakPolarHBondContact OD1-CE1 3.42Å
34F98.1Very high86.1Confident0 Ų050.2 Ų50.20%027%0.27CS..EExtended strand (participates in β ladder)trans-84.9116.4170.1-67.1-97.6000108.9M32 I64 V66 V72 A73 Y76 V78 L81 P82 T83 I85M32-F34 HydrophobicContact CB-CD2 4.32Å; M32-F34 HydrophobicContact CB-CE2 3.81Å; M32-F34 HydrophobicContact CE-CE2 4.16Å; M32-F34 HydrophobicContact CE-CZ 4.43Å; M32-F34 HydrophobicContact SD-CE2 4.41Å; M32-F34 HydrophobicContact SD-CZ 4.45Å; F34-I64 WeakPolarHBondContact CA-O 3.5Å; F34-I64 HydrophobicContact CD1-CB 3.92Å; F34-I64 HydrophobicContact CD1-CD1 4.28Å; F34-I64 HydrophobicContact CD1-CG2 3.75Å; F34-I64 HydrophobicContact CE1-CB 4.12Å; F34-I64 HydrophobicContact CE1-CD1 3.72Å; F34-I64 HydrophobicContact CE1-CG2 3.76Å; F34-I64 HydrophobicContact CE2-CD1 3.97Å; F34-I64 HydrophobicContact CG-CB 4.39Å; F34-I64 HydrophobicContact CZ-CD1 3.53Å; F34-V66 HydrophobicContact CB-CG1 4.03Å; F34-V66 HydrophobicContact CD1-CG1 4.05Å; F34-V72 HydrophobicContact CE1-CG1 4.07Å; F34-V72 HydrophobicContact CZ-CG1 4.37Å; F34-A73 HydrophobicContact CD1-CB 4.36Å; F34-A73 HydrophobicContact CE1-CB 4.46Å; F34-Y76 HydrophobicContact CE1-CD2 4.43Å; F34-Y76 AromaticContact CZ-CD2 3.7Å; F34-Y76 HydrophobicContact CZ-CD2 3.7Å; F34-Y76 HydrophobicContact CZ-CE2 4.5Å; F34-Y76 AromaticContact CZ-CG 3.94Å; F34-Y76 HydrophobicContact CZ-CG 3.94Å; F34-V78 HydrophobicContact CB-CG1 3.97Å; F34-V78 HydrophobicContact CB-CG2 4.27Å; F34-V78 HydrophobicContact CD1-CB 4.38Å; F34-V78 HydrophobicContact CD1-CG1 4.47Å; F34-V78 HydrophobicContact CD1-CG2 3.72Å; F34-V78 HydrophobicContact CD2-CG2 3.9Å; F34-V78 HydrophobicContact CE1-CG2 3.91Å; F34-V78 HydrophobicContact CE2-CG2 4.1Å; F34-V78 HydrophobicContact CG-CB 4.49Å; F34-V78 HydrophobicContact CG-CG1 4.28Å; F34-V78 HydrophobicContact CG-CG2 3.7Å; F34-V78 HydrophobicContact CZ-CG2 4.1Å; F34-L81 HydrophobicContact CB-CD2 4.21Å; F34-L81 WeakPolarHBondContact O-CD2 3.46Å; F34-P82 VanDerWaalsContact O-CA 3.31Å; F34-P82 WeakPolarHBondContact O-CA 3.47Å; F34-T83 WeakPolarHBondContact CB-O 3.45Å; F34-T83 WeakPolarHBondContact CD2-O 3.31Å; F34-T83 PolarHBondContact N-O 2.94Å; F34-T83 PolarHBondContact O-N 3.09Å; F34-T83 VanDerWaalsContact O-N 3.12Å; F34-I85 HydrophobicContact CD2-CD1 4.27Å; F34-I85 HydrophobicContact CD2-CG1 4.34Å; F34-I85 HydrophobicContact CE2-CB 4.23Å; F34-I85 HydrophobicContact CE2-CD1 3.65Å; F34-I85 HydrophobicContact CE2-CG1 3.98Å; F34-I85 HydrophobicContact CZ-CD1 4.29Å
35Y97.6Very high88.3Confident37 Ų3744.1 Ų44.115%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-138.1171.1-173.980.3-75.2000111.4K63 I64 D65 V66Y35-K63 HydrophobicContact CD1-CB 4.23Å; Y35-K63 VanDerWaalsContact CD1-CE 3.46Å; Y35-K63 HydrophobicContact CE1-CB 3.8Å; Y35-K63 HydrophobicContact CE1-CD 4.39Å; Y35-K63 VanDerWaalsContact CE1-CE 3.41Å; Y35-K63 HydrophobicContact CE1-CG 4.43Å; Y35-I64 VanDerWaalsContact CD1-O 3.32Å; Y35-I64 WeakPolarHBondContact CD1-O 3.35Å; Y35-I64 PolarHBondContact N-O 3.44Å; Y35-D65 HydrophobicContact CE1-CB 3.94Å; Y35-D65 WeakPolarHBondContact O-CA 3.48Å; Y35-V66 PolarHBondContact O-N 3.04Å
36A95.6Very high90.4Very high1 Ų138 Ų381%0.00820%0.203CC..  trans-140.8155.2167.800000110.1W38 C39 V66 L81A36-W38 VanDerWaalsContact C-N 3.25Å; A36-W38 HydrophobicContact CB-CD2 3.85Å; A36-W38 HydrophobicContact CB-CE3 4.49Å; A36-W38 HydrophobicContact CB-CG 4.24Å; A36-W38 HydrophobicContact CB-CH2 4.24Å; A36-W38 HydrophobicContact CB-CZ2 3.54Å; A36-W38 PolarHBondContact O-N 3.26Å; A36-C39 HydrophobicContact CB-CB 4.35Å; A36-C39 WeakPolarHBondContact O-CB 3.4Å; A36-C39 PolarHBondContact O-N 2.83Å; A36-V66 HydrophobicContact CB-CG2 4.06Å; A36-L81 HydrophobicContact CB-CD1 3.49Å; A36-L81 VanDerWaalsContact CB-CD1 3.49Å
37S93.9Very high92.4Very high91 Ų9140.9 Ų40.964%0.63622%0.218SC*.THydrogen-bonded Turntrans-67.9-26.2-176.5-62.80000113.1C39S37-C39 VanDerWaalsContact C-N 3.34Å
38W93.9Very high94.3Very high173 Ų17341 Ų4166%0.65522%0.218SC*.THydrogen-bonded Turntrans-85.4-3.5177.848.6-99.3000113.6A36 R40 D67 L81A36-W38 VanDerWaalsContact C-N 3.25Å; A36-W38 HydrophobicContact CB-CD2 3.85Å; A36-W38 HydrophobicContact CB-CE3 4.49Å; A36-W38 HydrophobicContact CB-CG 4.24Å; A36-W38 HydrophobicContact CB-CH2 4.24Å; A36-W38 HydrophobicContact CB-CZ2 3.54Å; A36-W38 PolarHBondContact O-N 3.26Å; W38-R40 PolarHBondContact O-N 3.24Å; W38-D67 VanDerWaalsContact CD1-OD2 3.3Å; W38-D67 PolarHBondContact NE1-OD1 3.29Å; W38-D67 PolarHBondContact NE1-OD2 2.87Å; W38-L81 HydrophobicContact CH2-CD1 3.65Å; W38-L81 HydrophobicContact CZ2-CD1 3.91Å; W38-L81 HydrophobicContact CZ3-CD1 4.34Å
39C91.9Very high95.1Very high10 Ų1039.9 Ų39.97%0.06821%0.21CC..  trans-90.5103.2-176.6167.80000111.3A36 S37 C42 S43 L81A36-C39 HydrophobicContact CB-CB 4.35Å; A36-C39 WeakPolarHBondContact O-CB 3.4Å; A36-C39 PolarHBondContact O-N 2.83Å; S37-C39 VanDerWaalsContact C-N 3.34Å; C39-C42 HydrophobicContact CB-CB 3.69Å; C39-C42 WeakPolarHBondContact CB-SG 3.42Å; C39-C42 VanDerWaalsContact O-CB 3.26Å; C39-C42 WeakPolarHBondContact O-CB 3.37Å; C39-C42 PolarHBondContact O-N 3.42Å; C39-C42 VanDerWaalsContact O-N 3.14Å; C39-C42 WeakPolarHBondContact SG-CB 3.25Å; C39-C42 PolarHBondContact SG-N 2.81Å; C39-C42 CovalentContact SG-SG 2.05Å; C39-C42 PolarHBondContact SG-SG 2.67Å; C39-S43 PolarHBondContact O-N 3.31Å; C39-L81 HydrophobicContact CB-CB 4.46Å
40R92.8Very high95.3Very high177 Ų17743.7 Ų43.767%0.66823%0.228SC*.Hα-helixtrans-58.4-47.1178.6-178.964.5-170-1512113.9W38 C42 S43 D44W38-R40 PolarHBondContact O-N 3.24Å; R40-C42 PolarHBondContact O-N 3.48Å; R40-S43 WeakPolarHBondContact O-CB 3.47Å; R40-S43 PolarHBondContact O-N 3.25Å; R40-D44 IonicContact CZ-OD1 2.76Å; R40-D44 IonicContact NE-OD1 2.81Å; R40-D44 PolarHBondContact NE-OD1 3.16Å; R40-D44 IonicContact NE-OD2 3.85Å; R40-D44 IonicContact NH2-OD1 2.61Å; R40-D44 PolarHBondContact NH2-OD1 3.45Å; R40-D44 PolarHBondContact O-N 3.33Å
41P93.6Very high95.3Very high63 Ų6348 Ų4841%0.40925%0.248SC..Hα-helixtrans-59.7-28.4176.5-25.135.5000113.7I45P41-I45 WeakPolarHBondContact O-CG2 3.48Å; P41-I45 PolarHBondContact O-N 3Å
42C95.5Very high95.1Very high4 Ų448.2 Ų48.23%0.02725%0.249CC..Hα-helixtrans-68.3-43.6174.8-55.50000111.2C39 R40 D44 I45 A46 P82C39-C42 HydrophobicContact CB-CB 3.69Å; C39-C42 WeakPolarHBondContact CB-SG 3.42Å; C39-C42 VanDerWaalsContact O-CB 3.26Å; C39-C42 WeakPolarHBondContact O-CB 3.37Å; C39-C42 PolarHBondContact O-N 3.42Å; C39-C42 VanDerWaalsContact O-N 3.14Å; C39-C42 WeakPolarHBondContact SG-CB 3.25Å; C39-C42 PolarHBondContact SG-N 2.81Å; C39-C42 CovalentContact SG-SG 2.05Å; C39-C42 PolarHBondContact SG-SG 2.67Å; R40-C42 PolarHBondContact O-N 3.48Å; C42-D44 VanDerWaalsContact C-N 3.32Å; C42-D44 PolarHBondContact O-N 2.71Å; C42-I45 WeakPolarHBondContact O-CG2 3.29Å; C42-I45 PolarHBondContact O-N 3.03Å; C42-A46 WeakPolarHBondContact O-CB 3.46Å; C42-A46 PolarHBondContact O-N 3.46Å; C42-P82 HydrophobicContact CB-CB 4.41Å
43S94.2Very high94.9Very high65 Ų6548.2 Ų48.246%0.45525%0.249SC..Hα-helixtrans-62.9-38.1174.8-61.50000112.4C39 R40 P47C39-S43 PolarHBondContact O-N 3.31Å; R40-S43 WeakPolarHBondContact O-CB 3.47Å; R40-S43 PolarHBondContact O-N 3.25Å; S43-P47 WeakPolarHBondContact O-CD 3.34Å
44D93.7Very high94.6Very high89 Ų8953.4 Ų53.448%0.47628%0.276SS..Hα-helixtrans-69.5-34.1-178.8-62.9-30.8000112.4R40 C42R40-D44 IonicContact CZ-OD1 2.76Å; R40-D44 IonicContact NE-OD1 2.81Å; R40-D44 PolarHBondContact NE-OD1 3.16Å; R40-D44 IonicContact NE-OD2 3.85Å; R40-D44 IonicContact NH2-OD1 2.61Å; R40-D44 PolarHBondContact NH2-OD1 3.45Å; R40-D44 PolarHBondContact O-N 3.33Å; C42-D44 VanDerWaalsContact C-N 3.32Å; C42-D44 PolarHBondContact O-N 2.71Å
45I95.9Very high94.2Very high1 Ų158.6 Ų58.61%0.00530%0.298CS..Hα-helixtrans-90.3-17.1179.4-162.9160.5000114.1P41 C42 P47 V48 F49 P82 F84 L104P41-I45 WeakPolarHBondContact O-CG2 3.48Å; P41-I45 PolarHBondContact O-N 3Å; C42-I45 WeakPolarHBondContact O-CG2 3.29Å; C42-I45 PolarHBondContact O-N 3.03Å; I45-P47 VanDerWaalsContact C-CD 3.44Å; I45-P47 VanDerWaalsContact C-N 3.34Å; I45-V48 HydrophobicContact CG1-CB 4.25Å; I45-V48 WeakPolarHBondContact O-CA 3.45Å; I45-V48 WeakPolarHBondContact O-CB 3.41Å; I45-V48 PolarHBondContact O-N 3.39Å; I45-F49 PolarHBondContact O-N 3.46Å; I45-F49 VanDerWaalsContact O-N 3.08Å; I45-P82 HydrophobicContact CG2-CB 4.44Å; I45-P82 HydrophobicContact CG2-CG 3.98Å; I45-F84 HydrophobicContact CD1-CE2 3.77Å; I45-F84 HydrophobicContact CD1-CZ 3.73Å; I45-F84 HydrophobicContact CG1-CZ 4.13Å; I45-F84 HydrophobicContact CG2-CZ 3.78Å; I45-L104 HydrophobicContact CD1-CB 4.2Å; I45-L104 HydrophobicContact CD1-CD2 3.84Å; I45-L104 HydrophobicContact CG1-CD2 3.98Å
46A95.3Very high93.7Very high27 Ų2758 Ų5822%0.22330%0.296CS..Hα-helixtrans-53.1-39.8-17900000114.5C42 V48 F49 Q50C42-A46 WeakPolarHBondContact O-CB 3.46Å; C42-A46 PolarHBondContact O-N 3.46Å; A46-V48 VanDerWaalsContact C-N 3.28Å; A46-V48 PolarHBondContact O-N 3.32Å; A46-F49 PolarHBondContact O-N 3.44Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.28Å
47P95.6Very high93.2Very high86 Ų8662.9 Ų62.956%0.55833%0.326SS*.Hα-helixtrans-61.5-34.8174.5-24.335.3000113.4S43 I45 Q50 E51S43-P47 WeakPolarHBondContact O-CD 3.34Å; I45-P47 VanDerWaalsContact C-CD 3.44Å; I45-P47 VanDerWaalsContact C-N 3.34Å; P47-Q50 PolarHBondContact O-N 3.09Å; P47-E51 WeakPolarHBondContact O-CB 3.47Å; P47-E51 PolarHBondContact O-N 2.81Å
48V95.3Very high92.5Very high11 Ų1161.5 Ų61.57%0.06731%0.311CS..Hα-helixtrans-71.3-42.6178.3-178.10000110.2I45 A46 Q50 E51 L52 P101 R105I45-V48 HydrophobicContact CG1-CB 4.25Å; I45-V48 WeakPolarHBondContact O-CA 3.45Å; I45-V48 WeakPolarHBondContact O-CB 3.41Å; I45-V48 PolarHBondContact O-N 3.39Å; A46-V48 VanDerWaalsContact C-N 3.28Å; A46-V48 PolarHBondContact O-N 3.32Å; V48-Q50 VanDerWaalsContact C-N 3.29Å; V48-Q50 PolarHBondContact O-N 3.1Å; V48-E51 WeakPolarHBondContact O-CB 3.37Å; V48-E51 PolarHBondContact O-N 2.98Å; V48-L52 HydrophobicContact CG1-CD1 4.06Å; V48-L52 HydrophobicContact CG1-CG 4.48Å; V48-L52 WeakPolarHBondContact O-CB 3.45Å; V48-L52 VanDerWaalsContact O-CG 3.23Å; V48-L52 WeakPolarHBondContact O-CG 3.32Å; V48-L52 PolarHBondContact O-N 2.86Å; V48-P101 HydrophobicContact CG1-CB 4.43Å; V48-P101 HydrophobicContact CG2-CB 4.01Å; V48-P101 HydrophobicContact CG2-CG 4.32Å; V48-R105 HydrophobicContact CG1-CG 3.8Å
49F96.8Very high92.3Very high1 Ų153.2 Ų53.20%0.00428%0.28CS..Hα-helixtrans-60.4-42.1174.1-168.2-97.8000111.4V4 V31 D33 I45 A46 L52 S53 F61 K63 F84 L104V4-F49 HydrophobicContact CG1-CD1 4.35Å; V4-F49 HydrophobicContact CG1-CE1 4.06Å; V4-F49 HydrophobicContact CG2-CD1 3.96Å; V4-F49 HydrophobicContact CG2-CE1 4.11Å; V31-F49 HydrophobicContact CB-CE2 4.41Å; V31-F49 HydrophobicContact CG1-CE2 3.81Å; V31-F49 HydrophobicContact CG1-CZ 4.47Å; D33-F49 HydrophobicContact CB-CD1 4.28Å; D33-F49 HydrophobicContact CB-CD2 3.97Å; D33-F49 HydrophobicContact CB-CE1 3.94Å; D33-F49 HydrophobicContact CB-CE2 3.6Å; D33-F49 HydrophobicContact CB-CG 4.29Å; D33-F49 HydrophobicContact CB-CZ 3.57Å; I45-F49 PolarHBondContact O-N 3.46Å; I45-F49 VanDerWaalsContact O-N 3.08Å; A46-F49 PolarHBondContact O-N 3.44Å; F49-L52 PolarHBondContact O-N 3Å; F49-S53 PolarHBondContact O-N 2.99Å; F49-F61 HydrophobicContact CD1-CD1 4.37Å; F49-F61 HydrophobicContact CD2-CD1 4.12Å; F49-F61 HydrophobicContact CE1-CB 3.76Å; F49-F61 AromaticContact CE1-CD1 4Å; F49-F61 HydrophobicContact CE1-CD1 4Å; F49-F61 HydrophobicContact CE1-CG 4.39Å; F49-F61 AromaticContact CE2-CD1 3.72Å; F49-F61 HydrophobicContact CE2-CD1 3.72Å; F49-F61 HydrophobicContact CE2-CE1 4.42Å; F49-F61 HydrophobicContact CG-CD1 4.43Å; F49-F61 HydrophobicContact CZ-CB 3.85Å; F49-F61 AromaticContact CZ-CD1 3.66Å; F49-F61 HydrophobicContact CZ-CD1 3.66Å; F49-F61 HydrophobicContact CZ-CG 4.24Å; F49-K63 HydrophobicContact CD1-CG 4.24Å; F49-K63 HydrophobicContact CE1-CG 3.91Å; F49-F84 AromaticContact CD2-CD1 3.96Å; F49-F84 HydrophobicContact CD2-CD1 3.96Å; F49-F84 AromaticContact CD2-CE1 3.68Å; F49-F84 HydrophobicContact CD2-CE1 3.68Å; F49-F84 AromaticContact CE2-CD1 3.97Å; F49-F84 HydrophobicContact CE2-CD1 3.97Å; F49-F84 HydrophobicContact CE2-CE1 4.11Å; F49-L104 HydrophobicContact CB-CD2 4.44Å; F49-L104 HydrophobicContact CD2-CD2 4.14Å
50Q94.8Very high92.3Very high80 Ų8055.8 Ų55.837%0.37429%0.29SS..Hα-helixtrans-63.7-45.2174.8-176.460.952.600112.2A46 P47 V48 L52 S53 I54A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.28Å; P47-Q50 PolarHBondContact O-N 3.09Å; V48-Q50 VanDerWaalsContact C-N 3.29Å; V48-Q50 PolarHBondContact O-N 3.1Å; Q50-L52 PolarHBondContact O-N 2.91Å; Q50-S53 PolarHBondContact NE2-OG 3.35Å; Q50-S53 PolarHBondContact O-N 2.78Å; Q50-S53 PolarHBondContact O-OG 2.84Å; Q50-I54 HydrophobicContact CG-CD1 4.39Å; Q50-I54 WeakPolarHBondContact O-CG1 3.23Å; Q50-I54 PolarHBondContact O-N 2.93Å
51E93.7Very high92.4Very high92 Ų9247.3 Ų47.343%0.4326%0.258SS..Hα-helixtrans-55.6-49.2174.9-176-162.1154.900111.1P47 V48 S53 I54 K55 R105P47-E51 WeakPolarHBondContact O-CB 3.47Å; P47-E51 PolarHBondContact O-N 2.81Å; V48-E51 WeakPolarHBondContact O-CB 3.37Å; V48-E51 PolarHBondContact O-N 2.98Å; E51-S53 VanDerWaalsContact C-N 3.33Å; E51-S53 PolarHBondContact O-N 2.77Å; E51-I54 PolarHBondContact O-N 3.09Å; E51-I54 VanDerWaalsContact O-N 3.16Å; E51-K55 PolarHBondContact O-N 3.3Å; E51-R105 IonicContact OE2-NE 3.92Å; E51-R105 IonicContact OE2-NH2 2.72Å
52L94.3Very high92.6Very high4 Ų444.3 Ų44.32%0.02124%0.239CC..Hα-helixtrans-62.8-38.8179.2-68.9169000112V48 F49 Q50 I54 K55 Y56 F61 L104 R105 V108V48-L52 HydrophobicContact CG1-CD1 4.06Å; V48-L52 HydrophobicContact CG1-CG 4.48Å; V48-L52 WeakPolarHBondContact O-CB 3.45Å; V48-L52 VanDerWaalsContact O-CG 3.23Å; V48-L52 WeakPolarHBondContact O-CG 3.32Å; V48-L52 PolarHBondContact O-N 2.86Å; F49-L52 PolarHBondContact O-N 3Å; Q50-L52 PolarHBondContact O-N 2.91Å; L52-I54 PolarHBondContact O-N 3.01Å; L52-K55 PolarHBondContact O-N 3.38Å; L52-Y56 HydrophobicContact CB-CD2 4.47Å; L52-Y56 HydrophobicContact CD2-CD2 4.02Å; L52-Y56 HydrophobicContact CD2-CE2 3.63Å; L52-Y56 WeakPolarHBondContact O-CD2 3.47Å; L52-Y56 PolarHBondContact O-N 3Å; L52-F61 HydrophobicContact CB-CE1 3.66Å; L52-F61 HydrophobicContact CB-CZ 3.86Å; L52-L104 HydrophobicContact CD1-CD2 4.01Å; L52-L104 HydrophobicContact CD1-CG 3.74Å; L52-R105 HydrophobicContact CD1-CG 4.24Å; L52-R105 HydrophobicContact CD2-CB 4.47Å; L52-R105 HydrophobicContact CD2-CG 4.17Å; L52-V108 HydrophobicContact CB-CG1 4.42Å; L52-V108 HydrophobicContact CD1-CB 4.31Å; L52-V108 HydrophobicContact CD1-CG2 4.02Å; L52-V108 HydrophobicContact CD2-CB 4.31Å; L52-V108 HydrophobicContact CD2-CG1 4.15Å
53S93.2Very high92.7Very high0 Ų046.1 Ų46.10%025%0.246CC..Hα-helixtrans-62.3-30.2176.380.60000114.1T3 V4 F49 Q50 E51 F61T3-S53 PolarHBondContact OG1-O 2.81Å; V4-S53 WeakPolarHBondContact CG2-OG 3.36Å; F49-S53 PolarHBondContact O-N 2.99Å; Q50-S53 PolarHBondContact NE2-OG 3.35Å; Q50-S53 PolarHBondContact O-N 2.78Å; Q50-S53 PolarHBondContact O-OG 2.84Å; E51-S53 VanDerWaalsContact C-N 3.33Å; E51-S53 PolarHBondContact O-N 2.77Å; S53-F61 VanDerWaalsContact CA-CD2 3.41Å
54I91Very high92.8Very high109 Ų10943 Ų4356%0.55922%0.224SC*.Hα-helixtrans-79.7-37.9177.4-65.5164.7000109.7Q50 E51 L52Q50-I54 HydrophobicContact CG-CD1 4.39Å; Q50-I54 WeakPolarHBondContact O-CG1 3.23Å; Q50-I54 PolarHBondContact O-N 2.93Å; E51-I54 PolarHBondContact O-N 3.09Å; E51-I54 VanDerWaalsContact O-N 3.16Å; L52-I54 PolarHBondContact O-N 3.01Å
55K88.8Confident93Very high109 Ų10939.1 Ų39.147%0.47420%0.203SC..Hα-helixtrans-73.5-40.9-178-174.9174177.8178.80113.4E51 L52E51-K55 PolarHBondContact O-N 3.3Å; L52-K55 PolarHBondContact O-N 3.38Å
56Y88.2Confident93Very high25 Ų2540 Ų4010%0.09821%0.209CC..  trans-108.973.7-174.5-63.1-79.8000111L52 N58 M59 V108 Q109 A112L52-Y56 HydrophobicContact CB-CD2 4.47Å; L52-Y56 HydrophobicContact CD2-CD2 4.02Å; L52-Y56 HydrophobicContact CD2-CE2 3.63Å; L52-Y56 WeakPolarHBondContact O-CD2 3.47Å; L52-Y56 PolarHBondContact O-N 3Å; Y56-N58 PolarHBondContact O-N 3.49Å; Y56-M59 PolarHBondContact O-N 3.15Å; Y56-M59 VanDerWaalsContact O-N 3.09Å; Y56-V108 HydrophobicContact CD2-CG1 3.31Å; Y56-V108 HydrophobicContact CE2-CG1 3.57Å; Y56-V108 HydrophobicContact CG-CG1 3.82Å; Y56-Q109 WeakPolarHBondContact OH-CA 3.43Å; Y56-Q109 VanDerWaalsContact OH-CB 3.28Å; Y56-Q109 WeakPolarHBondContact OH-CB 2.98Å; Y56-Q109 WeakPolarHBondContact OH-CG 3.3Å; Y56-A112 HydrophobicContact CD1-CB 3.39Å; Y56-A112 HydrophobicContact CE1-CB 3.44Å; Y56-A112 VanDerWaalsContact CE1-CB 3.44Å; Y56-A112 HydrophobicContact CG-CB 4.43Å
57T85.3Confident93Very high104 Ų10442.4 Ų42.464%0.63822%0.218SC*.THydrogen-bonded Turntrans-68.8-17.1-175.456.50000114M59T57-M59 VanDerWaalsContact C-N 3.26Å
58N78.4Confident93Very high61 Ų6145.5 Ų45.533%0.32622%0.222SC..THydrogen-bonded Turntrans-76.9-917360.9-29.3000113.4P27 Y56P27-N58 WeakPolarHBondContact CD-ND2 3.44Å; P27-N58 WeakPolarHBondContact CG-ND2 3.35Å; Y56-N58 PolarHBondContact O-N 3.49Å
59M89.5Confident93Very high0 Ų045.9 Ų45.90%022%0.223CC..EExtended strand (participates in β ladder)trans-108.6156.2175.3-60.9-178.3168.300111.4I29 V31 Y56 T57 F61 V108 L111 A112I29-M59 HydrophobicContact CB-CE 4.24Å; I29-M59 HydrophobicContact CB-CG 4.15Å; I29-M59 HydrophobicContact CD1-CE 4.08Å; I29-M59 HydrophobicContact CG2-CE 4.2Å; I29-M59 HydrophobicContact CG2-CG 4.44Å; I29-M59 HydrophobicContact CG2-SD 4.26Å; I29-M59 WeakPolarHBondContact O-CA 3.43Å; V31-M59 HydrophobicContact CG2-SD 4.22Å; Y56-M59 PolarHBondContact O-N 3.15Å; Y56-M59 VanDerWaalsContact O-N 3.09Å; T57-M59 VanDerWaalsContact C-N 3.26Å; M59-F61 HydrophobicContact CB-CD2 4.24Å; M59-F61 HydrophobicContact CB-CE2 3.7Å; M59-F61 HydrophobicContact CB-CZ 4.47Å; M59-F61 HydrophobicContact SD-CE2 4.47Å; M59-F61 HydrophobicContact SD-CZ 4.4Å; M59-V108 HydrophobicContact SD-CG1 3.91Å; M59-L111 VanDerWaalsContact CE-C 3.49Å; M59-L111 HydrophobicContact CE-CB 3.78Å; M59-A112 HydrophobicContact CE-CB 3.53Å
60K91.9Very high92.9Very high63 Ų6352.5 Ų52.527%0.27426%0.255SS..EExtended strand (participates in β ladder)trans-99.6124.9170.7-60.2-57.6-176.4-175.80109.7I5 I16 A20 I29 V30 V31I5-K60 HydrophobicContact CD1-CD 4.38Å; I16-K60 HydrophobicContact CG2-CB 4.2Å; I16-K60 HydrophobicContact CG2-CG 4.44Å; A20-K60 HydrophobicContact CB-CG 4.2Å; I29-K60 PolarHBondContact O-N 3.3Å; V30-K60 CarbonylContact C-O 3.49Å; V30-K60 WeakPolarHBondContact CA-O 2.88Å; V30-K60 HydrophobicContact CG1-CB 4.41Å; V30-K60 HydrophobicContact CG2-CB 4.27Å; V31-K60 PolarHBondContact N-O 2.88Å
61F95.7Very high92.9Very high0 Ų052.5 Ų52.50%026%0.257CS..EExtended strand (participates in β ladder)trans-105.1123176.4-73.6-103.3000108.5T3 V4 I5 V31 F49 L52 S53 M59 V108T3-F61 VanDerWaalsContact O-O 3.13Å; V4-F61 CarbonylContact C-O 3.6Å; V4-F61 WeakPolarHBondContact CA-O 3.48Å; V4-F61 HydrophobicContact CG2-CB 4.3Å; I5-F61 PolarHBondContact N-O 3.17Å; V31-F61 HydrophobicContact CB-CD1 4.03Å; V31-F61 HydrophobicContact CB-CE1 4.12Å; V31-F61 HydrophobicContact CB-CG 4.5Å; V31-F61 HydrophobicContact CG1-CD1 4.41Å; V31-F61 HydrophobicContact CG1-CE1 4.35Å; V31-F61 HydrophobicContact CG2-CD1 4.42Å; V31-F61 HydrophobicContact CG2-CE1 4.1Å; V31-F61 HydrophobicContact CG2-CZ 4.24Å; V31-F61 CarbonylContact O-C 3.43Å; V31-F61 WeakPolarHBondContact O-CA 3.44Å; F49-F61 HydrophobicContact CD1-CD1 4.37Å; F49-F61 HydrophobicContact CD2-CD1 4.12Å; F49-F61 HydrophobicContact CE1-CB 3.76Å; F49-F61 AromaticContact CE1-CD1 4Å; F49-F61 HydrophobicContact CE1-CD1 4Å; F49-F61 HydrophobicContact CE1-CG 4.39Å; F49-F61 AromaticContact CE2-CD1 3.72Å; F49-F61 HydrophobicContact CE2-CD1 3.72Å; F49-F61 HydrophobicContact CE2-CE1 4.42Å; F49-F61 HydrophobicContact CG-CD1 4.43Å; F49-F61 HydrophobicContact CZ-CB 3.85Å; F49-F61 AromaticContact CZ-CD1 3.66Å; F49-F61 HydrophobicContact CZ-CD1 3.66Å; F49-F61 HydrophobicContact CZ-CG 4.24Å; L52-F61 HydrophobicContact CB-CE1 3.66Å; L52-F61 HydrophobicContact CB-CZ 3.86Å; S53-F61 VanDerWaalsContact CA-CD2 3.41Å; M59-F61 HydrophobicContact CB-CD2 4.24Å; M59-F61 HydrophobicContact CB-CE2 3.7Å; M59-F61 HydrophobicContact CB-CZ 4.47Å; M59-F61 HydrophobicContact SD-CE2 4.47Å; M59-F61 HydrophobicContact SD-CZ 4.4Å; F61-V108 HydrophobicContact CE1-CG1 4.33Å; F61-V108 HydrophobicContact CE1-CG2 4.13Å; F61-V108 HydrophobicContact CZ-CG1 3.75Å; F61-V108 HydrophobicContact CZ-CG2 4.33Å
62V97Very high93Very high0 Ų048.1 Ų48.10%024%0.237CC..EExtended strand (participates in β ladder)trans-126.1130.7-170.9-175.70000109.3I5 I7 L13 I16 V30 V31 M32 D33 I64I5-V62 CarbonylContact O-C 3.6Å; I5-V62 VanDerWaalsContact O-CA 3.26Å; I5-V62 WeakPolarHBondContact O-CA 3.5Å; I7-V62 HydrophobicContact CG2-CG1 3.27Å; L13-V62 HydrophobicContact CD1-CG1 4.2Å; I16-V62 HydrophobicContact CD1-CG1 4.38Å; I16-V62 HydrophobicContact CD1-CG2 4.3Å; I16-V62 HydrophobicContact CG2-CG2 3.81Å; V30-V62 HydrophobicContact CG1-CG2 3.7Å; V31-V62 PolarHBondContact O-N 3.3Å; M32-V62 CarbonylContact C-O 3.5Å; M32-V62 WeakPolarHBondContact CA-O 3.2Å; M32-V62 HydrophobicContact CG-CB 4.38Å; D33-V62 PolarHBondContact N-O 3.01Å; V62-I64 HydrophobicContact CG1-CG1 4.13Å
63K97.3Very high92.9Very high41 Ų4148.4 Ų48.418%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-103.3134.9172.8-79-168.479.6-173.30110.4V4 I5 N6 I7 D33 Y35 F49V4-K63 HydrophobicContact CG1-CB 4.12Å; V4-K63 HydrophobicContact CG1-CD 3.65Å; V4-K63 HydrophobicContact CG1-CG 3.48Å; V4-K63 VanDerWaalsContact CG1-CG 3.48Å; I5-K63 PolarHBondContact O-N 3.23Å; N6-K63 WeakPolarHBondContact OD1-CB 3.2Å; I7-K63 PolarHBondContact N-O 3.27Å; D33-K63 HydrophobicContact CB-CG 4.18Å; D33-K63 WeakPolarHBondContact OD2-CE 3.36Å; Y35-K63 HydrophobicContact CD1-CB 4.23Å; Y35-K63 VanDerWaalsContact CD1-CE 3.46Å; Y35-K63 HydrophobicContact CE1-CB 3.8Å; Y35-K63 HydrophobicContact CE1-CD 4.39Å; Y35-K63 VanDerWaalsContact CE1-CE 3.41Å; Y35-K63 HydrophobicContact CE1-CG 4.43Å; F49-K63 HydrophobicContact CD1-CG 4.24Å; F49-K63 HydrophobicContact CE1-CG 3.91Å
64I97.5Very high92.9Very high0 Ų055.9 Ų55.90%027%0.274CS..EExtended strand (participates in β ladder)trans-129.2105.5-176.5-55.4174.2000107.5I7 L13 M32 D33 F34 Y35 V62 V66 H69 V72I7-I64 HydrophobicContact CD1-CB 4.38Å; I7-I64 HydrophobicContact CD1-CD1 4.5Å; I7-I64 HydrophobicContact CD1-CG1 3.96Å; I7-I64 HydrophobicContact CD1-CG2 3.89Å; I7-I64 HydrophobicContact CG1-CG1 4.25Å; I7-I64 HydrophobicContact CG2-CG1 4.34Å; L13-I64 HydrophobicContact CD1-CD1 4.48Å; L13-I64 HydrophobicContact CD2-CD1 4.14Å; M32-I64 HydrophobicContact CB-CD1 3.97Å; M32-I64 HydrophobicContact CG-CD1 4.09Å; M32-I64 HydrophobicContact SD-CD1 3.85Å; D33-I64 PolarHBondContact O-N 3.42Å; F34-I64 WeakPolarHBondContact CA-O 3.5Å; F34-I64 HydrophobicContact CD1-CB 3.92Å; F34-I64 HydrophobicContact CD1-CD1 4.28Å; F34-I64 HydrophobicContact CD1-CG2 3.75Å; F34-I64 HydrophobicContact CE1-CB 4.12Å; F34-I64 HydrophobicContact CE1-CD1 3.72Å; F34-I64 HydrophobicContact CE1-CG2 3.76Å; F34-I64 HydrophobicContact CE2-CD1 3.97Å; F34-I64 HydrophobicContact CG-CB 4.39Å; F34-I64 HydrophobicContact CZ-CD1 3.53Å; Y35-I64 VanDerWaalsContact CD1-O 3.32Å; Y35-I64 WeakPolarHBondContact CD1-O 3.35Å; Y35-I64 PolarHBondContact N-O 3.44Å; V62-I64 HydrophobicContact CG1-CG1 4.13Å; I64-V66 PolarHBondContact O-N 3.48Å; I64-H69 HydrophobicContact CG2-CB 4.02Å; I64-V72 HydrophobicContact CD1-CG1 4.09Å; I64-V72 HydrophobicContact CG2-CB 4.45Å; I64-V72 HydrophobicContact CG2-CG1 4.17Å
65D97.1Very high92.9Very high8 Ų857.1 Ų57.14%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-74.6112.1173.1-170.1-22.8000108.5Y35 D67 K68 H69Y35-D65 HydrophobicContact CE1-CB 3.94Å; Y35-D65 WeakPolarHBondContact O-CA 3.48Å; D65-D67 PolarHBondContact O-N 2.88Å; D65-D67 PolarHBondContact OD1-N 2.93Å; D65-D67 VanDerWaalsContact OD1-N 3.15Å; D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 HydrophobicContact CB-CD 4.12Å; D65-K68 HydrophobicContact CB-CG 4.17Å; D65-K68 PolarHBondContact O-N 3.19Å; D65-K68 VanDerWaalsContact O-N 3.09Å; D65-K68 WeakPolarHBondContact OD2-CE 3.31Å; D65-K68 IonicContact OD2-NZ 3.76Å; D65-H69 PolarHBondContact O-CD2 3.32Å; D65-H69 PolarHBondContact O-N 3.44Å
66V95.9Very high93.1Very high20 Ų2053.1 Ų53.112%0.12125%0.254CS..THydrogen-bonded Turntrans-67.9-22.8-175.1-58.20000112.9F34 Y35 A36 I64 K68 E70 A73 L81F34-V66 HydrophobicContact CB-CG1 4.03Å; F34-V66 HydrophobicContact CD1-CG1 4.05Å; Y35-V66 PolarHBondContact O-N 3.04Å; A36-V66 HydrophobicContact CB-CG2 4.06Å; I64-V66 PolarHBondContact O-N 3.48Å; V66-K68 VanDerWaalsContact C-N 3.26Å; V66-K68 PolarHBondContact O-N 3.44Å; V66-E70 VanDerWaalsContact O-CG 3.29Å; V66-E70 WeakPolarHBondContact O-CG 3.37Å; V66-E70 PolarHBondContact O-N 3.47Å; V66-A73 HydrophobicContact CB-CB 4.15Å; V66-A73 HydrophobicContact CG1-CB 3.92Å; V66-L81 HydrophobicContact CG1-CD2 3.74Å; V66-L81 HydrophobicContact CG2-CD1 3.68Å; V66-L81 HydrophobicContact CG2-CD2 4.13Å; V66-L81 HydrophobicContact CG2-CG 4.48Å
67D95.1Very high93.3Very high77 Ų7755.9 Ų55.941%0.41227%0.271SS..THydrogen-bonded Turntrans-74.1-21.2176-60.2-33.3000111.3W38 D65W38-D67 VanDerWaalsContact CD1-OD2 3.3Å; W38-D67 PolarHBondContact NE1-OD1 3.29Å; W38-D67 PolarHBondContact NE1-OD2 2.87Å; D65-D67 PolarHBondContact O-N 2.88Å; D65-D67 PolarHBondContact OD1-N 2.93Å; D65-D67 VanDerWaalsContact OD1-N 3.15Å
68K96.3Very high93.6Very high150 Ų15052 Ų5265%0.65225%0.247SC*.THydrogen-bonded Turntrans-101.9-22.7179.6-62.1-178.2-174.9172.90113.5D65 V66D65-K68 HydrophobicContact CB-CB 4.18Å; D65-K68 HydrophobicContact CB-CD 4.12Å; D65-K68 HydrophobicContact CB-CG 4.17Å; D65-K68 PolarHBondContact O-N 3.19Å; D65-K68 VanDerWaalsContact O-N 3.09Å; D65-K68 WeakPolarHBondContact OD2-CE 3.31Å; D65-K68 IonicContact OD2-NZ 3.76Å; V66-K68 VanDerWaalsContact C-N 3.26Å; V66-K68 PolarHBondContact O-N 3.44Å
69H96Very high94.1Very high19 Ų1958.9 Ų58.99%0.08827%0.268CS..  trans-133.751.4-171.9-54.2-59.6000111.1I7 T8 I64 D65 D71 V72 A73I7-H69 HydrophobicContact CD1-CB 4.07Å; I7-H69 PolarHBondContact O-NE2 3.37Å; T8-H69 PolarHBondContact O-CE1 3.14Å; T8-H69 VanDerWaalsContact O-CE1 3.28Å; I64-H69 HydrophobicContact CG2-CB 4.02Å; D65-H69 PolarHBondContact O-CD2 3.32Å; D65-H69 PolarHBondContact O-N 3.44Å; H69-D71 PolarHBondContact O-N 3.06Å; H69-V72 HydrophobicContact CB-CB 4.13Å; H69-V72 HydrophobicContact CB-CG2 4.11Å; H69-V72 WeakPolarHBondContact O-CB 3.31Å; H69-V72 PolarHBondContact O-N 3.25Å; H69-V72 VanDerWaalsContact O-N 3.1Å; H69-A73 PolarHBondContact O-N 2.96Å
70E94.5Very high94.2Very high141 Ų14161.4 Ų61.466%0.65929%0.286SS*.Hα-helixtrans-55.6-37.8-179.6-66.8-177.6-171.400112.4V66 V72 A73 Q74V66-E70 VanDerWaalsContact O-CG 3.29Å; V66-E70 WeakPolarHBondContact O-CG 3.37Å; V66-E70 PolarHBondContact O-N 3.47Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 2.91Å; E70-A73 PolarHBondContact O-N 3.38Å; E70-Q74 WeakPolarHBondContact O-CB 3.42Å; E70-Q74 PolarHBondContact O-N 3.23Å
71D94Very high94.3Very high79 Ų7960.1 Ų60.142%0.42228%0.282SS..Hα-helixtrans-62.3-39.6177.768.3-42.5000112.3H69 R75H69-D71 PolarHBondContact O-N 3.06Å; D71-R75 WeakPolarHBondContact O-CB 3.41Å; D71-R75 PolarHBondContact O-N 3.17Å
72V95.3Very high94.4Very high1 Ų160.1 Ų60.11%0.00628%0.282CS..Hα-helixtrans-69.7-45.5174.7-1780000110.2I7 K10 L13 F34 I64 H69 E70 Q74 R75 Y76I7-V72 HydrophobicContact CD1-CG1 4.49Å; I7-V72 HydrophobicContact CD1-CG2 4.17Å; K10-V72 HydrophobicContact CB-CG2 4.03Å; K10-V72 HydrophobicContact CG-CG2 4.35Å; L13-V72 HydrophobicContact CD2-CG1 3.46Å; L13-V72 VanDerWaalsContact CD2-CG1 3.46Å; F34-V72 HydrophobicContact CE1-CG1 4.07Å; F34-V72 HydrophobicContact CZ-CG1 4.37Å; I64-V72 HydrophobicContact CD1-CG1 4.09Å; I64-V72 HydrophobicContact CG2-CB 4.45Å; I64-V72 HydrophobicContact CG2-CG1 4.17Å; H69-V72 HydrophobicContact CB-CB 4.13Å; H69-V72 HydrophobicContact CB-CG2 4.11Å; H69-V72 WeakPolarHBondContact O-CB 3.31Å; H69-V72 PolarHBondContact O-N 3.25Å; H69-V72 VanDerWaalsContact O-N 3.1Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 2.91Å; V72-Q74 VanDerWaalsContact C-N 3.29Å; V72-Q74 PolarHBondContact O-N 3.17Å; V72-R75 WeakPolarHBondContact O-CB 3.16Å; V72-R75 PolarHBondContact O-N 2.92Å; V72-Y76 HydrophobicContact CG1-CD2 4.06Å; V72-Y76 HydrophobicContact CG1-CE2 4.17Å; V72-Y76 WeakPolarHBondContact O-CD2 3.44Å; V72-Y76 PolarHBondContact O-N 3.38Å
73A93.9Very high94.4Very high9 Ų960.2 Ų60.27%0.07428%0.282CS..Hα-helixtrans-59.1-40.6176.500000111.9F34 V66 H69 E70 Y76 N77 V78F34-A73 HydrophobicContact CD1-CB 4.36Å; F34-A73 HydrophobicContact CE1-CB 4.46Å; V66-A73 HydrophobicContact CB-CB 4.15Å; V66-A73 HydrophobicContact CG1-CB 3.92Å; H69-A73 PolarHBondContact O-N 2.96Å; E70-A73 PolarHBondContact O-N 3.38Å; A73-Y76 CarbonylContact O-C 3.59Å; A73-Y76 PolarHBondContact O-N 2.83Å; A73-N77 PolarHBondContact O-N 3.48Å; A73-N77 VanDerWaalsContact O-N 3.09Å; A73-V78 HydrophobicContact CB-CB 4.34Å; A73-V78 PolarHBondContact O-N 3.45Å
74Q92.2Very high94.4Very high158 Ų15858.2 Ų58.274%0.73827%0.274SS*.Hα-helixtrans-66-45.3175.9-170.9-178.318.600112E70 V72 Y76 N77E70-Q74 WeakPolarHBondContact O-CB 3.42Å; E70-Q74 PolarHBondContact O-N 3.23Å; V72-Q74 VanDerWaalsContact C-N 3.29Å; V72-Q74 PolarHBondContact O-N 3.17Å; Q74-Y76 PolarHBondContact O-N 3.32Å; Q74-N77 PolarHBondContact O-N 3.26Å
75R91.4Very high94.4Very high134 Ų13458.2 Ų58.251%0.50627%0.274SS..Hα-helixtrans-54.1-39.9176.7178-178.1-178.6164.24.9111.9E14 D71 V72E14-R75 IonicContact OE1-CZ 2.65Å; E14-R75 IonicContact OE1-NH1 3.04Å; E14-R75 PolarHBondContact OE1-NH1 3.38Å; E14-R75 IonicContact OE1-NH2 2.71Å; D71-R75 WeakPolarHBondContact O-CB 3.41Å; D71-R75 PolarHBondContact O-N 3.17Å; V72-R75 WeakPolarHBondContact O-CB 3.16Å; V72-R75 PolarHBondContact O-N 2.92Å
76Y92.5Very high94.3Very high25 Ų2557.9 Ų57.910%0.09827%0.272CS..THydrogen-bonded Turntrans-93.29.7178.4-71.6-77.6000113.6L13 M32 F34 V72 A73 Q74 V78 I85 L87 R95L13-Y76 HydrophobicContact CD2-CE2 3.98Å; M32-Y76 HydrophobicContact CE-CD1 4.01Å; M32-Y76 HydrophobicContact CE-CD2 4.41Å; M32-Y76 HydrophobicContact CE-CE1 3.64Å; M32-Y76 HydrophobicContact CE-CE2 4.06Å; M32-Y76 HydrophobicContact CE-CG 4.39Å; M32-Y76 HydrophobicContact SD-CE2 4.21Å; F34-Y76 HydrophobicContact CE1-CD2 4.43Å; F34-Y76 AromaticContact CZ-CD2 3.7Å; F34-Y76 HydrophobicContact CZ-CD2 3.7Å; F34-Y76 HydrophobicContact CZ-CE2 4.5Å; F34-Y76 AromaticContact CZ-CG 3.94Å; F34-Y76 HydrophobicContact CZ-CG 3.94Å; V72-Y76 HydrophobicContact CG1-CD2 4.06Å; V72-Y76 HydrophobicContact CG1-CE2 4.17Å; V72-Y76 WeakPolarHBondContact O-CD2 3.44Å; V72-Y76 PolarHBondContact O-N 3.38Å; A73-Y76 CarbonylContact O-C 3.59Å; A73-Y76 PolarHBondContact O-N 2.83Å; Q74-Y76 PolarHBondContact O-N 3.32Å; Y76-V78 VanDerWaalsContact C-N 3.28Å; Y76-V78 PolarHBondContact O-N 2.82Å; Y76-I85 HydrophobicContact CD1-CD1 3.94Å; Y76-I85 HydrophobicContact CD1-CG2 4.36Å; Y76-I85 HydrophobicContact CG-CD1 4Å; Y76-L87 HydrophobicContact CE1-CD1 4.45Å; Y76-L87 HydrophobicContact CE1-CD2 4.13Å; Y76-R95 PolarHBondContact O-NH2 2.82Å
77N92.5Very high94.1Very high84 Ų8457 Ų5745%0.44927%0.266SS..THydrogen-bonded Turntrans48.448.7179-169.435.8000112.5A73 Q74 R79 R95A73-N77 PolarHBondContact O-N 3.48Å; A73-N77 VanDerWaalsContact O-N 3.09Å; Q74-N77 PolarHBondContact O-N 3.26Å; N77-R79 PolarHBondContact OD1-NE 3.06Å; N77-R79 PolarHBondContact OD1-NH2 2.84Å; N77-R95 PolarHBondContact O-NH1 3.17Å; N77-R95 VanDerWaalsContact O-NH1 3.11Å
78V92.2Very high93.7Very high23 Ų2358.1 Ų58.114%0.13927%0.265CS..  trans-81.9121.51761770000108.8F34 A73 Y76 L81 T83 I85F34-V78 HydrophobicContact CB-CG1 3.97Å; F34-V78 HydrophobicContact CB-CG2 4.27Å; F34-V78 HydrophobicContact CD1-CB 4.38Å; F34-V78 HydrophobicContact CD1-CG1 4.47Å; F34-V78 HydrophobicContact CD1-CG2 3.72Å; F34-V78 HydrophobicContact CD2-CG2 3.9Å; F34-V78 HydrophobicContact CE1-CG2 3.91Å; F34-V78 HydrophobicContact CE2-CG2 4.1Å; F34-V78 HydrophobicContact CG-CB 4.49Å; F34-V78 HydrophobicContact CG-CG1 4.28Å; F34-V78 HydrophobicContact CG-CG2 3.7Å; F34-V78 HydrophobicContact CZ-CG2 4.1Å; A73-V78 HydrophobicContact CB-CB 4.34Å; A73-V78 PolarHBondContact O-N 3.45Å; Y76-V78 VanDerWaalsContact C-N 3.28Å; Y76-V78 PolarHBondContact O-N 2.82Å; V78-L81 HydrophobicContact CG1-CD2 3.98Å; V78-T83 HydrophobicContact CG2-CG2 4.34Å; V78-I85 HydrophobicContact CG2-CD1 4.25Å
79R88Confident93Very high205 Ų20551.2 Ų51.277%0.77424%0.237SC*.  trans-121.9-6.3-175.9-59.8-176.2-175.4177.7-2.1113.7N77N77-R79 PolarHBondContact OD1-NE 3.06Å; N77-R79 PolarHBondContact OD1-NH2 2.84Å
80S91.8Very high92.2Very high53 Ų5354.9 Ų54.937%0.37127%0.27SS..SBendtrans-154152.9-175.949.70000109.8T83 T97S80-T83 PolarHBondContact O-OG1 3.28Å; S80-T97 WeakPolarHBondContact OG-CG2 3.49Å
81L94.9Very high91.8Very high36 Ų3654.6 Ų54.619%0.18827%0.269CS..SBendtrans-126.6148.7-173.7-56.2175.1000111.6F34 A36 W38 C39 V66 V78F34-L81 HydrophobicContact CB-CD2 4.21Å; F34-L81 WeakPolarHBondContact O-CD2 3.46Å; A36-L81 HydrophobicContact CB-CD1 3.49Å; A36-L81 VanDerWaalsContact CB-CD1 3.49Å; W38-L81 HydrophobicContact CH2-CD1 3.65Å; W38-L81 HydrophobicContact CZ2-CD1 3.91Å; W38-L81 HydrophobicContact CZ3-CD1 4.34Å; C39-L81 HydrophobicContact CB-CB 4.46Å; V66-L81 HydrophobicContact CG1-CD2 3.74Å; V66-L81 HydrophobicContact CG2-CD1 3.68Å; V66-L81 HydrophobicContact CG2-CD2 4.13Å; V66-L81 HydrophobicContact CG2-CG 4.48Å; V78-L81 HydrophobicContact CG1-CD2 3.98Å
82P97.4Very high91.6Very high0 Ų054.9 Ų54.90%027%0.268CS..SBendcis-68151.1-14.229.7-33.5000110.5F34 C42 I45 F84 G98F34-P82 VanDerWaalsContact O-CA 3.31Å; F34-P82 WeakPolarHBondContact O-CA 3.47Å; C42-P82 HydrophobicContact CB-CB 4.41Å; I45-P82 HydrophobicContact CG2-CB 4.44Å; I45-P82 HydrophobicContact CG2-CG 3.98Å; P82-F84 HydrophobicContact CB-CE2 4Å; P82-F84 HydrophobicContact CB-CZ 3.98Å; P82-F84 HydrophobicContact CG-CE2 4.03Å; P82-F84 HydrophobicContact CG-CZ 4.24Å; P82-G98 PolarHBondContact O-N 3.44Å
83T96.6Very high91.3Very high1 Ų157.4 Ų57.41%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-124.4127.7167.3-74.50000108.6F34 V78 S80 I85 R95 I96 T97F34-T83 WeakPolarHBondContact CB-O 3.45Å; F34-T83 WeakPolarHBondContact CD2-O 3.31Å; F34-T83 PolarHBondContact N-O 2.94Å; F34-T83 PolarHBondContact O-N 3.09Å; F34-T83 VanDerWaalsContact O-N 3.12Å; V78-T83 HydrophobicContact CG2-CG2 4.34Å; S80-T83 PolarHBondContact O-OG1 3.28Å; T83-I85 HydrophobicContact CG2-CD1 4.44Å; T83-I85 HydrophobicContact CG2-CG1 4.01Å; T83-R95 HydrophobicContact CG2-CG 4.11Å; T83-I96 CarbonylContact C-O 3.59Å; T83-I96 WeakPolarHBondContact CA-O 3.41Å; T83-T97 PolarHBondContact OG1-OG1 3.31Å
84F98.1Very high91.3Very high0 Ų059.1 Ų59.10%029%0.288CS..EExtended strand (participates in β ladder)trans-101.6131.3174.2-53.1-84.2000110.1M32 D33 I45 F49 P82 F86 R95 I96 L104M32-F84 CarbonylContact O-C 3.53Å; M32-F84 WeakPolarHBondContact O-CA 3.37Å; D33-F84 HydrophobicContact CB-CD1 3.92Å; D33-F84 HydrophobicContact CB-CE1 3.73Å; D33-F84 WeakPolarHBondContact OD1-CE1 3.42Å; I45-F84 HydrophobicContact CD1-CE2 3.77Å; I45-F84 HydrophobicContact CD1-CZ 3.73Å; I45-F84 HydrophobicContact CG1-CZ 4.13Å; I45-F84 HydrophobicContact CG2-CZ 3.78Å; F49-F84 AromaticContact CD2-CD1 3.96Å; F49-F84 HydrophobicContact CD2-CD1 3.96Å; F49-F84 AromaticContact CD2-CE1 3.68Å; F49-F84 HydrophobicContact CD2-CE1 3.68Å; F49-F84 AromaticContact CE2-CD1 3.97Å; F49-F84 HydrophobicContact CE2-CD1 3.97Å; F49-F84 HydrophobicContact CE2-CE1 4.11Å; P82-F84 HydrophobicContact CB-CE2 4Å; P82-F84 HydrophobicContact CB-CZ 3.98Å; P82-F84 HydrophobicContact CG-CE2 4.03Å; P82-F84 HydrophobicContact CG-CZ 4.24Å; F84-F86 HydrophobicContact CB-CE2 4Å; F84-F86 HydrophobicContact CB-CZ 4.23Å; F84-R95 CarbonylContact O-C 3.51Å; F84-R95 VanDerWaalsContact O-CA 3.3Å; F84-R95 WeakPolarHBondContact O-CA 3.38Å; F84-I96 HydrophobicContact CB-CB 4.25Å; F84-I96 HydrophobicContact CD2-CB 4.21Å; F84-I96 HydrophobicContact CD2-CG2 4.2Å; F84-I96 PolarHBondContact N-O 2.96Å; F84-I96 PolarHBondContact O-N 3.37Å; F84-L104 HydrophobicContact CB-CD1 4.24Å; F84-L104 HydrophobicContact CD1-CD1 3.82Å; F84-L104 HydrophobicContact CD1-CD2 4.23Å; F84-L104 HydrophobicContact CD2-CD1 4.18Å; F84-L104 HydrophobicContact CE1-CD1 4.24Å; F84-L104 HydrophobicContact CE1-CD2 3.78Å; F84-L104 HydrophobicContact CE2-CD2 4.3Å; F84-L104 HydrophobicContact CG-CD1 3.79Å; F84-L104 HydrophobicContact CZ-CD2 3.82Å
85I96.3Very high91.3Very high0 Ų055.2 Ų55.20%027%0.267CS..EExtended strand (participates in β ladder)trans-123.7134.8176.3-62.5-175.4000108.8M32 F34 Y76 V78 T83 L87 Q92M32-I85 HydrophobicContact CB-CB 4.44Å; M32-I85 HydrophobicContact CE-CB 3.61Å; M32-I85 HydrophobicContact CE-CG2 3.42Å; M32-I85 VanDerWaalsContact CE-CG2 3.42Å; M32-I85 PolarHBondContact N-O 3.38Å; M32-I85 PolarHBondContact O-N 3.45Å; F34-I85 HydrophobicContact CD2-CD1 4.27Å; F34-I85 HydrophobicContact CD2-CG1 4.34Å; F34-I85 HydrophobicContact CE2-CB 4.23Å; F34-I85 HydrophobicContact CE2-CD1 3.65Å; F34-I85 HydrophobicContact CE2-CG1 3.98Å; F34-I85 HydrophobicContact CZ-CD1 4.29Å; Y76-I85 HydrophobicContact CD1-CD1 3.94Å; Y76-I85 HydrophobicContact CD1-CG2 4.36Å; Y76-I85 HydrophobicContact CG-CD1 4Å; V78-I85 HydrophobicContact CG2-CD1 4.25Å; T83-I85 HydrophobicContact CG2-CD1 4.44Å; T83-I85 HydrophobicContact CG2-CG1 4.01Å; I85-L87 HydrophobicContact CG2-CD2 3.93Å; I85-Q92 HydrophobicContact CG2-CG 3.68Å
86F95.7Very high91.4Very high0 Ų048.9 Ų48.90%024%0.243CC..EExtended strand (participates in β ladder)trans-111.5123.6-178-56.9-97.8000108.5V30 V31 F84 Q92 I93 D94 I96 L104 K107 V108 L111V30-F86 WeakPolarHBondContact O-CA 3.29Å; V31-F86 HydrophobicContact CB-CD1 4.36Å; V31-F86 HydrophobicContact CB-CE1 4.43Å; V31-F86 HydrophobicContact CG1-CD1 3.84Å; V31-F86 HydrophobicContact CG1-CE1 3.54Å; V31-F86 HydrophobicContact CG1-CZ 4.14Å; V31-F86 HydrophobicContact CG2-CD1 3.9Å; V31-F86 HydrophobicContact CG2-CE1 4.1Å; F84-F86 HydrophobicContact CB-CE2 4Å; F84-F86 HydrophobicContact CB-CZ 4.23Å; F86-Q92 WeakPolarHBondContact O-CA 3.43Å; F86-I93 HydrophobicContact CB-CD1 4.37Å; F86-I93 HydrophobicContact CB-CG1 3.86Å; F86-I93 VanDerWaalsContact O-CG1 3.31Å; F86-I93 WeakPolarHBondContact O-CG1 3.45Å; F86-I93 PolarHBondContact O-N 2.88Å; F86-D94 HydrophobicContact CB-CB 4.06Å; F86-D94 HydrophobicContact CD2-CB 3.78Å; F86-D94 HydrophobicContact CG-CB 4.16Å; F86-D94 PolarHBondContact N-O 3.39Å; F86-D94 PolarHBondContact O-N 3.3Å; F86-I96 HydrophobicContact CE2-CD1 3.87Å; F86-I96 HydrophobicContact CE2-CG1 4.01Å; F86-I96 HydrophobicContact CZ-CD1 3.91Å; F86-L104 HydrophobicContact CZ-CD1 3.98Å; F86-K107 HydrophobicContact CD1-CG 4.27Å; F86-K107 HydrophobicContact CD2-CG 4.19Å; F86-K107 HydrophobicContact CE1-CB 4.38Å; F86-K107 HydrophobicContact CE1-CG 3.74Å; F86-K107 HydrophobicContact CE2-CG 3.69Å; F86-K107 HydrophobicContact CG-CG 4.46Å; F86-K107 HydrophobicContact CZ-CB 3.98Å; F86-K107 HydrophobicContact CZ-CG 3.43Å; F86-K107 VanDerWaalsContact CZ-CG 3.43Å; F86-V108 HydrophobicContact CE1-CG2 3.86Å; F86-L111 HydrophobicContact CB-CD1 3.69Å; F86-L111 HydrophobicContact CD1-CD1 3.23Å; F86-L111 HydrophobicContact CE1-CD1 3.98Å; F86-L111 HydrophobicContact CG-CD1 3.61Å
87L91.6Very high91.4Very high1 Ų150.9 Ų50.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-112.1140.6176.5-53.4-178.5000110.5I17 I29 V30 M32 Y76 I85 E91 Q92I17-L87 HydrophobicContact CD1-CD1 3.57Å; I17-L87 HydrophobicContact CG1-CD1 3.92Å; I29-L87 VanDerWaalsContact CA-O 3.25Å; I29-L87 WeakPolarHBondContact CA-O 3.4Å; V30-L87 HydrophobicContact CB-CB 4.28Å; V30-L87 PolarHBondContact N-O 3.3Å; V30-L87 PolarHBondContact O-N 3.28Å; M32-L87 HydrophobicContact CE-CD1 3.67Å; M32-L87 HydrophobicContact CE-CD2 4Å; M32-L87 HydrophobicContact CE-CG 3.73Å; M32-L87 HydrophobicContact SD-CD1 4.1Å; Y76-L87 HydrophobicContact CE1-CD1 4.45Å; Y76-L87 HydrophobicContact CE1-CD2 4.13Å; I85-L87 HydrophobicContact CG2-CD2 3.93Å; L87-E91 CarbonylContact C-O 3.54Å; L87-E91 WeakPolarHBondContact CA-O 3.43Å; L87-Q92 HydrophobicContact CD2-CB 3.85Å; L87-Q92 HydrophobicContact CD2-CG 4.3Å
88R86.4Confident91.2Very high101 Ų10148 Ų4838%0.38125%0.248SC..EExtended strand (participates in β ladder)trans-113.3104.9160.1-176.5176.4-67.9-179.5-3.6107.1S28 A90 E91 I93 S114S28-R88 WeakPolarHBondContact O-CA 3.28Å; R88-A90 PolarHBondContact O-N 3.43Å; R88-E91 PolarHBondContact N-O 3.02Å; R88-E91 PolarHBondContact O-N 3.45Å; R88-E91 VanDerWaalsContact O-N 3.17Å; R88-I93 HydrophobicContact CB-CD1 4.12Å; R88-I93 HydrophobicContact CB-CG2 3.73Å; R88-S114 PolarHBondContact NH2-OG 3.48Å
89G80.9Confident91Very high6 Ų648.3 Ų48.36%0.06226%0.255CS..THydrogen-bonded Turntrans54.4-124.9-161.800000113.1I17 N21 S28I17-G89 VanDerWaalsContact CG2-O 3.29Å; I17-G89 WeakPolarHBondContact CG2-O 3.24Å; N21-G89 WeakPolarHBondContact OD1-CA 3.4Å; N21-G89 PolarHBondContact OD1-N 3.42Å; S28-G89 PolarHBondContact O-N 3.02Å
90A80.2Confident91.1Very high96 Ų9642.2 Ų42.279%0.79324%0.241SC*.THydrogen-bonded Turntrans-85.9-8.7-179.500000113.5R88R88-A90 PolarHBondContact O-N 3.43Å
91E85.5Confident91.1Very high134 Ų13442 Ų4263%0.62624%0.239SC*.EExtended strand (participates in β ladder)trans-88.2130.1-176.7-175179.1-172.300111L87 R88 I93L87-E91 CarbonylContact C-O 3.54Å; L87-E91 WeakPolarHBondContact CA-O 3.43Å; R88-E91 PolarHBondContact N-O 3.02Å; R88-E91 PolarHBondContact O-N 3.45Å; R88-E91 VanDerWaalsContact O-N 3.17Å; E91-I93 HydrophobicContact CG-CG2 4.34Å; E91-I93 PolarHBondContact O-N 2.95Å
92Q89.6Confident90.8Very high86 Ų8645.1 Ų45.140%0.40225%0.252SS..EExtended strand (participates in β ladder)trans-78111.4168.8-177-175.1-58.200109.7I85 F86 L87I85-Q92 HydrophobicContact CG2-CG 3.68Å; F86-Q92 WeakPolarHBondContact O-CA 3.43Å; L87-Q92 HydrophobicContact CD2-CB 3.85Å; L87-Q92 HydrophobicContact CD2-CG 4.3Å
93I90.5Very high90.5Very high53 Ų5350.3 Ų50.327%0.27228%0.275SS..EExtended strand (participates in β ladder)trans-94.9-22.4-177.158.3167.4000113.3I29 F86 R88 E91 L111I29-I93 HydrophobicContact CD1-CD1 4.2Å; F86-I93 HydrophobicContact CB-CD1 4.37Å; F86-I93 HydrophobicContact CB-CG1 3.86Å; F86-I93 VanDerWaalsContact O-CG1 3.31Å; F86-I93 WeakPolarHBondContact O-CG1 3.45Å; F86-I93 PolarHBondContact O-N 2.88Å; R88-I93 HydrophobicContact CB-CD1 4.12Å; R88-I93 HydrophobicContact CB-CG2 3.73Å; E91-I93 HydrophobicContact CG-CG2 4.34Å; E91-I93 PolarHBondContact O-N 2.95Å; I93-L111 HydrophobicContact CD1-CD1 3.95Å; I93-L111 HydrophobicContact CD1-CD2 3.48Å; I93-L111 VanDerWaalsContact CD1-CD2 3.48Å; I93-L111 HydrophobicContact CD1-CG 4.33Å
94D92.3Very high90.4Very high45 Ų4550.3 Ų50.324%0.24127%0.274CS..EExtended strand (participates in β ladder)trans-160.1166.9177.9-145.1-46000112.7F86 K107F86-D94 HydrophobicContact CB-CB 4.06Å; F86-D94 HydrophobicContact CD2-CB 3.78Å; F86-D94 HydrophobicContact CG-CB 4.16Å; F86-D94 PolarHBondContact N-O 3.39Å; F86-D94 PolarHBondContact O-N 3.3Å; D94-K107 HydrophobicContact CB-CD 4.23Å; D94-K107 WeakPolarHBondContact OD2-CD 2.99Å; D94-K107 WeakPolarHBondContact OD2-CE 3.11Å; D94-K107 IonicContact OD2-NZ 2.88Å; D94-K107 PolarHBondContact OD2-NZ 3.12Å
95R93.9Very high90.3Very high76 Ų7654 Ų5429%0.28729%0.288SS..EExtended strand (participates in β ladder)trans-147.7135.1174.8176.7-179.4-65.4-135-2.1111.6Y76 N77 T83 F84Y76-R95 PolarHBondContact O-NH2 2.82Å; N77-R95 PolarHBondContact O-NH1 3.17Å; N77-R95 VanDerWaalsContact O-NH1 3.11Å; T83-R95 HydrophobicContact CG2-CG 4.11Å; F84-R95 CarbonylContact O-C 3.51Å; F84-R95 VanDerWaalsContact O-CA 3.3Å; F84-R95 WeakPolarHBondContact O-CA 3.38Å
96I93.3Very high90.1Very high2 Ų257.7 Ų57.71%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-120130.9167.2-61.9169000109.1T83 F84 F86 K103 K107T83-I96 CarbonylContact C-O 3.59Å; T83-I96 WeakPolarHBondContact CA-O 3.41Å; F84-I96 HydrophobicContact CB-CB 4.25Å; F84-I96 HydrophobicContact CD2-CB 4.21Å; F84-I96 HydrophobicContact CD2-CG2 4.2Å; F84-I96 PolarHBondContact N-O 2.96Å; F84-I96 PolarHBondContact O-N 3.37Å; F86-I96 HydrophobicContact CE2-CD1 3.87Å; F86-I96 HydrophobicContact CE2-CG1 4.01Å; F86-I96 HydrophobicContact CZ-CD1 3.91Å; I96-K103 HydrophobicContact CD1-CG 4.02Å; I96-K103 WeakPolarHBondContact CD1-O 3.35Å; I96-K103 HydrophobicContact CG1-CD 4.49Å; I96-K103 HydrophobicContact CG1-CG 4.36Å; I96-K103 HydrophobicContact CG2-CD 3.87Å; I96-K103 HydrophobicContact CG2-CG 4.25Å; I96-K107 HydrophobicContact CD1-CB 3.63Å; I96-K107 HydrophobicContact CD1-CG 3.95Å
97T91.2Very high89.9Confident67 Ų6759.2 Ų59.241%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-110137.6170-65.90000109.6S80 T83S80-T97 WeakPolarHBondContact OG-CG2 3.49Å; T83-T97 PolarHBondContact OG1-OG1 3.31Å
98G88.5Confident90Very high23 Ų2359.2 Ų59.224%0.23732%0.315CS..SBendtrans96154.8179.900000113.8P82 V100P82-G98 PolarHBondContact O-N 3.44Å; G98-V100 PolarHBondContact O-N 3.03Å; G98-V100 VanDerWaalsContact O-N 3.13Å
99G88.1Confident90.1Very high29 Ų2956.8 Ų56.830%0.29931%0.308SS..  trans-86.266.2-177.800000112.8P101G99-P101 WeakPolarHBondContact O-CD 3.5Å
100V90.8Very high90.4Very high77 Ų7760.7 Ų60.747%0.46733%0.325SS..  trans-104.2101.6176.5-176.30000110G98 Q102 K103 L104G98-V100 PolarHBondContact O-N 3.03Å; G98-V100 VanDerWaalsContact O-N 3.13Å; V100-Q102 PolarHBondContact O-N 3.18Å; V100-K103 HydrophobicContact CB-CB 4.02Å; V100-K103 HydrophobicContact CG1-CB 3.88Å; V100-K103 PolarHBondContact O-N 2.05Å; V100-L104 PolarHBondContact O-N 3.32Å
101P91.1Very high90.8Very high50 Ų5056.7 Ų56.733%0.32529%0.29SS..Hα-helixtrans-52-48.3-175-3539.9000114.8V48 G99 K103 L104 R105V48-P101 HydrophobicContact CG1-CB 4.43Å; V48-P101 HydrophobicContact CG2-CB 4.01Å; V48-P101 HydrophobicContact CG2-CG 4.32Å; G99-P101 WeakPolarHBondContact O-CD 3.5Å; P101-K103 PolarHBondContact O-N 3.25Å; P101-L104 PolarHBondContact O-N 2.94Å; P101-R105 WeakPolarHBondContact O-CG 3.38Å; P101-R105 PolarHBondContact O-N 2.94Å
102Q89.1Confident90.7Very high101 Ų10151.1 Ų51.147%0.47227%0.267SS..Hα-helixtrans-64.7-43.8-174.9-167.15836.300111.4V100 L104 R105 D106V100-Q102 PolarHBondContact O-N 3.18Å; Q102-L104 VanDerWaalsContact C-N 3.29Å; Q102-L104 PolarHBondContact O-N 3.08Å; Q102-R105 PolarHBondContact O-N 3.06Å; Q102-R105 VanDerWaalsContact O-N 3.13Å; Q102-D106 PolarHBondContact NE2-OD1 3.24Å; Q102-D106 WeakPolarHBondContact O-CB 3.26Å; Q102-D106 PolarHBondContact O-N 3.46Å
103K90.9Very high90.1Very high109 Ų10948.9 Ų48.947%0.47426%0.257SS..Hα-helixtrans-58.4-40.5177.2-168.4177178178.70112.2I96 V100 P101 K107I96-K103 HydrophobicContact CD1-CG 4.02Å; I96-K103 WeakPolarHBondContact CD1-O 3.35Å; I96-K103 HydrophobicContact CG1-CD 4.49Å; I96-K103 HydrophobicContact CG1-CG 4.36Å; I96-K103 HydrophobicContact CG2-CD 3.87Å; I96-K103 HydrophobicContact CG2-CG 4.25Å; V100-K103 HydrophobicContact CB-CB 4.02Å; V100-K103 HydrophobicContact CG1-CB 3.88Å; V100-K103 PolarHBondContact O-N 2.05Å; P101-K103 PolarHBondContact O-N 3.25Å; K103-K107 WeakPolarHBondContact O-CB 3.42Å; K103-K107 PolarHBondContact O-N 3.04Å; K103-K107 VanDerWaalsContact O-N 3.17Å
104L95.3Very high89Confident0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-67.4-45.6175.6178.463.3000111.8I45 F49 L52 F84 F86 V100 P101 Q102 K107 V108I45-L104 HydrophobicContact CD1-CB 4.2Å; I45-L104 HydrophobicContact CD1-CD2 3.84Å; I45-L104 HydrophobicContact CG1-CD2 3.98Å; F49-L104 HydrophobicContact CB-CD2 4.44Å; F49-L104 HydrophobicContact CD2-CD2 4.14Å; L52-L104 HydrophobicContact CD1-CD2 4.01Å; L52-L104 HydrophobicContact CD1-CG 3.74Å; F84-L104 HydrophobicContact CB-CD1 4.24Å; F84-L104 HydrophobicContact CD1-CD1 3.82Å; F84-L104 HydrophobicContact CD1-CD2 4.23Å; F84-L104 HydrophobicContact CD2-CD1 4.18Å; F84-L104 HydrophobicContact CE1-CD1 4.24Å; F84-L104 HydrophobicContact CE1-CD2 3.78Å; F84-L104 HydrophobicContact CE2-CD2 4.3Å; F84-L104 HydrophobicContact CG-CD1 3.79Å; F84-L104 HydrophobicContact CZ-CD2 3.82Å; F86-L104 HydrophobicContact CZ-CD1 3.98Å; V100-L104 PolarHBondContact O-N 3.32Å; P101-L104 PolarHBondContact O-N 2.94Å; Q102-L104 VanDerWaalsContact C-N 3.29Å; Q102-L104 PolarHBondContact O-N 3.08Å; L104-K107 PolarHBondContact O-N 3.2Å; L104-V108 HydrophobicContact CD1-CG2 4.18Å; L104-V108 WeakPolarHBondContact O-CG2 3.34Å; L104-V108 PolarHBondContact O-N 3.14Å
105R95.2Very high87.2Confident77 Ų7747.3 Ų47.329%0.29126%0.257SS..Hα-helixtrans-59.3-48.6177.5-69.9-171.6-172.6116.70.1111.6V48 E51 L52 P101 Q102 K107 V108 Q109V48-R105 HydrophobicContact CG1-CG 3.8Å; E51-R105 IonicContact OE2-NE 3.92Å; E51-R105 IonicContact OE2-NH2 2.72Å; L52-R105 HydrophobicContact CD1-CG 4.24Å; L52-R105 HydrophobicContact CD2-CB 4.47Å; L52-R105 HydrophobicContact CD2-CG 4.17Å; P101-R105 WeakPolarHBondContact O-CG 3.38Å; P101-R105 PolarHBondContact O-N 2.94Å; Q102-R105 PolarHBondContact O-N 3.06Å; Q102-R105 VanDerWaalsContact O-N 3.13Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 3.47Å; R105-V108 PolarHBondContact O-N 3.04Å; R105-Q109 VanDerWaalsContact O-CB 3.24Å; R105-Q109 WeakPolarHBondContact O-CB 3.21Å; R105-Q109 PolarHBondContact O-N 3.47Å
106D91Very high84.9Confident78 Ų7848.4 Ų48.442%0.41728%0.277SS..Hα-helixtrans-59.5-44.6-178.9-64.4-19.2000110.5Q102 Q109 E110Q102-D106 PolarHBondContact NE2-OD1 3.24Å; Q102-D106 WeakPolarHBondContact O-CB 3.26Å; Q102-D106 PolarHBondContact O-N 3.46Å; D106-Q109 PolarHBondContact O-N 3.26Å; D106-E110 WeakPolarHBondContact O-CB 3.41Å; D106-E110 PolarHBondContact O-N 3.4Å
107K92.8Very high82.3Confident33 Ų3353.9 Ų53.914%0.14331%0.306CS..Hα-helixtrans-68.2-45.1-179.2-174.555.457.1176.30113.3F86 D94 I96 K103 L104 R105 Q109 E110 L111F86-K107 HydrophobicContact CD1-CG 4.27Å; F86-K107 HydrophobicContact CD2-CG 4.19Å; F86-K107 HydrophobicContact CE1-CB 4.38Å; F86-K107 HydrophobicContact CE1-CG 3.74Å; F86-K107 HydrophobicContact CE2-CG 3.69Å; F86-K107 HydrophobicContact CG-CG 4.46Å; F86-K107 HydrophobicContact CZ-CB 3.98Å; F86-K107 HydrophobicContact CZ-CG 3.43Å; F86-K107 VanDerWaalsContact CZ-CG 3.43Å; D94-K107 HydrophobicContact CB-CD 4.23Å; D94-K107 WeakPolarHBondContact OD2-CD 2.99Å; D94-K107 WeakPolarHBondContact OD2-CE 3.11Å; D94-K107 IonicContact OD2-NZ 2.88Å; D94-K107 PolarHBondContact OD2-NZ 3.12Å; I96-K107 HydrophobicContact CD1-CB 3.63Å; I96-K107 HydrophobicContact CD1-CG 3.95Å; K103-K107 WeakPolarHBondContact O-CB 3.42Å; K103-K107 PolarHBondContact O-N 3.04Å; K103-K107 VanDerWaalsContact O-N 3.17Å; L104-K107 PolarHBondContact O-N 3.2Å; R105-K107 VanDerWaalsContact C-N 3.31Å; R105-K107 PolarHBondContact O-N 3.47Å; K107-Q109 VanDerWaalsContact C-N 3.25Å; K107-Q109 PolarHBondContact O-N 3.18Å; K107-E110 VanDerWaalsContact CE-OE2 3.23Å; K107-E110 WeakPolarHBondContact CE-OE2 3.39Å; K107-E110 IonicContact NZ-OE1 2.69Å; K107-E110 PolarHBondContact NZ-OE1 2.69Å; K107-E110 IonicContact NZ-OE2 2.66Å; K107-E110 PolarHBondContact NZ-OE2 3.25Å; K107-E110 PolarHBondContact O-N 2.88Å; K107-L111 HydrophobicContact CD-CD1 4.2Å; K107-L111 HydrophobicContact CD-CG 4.18Å; K107-L111 HydrophobicContact CG-CD1 4.25Å; K107-L111 WeakPolarHBondContact O-CB 3.45Å; K107-L111 VanDerWaalsContact O-CG 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.23Å; K107-L111 PolarHBondContact O-N 3.01Å
108V92.5Very high79.6Confident0 Ų056.2 Ų56.20%033%0.325CS..Hα-helixtrans-60.6-41.3175.5169.90000110.3V31 L52 Y56 M59 F61 F86 L104 R105 L111 A112V31-V108 HydrophobicContact CG1-CG2 4.45Å; V31-V108 HydrophobicContact CG2-CG2 4.43Å; L52-V108 HydrophobicContact CB-CG1 4.42Å; L52-V108 HydrophobicContact CD1-CB 4.31Å; L52-V108 HydrophobicContact CD1-CG2 4.02Å; L52-V108 HydrophobicContact CD2-CB 4.31Å; L52-V108 HydrophobicContact CD2-CG1 4.15Å; Y56-V108 HydrophobicContact CD2-CG1 3.31Å; Y56-V108 HydrophobicContact CE2-CG1 3.57Å; Y56-V108 HydrophobicContact CG-CG1 3.82Å; M59-V108 HydrophobicContact SD-CG1 3.91Å; F61-V108 HydrophobicContact CE1-CG1 4.33Å; F61-V108 HydrophobicContact CE1-CG2 4.13Å; F61-V108 HydrophobicContact CZ-CG1 3.75Å; F61-V108 HydrophobicContact CZ-CG2 4.33Å; F86-V108 HydrophobicContact CE1-CG2 3.86Å; L104-V108 HydrophobicContact CD1-CG2 4.18Å; L104-V108 WeakPolarHBondContact O-CG2 3.34Å; L104-V108 PolarHBondContact O-N 3.14Å; R105-V108 PolarHBondContact O-N 3.04Å; V108-L111 PolarHBondContact O-N 2.86Å; V108-A112 WeakPolarHBondContact O-CB 3.35Å; V108-A112 PolarHBondContact O-N 3.09Å
109Q89.8Confident77Confident51 Ų5164.1 Ų64.124%0.23836%0.356CS..Hα-helixtrans-64.3-46.7177.6-177.5166.24.900112.8Y56 R105 D106 K107 L111 A112 L113Y56-Q109 WeakPolarHBondContact OH-CA 3.43Å; Y56-Q109 VanDerWaalsContact OH-CB 3.28Å; Y56-Q109 WeakPolarHBondContact OH-CB 2.98Å; Y56-Q109 WeakPolarHBondContact OH-CG 3.3Å; R105-Q109 VanDerWaalsContact O-CB 3.24Å; R105-Q109 WeakPolarHBondContact O-CB 3.21Å; R105-Q109 PolarHBondContact O-N 3.47Å; D106-Q109 PolarHBondContact O-N 3.26Å; K107-Q109 VanDerWaalsContact C-N 3.25Å; K107-Q109 PolarHBondContact O-N 3.18Å; Q109-L111 VanDerWaalsContact C-N 3.32Å; Q109-L111 PolarHBondContact O-N 2.97Å; Q109-A112 PolarHBondContact O-N 2.93Å; Q109-L113 HydrophobicContact CG-CD1 4.44Å; Q109-L113 WeakPolarHBondContact O-CG 3.41Å; Q109-L113 PolarHBondContact O-N 3.11Å
110E86.5Confident74.4Confident88 Ų8871.6 Ų71.641%0.41138%0.382SS..Hα-helixtrans-53.7-49.8174.6178-167.8147.800111.1D106 K107 A112 L113 S114D106-E110 WeakPolarHBondContact O-CB 3.41Å; D106-E110 PolarHBondContact O-N 3.4Å; K107-E110 VanDerWaalsContact CE-OE2 3.23Å; K107-E110 WeakPolarHBondContact CE-OE2 3.39Å; K107-E110 IonicContact NZ-OE1 2.69Å; K107-E110 PolarHBondContact NZ-OE1 2.69Å; K107-E110 IonicContact NZ-OE2 2.66Å; K107-E110 PolarHBondContact NZ-OE2 3.25Å; K107-E110 PolarHBondContact O-N 2.88Å; E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 2.65Å; E110-L113 PolarHBondContact O-N 3.18Å; E110-S114 PolarHBondContact O-N 3.18Å
111L88.1Confident71.5Confident12 Ų1274.3 Ų74.36%0.06341%0.405CS..Hα-helixtrans-67.5-33.3-177.6-72.6-178.2000113.2I29 M59 F86 I93 K107 V108 Q109 L113 S114I29-L111 HydrophobicContact CD1-CB 3.73Å; I29-L111 HydrophobicContact CD1-CD2 4.32Å; I29-L111 HydrophobicContact CD1-CG 4.42Å; I29-L111 HydrophobicContact CG2-CD1 4.41Å; M59-L111 VanDerWaalsContact CE-C 3.49Å; M59-L111 HydrophobicContact CE-CB 3.78Å; F86-L111 HydrophobicContact CB-CD1 3.69Å; F86-L111 HydrophobicContact CD1-CD1 3.23Å; F86-L111 HydrophobicContact CE1-CD1 3.98Å; F86-L111 HydrophobicContact CG-CD1 3.61Å; I93-L111 HydrophobicContact CD1-CD1 3.95Å; I93-L111 HydrophobicContact CD1-CD2 3.48Å; I93-L111 VanDerWaalsContact CD1-CD2 3.48Å; I93-L111 HydrophobicContact CD1-CG 4.33Å; K107-L111 HydrophobicContact CD-CD1 4.2Å; K107-L111 HydrophobicContact CD-CG 4.18Å; K107-L111 HydrophobicContact CG-CD1 4.25Å; K107-L111 WeakPolarHBondContact O-CB 3.45Å; K107-L111 VanDerWaalsContact O-CG 3.31Å; K107-L111 WeakPolarHBondContact O-CG 3.23Å; K107-L111 PolarHBondContact O-N 3.01Å; V108-L111 PolarHBondContact O-N 2.86Å; Q109-L111 VanDerWaalsContact C-N 3.32Å; Q109-L111 PolarHBondContact O-N 2.97Å; L111-L113 VanDerWaalsContact C-N 3.25Å; L111-L113 PolarHBondContact O-N 3.09Å; L111-S114 PolarHBondContact O-N 2.86Å; L111-S114 PolarHBondContact O-OG 2.88Å
112A85Confident68.6Low17 Ų1775.5 Ų75.514%0.1443%0.426CS..Hα-helixtrans-67.6-27.2178.800000113Y56 M59 V108 Q109 E110Y56-A112 HydrophobicContact CD1-CB 3.39Å; Y56-A112 HydrophobicContact CE1-CB 3.44Å; Y56-A112 VanDerWaalsContact CE1-CB 3.44Å; Y56-A112 HydrophobicContact CG-CB 4.43Å; M59-A112 HydrophobicContact CE-CB 3.53Å; V108-A112 WeakPolarHBondContact O-CB 3.35Å; V108-A112 PolarHBondContact O-N 3.09Å; Q109-A112 PolarHBondContact O-N 2.93Å; E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 2.65Å
113L75.4Confident65.7Low39 Ų3975.9 Ų75.920%0.20444%0.44CS..Hα-helixtrans-84.1-21179-61.8168.1000112.6Q109 E110 L111 G115 R190 Y281Q109-L113 HydrophobicContact CG-CD1 4.44Å; Q109-L113 WeakPolarHBondContact O-CG 3.41Å; Q109-L113 PolarHBondContact O-N 3.11Å; E110-L113 PolarHBondContact O-N 3.18Å; L111-L113 VanDerWaalsContact C-N 3.25Å; L111-L113 PolarHBondContact O-N 3.09Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 2.86Å; L113-R190 VanDerWaalsContact CD1-NH1 3.3Å; L113-Y281 HydrophobicContact CB-CD1 4.28Å
114S68.8Low63.1Low45 Ų4579.3 Ų79.332%0.31546%0.457SS..SBendtrans-84.512.1-17470.20000115.9R88 E110 L111R88-S114 PolarHBondContact NH2-OG 3.48Å; E110-S114 PolarHBondContact O-N 3.18Å; L111-S114 PolarHBondContact O-N 2.86Å; L111-S114 PolarHBondContact O-OG 2.88Å
115G54.5Low59.9Low19 Ų1989.4 Ų89.420%0.19650%0.501CS..  trans-106.211-15900000119.3P27 L113P27-G115 VanDerWaalsContact CB-CA 3.49Å; L113-G115 VanDerWaalsContact C-N 3.31Å; L113-G115 PolarHBondContact O-N 2.86Å
116S45.8Very low56.7Low100 Ų10090.8 Ų90.870%0.69952%0.523SS*.SBendtrans-106.1-9-165.5-39.60000116.2
117D38Very low53.8Low117 Ų11792.9 Ų92.963%0.62654%0.541SS*.  trans-135.587.6-169.7-68.1-44.5000114.5K131D117-K131 PolarHBondContact O-NZ 3.47Å
118S35Very low50.7Low116 Ų116100.8 Ų100.881%0.81158%0.578SS**  trans-147.495.3161.357.30000112.1
119H32.8Very low47.9Very low189 Ų189106 Ų10688%0.87562%0.615SS**  trans-131.2137.4145.6-121.1-87.1000108.4
120E33.1Very low45.6Very low185 Ų185107.2 Ų107.286%0.86463%0.629SS**  trans93.7104.3170.2-55.8-150.9143.200119.8
121S30.4Very low44.1Very low134 Ų134110.4 Ų110.494%0.93764%0.641SS**  trans-57.6134.5163.9-54.60000113.2
122G31.1Very low43Very low75 Ų75111.6 Ų111.677%0.77365%0.646SS**  trans-172.3101.1168.600000111.3H124G122-H124 PolarHBondContact O-N 3.38Å
123S27.3Very low42.6Very low109 Ų109116 Ų11676%0.76266%0.66SS**  trans-42.6120.7176.1160.90000114.3
124H36.2Very low43.2Very low181 Ų181116.3 Ų116.384%0.83866%0.662SS**  -168130129.6-98-69.2000110.4G122 S126G122-H124 PolarHBondContact O-N 3.38Å; H124-S126 PolarHBondContact O-N 2.71Å
125K28.6Very low44.2Very low213 Ų213114.2 Ų114.293%0.92665%0.647SS**  trans-74.2119.4-177.1-68.9177.2175.8178.90111.1
126S28.8Very low45.9Very low106 Ų106115.8 Ų115.874%0.74165%0.651SS**  trans-143.7149.5154.6-4.70000108.8H124 Q128H124-S126 PolarHBondContact O-N 2.71Å; S126-Q128 PolarHBondContact O-N 3.04Å
127P29.5Very low47.9Very low122 Ų122115.8 Ų115.879%0.79265%0.647SS**  trans-73.8122.4-165.3-7.124000112.1S129P127-S129 PolarHBondContact O-N 3.41Å
128Q27.5Very low50.4Low199 Ų199111.2 Ų111.293%0.9362%0.622SS**  trans30.684.6151.5-76.6160.8-40.400117.5S126S126-Q128 PolarHBondContact O-N 3.04Å
129S34.7Very low53.3Low109 Ų109106.4 Ų106.476%0.76259%0.587SS**  trans-102.9122.8152.759.80000109.2P127 K131P127-S129 PolarHBondContact O-N 3.41Å; S129-K131 PolarHBondContact O-N 2.87Å
130S41.5Very low56.2Low76 Ų7698.7 Ų98.753%0.53156%0.555SS.*  trans-54.9119.5164.343.30000108.1Q132S130-Q132 PolarHBondContact O-N 2.75Å
131K53.3Low59Low155 Ų15592.1 Ų92.167%0.67452%0.523SS*.  trans-54.9106.2175.7-86.3-174177.4-175.60108.4D117 S129 Y281D117-K131 PolarHBondContact O-NZ 3.47Å; S129-K131 PolarHBondContact O-N 2.87Å; K131-Y281 PolarHBondContact O-OH 3.06Å
132Q64.9Low62Low38 Ų3893.1 Ų93.118%0.17852%0.518CS..PPolyproline II helixtrans-89.1124.5178.7-94.5178.24.200107.5S130 Q192 S193 Y279S130-Q132 PolarHBondContact O-N 2.75Å; Q132-Q192 HydrophobicContact CG-CB 4.41Å; Q132-S193 PolarHBondContact NE2-OG 2.59Å; Q132-S193 PolarHBondContact OE1-OG 3.31Å; Q132-Y279 HydrophobicContact CB-CD1 4.19Å; Q132-Y279 HydrophobicContact CB-CG 4.05Å
133Y78.3Confident65.1Low110 Ų11094.8 Ų94.843%0.43151%0.506SS..EExtended strand (participates in β ladder)trans-85.2126.8-179.9178.9-91.8000109.9M135 V137 Y279 G280Y133-M135 HydrophobicContact CD1-CG 4.42Å; Y133-M135 PolarHBondContact O-N 2.68Å; Y133-V137 HydrophobicContact CE1-CG2 4.1Å; Y133-V137 WeakPolarHBondContact OH-CG2 3.32Å; Y133-Y279 CarbonylContact O-C 3.53Å; Y133-Y279 VanDerWaalsContact O-CA 3.22Å; Y133-Y279 WeakPolarHBondContact O-CA 3.39Å; Y133-G280 WeakPolarHBondContact CB-O 3.47Å; Y133-G280 PolarHBondContact O-N 3.13Å
134D87.5Confident68.4Low45 Ų4590.4 Ų90.424%0.24148%0.475CS..EExtended strand (participates in β ladder)trans-66.6118.7176.3-169.7-28.8000109.9D136 K277 Y279D134-D136 WeakPolarHBondContact OD1-CB 3.36Å; D134-D136 PolarHBondContact OD1-N 3.48Å; D134-K277 WeakPolarHBondContact OD2-CD 3.3Å; D134-K277 WeakPolarHBondContact OD2-CE 3.47Å; D134-K277 IonicContact OD2-NZ 3.92Å; D134-K277 PolarHBondContact OD2-NZ 3.22Å; D134-Y279 HydrophobicContact CB-CD1 4.12Å; D134-Y279 HydrophobicContact CB-CE1 3.98Å
135M89.7Confident71.3Confident0 Ų086.9 Ų86.90%046%0.459CS..  trans-91.811.1-175.2-61.2-172.7-62.700113.5Y133 V137 L138 L139 F185 V189 I191 F278 G280Y133-M135 HydrophobicContact CD1-CG 4.42Å; Y133-M135 PolarHBondContact O-N 2.68Å; M135-V137 PolarHBondContact O-N 2.72Å; M135-L138 HydrophobicContact CB-CD1 4.39Å; M135-L138 HydrophobicContact CG-CD1 4.33Å; M135-L138 WeakPolarHBondContact O-CA 3.46Å; M135-L138 WeakPolarHBondContact O-CB 3.37Å; M135-L138 PolarHBondContact O-N 3.42Å; M135-L139 PolarHBondContact O-N 2.83Å; M135-F185 HydrophobicContact CB-CE1 4.31Å; M135-F185 HydrophobicContact CE-CE1 4.21Å; M135-F185 HydrophobicContact CE-CZ 4.48Å; M135-V189 HydrophobicContact CE-CG2 4.41Å; M135-V189 HydrophobicContact SD-CB 3.82Å; M135-V189 HydrophobicContact SD-CG1 4.1Å; M135-V189 HydrophobicContact SD-CG2 4.11Å; M135-I191 HydrophobicContact CE-CB 4.17Å; M135-I191 HydrophobicContact CE-CG1 3.86Å; M135-I191 HydrophobicContact CE-CG2 3.91Å; M135-F278 HydrophobicContact CB-CB 4.39Å; M135-F278 WeakPolarHBondContact CB-O 3.46Å; M135-F278 HydrophobicContact CE-CB 3.53Å; M135-F278 PolarHBondContact N-O 2.96Å; M135-G280 VanDerWaalsContact SD-CA 3.54Å
136D89.8Confident74.6Confident53 Ų5377.3 Ų77.328%0.28342%0.419SS..G310 helixtrans-53.5-37.9178.1-17649.6000112.6D134 L138 L139 K141D134-D136 WeakPolarHBondContact OD1-CB 3.36Å; D134-D136 PolarHBondContact OD1-N 3.48Å; D136-L138 PolarHBondContact O-N 2.99Å; D136-L139 WeakPolarHBondContact O-CB 3.23Å; D136-L139 PolarHBondContact O-N 2.79Å; D136-L139 VanDerWaalsContact O-N 3.09Å; D136-K141 WeakPolarHBondContact OD1-CE 3.32Å; D136-K141 IonicContact OD1-NZ 3.66Å; D136-K141 PolarHBondContact OD1-NZ 3.24Å; D136-K141 IonicContact OD2-NZ 3.91Å; D136-K141 PolarHBondContact OD2-NZ 2.78Å
137V87.7Confident77.9Confident100 Ų10075.2 Ų75.261%0.60640%0.399SS*.G310 helixtrans-66.1-16.8176.7-60.50000114Y133 M135Y133-V137 HydrophobicContact CE1-CG2 4.1Å; Y133-V137 WeakPolarHBondContact OH-CG2 3.32Å; M135-V137 PolarHBondContact O-N 2.72Å
138L91.7Very high81.2Confident20 Ų2070.9 Ų70.911%0.10537%0.369CS..G310 helixtrans-96.1-3.5177.8-57.2-177.8000112.2M135 D136 S140 F185 S186 Q187 V189 P282M135-L138 HydrophobicContact CB-CD1 4.39Å; M135-L138 HydrophobicContact CG-CD1 4.33Å; M135-L138 WeakPolarHBondContact O-CA 3.46Å; M135-L138 WeakPolarHBondContact O-CB 3.37Å; M135-L138 PolarHBondContact O-N 3.42Å; D136-L138 PolarHBondContact O-N 2.99Å; L138-S140 PolarHBondContact O-N 2.86Å; L138-F185 HydrophobicContact CB-CD1 4.35Å; L138-F185 CarbonylContact O-C 3.49Å; L138-F185 WeakPolarHBondContact O-CA 3.26Å; L138-S186 PolarHBondContact O-N 3.4Å; L138-S186 PolarHBondContact O-OG 2.72Å; L138-S186 VanDerWaalsContact O-OG 3.13Å; L138-Q187 HydrophobicContact CD2-CG 4.4Å; L138-Q187 VanDerWaalsContact CD2-NE2 3.31Å; L138-V189 HydrophobicContact CB-CG1 4.46Å; L138-V189 HydrophobicContact CD1-CG1 3.66Å; L138-P282 HydrophobicContact CD1-CB 4.1Å
139L94.2Very high84.5Confident16 Ų1664.1 Ų64.18%0.08434%0.337CS..BIsolated β-bridgetrans-75125.8177.2-60.4-173.9000110.7M135 D136 K141 L159 I183 F185 F278M135-L139 PolarHBondContact O-N 2.83Å; D136-L139 WeakPolarHBondContact O-CB 3.23Å; D136-L139 PolarHBondContact O-N 2.79Å; D136-L139 VanDerWaalsContact O-N 3.09Å; L139-K141 HydrophobicContact CB-CG 3.95Å; L139-K141 PolarHBondContact O-N 3.17Å; L139-L159 HydrophobicContact CD1-CD2 4.02Å; L139-I183 HydrophobicContact CD2-CG2 3.46Å; L139-I183 VanDerWaalsContact CD2-CG2 3.46Å; L139-F185 HydrophobicContact CD2-CD1 3.64Å; L139-F185 HydrophobicContact CD2-CE1 3.39Å; L139-F185 HydrophobicContact CD2-CG 4.44Å; L139-F185 HydrophobicContact CD2-CZ 4.02Å; L139-F278 HydrophobicContact CD1-CD2 4.33Å; L139-F278 HydrophobicContact CD1-CE2 4.45Å; L139-F278 HydrophobicContact CD2-CD2 4.21Å
140S93.5Very high87.5Confident27 Ų2760.2 Ų60.219%0.18931%0.308CS..  trans-77.273.3162.7-67.70000108.3L138 N142 Q143 C144 T184 S186L138-S140 PolarHBondContact O-N 2.86Å; S140-N142 PolarHBondContact O-N 3.13Å; S140-N142 VanDerWaalsContact O-N 3.09Å; S140-Q143 VanDerWaalsContact CB-OE1 3.26Å; S140-Q143 CarbonylContact O-C 3.52Å; S140-Q143 WeakPolarHBondContact O-CA 3.41Å; S140-Q143 WeakPolarHBondContact O-CB 3.31Å; S140-Q143 PolarHBondContact O-N 2.86Å; S140-Q143 PolarHBondContact OG-OE1 3.42Å; S140-C144 PolarHBondContact O-N 3.44Å; S140-C144 PolarHBondContact O-SG 3.26Å; S140-C144 VanDerWaalsContact O-SG 3.39Å; S140-T184 PolarHBondContact N-O 3.13Å; S140-S186 WeakPolarHBondContact OG-CA 3.28Å; S140-S186 PolarHBondContact OG-N 2.98Å
141K93.4Very high90Very high47 Ų4764 Ų6420%0.20432%0.322CS..G310 helixtrans-52.6-36.2-170.9-61.2-176.4-178.3-170.30113.6D136 L139 Q143 C144 L159D136-K141 WeakPolarHBondContact OD1-CE 3.32Å; D136-K141 IonicContact OD1-NZ 3.66Å; D136-K141 PolarHBondContact OD1-NZ 3.24Å; D136-K141 IonicContact OD2-NZ 3.91Å; D136-K141 PolarHBondContact OD2-NZ 2.78Å; L139-K141 HydrophobicContact CB-CG 3.95Å; L139-K141 PolarHBondContact O-N 3.17Å; K141-Q143 PolarHBondContact O-N 3.3Å; K141-C144 WeakPolarHBondContact O-CB 3.37Å; K141-C144 PolarHBondContact O-N 3.28Å; K141-C144 VanDerWaalsContact O-N 3.15Å; K141-L159 HydrophobicContact CD-CB 4.2Å; K141-L159 WeakPolarHBondContact CD-O 3.45Å; K141-L159 WeakPolarHBondContact CE-O 3.43Å; K141-L159 HydrophobicContact CG-CB 4.38Å; K141-L159 PolarHBondContact NZ-O 2.88Å
142N93.6Very high92Very high154 Ų15460.7 Ų60.782%0.82432%0.315SS*.G310 helixtrans-70.3-11.7176.8-60.9-18.5000114.6S140S140-N142 PolarHBondContact O-N 3.13Å; S140-N142 VanDerWaalsContact O-N 3.09Å
143Q94.5Very high93.5Very high110 Ų11060.6 Ų60.651%0.51432%0.315SS..G310 helixtrans-110.710.1176.2-60.3-178.2-44.200111.4S140 K141 T184S140-Q143 VanDerWaalsContact CB-OE1 3.26Å; S140-Q143 CarbonylContact O-C 3.52Å; S140-Q143 WeakPolarHBondContact O-CA 3.41Å; S140-Q143 WeakPolarHBondContact O-CB 3.31Å; S140-Q143 PolarHBondContact O-N 2.86Å; S140-Q143 PolarHBondContact OG-OE1 3.42Å; K141-Q143 PolarHBondContact O-N 3.3Å; Q143-T184 HydrophobicContact CB-CG2 4.02Å; Q143-T184 PolarHBondContact O-OG1 3.4Å
144C97Very high94.3Very high18 Ų1856.2 Ų56.212%0.12230%0.3CS..  trans-92.6139.9171.1-590000108.2S140 K141 L155 L159 Y182 I183 T184S140-C144 PolarHBondContact O-N 3.44Å; S140-C144 PolarHBondContact O-SG 3.26Å; S140-C144 VanDerWaalsContact O-SG 3.39Å; K141-C144 WeakPolarHBondContact O-CB 3.37Å; K141-C144 PolarHBondContact O-N 3.28Å; K141-C144 VanDerWaalsContact O-N 3.15Å; C144-L155 HydrophobicContact CB-CD2 4.05Å; C144-L159 HydrophobicContact CB-CD1 3.77Å; C144-Y182 CarbonylContact C-O 3.56Å; C144-Y182 WeakPolarHBondContact CA-O 3.17Å; C144-Y182 WeakPolarHBondContact CB-O 3.36Å; C144-I183 HydrophobicContact CB-CD1 4.38Å; C144-T184 PolarHBondContact SG-N 2.83Å
145E97.5Very high94.8Very high106 Ų10654.2 Ų54.250%0.49529%0.289SS..EExtended strand (participates in β ladder)trans-135.4149.6-175.4-63.3178.5171.300109.1L155 Y182 T216E145-L155 WeakPolarHBondContact O-CD2 3.05Å; E145-Y182 PolarHBondContact N-O 2.74Å; E145-Y182 PolarHBondContact O-N 3.29Å; E145-T216 PolarHBondContact OE2-OG1 2.85Å
146C98.3Very high95Very high13 Ų1356.8 Ų56.89%0.08831%0.31CS..EExtended strand (participates in β ladder)trans-128.9132.7171-164.50000110.1E149 L155 I180C146-E149 HydrophobicContact CB-CB 4.08Å; C146-E149 HydrophobicContact CB-CG 4.16Å; C146-E149 VanDerWaalsContact CB-OE2 3.29Å; C146-E149 WeakPolarHBondContact CB-OE2 3.46Å; C146-L155 HydrophobicContact CB-CB 3.69Å; C146-L155 HydrophobicContact CB-CD2 3.97Å; C146-L155 HydrophobicContact CB-CG 4.42Å; C146-I180 CarbonylContact C-O 3.51Å; C146-I180 VanDerWaalsContact CA-O 3.22Å; C146-I180 WeakPolarHBondContact CA-O 3.39Å
147L98.3Very high95.2Very high61 Ų6158.1 Ų58.132%0.31932%0.315SS..EExtended strand (participates in β ladder)trans-96.6144.7169.3-52.7-175.7000109.8E149 I180 T216 F219L147-E149 VanDerWaalsContact C-N 3.3Å; L147-I180 HydrophobicContact CB-CB 4.13Å; L147-I180 HydrophobicContact CD1-CB 4.36Å; L147-I180 HydrophobicContact CD1-CD1 4.2Å; L147-I180 HydrophobicContact CG-CB 4.3Å; L147-I180 PolarHBondContact N-O 3.04Å; L147-I180 PolarHBondContact O-N 3.47Å; L147-T216 HydrophobicContact CD1-CG2 3.79Å; L147-T216 HydrophobicContact CD2-CG2 4.27Å; L147-T216 HydrophobicContact CG-CG2 3.83Å; L147-F219 HydrophobicContact CB-CE2 3.9Å; L147-F219 HydrophobicContact CB-CZ 3.98Å; L147-F219 HydrophobicContact CD1-CE2 4.41Å
148N98.2Very high95.5Very high31 Ų3154 Ų5417%0.16629%0.289CS..SBendtrans6230.1-175.5-164.638.8000114S173 D174 T175 D176 Q178 L179 F219N148-S173 CarbonylContact O-C 3.57Å; N148-S173 WeakPolarHBondContact O-CA 3.48Å; N148-D174 PolarHBondContact O-N 3.28Å; N148-T175 WeakPolarHBondContact OD1-CB 3.32Å; N148-T175 PolarHBondContact OD1-N 2.82Å; N148-D176 PolarHBondContact ND2-O 2.84Å; N148-D176 PolarHBondContact ND2-OD1 2.87Å; N148-Q178 PolarHBondContact ND2-O 3.15Å; N148-L179 HydrophobicContact CB-CD2 4.44Å; N148-L179 VanDerWaalsContact O-CD2 3.24Å; N148-L179 WeakPolarHBondContact O-CD2 3.48Å; N148-F219 HydrophobicContact CB-CE2 4.42Å; N148-F219 HydrophobicContact CB-CZ 3.73Å
149E97.8Very high95.6Very high57 Ų5753.3 Ų53.327%0.26629%0.286SS..BIsolated β-bridgetrans-82146.8171.865.4178.7-17800112.1C146 L147 S154 L155 L171 L172C146-E149 HydrophobicContact CB-CB 4.08Å; C146-E149 HydrophobicContact CB-CG 4.16Å; C146-E149 VanDerWaalsContact CB-OE2 3.29Å; C146-E149 WeakPolarHBondContact CB-OE2 3.46Å; L147-E149 VanDerWaalsContact C-N 3.3Å; E149-S154 VanDerWaalsContact CD-CB 3.5Å; E149-S154 VanDerWaalsContact OE2-CA 3.29Å; E149-S154 WeakPolarHBondContact OE2-CA 3.5Å; E149-S154 VanDerWaalsContact OE2-CB 3.25Å; E149-S154 WeakPolarHBondContact OE2-CB 3.06Å; E149-L155 WeakPolarHBondContact OE2-CB 3.48Å; E149-L155 PolarHBondContact OE2-N 2.81Å; E149-L171 HydrophobicContact CB-CD1 3.69Å; E149-L172 WeakPolarHBondContact CA-O 3.46Å
150D97.5Very high95.3Very high28 Ų2857.7 Ų57.715%0.1531%0.306CS..BIsolated β-bridgetrans-68.7136.9171.2176.3-85.2000111T152 H153 L172D150-T152 PolarHBondContact O-N 3.5Å; D150-T152 VanDerWaalsContact O-N 3.08Å; D150-T152 VanDerWaalsContact OD1-CA 3.29Å; D150-T152 WeakPolarHBondContact OD1-CA 3.33Å; D150-T152 WeakPolarHBondContact OD1-CB 3.41Å; D150-T152 PolarHBondContact OD1-N 3.37Å; D150-T152 PolarHBondContact OD1-OG1 2.61Å; D150-H153 HydrophobicContact CB-CB 4.26Å; D150-H153 CarbonylContact O-C 3.53Å; D150-H153 PolarHBondContact O-N 3.18Å; D150-H153 VanDerWaalsContact O-N 3.13Å; D150-H153 IonicContact OD1-CD2 2.97Å; D150-H153 PolarHBondContact OD1-N 2.87Å; D150-L172 HydrophobicContact CB-CB 3.99Å; D150-L172 HydrophobicContact CB-CD2 4.33Å; D150-L172 HydrophobicContact CB-CG 4.44Å; D150-L172 PolarHBondContact N-O 2.8Å
151D93.9Very high94.7Very high156 Ų15658.8 Ų58.883%0.83431%0.313SS*.THydrogen-bonded Turntrans-56.9-27.9-177.7-78.6-22.4000113.6
152T94.4Very high93.1Very high85 Ų8561 Ų6152%0.52134%0.335SS..THydrogen-bonded Turntrans-98.2-17.4-177.4700000113.7D150 Q157D150-T152 PolarHBondContact O-N 3.5Å; D150-T152 VanDerWaalsContact O-N 3.08Å; D150-T152 VanDerWaalsContact OD1-CA 3.29Å; D150-T152 WeakPolarHBondContact OD1-CA 3.33Å; D150-T152 WeakPolarHBondContact OD1-CB 3.41Å; D150-T152 PolarHBondContact OD1-N 3.37Å; D150-T152 PolarHBondContact OD1-OG1 2.61Å; T152-Q157 PolarHBondContact O-NE2 3.34Å; T152-Q157 PolarHBondContact O-OE1 2.63Å
153H95.7Very high91.4Very high36 Ų3660.8 Ų60.817%0.16733%0.329CS..BIsolated β-bridgetrans-13371.8-174.3-70.9-63.8000111.1D150 Y170 L171 L172D150-H153 HydrophobicContact CB-CB 4.26Å; D150-H153 CarbonylContact O-C 3.53Å; D150-H153 PolarHBondContact O-N 3.18Å; D150-H153 VanDerWaalsContact O-N 3.13Å; D150-H153 IonicContact OD1-CD2 2.97Å; D150-H153 PolarHBondContact OD1-N 2.87Å; H153-Y170 CarbonylContact C-O 3.56Å; H153-Y170 WeakPolarHBondContact CA-O 3.21Å; H153-Y170 HydrophobicContact CB-CD2 3.96Å; H153-Y170 HydrophobicContact CB-CE2 3.86Å; H153-Y170 WeakPolarHBondContact CB-O 3.21Å; H153-Y170 AromaticContact CD2-CE2 3.49Å; H153-Y170 VanDerWaalsContact CD2-CE2 3.49Å; H153-Y170 WeakPolarHBondContact CD2-CE2 3.3Å; H153-Y170 AromaticContact CD2-CZ 3.7Å; H153-Y170 AromaticContact CE1-CE1 3.53Å; H153-Y170 AromaticContact CE1-CE2 3.56Å; H153-Y170 AromaticContact CE1-CZ 3.14Å; H153-Y170 PolarHBondContact CE1-OH 3.46Å; H153-Y170 AromaticContact CG-CD2 3.74Å; H153-Y170 AromaticContact CG-CE2 3.26Å; H153-Y170 AromaticContact CG-CZ 3.72Å; H153-Y170 AromaticContact ND1-CD2 3.66Å; H153-Y170 AromaticContact ND1-CE1 3.78Å; H153-Y170 AromaticContact ND1-CE2 3.31Å; H153-Y170 VanDerWaalsContact ND1-CE2 3.31Å; H153-Y170 WeakPolarHBondContact ND1-CE2 3.39Å; H153-Y170 AromaticContact ND1-CZ 3.38Å; H153-Y170 AromaticContact NE2-CE2 3.66Å; H153-Y170 AromaticContact NE2-CZ 3.31Å; H153-Y170 VanDerWaalsContact NE2-CZ 3.31Å; H153-Y170 PolarHBondContact NE2-OH 3.09Å; H153-L171 WeakPolarHBondContact O-CA 3.22Å; H153-L172 HydrophobicContact CB-CB 3.77Å; H153-L172 PolarHBondContact O-N 3.22Å
154S96.7Very high89Confident17 Ų1762 Ų6212%0.11934%0.339CS..  trans-99.6162.5-17166.50000114.5E149 A156 Q157 L158E149-S154 VanDerWaalsContact CD-CB 3.5Å; E149-S154 VanDerWaalsContact OE2-CA 3.29Å; E149-S154 WeakPolarHBondContact OE2-CA 3.5Å; E149-S154 VanDerWaalsContact OE2-CB 3.25Å; E149-S154 WeakPolarHBondContact OE2-CB 3.06Å; S154-A156 PolarHBondContact O-N 2.76Å; S154-Q157 PolarHBondContact O-N 2.95Å; S154-L158 PolarHBondContact O-N 3.12Å; S154-L158 VanDerWaalsContact O-N 3.12Å
155L97Very high86.9Confident4 Ų468.2 Ų68.22%0.02137%0.371CS..Hα-helixtrans-58.5-38.9174.4177.169000111C144 E145 C146 E149 Q157 L158 L159 L171 I181 I183 L276C144-L155 HydrophobicContact CB-CD2 4.05Å; E145-L155 WeakPolarHBondContact O-CD2 3.05Å; C146-L155 HydrophobicContact CB-CB 3.69Å; C146-L155 HydrophobicContact CB-CD2 3.97Å; C146-L155 HydrophobicContact CB-CG 4.42Å; E149-L155 WeakPolarHBondContact OE2-CB 3.48Å; E149-L155 PolarHBondContact OE2-N 2.81Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 2.97Å; L155-L158 PolarHBondContact O-N 2.97Å; L155-L159 HydrophobicContact CD1-CD1 3.92Å; L155-L159 HydrophobicContact CD1-CD2 4.29Å; L155-L159 HydrophobicContact CD1-CG 3.84Å; L155-L159 HydrophobicContact CD2-CD1 4.2Å; L155-L159 HydrophobicContact CG-CD1 3.81Å; L155-L159 HydrophobicContact CG-CG 4.07Å; L155-L159 WeakPolarHBondContact O-CG 3.15Å; L155-L159 PolarHBondContact O-N 2.74Å; L155-L171 HydrophobicContact CB-CD1 4.47Å; L155-L171 HydrophobicContact CB-CD2 4.49Å; L155-L171 HydrophobicContact CD1-CD2 4.32Å; L155-I181 HydrophobicContact CD1-CG2 3.75Å; L155-I181 HydrophobicContact CD2-CG2 3.84Å; L155-I181 HydrophobicContact CG-CG2 4.44Å; L155-I183 HydrophobicContact CD2-CD1 4.48Å; L155-L276 HydrophobicContact CD1-CD2 4.11Å
156A94.4Very high85.1Confident53 Ų5367.5 Ų67.544%0.43837%0.37SS..Hα-helixtrans-59-45.2178.300000111.1S154 H160S154-A156 PolarHBondContact O-N 2.76Å; A156-H160 VanDerWaalsContact O-CB 3.3Å; A156-H160 WeakPolarHBondContact O-CB 3.47Å; A156-H160 PolarHBondContact O-CD2 2.8Å; A156-H160 PolarHBondContact O-N 2.86Å
157Q93.1Very high83.6Confident81 Ų8171.8 Ų71.838%0.37940%0.401SS..Hα-helixtrans-63.7-43.4176.6-64.4173.9-2.800111.5T152 S154 L155 S161 V169T152-Q157 PolarHBondContact O-NE2 3.34Å; T152-Q157 PolarHBondContact O-OE1 2.63Å; S154-Q157 PolarHBondContact O-N 2.95Å; L155-Q157 VanDerWaalsContact C-N 3.32Å; L155-Q157 PolarHBondContact O-N 2.97Å; Q157-S161 WeakPolarHBondContact O-CB 3.41Å; Q157-S161 PolarHBondContact O-N 2.95Å; Q157-S161 VanDerWaalsContact O-N 3.09Å; Q157-V169 HydrophobicContact CB-CG1 4.15Å; Q157-V169 WeakPolarHBondContact O-CG1 3.34Å
158L94.9Very high82.8Confident13 Ų1376.4 Ų76.47%0.06842%0.418CS..Hα-helixtrans-59-51.3178.1-175.866.4000111.4S154 L155 S161 L171 I273 D274 L276S154-L158 PolarHBondContact O-N 3.12Å; S154-L158 VanDerWaalsContact O-N 3.12Å; L155-L158 PolarHBondContact O-N 2.97Å; L158-S161 PolarHBondContact O-N 3.09Å; L158-S161 PolarHBondContact O-OG 3.15Å; L158-L171 HydrophobicContact CD2-CB 3.88Å; L158-I273 HydrophobicContact CD2-CG2 4.11Å; L158-D274 WeakPolarHBondContact CD1-O 3.04Å; L158-L276 HydrophobicContact CD2-CB 3.89Å
159L93.2Very high82.5Confident7 Ų776.7 Ų76.74%0.03742%0.421CS..Hα-helixtrans-71.2-31.6-177.8-64.6-178.5000113.3L139 K141 C144 L155 I183L139-L159 HydrophobicContact CD1-CD2 4.02Å; K141-L159 HydrophobicContact CD-CB 4.2Å; K141-L159 WeakPolarHBondContact CD-O 3.45Å; K141-L159 WeakPolarHBondContact CE-O 3.43Å; K141-L159 HydrophobicContact CG-CB 4.38Å; K141-L159 PolarHBondContact NZ-O 2.88Å; C144-L159 HydrophobicContact CB-CD1 3.77Å; L155-L159 HydrophobicContact CD1-CD1 3.92Å; L155-L159 HydrophobicContact CD1-CD2 4.29Å; L155-L159 HydrophobicContact CD1-CG 3.84Å; L155-L159 HydrophobicContact CD2-CD1 4.2Å; L155-L159 HydrophobicContact CG-CD1 3.81Å; L155-L159 HydrophobicContact CG-CG 4.07Å; L155-L159 WeakPolarHBondContact O-CG 3.15Å; L155-L159 PolarHBondContact O-N 2.74Å; L159-I183 HydrophobicContact CD1-CD1 4.28Å
160H87.5Confident82.4Confident107 Ų10776 Ų7650%0.49542%0.417SS..Hα-helixtrans-85.9-7.6179.1-75.3-72.4000114A156 S162A156-H160 VanDerWaalsContact O-CB 3.3Å; A156-H160 WeakPolarHBondContact O-CB 3.47Å; A156-H160 PolarHBondContact O-CD2 2.8Å; A156-H160 PolarHBondContact O-N 2.86Å; H160-S162 PolarHBondContact O-N 3.19Å
161S81.6Confident82.5Confident51 Ų5174.7 Ų74.736%0.35741%0.409SS..  trans-67117.8174.669.90000110.7Q157 L158Q157-S161 WeakPolarHBondContact O-CB 3.41Å; Q157-S161 PolarHBondContact O-N 2.95Å; Q157-S161 VanDerWaalsContact O-N 3.09Å; L158-S161 PolarHBondContact O-N 3.09Å; L158-S161 PolarHBondContact O-OG 3.15Å
162S60.5Low82.7Confident94 Ų9468.2 Ų68.266%0.65737%0.374SS*.  trans-69.1141.1164.9-177.40000107.8H160 N164H160-S162 PolarHBondContact O-N 3.19Å; S162-N164 PolarHBondContact O-N 3.46Å
163E56.6Low82.9Confident149 Ų14964.1 Ų64.170%0.69635%0.35SS*.SBendtrans-50.217.1-169.8-63.7-169136.500118.8N165 K277E163-N165 PolarHBondContact O-N 3.39Å; E163-N165 VanDerWaalsContact O-N 3.15Å; E163-K277 IonicContact OE1-NZ 3.69Å; E163-K277 PolarHBondContact OE1-NZ 3.25Å
164N45.9Very low82.9Confident135 Ų13566.3 Ų66.372%0.72236%0.362SS*.  trans-64.9115.3164.7-68.1-35.4000108.7S162 N166S162-N164 PolarHBondContact O-N 3.46Å; N164-N166 PolarHBondContact O-N 2.76Å
165N51.8Low82.9Confident148 Ų14870.7 Ų70.779%0.79139%0.389SS*.  trans-50.458.2172-82.8-32.6000113.7E163 S167E163-N165 PolarHBondContact O-N 3.39Å; E163-N165 VanDerWaalsContact O-N 3.15Å; N165-S167 PolarHBondContact O-N 2.94Å
166N59.1Low82.9Confident91 Ų9173.3 Ų73.349%0.48740%0.403SS..  trans-92.494.6175.1-166.98.2000106.3N164 K168 V169N164-N166 PolarHBondContact O-N 2.76Å; N166-K168 PolarHBondContact O-N 3.38Å; N166-V169 PolarHBondContact O-N 2.85Å
167S66.9Low83.1Confident104 Ų10473.5 Ų73.573%0.72740%0.395SS*.THydrogen-bonded Turntrans-54.60.1177-49.60000114.9N165N165-S167 PolarHBondContact O-N 2.94Å
168K83.2Confident83.3Confident157 Ų15771.7 Ų71.768%0.68339%0.386SS*.THydrogen-bonded Turntrans-87.7-19176.2-64.2-172175.4-172.70114.3N166N166-K168 PolarHBondContact O-N 3.38Å
169V91.9Very high83.5Confident38 Ų3871.1 Ų71.123%0.2338%0.383CS..  trans-97118.7178.5-174.40000109Q157 N166Q157-V169 HydrophobicContact CB-CG1 4.15Å; Q157-V169 WeakPolarHBondContact O-CG1 3.34Å; N166-V169 PolarHBondContact O-N 2.85Å
170Y95.8Very high83.7Confident43 Ų4370.8 Ų70.817%0.16938%0.381CS..  trans-155.5160.5176.452.7-95.4000108.8H153 L172 R272 I273 D274H153-Y170 CarbonylContact C-O 3.56Å; H153-Y170 WeakPolarHBondContact CA-O 3.21Å; H153-Y170 HydrophobicContact CB-CD2 3.96Å; H153-Y170 HydrophobicContact CB-CE2 3.86Å; H153-Y170 WeakPolarHBondContact CB-O 3.21Å; H153-Y170 AromaticContact CD2-CE2 3.49Å; H153-Y170 VanDerWaalsContact CD2-CE2 3.49Å; H153-Y170 WeakPolarHBondContact CD2-CE2 3.3Å; H153-Y170 AromaticContact CD2-CZ 3.7Å; H153-Y170 AromaticContact CE1-CE1 3.53Å; H153-Y170 AromaticContact CE1-CE2 3.56Å; H153-Y170 AromaticContact CE1-CZ 3.14Å; H153-Y170 PolarHBondContact CE1-OH 3.46Å; H153-Y170 AromaticContact CG-CD2 3.74Å; H153-Y170 AromaticContact CG-CE2 3.26Å; H153-Y170 AromaticContact CG-CZ 3.72Å; H153-Y170 AromaticContact ND1-CD2 3.66Å; H153-Y170 AromaticContact ND1-CE1 3.78Å; H153-Y170 AromaticContact ND1-CE2 3.31Å; H153-Y170 VanDerWaalsContact ND1-CE2 3.31Å; H153-Y170 WeakPolarHBondContact ND1-CE2 3.39Å; H153-Y170 AromaticContact ND1-CZ 3.38Å; H153-Y170 AromaticContact NE2-CE2 3.66Å; H153-Y170 AromaticContact NE2-CZ 3.31Å; H153-Y170 VanDerWaalsContact NE2-CZ 3.31Å; H153-Y170 PolarHBondContact NE2-OH 3.09Å; Y170-L172 HydrophobicContact CD2-CB 4.15Å; Y170-L172 HydrophobicContact CE2-CB 4.07Å; Y170-L172 HydrophobicContact CE2-CD2 4.44Å; Y170-R272 VanDerWaalsContact CD1-CZ 3.42Å; Y170-R272 VanDerWaalsContact CD1-NH2 3.32Å; Y170-R272 HydrophobicContact CD2-CG 3.88Å; Y170-R272 HydrophobicContact CG-CG 4.18Å; Y170-I273 WeakPolarHBondContact CA-O 3.39Å; Y170-I273 WeakPolarHBondContact CB-O 3.46Å; Y170-D274 WeakPolarHBondContact CB-OD1 3.28Å
171L97.8Very high84.3Confident0 Ų065.7 Ų65.70%036%0.358CS..EExtended strand (participates in β ladder)trans-92.4133.8167.1168.362.5000108.7E149 H153 L155 L158 L179 I181 R272 I273E149-L171 HydrophobicContact CB-CD1 3.69Å; H153-L171 WeakPolarHBondContact O-CA 3.22Å; L155-L171 HydrophobicContact CB-CD1 4.47Å; L155-L171 HydrophobicContact CB-CD2 4.49Å; L155-L171 HydrophobicContact CD1-CD2 4.32Å; L158-L171 HydrophobicContact CD2-CB 3.88Å; L171-L179 HydrophobicContact CD2-CD1 4.19Å; L171-L179 HydrophobicContact CG-CD1 4.21Å; L171-I181 HydrophobicContact CD2-CD1 3.7Å; L171-I181 HydrophobicContact CD2-CG1 3.99Å; L171-R272 CarbonylContact O-C 3.51Å; L171-R272 WeakPolarHBondContact O-CA 3.27Å; L171-I273 HydrophobicContact CB-CB 4.32Å; L171-I273 HydrophobicContact CD2-CD1 4.33Å; L171-I273 PolarHBondContact N-O 2.81Å; L171-I273 PolarHBondContact O-N 2.92Å
172L98.2Very high85.1Confident19 Ų1964.1 Ų64.110%0.09934%0.344CS..EExtended strand (participates in β ladder)trans-127144.3176.1-170.770.9000109.4E149 D150 H153 Y170 Q270 T271 R272E149-L172 WeakPolarHBondContact CA-O 3.46Å; D150-L172 HydrophobicContact CB-CB 3.99Å; D150-L172 HydrophobicContact CB-CD2 4.33Å; D150-L172 HydrophobicContact CB-CG 4.44Å; D150-L172 PolarHBondContact N-O 2.8Å; H153-L172 HydrophobicContact CB-CB 3.77Å; H153-L172 PolarHBondContact O-N 3.22Å; Y170-L172 HydrophobicContact CD2-CB 4.15Å; Y170-L172 HydrophobicContact CE2-CB 4.07Å; Y170-L172 HydrophobicContact CE2-CD2 4.44Å; L172-Q270 HydrophobicContact CD1-CB 4.27Å; L172-T271 CarbonylContact C-O 3.53Å; L172-T271 WeakPolarHBondContact CA-O 3.42Å; L172-R272 HydrophobicContact CD1-CB 3.89Å; L172-R272 HydrophobicContact CD1-CG 4.42Å
173S98.4Very high86.9Confident0 Ų059.7 Ų59.70%031%0.313CS..BIsolated β-bridgetrans-81.7146.1169.770.30000112.3N148 D176 Q270 T271N148-S173 CarbonylContact O-C 3.57Å; N148-S173 WeakPolarHBondContact O-CA 3.48Å; S173-D176 WeakPolarHBondContact CB-O 3.46Å; S173-D176 PolarHBondContact OG-O 2.89Å; S173-Q270 PolarHBondContact O-NE2 2.83Å; S173-Q270 WeakPolarHBondContact OG-CA 3.34Å; S173-T271 PolarHBondContact N-O 3.43Å; S173-T271 PolarHBondContact OG-N 2.58Å
174D97.3Very high88.8Confident81 Ų8153.4 Ų53.443%0.43329%0.285SS..SBendtrans-88.9-69.6-172.8-17836000112.4N148 Q270N148-D174 PolarHBondContact O-N 3.28Å; D174-Q270 PolarHBondContact O-NE2 3.03Å
175T95.8Very high91.2Very high110 Ų11047.4 Ų47.468%0.67525%0.252SS*.SBendtrans-85-37-168.2-61.80000113.7N148N148-T175 WeakPolarHBondContact OD1-CB 3.32Å; N148-T175 PolarHBondContact OD1-N 2.82Å
176D96.9Very high93.1Very high58 Ų5843.9 Ų43.931%0.3124%0.239SC..SBendtrans-150.4-176.2-178.164.336000110N148 S173 Q178 D269N148-D176 PolarHBondContact ND2-O 2.84Å; N148-D176 PolarHBondContact ND2-OD1 2.87Å; S173-D176 WeakPolarHBondContact CB-O 3.46Å; S173-D176 PolarHBondContact OG-O 2.89Å; D176-Q178 PolarHBondContact O-N 3.18Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.44Å; D176-Q178 PolarHBondContact OD1-N 3.37Å; D176-D269 CarbonylContact C-O 3.5Å; D176-D269 VanDerWaalsContact CA-O 3.24Å; D176-D269 WeakPolarHBondContact CA-O 3.48Å
177E98Very high94.5Very high58 Ų5843.4 Ų43.427%0.27123%0.234SC..SBendtrans-76.3-7.7-175.673.2-86.3-157.400114.7N263 N264 D269 T271E177-N263 HydrophobicContact CG-CB 4.48Å; E177-N264 VanDerWaalsContact CB-ND2 3.31Å; E177-N264 WeakPolarHBondContact CB-ND2 3.28Å; E177-D269 PolarHBondContact N-O 2.84Å; E177-T271 VanDerWaalsContact O-CB 3.28Å; E177-T271 WeakPolarHBondContact O-CB 3.09Å; E177-T271 PolarHBondContact O-OG1 2.61Å
178Q98.4Very high95.6Very high43 Ų4342.1 Ų42.120%0.20122%0.216CC..  trans-83.9143.5-174.3-58.3-165-1400111.6N148 D176 F219 F260 V261N148-Q178 PolarHBondContact ND2-O 3.15Å; D176-Q178 PolarHBondContact O-N 3.18Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.44Å; D176-Q178 PolarHBondContact OD1-N 3.37Å; Q178-F219 HydrophobicContact CB-CD1 4.03Å; Q178-F219 HydrophobicContact CB-CE1 3.68Å; Q178-F260 HydrophobicContact CB-CE2 4.19Å; Q178-F260 HydrophobicContact CG-CE2 4.48Å; Q178-V261 VanDerWaalsContact CA-O 3.27Å; Q178-V261 WeakPolarHBondContact CA-O 3.11Å
179L98.6Very high96.1Very high0 Ų034.7 Ų34.70%018%0.183CC..EExtended strand (participates in β ladder)trans-137.3142.4173.9-72.7169000109.3N148 L171 I181 F260 V261 T271 I273N148-L179 HydrophobicContact CB-CD2 4.44Å; N148-L179 VanDerWaalsContact O-CD2 3.24Å; N148-L179 WeakPolarHBondContact O-CD2 3.48Å; L171-L179 HydrophobicContact CD2-CD1 4.19Å; L171-L179 HydrophobicContact CG-CD1 4.21Å; L179-I181 HydrophobicContact CB-CG1 4.45Å; L179-F260 CarbonylContact O-C 3.59Å; L179-F260 WeakPolarHBondContact O-CA 3.48Å; L179-F260 WeakPolarHBondContact O-CD2 3.37Å; L179-V261 HydrophobicContact CB-CB 4.15Å; L179-V261 HydrophobicContact CB-CG2 4.2Å; L179-V261 PolarHBondContact N-O 3.48Å; L179-V261 PolarHBondContact O-N 3.49Å; L179-T271 HydrophobicContact CD1-CG2 4.15Å; L179-I273 HydrophobicContact CD1-CD1 4.39Å
180I98.6Very high96.1Very high0 Ų033.7 Ų33.70%018%0.175CC..EExtended strand (participates in β ladder)trans-114.7111.8164.4-65.7174.1000107.5C146 L147 T216 P217 D218 F219 T258 F260C146-I180 CarbonylContact C-O 3.51Å; C146-I180 VanDerWaalsContact CA-O 3.22Å; C146-I180 WeakPolarHBondContact CA-O 3.39Å; L147-I180 HydrophobicContact CB-CB 4.13Å; L147-I180 HydrophobicContact CD1-CB 4.36Å; L147-I180 HydrophobicContact CD1-CD1 4.2Å; L147-I180 HydrophobicContact CG-CB 4.3Å; L147-I180 PolarHBondContact N-O 3.04Å; L147-I180 PolarHBondContact O-N 3.47Å; I180-T216 HydrophobicContact CG2-CG2 3.98Å; I180-P217 WeakPolarHBondContact CD1-O 3.39Å; I180-P217 HydrophobicContact CG2-CG 4.3Å; I180-D218 VanDerWaalsContact CD1-C 3.49Å; I180-F219 HydrophobicContact CD1-CB 4.44Å; I180-F219 HydrophobicContact CD1-CD1 3.82Å; I180-F219 HydrophobicContact CD1-CD2 4.07Å; I180-F219 HydrophobicContact CD1-CE1 3.97Å; I180-F219 HydrophobicContact CD1-CE2 4.22Å; I180-F219 HydrophobicContact CD1-CG 3.85Å; I180-F219 HydrophobicContact CD1-CZ 4.16Å; I180-F219 HydrophobicContact CG1-CD1 4.03Å; I180-F219 HydrophobicContact CG1-CE1 3.79Å; I180-F219 HydrophobicContact CG1-CZ 4.11Å; I180-T258 HydrophobicContact CG2-CG2 3.69Å; I180-F260 HydrophobicContact CD1-CD2 4.46Å; I180-F260 HydrophobicContact CG1-CD2 3.73Å; I180-F260 HydrophobicContact CG1-CE2 4.44Å
181I98.6Very high96Very high1 Ų131.6 Ų31.61%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-105.9111.9177.9-57.1162.4000107.7L155 L171 L179 I183 T258 I259 I273 L276L155-I181 HydrophobicContact CD1-CG2 3.75Å; L155-I181 HydrophobicContact CD2-CG2 3.84Å; L155-I181 HydrophobicContact CG-CG2 4.44Å; L171-I181 HydrophobicContact CD2-CD1 3.7Å; L171-I181 HydrophobicContact CD2-CG1 3.99Å; L179-I181 HydrophobicContact CB-CG1 4.45Å; I181-I183 HydrophobicContact CG2-CD1 3.68Å; I181-I183 HydrophobicContact CG2-CG1 4.01Å; I181-T258 CarbonylContact O-C 3.58Å; I181-T258 WeakPolarHBondContact O-CA 3.3Å; I181-I259 HydrophobicContact CB-CB 4.2Å; I181-I259 HydrophobicContact CG2-CD1 4.48Å; I181-I259 PolarHBondContact N-O 2.86Å; I181-I259 PolarHBondContact O-N 2.73Å; I181-I273 HydrophobicContact CD1-CD1 3.66Å; I181-L276 HydrophobicContact CD1-CD2 4.37Å; I181-L276 HydrophobicContact CG2-CD2 3.89Å
182Y98.4Very high95.7Very high18 Ų1832.9 Ų32.97%0.07117%0.173CC..EExtended strand (participates in β ladder)trans-99.6113.1178.7-173-94.6000110.1C144 E145 T184 Q213 S215 T256 T258C144-Y182 CarbonylContact C-O 3.56Å; C144-Y182 WeakPolarHBondContact CA-O 3.17Å; C144-Y182 WeakPolarHBondContact CB-O 3.36Å; E145-Y182 PolarHBondContact N-O 2.74Å; E145-Y182 PolarHBondContact O-N 3.29Å; Y182-T184 WeakPolarHBondContact CE1-OG1 3.41Å; Y182-Q213 HydrophobicContact CE2-CB 4.26Å; Y182-Q213 PolarHBondContact OH-O 2.61Å; Y182-S215 WeakPolarHBondContact CE2-O 3.39Å; Y182-T256 HydrophobicContact CE1-CG2 4.24Å; Y182-T256 WeakPolarHBondContact OH-CG2 3.47Å; Y182-T258 VanDerWaalsContact CD2-OG1 3.31Å; Y182-T258 WeakPolarHBondContact CD2-OG1 3.23Å
183I98.2Very high95.6Very high0 Ų032 Ų320%017%0.168CC..EExtended strand (participates in β ladder)trans-106.5128.3-177.2-58-63.1000109.8L139 C144 L155 L159 I181 F185 T256 L257 I259 L276 F278L139-I183 HydrophobicContact CD2-CG2 3.46Å; L139-I183 VanDerWaalsContact CD2-CG2 3.46Å; C144-I183 HydrophobicContact CB-CD1 4.38Å; L155-I183 HydrophobicContact CD2-CD1 4.48Å; L159-I183 HydrophobicContact CD1-CD1 4.28Å; I181-I183 HydrophobicContact CG2-CD1 3.68Å; I181-I183 HydrophobicContact CG2-CG1 4.01Å; I183-F185 HydrophobicContact CG2-CE2 3.98Å; I183-F185 HydrophobicContact CG2-CZ 3.98Å; I183-T256 CarbonylContact O-C 3.6Å; I183-T256 WeakPolarHBondContact O-CA 3.43Å; I183-L257 HydrophobicContact CB-CB 4.39Å; I183-L257 WeakPolarHBondContact CB-O 3.36Å; I183-L257 PolarHBondContact N-O 2.66Å; I183-L257 PolarHBondContact O-N 2.83Å; I183-I259 HydrophobicContact CG1-CD1 4.48Å; I183-L276 HydrophobicContact CD1-CD2 4.28Å; I183-F278 HydrophobicContact CB-CZ 4.45Å; I183-F278 HydrophobicContact CD1-CE2 4.13Å; I183-F278 HydrophobicContact CD1-CZ 4.23Å; I183-F278 HydrophobicContact CG1-CE2 3.93Å; I183-F278 HydrophobicContact CG1-CZ 3.68Å; I183-F278 HydrophobicContact CG2-CE2 4Å; I183-F278 HydrophobicContact CG2-CZ 4.35Å
184T97.2Very high95.5Very high17 Ų1732 Ų3210%0.10417%0.169CC..EExtended strand (participates in β ladder)trans-111.9129.7175.8-58.40000110.3S140 Q143 C144 Y182 T256S140-T184 PolarHBondContact N-O 3.13Å; Q143-T184 HydrophobicContact CB-CG2 4.02Å; Q143-T184 PolarHBondContact O-OG1 3.4Å; C144-T184 PolarHBondContact SG-N 2.83Å; Y182-T184 WeakPolarHBondContact CE1-OG1 3.41Å; T184-T256 HydrophobicContact CG2-CG2 4.28Å
185F95.4Very high95.4Very high9 Ų928.4 Ų28.44%0.03915%0.149CC..EExtended strand (participates in β ladder)trans-96.9143.6173.4-61.4-88.3000110.5M135 L138 L139 I183 Q187 V189 I191 V254 S255 L257 F278M135-F185 HydrophobicContact CB-CE1 4.31Å; M135-F185 HydrophobicContact CE-CE1 4.21Å; M135-F185 HydrophobicContact CE-CZ 4.48Å; L138-F185 HydrophobicContact CB-CD1 4.35Å; L138-F185 CarbonylContact O-C 3.49Å; L138-F185 WeakPolarHBondContact O-CA 3.26Å; L139-F185 HydrophobicContact CD2-CD1 3.64Å; L139-F185 HydrophobicContact CD2-CE1 3.39Å; L139-F185 HydrophobicContact CD2-CG 4.44Å; L139-F185 HydrophobicContact CD2-CZ 4.02Å; I183-F185 HydrophobicContact CG2-CE2 3.98Å; I183-F185 HydrophobicContact CG2-CZ 3.98Å; F185-Q187 VanDerWaalsContact CB-O 3.23Å; F185-Q187 WeakPolarHBondContact CB-O 3.45Å; F185-Q187 PolarHBondContact O-N 2.77Å; F185-V189 HydrophobicContact CB-CG1 4.26Å; F185-V189 HydrophobicContact CB-CG2 4.42Å; F185-V189 HydrophobicContact CD1-CB 4.49Å; F185-V189 HydrophobicContact CD1-CG1 3.93Å; F185-V189 HydrophobicContact CD1-CG2 3.75Å; F185-V189 HydrophobicContact CD2-CG2 3.82Å; F185-V189 HydrophobicContact CE1-CG2 3.89Å; F185-V189 HydrophobicContact CE2-CG2 3.97Å; F185-V189 HydrophobicContact CG-CG1 4.18Å; F185-V189 HydrophobicContact CG-CG2 3.72Å; F185-V189 HydrophobicContact CZ-CG2 4.01Å; F185-I191 HydrophobicContact CE2-CD1 3.82Å; F185-I191 HydrophobicContact CZ-CD1 3.76Å; F185-V254 HydrophobicContact CD2-CG1 4.39Å; F185-V254 HydrophobicContact CE2-CG1 4.19Å; F185-S255 PolarHBondContact N-O 2.85Å; F185-L257 HydrophobicContact CE2-CB 4.12Å; F185-F278 HydrophobicContact CZ-CB 4.43Å; F185-F278 HydrophobicContact CZ-CD2 4.46Å; F185-F278 HydrophobicContact CZ-CG 4.24Å
186S92.1Very high95.4Very high75 Ų7523.2 Ų23.252%0.52412%0.117SC..EExtended strand (participates in β ladder)trans-70.2-13.5179.461.40000113.7L138 S140L138-S186 PolarHBondContact O-N 3.4Å; L138-S186 PolarHBondContact O-OG 2.72Å; L138-S186 VanDerWaalsContact O-OG 3.13Å; S140-S186 WeakPolarHBondContact OG-CA 3.28Å; S140-S186 PolarHBondContact OG-N 2.98Å
187Q88.5Confident95.4Very high81 Ų8120.7 Ų20.738%0.37910%0.104SC..EExtended strand (participates in β ladder)trans-152.9166.717460.3-1719.300109.3L138 F185 V189L138-Q187 HydrophobicContact CD2-CG 4.4Å; L138-Q187 VanDerWaalsContact CD2-NE2 3.31Å; F185-Q187 VanDerWaalsContact CB-O 3.23Å; F185-Q187 WeakPolarHBondContact CB-O 3.45Å; F185-Q187 PolarHBondContact O-N 2.77Å; Q187-V189 PolarHBondContact O-N 2.94Å
188F91.1Very high95.3Very high77 Ų7718.4 Ų18.434%0.33810%0.096SC..EExtended strand (participates in β ladder)trans-62136.4173.4-72.2-81000110.9N253 V254 V283F188-N253 WeakPolarHBondContact CB-OD1 3.45Å; F188-N253 VanDerWaalsContact CD1-CG 3.49Å; F188-N253 WeakPolarHBondContact CD1-OD1 3.4Å; F188-N253 VanDerWaalsContact CG-OD1 3.26Å; F188-N253 WeakPolarHBondContact CG-OD1 3.34Å; F188-V254 CarbonylContact C-O 3.59Å; F188-V254 WeakPolarHBondContact CA-O 3.46Å; F188-V283 HydrophobicContact CB-CB 3.83Å; F188-V283 HydrophobicContact CB-CG1 4.46Å; F188-V283 HydrophobicContact CB-CG2 4.08Å; F188-V283 WeakPolarHBondContact O-CB 3.43Å; F188-V283 PolarHBondContact O-N 3.24Å
189V92.8Very high95.2Very high0 Ų018 Ų180%010%0.097CC..EExtended strand (participates in β ladder)trans-126.6161.3177.9-59.60000111.8M135 L138 F185 Q187 I191 V254 Y281M135-V189 HydrophobicContact CE-CG2 4.41Å; M135-V189 HydrophobicContact SD-CB 3.82Å; M135-V189 HydrophobicContact SD-CG1 4.1Å; M135-V189 HydrophobicContact SD-CG2 4.11Å; L138-V189 HydrophobicContact CB-CG1 4.46Å; L138-V189 HydrophobicContact CD1-CG1 3.66Å; F185-V189 HydrophobicContact CB-CG1 4.26Å; F185-V189 HydrophobicContact CB-CG2 4.42Å; F185-V189 HydrophobicContact CD1-CB 4.49Å; F185-V189 HydrophobicContact CD1-CG1 3.93Å; F185-V189 HydrophobicContact CD1-CG2 3.75Å; F185-V189 HydrophobicContact CD2-CG2 3.82Å; F185-V189 HydrophobicContact CE1-CG2 3.89Å; F185-V189 HydrophobicContact CE2-CG2 3.97Å; F185-V189 HydrophobicContact CG-CG1 4.18Å; F185-V189 HydrophobicContact CG-CG2 3.72Å; F185-V189 HydrophobicContact CZ-CG2 4.01Å; Q187-V189 PolarHBondContact O-N 2.94Å; V189-I191 HydrophobicContact CG2-CD1 4.31Å; V189-I191 HydrophobicContact CG2-CG1 3.84Å; V189-V254 HydrophobicContact CG2-CB 4.11Å; V189-V254 WeakPolarHBondContact CG2-O 3.38Å; V189-V254 PolarHBondContact N-O 2.94Å; V189-V254 PolarHBondContact O-N 3.17Å; V189-Y281 CarbonylContact C-O 3.53Å; V189-Y281 WeakPolarHBondContact CA-O 3.3Å
190R91.9Very high95Very high17 Ų1724.4 Ų24.46%0.06413%0.125CC..EExtended strand (participates in β ladder)trans-103.5122163.2-58.9-175.4171.976.228.1108.1L113 F248 F251 Q252 G280 Y281 V283L113-R190 VanDerWaalsContact CD1-NH1 3.3Å; R190-F248 HydrophobicContact CB-CE2 3.78Å; R190-F248 HydrophobicContact CG-CE2 4.44Å; R190-F251 CarbonylContact C-O 3.53Å; R190-F251 WeakPolarHBondContact CA-O 3.24Å; R190-Q252 VanDerWaalsContact CG-O 3.3Å; R190-Q252 WeakPolarHBondContact CG-O 3.41Å; R190-G280 CarbonylContact O-C 3.38Å; R190-G280 WeakPolarHBondContact O-CA 3.31Å; R190-Y281 PolarHBondContact N-O 2.9Å; R190-Y281 PolarHBondContact O-N 3.4Å; R190-V283 HydrophobicContact CG-CG2 3.86Å
191I94.7Very high94.8Very high0 Ų028.5 Ų28.50%014%0.144CC..EExtended strand (participates in β ladder)trans-100124.4178.9-43.9-174.8000108.7M135 F185 V189 L246 F251 V254 L257M135-I191 HydrophobicContact CE-CB 4.17Å; M135-I191 HydrophobicContact CE-CG1 3.86Å; M135-I191 HydrophobicContact CE-CG2 3.91Å; F185-I191 HydrophobicContact CE2-CD1 3.82Å; F185-I191 HydrophobicContact CZ-CD1 3.76Å; V189-I191 HydrophobicContact CG2-CD1 4.31Å; V189-I191 HydrophobicContact CG2-CG1 3.84Å; I191-L246 HydrophobicContact CB-CD1 4.19Å; I191-L246 HydrophobicContact CG2-CD1 3.61Å; I191-F251 HydrophobicContact CB-CB 4.03Å; I191-F251 HydrophobicContact CB-CD1 4.49Å; I191-F251 PolarHBondContact N-O 3.46Å; I191-F251 WeakPolarHBondContact O-CB 3.43Å; I191-V254 HydrophobicContact CD1-CB 4.11Å; I191-V254 HydrophobicContact CD1-CG1 3.82Å; I191-V254 HydrophobicContact CD1-CG2 4.2Å; I191-V254 HydrophobicContact CG1-CB 4.23Å; I191-V254 HydrophobicContact CG1-CG1 4.48Å; I191-V254 HydrophobicContact CG1-CG2 4.12Å; I191-L257 HydrophobicContact CD1-CB 4.37Å; I191-L257 HydrophobicContact CD1-CD2 3.9Å
192Q91.5Very high94.8Very high26 Ų2629.9 Ų29.912%0.12115%0.152CC..EExtended strand (participates in β ladder)trans-97.4-39.9176.8-78.8-169.6-16.700112.1Q132 L246 F248 Y279 Y281Q132-Q192 HydrophobicContact CG-CB 4.41Å; Q192-L246 PolarHBondContact O-N 2.83Å; Q192-F248 HydrophobicContact CB-CD2 4.45Å; Q192-F248 HydrophobicContact CG-CD2 3.38Å; Q192-F248 HydrophobicContact CG-CE2 3.64Å; Q192-F248 HydrophobicContact CG-CG 4.24Å; Q192-Y279 PolarHBondContact N-O 3.41Å; Q192-Y281 HydrophobicContact CG-CE2 4.38Å
193S94.6Very high94.8Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-151.8164.3-17766.40000111Q132 I243 T244 Y279Q132-S193 PolarHBondContact NE2-OG 2.59Å; Q132-S193 PolarHBondContact OE1-OG 3.31Å; S193-I243 VanDerWaalsContact CB-CG2 3.41Å; S193-I243 WeakPolarHBondContact OG-CG2 3.34Å; S193-T244 VanDerWaalsContact CA-O 3.28Å; S193-T244 WeakPolarHBondContact CA-O 3.15Å; S193-T244 VanDerWaalsContact CB-O 3.3Å; S193-T244 WeakPolarHBondContact CB-O 3.45Å; S193-Y279 PolarHBondContact N-O 2.7Å; S193-Y279 PolarHBondContact O-N 3.13Å; S193-Y279 WeakPolarHBondContact OG-CB 3.39Å; S193-Y279 WeakPolarHBondContact OG-CD2 3.24Å
194V96.6Very high94.8Very high1 Ų129 Ų291%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-131.2143.6174.367.70000108.6I196 L231 T244 L246 L276 K277 F278V194-I196 HydrophobicContact CG1-CD1 4.05Å; V194-I196 HydrophobicContact CG1-CG1 4.23Å; V194-I196 HydrophobicContact CG2-CD1 4.06Å; V194-I196 HydrophobicContact CG2-CG1 3.72Å; V194-L231 HydrophobicContact CG1-CD1 3.96Å; V194-T244 PolarHBondContact N-O 2.96Å; V194-T244 PolarHBondContact O-N 2.84Å; V194-L246 HydrophobicContact CG1-CD2 4.02Å; V194-L276 HydrophobicContact CG2-CD1 4.25Å; V194-K277 CarbonylContact C-O 3.57Å; V194-K277 WeakPolarHBondContact CA-O 3.41Å; V194-K277 WeakPolarHBondContact CG2-O 3.33Å; V194-F278 HydrophobicContact CB-CD1 4.39Å; V194-F278 HydrophobicContact CG2-CD1 3.72Å; V194-F278 HydrophobicContact CG2-CE1 3.56Å; V194-F278 HydrophobicContact CG2-CZ 4.47Å
195Q95.6Very high94.8Very high6 Ų632.1 Ų32.13%0.02816%0.16CC..EExtended strand (participates in β ladder)trans-108.6115.8168.4171.6168.443.800107.4N197 G242 I243 K275 L276 K277 Y279Q195-N197 VanDerWaalsContact CD-OD1 3.29Å; Q195-N197 WeakPolarHBondContact CG-OD1 3.12Å; Q195-N197 PolarHBondContact NE2-OD1 3.2Å; Q195-G242 WeakPolarHBondContact CG-O 3.46Å; Q195-I243 HydrophobicContact CB-CG1 4.35Å; Q195-K275 HydrophobicContact CG-CD 4.28Å; Q195-K275 HydrophobicContact CG-CG 4.35Å; Q195-L276 CarbonylContact O-C 3.52Å; Q195-L276 VanDerWaalsContact O-CA 3.28Å; Q195-L276 WeakPolarHBondContact O-CA 3.3Å; Q195-K277 HydrophobicContact CB-CB 4.15Å; Q195-K277 PolarHBondContact N-O 3.12Å; Q195-K277 PolarHBondContact O-N 2.9Å; Q195-Y279 HydrophobicContact CB-CE2 3.92Å; Q195-Y279 PolarHBondContact OE1-OH 2.92Å
196I96.9Very high95Very high1 Ų132.5 Ų32.51%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-12697.4175.5-54.4171.2000105.6V194 P204 V207 L233 I259 I273 K275 L276V194-I196 HydrophobicContact CG1-CD1 4.05Å; V194-I196 HydrophobicContact CG1-CG1 4.23Å; V194-I196 HydrophobicContact CG2-CD1 4.06Å; V194-I196 HydrophobicContact CG2-CG1 3.72Å; I196-P204 HydrophobicContact CG2-CB 4.34Å; I196-P204 HydrophobicContact CG2-CG 3.79Å; I196-V207 HydrophobicContact CD1-CG1 4.31Å; I196-L233 HydrophobicContact CB-CD1 4.04Å; I196-L233 HydrophobicContact CD1-CD1 4.36Å; I196-L233 HydrophobicContact CG2-CD1 4.19Å; I196-I259 HydrophobicContact CD1-CG2 4.34Å; I196-I273 HydrophobicContact CG2-CD1 4.1Å; I196-I273 HydrophobicContact CG2-CG1 4.3Å; I196-I273 HydrophobicContact CG2-CG2 4.33Å; I196-K275 WeakPolarHBondContact CA-O 3.46Å; I196-L276 HydrophobicContact CG1-CD1 3.81Å
197N95.7Very high95.3Very high4 Ų428.9 Ų28.92%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-112.9156.7-176.6-56.7154.7000111.4Q195 D237 I238 K239 G242 I273 D274 K275Q195-N197 VanDerWaalsContact CD-OD1 3.29Å; Q195-N197 WeakPolarHBondContact CG-OD1 3.12Å; Q195-N197 PolarHBondContact NE2-OD1 3.2Å; N197-D237 PolarHBondContact ND2-O 3.19Å; N197-I238 CarbonylContact C-O 3.48Å; N197-I238 WeakPolarHBondContact CA-O 3.34Å; N197-I238 WeakPolarHBondContact CB-O 3.45Å; N197-K239 PolarHBondContact ND2-O 2.72Å; N197-K239 PolarHBondContact OD1-O 2.87Å; N197-G242 PolarHBondContact ND2-O 2.95Å; N197-G242 VanDerWaalsContact ND2-O 3.09Å; N197-I273 CarbonylContact O-C 3.57Å; N197-I273 WeakPolarHBondContact O-CA 3.15Å; N197-D274 PolarHBondContact O-N 2.8Å; N197-K275 HydrophobicContact CB-CB 4.11Å; N197-K275 PolarHBondContact N-O 2.86Å; N197-K275 PolarHBondContact O-N 2.74Å
198G95.7Very high95.7Very high11 Ų1126.2 Ų26.211%0.11313%0.125CC..  trans-176.8178.8178.300000111.1I238G198-I238 PolarHBondContact N-O 3.02Å
199P95.8Very high96.1Very high33 Ų3322.6 Ų22.621%0.21411%0.109CC..  trans-64.7147175.531.5-40000111.5E201 N202 A203 R272P199-E201 PolarHBondContact O-N 2.98Å; P199-E201 VanDerWaalsContact O-N 3.08Å; P199-N202 WeakPolarHBondContact CG-OD1 3.17Å; P199-N202 PolarHBondContact O-N 3.42Å; P199-A203 WeakPolarHBondContact O-CB 3.48Å; P199-A203 PolarHBondContact O-N 2.86Å; P199-R272 HydrophobicContact CG-CB 4.19Å; P199-R272 HydrophobicContact CG-CG 4.3Å
200K95.2Very high96.3Very high136 Ų13623.5 Ų23.559%0.59111%0.113SC*.THydrogen-bonded Turntrans-58.6-27.3-173.566.4176.8-177.1175.70114.1Q265K200-Q265 VanDerWaalsContact O-CB 3.23Å; K200-Q265 WeakPolarHBondContact O-CB 3.39Å
201E95.1Very high96.6Very high86 Ų8624.7 Ų24.740%0.40212%0.12SC..THydrogen-bonded Turntrans-73.7-50.2-177.1-6278.1-17000110.7P199 T266P199-E201 PolarHBondContact O-N 2.98Å; P199-E201 VanDerWaalsContact O-N 3.08Å; E201-T266 WeakPolarHBondContact O-CB 3.35Å; E201-T266 WeakPolarHBondContact O-CG2 3.44Å; E201-T266 PolarHBondContact O-N 2.63Å; E201-T266 PolarHBondContact O-OG1 2.87Å
202N97.5Very high96.6Very high30 Ų3027.8 Ų27.816%0.1614%0.137CC..THydrogen-bonded Turntrans-129.320.6-167.979.8-27.6000115.4P199 T268 Q270 T271 R272P199-N202 WeakPolarHBondContact CG-OD1 3.17Å; P199-N202 PolarHBondContact O-N 3.42Å; N202-T268 WeakPolarHBondContact CB-OG1 3.34Å; N202-Q270 VanDerWaalsContact CB-O 3.26Å; N202-Q270 WeakPolarHBondContact CB-O 3.48Å; N202-Q270 PolarHBondContact ND2-O 2.85Å; N202-T271 CarbonylContact O-C 3.55Å; N202-T271 VanDerWaalsContact O-CA 3.26Å; N202-T271 WeakPolarHBondContact O-CA 3.31Å; N202-R272 PolarHBondContact O-N 2.85Å; N202-R272 WeakPolarHBondContact OD1-CB 3.21Å
203A97.9Very high96.7Very high0 Ų029 Ų290%014%0.143CC..SBendtrans-65.9156.7163.800000111.7P199 I238 N264 Q265P199-A203 WeakPolarHBondContact O-CB 3.48Å; P199-A203 PolarHBondContact O-N 2.86Å; A203-I238 HydrophobicContact CB-CB 3.85Å; A203-I238 HydrophobicContact CB-CD1 3.62Å; A203-I238 HydrophobicContact CB-CG1 4.32Å; A203-I238 HydrophobicContact CB-CG2 3.87Å; A203-N264 CarbonylContact O-C 3.6Å; A203-N264 WeakPolarHBondContact O-CA 3.5Å; A203-N264 WeakPolarHBondContact O-CB 3.46Å; A203-Q265 HydrophobicContact CB-CG 4.3Å; A203-Q265 WeakPolarHBondContact O-CG 3.47Å; A203-Q265 PolarHBondContact O-N 2.83Å
204P98.5Very high96.5Very high0 Ų035.7 Ų35.70%018%0.184CC..BIsolated β-bridgetrans-56.6146.2175.2-25.735.2000113I196 V207 L233 V261 Q265 T271 I273I196-P204 HydrophobicContact CG2-CB 4.34Å; I196-P204 HydrophobicContact CG2-CG 3.79Å; P204-V207 HydrophobicContact CB-CG2 3.73Å; P204-L233 HydrophobicContact CB-CD1 4.12Å; P204-V261 HydrophobicContact CB-CG1 3.73Å; P204-V261 HydrophobicContact CB-CG2 4.11Å; P204-V261 HydrophobicContact CG-CG1 4.12Å; P204-V261 HydrophobicContact CG-CG2 4.03Å; P204-Q265 PolarHBondContact O-NE2 2.89Å; P204-T271 HydrophobicContact CG-CG2 3.71Å; P204-I273 HydrophobicContact CG-CD1 3.74Å; P204-I273 HydrophobicContact CG-CG1 3.61Å
205K98.4Very high96.4Very high81 Ų8139.2 Ų39.235%0.35221%0.209SC..  trans-117.8-70.3174.2176.4-179.8-177.1172.10111.3E232 L233 N263K205-E232 CarbonylContact O-C 2.96Å; K205-E232 WeakPolarHBondContact O-CA 3.21Å; K205-L233 PolarHBondContact O-N 3.01Å; K205-N263 WeakPolarHBondContact CB-OD1 3.42Å; K205-N263 PolarHBondContact N-O 3.44Å
206T98.3Very high96.3Very high17 Ų1740.2 Ų40.210%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-90.4116.6175.7-55.60000109.6T230 L231 E232 K262 N263T206-T230 HydrophobicContact CG2-CG2 4.09Å; T206-L231 WeakPolarHBondContact CA-O 3.42Å; T206-E232 WeakPolarHBondContact CG2-OE1 3.44Å; T206-E232 PolarHBondContact OG1-OE1 3.09Å; T206-E232 VanDerWaalsContact OG1-OE1 3.13Å; T206-E232 PolarHBondContact OG1-OE2 2.91Å; T206-K262 HydrophobicContact CG2-CB 4.23Å; T206-K262 HydrophobicContact CG2-CD 4.28Å; T206-K262 PolarHBondContact O-N 3.29Å; T206-N263 VanDerWaalsContact CB-OD1 3.3Å; T206-N263 WeakPolarHBondContact CB-OD1 3.26Å; T206-N263 PolarHBondContact N-OD1 2.94Å; T206-N263 PolarHBondContact OG1-ND2 3.38Å; T206-N263 PolarHBondContact OG1-OD1 3.2Å
207V98.5Very high96.3Very high0 Ų040.9 Ų40.90%022%0.219CC..EExtended strand (participates in β ladder)trans-124.9123.4-178177.50000110.3I196 P204 L209 T230 L231 L233 I259 F260 V261I196-V207 HydrophobicContact CD1-CG1 4.31Å; P204-V207 HydrophobicContact CB-CG2 3.73Å; V207-L209 HydrophobicContact CG1-CD2 3.95Å; V207-T230 CarbonylContact O-C 3.59Å; V207-T230 WeakPolarHBondContact O-CA 3.43Å; V207-L231 HydrophobicContact CB-CB 4.31Å; V207-L231 PolarHBondContact N-O 3.37Å; V207-L231 PolarHBondContact O-N 2.94Å; V207-L233 HydrophobicContact CG2-CD1 3.98Å; V207-L233 HydrophobicContact CG2-CG 4.41Å; V207-I259 HydrophobicContact CG1-CG2 3.34Å; V207-F260 CarbonylContact C-O 3.55Å; V207-F260 WeakPolarHBondContact CA-O 3.16Å; V207-V261 HydrophobicContact CG2-CG2 4.37Å
208K98.5Very high96.3Very high25 Ų2544.7 Ų44.711%0.10924%0.24CC..EExtended strand (participates in β ladder)trans-98.7133.6173.6-67.2-168.8-169.6178.80110.5F210 C222 E223 A227 T230 F260K208-F210 HydrophobicContact CB-CE2 3.78Å; K208-F210 HydrophobicContact CB-CZ 4.23Å; K208-F210 HydrophobicContact CD-CE2 4.48Å; K208-F210 HydrophobicContact CD-CZ 4.22Å; K208-C222 WeakPolarHBondContact CD-O 3.28Å; K208-C222 PolarHBondContact NZ-O 3.23Å; K208-E223 PolarHBondContact NZ-O 3.09Å; K208-A227 HydrophobicContact CB-CB 3.81Å; K208-A227 HydrophobicContact CD-CB 4.17Å; K208-A227 HydrophobicContact CG-CB 4.1Å; K208-T230 HydrophobicContact CG-CG2 4.23Å; K208-F260 HydrophobicContact CB-CB 4.29Å; K208-F260 HydrophobicContact CB-CD1 4.15Å; K208-F260 HydrophobicContact CD-CD1 4.11Å; K208-F260 HydrophobicContact CG-CD1 4.32Å; K208-F260 PolarHBondContact N-O 2.86Å; K208-F260 PolarHBondContact O-N 3.39Å
209L98.4Very high96.4Very high1 Ų146.9 Ų46.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-107.8137.4177.4-55.9-178.7000110.5V207 A227 I228 Q229 L231 L246 F251 L257 T258 I259V207-L209 HydrophobicContact CG1-CD2 3.95Å; L209-A227 CarbonylContact O-C 3.59Å; L209-A227 WeakPolarHBondContact O-CA 3.35Å; L209-A227 WeakPolarHBondContact O-CB 3.29Å; L209-I228 HydrophobicContact CB-CG2 4.19Å; L209-I228 VanDerWaalsContact O-CG2 3.26Å; L209-I228 WeakPolarHBondContact O-CG2 3.26Å; L209-I228 PolarHBondContact O-N 3.48Å; L209-Q229 WeakPolarHBondContact CB-O 3.32Å; L209-Q229 PolarHBondContact N-O 2.87Å; L209-L231 HydrophobicContact CD1-CD1 4.01Å; L209-L231 HydrophobicContact CD1-CG 4.23Å; L209-L231 HydrophobicContact CG-CD1 4.49Å; L209-L246 HydrophobicContact CD1-CD1 4.14Å; L209-L246 HydrophobicContact CD1-CD2 3.54Å; L209-L246 HydrophobicContact CD1-CG 4.49Å; L209-F251 HydrophobicContact CB-CE1 4.34Å; L209-F251 HydrophobicContact CB-CZ 4.16Å; L209-F251 HydrophobicContact CD1-CE1 4.18Å; L209-F251 HydrophobicContact CD1-CZ 3.82Å; L209-L257 HydrophobicContact CB-CD1 4.29Å; L209-L257 HydrophobicContact CD2-CD1 4.46Å; L209-T258 WeakPolarHBondContact CA-O 2.94Å; L209-I259 HydrophobicContact CD2-CB 4.2Å; L209-I259 HydrophobicContact CD2-CG1 3.77Å; L209-I259 HydrophobicContact CD2-CG2 4.12Å
210F97.9Very high96.5Very high18 Ų1851.3 Ų51.38%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-130.6147.7171.1-53.6-96.6000108.6K208 Q213 C222 E226 A227 L257 T258 F260K208-F210 HydrophobicContact CB-CE2 3.78Å; K208-F210 HydrophobicContact CB-CZ 4.23Å; K208-F210 HydrophobicContact CD-CE2 4.48Å; K208-F210 HydrophobicContact CD-CZ 4.22Å; F210-Q213 HydrophobicContact CB-CG 4.39Å; F210-C222 HydrophobicContact CE2-CB 4.18Å; F210-C222 HydrophobicContact CZ-CB 4.48Å; F210-E226 WeakPolarHBondContact CE1-O 3.31Å; F210-A227 HydrophobicContact CE1-CB 4.16Å; F210-A227 HydrophobicContact CE2-CB 4.46Å; F210-A227 HydrophobicContact CZ-CB 4.04Å; F210-L257 CarbonylContact O-C 3.57Å; F210-L257 WeakPolarHBondContact O-CA 3.49Å; F210-T258 PolarHBondContact N-O 2.84Å; F210-T258 PolarHBondContact O-N 3.2Å; F210-F260 HydrophobicContact CE2-CB 4.32Å
211I97.3Very high96.5Very high42 Ų4247.5 Ų47.522%0.21526%0.259CS..EExtended strand (participates in β ladder)trans-124.5153.2-179.559.1170.1000111Q213 I228 K250 F251 V254 T256 L257I211-Q213 PolarHBondContact O-N 2.99Å; I211-I228 HydrophobicContact CD1-CG1 4.38Å; I211-I228 HydrophobicContact CG1-CG1 4.47Å; I211-I228 HydrophobicContact CG1-CG2 4.39Å; I211-I228 HydrophobicContact CG2-CG2 4.15Å; I211-K250 WeakPolarHBondContact CD1-O 3.44Å; I211-F251 HydrophobicContact CG2-CD1 3.66Å; I211-F251 HydrophobicContact CG2-CE1 3.64Å; I211-V254 HydrophobicContact CB-CG1 4.24Å; I211-V254 HydrophobicContact CB-CG2 4.48Å; I211-V254 HydrophobicContact CD1-CG2 4.38Å; I211-V254 HydrophobicContact CG2-CG1 3.93Å; I211-V254 HydrophobicContact CG2-CG2 4.04Å; I211-T256 CarbonylContact C-O 3.44Å; I211-T256 VanDerWaalsContact CA-O 3.3Å; I211-T256 WeakPolarHBondContact CA-O 3.24Å; I211-L257 HydrophobicContact CG2-CD1 3.78Å
212N94.4Very high96.6Very high66 Ų6643.4 Ų43.435%0.35324%0.239SC..SBendtrans57.830.6170.1-57.6-25.9000113.9N253 V254 S255 T256N212-N253 PolarHBondContact ND2-O 3.39Å; N212-V254 WeakPolarHBondContact OD1-CA 3.4Å; N212-S255 PolarHBondContact OD1-N 2.9Å; N212-S255 PolarHBondContact OD1-OG 2.85Å; N212-T256 WeakPolarHBondContact CA-OG1 3.05Å; N212-T256 PolarHBondContact N-O 2.58Å; N212-T256 PolarHBondContact N-OG1 2.85Å
213Q94.1Very high96.5Very high50 Ų5045.1 Ų45.123%0.23425%0.247CC..  trans-70.9140.4167.5-70.4178.2-46.600109.3Y182 F210 I211 S215 T256 T258Y182-Q213 HydrophobicContact CE2-CB 4.26Å; Y182-Q213 PolarHBondContact OH-O 2.61Å; F210-Q213 HydrophobicContact CB-CG 4.39Å; I211-Q213 PolarHBondContact O-N 2.99Å; Q213-S215 VanDerWaalsContact C-N 3.31Å; Q213-S215 PolarHBondContact O-N 2.81Å; Q213-T256 PolarHBondContact N-OG1 2.94Å; Q213-T256 PolarHBondContact O-OG1 2.91Å; Q213-T258 PolarHBondContact OE1-OG1 2.76Å
214T90.1Very high96.3Very high142 Ų14252.1 Ų52.187%0.87128%0.283SS*.SBendtrans-77.5-16-176.449.70000114
215S93.6Very high96Very high75 Ų7553.2 Ų53.252%0.52429%0.294SS..SBendtrans-154.6166.1178.358.20000109.1Y182 Q213 P217Y182-S215 WeakPolarHBondContact CE2-O 3.39Å; Q213-S215 VanDerWaalsContact C-N 3.31Å; Q213-S215 PolarHBondContact O-N 2.81Å; S215-P217 WeakPolarHBondContact O-CD 3.37Å
216T95.4Very high95.8Very high27 Ų2758.4 Ų58.417%0.16632%0.319CS..PPolyproline II helixtrans-59.4119.3171.3-53.10000109.5E145 L147 I180E145-T216 PolarHBondContact OE2-OG1 2.85Å; L147-T216 HydrophobicContact CD1-CG2 3.79Å; L147-T216 HydrophobicContact CD2-CG2 4.27Å; L147-T216 HydrophobicContact CG-CG2 3.83Å; I180-T216 HydrophobicContact CG2-CG2 3.98Å
217P95.5Very high95.7Very high14 Ų1458.5 Ų58.59%0.09132%0.322CS..PPolyproline II helixtrans-73.7163.4175.833.5-37.8000111.1I180 S215 C222 T258I180-P217 WeakPolarHBondContact CD1-O 3.39Å; I180-P217 HydrophobicContact CG2-CG 4.3Å; S215-P217 WeakPolarHBondContact O-CD 3.37Å; P217-C222 WeakPolarHBondContact CG-SG 3.29Å; P217-T258 HydrophobicContact CG-CG2 3.73Å
218D97.1Very high95.6Very high85 Ų8561 Ų6146%0.45534%0.335SS..PPolyproline II helixtrans-85.3170.9169.157.640.8000112.2I180 S221 C222I180-D218 VanDerWaalsContact CD1-C 3.49Å; D218-S221 PolarHBondContact O-N 2.85Å; D218-S221 WeakPolarHBondContact OD1-CA 3.25Å; D218-S221 WeakPolarHBondContact OD1-CB 3.29Å; D218-S221 PolarHBondContact OD1-N 2.91Å; D218-S221 PolarHBondContact OD1-OG 3.17Å; D218-C222 PolarHBondContact O-N 2.71Å; D218-C222 PolarHBondContact O-SG 2.72Å
219F97.5Very high95.5Very high57 Ų5761.5 Ų61.525%0.2534%0.337CS..Hα-helixtrans-62.8-44.1-179.2-71.4-84.7000112.4L147 N148 Q178 I180 S221 C222 E223 F260L147-F219 HydrophobicContact CB-CE2 3.9Å; L147-F219 HydrophobicContact CB-CZ 3.98Å; L147-F219 HydrophobicContact CD1-CE2 4.41Å; N148-F219 HydrophobicContact CB-CE2 4.42Å; N148-F219 HydrophobicContact CB-CZ 3.73Å; Q178-F219 HydrophobicContact CB-CD1 4.03Å; Q178-F219 HydrophobicContact CB-CE1 3.68Å; I180-F219 HydrophobicContact CD1-CB 4.44Å; I180-F219 HydrophobicContact CD1-CD1 3.82Å; I180-F219 HydrophobicContact CD1-CD2 4.07Å; I180-F219 HydrophobicContact CD1-CE1 3.97Å; I180-F219 HydrophobicContact CD1-CE2 4.22Å; I180-F219 HydrophobicContact CD1-CG 3.85Å; I180-F219 HydrophobicContact CD1-CZ 4.16Å; I180-F219 HydrophobicContact CG1-CD1 4.03Å; I180-F219 HydrophobicContact CG1-CE1 3.79Å; I180-F219 HydrophobicContact CG1-CZ 4.11Å; F219-S221 VanDerWaalsContact C-N 3.35Å; F219-S221 PolarHBondContact O-N 3.19Å; F219-C222 PolarHBondContact O-N 3.48Å; F219-E223 WeakPolarHBondContact O-CB 3.4Å; F219-E223 PolarHBondContact O-N 3.29Å; F219-F260 HydrophobicContact CD1-CD2 4.43Å; F219-F260 AromaticContact CD1-CE2 3.77Å; F219-F260 HydrophobicContact CD1-CE2 3.77Å; F219-F260 HydrophobicContact CE1-CE2 4.22Å
220D96.8Very high95.4Very high125 Ų12564.9 Ų64.967%0.66836%0.358SS*.Hα-helixtrans-60-45.4179.3-71.4-24.3000111.4C222 E223 I224D220-C222 VanDerWaalsContact C-N 3.34Å; D220-C222 PolarHBondContact O-N 2.86Å; D220-E223 PolarHBondContact O-N 3.25Å; D220-I224 WeakPolarHBondContact O-CG1 3.22Å; D220-I224 PolarHBondContact O-N 3.24Å
221S96Very high95.4Very high56 Ų5664.4 Ų64.439%0.39236%0.356SS..Hα-helixtrans-62.4-39.2177.8-62.30000112.2D218 F219 G225D218-S221 PolarHBondContact O-N 2.85Å; D218-S221 WeakPolarHBondContact OD1-CA 3.25Å; D218-S221 WeakPolarHBondContact OD1-CB 3.29Å; D218-S221 PolarHBondContact OD1-N 2.91Å; D218-S221 PolarHBondContact OD1-OG 3.17Å; F219-S221 VanDerWaalsContact C-N 3.35Å; F219-S221 PolarHBondContact O-N 3.19Å; S221-G225 VanDerWaalsContact O-CA 3.24Å; S221-G225 WeakPolarHBondContact O-CA 3.4Å; S221-G225 PolarHBondContact O-N 3.5Å
222C96.1Very high95.4Very high0 Ų067.6 Ų67.60%037%0.37CS..Hα-helixtrans-71.7-33.3176.6-66.60000112.7K208 F210 P217 D218 F219 D220 F260K208-C222 WeakPolarHBondContact CD-O 3.28Å; K208-C222 PolarHBondContact NZ-O 3.23Å; F210-C222 HydrophobicContact CE2-CB 4.18Å; F210-C222 HydrophobicContact CZ-CB 4.48Å; P217-C222 WeakPolarHBondContact CG-SG 3.29Å; D218-C222 PolarHBondContact O-N 2.71Å; D218-C222 PolarHBondContact O-SG 2.72Å; F219-C222 PolarHBondContact O-N 3.48Å; D220-C222 VanDerWaalsContact C-N 3.34Å; D220-C222 PolarHBondContact O-N 2.86Å; C222-F260 HydrophobicContact CB-CB 3.89Å; C222-F260 HydrophobicContact CB-CD1 3.53Å; C222-F260 HydrophobicContact CB-CD2 4.01Å; C222-F260 HydrophobicContact CB-CE1 3.99Å; C222-F260 HydrophobicContact CB-CE2 4.44Å; C222-F260 HydrophobicContact CB-CG 3.53Å; C222-F260 HydrophobicContact CB-CZ 4.42Å
223E95.6Very high95.6Very high66 Ų6664.6 Ų64.631%0.30835%0.354SS..Hα-helixtrans-71.1-43.7-179-169.259.2-150.400111.5K208 F219 D220 F260 K262K208-E223 PolarHBondContact NZ-O 3.09Å; F219-E223 WeakPolarHBondContact O-CB 3.4Å; F219-E223 PolarHBondContact O-N 3.29Å; D220-E223 PolarHBondContact O-N 3.25Å; E223-F260 VanDerWaalsContact OE2-CE1 3.28Å; E223-F260 WeakPolarHBondContact OE2-CE1 3.11Å; E223-F260 WeakPolarHBondContact OE2-CZ 3.26Å; E223-K262 VanDerWaalsContact OE1-CE 3.28Å; E223-K262 WeakPolarHBondContact OE1-CE 3.15Å; E223-K262 IonicContact OE1-NZ 3.64Å; E223-K262 PolarHBondContact OE1-NZ 3.18Å
224I94.7Very high95.7Very high148 Ų14865.7 Ų65.776%0.75937%0.365SS*.Hα-helixtrans-88.3-23179.572.7-172.6000113.4D220D220-I224 WeakPolarHBondContact O-CG1 3.22Å; D220-I224 PolarHBondContact O-N 3.24Å
225G91.3Very high95.8Very high23 Ų2365.9 Ų65.924%0.23736%0.355CS..SBendtrans-68146.9-174.100000113.7S221 A227S221-G225 VanDerWaalsContact O-CA 3.24Å; S221-G225 WeakPolarHBondContact O-CA 3.4Å; S221-G225 PolarHBondContact O-N 3.5Å; G225-A227 PolarHBondContact O-N 3.07Å
226E93.9Very high95.8Very high190 Ų19067.4 Ų67.489%0.88836%0.358SS*.  trans-76107.9171.3-171.2-178.9175.300109.7F210F210-E226 WeakPolarHBondContact CE1-O 3.31Å
227A96.8Very high95.8Very high18 Ų1867.6 Ų67.615%0.14936%0.358CS..  trans-67.7143.1175.400000111K208 L209 F210 G225 Q229K208-A227 HydrophobicContact CB-CB 3.81Å; K208-A227 HydrophobicContact CD-CB 4.17Å; K208-A227 HydrophobicContact CG-CB 4.1Å; L209-A227 CarbonylContact O-C 3.59Å; L209-A227 WeakPolarHBondContact O-CA 3.35Å; L209-A227 WeakPolarHBondContact O-CB 3.29Å; F210-A227 HydrophobicContact CE1-CB 4.16Å; F210-A227 HydrophobicContact CE2-CB 4.46Å; F210-A227 HydrophobicContact CZ-CB 4.04Å; G225-A227 PolarHBondContact O-N 3.07Å; A227-Q229 PolarHBondContact O-N 2.81Å
228I96Very high95.8Very high54 Ų5467.1 Ų67.128%0.27736%0.355SS..SBendtrans-62.3-33.2173.3-168.160.9000110.5L209 I211 K250 F251L209-I228 HydrophobicContact CB-CG2 4.19Å; L209-I228 VanDerWaalsContact O-CG2 3.26Å; L209-I228 WeakPolarHBondContact O-CG2 3.26Å; L209-I228 PolarHBondContact O-N 3.48Å; I211-I228 HydrophobicContact CD1-CG1 4.38Å; I211-I228 HydrophobicContact CG1-CG1 4.47Å; I211-I228 HydrophobicContact CG1-CG2 4.39Å; I211-I228 HydrophobicContact CG2-CG2 4.15Å; I228-K250 HydrophobicContact CD1-CB 4.18Å; I228-K250 HydrophobicContact CD1-CD 4.07Å; I228-K250 HydrophobicContact CD1-CG 4.39Å; I228-K250 HydrophobicContact CG1-CB 3.88Å; I228-K250 HydrophobicContact CG1-CD 4.06Å; I228-K250 HydrophobicContact CG1-CG 4.46Å; I228-K250 WeakPolarHBondContact O-CD 3.4Å; I228-K250 PolarHBondContact O-NZ 3.17Å; I228-F251 HydrophobicContact CG2-CE1 3.71Å; I228-F251 HydrophobicContact CG2-CE2 4.3Å; I228-F251 HydrophobicContact CG2-CZ 3.48Å; I228-F251 VanDerWaalsContact CG2-CZ 3.48Å
229Q96.4Very high95.6Very high35 Ų3568.2 Ų68.216%0.16436%0.355CS..EExtended strand (participates in β ladder)trans-155.1139.1170.3-179.5168-18.300109.7L209 A227 L231 F251L209-Q229 WeakPolarHBondContact CB-O 3.32Å; L209-Q229 PolarHBondContact N-O 2.87Å; A227-Q229 PolarHBondContact O-N 2.81Å; Q229-L231 HydrophobicContact CG-CD2 3.91Å; Q229-F251 HydrophobicContact CB-CE2 4.05Å; Q229-F251 HydrophobicContact CB-CZ 3.99Å
230T97.8Very high95.2Very high72 Ų7271.2 Ų71.244%0.44237%0.374SS..EExtended strand (participates in β ladder)trans-104.8134.9167.6-54.80000108.6T206 V207 K208T206-T230 HydrophobicContact CG2-CG2 4.09Å; V207-T230 CarbonylContact O-C 3.59Å; V207-T230 WeakPolarHBondContact O-CA 3.43Å; K208-T230 HydrophobicContact CG-CG2 4.23Å
231L97.6Very high94.6Very high8 Ų867.6 Ų67.64%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-107.6138.9175.2-50.9179.4000109.2V194 T206 V207 L209 Q229 L233 T244 L246V194-L231 HydrophobicContact CG1-CD1 3.96Å; T206-L231 WeakPolarHBondContact CA-O 3.42Å; V207-L231 HydrophobicContact CB-CB 4.31Å; V207-L231 PolarHBondContact N-O 3.37Å; V207-L231 PolarHBondContact O-N 2.94Å; L209-L231 HydrophobicContact CD1-CD1 4.01Å; L209-L231 HydrophobicContact CD1-CG 4.23Å; L209-L231 HydrophobicContact CG-CD1 4.49Å; Q229-L231 HydrophobicContact CG-CD2 3.91Å; L231-L233 HydrophobicContact CB-CD2 4.03Å; L231-L233 HydrophobicContact CD1-CD2 4.25Å; L231-T244 HydrophobicContact CD1-CG2 4.02Å; L231-T244 HydrophobicContact CD2-CG2 4.05Å; L231-T244 HydrophobicContact CG-CG2 4.48Å; L231-L246 HydrophobicContact CD1-CD2 3.98Å; L231-L246 HydrophobicContact CD2-CD2 3.95Å
232E97.6Very high94.3Very high108 Ų10865.2 Ų65.251%0.50535%0.35SS..EExtended strand (participates in β ladder)trans-113.197.1165.9-65.7-61.7153.200106.9K205 T206K205-E232 CarbonylContact O-C 2.96Å; K205-E232 WeakPolarHBondContact O-CA 3.21Å; T206-E232 WeakPolarHBondContact CG2-OE1 3.44Å; T206-E232 PolarHBondContact OG1-OE1 3.09Å; T206-E232 VanDerWaalsContact OG1-OE1 3.13Å; T206-E232 PolarHBondContact OG1-OE2 2.91Å
233L97.4Very high94Very high4 Ų468.1 Ų68.12%0.02137%0.365CS..  trans-75.4128.8-175.7-55.9-178000110.2I196 P204 K205 V207 L231 D237 I238 T244 Q265I196-L233 HydrophobicContact CB-CD1 4.04Å; I196-L233 HydrophobicContact CD1-CD1 4.36Å; I196-L233 HydrophobicContact CG2-CD1 4.19Å; P204-L233 HydrophobicContact CB-CD1 4.12Å; K205-L233 PolarHBondContact O-N 3.01Å; V207-L233 HydrophobicContact CG2-CD1 3.98Å; V207-L233 HydrophobicContact CG2-CG 4.41Å; L231-L233 HydrophobicContact CB-CD2 4.03Å; L231-L233 HydrophobicContact CD1-CD2 4.25Å; L233-D237 HydrophobicContact CB-CB 4.16Å; L233-D237 HydrophobicContact CD2-CB 4.18Å; L233-I238 HydrophobicContact CB-CG2 3.95Å; L233-I238 HydrophobicContact CD1-CG2 4.28Å; L233-T244 HydrophobicContact CD2-CG2 3.95Å; L233-T244 VanDerWaalsContact CD2-OG1 3.32Å; L233-T244 WeakPolarHBondContact CD2-OG1 3.42Å; L233-Q265 PolarHBondContact O-NE2 3.28Å
234T95.8Very high93.9Very high73 Ų7365.8 Ų65.845%0.44836%0.355SS..  trans-91.3171.7175.967.80000111.5D236 D237 I238T234-D236 PolarHBondContact O-N 3.05Å; T234-D236 VanDerWaalsContact O-N 3.17Å; T234-D236 PolarHBondContact OG1-N 3.13Å; T234-D237 WeakPolarHBondContact CB-OD2 3.37Å; T234-D237 PolarHBondContact N-OD2 3.08Å; T234-D237 WeakPolarHBondContact O-CB 3.41Å; T234-D237 PolarHBondContact O-N 2.88Å; T234-D237 PolarHBondContact OG1-N 2.77Å; T234-D237 PolarHBondContact OG1-OD2 2.84Å; T234-I238 PolarHBondContact O-N 3.34Å
235E93.3Very high93.8Very high145 Ų14563.8 Ų63.868%0.67834%0.343SS*.Hα-helixtrans-55-31.1171.9-67.6-174.9-16800112.9I238E235-I238 WeakPolarHBondContact O-CG1 3.44Å
236D93.4Very high93.9Very high107 Ų10763.3 Ų63.357%0.57234%0.335SS*.Hα-helixtrans-75.8-26.7177.4-84.1-33.8000113.4T234 K239T234-D236 PolarHBondContact O-N 3.05Å; T234-D236 VanDerWaalsContact O-N 3.17Å; T234-D236 PolarHBondContact OG1-N 3.13Å; D236-K239 WeakPolarHBondContact O-CE 3.49Å; D236-K239 WeakPolarHBondContact O-CG 3.13Å; D236-K239 IonicContact OD1-NZ 3.47Å; D236-K239 PolarHBondContact OD1-NZ 2.86Å
237D95.3Very high93.6Very high32 Ų3257.8 Ų57.817%0.17131%0.311CS..Hα-helixtrans-77.2-35.5177.9-66.8-69.4000111.9N197 L233 T234 G242 T244N197-D237 PolarHBondContact ND2-O 3.19Å; L233-D237 HydrophobicContact CB-CB 4.16Å; L233-D237 HydrophobicContact CD2-CB 4.18Å; T234-D237 WeakPolarHBondContact CB-OD2 3.37Å; T234-D237 PolarHBondContact N-OD2 3.08Å; T234-D237 WeakPolarHBondContact O-CB 3.41Å; T234-D237 PolarHBondContact O-N 2.88Å; T234-D237 PolarHBondContact OG1-N 2.77Å; T234-D237 PolarHBondContact OG1-OD2 2.84Å; D237-G242 CarbonylContact O-C 3.51Å; D237-G242 WeakPolarHBondContact O-CA 3.48Å; D237-T244 PolarHBondContact OD1-OG1 3.28Å
238I95.7Very high92.7Very high4 Ų460 Ų602%0.02132%0.318CS..Hα-helixtrans-89.1-13-172.463.6169.4000114.4N197 G198 A203 L233 T234 E235 Q265N197-I238 CarbonylContact C-O 3.48Å; N197-I238 WeakPolarHBondContact CA-O 3.34Å; N197-I238 WeakPolarHBondContact CB-O 3.45Å; G198-I238 PolarHBondContact N-O 3.02Å; A203-I238 HydrophobicContact CB-CB 3.85Å; A203-I238 HydrophobicContact CB-CD1 3.62Å; A203-I238 HydrophobicContact CB-CG1 4.32Å; A203-I238 HydrophobicContact CB-CG2 3.87Å; L233-I238 HydrophobicContact CB-CG2 3.95Å; L233-I238 HydrophobicContact CD1-CG2 4.28Å; T234-I238 PolarHBondContact O-N 3.34Å; E235-I238 WeakPolarHBondContact O-CG1 3.44Å; I238-Q265 HydrophobicContact CD1-CG 3.62Å
239K92.5Very high91.9Very high108 Ų10862.9 Ų62.947%0.4734%0.338SS..SBendtrans-70.4160.8176.172.8-170176.3-169.90110.9N197 D236 G241 G242N197-K239 PolarHBondContact ND2-O 2.72Å; N197-K239 PolarHBondContact OD1-O 2.87Å; D236-K239 WeakPolarHBondContact O-CE 3.49Å; D236-K239 WeakPolarHBondContact O-CG 3.13Å; D236-K239 IonicContact OD1-NZ 3.47Å; D236-K239 PolarHBondContact OD1-NZ 2.86Å; K239-G241 PolarHBondContact O-N 2.83Å; K239-G242 WeakPolarHBondContact O-CA 3.43Å; K239-G242 PolarHBondContact O-N 2.59Å
240D88.7Confident91.5Very high120 Ų12065.7 Ų65.764%0.64235%0.349SS*.THydrogen-bonded Turntrans-56.3128.4176.1-172.239.7000111.8G242 K275D240-G242 VanDerWaalsContact C-N 3.28Å; D240-G242 PolarHBondContact O-N 2.78Å; D240-K275 IonicContact OD1-NZ 3.26Å; D240-K275 PolarHBondContact OD1-NZ 3.32Å
241G84.4Confident91.3Very high49 Ų4962.3 Ų62.351%0.50533%0.328SS..THydrogen-bonded Turntrans81.8-4.2-173.800000115.3K239 I243K239-G241 PolarHBondContact O-N 2.83Å; G241-I243 PolarHBondContact O-N 2.82Å
242G89.6Confident90.8Very high6 Ų664.6 Ų64.66%0.06234%0.339CS..  trans-65.4127.4171.200000110.9Q195 N197 D237 K239 D240Q195-G242 WeakPolarHBondContact CG-O 3.46Å; N197-G242 PolarHBondContact ND2-O 2.95Å; N197-G242 VanDerWaalsContact ND2-O 3.09Å; D237-G242 CarbonylContact O-C 3.51Å; D237-G242 WeakPolarHBondContact O-CA 3.48Å; K239-G242 WeakPolarHBondContact O-CA 3.43Å; K239-G242 PolarHBondContact O-N 2.59Å; D240-G242 VanDerWaalsContact C-N 3.28Å; D240-G242 PolarHBondContact O-N 2.78Å
243I91.3Very high90.4Very high61 Ų6163.1 Ų63.131%0.31333%0.334SS..  trans-129.7125-177.3-65.3174.5000108.6S193 Q195 G241 Y279S193-I243 VanDerWaalsContact CB-CG2 3.41Å; S193-I243 WeakPolarHBondContact OG-CG2 3.34Å; Q195-I243 HydrophobicContact CB-CG1 4.35Å; G241-I243 PolarHBondContact O-N 2.82Å; I243-Y279 HydrophobicContact CD1-CE2 3.99Å; I243-Y279 HydrophobicContact CG1-CE2 4.21Å
244T93.5Very high90.3Very high16 Ų1662.9 Ų62.910%0.09833%0.333CS..EExtended strand (participates in β ladder)trans-98.5123.2178.9-53.40000110.4S193 V194 L231 L233 D237S193-T244 VanDerWaalsContact CA-O 3.28Å; S193-T244 WeakPolarHBondContact CA-O 3.15Å; S193-T244 VanDerWaalsContact CB-O 3.3Å; S193-T244 WeakPolarHBondContact CB-O 3.45Å; V194-T244 PolarHBondContact N-O 2.96Å; V194-T244 PolarHBondContact O-N 2.84Å; L231-T244 HydrophobicContact CD1-CG2 4.02Å; L231-T244 HydrophobicContact CD2-CG2 4.05Å; L231-T244 HydrophobicContact CG-CG2 4.48Å; L233-T244 HydrophobicContact CD2-CG2 3.95Å; L233-T244 VanDerWaalsContact CD2-OG1 3.32Å; L233-T244 WeakPolarHBondContact CD2-OG1 3.42Å; D237-T244 PolarHBondContact OD1-OG1 3.28Å
245Q91.7Very high90.2Very high106 Ų10661.1 Ų61.150%0.49532%0.324SS..EExtended strand (participates in β ladder)trans-75.4133.9179.6-60.3-62.4-32.200111.1
246L93.5Very high90.4Very high13 Ų1354.8 Ų54.87%0.06830%0.295CS..PPolyproline II helixtrans-93.2158.5172.4-55-173.2000110I191 Q192 V194 L209 L231 F248 F251I191-L246 HydrophobicContact CB-CD1 4.19Å; I191-L246 HydrophobicContact CG2-CD1 3.61Å; Q192-L246 PolarHBondContact O-N 2.83Å; V194-L246 HydrophobicContact CG1-CD2 4.02Å; L209-L246 HydrophobicContact CD1-CD1 4.14Å; L209-L246 HydrophobicContact CD1-CD2 3.54Å; L209-L246 HydrophobicContact CD1-CG 4.49Å; L231-L246 HydrophobicContact CD1-CD2 3.98Å; L231-L246 HydrophobicContact CD2-CD2 3.95Å; L246-F248 PolarHBondContact O-N 2.79Å; L246-F251 HydrophobicContact CB-CD2 3.91Å; L246-F251 HydrophobicContact CB-CE2 3.92Å; L246-F251 HydrophobicContact CD1-CD1 4.12Å; L246-F251 HydrophobicContact CD1-CD2 4.25Å; L246-F251 HydrophobicContact CD1-CE1 4.05Å; L246-F251 HydrophobicContact CD1-CE2 4.21Å; L246-F251 HydrophobicContact CD1-CG 4.23Å; L246-F251 HydrophobicContact CD1-CZ 4.09Å
247N87.4Confident90.6Very high74 Ų7449.7 Ų49.740%0.39627%0.268SS..  trans-71.386.3168.2-176.9-19.5000108.8V249 K250 F251N247-V249 PolarHBondContact O-N 2.69Å; N247-V249 PolarHBondContact OD1-N 3.25Å; N247-K250 HydrophobicContact CB-CD 4.23Å; N247-K250 HydrophobicContact CB-CG 4.3Å; N247-K250 WeakPolarHBondContact O-CB 3.5Å; N247-K250 PolarHBondContact O-N 2.78Å; N247-F251 WeakPolarHBondContact O-CD2 3.18Å
248F78.3Confident90.8Very high64 Ų6448.2 Ų48.228%0.28126%0.26SS..G310 helixtrans-45-36.1-175.3174.2-112.2000114.1R190 Q192 L246 K250 F251 Q252R190-F248 HydrophobicContact CB-CE2 3.78Å; R190-F248 HydrophobicContact CG-CE2 4.44Å; Q192-F248 HydrophobicContact CB-CD2 4.45Å; Q192-F248 HydrophobicContact CG-CD2 3.38Å; Q192-F248 HydrophobicContact CG-CE2 3.64Å; Q192-F248 HydrophobicContact CG-CG 4.24Å; L246-F248 PolarHBondContact O-N 2.79Å; F248-K250 PolarHBondContact O-N 2.7Å; F248-F251 CarbonylContact O-C 3.54Å; F248-F251 PolarHBondContact O-N 3Å; F248-F251 VanDerWaalsContact O-N 3.09Å; F248-Q252 VanDerWaalsContact CD2-NE2 3.3Å; F248-Q252 PolarHBondContact O-NE2 3.02Å
249V78.6Confident90.9Very high116 Ų11648 Ų4870%0.70326%0.259SS*.G310 helixtrans-60.7-30.8179.6-174.10000112.1N247 Q252N247-V249 PolarHBondContact O-N 2.69Å; N247-V249 PolarHBondContact OD1-N 3.25Å; V249-Q252 WeakPolarHBondContact O-CG 3.48Å
250K88.8Confident91.2Very high94 Ų9442.9 Ų42.941%0.40924%0.237SC..G310 helixtrans-81.1-22.6178-62.8-174.4171.3-173.40113.5I211 I228 N247 F248I211-K250 WeakPolarHBondContact CD1-O 3.44Å; I228-K250 HydrophobicContact CD1-CB 4.18Å; I228-K250 HydrophobicContact CD1-CD 4.07Å; I228-K250 HydrophobicContact CD1-CG 4.39Å; I228-K250 HydrophobicContact CG1-CB 3.88Å; I228-K250 HydrophobicContact CG1-CD 4.06Å; I228-K250 HydrophobicContact CG1-CG 4.46Å; I228-K250 WeakPolarHBondContact O-CD 3.4Å; I228-K250 PolarHBondContact O-NZ 3.17Å; N247-K250 HydrophobicContact CB-CD 4.23Å; N247-K250 HydrophobicContact CB-CG 4.3Å; N247-K250 WeakPolarHBondContact O-CB 3.5Å; N247-K250 PolarHBondContact O-N 2.78Å; F248-K250 PolarHBondContact O-N 2.7Å
251F93.2Very high91.7Very high0 Ų037.1 Ų37.10%021%0.206CC..  trans-111.248.4-173.5-63.6-95.2000111.8R190 I191 L209 I211 I228 Q229 L246 N247 F248 V254 L257R190-F251 CarbonylContact C-O 3.53Å; R190-F251 WeakPolarHBondContact CA-O 3.24Å; I191-F251 HydrophobicContact CB-CB 4.03Å; I191-F251 HydrophobicContact CB-CD1 4.49Å; I191-F251 PolarHBondContact N-O 3.46Å; I191-F251 WeakPolarHBondContact O-CB 3.43Å; L209-F251 HydrophobicContact CB-CE1 4.34Å; L209-F251 HydrophobicContact CB-CZ 4.16Å; L209-F251 HydrophobicContact CD1-CE1 4.18Å; L209-F251 HydrophobicContact CD1-CZ 3.82Å; I211-F251 HydrophobicContact CG2-CD1 3.66Å; I211-F251 HydrophobicContact CG2-CE1 3.64Å; I228-F251 HydrophobicContact CG2-CE1 3.71Å; I228-F251 HydrophobicContact CG2-CE2 4.3Å; I228-F251 HydrophobicContact CG2-CZ 3.48Å; I228-F251 VanDerWaalsContact CG2-CZ 3.48Å; Q229-F251 HydrophobicContact CB-CE2 4.05Å; Q229-F251 HydrophobicContact CB-CZ 3.99Å; L246-F251 HydrophobicContact CB-CD2 3.91Å; L246-F251 HydrophobicContact CB-CE2 3.92Å; L246-F251 HydrophobicContact CD1-CD1 4.12Å; L246-F251 HydrophobicContact CD1-CD2 4.25Å; L246-F251 HydrophobicContact CD1-CE1 4.05Å; L246-F251 HydrophobicContact CD1-CE2 4.21Å; L246-F251 HydrophobicContact CD1-CG 4.23Å; L246-F251 HydrophobicContact CD1-CZ 4.09Å; N247-F251 WeakPolarHBondContact O-CD2 3.18Å; F248-F251 CarbonylContact O-C 3.54Å; F248-F251 PolarHBondContact O-N 3Å; F248-F251 VanDerWaalsContact O-N 3.09Å; F251-V254 HydrophobicContact CB-CG2 4Å; F251-V254 HydrophobicContact CD1-CG2 4.17Å; F251-L257 HydrophobicContact CD1-CD1 4.48Å; F251-L257 HydrophobicContact CE1-CD1 3.94Å
252Q86.2Confident92.3Very high57 Ų5738.1 Ų38.127%0.26620%0.196SC..SBendtrans-90.5-20.7-174.4-73.6-61.7-58.800115.8R190 F248 V249 V283R190-Q252 VanDerWaalsContact CG-O 3.3Å; R190-Q252 WeakPolarHBondContact CG-O 3.41Å; F248-Q252 VanDerWaalsContact CD2-NE2 3.3Å; F248-Q252 PolarHBondContact O-NE2 3.02Å; V249-Q252 WeakPolarHBondContact O-CG 3.48Å; Q252-V283 VanDerWaalsContact O-CG2 3.31Å; Q252-V283 WeakPolarHBondContact O-CG2 3.28Å
253N89.9Confident92.8Very high76 Ų7639.7 Ų39.741%0.40620%0.203SC..SBendtrans-148.167.2-173.9-166.750.4000109F188 N212F188-N253 WeakPolarHBondContact CB-OD1 3.45Å; F188-N253 VanDerWaalsContact CD1-CG 3.49Å; F188-N253 WeakPolarHBondContact CD1-OD1 3.4Å; F188-N253 VanDerWaalsContact CG-OD1 3.26Å; F188-N253 WeakPolarHBondContact CG-OD1 3.34Å; N212-N253 PolarHBondContact ND2-O 3.39Å
254V94.8Very high93.1Very high0 Ų036.8 Ų36.80%019%0.188CC..EExtended strand (participates in β ladder)trans-98.9119.9-174-173.20000108.7F185 F188 V189 I191 I211 N212 F251 T256 L257F185-V254 HydrophobicContact CD2-CG1 4.39Å; F185-V254 HydrophobicContact CE2-CG1 4.19Å; F188-V254 CarbonylContact C-O 3.59Å; F188-V254 WeakPolarHBondContact CA-O 3.46Å; V189-V254 HydrophobicContact CG2-CB 4.11Å; V189-V254 WeakPolarHBondContact CG2-O 3.38Å; V189-V254 PolarHBondContact N-O 2.94Å; V189-V254 PolarHBondContact O-N 3.17Å; I191-V254 HydrophobicContact CD1-CB 4.11Å; I191-V254 HydrophobicContact CD1-CG1 3.82Å; I191-V254 HydrophobicContact CD1-CG2 4.2Å; I191-V254 HydrophobicContact CG1-CB 4.23Å; I191-V254 HydrophobicContact CG1-CG1 4.48Å; I191-V254 HydrophobicContact CG1-CG2 4.12Å; I211-V254 HydrophobicContact CB-CG1 4.24Å; I211-V254 HydrophobicContact CB-CG2 4.48Å; I211-V254 HydrophobicContact CD1-CG2 4.38Å; I211-V254 HydrophobicContact CG2-CG1 3.93Å; I211-V254 HydrophobicContact CG2-CG2 4.04Å; N212-V254 WeakPolarHBondContact OD1-CA 3.4Å; F251-V254 HydrophobicContact CB-CG2 4Å; F251-V254 HydrophobicContact CD1-CG2 4.17Å; V254-T256 WeakPolarHBondContact CG1-O 3.38Å; V254-L257 HydrophobicContact CG1-CB 4.25Å
255S94.1Very high93.3Very high35 Ų3537.5 Ų37.525%0.24519%0.191CC..EExtended strand (participates in β ladder)trans-99.8-32.6167.255.90000111.6F185 N212F185-S255 PolarHBondContact N-O 2.85Å; N212-S255 PolarHBondContact OD1-N 2.9Å; N212-S255 PolarHBondContact OD1-OG 2.85Å
256T97.7Very high93.5Very high12 Ų1236.4 Ų36.47%0.07419%0.191CC..EExtended strand (participates in β ladder)trans-135143.6177.160.70000109.8Y182 I183 T184 I211 N212 Q213 V254Y182-T256 HydrophobicContact CE1-CG2 4.24Å; Y182-T256 WeakPolarHBondContact OH-CG2 3.47Å; I183-T256 CarbonylContact O-C 3.6Å; I183-T256 WeakPolarHBondContact O-CA 3.43Å; T184-T256 HydrophobicContact CG2-CG2 4.28Å; I211-T256 CarbonylContact C-O 3.44Å; I211-T256 VanDerWaalsContact CA-O 3.3Å; I211-T256 WeakPolarHBondContact CA-O 3.24Å; N212-T256 WeakPolarHBondContact CA-OG1 3.05Å; N212-T256 PolarHBondContact N-O 2.58Å; N212-T256 PolarHBondContact N-OG1 2.85Å; Q213-T256 PolarHBondContact N-OG1 2.94Å; Q213-T256 PolarHBondContact O-OG1 2.91Å; V254-T256 WeakPolarHBondContact CG1-O 3.38Å
257L98.2Very high93.6Very high1 Ų140.3 Ų40.31%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-131121.6177.1174.673.1000108.4I183 F185 I191 L209 F210 I211 F251 V254 I259 F278I183-L257 HydrophobicContact CB-CB 4.39Å; I183-L257 WeakPolarHBondContact CB-O 3.36Å; I183-L257 PolarHBondContact N-O 2.66Å; I183-L257 PolarHBondContact O-N 2.83Å; F185-L257 HydrophobicContact CE2-CB 4.12Å; I191-L257 HydrophobicContact CD1-CB 4.37Å; I191-L257 HydrophobicContact CD1-CD2 3.9Å; L209-L257 HydrophobicContact CB-CD1 4.29Å; L209-L257 HydrophobicContact CD2-CD1 4.46Å; F210-L257 CarbonylContact O-C 3.57Å; F210-L257 WeakPolarHBondContact O-CA 3.49Å; I211-L257 HydrophobicContact CG2-CD1 3.78Å; F251-L257 HydrophobicContact CD1-CD1 4.48Å; F251-L257 HydrophobicContact CE1-CD1 3.94Å; V254-L257 HydrophobicContact CG1-CB 4.25Å; L257-I259 HydrophobicContact CD2-CD1 4.39Å; L257-I259 HydrophobicContact CD2-CG1 4.18Å; L257-I259 HydrophobicContact CG-CG1 4.24Å; L257-F278 HydrophobicContact CD2-CD1 3.76Å; L257-F278 HydrophobicContact CD2-CE1 3.34Å; L257-F278 HydrophobicContact CD2-CZ 4.21Å
258T98.5Very high94.1Very high0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-100.5126.8170.9-52.40000109.1I180 I181 Y182 L209 F210 Q213 P217I180-T258 HydrophobicContact CG2-CG2 3.69Å; I181-T258 CarbonylContact O-C 3.58Å; I181-T258 WeakPolarHBondContact O-CA 3.3Å; Y182-T258 VanDerWaalsContact CD2-OG1 3.31Å; Y182-T258 WeakPolarHBondContact CD2-OG1 3.23Å; L209-T258 WeakPolarHBondContact CA-O 2.94Å; F210-T258 PolarHBondContact N-O 2.84Å; F210-T258 PolarHBondContact O-N 3.2Å; Q213-T258 PolarHBondContact OE1-OG1 2.76Å; P217-T258 HydrophobicContact CG-CG2 3.73Å
259I98.6Very high94.9Very high0 Ų042.3 Ų42.30%024%0.235CC..EExtended strand (participates in β ladder)trans-108.4108.7173.4-56.6160.9000106.9I181 I183 I196 V207 L209 L257 V261 L276 F278I181-I259 HydrophobicContact CB-CB 4.2Å; I181-I259 HydrophobicContact CG2-CD1 4.48Å; I181-I259 PolarHBondContact N-O 2.86Å; I181-I259 PolarHBondContact O-N 2.73Å; I183-I259 HydrophobicContact CG1-CD1 4.48Å; I196-I259 HydrophobicContact CD1-CG2 4.34Å; V207-I259 HydrophobicContact CG1-CG2 3.34Å; L209-I259 HydrophobicContact CD2-CB 4.2Å; L209-I259 HydrophobicContact CD2-CG1 3.77Å; L209-I259 HydrophobicContact CD2-CG2 4.12Å; L257-I259 HydrophobicContact CD2-CD1 4.39Å; L257-I259 HydrophobicContact CD2-CG1 4.18Å; L257-I259 HydrophobicContact CG-CG1 4.24Å; I259-V261 HydrophobicContact CG2-CG2 4.5Å; I259-L276 HydrophobicContact CD1-CD1 3.86Å; I259-L276 HydrophobicContact CD1-CD2 4.28Å; I259-F278 HydrophobicContact CD1-CE1 3.76Å; I259-F278 HydrophobicContact CD1-CZ 3.65Å
260F98.7Very high95.9Very high0 Ų040.2 Ų40.20%022%0.218CC..EExtended strand (participates in β ladder)trans-96.9111.6171.7171.2-127.4000109.3Q178 L179 I180 V207 K208 F210 F219 C222 E223 K262Q178-F260 HydrophobicContact CB-CE2 4.19Å; Q178-F260 HydrophobicContact CG-CE2 4.48Å; L179-F260 CarbonylContact O-C 3.59Å; L179-F260 WeakPolarHBondContact O-CA 3.48Å; L179-F260 WeakPolarHBondContact O-CD2 3.37Å; I180-F260 HydrophobicContact CD1-CD2 4.46Å; I180-F260 HydrophobicContact CG1-CD2 3.73Å; I180-F260 HydrophobicContact CG1-CE2 4.44Å; V207-F260 CarbonylContact C-O 3.55Å; V207-F260 WeakPolarHBondContact CA-O 3.16Å; K208-F260 HydrophobicContact CB-CB 4.29Å; K208-F260 HydrophobicContact CB-CD1 4.15Å; K208-F260 HydrophobicContact CD-CD1 4.11Å; K208-F260 HydrophobicContact CG-CD1 4.32Å; K208-F260 PolarHBondContact N-O 2.86Å; K208-F260 PolarHBondContact O-N 3.39Å; F210-F260 HydrophobicContact CE2-CB 4.32Å; F219-F260 HydrophobicContact CD1-CD2 4.43Å; F219-F260 AromaticContact CD1-CE2 3.77Å; F219-F260 HydrophobicContact CD1-CE2 3.77Å; F219-F260 HydrophobicContact CE1-CE2 4.22Å; C222-F260 HydrophobicContact CB-CB 3.89Å; C222-F260 HydrophobicContact CB-CD1 3.53Å; C222-F260 HydrophobicContact CB-CD2 4.01Å; C222-F260 HydrophobicContact CB-CE1 3.99Å; C222-F260 HydrophobicContact CB-CE2 4.44Å; C222-F260 HydrophobicContact CB-CG 3.53Å; C222-F260 HydrophobicContact CB-CZ 4.42Å; E223-F260 VanDerWaalsContact OE2-CE1 3.28Å; E223-F260 WeakPolarHBondContact OE2-CE1 3.11Å; E223-F260 WeakPolarHBondContact OE2-CZ 3.26Å; F260-K262 HydrophobicContact CD1-CB 4.5Å; F260-K262 HydrophobicContact CE1-CB 3.98Å; F260-K262 HydrophobicContact CE1-CG 4.46Å; F260-K262 HydrophobicContact CZ-CB 4.25Å
261V98.7Very high96.3Very high0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-83.4114.7170.4-177.20000107.9Q178 L179 P204 V207 I259 N263 T271 I273Q178-V261 VanDerWaalsContact CA-O 3.27Å; Q178-V261 WeakPolarHBondContact CA-O 3.11Å; L179-V261 HydrophobicContact CB-CB 4.15Å; L179-V261 HydrophobicContact CB-CG2 4.2Å; L179-V261 PolarHBondContact N-O 3.48Å; L179-V261 PolarHBondContact O-N 3.49Å; P204-V261 HydrophobicContact CB-CG1 3.73Å; P204-V261 HydrophobicContact CB-CG2 4.11Å; P204-V261 HydrophobicContact CG-CG1 4.12Å; P204-V261 HydrophobicContact CG-CG2 4.03Å; V207-V261 HydrophobicContact CG2-CG2 4.37Å; I259-V261 HydrophobicContact CG2-CG2 4.5Å; V261-N263 WeakPolarHBondContact CG1-O 3.47Å; V261-T271 HydrophobicContact CG1-CG2 4.04Å; V261-I273 HydrophobicContact CG2-CD1 4.4Å
262K98.1Very high96.5Very high69 Ų6938.5 Ų38.530%0.321%0.209SC..  trans-86.5-36.1-178.6174.3169.7173.3159.20112.6T206 E223 F260T206-K262 HydrophobicContact CG2-CB 4.23Å; T206-K262 HydrophobicContact CG2-CD 4.28Å; T206-K262 PolarHBondContact O-N 3.29Å; E223-K262 VanDerWaalsContact OE1-CE 3.28Å; E223-K262 WeakPolarHBondContact OE1-CE 3.15Å; E223-K262 IonicContact OE1-NZ 3.64Å; E223-K262 PolarHBondContact OE1-NZ 3.18Å; F260-K262 HydrophobicContact CD1-CB 4.5Å; F260-K262 HydrophobicContact CE1-CB 3.98Å; F260-K262 HydrophobicContact CE1-CG 4.46Å; F260-K262 HydrophobicContact CZ-CB 4.25Å
263N98.1Very high97.1Very high39 Ų3935.8 Ų35.821%0.20920%0.196CC..  trans-159.1172.717960.732.3000110.9E177 K205 T206 V261E177-N263 HydrophobicContact CG-CB 4.48Å; K205-N263 WeakPolarHBondContact CB-OD1 3.42Å; K205-N263 PolarHBondContact N-O 3.44Å; T206-N263 VanDerWaalsContact CB-OD1 3.3Å; T206-N263 WeakPolarHBondContact CB-OD1 3.26Å; T206-N263 PolarHBondContact N-OD1 2.94Å; T206-N263 PolarHBondContact OG1-ND2 3.38Å; T206-N263 PolarHBondContact OG1-OD1 3.2Å; V261-N263 WeakPolarHBondContact CG1-O 3.47Å
264N98.3Very high97.3Very high0 Ų035 Ų350%019%0.192CC..BIsolated β-bridgetrans-112175.3176.257.346.6000112.8E177 A203 T266 S267 T268 Q270 T271E177-N264 VanDerWaalsContact CB-ND2 3.31Å; E177-N264 WeakPolarHBondContact CB-ND2 3.28Å; A203-N264 CarbonylContact O-C 3.6Å; A203-N264 WeakPolarHBondContact O-CA 3.5Å; A203-N264 WeakPolarHBondContact O-CB 3.46Å; N264-T266 PolarHBondContact O-N 2.8Å; N264-S267 WeakPolarHBondContact OD1-CA 3.43Å; N264-S267 PolarHBondContact OD1-N 3.29Å; N264-T268 PolarHBondContact ND2-O 3.31Å; N264-T268 PolarHBondContact ND2-OG1 2.93Å; N264-T268 VanDerWaalsContact ND2-OG1 3.07Å; N264-T268 PolarHBondContact OD1-N 2.67Å; N264-T268 PolarHBondContact OD1-OG1 2.86Å; N264-Q270 PolarHBondContact ND2-O 3.37Å; N264-T271 PolarHBondContact ND2-OG1 2.94Å
265Q97.8Very high97.3Very high31 Ų3137.8 Ų37.815%0.14520%0.204CC..THydrogen-bonded Turntrans-56-43.5-172.8-68.6-59.1-38.200114.2K200 A203 P204 L233 I238K200-Q265 VanDerWaalsContact O-CB 3.23Å; K200-Q265 WeakPolarHBondContact O-CB 3.39Å; A203-Q265 HydrophobicContact CB-CG 4.3Å; A203-Q265 WeakPolarHBondContact O-CG 3.47Å; A203-Q265 PolarHBondContact O-N 2.83Å; P204-Q265 PolarHBondContact O-NE2 2.89Å; L233-Q265 PolarHBondContact O-NE2 3.28Å; I238-Q265 HydrophobicContact CD1-CG 3.62Å
266T96.6Very high97.4Very high83 Ų8336.7 Ų36.751%0.50920%0.195SC..THydrogen-bonded Turntrans-116.214-17268.90000114.7E201 N264 T268E201-T266 WeakPolarHBondContact O-CB 3.35Å; E201-T266 WeakPolarHBondContact O-CG2 3.44Å; E201-T266 PolarHBondContact O-N 2.63Å; E201-T266 PolarHBondContact O-OG1 2.87Å; N264-T266 PolarHBondContact O-N 2.8Å; T266-T268 VanDerWaalsContact C-N 3.32Å; T266-T268 PolarHBondContact O-N 3.08Å; T266-T268 WeakPolarHBondContact OG1-CG2 3.46Å
267S95.4Very high97.2Very high95 Ų9537.8 Ų37.866%0.66420%0.199SC*.  trans57.140.9-179.2-56.80000113.5N264N264-S267 WeakPolarHBondContact OD1-CA 3.43Å; N264-S267 PolarHBondContact OD1-N 3.29Å
268T96.5Very high97.1Very high49 Ų4937.8 Ų37.830%0.30120%0.199SC..  trans-77.1160.6169.850.30000111.1N202 N264 T266 Q270N202-T268 WeakPolarHBondContact CB-OG1 3.34Å; N264-T268 PolarHBondContact ND2-O 3.31Å; N264-T268 PolarHBondContact ND2-OG1 2.93Å; N264-T268 VanDerWaalsContact ND2-OG1 3.07Å; N264-T268 PolarHBondContact OD1-N 2.67Å; N264-T268 PolarHBondContact OD1-OG1 2.86Å; T266-T268 VanDerWaalsContact C-N 3.32Å; T266-T268 PolarHBondContact O-N 3.08Å; T266-T268 WeakPolarHBondContact OG1-CG2 3.46Å; T268-Q270 PolarHBondContact O-N 3.03Å; T268-Q270 PolarHBondContact OG1-O 2.83Å; T268-Q270 VanDerWaalsContact OG1-O 3.11Å
269D97Very high96.8Very high132 Ų13239.2 Ų39.271%0.70620%0.204SC*.SBendtrans-68.8-16.3-176.6-56.3-23.6000114.5D176 E177D176-D269 CarbonylContact C-O 3.5Å; D176-D269 VanDerWaalsContact CA-O 3.24Å; D176-D269 WeakPolarHBondContact CA-O 3.48Å; E177-D269 PolarHBondContact N-O 2.84Å
270Q97.7Very high96.4Very high71 Ų7139.2 Ų39.233%0.33220%0.204SC..  trans-130.5149.8-179.4-68.6-175-4300110.6L172 S173 D174 N202 N264 T268L172-Q270 HydrophobicContact CD1-CB 4.27Å; S173-Q270 PolarHBondContact O-NE2 2.83Å; S173-Q270 WeakPolarHBondContact OG-CA 3.34Å; D174-Q270 PolarHBondContact O-NE2 3.03Å; N202-Q270 VanDerWaalsContact CB-O 3.26Å; N202-Q270 WeakPolarHBondContact CB-O 3.48Å; N202-Q270 PolarHBondContact ND2-O 2.85Å; N264-Q270 PolarHBondContact ND2-O 3.37Å; T268-Q270 PolarHBondContact O-N 3.03Å; T268-Q270 PolarHBondContact OG1-O 2.83Å; T268-Q270 VanDerWaalsContact OG1-O 3.11Å
271T98.5Very high95.8Very high0 Ų041.2 Ų41.20%021%0.212CC..  trans-109.1137.1172.8-68.80000110.1L172 S173 E177 L179 N202 P204 V261 N264 I273L172-T271 CarbonylContact C-O 3.53Å; L172-T271 WeakPolarHBondContact CA-O 3.42Å; S173-T271 PolarHBondContact N-O 3.43Å; S173-T271 PolarHBondContact OG-N 2.58Å; E177-T271 VanDerWaalsContact O-CB 3.28Å; E177-T271 WeakPolarHBondContact O-CB 3.09Å; E177-T271 PolarHBondContact O-OG1 2.61Å; L179-T271 HydrophobicContact CD1-CG2 4.15Å; N202-T271 CarbonylContact O-C 3.55Å; N202-T271 VanDerWaalsContact O-CA 3.26Å; N202-T271 WeakPolarHBondContact O-CA 3.31Å; P204-T271 HydrophobicContact CG-CG2 3.71Å; V261-T271 HydrophobicContact CG1-CG2 4.04Å; N264-T271 PolarHBondContact ND2-OG1 2.94Å; T271-I273 HydrophobicContact CG2-CG1 4.5Å
272R97.8Very high95.2Very high58 Ų5842.9 Ų42.922%0.21922%0.223CC..EExtended strand (participates in β ladder)trans-121.3133.7176179.3173.3157.2166.43.1111.9Y170 L171 L172 P199 N202 D274Y170-R272 VanDerWaalsContact CD1-CZ 3.42Å; Y170-R272 VanDerWaalsContact CD1-NH2 3.32Å; Y170-R272 HydrophobicContact CD2-CG 3.88Å; Y170-R272 HydrophobicContact CG-CG 4.18Å; L171-R272 CarbonylContact O-C 3.51Å; L171-R272 WeakPolarHBondContact O-CA 3.27Å; L172-R272 HydrophobicContact CD1-CB 3.89Å; L172-R272 HydrophobicContact CD1-CG 4.42Å; P199-R272 HydrophobicContact CG-CB 4.19Å; P199-R272 HydrophobicContact CG-CG 4.3Å; N202-R272 PolarHBondContact O-N 2.85Å; N202-R272 WeakPolarHBondContact OD1-CB 3.21Å; R272-D274 IonicContact CZ-OD1 2.7Å; R272-D274 IonicContact NE-OD1 2.66Å; R272-D274 PolarHBondContact NE-OD1 2.88Å; R272-D274 IonicContact NE-OD2 2.78Å; R272-D274 IonicContact NH2-OD1 3.71Å; R272-D274 PolarHBondContact NH2-OD1 2.95Å; R272-D274 IonicContact NH2-OD2 3.17Å
273I97.9Very high94.4Very high1 Ų140.3 Ų40.31%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-121.6115.1174.5-60.1175.1000109.1L158 Y170 L171 L179 I181 I196 N197 P204 V261 T271 L276L158-I273 HydrophobicContact CD2-CG2 4.11Å; Y170-I273 WeakPolarHBondContact CA-O 3.39Å; Y170-I273 WeakPolarHBondContact CB-O 3.46Å; L171-I273 HydrophobicContact CB-CB 4.32Å; L171-I273 HydrophobicContact CD2-CD1 4.33Å; L171-I273 PolarHBondContact N-O 2.81Å; L171-I273 PolarHBondContact O-N 2.92Å; L179-I273 HydrophobicContact CD1-CD1 4.39Å; I181-I273 HydrophobicContact CD1-CD1 3.66Å; I196-I273 HydrophobicContact CG2-CD1 4.1Å; I196-I273 HydrophobicContact CG2-CG1 4.3Å; I196-I273 HydrophobicContact CG2-CG2 4.33Å; N197-I273 CarbonylContact O-C 3.57Å; N197-I273 WeakPolarHBondContact O-CA 3.15Å; P204-I273 HydrophobicContact CG-CD1 3.74Å; P204-I273 HydrophobicContact CG-CG1 3.61Å; V261-I273 HydrophobicContact CG2-CD1 4.4Å; T271-I273 HydrophobicContact CG2-CG1 4.5Å; I273-L276 HydrophobicContact CG2-CB 4.24Å
274D95.2Very high92.9Very high58 Ų5844.4 Ų44.431%0.3124%0.235SC..SBendtrans-87.2-26.2179-72.5-22.7000112.7L158 Y170 N197 R272L158-D274 WeakPolarHBondContact CD1-O 3.04Å; Y170-D274 WeakPolarHBondContact CB-OD1 3.28Å; N197-D274 PolarHBondContact O-N 2.8Å; R272-D274 IonicContact CZ-OD1 2.7Å; R272-D274 IonicContact NE-OD1 2.66Å; R272-D274 PolarHBondContact NE-OD1 2.88Å; R272-D274 IonicContact NE-OD2 2.78Å; R272-D274 IonicContact NH2-OD1 3.71Å; R272-D274 PolarHBondContact NH2-OD1 2.95Å; R272-D274 IonicContact NH2-OD2 3.17Å
275K94.2Very high90.5Very high59 Ų5949.1 Ų49.126%0.25726%0.264SS..EExtended strand (participates in β ladder)trans-149.2128.2-179.1-166.9173.3-73173.20110.2Q195 I196 N197 D240 K277Q195-K275 HydrophobicContact CG-CD 4.28Å; Q195-K275 HydrophobicContact CG-CG 4.35Å; I196-K275 WeakPolarHBondContact CA-O 3.46Å; N197-K275 HydrophobicContact CB-CB 4.11Å; N197-K275 PolarHBondContact N-O 2.86Å; N197-K275 PolarHBondContact O-N 2.74Å; D240-K275 IonicContact OD1-NZ 3.26Å; D240-K275 PolarHBondContact OD1-NZ 3.32Å; K275-K277 HydrophobicContact CD-CD 4.48Å; K275-K277 HydrophobicContact CG-CD 4.48Å; K275-K277 HydrophobicContact CG-CG 4.24Å
276L96Very high87.8Confident12 Ų1253.3 Ų53.36%0.06329%0.286CS..EExtended strand (participates in β ladder)trans-128.2110.3173.8-178.662.4000109L155 L158 I181 I183 V194 Q195 I196 I259 I273 F278L155-L276 HydrophobicContact CD1-CD2 4.11Å; L158-L276 HydrophobicContact CD2-CB 3.89Å; I181-L276 HydrophobicContact CD1-CD2 4.37Å; I181-L276 HydrophobicContact CG2-CD2 3.89Å; I183-L276 HydrophobicContact CD1-CD2 4.28Å; V194-L276 HydrophobicContact CG2-CD1 4.25Å; Q195-L276 CarbonylContact O-C 3.52Å; Q195-L276 VanDerWaalsContact O-CA 3.28Å; Q195-L276 WeakPolarHBondContact O-CA 3.3Å; I196-L276 HydrophobicContact CG1-CD1 3.81Å; I259-L276 HydrophobicContact CD1-CD1 3.86Å; I259-L276 HydrophobicContact CD1-CD2 4.28Å; I273-L276 HydrophobicContact CG2-CB 4.24Å; L276-F278 HydrophobicContact CD1-CE1 4.33Å; L276-F278 HydrophobicContact CD1-CE2 4.43Å; L276-F278 HydrophobicContact CD1-CZ 3.8Å; L276-F278 HydrophobicContact CD2-CE2 4.34Å; L276-F278 HydrophobicContact CD2-CZ 4.06Å; L276-F278 HydrophobicContact CG-CE2 4.01Å; L276-F278 HydrophobicContact CG-CZ 3.82Å
277K94.5Very high85.1Confident35 Ų3553.7 Ų53.715%0.15229%0.285CS..EExtended strand (participates in β ladder)trans-133.9152.4177.1-66.2-173.1163.2-150.70111.8D134 E163 V194 Q195 K275 Y279D134-K277 WeakPolarHBondContact OD2-CD 3.3Å; D134-K277 WeakPolarHBondContact OD2-CE 3.47Å; D134-K277 IonicContact OD2-NZ 3.92Å; D134-K277 PolarHBondContact OD2-NZ 3.22Å; E163-K277 IonicContact OE1-NZ 3.69Å; E163-K277 PolarHBondContact OE1-NZ 3.25Å; V194-K277 CarbonylContact C-O 3.57Å; V194-K277 WeakPolarHBondContact CA-O 3.41Å; V194-K277 WeakPolarHBondContact CG2-O 3.33Å; Q195-K277 HydrophobicContact CB-CB 4.15Å; Q195-K277 PolarHBondContact N-O 3.12Å; Q195-K277 PolarHBondContact O-N 2.9Å; K275-K277 HydrophobicContact CD-CD 4.48Å; K275-K277 HydrophobicContact CG-CD 4.48Å; K275-K277 HydrophobicContact CG-CG 4.24Å; K277-Y279 HydrophobicContact CB-CE2 4.06Å; K277-Y279 WeakPolarHBondContact CD-OH 3.15Å
278F94.8Very high82.8Confident2 Ų257 Ų571%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-121.3134178.7-55-79.7000108.9M135 L139 I183 F185 V194 L257 I259 L276M135-F278 HydrophobicContact CB-CB 4.39Å; M135-F278 WeakPolarHBondContact CB-O 3.46Å; M135-F278 HydrophobicContact CE-CB 3.53Å; M135-F278 PolarHBondContact N-O 2.96Å; L139-F278 HydrophobicContact CD1-CD2 4.33Å; L139-F278 HydrophobicContact CD1-CE2 4.45Å; L139-F278 HydrophobicContact CD2-CD2 4.21Å; I183-F278 HydrophobicContact CB-CZ 4.45Å; I183-F278 HydrophobicContact CD1-CE2 4.13Å; I183-F278 HydrophobicContact CD1-CZ 4.23Å; I183-F278 HydrophobicContact CG1-CE2 3.93Å; I183-F278 HydrophobicContact CG1-CZ 3.68Å; I183-F278 HydrophobicContact CG2-CE2 4Å; I183-F278 HydrophobicContact CG2-CZ 4.35Å; F185-F278 HydrophobicContact CZ-CB 4.43Å; F185-F278 HydrophobicContact CZ-CD2 4.46Å; F185-F278 HydrophobicContact CZ-CG 4.24Å; V194-F278 HydrophobicContact CB-CD1 4.39Å; V194-F278 HydrophobicContact CG2-CD1 3.72Å; V194-F278 HydrophobicContact CG2-CE1 3.56Å; V194-F278 HydrophobicContact CG2-CZ 4.47Å; L257-F278 HydrophobicContact CD2-CD1 3.76Å; L257-F278 HydrophobicContact CD2-CE1 3.34Å; L257-F278 HydrophobicContact CD2-CZ 4.21Å; I259-F278 HydrophobicContact CD1-CE1 3.76Å; I259-F278 HydrophobicContact CD1-CZ 3.65Å; L276-F278 HydrophobicContact CD1-CE1 4.33Å; L276-F278 HydrophobicContact CD1-CE2 4.43Å; L276-F278 HydrophobicContact CD1-CZ 3.8Å; L276-F278 HydrophobicContact CD2-CE2 4.34Å; L276-F278 HydrophobicContact CD2-CZ 4.06Å; L276-F278 HydrophobicContact CG-CE2 4.01Å; L276-F278 HydrophobicContact CG-CZ 3.82Å
279Y92.3Very high80.7Confident29 Ų2961.9 Ų61.911%0.11432%0.316CS..EExtended strand (participates in β ladder)trans-121.2142.7174.9-48.5-93.8000112.5Q132 Y133 D134 Q192 S193 Q195 I243 K277Q132-Y279 HydrophobicContact CB-CD1 4.19Å; Q132-Y279 HydrophobicContact CB-CG 4.05Å; Y133-Y279 CarbonylContact O-C 3.53Å; Y133-Y279 VanDerWaalsContact O-CA 3.22Å; Y133-Y279 WeakPolarHBondContact O-CA 3.39Å; D134-Y279 HydrophobicContact CB-CD1 4.12Å; D134-Y279 HydrophobicContact CB-CE1 3.98Å; Q192-Y279 PolarHBondContact N-O 3.41Å; S193-Y279 PolarHBondContact N-O 2.7Å; S193-Y279 PolarHBondContact O-N 3.13Å; S193-Y279 WeakPolarHBondContact OG-CB 3.39Å; S193-Y279 WeakPolarHBondContact OG-CD2 3.24Å; Q195-Y279 HydrophobicContact CB-CE2 3.92Å; Q195-Y279 PolarHBondContact OE1-OH 2.92Å; I243-Y279 HydrophobicContact CD1-CE2 3.99Å; I243-Y279 HydrophobicContact CG1-CE2 4.21Å; K277-Y279 HydrophobicContact CB-CE2 4.06Å; K277-Y279 WeakPolarHBondContact CD-OH 3.15Å
280G90.6Very high78.2Confident0 Ų063.1 Ų63.10%032%0.318CS..EExtended strand (participates in β ladder)trans168.4-147.3-169.300000113.1Y133 M135 R190Y133-G280 WeakPolarHBondContact CB-O 3.47Å; Y133-G280 PolarHBondContact O-N 3.13Å; M135-G280 VanDerWaalsContact SD-CA 3.54Å; R190-G280 CarbonylContact O-C 3.38Å; R190-G280 WeakPolarHBondContact O-CA 3.31Å
281Y86.1Confident75.5Confident43 Ų4367.8 Ų67.817%0.16934%0.337CS..EExtended strand (participates in β ladder)trans-148147.6-178.2-58.8-90.4000110.9L113 K131 V189 R190 Q192L113-Y281 HydrophobicContact CB-CD1 4.28Å; K131-Y281 PolarHBondContact O-OH 3.06Å; V189-Y281 CarbonylContact C-O 3.53Å; V189-Y281 WeakPolarHBondContact CA-O 3.3Å; R190-Y281 PolarHBondContact N-O 2.9Å; R190-Y281 PolarHBondContact O-N 3.4Å; Q192-Y281 HydrophobicContact CG-CE2 4.38Å
282P86.3Confident73.1Confident34 Ų3476.7 Ų76.722%0.22138%0.376CS..EExtended strand (participates in β ladder)trans-65.1146.9168.230.8-36.4000111.9L138L138-P282 HydrophobicContact CD1-CB 4.1Å
283V81.2Confident70.8Confident15 Ų1585.4 Ų85.49%0.09141%0.409CS..  trans-88.3106.8168.9179.50000107.4F188 R190 Q252 T285F188-V283 HydrophobicContact CB-CB 3.83Å; F188-V283 HydrophobicContact CB-CG1 4.46Å; F188-V283 HydrophobicContact CB-CG2 4.08Å; F188-V283 WeakPolarHBondContact O-CB 3.43Å; F188-V283 PolarHBondContact O-N 3.24Å; R190-V283 HydrophobicContact CG-CG2 3.86Å; Q252-V283 VanDerWaalsContact O-CG2 3.31Å; Q252-V283 WeakPolarHBondContact O-CG2 3.28Å; V283-T285 PolarHBondContact O-N 3.11Å
284N66Low68.8Low126 Ų12692.1 Ų92.167%0.67445%0.45SS*.  trans-62.1105.4170.9-67.8-11.4000109.4
285T48.2Very low66.6Low99 Ų9994.7 Ų94.761%0.60747%0.472SS*.  trans-81.5121169.334.20000108.7V283 N287V283-T285 PolarHBondContact O-N 3.11Å; T285-N287 PolarHBondContact O-N 3.38Å
286I41.3Very low64.5Low119 Ų11995.5 Ų95.561%0.6150%0.497SS*.  trans-66.2116.6167.3-60.8172.7000106.2M288I286-M288 PolarHBondContact O-N 3.21Å
287N39Very low62.2Low90 Ų90105 Ų10548%0.48154%0.538SS..  trans-67.3105.7177.5-161.9-18.2000108.9T285 N289 E290T285-N287 PolarHBondContact O-N 3.38Å; N287-N289 PolarHBondContact O-N 3.07Å; N287-N289 PolarHBondContact OD1-N 2.6Å; N287-E290 HydrophobicContact CB-CG 4.4Å; N287-E290 PolarHBondContact O-N 3.34Å
288M47.3Very low60.1Low166 Ų166113.3 Ų113.382%0.81857%0.574SS**G310 helixtrans-62.4-14.1-178.1-71.6179.48000113I286 E290 F291I286-M288 PolarHBondContact O-N 3.21Å; M288-E290 VanDerWaalsContact C-N 3.27Å; M288-E290 PolarHBondContact O-N 3.21Å; M288-F291 PolarHBondContact O-N 2.77Å
289N52.9Low58.1Low151 Ų151116.7 Ų116.781%0.80761%0.609SS**G310 helixtrans-74.6-12.4173.7-68.6-20.7000113.9N287N287-N289 PolarHBondContact O-N 3.07Å; N287-N289 PolarHBondContact OD1-N 2.6Å
290E44.8Very low56.1Low157 Ų157124.3 Ų124.373%0.73465%0.646SS**G310 helixtrans-86.2-4.3174.9-69.6-170150.700113.5N287 M288 K292N287-E290 HydrophobicContact CB-CG 4.4Å; N287-E290 PolarHBondContact O-N 3.34Å; M288-E290 VanDerWaalsContact C-N 3.27Å; M288-E290 PolarHBondContact O-N 3.21Å; E290-K292 PolarHBondContact O-N 3.02Å
291F41.8Very low54Low170 Ų170129 Ų12975%0.74669%0.685SS**  trans-76.686.1173.8-108.2-88.1000111.4M288 R293M288-F291 PolarHBondContact O-N 2.77Å; F291-R293 PolarHBondContact O-N 2.93Å
292K46.3Very low52.5Low187 Ų187135.5 Ų135.581%0.81372%0.716SS**  trans-70.3112.6162.3-76.3-173.4178.6177.90109.2E290 V294E290-K292 PolarHBondContact O-N 3.02Å; K292-V294 PolarHBondContact O-N 2.82Å; K292-V294 VanDerWaalsContact O-N 3.09Å
293R50.8Low50.7Low241 Ų241141 Ų14191%0.90978%0.779SS**  trans-53.4114.8164.1-88.8-179169.1170.5-2.7108.5F291 S295F291-R293 PolarHBondContact O-N 2.93Å; R293-S295 PolarHBondContact O-N 2.66Å
294V55.4Low49.1Very low142 Ų142147.3 Ų147.386%0.86181%0.813SS**  trans-76.2107.1169.6-152.70000106.6K292 G296K292-V294 PolarHBondContact O-N 2.82Å; K292-V294 VanDerWaalsContact O-N 3.09Å; V294-G296 PolarHBondContact O-N 3.21Å; V294-G296 VanDerWaalsContact O-N 3.14Å
295S49.7Very low48.3Very low112 Ų112148.4 Ų148.478%0.78382%0.82SS**  trans-57.7115.7173.4-59.40000109.2R293 K297R293-S295 PolarHBondContact O-N 2.66Å; S295-K297 PolarHBondContact O-N 3.45Å
296G48.5Very low48.3Very low76 Ų76151.1 Ų151.178%0.78483%0.832SS**PPolyproline II helixtrans-57.6129.6178.700000111.4V294V294-G296 PolarHBondContact O-N 3.21Å; V294-G296 VanDerWaalsContact O-N 3.14Å
297K48.9Very low48.7Very low211 Ų211153 Ų15392%0.91785%0.845SS**PPolyproline II helixtrans-68137.1170-87.6-174175.8178.60109.8S295S295-K297 PolarHBondContact O-N 3.45Å
298K50.4Low49.3Very low210 Ų210156.9 Ų156.991%0.91387%0.868SS**PPolyproline II helixtrans-73.6124.7-176.6-158.9-178.7-171.2-177.30110.3
299G51.9Low49.4Very low72 Ų72156.3 Ų156.374%0.74287%0.871SS**  trans72.7104.2147.800000118.5
300E50.3Low49.2Very low190 Ų190156.7 Ų156.789%0.88888%0.876SS**  trans-12095140.8-78.3-178.9160.700106.9
301A47.2Very low49.5Very low99 Ų99156.7 Ų156.782%0.81889%0.887SS**  trans-97.9112.8160.400000106
302H53.7Low50.1Low179 Ų179155.6 Ų155.683%0.82990%0.899SS**  trans-110.7118.8161.4-86.5-64.4000107.3
303G48.6Very low50.5Low148 Ų148152.7 Ų152.7100%1.52691%0.906SS**  trans-76.10152.300000111.2

Retrieved 303 of 303 residues in 513.4 ms (Link to these results)

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