A0A077ZIE5_TRITR Loading...

Abhydrolase 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 250 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
1M81.4Confident96.1Very high122 Ų12271.9 Ų71.960%0.60137%0.373SS*.  0135.20-172.1167.773.100109.2A20 A52 A53 N55M1-A20 HydrophobicContact CE-CB 3.74Å; M1-A20 HydrophobicContact CG-CB 4.03Å; M1-A20 HydrophobicContact SD-CB 3.52Å; M1-A20 VanDerWaalsContact SD-CB 3.52Å; M1-A52 WeakPolarHBondContact CE-O 3.34Å; M1-A53 HydrophobicContact CE-CB 4.42Å; M1-A53 WeakPolarHBondContact CE-O 3.22Å; M1-N55 PolarHBondContact SD-OD1 2.86Å; M1-N55 VanDerWaalsContact SD-OD1 3.42Å
2K94.2Very high96Very high129 Ų12978.1 Ų78.156%0.56141%0.407SS*.  trans-89.4129.6177.3-178.9163.3158.4-136.50109.2E21K2-E21 HydrophobicContact CB-CB 4.31Å; K2-E21 WeakPolarHBondContact CD-OE2 3.34Å; K2-E21 VanDerWaalsContact CE-OE1 3.28Å; K2-E21 WeakPolarHBondContact CE-OE1 3.33Å; K2-E21 WeakPolarHBondContact CE-OE2 3.28Å; K2-E21 HydrophobicContact CG-CB 4.38Å; K2-E21 IonicContact NZ-OE1 2.65Å; K2-E21 PolarHBondContact NZ-OE1 3.33Å; K2-E21 IonicContact NZ-OE2 2.86Å; K2-E21 PolarHBondContact NZ-OE2 3.1Å; K2-E21 WeakPolarHBondContact O-CB 3.38Å; K2-E21 PolarHBondContact O-N 2.65Å
3V97.3Very high96.2Very high37 Ų3772.4 Ų72.422%0.22438%0.377CS..EExtended strand (participates in β ladder)trans-103135.5177.2171.50000108.8V18 V19 R49 A52 A53V3-V18 HydrophobicContact CG1-CG1 3.39Å; V3-V19 WeakPolarHBondContact CA-O 3.15Å; V3-R49 HydrophobicContact CG1-CG 4.26Å; V3-A52 HydrophobicContact CG1-CB 3.82Å; V3-A52 HydrophobicContact CG2-CB 4.14Å; V3-A53 HydrophobicContact CG2-CB 4.37Å
4V98Very high96.4Very high27 Ų2768 Ų6816%0.16436%0.355CS..EExtended strand (participates in β ladder)trans-106.5150.5173.7-65.60000110.8V18 V19 E21 I24V4-V18 WeakPolarHBondContact O-CA 3.46Å; V4-V19 HydrophobicContact CG2-CG1 3.74Å; V4-V19 WeakPolarHBondContact CG2-O 3.4Å; V4-V19 PolarHBondContact N-O 3.12Å; V4-V19 PolarHBondContact O-N 2.87Å; V4-E21 HydrophobicContact CG1-CB 3.79Å; V4-E21 HydrophobicContact CG1-CG 3.79Å; V4-I24 HydrophobicContact CG2-CD1 3.86Å; V4-I24 HydrophobicContact CG2-CG1 3.85Å
5V98.6Very high96.5Very high53 Ų5363.5 Ų63.532%0.32133%0.332SS..EExtended strand (participates in β ladder)trans-119.5113.6176.1-176.40000107.5L16 V18 L45V5-L16 HydrophobicContact CG1-CB 4.1Å; V5-L16 HydrophobicContact CG1-CD1 4.09Å; V5-L16 HydrophobicContact CG1-CD2 4.03Å; V5-L16 HydrophobicContact CG1-CG 4.29Å; V5-V18 HydrophobicContact CG1-CG2 4.47Å; V5-V18 HydrophobicContact CG2-CG1 4.32Å; V5-L45 HydrophobicContact CG1-CD1 4.07Å; V5-L45 HydrophobicContact CG2-CD1 3.86Å; V5-L45 HydrophobicContact CG2-CD2 4.48Å
6R98.3Very high96.7Very high82 Ų8259.8 Ų59.831%0.30931%0.312SS..EExtended strand (participates in β ladder)trans-106.1118180-60.7177.168.4-159.411108.9E17R6-E17 HydrophobicContact CB-CB 4.22Å; R6-E17 WeakPolarHBondContact CD-OE2 3.23Å; R6-E17 IonicContact CZ-OE2 3.43Å; R6-E17 PolarHBondContact N-O 3.42Å; R6-E17 IonicContact NE-OE2 3.62Å; R6-E17 IonicContact NH1-OE1 3.57Å; R6-E17 IonicContact NH1-OE2 2.74Å; R6-E17 PolarHBondContact NH1-OE2 2.77Å; R6-E17 PolarHBondContact O-N 2.82Å
7K98.4Very high96.8Very high157 Ų15756.2 Ų56.268%0.68329%0.294SS*.EExtended strand (participates in β ladder)trans-72.4128.8169.1-67.1-171.5174.2-1660108.8L16K7-L16 HydrophobicContact CG-CD2 3.7Å
8R98Very high96.9Very high43 Ų4353.1 Ų53.116%0.16228%0.278CS..EExtended strand (participates in β ladder)trans-135.7157.4178.1-60.4-175.672138.6-1.3110.2P14 L15 E17 Y98R8-P14 WeakPolarHBondContact O-CA 3.28Å; R8-L15 HydrophobicContact CB-CD1 3.86Å; R8-L15 HydrophobicContact CB-CG 4.2Å; R8-L15 HydrophobicContact CG-CD1 4.4Å; R8-L15 PolarHBondContact N-O 2.86Å; R8-L15 PolarHBondContact O-N 2.85Å; R8-E17 WeakPolarHBondContact CD-OE2 3.49Å; R8-E17 HydrophobicContact CG-CB 4.47Å; R8-E17 IonicContact CZ-OE2 3.69Å; R8-E17 IonicContact NE-OE2 3.51Å; R8-E17 IonicContact NH1-OE1 2.99Å; R8-E17 IonicContact NH1-OE2 3.55Å; R8-E17 PolarHBondContact NH1-OE2 2.99Å; R8-Y98 PolarHBondContact NH2-OH 2.74Å; R8-Y98 VanDerWaalsContact NH2-OH 3.12Å
9T98.4Very high97Very high90 Ų9050.3 Ų50.355%0.55226%0.263SS*.EExtended strand (participates in β ladder)trans-123.4116.9163.7-50.90000107.2G11 I13T9-G11 WeakPolarHBondContact CG2-O 3.41Å; T9-I13 WeakPolarHBondContact CA-O 3.45Å
10V98.1Very high97Very high0 Ų047.8 Ų47.80%025%0.25CC..EExtended strand (participates in β ladder)trans-105.5110.6176.4178.80000107.4N12 I13 L15 F94 L95 Y98 F99V10-N12 PolarHBondContact O-N 3.2Å; V10-N12 VanDerWaalsContact O-N 3.12Å; V10-I13 PolarHBondContact N-O 3.09Å; V10-I13 VanDerWaalsContact O-CB 3.29Å; V10-I13 WeakPolarHBondContact O-CB 3.39Å; V10-I13 WeakPolarHBondContact O-CG1 3.44Å; V10-I13 PolarHBondContact O-N 3.39Å; V10-L15 HydrophobicContact CB-CD2 4.24Å; V10-L15 HydrophobicContact CG2-CD2 3.79Å; V10-L15 HydrophobicContact CG2-CG 4.5Å; V10-F94 HydrophobicContact CG1-CD1 4.36Å; V10-F94 HydrophobicContact CG1-CE1 3.75Å; V10-F94 HydrophobicContact CG1-CZ 4.25Å; V10-L95 HydrophobicContact CB-CD2 4.03Å; V10-L95 HydrophobicContact CG1-CD2 4.08Å; V10-Y98 HydrophobicContact CB-CD1 4.41Å; V10-Y98 HydrophobicContact CB-CE1 4.49Å; V10-Y98 HydrophobicContact CG1-CD1 3.66Å; V10-Y98 HydrophobicContact CG1-CD2 3.64Å; V10-Y98 HydrophobicContact CG1-CE1 4.09Å; V10-Y98 HydrophobicContact CG1-CE2 4.08Å; V10-Y98 HydrophobicContact CG1-CG 3.41Å; V10-Y98 VanDerWaalsContact CG1-CG 3.41Å; V10-Y98 HydrophobicContact CG2-CD1 3.78Å; V10-Y98 HydrophobicContact CG2-CE1 3.6Å; V10-Y98 HydrophobicContact CG2-CG 4.4Å; V10-F99 HydrophobicContact CG2-CE2 4.17Å
11G95.9Very high97.1Very high51 Ų5149.3 Ų49.353%0.52626%0.256SS..THydrogen-bonded Turntrans58.3-115.6-16500000110.7T9T9-G11 WeakPolarHBondContact CG2-O 3.41Å
12N95.2Very high97.8Very high146 Ų14648.8 Ų48.878%0.78126%0.255SS*.THydrogen-bonded Turntrans-106.422.4174.9-68.3-27.2000113V10 P14V10-N12 PolarHBondContact O-N 3.2Å; V10-N12 VanDerWaalsContact O-N 3.12Å; N12-P14 VanDerWaalsContact O-CD 3.3Å; N12-P14 WeakPolarHBondContact O-CD 3.21Å
13I98.6Very high97.9Very high4 Ų444.8 Ų44.82%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-11199.1-174-47.5167.6000109.5T9 V10 L15 P61 E91 F94 L95T9-I13 WeakPolarHBondContact CA-O 3.45Å; V10-I13 PolarHBondContact N-O 3.09Å; V10-I13 VanDerWaalsContact O-CB 3.29Å; V10-I13 WeakPolarHBondContact O-CB 3.39Å; V10-I13 WeakPolarHBondContact O-CG1 3.44Å; V10-I13 PolarHBondContact O-N 3.39Å; I13-L15 PolarHBondContact O-N 2.8Å; I13-P61 HydrophobicContact CG2-CB 3.88Å; I13-E91 HydrophobicContact CD1-CB 3.75Å; I13-E91 HydrophobicContact CD1-CG 3.62Å; I13-E91 HydrophobicContact CG1-CG 4.19Å; I13-F94 HydrophobicContact CD1-CD1 3.78Å; I13-F94 HydrophobicContact CD1-CE1 4.21Å; I13-L95 HydrophobicContact CD1-CD2 3.85Å; I13-L95 HydrophobicContact CD1-CG 4.06Å; I13-L95 HydrophobicContact CG2-CD2 4.41Å
14P98.7Very high97.9Very high11 Ų1144.4 Ų44.47%0.07123%0.234CC..EExtended strand (participates in β ladder)trans-64.5128.9167.5-1933.3000109.7R8 N12 D62 E68 R69R8-P14 WeakPolarHBondContact O-CA 3.28Å; N12-P14 VanDerWaalsContact O-CD 3.3Å; N12-P14 WeakPolarHBondContact O-CD 3.21Å; P14-D62 PolarHBondContact O-N 2.79Å; P14-E68 HydrophobicContact CB-CB 3.89Å; P14-E68 HydrophobicContact CB-CG 4.37Å; P14-E68 HydrophobicContact CG-CB 3.77Å; P14-R69 HydrophobicContact CG-CG 3.94Å
15L98.9Very high97.9Very high1 Ų152.1 Ų52.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-145.2160.3179.467.981.5000112.1R8 V10 I13 E17 L59 L60 P61 L95 F99R8-L15 HydrophobicContact CB-CD1 3.86Å; R8-L15 HydrophobicContact CB-CG 4.2Å; R8-L15 HydrophobicContact CG-CD1 4.4Å; R8-L15 PolarHBondContact N-O 2.86Å; R8-L15 PolarHBondContact O-N 2.85Å; V10-L15 HydrophobicContact CB-CD2 4.24Å; V10-L15 HydrophobicContact CG2-CD2 3.79Å; V10-L15 HydrophobicContact CG2-CG 4.5Å; I13-L15 PolarHBondContact O-N 2.8Å; L15-E17 HydrophobicContact CD1-CB 4.17Å; L15-L59 HydrophobicContact CD1-CD2 4.15Å; L15-L60 CarbonylContact C-O 3.58Å; L15-L60 VanDerWaalsContact CA-O 3.24Å; L15-L60 WeakPolarHBondContact CA-O 3.39Å; L15-L60 WeakPolarHBondContact CB-O 3.37Å; L15-P61 HydrophobicContact CB-CB 4.29Å; L15-L95 HydrophobicContact CD2-CD2 3.57Å; L15-F99 HydrophobicContact CD2-CE2 4.44Å
16L98.9Very high97.8Very high3 Ų353.9 Ų53.92%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-100.7122.8163.5-54.6178.8000108.8V5 K7 V18 K41 E42 L45 L59 L60V5-L16 HydrophobicContact CG1-CB 4.1Å; V5-L16 HydrophobicContact CG1-CD1 4.09Å; V5-L16 HydrophobicContact CG1-CD2 4.03Å; V5-L16 HydrophobicContact CG1-CG 4.29Å; K7-L16 HydrophobicContact CG-CD2 3.7Å; L16-V18 HydrophobicContact CB-CG2 4.28Å; L16-K41 HydrophobicContact CD1-CG 4.11Å; L16-K41 HydrophobicContact CD2-CD 4.3Å; L16-K41 HydrophobicContact CG-CD 3.83Å; L16-K41 HydrophobicContact CG-CG 3.9Å; L16-E42 HydrophobicContact CD1-CG 4.47Å; L16-L45 HydrophobicContact CD1-CD1 4.02Å; L16-L45 HydrophobicContact CD1-CD2 4.24Å; L16-L45 HydrophobicContact CD1-CG 4.49Å; L16-L59 WeakPolarHBondContact O-CA 3.45Å; L16-L60 HydrophobicContact CB-CB 4.16Å; L16-L60 HydrophobicContact CB-CD1 4.27Å; L16-L60 HydrophobicContact CB-CG 4.46Å; L16-L60 HydrophobicContact CD1-CD1 4.38Å; L16-L60 PolarHBondContact N-O 2.85Å; L16-L60 PolarHBondContact O-N 3.32Å
17E98.8Very high97.8Very high0 Ų053.3 Ų53.30%027%0.273CS..EExtended strand (participates in β ladder)trans-90.3118.2163.5170.2-175.2-145.600107.8R6 R8 L15 R57 V58 L59 F99R6-E17 HydrophobicContact CB-CB 4.22Å; R6-E17 WeakPolarHBondContact CD-OE2 3.23Å; R6-E17 IonicContact CZ-OE2 3.43Å; R6-E17 PolarHBondContact N-O 3.42Å; R6-E17 IonicContact NE-OE2 3.62Å; R6-E17 IonicContact NH1-OE1 3.57Å; R6-E17 IonicContact NH1-OE2 2.74Å; R6-E17 PolarHBondContact NH1-OE2 2.77Å; R6-E17 PolarHBondContact O-N 2.82Å; R8-E17 WeakPolarHBondContact CD-OE2 3.49Å; R8-E17 HydrophobicContact CG-CB 4.47Å; R8-E17 IonicContact CZ-OE2 3.69Å; R8-E17 IonicContact NE-OE2 3.51Å; R8-E17 IonicContact NH1-OE1 2.99Å; R8-E17 IonicContact NH1-OE2 3.55Å; R8-E17 PolarHBondContact NH1-OE2 2.99Å; L15-E17 HydrophobicContact CD1-CB 4.17Å; E17-R57 IonicContact OE1-CZ 3.67Å; E17-R57 IonicContact OE1-NH1 2.61Å; E17-R57 PolarHBondContact OE1-NH1 2.97Å; E17-V58 CarbonylContact C-O 3.59Å; E17-V58 WeakPolarHBondContact CA-O 3.43Å; E17-L59 HydrophobicContact CB-CD2 4.07Å; E17-L59 HydrophobicContact CG-CD2 4.25Å; E17-F99 HydrophobicContact CG-CE1 4.41Å; E17-F99 WeakPolarHBondContact OE1-CE1 3.32Å
18V98.8Very high97.8Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-114.8121.6-179.7-165.60000108.2V3 V4 V5 L16 L45 R49 A52 V58 L60V3-V18 HydrophobicContact CG1-CG1 3.39Å; V4-V18 WeakPolarHBondContact O-CA 3.46Å; V5-V18 HydrophobicContact CG1-CG2 4.47Å; V5-V18 HydrophobicContact CG2-CG1 4.32Å; L16-V18 HydrophobicContact CB-CG2 4.28Å; V18-L45 HydrophobicContact CG2-CD1 3.68Å; V18-R49 HydrophobicContact CG1-CG 4.16Å; V18-A52 HydrophobicContact CB-CB 4.31Å; V18-A52 HydrophobicContact CG1-CB 3.73Å; V18-V58 HydrophobicContact CB-CB 4.29Å; V18-V58 PolarHBondContact N-O 3.08Å; V18-V58 PolarHBondContact O-N 2.61Å; V18-L60 HydrophobicContact CG2-CD1 3.81Å; V18-L60 HydrophobicContact CG2-CG 4.26Å
19V98.5Very high97.8Very high0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-153157.2-172.5650000110.4V3 V4 I24 L28V3-V19 WeakPolarHBondContact CA-O 3.15Å; V4-V19 HydrophobicContact CG2-CG1 3.74Å; V4-V19 WeakPolarHBondContact CG2-O 3.4Å; V4-V19 PolarHBondContact N-O 3.12Å; V4-V19 PolarHBondContact O-N 2.87Å; V19-I24 HydrophobicContact CG1-CG1 3.95Å; V19-L28 HydrophobicContact CG2-CD1 3.69Å
20A97.7Very high97.8Very high0 Ų039.8 Ų39.80%021%0.208CC..EExtended strand (participates in β ladder)trans-60.6137.116900000110.8M1 D22 K23 I24M1-A20 HydrophobicContact CE-CB 3.74Å; M1-A20 HydrophobicContact CG-CB 4.03Å; M1-A20 HydrophobicContact SD-CB 3.52Å; M1-A20 VanDerWaalsContact SD-CB 3.52Å; A20-D22 VanDerWaalsContact C-N 3.29Å; A20-D22 WeakPolarHBondContact CB-OD1 3.09Å; A20-D22 PolarHBondContact O-N 3.4Å; A20-K23 HydrophobicContact CB-CB 4.21Å; A20-K23 HydrophobicContact CB-CD 4.41Å; A20-K23 HydrophobicContact CB-CG 4.28Å; A20-K23 PolarHBondContact O-N 2.93Å; A20-K23 VanDerWaalsContact O-N 3.09Å; A20-I24 PolarHBondContact O-N 3.49Å
21E97.6Very high97.8Very high80 Ų8039.8 Ų39.837%0.37421%0.208SC..G310 helixtrans-59.9-38.4-174.1-174.9167.3-120.900113K2 V4 K23 I24K2-E21 HydrophobicContact CB-CB 4.31Å; K2-E21 WeakPolarHBondContact CD-OE2 3.34Å; K2-E21 VanDerWaalsContact CE-OE1 3.28Å; K2-E21 WeakPolarHBondContact CE-OE1 3.33Å; K2-E21 WeakPolarHBondContact CE-OE2 3.28Å; K2-E21 HydrophobicContact CG-CB 4.38Å; K2-E21 IonicContact NZ-OE1 2.65Å; K2-E21 PolarHBondContact NZ-OE1 3.33Å; K2-E21 IonicContact NZ-OE2 2.86Å; K2-E21 PolarHBondContact NZ-OE2 3.1Å; K2-E21 WeakPolarHBondContact O-CB 3.38Å; K2-E21 PolarHBondContact O-N 2.65Å; V4-E21 HydrophobicContact CG1-CB 3.79Å; V4-E21 HydrophobicContact CG1-CG 3.79Å; E21-K23 VanDerWaalsContact C-N 3.3Å; E21-I24 VanDerWaalsContact O-CD1 3.23Å; E21-I24 WeakPolarHBondContact O-CD1 3.28Å; E21-I24 VanDerWaalsContact O-CG1 3.28Å; E21-I24 WeakPolarHBondContact O-CG1 3.15Å
22D96.9Very high98Very high110 Ų11037.3 Ų37.359%0.58818%0.183SC*.G310 helixtrans-76.6-14.5179.256.6-31.1000113.3A20A20-D22 VanDerWaalsContact C-N 3.29Å; A20-D22 WeakPolarHBondContact CB-OD1 3.09Å; A20-D22 PolarHBondContact O-N 3.4Å
23K96.8Very high98.2Very high45 Ų4530.4 Ų30.420%0.19615%0.146CC..G310 helixtrans-114.617.3-176-56.4-174.1172.1178.40114A20 E21 Y25 E26 L28 N55 R57A20-K23 HydrophobicContact CB-CB 4.21Å; A20-K23 HydrophobicContact CB-CD 4.41Å; A20-K23 HydrophobicContact CB-CG 4.28Å; A20-K23 PolarHBondContact O-N 2.93Å; A20-K23 VanDerWaalsContact O-N 3.09Å; E21-K23 VanDerWaalsContact C-N 3.3Å; K23-Y25 PolarHBondContact O-N 3.11Å; K23-Y25 VanDerWaalsContact O-N 3.1Å; K23-E26 HydrophobicContact CB-CB 4.3Å; K23-E26 HydrophobicContact CB-CG 4.49Å; K23-E26 PolarHBondContact O-N 2.9Å; K23-E26 VanDerWaalsContact O-N 3.12Å; K23-L28 HydrophobicContact CB-CD1 3.99Å; K23-L28 HydrophobicContact CD-CD2 4.09Å; K23-N55 PolarHBondContact NZ-OD1 2.76Å; K23-R57 PolarHBondContact O-NH2 2.87Å
24I97.4Very high98.2Very high29 Ų2930.3 Ų30.315%0.14915%0.146CC..THydrogen-bonded Turntrans-52-39.1-176.3-71.4168.1000112.1V4 V19 A20 E21 R57V4-I24 HydrophobicContact CG2-CD1 3.86Å; V4-I24 HydrophobicContact CG2-CG1 3.85Å; V19-I24 HydrophobicContact CG1-CG1 3.95Å; A20-I24 PolarHBondContact O-N 3.49Å; E21-I24 VanDerWaalsContact O-CD1 3.23Å; E21-I24 WeakPolarHBondContact O-CD1 3.28Å; E21-I24 VanDerWaalsContact O-CG1 3.28Å; E21-I24 WeakPolarHBondContact O-CG1 3.15Å; I24-R57 PolarHBondContact O-NH1 3.29Å; I24-R57 PolarHBondContact O-NH2 2.89Å
25Y97.1Very high98.2Very high190 Ų19029.9 Ų29.975%0.74514%0.143SC*.THydrogen-bonded Turntrans-104.58-175.2-56.3-69.2000114.2K23K23-Y25 PolarHBondContact O-N 3.11Å; K23-Y25 VanDerWaalsContact O-N 3.1Å
26E97.1Very high98.1Very high90 Ų9030.3 Ų30.342%0.42115%0.147SC..SBendtrans-93.4147.7179.8-65.5-177.6-166.700111.6K23 L28 R57K23-E26 HydrophobicContact CB-CB 4.3Å; K23-E26 HydrophobicContact CB-CG 4.49Å; K23-E26 PolarHBondContact O-N 2.9Å; K23-E26 VanDerWaalsContact O-N 3.12Å; E26-L28 PolarHBondContact O-N 3.12Å; E26-R57 PolarHBondContact O-NH2 3.29Å
27P97.6Very high98.1Very high70 Ų7033.6 Ų33.646%0.45516%0.16SC..  trans-69.3123.116928.4-32.7000110.3M106P27-M106 HydrophobicContact CB-CB 4.26Å
28L98.2Very high97.9Very high4 Ų439.7 Ų39.72%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-127.2164.7-179.3-62.6177.5000110.7V19 K23 E26 L30 R57 L104 V105 M106V19-L28 HydrophobicContact CG2-CD1 3.69Å; K23-L28 HydrophobicContact CB-CD1 3.99Å; K23-L28 HydrophobicContact CD-CD2 4.09Å; E26-L28 PolarHBondContact O-N 3.12Å; L28-L30 PolarHBondContact O-N 3.31Å; L28-R57 HydrophobicContact CB-CB 4.07Å; L28-R57 HydrophobicContact CD1-CB 4.33Å; L28-L104 PolarHBondContact N-O 3.41Å; L28-V105 WeakPolarHBondContact O-CA 3.46Å; L28-M106 PolarHBondContact O-N 3.23Å
29P98.4Very high97.7Very high1 Ų142 Ų421%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-62.4131.8165.8-7.121.5000108.4F56 R57 M106 K108 L244 I246P29-F56 HydrophobicContact CB-CD1 3.72Å; P29-F56 HydrophobicContact CB-CE1 3.9Å; P29-F56 HydrophobicContact CG-CD1 3.82Å; P29-F56 HydrophobicContact CG-CE1 3.86Å; P29-R57 PolarHBondContact O-N 3.34Å; P29-M106 HydrophobicContact CB-CG 4.5Å; P29-M106 HydrophobicContact CB-SD 4.3Å; P29-M106 WeakPolarHBondContact CD-SD 3.45Å; P29-M106 HydrophobicContact CG-CG 4.28Å; P29-M106 HydrophobicContact CG-SD 3.49Å; P29-M106 WeakPolarHBondContact CG-SD 3.47Å; P29-K108 WeakPolarHBondContact CA-O 3.41Å; P29-K108 HydrophobicContact CB-CB 3.85Å; P29-L244 HydrophobicContact CB-CD2 4.02Å; P29-L244 HydrophobicContact CB-CG 3.88Å; P29-I246 HydrophobicContact CG-CD1 4.41Å; P29-I246 HydrophobicContact CG-CG1 3.99Å
30L98.8Very high97.7Very high0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-92.3133.3-176.4-179.865.1000109.4L28 I32 R57 L59 V96 V105 K108 I109 G110L28-L30 PolarHBondContact O-N 3.31Å; L30-I32 HydrophobicContact CD2-CG1 4.43Å; L30-I32 HydrophobicContact CG-CG1 4.44Å; L30-R57 CarbonylContact C-O 3.56Å; L30-R57 WeakPolarHBondContact CA-O 3.29Å; L30-R57 HydrophobicContact CD1-CB 4.41Å; L30-R57 HydrophobicContact CD1-CG 4.22Å; L30-L59 HydrophobicContact CD1-CD1 3.77Å; L30-L59 HydrophobicContact CD1-CD2 4.45Å; L30-L59 HydrophobicContact CD1-CG 3.72Å; L30-L59 HydrophobicContact CD2-CD1 4.48Å; L30-V96 HydrophobicContact CD2-CG2 4.26Å; L30-V105 HydrophobicContact CB-CG1 3.85Å; L30-V105 HydrophobicContact CB-CG2 4.11Å; L30-V105 HydrophobicContact CD1-CG2 4.48Å; L30-V105 HydrophobicContact CD2-CG1 4.49Å; L30-V105 HydrophobicContact CD2-CG2 3.93Å; L30-V105 HydrophobicContact CG-CG2 4.41Å; L30-K108 PolarHBondContact N-O 2.84Å; L30-I109 CarbonylContact O-C 3.52Å; L30-I109 WeakPolarHBondContact O-CA 3.44Å; L30-G110 PolarHBondContact O-N 3.1Å
31I98.9Very high97.7Very high0 Ų042.8 Ų42.80%021%0.208CC..EExtended strand (participates in β ladder)trans-122.1123.4168.1-59.4175.1000109.2Y33 L51 F56 R57 V58 L59 G110 F240 L244I31-Y33 HydrophobicContact CG2-CD2 4.42Å; I31-L51 HydrophobicContact CD1-CD1 4.33Å; I31-L51 HydrophobicContact CD1-CD2 3.94Å; I31-L51 HydrophobicContact CG2-CD1 4.22Å; I31-F56 HydrophobicContact CD1-CB 3.93Å; I31-F56 HydrophobicContact CD1-CD1 4.03Å; I31-F56 HydrophobicContact CD1-CD2 3.67Å; I31-F56 HydrophobicContact CD1-CE1 4.48Å; I31-F56 HydrophobicContact CD1-CE2 4.19Å; I31-F56 HydrophobicContact CD1-CG 3.59Å; I31-F56 HydrophobicContact CG1-CB 4.37Å; I31-F56 HydrophobicContact CG1-CD1 4.48Å; I31-F56 HydrophobicContact CG1-CG 4.33Å; I31-R57 PolarHBondContact N-O 3.19Å; I31-V58 HydrophobicContact CB-CG1 4.47Å; I31-V58 CarbonylContact O-C 3.57Å; I31-V58 VanDerWaalsContact O-CA 3.28Å; I31-V58 WeakPolarHBondContact O-CA 3.45Å; I31-L59 PolarHBondContact O-N 3.07Å; I31-G110 VanDerWaalsContact CA-O 3.29Å; I31-G110 WeakPolarHBondContact CA-O 3.37Å; I31-F240 HydrophobicContact CD1-CB 4.07Å; I31-F240 HydrophobicContact CD1-CD1 3.67Å; I31-F240 HydrophobicContact CD1-CD2 4.39Å; I31-F240 HydrophobicContact CD1-CE1 4.17Å; I31-F240 HydrophobicContact CD1-CG 3.8Å; I31-F240 HydrophobicContact CG1-CD1 4.29Å; I31-F240 HydrophobicContact CG1-CE1 4.43Å; I31-F240 HydrophobicContact CG2-CE1 4.39Å; I31-F240 HydrophobicContact CG2-CZ 4.32Å; I31-L244 HydrophobicContact CD1-CD2 4.01Å; I31-L244 HydrophobicContact CG1-CD2 3.64Å
32I98.9Very high97.8Very high0 Ų042.7 Ų42.70%021%0.208CC..EExtended strand (participates in β ladder)trans-97.8119.7168-54.9-179.1000108.2L30 Y34 L59 P61 F92 L95 V96 G110 V111 G112L30-I32 HydrophobicContact CD2-CG1 4.43Å; L30-I32 HydrophobicContact CG-CG1 4.44Å; I32-Y34 HydrophobicContact CB-CE2 4.32Å; I32-Y34 HydrophobicContact CG2-CD2 4.33Å; I32-Y34 HydrophobicContact CG2-CE1 4.09Å; I32-Y34 HydrophobicContact CG2-CE2 3.65Å; I32-L59 WeakPolarHBondContact CA-O 3.27Å; I32-L59 HydrophobicContact CG1-CB 4.3Å; I32-L59 HydrophobicContact CG1-CD1 4.22Å; I32-P61 HydrophobicContact CG2-CG 4.1Å; I32-F92 HydrophobicContact CD1-CD2 3.81Å; I32-F92 HydrophobicContact CD1-CE2 3.97Å; I32-L95 HydrophobicContact CD1-CB 3.84Å; I32-L95 HydrophobicContact CD1-CD1 4.3Å; I32-L95 HydrophobicContact CG2-CD1 4.49Å; I32-V96 HydrophobicContact CD1-CG2 4.01Å; I32-G110 PolarHBondContact N-O 3.22Å; I32-V111 WeakPolarHBondContact O-CA 3.39Å; I32-G112 PolarHBondContact O-N 3.29Å
33Y98.9Very high97.8Very high0 Ų043.3 Ų43.30%021%0.211CC..EExtended strand (participates in β ladder)trans-121113.2-173.5-155.3-81.7000112.1I31 V44 Q47 L51 L59 G112 I114 I236 F240I31-Y33 HydrophobicContact CG2-CD2 4.42Å; Y33-V44 HydrophobicContact CD1-CB 4Å; Y33-V44 HydrophobicContact CD1-CG1 4.14Å; Y33-V44 HydrophobicContact CD1-CG2 4.44Å; Y33-V44 HydrophobicContact CE1-CB 4.31Å; Y33-V44 HydrophobicContact CE1-CG1 4.12Å; Y33-Q47 HydrophobicContact CD1-CG 4.41Å; Y33-Q47 HydrophobicContact CD2-CG 4.39Å; Y33-Q47 HydrophobicContact CE1-CB 4.32Å; Y33-Q47 HydrophobicContact CE1-CG 3.93Å; Y33-Q47 HydrophobicContact CE2-CG 3.91Å; Y33-L51 HydrophobicContact CD2-CD1 3.98Å; Y33-L51 HydrophobicContact CE2-CD1 4.44Å; Y33-L59 PolarHBondContact N-O 3.46Å; Y33-G112 CarbonylContact C-O 3.55Å; Y33-G112 VanDerWaalsContact CA-O 3.25Å; Y33-G112 WeakPolarHBondContact CA-O 3.49Å; Y33-I114 HydrophobicContact CE1-CD1 4.32Å; Y33-I114 HydrophobicContact CE1-CG1 4.05Å; Y33-I236 HydrophobicContact CE2-CG2 4.46Å; Y33-F240 HydrophobicContact CE2-CE2 4.48Å
34Y98.9Very high97.8Very high3 Ų341.5 Ų41.51%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-93.3139.2-170.9-62.4-86.2000112.8I32 P61 N88 G112 G113 I114 G117 T120 L124I32-Y34 HydrophobicContact CB-CE2 4.32Å; I32-Y34 HydrophobicContact CG2-CD2 4.33Å; I32-Y34 HydrophobicContact CG2-CE1 4.09Å; I32-Y34 HydrophobicContact CG2-CE2 3.65Å; Y34-P61 HydrophobicContact CD1-CG 3.88Å; Y34-P61 HydrophobicContact CE1-CG 3.78Å; Y34-N88 HydrophobicContact CD1-CB 4.16Å; Y34-N88 HydrophobicContact CE1-CB 3.75Å; Y34-G112 PolarHBondContact N-O 2.93Å; Y34-G113 WeakPolarHBondContact O-CA 3.32Å; Y34-I114 PolarHBondContact O-N 3.27Å; Y34-I114 VanDerWaalsContact O-N 3.1Å; Y34-G117 VanDerWaalsContact CB-CA 3.47Å; Y34-T120 HydrophobicContact CD1-CG2 4.29Å; Y34-T120 HydrophobicContact CD2-CG2 3.98Å; Y34-T120 HydrophobicContact CE1-CG2 4.26Å; Y34-T120 HydrophobicContact CE2-CG2 3.95Å; Y34-T120 HydrophobicContact CG-CG2 4.15Å; Y34-L124 HydrophobicContact CE2-CD1 3.73Å
35H98.6Very high97.9Very high2 Ų241.2 Ų41.21%0.00920%0.202CC..PPolyproline II helixtrans-84.1172.917869.370.4000113.1T39 K41 V44 P61 A63 H66 M116 G117H35-T39 PolarHBondContact ND1-OG1 2.8Å; H35-T39 VanDerWaalsContact ND1-OG1 3.08Å; H35-K41 PolarHBondContact CD2-N 3.36Å; H35-V44 HydrophobicContact CB-CG1 3.87Å; H35-V44 HydrophobicContact CB-CG2 4.05Å; H35-P61 PolarHBondContact CD2-O 3.24Å; H35-A63 PolarHBondContact NE2-N 2.81Å; H35-H66 VanDerWaalsContact CE1-CB 3.49Å; H35-H66 WeakPolarHBondContact CE1-CB 3.3Å; H35-H66 AromaticContact CE1-CD2 3.65Å; H35-H66 AromaticContact CE1-CG 3.54Å; H35-M116 WeakPolarHBondContact O-CE 3.33Å; H35-G117 PolarHBondContact O-N 3.21Å
36G98Very high97.9Very high10 Ų1035.8 Ų35.810%0.10319%0.189CC..PPolyproline II helixtrans-81.9169.8179.600000114.5T39 I114G36-T39 PolarHBondContact N-OG1 3.06Å; G36-T39 PolarHBondContact O-N 3.04Å; G36-T39 PolarHBondContact O-OG1 3.01Å; G36-I114 WeakPolarHBondContact CA-O 3.46Å
37W97.3Very high98Very high72 Ų7231.7 Ų31.727%0.27317%0.169SC..THydrogen-bonded Turntrans-59.6141.4179.2178.9-119.3000113.1T39 H66 T73 T80 F81 S84 M116W37-T39 PolarHBondContact O-N 2.7Å; W37-H66 AromaticContact CD2-NE2 3.94Å; W37-H66 AromaticContact CE3-CE1 3.26Å; W37-H66 AromaticContact CE3-NE2 3.23Å; W37-H66 AromaticContact CZ3-CE1 3.26Å; W37-H66 WeakPolarHBondContact CZ3-CE1 3.34Å; W37-H66 AromaticContact CZ3-NE2 3.62Å; W37-T73 HydrophobicContact CH2-CG2 4.32Å; W37-T73 HydrophobicContact CZ2-CG2 3.92Å; W37-T80 VanDerWaalsContact CH2-C 3.47Å; W37-T80 HydrophobicContact CH2-CG2 3.76Å; W37-T80 HydrophobicContact CZ3-CG2 4.5Å; W37-T80 WeakPolarHBondContact CZ3-O 3.42Å; W37-F81 HydrophobicContact CB-CD2 4.33Å; W37-F81 HydrophobicContact CB-CE2 4.39Å; W37-F81 HydrophobicContact CD2-CB 4.46Å; W37-F81 AromaticContact CD2-CD2 3.76Å; W37-F81 HydrophobicContact CD2-CD2 3.76Å; W37-F81 HydrophobicContact CE3-CB 4.29Å; W37-F81 AromaticContact CE3-CD2 3.74Å; W37-F81 HydrophobicContact CE3-CD2 3.74Å; W37-F81 HydrophobicContact CG-CD2 4.03Å; W37-F81 HydrophobicContact CH2-CB 4.08Å; W37-F81 HydrophobicContact CZ2-CB 4.21Å; W37-F81 VanDerWaalsContact CZ3-CA 3.44Å; W37-F81 HydrophobicContact CZ3-CB 4.1Å; W37-F81 HydrophobicContact CZ3-CD2 4.36Å; W37-S84 WeakPolarHBondContact CZ3-OG 3.24Å; W37-M116 HydrophobicContact CB-CB 4.2Å; W37-M116 HydrophobicContact CB-SD 4.41Å; W37-M116 HydrophobicContact CE3-SD 3.69Å; W37-M116 HydrophobicContact CZ3-SD 4.45Å
38Q94.6Very high98Very high128 Ų12828.3 Ų28.360%0.59815%0.148SC*.THydrogen-bonded Turntrans5424.4-176.1-71.9179.7-1.700115.8H66Q38-H66 VanDerWaalsContact CA-CD2 3.44Å; Q38-H66 WeakPolarHBondContact CA-CD2 3.27Å; Q38-H66 WeakPolarHBondContact CA-NE2 3.48Å; Q38-H66 PolarHBondContact N-CD2 3.32Å; Q38-H66 PolarHBondContact N-NE2 2.77Å
39T96.3Very high98Very high47 Ų4734.4 Ų34.429%0.28817%0.17SC..  trans-111.1-154.9174.470.20000112.8H35 G36 W37 L43 H66 G67H35-T39 PolarHBondContact ND1-OG1 2.8Å; H35-T39 VanDerWaalsContact ND1-OG1 3.08Å; G36-T39 PolarHBondContact N-OG1 3.06Å; G36-T39 PolarHBondContact O-N 3.04Å; G36-T39 PolarHBondContact O-OG1 3.01Å; W37-T39 PolarHBondContact O-N 2.7Å; T39-L43 HydrophobicContact CG2-CG 4.39Å; T39-H66 PolarHBondContact N-CD2 2.89Å; T39-H66 WeakPolarHBondContact O-CB 3.39Å; T39-H66 PolarHBondContact O-CD2 2.85Å; T39-G67 PolarHBondContact O-N 2.92Å
40A98Very high98Very high16 Ų1636.7 Ų36.713%0.13218%0.18CC..  trans-149.6162.9-179.400000109.4E42 L43 D62A40-E42 WeakPolarHBondContact CB-OE2 3.42Å; A40-E42 PolarHBondContact O-N 2.73Å; A40-E42 VanDerWaalsContact O-N 3.07Å; A40-L43 WeakPolarHBondContact O-CB 3.44Å; A40-L43 PolarHBondContact O-N 2.84Å; A40-D62 WeakPolarHBondContact CA-OD1 3.46Å
41K98.4Very high98Very high2 Ų236.7 Ų36.71%0.00918%0.18CC..G310 helixtrans-52.2-29.2179.263.3-164.9-179.2-57.10114.5L16 H35 L43 V44 L60 D62 E68L16-K41 HydrophobicContact CD1-CG 4.11Å; L16-K41 HydrophobicContact CD2-CD 4.3Å; L16-K41 HydrophobicContact CG-CD 3.83Å; L16-K41 HydrophobicContact CG-CG 3.9Å; H35-K41 PolarHBondContact CD2-N 3.36Å; K41-L43 PolarHBondContact O-N 2.93Å; K41-V44 VanDerWaalsContact O-CG2 3.22Å; K41-V44 WeakPolarHBondContact O-CG2 3.38Å; K41-V44 PolarHBondContact O-N 2.93Å; K41-L60 HydrophobicContact CB-CB 4.12Å; K41-L60 VanDerWaalsContact CB-O 3.26Å; K41-L60 WeakPolarHBondContact CB-O 3.38Å; K41-D62 WeakPolarHBondContact CB-OD1 3.36Å; K41-D62 HydrophobicContact CD-CB 4.39Å; K41-D62 WeakPolarHBondContact CD-OD2 3.25Å; K41-D62 WeakPolarHBondContact CG-OD1 3.28Å; K41-D62 PolarHBondContact N-OD1 3.03Å; K41-D62 IonicContact NZ-OD1 2.9Å; K41-D62 IonicContact NZ-OD2 3.83Å; K41-D62 PolarHBondContact NZ-OD2 3.22Å; K41-E68 WeakPolarHBondContact CE-OE1 3.45Å; K41-E68 IonicContact NZ-OE1 3.6Å; K41-E68 PolarHBondContact NZ-OE1 2.6Å
42E98.4Very high98Very high78 Ų7836.7 Ų36.736%0.36418%0.18SC..G310 helixtrans-63-27178-68.175.2-165.300112.9L16 A40 V44 L45L16-E42 HydrophobicContact CD1-CG 4.47Å; A40-E42 WeakPolarHBondContact CB-OE2 3.42Å; A40-E42 PolarHBondContact O-N 2.73Å; A40-E42 VanDerWaalsContact O-N 3.07Å; E42-V44 VanDerWaalsContact C-N 3.25Å; E42-V44 PolarHBondContact O-N 2.76Å; E42-L45 VanDerWaalsContact O-CB 3.25Å; E42-L45 WeakPolarHBondContact O-CB 3.49Å; E42-L45 PolarHBondContact O-N 3.46Å
43L96.9Very high97.9Very high123 Ų12339.1 Ų39.164%0.64420%0.201SC*.G310 helixtrans-69.3-23.7-179.1-87.7-77.5000112.8T39 A40 K41T39-L43 HydrophobicContact CG2-CG 4.39Å; A40-L43 WeakPolarHBondContact O-CB 3.44Å; A40-L43 PolarHBondContact O-N 2.84Å; K41-L43 PolarHBondContact O-N 2.93Å
44V97.9Very high97.8Very high6 Ų642.8 Ų42.84%0.03622%0.217CC..G310 helixtrans-101.75.5176.3-66.80000112.7Y33 H35 K41 E42 T46 Q47 G48 L60 I114Y33-V44 HydrophobicContact CD1-CB 4Å; Y33-V44 HydrophobicContact CD1-CG1 4.14Å; Y33-V44 HydrophobicContact CD1-CG2 4.44Å; Y33-V44 HydrophobicContact CE1-CB 4.31Å; Y33-V44 HydrophobicContact CE1-CG1 4.12Å; H35-V44 HydrophobicContact CB-CG1 3.87Å; H35-V44 HydrophobicContact CB-CG2 4.05Å; K41-V44 VanDerWaalsContact O-CG2 3.22Å; K41-V44 WeakPolarHBondContact O-CG2 3.38Å; K41-V44 PolarHBondContact O-N 2.93Å; E42-V44 VanDerWaalsContact C-N 3.25Å; E42-V44 PolarHBondContact O-N 2.76Å; V44-T46 VanDerWaalsContact C-N 3.29Å; V44-T46 PolarHBondContact O-N 2.91Å; V44-Q47 WeakPolarHBondContact O-CB 3.32Å; V44-Q47 PolarHBondContact O-N 3.25Å; V44-Q47 VanDerWaalsContact O-N 3.15Å; V44-G48 PolarHBondContact O-N 3.27Å; V44-L60 HydrophobicContact CG2-CB 4.22Å; V44-L60 HydrophobicContact CG2-CD1 4.26Å; V44-L60 HydrophobicContact CG2-CD2 3.97Å; V44-L60 HydrophobicContact CG2-CG 4.38Å; V44-I114 HydrophobicContact CG1-CD1 4.12Å
45L98.4Very high97.7Very high24 Ų2444.5 Ų44.513%0.12623%0.226CC..Hα-helixtrans-62.7-33.8-178.1-178.457.3000113.1V5 L16 V18 E42 Q47 G48 R49 L60V5-L45 HydrophobicContact CG1-CD1 4.07Å; V5-L45 HydrophobicContact CG2-CD1 3.86Å; V5-L45 HydrophobicContact CG2-CD2 4.48Å; L16-L45 HydrophobicContact CD1-CD1 4.02Å; L16-L45 HydrophobicContact CD1-CD2 4.24Å; L16-L45 HydrophobicContact CD1-CG 4.49Å; V18-L45 HydrophobicContact CG2-CD1 3.68Å; E42-L45 VanDerWaalsContact O-CB 3.25Å; E42-L45 WeakPolarHBondContact O-CB 3.49Å; E42-L45 PolarHBondContact O-N 3.46Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-Q47 PolarHBondContact O-N 3.39Å; L45-G48 PolarHBondContact O-N 3.03Å; L45-R49 HydrophobicContact CD1-CG 4.25Å; L45-R49 HydrophobicContact CG-CG 4.46Å; L45-R49 WeakPolarHBondContact O-CG 3.44Å; L45-R49 PolarHBondContact O-N 2.98Å; L45-L60 HydrophobicContact CB-CD1 4.3Å; L45-L60 HydrophobicContact CD1-CD1 3.93Å
46T97.8Very high97.7Very high76 Ų7644.5 Ų44.547%0.46623%0.226SC..Hα-helixtrans-60.7-44.7175.7-590000111.2V44 R49 K50 M233V44-T46 VanDerWaalsContact C-N 3.29Å; V44-T46 PolarHBondContact O-N 2.91Å; T46-R49 PolarHBondContact O-N 3.4Å; T46-K50 WeakPolarHBondContact O-CG 3.43Å; T46-K50 PolarHBondContact O-N 3.08Å; T46-M233 HydrophobicContact CG2-SD 3.94Å
47Q98.5Very high97.7Very high3 Ų344 Ų441%0.01422%0.221CC..Hα-helixtrans-64.2-45.8173.9-173.467.65100111Y33 V44 L45 R49 K50 L51 M233 T237Y33-Q47 HydrophobicContact CD1-CG 4.41Å; Y33-Q47 HydrophobicContact CD2-CG 4.39Å; Y33-Q47 HydrophobicContact CE1-CB 4.32Å; Y33-Q47 HydrophobicContact CE1-CG 3.93Å; Y33-Q47 HydrophobicContact CE2-CG 3.91Å; V44-Q47 WeakPolarHBondContact O-CB 3.32Å; V44-Q47 PolarHBondContact O-N 3.25Å; V44-Q47 VanDerWaalsContact O-N 3.15Å; L45-Q47 VanDerWaalsContact C-N 3.34Å; L45-Q47 PolarHBondContact O-N 3.39Å; Q47-R49 VanDerWaalsContact C-N 3.27Å; Q47-R49 PolarHBondContact O-N 2.9Å; Q47-K50 PolarHBondContact O-N 3.12Å; Q47-K50 VanDerWaalsContact O-N 3.09Å; Q47-L51 HydrophobicContact CG-CD1 4.04Å; Q47-L51 HydrophobicContact CG-CG 4.49Å; Q47-L51 WeakPolarHBondContact O-CG 3.44Å; Q47-L51 PolarHBondContact O-N 3.02Å; Q47-M233 PolarHBondContact NE2-O 3.46Å; Q47-M233 VanDerWaalsContact NE2-O 3.14Å; Q47-M233 VanDerWaalsContact OE1-CA 3.23Å; Q47-T237 PolarHBondContact NE2-OG1 3.21Å
48G98.6Very high97.8Very high0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-58.9-36.3178.800000113.4V44 L45 A52V44-G48 PolarHBondContact O-N 3.27Å; L45-G48 PolarHBondContact O-N 3.03Å; G48-A52 VanDerWaalsContact O-CB 3.28Å; G48-A52 WeakPolarHBondContact O-CB 3.49Å; G48-A52 PolarHBondContact O-N 2.97Å
49R98.5Very high98Very high131 Ų13134.5 Ų34.549%0.49418%0.179SC..Hα-helixtrans-67.6-40.6174-75.8176.1173.6162.1-1.3112.9V3 V18 L45 T46 Q47 A53V3-R49 HydrophobicContact CG1-CG 4.26Å; V18-R49 HydrophobicContact CG1-CG 4.16Å; L45-R49 HydrophobicContact CD1-CG 4.25Å; L45-R49 HydrophobicContact CG-CG 4.46Å; L45-R49 WeakPolarHBondContact O-CG 3.44Å; L45-R49 PolarHBondContact O-N 2.98Å; T46-R49 PolarHBondContact O-N 3.4Å; Q47-R49 VanDerWaalsContact C-N 3.27Å; Q47-R49 PolarHBondContact O-N 2.9Å; R49-A53 WeakPolarHBondContact O-CB 3.33Å; R49-A53 PolarHBondContact O-N 3.23Å
50K98.1Very high98.1Very high49 Ų4932.2 Ų32.221%0.21317%0.166CC..Hα-helixtrans-64.2-43.9176.9-70174.7177.4-74.40111.2T46 Q47 A53 M233 D234 T237T46-K50 WeakPolarHBondContact O-CG 3.43Å; T46-K50 PolarHBondContact O-N 3.08Å; Q47-K50 PolarHBondContact O-N 3.12Å; Q47-K50 VanDerWaalsContact O-N 3.09Å; K50-A53 WeakPolarHBondContact O-CB 3.33Å; K50-A53 PolarHBondContact O-N 2.68Å; K50-M233 HydrophobicContact CD-CB 3.87Å; K50-D234 WeakPolarHBondContact CE-OD1 3.24Å; K50-D234 IonicContact NZ-OD1 3.88Å; K50-D234 PolarHBondContact NZ-OD1 3.5Å; K50-D234 IonicContact NZ-OD2 3.23Å; K50-T237 HydrophobicContact CB-CG2 4.08Å; K50-T237 WeakPolarHBondContact CB-OG1 3.25Å; K50-T237 WeakPolarHBondContact O-CG2 3.48Å
51L98.5Very high98.1Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-63.8-48.2174.7-69.3169.9000111.8I31 Y33 Q47 A53 K54 F56 V58 T237 F240I31-L51 HydrophobicContact CD1-CD1 4.33Å; I31-L51 HydrophobicContact CD1-CD2 3.94Å; I31-L51 HydrophobicContact CG2-CD1 4.22Å; Y33-L51 HydrophobicContact CD2-CD1 3.98Å; Y33-L51 HydrophobicContact CE2-CD1 4.44Å; Q47-L51 HydrophobicContact CG-CD1 4.04Å; Q47-L51 HydrophobicContact CG-CG 4.49Å; Q47-L51 WeakPolarHBondContact O-CG 3.44Å; Q47-L51 PolarHBondContact O-N 3.02Å; L51-A53 PolarHBondContact O-N 3.45Å; L51-K54 WeakPolarHBondContact O-CA 3.47Å; L51-K54 WeakPolarHBondContact O-CB 3.26Å; L51-K54 PolarHBondContact O-N 3.24Å; L51-F56 HydrophobicContact CB-CD2 4.35Å; L51-F56 HydrophobicContact CD2-CD2 4.34Å; L51-F56 VanDerWaalsContact O-CD2 3.24Å; L51-F56 WeakPolarHBondContact O-CD2 3.28Å; L51-V58 HydrophobicContact CB-CG2 3.57Å; L51-V58 HydrophobicContact CD1-CG1 4.33Å; L51-V58 HydrophobicContact CD1-CG2 4.5Å; L51-T237 HydrophobicContact CD2-CG2 4.34Å; L51-F240 HydrophobicContact CD2-CB 3.84Å; L51-F240 HydrophobicContact CD2-CD2 3.62Å; L51-F240 HydrophobicContact CD2-CE2 4.46Å; L51-F240 HydrophobicContact CD2-CG 3.97Å
52A98.2Very high98.2Very high0 Ų031.4 Ų31.40%016%0.159CC..Hα-helixtrans-61.3-30.5176.300000112.6M1 V3 V18 G48 K54 N55 F56 V58M1-A52 WeakPolarHBondContact CE-O 3.34Å; V3-A52 HydrophobicContact CG1-CB 3.82Å; V3-A52 HydrophobicContact CG2-CB 4.14Å; V18-A52 HydrophobicContact CB-CB 4.31Å; V18-A52 HydrophobicContact CG1-CB 3.73Å; G48-A52 VanDerWaalsContact O-CB 3.28Å; G48-A52 WeakPolarHBondContact O-CB 3.49Å; G48-A52 PolarHBondContact O-N 2.97Å; A52-K54 PolarHBondContact O-N 2.98Å; A52-N55 PolarHBondContact O-N 3.48Å; A52-N55 VanDerWaalsContact O-N 3.1Å; A52-F56 WeakPolarHBondContact CA-O 3.4Å; A52-V58 HydrophobicContact CB-CG2 4.3Å
53A96.9Very high98.2Very high52 Ų5227.8 Ų27.843%0.4314%0.142SC..THydrogen-bonded Turntrans-65.1-15173.200000113.6M1 V3 R49 K50 L51M1-A53 HydrophobicContact CE-CB 4.42Å; M1-A53 WeakPolarHBondContact CE-O 3.22Å; V3-A53 HydrophobicContact CG2-CB 4.37Å; R49-A53 WeakPolarHBondContact O-CB 3.33Å; R49-A53 PolarHBondContact O-N 3.23Å; K50-A53 WeakPolarHBondContact O-CB 3.33Å; K50-A53 PolarHBondContact O-N 2.68Å; L51-A53 PolarHBondContact O-N 3.45Å
54K97.1Very high98.2Very high77 Ų7722.6 Ų22.634%0.33512%0.117SC..THydrogen-bonded Turntrans-100.923.6173.2-63.6-72.4-166.8151.40112.8L51 A52 F56 T237 E238 A241L51-K54 WeakPolarHBondContact O-CA 3.47Å; L51-K54 WeakPolarHBondContact O-CB 3.26Å; L51-K54 PolarHBondContact O-N 3.24Å; A52-K54 PolarHBondContact O-N 2.98Å; K54-F56 HydrophobicContact CB-CD2 3.92Å; K54-F56 HydrophobicContact CB-CE2 3.78Å; K54-F56 PolarHBondContact O-N 2.98Å; K54-T237 HydrophobicContact CG-CG2 3.61Å; K54-E238 WeakPolarHBondContact CE-OE2 3.5Å; K54-E238 IonicContact NZ-OE1 3.94Å; K54-E238 PolarHBondContact NZ-OE1 3.09Å; K54-E238 IonicContact NZ-OE2 2.76Å; K54-E238 PolarHBondContact NZ-OE2 2.89Å; K54-A241 HydrophobicContact CB-CB 4.42Å; K54-A241 HydrophobicContact CD-CB 4.11Å; K54-A241 HydrophobicContact CG-CB 4.24Å
55N96.7Very high98.2Very high39 Ų3924.1 Ų24.121%0.20913%0.125CC..THydrogen-bonded Turntrans67.327.2178.5-58-56.9000115.3M1 K23 A52M1-N55 PolarHBondContact SD-OD1 2.86Å; M1-N55 VanDerWaalsContact SD-OD1 3.42Å; K23-N55 PolarHBondContact NZ-OD1 2.76Å; A52-N55 PolarHBondContact O-N 3.48Å; A52-N55 VanDerWaalsContact O-N 3.1Å
56F98.2Very high98.2Very high1 Ų123.1 Ų23.10%0.00412%0.12CC..  trans-90.7148.2169.5-60.9-57.3000111.6P29 I31 L51 A52 K54 V58 F240 L244P29-F56 HydrophobicContact CB-CD1 3.72Å; P29-F56 HydrophobicContact CB-CE1 3.9Å; P29-F56 HydrophobicContact CG-CD1 3.82Å; P29-F56 HydrophobicContact CG-CE1 3.86Å; I31-F56 HydrophobicContact CD1-CB 3.93Å; I31-F56 HydrophobicContact CD1-CD1 4.03Å; I31-F56 HydrophobicContact CD1-CD2 3.67Å; I31-F56 HydrophobicContact CD1-CE1 4.48Å; I31-F56 HydrophobicContact CD1-CE2 4.19Å; I31-F56 HydrophobicContact CD1-CG 3.59Å; I31-F56 HydrophobicContact CG1-CB 4.37Å; I31-F56 HydrophobicContact CG1-CD1 4.48Å; I31-F56 HydrophobicContact CG1-CG 4.33Å; L51-F56 HydrophobicContact CB-CD2 4.35Å; L51-F56 HydrophobicContact CD2-CD2 4.34Å; L51-F56 VanDerWaalsContact O-CD2 3.24Å; L51-F56 WeakPolarHBondContact O-CD2 3.28Å; A52-F56 WeakPolarHBondContact CA-O 3.4Å; K54-F56 HydrophobicContact CB-CD2 3.92Å; K54-F56 HydrophobicContact CB-CE2 3.78Å; K54-F56 PolarHBondContact O-N 2.98Å; F56-V58 HydrophobicContact CB-CG2 4.01Å; F56-F240 HydrophobicContact CE2-CB 3.96Å; F56-F240 HydrophobicContact CZ-CB 4.28Å; F56-F240 WeakPolarHBondContact CZ-O 3.42Å; F56-L244 HydrophobicContact CD1-CD2 4.33Å; F56-L244 HydrophobicContact CE1-CB 3.95Å; F56-L244 HydrophobicContact CE1-CD2 4.05Å; F56-L244 HydrophobicContact CE1-CG 4.1Å; F56-L244 HydrophobicContact CZ-CB 4.14Å
57R98.5Very high98.2Very high0 Ų020.9 Ų20.90%011%0.111CC..EExtended strand (participates in β ladder)trans-88.6118.5159.9-176.8175.3-54.6-83.2-5.4107.7E17 K23 I24 E26 L28 P29 L30 I31 L104E17-R57 IonicContact OE1-CZ 3.67Å; E17-R57 IonicContact OE1-NH1 2.61Å; E17-R57 PolarHBondContact OE1-NH1 2.97Å; K23-R57 PolarHBondContact O-NH2 2.87Å; I24-R57 PolarHBondContact O-NH1 3.29Å; I24-R57 PolarHBondContact O-NH2 2.89Å; E26-R57 PolarHBondContact O-NH2 3.29Å; L28-R57 HydrophobicContact CB-CB 4.07Å; L28-R57 HydrophobicContact CD1-CB 4.33Å; P29-R57 PolarHBondContact O-N 3.34Å; L30-R57 CarbonylContact C-O 3.56Å; L30-R57 WeakPolarHBondContact CA-O 3.29Å; L30-R57 HydrophobicContact CD1-CB 4.41Å; L30-R57 HydrophobicContact CD1-CG 4.22Å; I31-R57 PolarHBondContact N-O 3.19Å; R57-L104 PolarHBondContact NE-O 3.26Å
58V98.9Very high98.2Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-113.9129.3-174.6-168.40000110.3E17 V18 I31 L51 A52 F56 L60E17-V58 CarbonylContact C-O 3.59Å; E17-V58 WeakPolarHBondContact CA-O 3.43Å; V18-V58 HydrophobicContact CB-CB 4.29Å; V18-V58 PolarHBondContact N-O 3.08Å; V18-V58 PolarHBondContact O-N 2.61Å; I31-V58 HydrophobicContact CB-CG1 4.47Å; I31-V58 CarbonylContact O-C 3.57Å; I31-V58 VanDerWaalsContact O-CA 3.28Å; I31-V58 WeakPolarHBondContact O-CA 3.45Å; L51-V58 HydrophobicContact CB-CG2 3.57Å; L51-V58 HydrophobicContact CD1-CG1 4.33Å; L51-V58 HydrophobicContact CD1-CG2 4.5Å; A52-V58 HydrophobicContact CB-CG2 4.3Å; F56-V58 HydrophobicContact CB-CG2 4.01Å; V58-L60 HydrophobicContact CG1-CD2 3.73Å; V58-L60 HydrophobicContact CG1-CG 4.46Å
59L98.9Very high98.1Very high0 Ų028.2 Ų28.20%014%0.144CC..EExtended strand (participates in β ladder)trans-108.7127.7174-52.3-177.8000109.8L15 L16 E17 L30 I31 I32 Y33 P61 F99L15-L59 HydrophobicContact CD1-CD2 4.15Å; L16-L59 WeakPolarHBondContact O-CA 3.45Å; E17-L59 HydrophobicContact CB-CD2 4.07Å; E17-L59 HydrophobicContact CG-CD2 4.25Å; L30-L59 HydrophobicContact CD1-CD1 3.77Å; L30-L59 HydrophobicContact CD1-CD2 4.45Å; L30-L59 HydrophobicContact CD1-CG 3.72Å; L30-L59 HydrophobicContact CD2-CD1 4.48Å; I31-L59 PolarHBondContact O-N 3.07Å; I32-L59 WeakPolarHBondContact CA-O 3.27Å; I32-L59 HydrophobicContact CG1-CB 4.3Å; I32-L59 HydrophobicContact CG1-CD1 4.22Å; Y33-L59 PolarHBondContact N-O 3.46Å; L59-P61 WeakPolarHBondContact O-CD 3.38Å; L59-F99 HydrophobicContact CD1-CD2 3.43Å; L59-F99 VanDerWaalsContact CD1-CD2 3.43Å; L59-F99 HydrophobicContact CD1-CE2 3.39Å; L59-F99 HydrophobicContact CD1-CG 4.09Å; L59-F99 HydrophobicContact CD1-CZ 4.02Å; L59-F99 HydrophobicContact CD2-CD1 4.38Å; L59-F99 HydrophobicContact CD2-CD2 4.26Å; L59-F99 HydrophobicContact CD2-CE1 3.74Å; L59-F99 HydrophobicContact CD2-CE2 3.6Å; L59-F99 HydrophobicContact CD2-CZ 3.3Å; L59-F99 HydrophobicContact CG-CD2 4.48Å; L59-F99 HydrophobicContact CG-CE2 4.15Å; L59-F99 HydrophobicContact CG-CZ 4.31Å
60L98.9Very high98Very high0 Ų029.9 Ų29.90%016%0.155CC..EExtended strand (participates in β ladder)trans-116.988.1177.2-46.4177.1000108.1L15 L16 V18 K41 V44 L45 V58L15-L60 CarbonylContact C-O 3.58Å; L15-L60 VanDerWaalsContact CA-O 3.24Å; L15-L60 WeakPolarHBondContact CA-O 3.39Å; L15-L60 WeakPolarHBondContact CB-O 3.37Å; L16-L60 HydrophobicContact CB-CB 4.16Å; L16-L60 HydrophobicContact CB-CD1 4.27Å; L16-L60 HydrophobicContact CB-CG 4.46Å; L16-L60 HydrophobicContact CD1-CD1 4.38Å; L16-L60 PolarHBondContact N-O 2.85Å; L16-L60 PolarHBondContact O-N 3.32Å; V18-L60 HydrophobicContact CG2-CD1 3.81Å; V18-L60 HydrophobicContact CG2-CG 4.26Å; K41-L60 HydrophobicContact CB-CB 4.12Å; K41-L60 VanDerWaalsContact CB-O 3.26Å; K41-L60 WeakPolarHBondContact CB-O 3.38Å; V44-L60 HydrophobicContact CG2-CB 4.22Å; V44-L60 HydrophobicContact CG2-CD1 4.26Å; V44-L60 HydrophobicContact CG2-CD2 3.97Å; V44-L60 HydrophobicContact CG2-CG 4.38Å; L45-L60 HydrophobicContact CB-CD1 4.3Å; L45-L60 HydrophobicContact CD1-CD1 3.93Å; V58-L60 HydrophobicContact CG1-CD2 3.73Å; V58-L60 HydrophobicContact CG1-CG 4.46Å
61P98.9Very high97.9Very high1 Ų131 Ų311%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-75.9141.9178.330.9-33.4000111I13 L15 I32 Y34 H35 L59 L95I13-P61 HydrophobicContact CG2-CB 3.88Å; L15-P61 HydrophobicContact CB-CB 4.29Å; I32-P61 HydrophobicContact CG2-CG 4.1Å; Y34-P61 HydrophobicContact CD1-CG 3.88Å; Y34-P61 HydrophobicContact CE1-CG 3.78Å; H35-P61 PolarHBondContact CD2-O 3.24Å; L59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-L95 HydrophobicContact CB-CD1 4.21Å; P61-L95 HydrophobicContact CG-CD1 4.27Å
62D98.8Very high97.6Very high0 Ų039.1 Ų39.10%020%0.201CC..PPolyproline II helixtrans-69.3126158.8-85.4-31.7000107.5P14 A40 K41 E68 R69P14-D62 PolarHBondContact O-N 2.79Å; A40-D62 WeakPolarHBondContact CA-OD1 3.46Å; K41-D62 WeakPolarHBondContact CB-OD1 3.36Å; K41-D62 HydrophobicContact CD-CB 4.39Å; K41-D62 WeakPolarHBondContact CD-OD2 3.25Å; K41-D62 WeakPolarHBondContact CG-OD1 3.28Å; K41-D62 PolarHBondContact N-OD1 3.03Å; K41-D62 IonicContact NZ-OD1 2.9Å; K41-D62 IonicContact NZ-OD2 3.83Å; K41-D62 PolarHBondContact NZ-OD2 3.22Å; D62-E68 PolarHBondContact OD2-N 2.89Å; D62-R69 PolarHBondContact O-NE 2.96Å; D62-R69 PolarHBondContact O-NH2 2.88Å
63A98.6Very high97.4Very high1 Ų141.6 Ų41.61%0.00822%0.216CC..PPolyproline II helixtrans-65.8163.2172.500000111.5H35 N65 H66 R69 N88 M116H35-A63 PolarHBondContact NE2-N 2.81Å; A63-N65 PolarHBondContact O-N 2.75Å; A63-H66 HydrophobicContact CB-CB 4.32Å; A63-H66 WeakPolarHBondContact O-CB 3.29Å; A63-H66 PolarHBondContact O-N 2.9Å; A63-R69 PolarHBondContact O-NE 3.3Å; A63-N88 WeakPolarHBondContact CB-OD1 3.49Å; A63-M116 HydrophobicContact CB-CE 3.8Å
64A98Very high97.3Very high14 Ų1441.2 Ų41.212%0.11621%0.21CC..THydrogen-bonded Turntrans-57.7144.7172.400000109.7H66 S84 T87A64-H66 PolarHBondContact O-N 3.22Å; A64-H66 PolarHBondContact O-ND1 3.25Å; A64-S84 WeakPolarHBondContact O-CB 3.23Å; A64-S84 PolarHBondContact O-OG 2.84Å; A64-T87 HydrophobicContact CB-CG2 3.71Å
65N97.5Very high97Very high39 Ų3945 Ų4521%0.20923%0.229CC..THydrogen-bonded Turntrans67.311-177-41.8-66.8000115.4A63 R69 T71 T80 S84A63-N65 PolarHBondContact O-N 2.75Å; N65-R69 CarbonylContact C-O 3.57Å; N65-R69 VanDerWaalsContact CA-O 3.26Å; N65-R69 WeakPolarHBondContact CA-O 3.22Å; N65-R69 PolarHBondContact N-O 3.17Å; N65-T71 PolarHBondContact OD1-OG1 2.64Å; N65-T80 HydrophobicContact CB-CG2 3.64Å; N65-T80 VanDerWaalsContact CG-CG2 3.44Å; N65-T80 WeakPolarHBondContact ND2-CG2 3.24Å; N65-S84 PolarHBondContact ND2-OG 3.28Å; N65-S84 VanDerWaalsContact ND2-OG 3.07Å
66H98Very high96.8Very high3 Ų346.1 Ų46.11%0.01424%0.235CC..SBendtrans-128.2162.8-176.9-65.788.8000112.7H35 W37 Q38 T39 A63 A64 E68 R69 K70H35-H66 VanDerWaalsContact CE1-CB 3.49Å; H35-H66 WeakPolarHBondContact CE1-CB 3.3Å; H35-H66 AromaticContact CE1-CD2 3.65Å; H35-H66 AromaticContact CE1-CG 3.54Å; W37-H66 AromaticContact CD2-NE2 3.94Å; W37-H66 AromaticContact CE3-CE1 3.26Å; W37-H66 AromaticContact CE3-NE2 3.23Å; W37-H66 AromaticContact CZ3-CE1 3.26Å; W37-H66 WeakPolarHBondContact CZ3-CE1 3.34Å; W37-H66 AromaticContact CZ3-NE2 3.62Å; Q38-H66 VanDerWaalsContact CA-CD2 3.44Å; Q38-H66 WeakPolarHBondContact CA-CD2 3.27Å; Q38-H66 WeakPolarHBondContact CA-NE2 3.48Å; Q38-H66 PolarHBondContact N-CD2 3.32Å; Q38-H66 PolarHBondContact N-NE2 2.77Å; T39-H66 PolarHBondContact N-CD2 2.89Å; T39-H66 WeakPolarHBondContact O-CB 3.39Å; T39-H66 PolarHBondContact O-CD2 2.85Å; A63-H66 HydrophobicContact CB-CB 4.32Å; A63-H66 WeakPolarHBondContact O-CB 3.29Å; A63-H66 PolarHBondContact O-N 2.9Å; A64-H66 PolarHBondContact O-N 3.22Å; A64-H66 PolarHBondContact O-ND1 3.25Å; H66-E68 PolarHBondContact O-N 3.23Å; H66-R69 CarbonylContact O-C 3.56Å; H66-R69 VanDerWaalsContact O-C 3.31Å; H66-R69 VanDerWaalsContact O-CA 3.25Å; H66-R69 WeakPolarHBondContact O-CA 3.4Å; H66-R69 WeakPolarHBondContact O-CB 3.47Å; H66-R69 PolarHBondContact O-N 2.93Å; H66-K70 PolarHBondContact O-N 3.28Å
67G97.9Very high96.4Very high28 Ų2847.3 Ų47.329%0.28924%0.242SC..G310 helixtrans46.6-122.4177.200000113.7T39 R69 K70T39-G67 PolarHBondContact O-N 2.92Å; G67-R69 PolarHBondContact O-N 3.25Å; G67-K70 VanDerWaalsContact O-CB 3.27Å; G67-K70 WeakPolarHBondContact O-CB 3.43Å; G67-K70 PolarHBondContact O-N 2.69Å
68E98.1Very high96Very high114 Ų11448.1 Ų48.153%0.53325%0.248SC..G310 helixtrans-70.5-15178.3-69178.3-132.800113.4P14 K41 D62 H66P14-E68 HydrophobicContact CB-CB 3.89Å; P14-E68 HydrophobicContact CB-CG 4.37Å; P14-E68 HydrophobicContact CG-CB 3.77Å; K41-E68 WeakPolarHBondContact CE-OE1 3.45Å; K41-E68 IonicContact NZ-OE1 3.6Å; K41-E68 PolarHBondContact NZ-OE1 2.6Å; D62-E68 PolarHBondContact OD2-N 2.89Å; H66-E68 PolarHBondContact O-N 3.23Å
69R97.7Very high95.9Very high43 Ų4351.5 Ų51.516%0.16227%0.266CS..G310 helixtrans-98.814.9176.3-51.2-162.4-77.6177.5-3.3112.9P14 D62 A63 N65 H66 G67 T71 E91P14-R69 HydrophobicContact CG-CG 3.94Å; D62-R69 PolarHBondContact O-NE 2.96Å; D62-R69 PolarHBondContact O-NH2 2.88Å; A63-R69 PolarHBondContact O-NE 3.3Å; N65-R69 CarbonylContact C-O 3.57Å; N65-R69 VanDerWaalsContact CA-O 3.26Å; N65-R69 WeakPolarHBondContact CA-O 3.22Å; N65-R69 PolarHBondContact N-O 3.17Å; H66-R69 CarbonylContact O-C 3.56Å; H66-R69 VanDerWaalsContact O-C 3.31Å; H66-R69 VanDerWaalsContact O-CA 3.25Å; H66-R69 WeakPolarHBondContact O-CA 3.4Å; H66-R69 WeakPolarHBondContact O-CB 3.47Å; H66-R69 PolarHBondContact O-N 2.93Å; G67-R69 PolarHBondContact O-N 3.25Å; R69-T71 PolarHBondContact O-N 2.95Å; R69-E91 IonicContact CZ-OE1 3.75Å; R69-E91 IonicContact CZ-OE2 3.67Å; R69-E91 IonicContact NH1-OE1 2.76Å; R69-E91 PolarHBondContact NH1-OE1 3.05Å; R69-E91 IonicContact NH1-OE2 2.73Å; R69-E91 PolarHBondContact NH1-OE2 3.27Å; R69-E91 IonicContact NH2-OE1 3.84Å; R69-E91 IonicContact NH2-OE2 3.23Å; R69-E91 PolarHBondContact NH2-OE2 3.49Å
70K96.4Very high95.8Very high167 Ų16752 Ų5273%0.72627%0.269SS*.  trans-63.2128.7-173.5-174.6173.3-177.9174.80112.2H66 G67H66-K70 PolarHBondContact O-N 3.28Å; G67-K70 VanDerWaalsContact O-CB 3.27Å; G67-K70 WeakPolarHBondContact O-CB 3.43Å; G67-K70 PolarHBondContact O-N 2.69Å
71T94.1Very high95.7Very high73 Ų7352.6 Ų52.645%0.44827%0.272SS..  trans-126.8170.2174.860.30000109.7N65 R69 T73N65-T71 PolarHBondContact OD1-OG1 2.64Å; R69-T71 PolarHBondContact O-N 2.95Å; T71-T73 PolarHBondContact O-N 3.46Å
72K94.2Very high95.7Very high170 Ų17052.8 Ų52.874%0.73927%0.272SS*.PPolyproline II helixtrans-65.6123.2172.4-175-174.7173.1-167.40108.6E75K72-E75 IonicContact NZ-OE1 2.68Å; K72-E75 PolarHBondContact NZ-OE1 3.15Å
73T94Very high95.6Very high52 Ų5255.7 Ų55.732%0.31929%0.287SS..PPolyproline II helixtrans-63.9138.8173.2-50.80000110.4W37 T71 T80W37-T73 HydrophobicContact CH2-CG2 4.32Å; W37-T73 HydrophobicContact CZ2-CG2 3.92Å; T71-T73 PolarHBondContact O-N 3.46Å; T73-T80 HydrophobicContact CG2-CG2 4.24Å
74S93.3Very high95.6Very high43 Ų4355.6 Ų55.630%0.30129%0.287SS..PPolyproline II helixtrans-61.7145.2174.1-175.70000111.3I76 T80S74-I76 PolarHBondContact OG-N 3.48Å; S74-I76 VanDerWaalsContact OG-N 3.12Å; S74-T80 WeakPolarHBondContact CB-OG1 3.4Å; S74-T80 PolarHBondContact N-OG1 3.15Å
75E90.9Very high95.6Very high156 Ų15655 Ų5573%0.72928%0.282SS*.SBendtrans-76.7-12.8171.6-69.1166.9-158.800111.7K72 P77K72-E75 IonicContact NZ-OE1 2.68Å; K72-E75 PolarHBondContact NZ-OE1 3.15Å; E75-P77 WeakPolarHBondContact O-CD 3.4Å
76I92.3Very high95.7Very high63 Ų6356 Ų5632%0.32329%0.285SS..SBendtrans-75.9119.5171.9-57175.5000108.4S74 L79S74-I76 PolarHBondContact OG-N 3.48Å; S74-I76 VanDerWaalsContact OG-N 3.12Å; I76-L79 HydrophobicContact CB-CB 4.3Å; I76-L79 HydrophobicContact CB-CD2 4.44Å; I76-L79 HydrophobicContact CD1-CD2 4.36Å; I76-L79 HydrophobicContact CG2-CB 4.37Å; I76-L79 PolarHBondContact O-N 3.05Å
77P89.4Confident95.7Very high26 Ų2657.7 Ų57.717%0.16930%0.296CS..THydrogen-bonded Turntrans-53.5142.6-179.4-25.433.9000112E75 L79 I150 A154 F159 Y160 L161E75-P77 WeakPolarHBondContact O-CD 3.4Å; P77-L79 PolarHBondContact O-N 2.9Å; P77-I150 HydrophobicContact CB-CG2 4.31Å; P77-A154 HydrophobicContact CB-CB 4.09Å; P77-A154 HydrophobicContact CG-CB 3.91Å; P77-F159 HydrophobicContact CG-CB 3.61Å; P77-F159 HydrophobicContact CG-CG 4.14Å; P77-Y160 VanDerWaalsContact CD-O 3.23Å; P77-Y160 WeakPolarHBondContact CD-O 3.47Å; P77-L161 HydrophobicContact CB-CD2 4.18Å; P77-L161 HydrophobicContact CG-CD2 4.37Å
78S91.5Very high95.7Very high17 Ų1756.4 Ų56.412%0.11928%0.282CS..THydrogen-bonded Turntrans64.2-16.817880.10000118.1T80 F81 W82 Y165S78-T80 PolarHBondContact O-N 2.73Å; S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 3.44Å; S78-F81 VanDerWaalsContact O-N 3.09Å; S78-W82 VanDerWaalsContact CB-CD1 3.47Å; S78-W82 VanDerWaalsContact O-CD1 3.29Å; S78-W82 PolarHBondContact O-N 2.97Å; S78-Y165 VanDerWaalsContact OG-CE2 3.24Å; S78-Y165 WeakPolarHBondContact OG-CE2 3.41Å; S78-Y165 PolarHBondContact OG-OH 3.14Å
79L96.1Very high95.8Very high72 Ų7251.5 Ų51.538%0.37726%0.26SS..Hα-helixtrans-54.5-62.6-174.1177.160.4000111.4I76 P77 F81 W82 D83I76-L79 HydrophobicContact CB-CB 4.3Å; I76-L79 HydrophobicContact CB-CD2 4.44Å; I76-L79 HydrophobicContact CD1-CD2 4.36Å; I76-L79 HydrophobicContact CG2-CB 4.37Å; I76-L79 PolarHBondContact O-N 3.05Å; P77-L79 PolarHBondContact O-N 2.9Å; L79-F81 PolarHBondContact O-N 3.44Å; L79-F81 VanDerWaalsContact O-N 3.16Å; L79-W82 PolarHBondContact O-N 2.85Å; L79-D83 PolarHBondContact O-N 3.35Å
80T97Very high95.8Very high9 Ų958 Ų586%0.05529%0.285CS..Hα-helixtrans-64.2-25.9180-47.70000112.4W37 N65 T73 S74 S78 S84W37-T80 VanDerWaalsContact CH2-C 3.47Å; W37-T80 HydrophobicContact CH2-CG2 3.76Å; W37-T80 HydrophobicContact CZ3-CG2 4.5Å; W37-T80 WeakPolarHBondContact CZ3-O 3.42Å; N65-T80 HydrophobicContact CB-CG2 3.64Å; N65-T80 VanDerWaalsContact CG-CG2 3.44Å; N65-T80 WeakPolarHBondContact ND2-CG2 3.24Å; T73-T80 HydrophobicContact CG2-CG2 4.24Å; S74-T80 WeakPolarHBondContact CB-OG1 3.4Å; S74-T80 PolarHBondContact N-OG1 3.15Å; S78-T80 PolarHBondContact O-N 2.73Å; T80-S84 WeakPolarHBondContact O-CB 3.47Å; T80-S84 PolarHBondContact O-N 3.41Å; T80-S84 VanDerWaalsContact O-N 3.1Å; T80-S84 PolarHBondContact O-OG 2.98Å
81F97.6Very high95.9Very high14 Ų1451.4 Ų51.46%0.06126%0.257CS..Hα-helixtrans-67.7-51.6176.3172.1-98.8000111.3W37 S78 L79 S84 I85 M116 I119 Y146 I150W37-F81 HydrophobicContact CB-CD2 4.33Å; W37-F81 HydrophobicContact CB-CE2 4.39Å; W37-F81 HydrophobicContact CD2-CB 4.46Å; W37-F81 AromaticContact CD2-CD2 3.76Å; W37-F81 HydrophobicContact CD2-CD2 3.76Å; W37-F81 HydrophobicContact CE3-CB 4.29Å; W37-F81 AromaticContact CE3-CD2 3.74Å; W37-F81 HydrophobicContact CE3-CD2 3.74Å; W37-F81 HydrophobicContact CG-CD2 4.03Å; W37-F81 HydrophobicContact CH2-CB 4.08Å; W37-F81 HydrophobicContact CZ2-CB 4.21Å; W37-F81 VanDerWaalsContact CZ3-CA 3.44Å; W37-F81 HydrophobicContact CZ3-CB 4.1Å; W37-F81 HydrophobicContact CZ3-CD2 4.36Å; S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 3.44Å; S78-F81 VanDerWaalsContact O-N 3.09Å; L79-F81 PolarHBondContact O-N 3.44Å; L79-F81 VanDerWaalsContact O-N 3.16Å; F81-S84 PolarHBondContact O-N 3.01Å; F81-I85 HydrophobicContact CD1-CD1 4.2Å; F81-I85 HydrophobicContact CE1-CD1 3.54Å; F81-I85 HydrophobicContact CE2-CD1 4.02Å; F81-I85 HydrophobicContact CZ-CD1 3.44Å; F81-I85 VanDerWaalsContact CZ-CD1 3.44Å; F81-I85 PolarHBondContact O-N 3Å; F81-I85 VanDerWaalsContact O-N 3.13Å; F81-M116 HydrophobicContact CD2-CG 4.36Å; F81-M116 HydrophobicContact CD2-SD 4.42Å; F81-M116 HydrophobicContact CE2-CB 3.98Å; F81-M116 HydrophobicContact CE2-CG 3.79Å; F81-M116 HydrophobicContact CE2-SD 4.41Å; F81-M116 HydrophobicContact CZ-CG 4.45Å; F81-I119 HydrophobicContact CZ-CD1 3.94Å; F81-Y146 HydrophobicContact CD1-CE1 4.48Å; F81-Y146 AromaticContact CE1-CD1 3.9Å; F81-Y146 HydrophobicContact CE1-CD1 3.9Å; F81-Y146 AromaticContact CE1-CE1 3.56Å; F81-Y146 HydrophobicContact CE1-CE1 3.56Å; F81-Y146 HydrophobicContact CE2-CE1 4.48Å; F81-Y146 HydrophobicContact CZ-CD1 4.17Å; F81-Y146 AromaticContact CZ-CE1 3.55Å; F81-Y146 HydrophobicContact CZ-CE1 3.55Å; F81-I150 HydrophobicContact CD1-CD1 4.39Å; F81-I150 HydrophobicContact CE1-CD1 4.46Å
82W97.8Very high96.1Very high5 Ų548 Ų482%0.01924%0.236CC..Hα-helixtrans-65.8-39.2177-70.1132.7000112S78 L79 S84 I85 Q86 M123 P143 Y146 R147 I150 Y165 W171 L172S78-W82 VanDerWaalsContact CB-CD1 3.47Å; S78-W82 VanDerWaalsContact O-CD1 3.29Å; S78-W82 PolarHBondContact O-N 2.97Å; L79-W82 PolarHBondContact O-N 2.85Å; W82-S84 VanDerWaalsContact C-N 3.26Å; W82-S84 PolarHBondContact O-N 3.31Å; W82-I85 HydrophobicContact CE3-CD1 3.92Å; W82-I85 HydrophobicContact CZ3-CD1 3.86Å; W82-I85 PolarHBondContact O-N 3.27Å; W82-Q86 WeakPolarHBondContact O-CB 3.37Å; W82-Q86 PolarHBondContact O-N 2.8Å; W82-M123 HydrophobicContact CE3-CE 4.44Å; W82-M123 HydrophobicContact CZ3-CE 3.78Å; W82-P143 HydrophobicContact CH2-CB 4.09Å; W82-P143 HydrophobicContact CZ3-CB 4.28Å; W82-Y146 AromaticContact CH2-CD1 3.95Å; W82-Y146 HydrophobicContact CH2-CD1 3.95Å; W82-Y146 HydrophobicContact CZ2-CD1 4.15Å; W82-R147 HydrophobicContact CZ2-CB 3.91Å; W82-I150 HydrophobicContact CZ2-CD1 4.06Å; W82-Y165 PolarHBondContact NE1-OH 3.44Å; W82-W171 HydrophobicContact CB-CZ2 4.07Å; W82-W171 HydrophobicContact CE3-CH2 4.44Å; W82-L172 HydrophobicContact CD2-CD1 4.25Å; W82-L172 HydrophobicContact CD2-CD2 4.16Å; W82-L172 HydrophobicContact CE3-CD1 4.4Å; W82-L172 HydrophobicContact CE3-CD2 3.63Å; W82-L172 HydrophobicContact CH2-CD1 4.03Å; W82-L172 HydrophobicContact CH2-CD2 4.13Å; W82-L172 HydrophobicContact CZ2-CD1 3.85Å; W82-L172 HydrophobicContact CZ3-CD1 4.31Å; W82-L172 HydrophobicContact CZ3-CD2 3.62Å
83D97.6Very high96.3Very high60 Ų6041.3 Ų41.332%0.32122%0.216SC..Hα-helixtrans-58-40.1174-65.3-14.8000111.6L79 T87L79-D83 PolarHBondContact O-N 3.35Å; D83-T87 WeakPolarHBondContact O-CB 3.33Å; D83-T87 PolarHBondContact O-N 3.06Å; D83-T87 PolarHBondContact O-OG1 2.67Å
84S98.3Very high96.5Very high0 Ų043.3 Ų43.30%022%0.22CC..Hα-helixtrans-69.2-42.3-179.6-56.10000111.7W37 A64 N65 T80 F81 W82 N88W37-S84 WeakPolarHBondContact CZ3-OG 3.24Å; A64-S84 WeakPolarHBondContact O-CB 3.23Å; A64-S84 PolarHBondContact O-OG 2.84Å; N65-S84 PolarHBondContact ND2-OG 3.28Å; N65-S84 VanDerWaalsContact ND2-OG 3.07Å; T80-S84 WeakPolarHBondContact O-CB 3.47Å; T80-S84 PolarHBondContact O-N 3.41Å; T80-S84 VanDerWaalsContact O-N 3.1Å; T80-S84 PolarHBondContact O-OG 2.98Å; F81-S84 PolarHBondContact O-N 3.01Å; W82-S84 VanDerWaalsContact C-N 3.26Å; W82-S84 PolarHBondContact O-N 3.31Å; S84-N88 VanDerWaalsContact O-CG 3.31Å; S84-N88 PolarHBondContact O-N 3.44Å; S84-N88 VanDerWaalsContact O-N 3.15Å; S84-N88 PolarHBondContact O-OD1 2.97Å
85I98.7Very high96.8Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-64.5-48.9174.4-71.4175.2000110.4F81 W82 T87 N88 L89 M116 I119 M123 W171F81-I85 HydrophobicContact CD1-CD1 4.2Å; F81-I85 HydrophobicContact CE1-CD1 3.54Å; F81-I85 HydrophobicContact CE2-CD1 4.02Å; F81-I85 HydrophobicContact CZ-CD1 3.44Å; F81-I85 VanDerWaalsContact CZ-CD1 3.44Å; F81-I85 PolarHBondContact O-N 3Å; F81-I85 VanDerWaalsContact O-N 3.13Å; W82-I85 HydrophobicContact CE3-CD1 3.92Å; W82-I85 HydrophobicContact CZ3-CD1 3.86Å; W82-I85 PolarHBondContact O-N 3.27Å; I85-T87 VanDerWaalsContact C-N 3.25Å; I85-T87 PolarHBondContact O-N 3.39Å; I85-N88 WeakPolarHBondContact O-CB 3.4Å; I85-N88 PolarHBondContact O-N 3.08Å; I85-L89 HydrophobicContact CG2-CD1 4.48Å; I85-L89 WeakPolarHBondContact O-CG 3.25Å; I85-L89 PolarHBondContact O-N 3.31Å; I85-L89 VanDerWaalsContact O-N 3.09Å; I85-M116 HydrophobicContact CD1-CG 3.92Å; I85-M116 HydrophobicContact CG1-CG 3.57Å; I85-M116 HydrophobicContact CG1-SD 4.26Å; I85-I119 HydrophobicContact CD1-CB 4.31Å; I85-I119 HydrophobicContact CD1-CG2 3.91Å; I85-M123 HydrophobicContact CG2-CE 4.02Å; I85-M123 HydrophobicContact CG2-SD 3.3Å; I85-M123 WeakPolarHBondContact CG2-SD 3.46Å; I85-W171 HydrophobicContact CG2-CH2 4.36Å
86Q98.5Very high97.2Very high60 Ų6034.2 Ų34.228%0.2817%0.174SC..Hα-helixtrans-58.8-40.5-179.6-167.7-176.624.300111.2W82 N88 L89 Y90 W171W82-Q86 WeakPolarHBondContact O-CB 3.37Å; W82-Q86 PolarHBondContact O-N 2.8Å; Q86-N88 PolarHBondContact O-N 2.84Å; Q86-L89 WeakPolarHBondContact O-CB 3.46Å; Q86-L89 PolarHBondContact O-N 2.73Å; Q86-L89 VanDerWaalsContact O-N 3.14Å; Q86-Y90 HydrophobicContact CG-CD2 4.1Å; Q86-Y90 HydrophobicContact CG-CE2 3.97Å; Q86-Y90 WeakPolarHBondContact O-CD2 3.18Å; Q86-Y90 PolarHBondContact O-N 3.01Å; Q86-W171 HydrophobicContact CB-CH2 3.84Å; Q86-W171 HydrophobicContact CB-CZ2 3.92Å; Q86-W171 HydrophobicContact CB-CZ3 4.46Å; Q86-W171 HydrophobicContact CG-CH2 4.29Å; Q86-W171 HydrophobicContact CG-CZ2 4.31Å
87T98.4Very high97.4Very high40 Ų4035 Ų3525%0.24518%0.179CC..Hα-helixtrans-62.4-41.8175.4-55.40000111.5A64 D83 I85 L89 Y90 E91A64-T87 HydrophobicContact CB-CG2 3.71Å; D83-T87 WeakPolarHBondContact O-CB 3.33Å; D83-T87 PolarHBondContact O-N 3.06Å; D83-T87 PolarHBondContact O-OG1 2.67Å; I85-T87 VanDerWaalsContact C-N 3.25Å; I85-T87 PolarHBondContact O-N 3.39Å; T87-L89 VanDerWaalsContact C-N 3.25Å; T87-L89 PolarHBondContact O-N 3.42Å; T87-Y90 PolarHBondContact O-N 3.42Å; T87-E91 VanDerWaalsContact CG2-CD 3.43Å; T87-E91 HydrophobicContact CG2-CG 4.05Å; T87-E91 VanDerWaalsContact CG2-OE1 3.27Å; T87-E91 WeakPolarHBondContact CG2-OE1 3.26Å; T87-E91 WeakPolarHBondContact O-CB 3.49Å; T87-E91 VanDerWaalsContact O-CG 3.24Å; T87-E91 WeakPolarHBondContact O-CG 3.39Å; T87-E91 PolarHBondContact O-N 3.21Å
88N98.8Very high97.9Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-58.9-37.8174.2-64.6-20.1000112.3Y34 A63 S84 I85 Q86 E91 F92 T120Y34-N88 HydrophobicContact CD1-CB 4.16Å; Y34-N88 HydrophobicContact CE1-CB 3.75Å; A63-N88 WeakPolarHBondContact CB-OD1 3.49Å; S84-N88 VanDerWaalsContact O-CG 3.31Å; S84-N88 PolarHBondContact O-N 3.44Å; S84-N88 VanDerWaalsContact O-N 3.15Å; S84-N88 PolarHBondContact O-OD1 2.97Å; I85-N88 WeakPolarHBondContact O-CB 3.4Å; I85-N88 PolarHBondContact O-N 3.08Å; Q86-N88 PolarHBondContact O-N 2.84Å; N88-E91 PolarHBondContact O-N 2.97Å; N88-F92 PolarHBondContact O-N 2.78Å; N88-T120 HydrophobicContact CB-CG2 3.61Å; N88-T120 PolarHBondContact ND2-OG1 3.08Å
89L98.8Very high98.2Very high11 Ų1136.5 Ų36.56%0.05818%0.179CC..Hα-helixtrans-65.7-43.6177.1-57.8175.9000111.6I85 Q86 T87 E91 T120 M123 L124 W171 Y175I85-L89 HydrophobicContact CG2-CD1 4.48Å; I85-L89 WeakPolarHBondContact O-CG 3.25Å; I85-L89 PolarHBondContact O-N 3.31Å; I85-L89 VanDerWaalsContact O-N 3.09Å; Q86-L89 WeakPolarHBondContact O-CB 3.46Å; Q86-L89 PolarHBondContact O-N 2.73Å; Q86-L89 VanDerWaalsContact O-N 3.14Å; T87-L89 VanDerWaalsContact C-N 3.25Å; T87-L89 PolarHBondContact O-N 3.42Å; L89-E91 VanDerWaalsContact C-N 3.31Å; L89-E91 PolarHBondContact O-N 3.33Å; L89-T120 HydrophobicContact CD2-CG2 4.4Å; L89-M123 HydrophobicContact CD1-CB 4.36Å; L89-M123 HydrophobicContact CD1-SD 3.94Å; L89-M123 HydrophobicContact CD2-CB 3.73Å; L89-L124 HydrophobicContact CD2-CD2 3.64Å; L89-L124 HydrophobicContact CD2-CG 3.8Å; L89-W171 HydrophobicContact CD1-CZ3 3.83Å; L89-Y175 HydrophobicContact CD1-CD1 3.72Å; L89-Y175 HydrophobicContact CD1-CD2 4.37Å; L89-Y175 HydrophobicContact CD1-CE1 3.8Å; L89-Y175 HydrophobicContact CD1-CE2 4.46Å; L89-Y175 HydrophobicContact CD1-CG 4.01Å; L89-Y175 HydrophobicContact CD2-CD1 4.37Å; L89-Y175 HydrophobicContact CD2-CE1 4.44Å; L89-Y175 HydrophobicContact CG-CE1 4.49Å
90Y98Very high98.3Very high179 Ų17937 Ų3770%0.70218%0.179SC*.Hα-helixtrans-62.4-38.5173.7-88.3-75.7000112.7Q86 T87Q86-Y90 HydrophobicContact CG-CD2 4.1Å; Q86-Y90 HydrophobicContact CG-CE2 3.97Å; Q86-Y90 WeakPolarHBondContact O-CD2 3.18Å; Q86-Y90 PolarHBondContact O-N 3.01Å; T87-Y90 PolarHBondContact O-N 3.42Å
91E98.7Very high98.3Very high30 Ų3042.3 Ų42.314%0.1421%0.207CC..Hα-helixtrans-84.1-20-171.6-72.2178.716700113.8I13 R69 T87 N88 L89 G93 F94 L95I13-E91 HydrophobicContact CD1-CB 3.75Å; I13-E91 HydrophobicContact CD1-CG 3.62Å; I13-E91 HydrophobicContact CG1-CG 4.19Å; R69-E91 IonicContact CZ-OE1 3.75Å; R69-E91 IonicContact CZ-OE2 3.67Å; R69-E91 IonicContact NH1-OE1 2.76Å; R69-E91 PolarHBondContact NH1-OE1 3.05Å; R69-E91 IonicContact NH1-OE2 2.73Å; R69-E91 PolarHBondContact NH1-OE2 3.27Å; R69-E91 IonicContact NH2-OE1 3.84Å; R69-E91 IonicContact NH2-OE2 3.23Å; R69-E91 PolarHBondContact NH2-OE2 3.49Å; T87-E91 VanDerWaalsContact CG2-CD 3.43Å; T87-E91 HydrophobicContact CG2-CG 4.05Å; T87-E91 VanDerWaalsContact CG2-OE1 3.27Å; T87-E91 WeakPolarHBondContact CG2-OE1 3.26Å; T87-E91 WeakPolarHBondContact O-CB 3.49Å; T87-E91 VanDerWaalsContact O-CG 3.24Å; T87-E91 WeakPolarHBondContact O-CG 3.39Å; T87-E91 PolarHBondContact O-N 3.21Å; N88-E91 PolarHBondContact O-N 2.97Å; L89-E91 VanDerWaalsContact C-N 3.31Å; L89-E91 PolarHBondContact O-N 3.33Å; E91-G93 PolarHBondContact O-N 3.05Å; E91-F94 PolarHBondContact O-N 3.5Å; E91-L95 WeakPolarHBondContact O-CG 3.17Å; E91-L95 PolarHBondContact O-N 3.39Å
92F98.9Very high98.3Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-54.2-57.2-179.1170-100.4000112.2I32 N88 F94 L95 V96 I109 V111 L124 H128 I131I32-F92 HydrophobicContact CD1-CD2 3.81Å; I32-F92 HydrophobicContact CD1-CE2 3.97Å; N88-F92 PolarHBondContact O-N 2.78Å; F92-F94 VanDerWaalsContact C-N 3.27Å; F92-F94 PolarHBondContact O-N 2.74Å; F92-L95 PolarHBondContact O-N 3.34Å; F92-V96 HydrophobicContact CD2-CG2 4.36Å; F92-V96 HydrophobicContact CE1-CG2 4.18Å; F92-V96 HydrophobicContact CE2-CG2 3.86Å; F92-V96 HydrophobicContact CZ-CG2 3.76Å; F92-V96 WeakPolarHBondContact O-CG2 3.47Å; F92-V96 PolarHBondContact O-N 3.29Å; F92-I109 HydrophobicContact CE2-CG2 4.28Å; F92-I109 HydrophobicContact CZ-CG2 4.04Å; F92-V111 HydrophobicContact CD2-CG1 4.06Å; F92-V111 HydrophobicContact CE2-CG1 3.4Å; F92-V111 HydrophobicContact CZ-CG1 4.17Å; F92-L124 HydrophobicContact CB-CD1 4.3Å; F92-L124 HydrophobicContact CB-CD2 3.56Å; F92-L124 HydrophobicContact CD1-CD2 3.91Å; F92-L124 HydrophobicContact CD2-CD1 3.83Å; F92-L124 HydrophobicContact CD2-CD2 4.25Å; F92-L124 HydrophobicContact CE2-CD1 4.44Å; F92-L124 HydrophobicContact CG-CD1 4.06Å; F92-L124 HydrophobicContact CG-CD2 3.62Å; F92-L124 HydrophobicContact CG-CG 4.47Å; F92-H128 HydrophobicContact CD1-CB 4.46Å; F92-H128 AromaticContact CD1-CD2 3.84Å; F92-H128 AromaticContact CD1-CE1 3.55Å; F92-H128 AromaticContact CD1-CG 3.66Å; F92-H128 AromaticContact CD1-ND1 3.48Å; F92-H128 WeakPolarHBondContact CD1-ND1 3.44Å; F92-H128 AromaticContact CD1-NE2 3.77Å; F92-H128 HydrophobicContact CE1-CB 3.86Å; F92-H128 AromaticContact CE1-CG 3.51Å; F92-H128 AromaticContact CE1-ND1 3.44Å; F92-H128 WeakPolarHBondContact CE1-ND1 3.48Å; F92-I131 HydrophobicContact CE1-CD1 4.21Å; F92-I131 HydrophobicContact CE1-CG1 4.23Å; F92-I131 HydrophobicContact CE2-CD1 4.29Å; F92-I131 HydrophobicContact CE2-CG1 4.33Å; F92-I131 HydrophobicContact CZ-CD1 3.79Å; F92-I131 HydrophobicContact CZ-CG1 3.6Å
93G98.1Very high98.3Very high31 Ų3147.4 Ų47.432%0.3225%0.246SC..Hα-helixtrans-62.6-34-178.500000112.8E91 V96 D97E91-G93 PolarHBondContact O-N 3.05Å; G93-V96 PolarHBondContact O-N 3.27Å; G93-D97 WeakPolarHBondContact O-CB 3.38Å; G93-D97 PolarHBondContact O-N 3.19Å
94F98.5Very high98.3Very high93 Ų9345.2 Ų45.241%0.40823%0.234SC..Hα-helixtrans-67.6-39.5176.4178.7-112.8000112.6V10 I13 E91 F92 Y98V10-F94 HydrophobicContact CG1-CD1 4.36Å; V10-F94 HydrophobicContact CG1-CE1 3.75Å; V10-F94 HydrophobicContact CG1-CZ 4.25Å; I13-F94 HydrophobicContact CD1-CD1 3.78Å; I13-F94 HydrophobicContact CD1-CE1 4.21Å; E91-F94 PolarHBondContact O-N 3.5Å; F92-F94 VanDerWaalsContact C-N 3.27Å; F92-F94 PolarHBondContact O-N 2.74Å; F94-Y98 VanDerWaalsContact O-CB 3.28Å; F94-Y98 WeakPolarHBondContact O-CB 3.24Å; F94-Y98 PolarHBondContact O-N 3.5Å
95L98.8Very high98.3Very high1 Ų146 Ų461%0.00524%0.239CC..Hα-helixtrans-67.2-41.7175.3-70.4175.4000111.7V10 I13 L15 I32 P61 E91 F92 F99V10-L95 HydrophobicContact CB-CD2 4.03Å; V10-L95 HydrophobicContact CG1-CD2 4.08Å; I13-L95 HydrophobicContact CD1-CD2 3.85Å; I13-L95 HydrophobicContact CD1-CG 4.06Å; I13-L95 HydrophobicContact CG2-CD2 4.41Å; L15-L95 HydrophobicContact CD2-CD2 3.57Å; I32-L95 HydrophobicContact CD1-CB 3.84Å; I32-L95 HydrophobicContact CD1-CD1 4.3Å; I32-L95 HydrophobicContact CG2-CD1 4.49Å; P61-L95 HydrophobicContact CB-CD1 4.21Å; P61-L95 HydrophobicContact CG-CD1 4.27Å; E91-L95 WeakPolarHBondContact O-CG 3.17Å; E91-L95 PolarHBondContact O-N 3.39Å; F92-L95 PolarHBondContact O-N 3.34Å; L95-F99 WeakPolarHBondContact O-CD2 3.34Å; L95-F99 PolarHBondContact O-N 3.43Å
96V98.5Very high98Very high8 Ų849.6 Ų49.65%0.04826%0.257CS..Hα-helixtrans-60.1-57.2175.7172.30000110.1L30 I32 F92 G93 Y98 F99 E100 I109L30-V96 HydrophobicContact CD2-CG2 4.26Å; I32-V96 HydrophobicContact CD1-CG2 4.01Å; F92-V96 HydrophobicContact CD2-CG2 4.36Å; F92-V96 HydrophobicContact CE1-CG2 4.18Å; F92-V96 HydrophobicContact CE2-CG2 3.86Å; F92-V96 HydrophobicContact CZ-CG2 3.76Å; F92-V96 WeakPolarHBondContact O-CG2 3.47Å; F92-V96 PolarHBondContact O-N 3.29Å; G93-V96 PolarHBondContact O-N 3.27Å; V96-Y98 VanDerWaalsContact C-N 3.3Å; V96-Y98 PolarHBondContact O-N 2.93Å; V96-F99 PolarHBondContact O-N 3.04Å; V96-F99 VanDerWaalsContact O-N 3.08Å; V96-E100 HydrophobicContact CG1-CG 4.17Å; V96-E100 WeakPolarHBondContact O-CG 3.48Å; V96-E100 PolarHBondContact O-N 3.15Å; V96-I109 HydrophobicContact CG1-CD1 3.59Å; V96-I109 HydrophobicContact CG2-CD1 4.24Å
97D98.2Very high97.7Very high80 Ų8049.3 Ų49.343%0.42827%0.269SS..Hα-helixtrans-55.5-43.3-179.1173.478.9000112G93 F99 E100 N101G93-D97 WeakPolarHBondContact O-CB 3.38Å; G93-D97 PolarHBondContact O-N 3.19Å; D97-F99 PolarHBondContact O-N 3.48Å; D97-E100 PolarHBondContact O-N 3.03Å; D97-N101 VanDerWaalsContact O-CB 3.32Å; D97-N101 WeakPolarHBondContact O-CB 3.3Å; D97-N101 PolarHBondContact O-N 3.38Å; D97-N101 PolarHBondContact O-ND2 2.77Å; D97-N101 PolarHBondContact OD1-ND2 2.81Å; D97-N101 PolarHBondContact OD2-ND2 2.74Å
98Y98.5Very high97.7Very high74 Ų7450.9 Ų50.929%0.2927%0.273SS..Hα-helixtrans-59.9-43.8178.3178.5-90.4000112.5R8 V10 F94 V96 L102R8-Y98 PolarHBondContact NH2-OH 2.74Å; R8-Y98 VanDerWaalsContact NH2-OH 3.12Å; V10-Y98 HydrophobicContact CB-CD1 4.41Å; V10-Y98 HydrophobicContact CB-CE1 4.49Å; V10-Y98 HydrophobicContact CG1-CD1 3.66Å; V10-Y98 HydrophobicContact CG1-CD2 3.64Å; V10-Y98 HydrophobicContact CG1-CE1 4.09Å; V10-Y98 HydrophobicContact CG1-CE2 4.08Å; V10-Y98 HydrophobicContact CG1-CG 3.41Å; V10-Y98 VanDerWaalsContact CG1-CG 3.41Å; V10-Y98 HydrophobicContact CG2-CD1 3.78Å; V10-Y98 HydrophobicContact CG2-CE1 3.6Å; V10-Y98 HydrophobicContact CG2-CG 4.4Å; F94-Y98 VanDerWaalsContact O-CB 3.28Å; F94-Y98 WeakPolarHBondContact O-CB 3.24Å; F94-Y98 PolarHBondContact O-N 3.5Å; V96-Y98 VanDerWaalsContact C-N 3.3Å; V96-Y98 PolarHBondContact O-N 2.93Å; Y98-L102 HydrophobicContact CD1-CD1 4.05Å; Y98-L102 HydrophobicContact CE1-CD1 3.46Å; Y98-L102 VanDerWaalsContact CE1-CD1 3.46Å; Y98-L102 HydrophobicContact CE1-CG 4.36Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 2.92Å
99F98.3Very high97.7Very high0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-78.8-30.2-178.9-85.3-92.3000113V10 L15 E17 L59 L95 V96 D97 L102 L104 V105V10-F99 HydrophobicContact CG2-CE2 4.17Å; L15-F99 HydrophobicContact CD2-CE2 4.44Å; E17-F99 HydrophobicContact CG-CE1 4.41Å; E17-F99 WeakPolarHBondContact OE1-CE1 3.32Å; L59-F99 HydrophobicContact CD1-CD2 3.43Å; L59-F99 VanDerWaalsContact CD1-CD2 3.43Å; L59-F99 HydrophobicContact CD1-CE2 3.39Å; L59-F99 HydrophobicContact CD1-CG 4.09Å; L59-F99 HydrophobicContact CD1-CZ 4.02Å; L59-F99 HydrophobicContact CD2-CD1 4.38Å; L59-F99 HydrophobicContact CD2-CD2 4.26Å; L59-F99 HydrophobicContact CD2-CE1 3.74Å; L59-F99 HydrophobicContact CD2-CE2 3.6Å; L59-F99 HydrophobicContact CD2-CZ 3.3Å; L59-F99 HydrophobicContact CG-CD2 4.48Å; L59-F99 HydrophobicContact CG-CE2 4.15Å; L59-F99 HydrophobicContact CG-CZ 4.31Å; L95-F99 WeakPolarHBondContact O-CD2 3.34Å; L95-F99 PolarHBondContact O-N 3.43Å; V96-F99 PolarHBondContact O-N 3.04Å; V96-F99 VanDerWaalsContact O-N 3.08Å; D97-F99 PolarHBondContact O-N 3.48Å; F99-L102 PolarHBondContact O-N 3.21Å; F99-L104 HydrophobicContact CD1-CB 4.27Å; F99-L104 HydrophobicContact CD1-CD1 4.1Å; F99-L104 HydrophobicContact CE1-CD1 4.35Å; F99-L104 PolarHBondContact O-N 3.34Å; F99-L104 VanDerWaalsContact O-N 3.11Å; F99-V105 HydrophobicContact CB-CG2 3.59Å
100E97.8Very high97.7Very high83 Ų8350.5 Ų50.539%0.38827%0.271SS..Hα-helixtrans-63.3-46.4169.9-74-177.8153.200111.3V96 D97 L102 G103 V105V96-E100 HydrophobicContact CG1-CG 4.17Å; V96-E100 WeakPolarHBondContact O-CG 3.48Å; V96-E100 PolarHBondContact O-N 3.15Å; D97-E100 PolarHBondContact O-N 3.03Å; E100-L102 PolarHBondContact O-N 3.47Å; E100-G103 WeakPolarHBondContact O-CA 3.33Å; E100-G103 PolarHBondContact O-N 3.03Å; E100-V105 HydrophobicContact CG-CB 3.89Å; E100-V105 HydrophobicContact CG-CG1 4.14Å; E100-V105 HydrophobicContact CG-CG2 4.17Å
101N97.9Very high97.7Very high119 Ų11942 Ų4264%0.63624%0.237SC*.Hα-helixtrans-64.8-22.7177.6-77.5-47.1000113.5D97 G103D97-N101 VanDerWaalsContact O-CB 3.32Å; D97-N101 WeakPolarHBondContact O-CB 3.3Å; D97-N101 PolarHBondContact O-N 3.38Å; D97-N101 PolarHBondContact O-ND2 2.77Å; D97-N101 PolarHBondContact OD1-ND2 2.81Å; D97-N101 PolarHBondContact OD2-ND2 2.74Å; N101-G103 VanDerWaalsContact C-N 3.26Å
102L97.6Very high97.7Very high81 Ų8140.6 Ų40.642%0.42423%0.231SC..THydrogen-bonded Turntrans-79.8-5170.3-69.5179.7000113.5Y98 F99 E100 L104Y98-L102 HydrophobicContact CD1-CD1 4.05Å; Y98-L102 HydrophobicContact CE1-CD1 3.46Å; Y98-L102 VanDerWaalsContact CE1-CD1 3.46Å; Y98-L102 HydrophobicContact CE1-CG 4.36Å; Y98-L102 WeakPolarHBondContact O-CG 3.46Å; Y98-L102 PolarHBondContact O-N 2.92Å; F99-L102 PolarHBondContact O-N 3.21Å; E100-L102 PolarHBondContact O-N 3.47Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 HydrophobicContact CB-CB 4.42Å; L102-L104 HydrophobicContact CB-CD1 3.83Å; L102-L104 HydrophobicContact CB-CG 3.8Å; L102-L104 HydrophobicContact CD1-CD1 3.97Å; L102-L104 PolarHBondContact O-N 3.01Å
103G98Very high97.7Very high45 Ų4540.6 Ų40.646%0.46423%0.231SC..THydrogen-bonded Turntrans69.924.8-17500000113.5E100 N101E100-G103 WeakPolarHBondContact O-CA 3.33Å; E100-G103 PolarHBondContact O-N 3.03Å; N101-G103 VanDerWaalsContact C-N 3.26Å
104L98Very high97.7Very high14 Ų1440.4 Ų40.47%0.07322%0.222CC..  trans-103.72.7-172.4-65.2-178.7000113.9L28 R57 F99 L102L28-L104 PolarHBondContact N-O 3.41Å; R57-L104 PolarHBondContact NE-O 3.26Å; F99-L104 HydrophobicContact CD1-CB 4.27Å; F99-L104 HydrophobicContact CD1-CD1 4.1Å; F99-L104 HydrophobicContact CE1-CD1 4.35Å; F99-L104 PolarHBondContact O-N 3.34Å; F99-L104 VanDerWaalsContact O-N 3.11Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 HydrophobicContact CB-CB 4.42Å; L102-L104 HydrophobicContact CB-CD1 3.83Å; L102-L104 HydrophobicContact CB-CG 3.8Å; L102-L104 HydrophobicContact CD1-CD1 3.97Å; L102-L104 PolarHBondContact O-N 3.01Å
105V96.7Very high97.7Very high17 Ų1736.6 Ų36.610%0.10321%0.207CC..EExtended strand (participates in β ladder)trans-124.2136.6-178-175.90000109.1L28 L30 F99 E100L28-V105 WeakPolarHBondContact O-CA 3.46Å; L30-V105 HydrophobicContact CB-CG1 3.85Å; L30-V105 HydrophobicContact CB-CG2 4.11Å; L30-V105 HydrophobicContact CD1-CG2 4.48Å; L30-V105 HydrophobicContact CD2-CG1 4.49Å; L30-V105 HydrophobicContact CD2-CG2 3.93Å; L30-V105 HydrophobicContact CG-CG2 4.41Å; F99-V105 HydrophobicContact CB-CG2 3.59Å; E100-V105 HydrophobicContact CG-CB 3.89Å; E100-V105 HydrophobicContact CG-CG1 4.14Å; E100-V105 HydrophobicContact CG-CG2 4.17Å
106M93.6Very high97.7Very high76 Ų7636.6 Ų36.637%0.37421%0.207SC..EExtended strand (participates in β ladder)trans-95.216.4-177.976-179-57.300114.8P27 L28 P29 K108 I246P27-M106 HydrophobicContact CB-CB 4.26Å; L28-M106 PolarHBondContact O-N 3.23Å; P29-M106 HydrophobicContact CB-CG 4.5Å; P29-M106 HydrophobicContact CB-SD 4.3Å; P29-M106 WeakPolarHBondContact CD-SD 3.45Å; P29-M106 HydrophobicContact CG-CG 4.28Å; P29-M106 HydrophobicContact CG-SD 3.49Å; P29-M106 WeakPolarHBondContact CG-SD 3.47Å; M106-K108 HydrophobicContact CG-CB 4.2Å; M106-K108 HydrophobicContact CG-CG 4.4Å; M106-I246 HydrophobicContact CE-CD1 3.68Å; M106-I246 HydrophobicContact CE-CG1 3.86Å; M106-I246 HydrophobicContact SD-CD1 3.41Å; M106-I246 WeakPolarHBondContact SD-CD1 3.49Å; M106-I246 HydrophobicContact SD-CG1 3.58Å; M106-I246 VanDerWaalsContact SD-CG1 3.58Å
107G91.9Very high97.7Very high53 Ų5336.2 Ų36.255%0.54621%0.205SC..EExtended strand (participates in β ladder)trans74.221.5-175.300000114.7
108K97.5Very high97.7Very high73 Ų7332.4 Ų32.432%0.31718%0.184SC..EExtended strand (participates in β ladder)trans-119.2123.8169.8-74.4-168.8180-1670109.5P29 L30 M106 D132 L244 G245P29-K108 WeakPolarHBondContact CA-O 3.41Å; P29-K108 HydrophobicContact CB-CB 3.85Å; L30-K108 PolarHBondContact N-O 2.84Å; M106-K108 HydrophobicContact CG-CB 4.2Å; M106-K108 HydrophobicContact CG-CG 4.4Å; K108-D132 VanDerWaalsContact CA-OD2 3.23Å; K108-D132 WeakPolarHBondContact CA-OD2 3.37Å; K108-L244 HydrophobicContact CB-CD1 3.93Å; K108-L244 HydrophobicContact CB-CG 4.47Å; K108-L244 WeakPolarHBondContact CD-O 3.46Å; K108-G245 PolarHBondContact NZ-O 2.94Å; K108-G245 VanDerWaalsContact NZ-O 3.08Å
109I98.7Very high97.8Very high4 Ų428.9 Ų28.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-124.8123.2-171.9-58.2173.2000110.6L30 F92 V96 E130 I131 D132 V133L30-I109 CarbonylContact O-C 3.52Å; L30-I109 WeakPolarHBondContact O-CA 3.44Å; F92-I109 HydrophobicContact CE2-CG2 4.28Å; F92-I109 HydrophobicContact CZ-CG2 4.04Å; V96-I109 HydrophobicContact CG1-CD1 3.59Å; V96-I109 HydrophobicContact CG2-CD1 4.24Å; I109-E130 HydrophobicContact CD1-CG 4.18Å; I109-I131 HydrophobicContact CG2-CG1 4.33Å; I109-D132 PolarHBondContact N-OD2 3.05Å; I109-D132 PolarHBondContact O-N 3.1Å; I109-V133 PolarHBondContact O-N 3.27Å
110G98.8Very high97.8Very high0 Ų028.9 Ų28.90%017%0.171CC..EExtended strand (participates in β ladder)trans-109.2150.9167.900000111.9L30 I31 I32 V133L30-G110 PolarHBondContact O-N 3.1Å; I31-G110 VanDerWaalsContact CA-O 3.29Å; I31-G110 WeakPolarHBondContact CA-O 3.37Å; I32-G110 PolarHBondContact N-O 3.22Å; G110-V133 CarbonylContact C-O 3.15Å; G110-V133 WeakPolarHBondContact CA-O 3.28Å
111V98.9Very high97.8Very high0 Ų025 Ų250%015%0.152CC..EExtended strand (participates in β ladder)trans-131143168.4-67.40000110.9I32 F92 T121 L124 I131 V133 A134 A135 F240I32-V111 WeakPolarHBondContact O-CA 3.39Å; F92-V111 HydrophobicContact CD2-CG1 4.06Å; F92-V111 HydrophobicContact CE2-CG1 3.4Å; F92-V111 HydrophobicContact CZ-CG1 4.17Å; V111-T121 HydrophobicContact CB-CG2 4.44Å; V111-T121 HydrophobicContact CG2-CG2 3.81Å; V111-L124 HydrophobicContact CG1-CD1 4.12Å; V111-I131 HydrophobicContact CG1-CD1 3.87Å; V111-I131 HydrophobicContact CG1-CG1 4.15Å; V111-I131 HydrophobicContact CG2-CD1 3.78Å; V111-I131 HydrophobicContact CG2-CG1 4.36Å; V111-I131 HydrophobicContact CG2-CG2 3.67Å; V111-V133 PolarHBondContact N-O 3.34Å; V111-A134 HydrophobicContact CG2-CB 3.91Å; V111-A134 CarbonylContact O-C 3.58Å; V111-A134 WeakPolarHBondContact O-CA 3.39Å; V111-A135 PolarHBondContact O-N 3.25Å; V111-F240 WeakPolarHBondContact O-CZ 3.41Å
112G98.9Very high97.9Very high0 Ų019.3 Ų19.30%012%0.122CC..EExtended strand (participates in β ladder)trans-150.9170.5172.800000112I32 Y33 Y34 T121 A135I32-G112 PolarHBondContact O-N 3.29Å; Y33-G112 CarbonylContact C-O 3.55Å; Y33-G112 VanDerWaalsContact CA-O 3.25Å; Y33-G112 WeakPolarHBondContact CA-O 3.49Å; Y34-G112 PolarHBondContact N-O 2.93Å; G112-T121 WeakPolarHBondContact CA-OG1 3.43Å; G112-T121 PolarHBondContact O-OG1 3.2Å; G112-A135 CarbonylContact C-O 3.31Å; G112-A135 WeakPolarHBondContact CA-O 2.86Å
113G98.7Very high97.9Very high0 Ų015.5 Ų15.50%010%0.102CC..EExtended strand (participates in β ladder)trans177.9166.2174.100000114Y34 G118 T121 A135 V137Y34-G113 WeakPolarHBondContact O-CA 3.32Å; G113-G118 VanDerWaalsContact C-N 3.31Å; G113-G118 WeakPolarHBondContact O-CA 3.44Å; G113-G118 PolarHBondContact O-N 3.04Å; G113-T121 PolarHBondContact N-OG1 3.15Å; G113-A135 PolarHBondContact N-O 3.33Å; G113-A135 VanDerWaalsContact N-O 3.08Å; G113-V137 WeakPolarHBondContact O-CB 3.42Å; G113-V137 PolarHBondContact O-N 3.24Å
114I98.5Very high98Very high27 Ų2713.3 Ų13.314%0.1388%0.08CC..EExtended strand (participates in β ladder)trans-110.8132.4-177.7-61175000109.7Y33 Y34 G36 V44 M116 G117 V137 M138Y33-I114 HydrophobicContact CE1-CD1 4.32Å; Y33-I114 HydrophobicContact CE1-CG1 4.05Å; Y34-I114 PolarHBondContact O-N 3.27Å; Y34-I114 VanDerWaalsContact O-N 3.1Å; G36-I114 WeakPolarHBondContact CA-O 3.46Å; V44-I114 HydrophobicContact CG1-CD1 4.12Å; I114-M116 PolarHBondContact O-N 3.36Å; I114-M116 VanDerWaalsContact O-N 3.16Å; I114-G117 PolarHBondContact O-N 2.97Å; I114-V137 CarbonylContact C-O 3.52Å; I114-V137 VanDerWaalsContact CA-O 3.27Å; I114-V137 WeakPolarHBondContact CA-O 3.48Å; I114-V137 HydrophobicContact CG1-CB 4.07Å; I114-V137 HydrophobicContact CG1-CG1 4.25Å; I114-M138 HydrophobicContact CG2-CE 3.4Å
115S98.1Very high98Very high13 Ų1312.9 Ų12.99%0.0918%0.077CC..THydrogen-bonded Turntrans59.6-114.2174.6-171.90000111.6G117 G118 I119 V137 M138 G139 H226S115-G117 PolarHBondContact O-N 3.4Å; S115-G118 WeakPolarHBondContact O-CA 3.5Å; S115-G118 PolarHBondContact O-N 3.42Å; S115-I119 PolarHBondContact O-N 2.92Å; S115-V137 PolarHBondContact N-O 3.14Å; S115-M138 WeakPolarHBondContact CA-O 3.34Å; S115-G139 WeakPolarHBondContact O-CA 3.35Å; S115-H226 VanDerWaalsContact CB-CE1 3.47Å; S115-H226 WeakPolarHBondContact CB-CE1 3.49Å; S115-H226 WeakPolarHBondContact CB-NE2 3.49Å; S115-H226 PolarHBondContact OG-CE1 3.26Å; S115-H226 PolarHBondContact OG-NE2 2.53Å
116M98.6Very high98.1Very high1 Ų112.3 Ų12.31%0.0057%0.074CC..Hα-helixtrans-47.3-45.5167.7-175.4-172.570.300112H35 W37 A63 F81 I85 I114 G118 I119 T120H35-M116 WeakPolarHBondContact O-CE 3.33Å; W37-M116 HydrophobicContact CB-CB 4.2Å; W37-M116 HydrophobicContact CB-SD 4.41Å; W37-M116 HydrophobicContact CE3-SD 3.69Å; W37-M116 HydrophobicContact CZ3-SD 4.45Å; A63-M116 HydrophobicContact CB-CE 3.8Å; F81-M116 HydrophobicContact CD2-CG 4.36Å; F81-M116 HydrophobicContact CD2-SD 4.42Å; F81-M116 HydrophobicContact CE2-CB 3.98Å; F81-M116 HydrophobicContact CE2-CG 3.79Å; F81-M116 HydrophobicContact CE2-SD 4.41Å; F81-M116 HydrophobicContact CZ-CG 4.45Å; I85-M116 HydrophobicContact CD1-CG 3.92Å; I85-M116 HydrophobicContact CG1-CG 3.57Å; I85-M116 HydrophobicContact CG1-SD 4.26Å; I114-M116 PolarHBondContact O-N 3.36Å; I114-M116 VanDerWaalsContact O-N 3.16Å; M116-G118 VanDerWaalsContact C-N 3.29Å; M116-G118 PolarHBondContact O-N 3.38Å; M116-I119 WeakPolarHBondContact O-CB 3.42Å; M116-I119 PolarHBondContact O-N 3.24Å; M116-T120 PolarHBondContact O-N 3.16Å; M116-T120 PolarHBondContact O-OG1 3.31Å
117G98.8Very high98.3Very high0 Ų012.4 Ų12.40%07%0.074CC..Hα-helixtrans-62.5-35.5177.100000112.8Y34 H35 I114 S115 T120 T121Y34-G117 VanDerWaalsContact CB-CA 3.47Å; H35-G117 PolarHBondContact O-N 3.21Å; I114-G117 PolarHBondContact O-N 2.97Å; S115-G117 PolarHBondContact O-N 3.4Å; G117-T120 WeakPolarHBondContact O-CB 3.37Å; G117-T120 PolarHBondContact O-N 3.12Å; G117-T121 PolarHBondContact O-N 2.84Å; G117-T121 PolarHBondContact O-OG1 3.2Å
118G98.8Very high98.6Very high0 Ų011.3 Ų11.30%05%0.054CC..Hα-helixtrans-70.1-35.6174.900000112.6G113 S115 M116 T121 C122 C136G113-G118 VanDerWaalsContact C-N 3.31Å; G113-G118 WeakPolarHBondContact O-CA 3.44Å; G113-G118 PolarHBondContact O-N 3.04Å; S115-G118 WeakPolarHBondContact O-CA 3.5Å; S115-G118 PolarHBondContact O-N 3.42Å; M116-G118 VanDerWaalsContact C-N 3.29Å; M116-G118 PolarHBondContact O-N 3.38Å; G118-T121 WeakPolarHBondContact O-CB 3.42Å; G118-T121 PolarHBondContact O-N 3.42Å; G118-C122 PolarHBondContact O-N 3.22Å; G118-C136 VanDerWaalsContact C-SG 3.6Å; G118-C136 PolarHBondContact O-SG 3.09Å
119I98.9Very high98.7Very high1 Ų113 Ų131%0.0057%0.072CC..Hα-helixtrans-62.6-47.9170.2-63.8167.4000109.8F81 I85 S115 M116 T121 C122 M123 Y146F81-I119 HydrophobicContact CZ-CD1 3.94Å; I85-I119 HydrophobicContact CD1-CB 4.31Å; I85-I119 HydrophobicContact CD1-CG2 3.91Å; S115-I119 PolarHBondContact O-N 2.92Å; M116-I119 WeakPolarHBondContact O-CB 3.42Å; M116-I119 PolarHBondContact O-N 3.24Å; I119-T121 VanDerWaalsContact C-N 3.3Å; I119-T121 PolarHBondContact O-N 2.97Å; I119-C122 PolarHBondContact O-N 3.33Å; I119-M123 HydrophobicContact CG2-CE 3.87Å; I119-M123 HydrophobicContact CG2-CG 4.41Å; I119-M123 HydrophobicContact CG2-SD 4.3Å; I119-M123 WeakPolarHBondContact O-CG 3.25Å; I119-M123 PolarHBondContact O-N 2.88Å; I119-Y146 HydrophobicContact CD1-CD1 4.23Å; I119-Y146 HydrophobicContact CD1-CE1 4.26Å
120T98.9Very high98.6Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-54.5-45.9173.3-65.90000111.3Y34 N88 L89 M116 G117 C122 M123 L124Y34-T120 HydrophobicContact CD1-CG2 4.29Å; Y34-T120 HydrophobicContact CD2-CG2 3.98Å; Y34-T120 HydrophobicContact CE1-CG2 4.26Å; Y34-T120 HydrophobicContact CE2-CG2 3.95Å; Y34-T120 HydrophobicContact CG-CG2 4.15Å; N88-T120 HydrophobicContact CB-CG2 3.61Å; N88-T120 PolarHBondContact ND2-OG1 3.08Å; L89-T120 HydrophobicContact CD2-CG2 4.4Å; M116-T120 PolarHBondContact O-N 3.16Å; M116-T120 PolarHBondContact O-OG1 3.31Å; G117-T120 WeakPolarHBondContact O-CB 3.37Å; G117-T120 PolarHBondContact O-N 3.12Å; T120-C122 PolarHBondContact O-N 3.1Å; T120-M123 PolarHBondContact O-N 3.45Å; T120-L124 HydrophobicContact CG2-CD1 3.98Å; T120-L124 HydrophobicContact CG2-CG 4.27Å; T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 3.01Å
121T98.9Very high98.6Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-55.5-50.8176.6-59.50000112V111 G112 G113 G117 G118 I119 M123 L124 L125 A134V111-T121 HydrophobicContact CB-CG2 4.44Å; V111-T121 HydrophobicContact CG2-CG2 3.81Å; G112-T121 WeakPolarHBondContact CA-OG1 3.43Å; G112-T121 PolarHBondContact O-OG1 3.2Å; G113-T121 PolarHBondContact N-OG1 3.15Å; G117-T121 PolarHBondContact O-N 2.84Å; G117-T121 PolarHBondContact O-OG1 3.2Å; G118-T121 WeakPolarHBondContact O-CB 3.42Å; G118-T121 PolarHBondContact O-N 3.42Å; I119-T121 VanDerWaalsContact C-N 3.3Å; I119-T121 PolarHBondContact O-N 2.97Å; T121-M123 VanDerWaalsContact C-N 3.32Å; T121-M123 PolarHBondContact O-N 2.96Å; T121-L124 PolarHBondContact O-N 3.42Å; T121-L125 PolarHBondContact O-N 2.78Å; T121-A134 HydrophobicContact CG2-CB 3.86Å
122C98.9Very high98.6Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-63.3-38.9178.8-69.30000112.5G118 I119 T120 L125 P141 L177G118-C122 PolarHBondContact O-N 3.22Å; I119-C122 PolarHBondContact O-N 3.33Å; T120-C122 PolarHBondContact O-N 3.1Å; C122-L125 PolarHBondContact O-N 3.29Å; C122-P141 HydrophobicContact CB-CB 4.34Å; C122-L177 HydrophobicContact CB-CB 4.4Å; C122-L177 HydrophobicContact CB-CD2 4.1Å
123M98.9Very high98.6Very high1 Ų119.9 Ų19.91%0.00511%0.107CC..Hα-helixtrans-64.4-42.8176.2-72.3-173.8171.400112.1W82 I85 L89 I119 T120 T121 L125 T126 P143 W171 L172 Y175W82-M123 HydrophobicContact CE3-CE 4.44Å; W82-M123 HydrophobicContact CZ3-CE 3.78Å; I85-M123 HydrophobicContact CG2-CE 4.02Å; I85-M123 HydrophobicContact CG2-SD 3.3Å; I85-M123 WeakPolarHBondContact CG2-SD 3.46Å; L89-M123 HydrophobicContact CD1-CB 4.36Å; L89-M123 HydrophobicContact CD1-SD 3.94Å; L89-M123 HydrophobicContact CD2-CB 3.73Å; I119-M123 HydrophobicContact CG2-CE 3.87Å; I119-M123 HydrophobicContact CG2-CG 4.41Å; I119-M123 HydrophobicContact CG2-SD 4.3Å; I119-M123 WeakPolarHBondContact O-CG 3.25Å; I119-M123 PolarHBondContact O-N 2.88Å; T120-M123 PolarHBondContact O-N 3.45Å; T121-M123 VanDerWaalsContact C-N 3.32Å; T121-M123 PolarHBondContact O-N 2.96Å; M123-L125 VanDerWaalsContact C-N 3.25Å; M123-L125 PolarHBondContact O-N 3.38Å; M123-T126 PolarHBondContact O-N 3.33Å; M123-T126 PolarHBondContact O-OG1 3.46Å; M123-P143 HydrophobicContact CE-CB 3.27Å; M123-P143 HydrophobicContact CE-CG 3.65Å; M123-P143 HydrophobicContact CG-CG 4.44Å; M123-W171 HydrophobicContact CE-CZ3 4.4Å; M123-W171 HydrophobicContact SD-CZ3 4.3Å; M123-L172 HydrophobicContact CE-CD2 3.51Å; M123-Y175 WeakPolarHBondContact CA-O 3.13Å; M123-Y175 HydrophobicContact CB-CD1 4.18Å; M123-Y175 WeakPolarHBondContact CG-O 3.18Å
124L98.9Very high98.6Very high0 Ų019.9 Ų19.90%011%0.107CC..Hα-helixtrans-59.3-38.5178.4-73.7171000111.7Y34 L89 F92 V111 T120 T121 T126 Q127 H128 I131Y34-L124 HydrophobicContact CE2-CD1 3.73Å; L89-L124 HydrophobicContact CD2-CD2 3.64Å; L89-L124 HydrophobicContact CD2-CG 3.8Å; F92-L124 HydrophobicContact CB-CD1 4.3Å; F92-L124 HydrophobicContact CB-CD2 3.56Å; F92-L124 HydrophobicContact CD1-CD2 3.91Å; F92-L124 HydrophobicContact CD2-CD1 3.83Å; F92-L124 HydrophobicContact CD2-CD2 4.25Å; F92-L124 HydrophobicContact CE2-CD1 4.44Å; F92-L124 HydrophobicContact CG-CD1 4.06Å; F92-L124 HydrophobicContact CG-CD2 3.62Å; F92-L124 HydrophobicContact CG-CG 4.47Å; V111-L124 HydrophobicContact CG1-CD1 4.12Å; T120-L124 HydrophobicContact CG2-CD1 3.98Å; T120-L124 HydrophobicContact CG2-CG 4.27Å; T120-L124 WeakPolarHBondContact O-CG 3.47Å; T120-L124 PolarHBondContact O-N 3.01Å; T121-L124 PolarHBondContact O-N 3.42Å; L124-T126 PolarHBondContact O-N 3.37Å; L124-Q127 PolarHBondContact O-N 2.9Å; L124-Q127 VanDerWaalsContact O-N 3.08Å; L124-H128 VanDerWaalsContact CD2-CD2 3.47Å; L124-H128 WeakPolarHBondContact CD2-CD2 3.4Å; L124-H128 WeakPolarHBondContact O-CB 3.43Å; L124-H128 PolarHBondContact O-CD2 3.04Å; L124-H128 PolarHBondContact O-N 2.87Å; L124-I131 HydrophobicContact CB-CD1 3.75Å
125L98.7Very high98.6Very high4 Ų418.6 Ų18.62%0.02110%0.101CC..Hα-helixtrans-58.2-22.7177.3-70.1175000113.5T121 C122 M123 I131 A134 L177 R187 L189T121-L125 PolarHBondContact O-N 2.78Å; C122-L125 PolarHBondContact O-N 3.29Å; M123-L125 VanDerWaalsContact C-N 3.25Å; M123-L125 PolarHBondContact O-N 3.38Å; L125-I131 HydrophobicContact CD2-CB 4.34Å; L125-I131 HydrophobicContact CD2-CG2 3.77Å; L125-A134 HydrophobicContact CD1-CB 3.81Å; L125-A134 HydrophobicContact CD2-CB 3.88Å; L125-A134 HydrophobicContact CG-CB 4.14Å; L125-L177 HydrophobicContact CB-CD1 4.38Å; L125-L177 HydrophobicContact CB-CD2 4.46Å; L125-L177 HydrophobicContact CD1-CD2 4.12Å; L125-R187 PolarHBondContact O-NH2 3.21Å; L125-L189 HydrophobicContact CD1-CD1 3.96Å; L125-L189 HydrophobicContact CD1-CD2 3.86Å; L125-L189 HydrophobicContact CD1-CG 4.45Å
126T98.6Very high98.7Very high5 Ų518 Ų183%0.03110%0.096CC..Hα-helixtrans-78.6-22.7178.876.40000113.5M123 L124 A174 Y175 L177 K183M123-T126 PolarHBondContact O-N 3.33Å; M123-T126 PolarHBondContact O-OG1 3.46Å; L124-T126 PolarHBondContact O-N 3.37Å; T126-A174 PolarHBondContact OG1-O 2.88Å; T126-Y175 WeakPolarHBondContact OG1-CA 3.49Å; T126-L177 HydrophobicContact CG2-CB 3.93Å; T126-L177 HydrophobicContact CG2-CD1 3.96Å; T126-K183 WeakPolarHBondContact O-CD 3.31Å; T126-K183 WeakPolarHBondContact O-CE 3.17Å; T126-K183 PolarHBondContact O-NZ 3.43Å
127Q98.2Very high98.7Very high79 Ų7918 Ų1837%0.36910%0.096SC..Hα-helixtrans-123-10.2-174.9-58.5-55.2-36.100114L124 P129 A174 Y175L124-Q127 PolarHBondContact O-N 2.9Å; L124-Q127 VanDerWaalsContact O-N 3.08Å; Q127-P129 VanDerWaalsContact O-CD 3.26Å; Q127-P129 WeakPolarHBondContact O-CD 3.48Å; Q127-A174 PolarHBondContact NE2-O 3.24Å; Q127-Y175 HydrophobicContact CB-CE1 4Å; Q127-Y175 HydrophobicContact CG-CD1 3.8Å; Q127-Y175 HydrophobicContact CG-CE1 3.3Å
128H98.5Very high98.6Very high29 Ų2918.2 Ų18.213%0.13410%0.097CC..  trans-117.584.2-175.8-64.2-75.9000111F92 L124 E130 I131 R187F92-H128 HydrophobicContact CD1-CB 4.46Å; F92-H128 AromaticContact CD1-CD2 3.84Å; F92-H128 AromaticContact CD1-CE1 3.55Å; F92-H128 AromaticContact CD1-CG 3.66Å; F92-H128 AromaticContact CD1-ND1 3.48Å; F92-H128 WeakPolarHBondContact CD1-ND1 3.44Å; F92-H128 AromaticContact CD1-NE2 3.77Å; F92-H128 HydrophobicContact CE1-CB 3.86Å; F92-H128 AromaticContact CE1-CG 3.51Å; F92-H128 AromaticContact CE1-ND1 3.44Å; F92-H128 WeakPolarHBondContact CE1-ND1 3.48Å; L124-H128 VanDerWaalsContact CD2-CD2 3.47Å; L124-H128 WeakPolarHBondContact CD2-CD2 3.4Å; L124-H128 WeakPolarHBondContact O-CB 3.43Å; L124-H128 PolarHBondContact O-CD2 3.04Å; L124-H128 PolarHBondContact O-N 2.87Å; H128-E130 WeakPolarHBondContact CA-OE2 3.44Å; H128-E130 WeakPolarHBondContact CB-OE1 3.26Å; H128-E130 IonicContact CE1-OE1 3.75Å; H128-E130 IonicContact CG-OE1 3.98Å; H128-E130 IonicContact ND1-OE1 3.8Å; H128-E130 PolarHBondContact ND1-OE1 3.35Å; H128-E130 PolarHBondContact O-N 2.82Å; H128-I131 HydrophobicContact CB-CD1 3.56Å; H128-I131 HydrophobicContact CB-CG1 3.94Å; H128-I131 PolarHBondContact O-N 3.39Å; H128-R187 PolarHBondContact O-NH1 2.79Å
129P97.9Very high98.6Very high108 Ų10818.2 Ų18.270%0.70110%0.097SC*.THydrogen-bonded Turntrans-64.8-18.1175.528.3-36.1000113.5Q127 I131Q127-P129 VanDerWaalsContact O-CD 3.26Å; Q127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-I131 PolarHBondContact O-N 2.63Å
130E97.8Very high98.6Very high83 Ų8318.1 Ų18.139%0.38810%0.097SC..THydrogen-bonded Turntrans-71.5-12.3176.469.2-84.8-162.900114.4I109 H128 D132I109-E130 HydrophobicContact CD1-CG 4.18Å; H128-E130 WeakPolarHBondContact CA-OE2 3.44Å; H128-E130 WeakPolarHBondContact CB-OE1 3.26Å; H128-E130 IonicContact CE1-OE1 3.75Å; H128-E130 IonicContact CG-OE1 3.98Å; H128-E130 IonicContact ND1-OE1 3.8Å; H128-E130 PolarHBondContact ND1-OE1 3.35Å; H128-E130 PolarHBondContact O-N 2.82Å; E130-D132 PolarHBondContact O-N 3.13Å
131I98.7Very high98.6Very high0 Ų018.1 Ų18.10%010%0.097CC..  trans-73.4125.6171.4-67168.6000108.4F92 I109 V111 L124 L125 H128 P129 R187F92-I131 HydrophobicContact CE1-CD1 4.21Å; F92-I131 HydrophobicContact CE1-CG1 4.23Å; F92-I131 HydrophobicContact CE2-CD1 4.29Å; F92-I131 HydrophobicContact CE2-CG1 4.33Å; F92-I131 HydrophobicContact CZ-CD1 3.79Å; F92-I131 HydrophobicContact CZ-CG1 3.6Å; I109-I131 HydrophobicContact CG2-CG1 4.33Å; V111-I131 HydrophobicContact CG1-CD1 3.87Å; V111-I131 HydrophobicContact CG1-CG1 4.15Å; V111-I131 HydrophobicContact CG2-CD1 3.78Å; V111-I131 HydrophobicContact CG2-CG1 4.36Å; V111-I131 HydrophobicContact CG2-CG2 3.67Å; L124-I131 HydrophobicContact CB-CD1 3.75Å; L125-I131 HydrophobicContact CD2-CB 4.34Å; L125-I131 HydrophobicContact CD2-CG2 3.77Å; H128-I131 HydrophobicContact CB-CD1 3.56Å; H128-I131 HydrophobicContact CB-CG1 3.94Å; H128-I131 PolarHBondContact O-N 3.39Å; P129-I131 PolarHBondContact O-N 2.63Å; I131-R187 WeakPolarHBondContact O-CD 3.5Å; I131-R187 PolarHBondContact O-NH1 2.92Å
132D98.6Very high98.6Very high65 Ų6518.2 Ų18.235%0.34810%0.097SC..  trans-88.6-41.1178.7-60-75.3000112.9K108 I109 E130 P188 L244K108-D132 VanDerWaalsContact CA-OD2 3.23Å; K108-D132 WeakPolarHBondContact CA-OD2 3.37Å; I109-D132 PolarHBondContact N-OD2 3.05Å; I109-D132 PolarHBondContact O-N 3.1Å; E130-D132 PolarHBondContact O-N 3.13Å; D132-P188 WeakPolarHBondContact O-CD 3.42Å; D132-L244 HydrophobicContact CB-CD1 3.79Å
133V98.8Very high98.5Very high1 Ų118.2 Ų18.21%0.00610%0.098CC..EExtended strand (participates in β ladder)trans-140.1138.8-170.9-1790000110.8I109 G110 V111 P188 F239 F240 N243 L244I109-V133 PolarHBondContact O-N 3.27Å; G110-V133 CarbonylContact C-O 3.15Å; G110-V133 WeakPolarHBondContact CA-O 3.28Å; V111-V133 PolarHBondContact N-O 3.34Å; V133-P188 WeakPolarHBondContact CA-O 3.46Å; V133-P188 HydrophobicContact CG1-CB 4.3Å; V133-P188 HydrophobicContact CG2-CB 4.32Å; V133-P188 HydrophobicContact CG2-CG 4.38Å; V133-F239 HydrophobicContact CG1-CD1 4.09Å; V133-F239 HydrophobicContact CG1-CE1 3.52Å; V133-F239 HydrophobicContact CG1-CZ 4.37Å; V133-F240 HydrophobicContact CB-CD1 4.25Å; V133-F240 HydrophobicContact CB-CE1 4.22Å; V133-F240 HydrophobicContact CG1-CD1 3.7Å; V133-F240 HydrophobicContact CG1-CE1 3.78Å; V133-N243 HydrophobicContact CG1-CB 4.04Å; V133-N243 HydrophobicContact CG2-CB 3.66Å; V133-L244 HydrophobicContact CB-CB 4.37Å; V133-L244 HydrophobicContact CB-CD1 4.27Å; V133-L244 HydrophobicContact CG2-CB 4Å; V133-L244 HydrophobicContact CG2-CD1 3.9Å
134A98.9Very high98.5Very high1 Ų119.8 Ų19.81%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-135.2149.4-179.500000114.8V111 T121 L125 P188 L189 F190 F239V111-A134 HydrophobicContact CG2-CB 3.91Å; V111-A134 CarbonylContact O-C 3.58Å; V111-A134 WeakPolarHBondContact O-CA 3.39Å; T121-A134 HydrophobicContact CG2-CB 3.86Å; L125-A134 HydrophobicContact CD1-CB 3.81Å; L125-A134 HydrophobicContact CD2-CB 3.88Å; L125-A134 HydrophobicContact CG-CB 4.14Å; A134-P188 PolarHBondContact N-O 3.07Å; A134-L189 HydrophobicContact CB-CD1 3.81Å; A134-L189 WeakPolarHBondContact O-CA 3.35Å; A134-F190 PolarHBondContact O-N 3Å; A134-F239 WeakPolarHBondContact O-CE1 3.3Å
135A98.8Very high98.5Very high0 Ų024 Ų240%012%0.124CC..EExtended strand (participates in β ladder)trans-134.8112.6173.500000112.4V111 G112 G113 F190 I236 F240V111-A135 PolarHBondContact O-N 3.25Å; G112-A135 CarbonylContact C-O 3.31Å; G112-A135 WeakPolarHBondContact CA-O 2.86Å; G113-A135 PolarHBondContact N-O 3.33Å; G113-A135 VanDerWaalsContact N-O 3.08Å; A135-F190 CarbonylContact C-O 3.55Å; A135-F190 VanDerWaalsContact CA-O 3.31Å; A135-F190 WeakPolarHBondContact CA-O 3.42Å; A135-F190 HydrophobicContact CB-CB 4.28Å; A135-I236 HydrophobicContact CB-CG2 4.06Å; A135-F240 HydrophobicContact CB-CE2 3.52Å; A135-F240 HydrophobicContact CB-CZ 3.75Å
136C98.8Very high98.4Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-101.9113.4175.9176.50000110.3G118 G139 F190 F191 W192G118-C136 VanDerWaalsContact C-SG 3.6Å; G118-C136 PolarHBondContact O-SG 3.09Å; C136-G139 WeakPolarHBondContact SG-CA 3.26Å; C136-F190 PolarHBondContact N-O 2.99Å; C136-F191 HydrophobicContact CB-CD1 3.59Å; C136-F191 HydrophobicContact CB-CE1 3.57Å; C136-F191 WeakPolarHBondContact O-CA 3.3Å; C136-W192 PolarHBondContact O-N 2.97Å
137V98.6Very high98.4Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-114.6114-174.3-173.80000109.5G113 I114 S115 G139 W192 V228 I236G113-V137 WeakPolarHBondContact O-CB 3.42Å; G113-V137 PolarHBondContact O-N 3.24Å; I114-V137 CarbonylContact C-O 3.52Å; I114-V137 VanDerWaalsContact CA-O 3.27Å; I114-V137 WeakPolarHBondContact CA-O 3.48Å; I114-V137 HydrophobicContact CG1-CB 4.07Å; I114-V137 HydrophobicContact CG1-CG1 4.25Å; S115-V137 PolarHBondContact N-O 3.14Å; V137-G139 PolarHBondContact O-N 3.31Å; V137-W192 CarbonylContact C-O 3.59Å; V137-W192 HydrophobicContact CG1-CB 4.38Å; V137-W192 HydrophobicContact CG1-CE3 3.86Å; V137-V228 HydrophobicContact CG1-CG1 4.49Å; V137-V228 HydrophobicContact CG1-CG2 3.41Å; V137-V228 VanDerWaalsContact CG1-CG2 3.41Å; V137-I236 HydrophobicContact CG1-CD1 4.25Å; V137-I236 HydrophobicContact CG2-CD1 3.44Å; V137-I236 VanDerWaalsContact CG2-CD1 3.44Å; V137-I236 HydrophobicContact CG2-CG1 4.14Å
138M97.7Very high98.3Very high5 Ų524.2 Ų24.23%0.02512%0.123CC..SBendtrans52.723.9-173.3-53.3179.5-6000113.8I114 S115 W192 H193 V200 H226 F227 V228I114-M138 HydrophobicContact CG2-CE 3.4Å; S115-M138 WeakPolarHBondContact CA-O 3.34Å; M138-W192 HydrophobicContact CG-CE3 3.66Å; M138-W192 HydrophobicContact CG-CZ3 3.36Å; M138-W192 PolarHBondContact N-O 3.31Å; M138-W192 HydrophobicContact SD-CE3 4.47Å; M138-W192 HydrophobicContact SD-CZ3 3.66Å; M138-H193 VanDerWaalsContact C-CE1 3.43Å; M138-H193 VanDerWaalsContact CA-CE1 3.48Å; M138-H193 WeakPolarHBondContact CA-CE1 3.48Å; M138-H193 WeakPolarHBondContact CA-ND1 3.39Å; M138-V200 WeakPolarHBondContact O-CB 3.44Å; M138-V200 WeakPolarHBondContact O-CG2 3.47Å; M138-H226 HydrophobicContact SD-CB 4.5Å; M138-F227 PolarHBondContact SD-N 3.22Å; M138-V228 HydrophobicContact CE-CG2 3.38Å; M138-V228 HydrophobicContact CG-CG2 4.34Å; M138-V228 HydrophobicContact SD-CG2 3.89Å
139G98.3Very high98.2Very high0 Ų025.6 Ų25.60%013%0.127CC..  trans-92.9-161.5176.600000111.3S115 C136 V137 H193 V200S115-G139 WeakPolarHBondContact O-CA 3.35Å; C136-G139 WeakPolarHBondContact SG-CA 3.26Å; V137-G139 PolarHBondContact O-N 3.31Å; G139-H193 PolarHBondContact O-CE1 3.47Å; G139-H193 PolarHBondContact O-ND1 2.7Å; G139-V200 WeakPolarHBondContact O-CG1 3.48Å
140S98.6Very high98.1Very high0 Ų021.9 Ų21.90%010%0.101CC..  trans-147.3127.7179.1161.70000110.1A142 H204S140-A142 PolarHBondContact O-N 3.03Å; S140-A142 PolarHBondContact OG-N 3.36Å; S140-A142 VanDerWaalsContact OG-N 3.14Å; S140-A142 PolarHBondContact OG-O 3.08Å; S140-H204 WeakPolarHBondContact OG-CB 3.24Å; S140-H204 PolarHBondContact OG-ND1 3.05Å
141P98.6Very high98Very high0 Ų019.1 Ų19.10%09%0.092CC..SBendtrans-75.6-6.5171.632.4-35.1000113.2C122 P143 L177 S178 F191 T205 F208C122-P141 HydrophobicContact CB-CB 4.34Å; P141-P143 WeakPolarHBondContact O-CD 3.35Å; P141-L177 HydrophobicContact CB-CB 4.31Å; P141-L177 HydrophobicContact CB-CD2 4.36Å; P141-L177 PolarHBondContact O-N 2.95Å; P141-S178 PolarHBondContact O-N 3.32Å; P141-F191 HydrophobicContact CB-CE1 4.39Å; P141-F191 HydrophobicContact CB-CZ 4.21Å; P141-F191 HydrophobicContact CG-CE1 4.29Å; P141-F191 HydrophobicContact CG-CZ 4.33Å; P141-T205 WeakPolarHBondContact CD-OG1 3.3Å; P141-F208 HydrophobicContact CB-CB 4.4Å; P141-F208 HydrophobicContact CB-CD1 4.12Å; P141-F208 HydrophobicContact CB-CD2 4.21Å; P141-F208 HydrophobicContact CB-CE1 4.49Å; P141-F208 HydrophobicContact CB-CG 3.98Å; P141-F208 HydrophobicContact CG-CB 3.56Å; P141-F208 HydrophobicContact CG-CD1 3.89Å; P141-F208 HydrophobicContact CG-CD2 4.27Å; P141-F208 HydrophobicContact CG-CG 3.64Å
142A98.7Very high97.9Very high1 Ų124.6 Ų24.61%0.00812%0.119CC..  trans-116.168.1-175.100000112.8S140 I144 K145 Y146 S178 H204S140-A142 PolarHBondContact O-N 3.03Å; S140-A142 PolarHBondContact OG-N 3.36Å; S140-A142 VanDerWaalsContact OG-N 3.14Å; S140-A142 PolarHBondContact OG-O 3.08Å; A142-I144 PolarHBondContact O-N 2.97Å; A142-K145 HydrophobicContact CB-CB 4.04Å; A142-K145 HydrophobicContact CB-CD 3.97Å; A142-K145 HydrophobicContact CB-CG 4.09Å; A142-K145 PolarHBondContact O-N 2.93Å; A142-K145 VanDerWaalsContact O-N 3.15Å; A142-Y146 PolarHBondContact O-N 3.36Å; A142-Y146 VanDerWaalsContact O-N 3.09Å; A142-S178 WeakPolarHBondContact CB-OG 3.42Å; A142-H204 HydrophobicContact CB-CB 4.38Å
143P98.5Very high97.7Very high1 Ų125 Ų251%0.00612%0.119CC..Hα-helixtrans-58.9-27.6-179.824.4-36.1000114.9W82 M123 P141 Y146 R147 L172 D176W82-P143 HydrophobicContact CH2-CB 4.09Å; W82-P143 HydrophobicContact CZ3-CB 4.28Å; M123-P143 HydrophobicContact CE-CB 3.27Å; M123-P143 HydrophobicContact CE-CG 3.65Å; M123-P143 HydrophobicContact CG-CG 4.44Å; P141-P143 WeakPolarHBondContact O-CD 3.35Å; P143-Y146 CarbonylContact O-C 3.6Å; P143-Y146 PolarHBondContact O-N 2.75Å; P143-R147 WeakPolarHBondContact O-CB 3.37Å; P143-R147 PolarHBondContact O-N 2.82Å; P143-L172 HydrophobicContact CB-CD2 4.35Å; P143-D176 VanDerWaalsContact CD-CG 3.41Å; P143-D176 VanDerWaalsContact CD-OD2 3.28Å; P143-D176 WeakPolarHBondContact CD-OD2 3.41Å; P143-D176 HydrophobicContact CG-CB 3.76Å
144I98.3Very high97.4Very high33 Ų3325.2 Ų25.217%0.16912%0.12CC..Hα-helixtrans-64.8-48172.9-67.4168.6000110.4A142 Y146 R147 E148 E173 D176 L179A142-I144 PolarHBondContact O-N 2.97Å; I144-Y146 PolarHBondContact O-N 2.95Å; I144-R147 WeakPolarHBondContact O-CB 3.1Å; I144-R147 PolarHBondContact O-N 2.79Å; I144-R147 VanDerWaalsContact O-N 3.13Å; I144-E148 WeakPolarHBondContact O-CG 3.48Å; I144-E148 PolarHBondContact O-N 3.05Å; I144-E173 HydrophobicContact CD1-CB 4.42Å; I144-E173 HydrophobicContact CD1-CG 3.72Å; I144-E173 HydrophobicContact CG1-CG 4.41Å; I144-D176 VanDerWaalsContact CB-OD2 3.26Å; I144-D176 WeakPolarHBondContact CB-OD2 3.33Å; I144-D176 HydrophobicContact CD1-CB 3.99Å; I144-D176 HydrophobicContact CG1-CB 4.17Å; I144-D176 VanDerWaalsContact CG1-OD2 3.28Å; I144-D176 WeakPolarHBondContact CG1-OD2 3.43Å; I144-D176 PolarHBondContact N-OD2 2.64Å; I144-L179 HydrophobicContact CD1-CD1 3.39Å; I144-L179 HydrophobicContact CD1-CG 4.17Å
145K98.3Very high97.2Very high88 Ų8827.7 Ų27.738%0.38315%0.146SC..Hα-helixtrans-58-38.7175-70.4-174.6176.8178.10110.6A142 E148 R149 D207A142-K145 HydrophobicContact CB-CB 4.04Å; A142-K145 HydrophobicContact CB-CD 3.97Å; A142-K145 HydrophobicContact CB-CG 4.09Å; A142-K145 PolarHBondContact O-N 2.93Å; A142-K145 VanDerWaalsContact O-N 3.15Å; K145-E148 PolarHBondContact O-N 2.78Å; K145-R149 WeakPolarHBondContact O-CB 3.48Å; K145-R149 PolarHBondContact O-N 3.2Å; K145-D207 IonicContact NZ-OD2 3.18Å; K145-D207 PolarHBondContact NZ-OD2 3.4Å
146Y98.1Very high97Very high32 Ų3234.3 Ų34.313%0.12518%0.177CC..Hα-helixtrans-67.5-40.6176.1-162.3-107000113.1F81 W82 I119 A142 P143 I144 E148 R149 I150 K199 V200 H204F81-Y146 HydrophobicContact CD1-CE1 4.48Å; F81-Y146 AromaticContact CE1-CD1 3.9Å; F81-Y146 HydrophobicContact CE1-CD1 3.9Å; F81-Y146 AromaticContact CE1-CE1 3.56Å; F81-Y146 HydrophobicContact CE1-CE1 3.56Å; F81-Y146 HydrophobicContact CE2-CE1 4.48Å; F81-Y146 HydrophobicContact CZ-CD1 4.17Å; F81-Y146 AromaticContact CZ-CE1 3.55Å; F81-Y146 HydrophobicContact CZ-CE1 3.55Å; W82-Y146 AromaticContact CH2-CD1 3.95Å; W82-Y146 HydrophobicContact CH2-CD1 3.95Å; W82-Y146 HydrophobicContact CZ2-CD1 4.15Å; I119-Y146 HydrophobicContact CD1-CD1 4.23Å; I119-Y146 HydrophobicContact CD1-CE1 4.26Å; A142-Y146 PolarHBondContact O-N 3.36Å; A142-Y146 VanDerWaalsContact O-N 3.09Å; P143-Y146 CarbonylContact O-C 3.6Å; P143-Y146 PolarHBondContact O-N 2.75Å; I144-Y146 PolarHBondContact O-N 2.95Å; Y146-E148 PolarHBondContact O-N 2.81Å; Y146-R149 WeakPolarHBondContact O-CB 3.44Å; Y146-R149 PolarHBondContact O-N 3.06Å; Y146-I150 HydrophobicContact CD1-CD1 3.65Å; Y146-I150 HydrophobicContact CD1-CG1 4.33Å; Y146-I150 HydrophobicContact CE1-CD1 3.55Å; Y146-I150 HydrophobicContact CE1-CG1 4.15Å; Y146-I150 WeakPolarHBondContact O-CG1 3.27Å; Y146-I150 PolarHBondContact O-N 2.91Å; Y146-K199 PolarHBondContact OH-O 2.99Å; Y146-V200 HydrophobicContact CE2-CG1 4.41Å; Y146-V200 HydrophobicContact CE2-CG2 4.21Å; Y146-H204 PolarHBondContact N-CE1 3.24Å
147R97.4Very high96.8Very high12 Ų1240.2 Ų40.25%0.04521%0.208CC..Hα-helixtrans-56.2-49.8171.3177.3-165.563.7-158.12.9111.2W82 P143 I144 R149 I150 A151 Y165 T169 L172 E173W82-R147 HydrophobicContact CZ2-CB 3.91Å; P143-R147 WeakPolarHBondContact O-CB 3.37Å; P143-R147 PolarHBondContact O-N 2.82Å; I144-R147 WeakPolarHBondContact O-CB 3.1Å; I144-R147 PolarHBondContact O-N 2.79Å; I144-R147 VanDerWaalsContact O-N 3.13Å; R147-R149 VanDerWaalsContact C-N 3.31Å; R147-R149 PolarHBondContact O-N 2.79Å; R147-I150 PolarHBondContact O-N 3.13Å; R147-A151 PolarHBondContact O-N 3.4Å; R147-Y165 HydrophobicContact CG-CD1 4.46Å; R147-Y165 HydrophobicContact CG-CE1 3.49Å; R147-Y165 VanDerWaalsContact CG-CE1 3.49Å; R147-Y165 WeakPolarHBondContact CG-OH 3.46Å; R147-T169 WeakPolarHBondContact CD-OG1 3.43Å; R147-L172 HydrophobicContact CB-CD1 3.89Å; R147-L172 HydrophobicContact CG-CD1 4.2Å; R147-E173 IonicContact CZ-OE1 2.71Å; R147-E173 IonicContact NH1-OE1 3.23Å; R147-E173 PolarHBondContact NH1-OE1 3.35Å; R147-E173 IonicContact NH2-OE1 3.79Å
148E97.3Very high96.5Very high50 Ų5043.4 Ų43.423%0.23424%0.24CC..Hα-helixtrans-64.7-37.2-179.9-61.7-50.8136.500111.5I144 K145 Y146 A151 M152 R166I144-E148 WeakPolarHBondContact O-CG 3.48Å; I144-E148 PolarHBondContact O-N 3.05Å; K145-E148 PolarHBondContact O-N 2.78Å; Y146-E148 PolarHBondContact O-N 2.81Å; E148-A151 PolarHBondContact O-N 2.97Å; E148-M152 WeakPolarHBondContact O-CB 3.45Å; E148-M152 PolarHBondContact O-N 3.26Å; E148-R166 IonicContact OE1-CZ 3.03Å; E148-R166 IonicContact OE1-NE 3.49Å; E148-R166 PolarHBondContact OE1-NE 3.09Å; E148-R166 IonicContact OE1-NH2 2.95Å; E148-R166 IonicContact OE2-CZ 2.77Å; E148-R166 IonicContact OE2-NE 3.77Å; E148-R166 PolarHBondContact OE2-NE 3.16Å; E148-R166 IonicContact OE2-NH2 2.75Å; E148-R166 PolarHBondContact OE2-NH2 3.49Å
149R96.2Very high96.3Very high58 Ų5848.6 Ų48.622%0.21926%0.263CS..Hα-helixtrans-58.6-49.4171.8-177.3-178.6-178.9-152.52111.1K145 Y146 R147 A151 M152 H153 E198 K199 P201K145-R149 WeakPolarHBondContact O-CB 3.48Å; K145-R149 PolarHBondContact O-N 3.2Å; Y146-R149 WeakPolarHBondContact O-CB 3.44Å; Y146-R149 PolarHBondContact O-N 3.06Å; R147-R149 VanDerWaalsContact C-N 3.31Å; R147-R149 PolarHBondContact O-N 2.79Å; R149-A151 VanDerWaalsContact C-N 3.28Å; R149-A151 PolarHBondContact O-N 2.81Å; R149-M152 PolarHBondContact O-N 2.86Å; R149-H153 WeakPolarHBondContact CG-CE1 3.31Å; R149-H153 WeakPolarHBondContact CG-ND1 3.38Å; R149-H153 PolarHBondContact NE-CE1 2.88Å; R149-H153 PolarHBondContact O-N 2.9Å; R149-H153 PolarHBondContact O-ND1 3.25Å; R149-E198 PolarHBondContact NH2-O 3.2Å; R149-K199 PolarHBondContact NH1-O 3.13Å; R149-P201 VanDerWaalsContact NH1-CD 3.26Å
150I94.9Very high96.1Very high30 Ų3055.9 Ų55.915%0.15429%0.292CS..Hα-helixtrans-61-41.2178.6-64159.8000110.6P77 F81 W82 Y146 R147 M152 H153 A154P77-I150 HydrophobicContact CB-CG2 4.31Å; F81-I150 HydrophobicContact CD1-CD1 4.39Å; F81-I150 HydrophobicContact CE1-CD1 4.46Å; W82-I150 HydrophobicContact CZ2-CD1 4.06Å; Y146-I150 HydrophobicContact CD1-CD1 3.65Å; Y146-I150 HydrophobicContact CD1-CG1 4.33Å; Y146-I150 HydrophobicContact CE1-CD1 3.55Å; Y146-I150 HydrophobicContact CE1-CG1 4.15Å; Y146-I150 WeakPolarHBondContact O-CG1 3.27Å; Y146-I150 PolarHBondContact O-N 2.91Å; R147-I150 PolarHBondContact O-N 3.13Å; I150-M152 PolarHBondContact O-N 2.93Å; I150-H153 PolarHBondContact O-N 3.31Å; I150-A154 VanDerWaalsContact O-CB 3.29Å; I150-A154 WeakPolarHBondContact O-CB 3.45Å; I150-A154 PolarHBondContact O-N 3Å
151A95.9Very high95.8Very high24 Ų2457.7 Ų57.720%0.19830%0.301CS..Hα-helixtrans-60.2-44.2177.400000112.8R147 E148 R149 A154 G155 L161 Y165R147-A151 PolarHBondContact O-N 3.4Å; E148-A151 PolarHBondContact O-N 2.97Å; R149-A151 VanDerWaalsContact C-N 3.28Å; R149-A151 PolarHBondContact O-N 2.81Å; A151-A154 PolarHBondContact O-N 2.91Å; A151-G155 PolarHBondContact O-N 2.97Å; A151-L161 HydrophobicContact CB-CD1 4.03Å; A151-Y165 HydrophobicContact CB-CD1 4.24Å; A151-Y165 HydrophobicContact CB-CE1 3.92Å
152M95.7Very high95.6Very high115 Ų11558.8 Ų58.857%0.56731%0.308SS*.Hα-helixtrans-60.3-52176.8-176.9-172.7-6200111.5E148 R149 I150 A154 G155 E156E148-M152 WeakPolarHBondContact O-CB 3.45Å; E148-M152 PolarHBondContact O-N 3.26Å; R149-M152 PolarHBondContact O-N 2.86Å; I150-M152 PolarHBondContact O-N 2.93Å; M152-A154 VanDerWaalsContact C-N 3.32Å; M152-A154 PolarHBondContact O-N 3.2Å; M152-G155 PolarHBondContact O-N 3.42Å; M152-G155 VanDerWaalsContact O-N 3.14Å; M152-E156 WeakPolarHBondContact O-CG 3.35Å; M152-E156 PolarHBondContact O-N 3.28Å
153H94.3Very high95.4Very high75 Ų7569 Ų6935%0.34735%0.353SS..Hα-helixtrans-64.5-37.3-179-69.470.7000111.7R149 I150 G155 E156 L157R149-H153 WeakPolarHBondContact CG-CE1 3.31Å; R149-H153 WeakPolarHBondContact CG-ND1 3.38Å; R149-H153 PolarHBondContact NE-CE1 2.88Å; R149-H153 PolarHBondContact O-N 2.9Å; R149-H153 PolarHBondContact O-ND1 3.25Å; I150-H153 PolarHBondContact O-N 3.31Å; H153-G155 VanDerWaalsContact C-N 3.34Å; H153-E156 PolarHBondContact O-N 3.17Å; H153-L157 WeakPolarHBondContact O-CB 3.3Å; H153-L157 WeakPolarHBondContact O-CG 3.2Å; H153-L157 PolarHBondContact O-N 2.96Å; H153-L157 VanDerWaalsContact O-N 3.09Å
154A93.9Very high95.3Very high4 Ų472.6 Ų72.63%0.03337%0.372CS..Hα-helixtrans-62-43.1174.500000111.6P77 I150 A151 M152 L157 G158 F159 L161P77-A154 HydrophobicContact CB-CB 4.09Å; P77-A154 HydrophobicContact CG-CB 3.91Å; I150-A154 VanDerWaalsContact O-CB 3.29Å; I150-A154 WeakPolarHBondContact O-CB 3.45Å; I150-A154 PolarHBondContact O-N 3Å; A151-A154 PolarHBondContact O-N 2.91Å; M152-A154 VanDerWaalsContact C-N 3.32Å; M152-A154 PolarHBondContact O-N 3.2Å; A154-L157 PolarHBondContact O-N 3.23Å; A154-G158 PolarHBondContact O-N 3.05Å; A154-G158 VanDerWaalsContact O-N 3.11Å; A154-F159 HydrophobicContact CB-CB 4.18Å; A154-F159 PolarHBondContact O-N 2.65Å; A154-L161 HydrophobicContact CB-CD1 3.64Å; A154-L161 HydrophobicContact CB-CG 4.04Å
155G93.5Very high95.2Very high53 Ų5371.9 Ų71.955%0.54637%0.367SS..Hα-helixtrans-63.2-45.517600000113.1A151 M152 H153 L157 G158A151-G155 PolarHBondContact O-N 2.97Å; M152-G155 PolarHBondContact O-N 3.42Å; M152-G155 VanDerWaalsContact O-N 3.14Å; H153-G155 VanDerWaalsContact C-N 3.34Å; G155-L157 VanDerWaalsContact C-N 3.29Å; G155-L157 PolarHBondContact O-N 3.32Å; G155-G158 PolarHBondContact O-N 3.44Å; G155-G158 VanDerWaalsContact O-N 3.15Å
156E94.8Very high95.1Very high139 Ų13974.4 Ų74.465%0.6537%0.374SS*.Hα-helixtrans-61.5-36.3178-72.2175.5170.600112.8M152 H153 G158M152-E156 WeakPolarHBondContact O-CG 3.35Å; M152-E156 PolarHBondContact O-N 3.28Å; H153-E156 PolarHBondContact O-N 3.17Å; E156-G158 VanDerWaalsContact C-N 3.34Å
157L94.2Very high95.1Very high124 Ų12479 Ų7965%0.64940%0.396SS*.THydrogen-bonded Turntrans-88.40.5179-64.3173.8000113.4H153 A154 G155 F159H153-L157 WeakPolarHBondContact O-CB 3.3Å; H153-L157 WeakPolarHBondContact O-CG 3.2Å; H153-L157 PolarHBondContact O-N 2.96Å; H153-L157 VanDerWaalsContact O-N 3.09Å; A154-L157 PolarHBondContact O-N 3.23Å; G155-L157 VanDerWaalsContact C-N 3.29Å; G155-L157 PolarHBondContact O-N 3.32Å; L157-F159 VanDerWaalsContact C-N 3.3Å; L157-F159 HydrophobicContact CB-CD2 3.57Å; L157-F159 HydrophobicContact CB-CE2 3.59Å; L157-F159 HydrophobicContact CD1-CD2 4.25Å; L157-F159 HydrophobicContact CD1-CE2 3.76Å; L157-F159 HydrophobicContact CG-CE2 4.32Å; L157-F159 PolarHBondContact O-N 2.76Å
158G93.1Very high95Very high67 Ų6783.2 Ų83.269%0.69142%0.419SS*.THydrogen-bonded Turntrans7120.3179.200000114.6A154 G155 E156A154-G158 PolarHBondContact O-N 3.05Å; A154-G158 VanDerWaalsContact O-N 3.11Å; G155-G158 PolarHBondContact O-N 3.44Å; G155-G158 VanDerWaalsContact O-N 3.15Å; E156-G158 VanDerWaalsContact C-N 3.34Å
159F94.3Very high95Very high114 Ų11481.2 Ų81.250%0.541%0.411SS..  trans-74.1143.7174.5-69.8-63.2000111.4P77 A154 L157 L161P77-F159 HydrophobicContact CG-CB 3.61Å; P77-F159 HydrophobicContact CG-CG 4.14Å; A154-F159 HydrophobicContact CB-CB 4.18Å; A154-F159 PolarHBondContact O-N 2.65Å; L157-F159 VanDerWaalsContact C-N 3.3Å; L157-F159 HydrophobicContact CB-CD2 3.57Å; L157-F159 HydrophobicContact CB-CE2 3.59Å; L157-F159 HydrophobicContact CD1-CD2 4.25Å; L157-F159 HydrophobicContact CD1-CE2 3.76Å; L157-F159 HydrophobicContact CG-CE2 4.32Å; L157-F159 PolarHBondContact O-N 2.76Å; F159-L161 PolarHBondContact O-N 2.96Å
160Y92.9Very high95.1Very high154 Ų15481 Ų8160%0.60442%0.419SS*.  trans-66133.7174.5172-94.3000111.2P77 P162P77-Y160 VanDerWaalsContact CD-O 3.23Å; P77-Y160 WeakPolarHBondContact CD-O 3.47Å; Y160-P162 HydrophobicContact CE1-CG 4.09Å
161L93.6Very high95.2Very high37 Ų3782.1 Ų82.119%0.19442%0.421CS..  trans-127.4143.3162.6-79.1174.6000110.2P77 A151 A154 F159 Y165P77-L161 HydrophobicContact CB-CD2 4.18Å; P77-L161 HydrophobicContact CG-CD2 4.37Å; A151-L161 HydrophobicContact CB-CD1 4.03Å; A154-L161 HydrophobicContact CB-CD1 3.64Å; A154-L161 HydrophobicContact CB-CG 4.04Å; F159-L161 PolarHBondContact O-N 2.96Å; L161-Y165 HydrophobicContact CD1-CD1 4.44Å; L161-Y165 HydrophobicContact CD2-CD2 4.11Å; L161-Y165 HydrophobicContact CD2-CE2 4.24Å; L161-Y165 HydrophobicContact CD2-CG 4.32Å
162P94.1Very high95.3Very high23 Ų2381 Ų8115%0.14941%0.411CS..  trans-56.4143.2171.6-23.133.2000111.7Y160 D164 Y165 L168Y160-P162 HydrophobicContact CE1-CG 4.09Å; P162-D164 VanDerWaalsContact CB-OD1 3.28Å; P162-D164 WeakPolarHBondContact CB-OD1 3.47Å; P162-D164 PolarHBondContact O-N 3.16Å; P162-Y165 VanDerWaalsContact O-CB 3.27Å; P162-Y165 WeakPolarHBondContact O-CB 3.5Å; P162-Y165 PolarHBondContact O-N 2.96Å; P162-Y165 VanDerWaalsContact O-N 3.07Å; P162-L168 HydrophobicContact CB-CD1 3.72Å; P162-L168 HydrophobicContact CG-CD1 3.89Å
163K94.7Very high95.5Very high217 Ų21779.5 Ų79.594%0.94340%0.403SS*.THydrogen-bonded Turntrans-61.7-27.4178.3-68.7-177.4178.2179.20112.5
164D96.1Very high95.7Very high75 Ų7578.4 Ų78.440%0.40141%0.407SS..THydrogen-bonded Turntrans-101.222.3178.962.3-29.3000112.5P162 R166 Q167 L168P162-D164 VanDerWaalsContact CB-OD1 3.28Å; P162-D164 WeakPolarHBondContact CB-OD1 3.47Å; P162-D164 PolarHBondContact O-N 3.16Å; D164-R166 PolarHBondContact O-N 3.18Å; D164-R166 VanDerWaalsContact O-N 3.12Å; D164-Q167 HydrophobicContact CB-CB 4.33Å; D164-Q167 WeakPolarHBondContact O-CA 3.48Å; D164-Q167 WeakPolarHBondContact O-CB 3.47Å; D164-Q167 PolarHBondContact O-N 2.85Å; D164-Q167 PolarHBondContact O-OE1 3.25Å; D164-L168 PolarHBondContact O-N 2.91Å
165Y96.1Very high95.9Very high19 Ų1981.1 Ų81.18%0.07542%0.417CS..Hα-helixtrans-50.2-40.5-178174.2-118.4000113.7S78 W82 R147 A151 L161 P162 L168 T169S78-Y165 VanDerWaalsContact OG-CE2 3.24Å; S78-Y165 WeakPolarHBondContact OG-CE2 3.41Å; S78-Y165 PolarHBondContact OG-OH 3.14Å; W82-Y165 PolarHBondContact NE1-OH 3.44Å; R147-Y165 HydrophobicContact CG-CD1 4.46Å; R147-Y165 HydrophobicContact CG-CE1 3.49Å; R147-Y165 VanDerWaalsContact CG-CE1 3.49Å; R147-Y165 WeakPolarHBondContact CG-OH 3.46Å; A151-Y165 HydrophobicContact CB-CD1 4.24Å; A151-Y165 HydrophobicContact CB-CE1 3.92Å; L161-Y165 HydrophobicContact CD1-CD1 4.44Å; L161-Y165 HydrophobicContact CD2-CD2 4.11Å; L161-Y165 HydrophobicContact CD2-CE2 4.24Å; L161-Y165 HydrophobicContact CD2-CG 4.32Å; P162-Y165 VanDerWaalsContact O-CB 3.27Å; P162-Y165 WeakPolarHBondContact O-CB 3.5Å; P162-Y165 PolarHBondContact O-N 2.96Å; P162-Y165 VanDerWaalsContact O-N 3.07Å; Y165-L168 PolarHBondContact O-N 3.18Å; Y165-T169 HydrophobicContact CD2-CG2 4.15Å; Y165-T169 HydrophobicContact CE2-CG2 3.73Å; Y165-T169 PolarHBondContact O-N 3.06Å; Y165-T169 VanDerWaalsContact O-N 3.13Å; Y165-T169 PolarHBondContact O-OG1 2.96Å
166R96Very high96.1Very high141 Ų14178.7 Ų78.753%0.53239%0.391SS..Hα-helixtrans-65-38.8176.5-73-173.1174.1175.84112.3E148 D164 T169 S170E148-R166 IonicContact OE1-CZ 3.03Å; E148-R166 IonicContact OE1-NE 3.49Å; E148-R166 PolarHBondContact OE1-NE 3.09Å; E148-R166 IonicContact OE1-NH2 2.95Å; E148-R166 IonicContact OE2-CZ 2.77Å; E148-R166 IonicContact OE2-NE 3.77Å; E148-R166 PolarHBondContact OE2-NE 3.16Å; E148-R166 IonicContact OE2-NH2 2.75Å; E148-R166 PolarHBondContact OE2-NH2 3.49Å; D164-R166 PolarHBondContact O-N 3.18Å; D164-R166 VanDerWaalsContact O-N 3.12Å; R166-T169 CarbonylContact O-C 3.45Å; R166-T169 PolarHBondContact O-N 3.31Å; R166-T169 PolarHBondContact O-OG1 3.43Å; R166-S170 PolarHBondContact O-N 2.81Å
167Q97.2Very high96.3Very high127 Ų12772.1 Ų72.159%0.59336%0.361SS*.Hα-helixtrans-68.8-43.4176.2-70.87315.400111.3D164 T169 S170D164-Q167 HydrophobicContact CB-CB 4.33Å; D164-Q167 WeakPolarHBondContact O-CA 3.48Å; D164-Q167 WeakPolarHBondContact O-CB 3.47Å; D164-Q167 PolarHBondContact O-N 2.85Å; D164-Q167 PolarHBondContact O-OE1 3.25Å; Q167-T169 PolarHBondContact O-N 3.12Å; Q167-S170 WeakPolarHBondContact O-CB 3.17Å; Q167-S170 PolarHBondContact O-N 2.69Å; Q167-S170 VanDerWaalsContact O-N 3.16Å; Q167-S170 PolarHBondContact O-OG 2.77Å
168L96.8Very high96.5Very high101 Ų10167.8 Ų67.853%0.52934%0.341SS..Hα-helixtrans-61.3-26177-68.8171.2000113P162 D164 Y165P162-L168 HydrophobicContact CB-CD1 3.72Å; P162-L168 HydrophobicContact CG-CD1 3.89Å; D164-L168 PolarHBondContact O-N 2.91Å; Y165-L168 PolarHBondContact O-N 3.18Å
169T97.1Very high96.7Very high8 Ų869.7 Ų69.75%0.04933%0.334CS..THydrogen-bonded Turntrans-112.319.1179.356.30000112.9R147 Y165 R166 Q167 W171 L172R147-T169 WeakPolarHBondContact CD-OG1 3.43Å; Y165-T169 HydrophobicContact CD2-CG2 4.15Å; Y165-T169 HydrophobicContact CE2-CG2 3.73Å; Y165-T169 PolarHBondContact O-N 3.06Å; Y165-T169 VanDerWaalsContact O-N 3.13Å; Y165-T169 PolarHBondContact O-OG1 2.96Å; R166-T169 CarbonylContact O-C 3.45Å; R166-T169 PolarHBondContact O-N 3.31Å; R166-T169 PolarHBondContact O-OG1 3.43Å; Q167-T169 PolarHBondContact O-N 3.12Å; T169-W171 PolarHBondContact O-N 2.93Å; T169-L172 VanDerWaalsContact O-CB 3.3Å; T169-L172 WeakPolarHBondContact O-CB 3.34Å; T169-L172 WeakPolarHBondContact O-CG 3.23Å; T169-L172 PolarHBondContact O-N 2.74Å; T169-L172 VanDerWaalsContact O-N 3.14Å
170S97.7Very high96.9Very high55 Ų5565 Ų6539%0.38532%0.317SS..G310 helixtrans-65.5-24.4-179.154.60000113.2R166 Q167 L172 E173R166-S170 PolarHBondContact O-N 2.81Å; Q167-S170 WeakPolarHBondContact O-CB 3.17Å; Q167-S170 PolarHBondContact O-N 2.69Å; Q167-S170 VanDerWaalsContact O-N 3.16Å; Q167-S170 PolarHBondContact O-OG 2.77Å; S170-L172 PolarHBondContact O-N 2.99Å; S170-E173 VanDerWaalsContact C-OE2 3.29Å; S170-E173 WeakPolarHBondContact CA-OE2 3.3Å; S170-E173 VanDerWaalsContact CB-OE2 3.24Å; S170-E173 WeakPolarHBondContact CB-OE2 3.47Å; S170-E173 WeakPolarHBondContact O-CB 3.43Å; S170-E173 PolarHBondContact O-N 3.01Å
171W97.8Very high97.1Very high52 Ų5258.6 Ų58.620%0.19729%0.294CS..G310 helixtrans-57.1-24.817466.2-96.2000112.8W82 I85 Q86 L89 M123 T169 E173 A174 Y175W82-W171 HydrophobicContact CB-CZ2 4.07Å; W82-W171 HydrophobicContact CE3-CH2 4.44Å; I85-W171 HydrophobicContact CG2-CH2 4.36Å; Q86-W171 HydrophobicContact CB-CH2 3.84Å; Q86-W171 HydrophobicContact CB-CZ2 3.92Å; Q86-W171 HydrophobicContact CB-CZ3 4.46Å; Q86-W171 HydrophobicContact CG-CH2 4.29Å; Q86-W171 HydrophobicContact CG-CZ2 4.31Å; L89-W171 HydrophobicContact CD1-CZ3 3.83Å; M123-W171 HydrophobicContact CE-CZ3 4.4Å; M123-W171 HydrophobicContact SD-CZ3 4.3Å; T169-W171 PolarHBondContact O-N 2.93Å; W171-E173 PolarHBondContact O-N 3.4Å; W171-A174 PolarHBondContact O-N 2.86Å; W171-Y175 HydrophobicContact CE3-CD2 4.01Å; W171-Y175 HydrophobicContact CE3-CE2 4.49Å; W171-Y175 HydrophobicContact CZ3-CD2 4.42Å; W171-Y175 WeakPolarHBondContact O-CD2 3.38Å
172L98.5Very high97.3Very high0 Ų062.9 Ų62.90%031%0.313CS..G310 helixtrans-57.8-30.4175.3-63.6176.1000112.6W82 M123 P143 R147 T169 S170 A174 Y175 D176W82-L172 HydrophobicContact CD2-CD1 4.25Å; W82-L172 HydrophobicContact CD2-CD2 4.16Å; W82-L172 HydrophobicContact CE3-CD1 4.4Å; W82-L172 HydrophobicContact CE3-CD2 3.63Å; W82-L172 HydrophobicContact CH2-CD1 4.03Å; W82-L172 HydrophobicContact CH2-CD2 4.13Å; W82-L172 HydrophobicContact CZ2-CD1 3.85Å; W82-L172 HydrophobicContact CZ3-CD1 4.31Å; W82-L172 HydrophobicContact CZ3-CD2 3.62Å; M123-L172 HydrophobicContact CE-CD2 3.51Å; P143-L172 HydrophobicContact CB-CD2 4.35Å; R147-L172 HydrophobicContact CB-CD1 3.89Å; R147-L172 HydrophobicContact CG-CD1 4.2Å; T169-L172 VanDerWaalsContact O-CB 3.3Å; T169-L172 WeakPolarHBondContact O-CB 3.34Å; T169-L172 WeakPolarHBondContact O-CG 3.23Å; T169-L172 PolarHBondContact O-N 2.74Å; T169-L172 VanDerWaalsContact O-N 3.14Å; S170-L172 PolarHBondContact O-N 2.99Å; L172-A174 PolarHBondContact O-N 3.49Å; L172-Y175 CarbonylContact O-C 3.23Å; L172-Y175 PolarHBondContact O-N 3.1Å; L172-D176 PolarHBondContact O-N 3.23Å
173E98.1Very high97.5Very high84 Ų8465.1 Ų65.139%0.39332%0.321SS..G310 helixtrans-61.2-33.2-179.9-72.8106-141.700112.7I144 R147 S170 W171 Y175I144-E173 HydrophobicContact CD1-CB 4.42Å; I144-E173 HydrophobicContact CD1-CG 3.72Å; I144-E173 HydrophobicContact CG1-CG 4.41Å; R147-E173 IonicContact CZ-OE1 2.71Å; R147-E173 IonicContact NH1-OE1 3.23Å; R147-E173 PolarHBondContact NH1-OE1 3.35Å; R147-E173 IonicContact NH2-OE1 3.79Å; S170-E173 VanDerWaalsContact C-OE2 3.29Å; S170-E173 WeakPolarHBondContact CA-OE2 3.3Å; S170-E173 VanDerWaalsContact CB-OE2 3.24Å; S170-E173 WeakPolarHBondContact CB-OE2 3.47Å; S170-E173 WeakPolarHBondContact O-CB 3.43Å; S170-E173 PolarHBondContact O-N 3.01Å; W171-E173 PolarHBondContact O-N 3.4Å; E173-Y175 VanDerWaalsContact C-N 3.27Å; E173-Y175 PolarHBondContact O-N 2.88Å
174A98.2Very high97.7Very high53 Ų5354.9 Ų54.944%0.43828%0.276SS..G310 helixtrans-76.4-1517600000113.4T126 Q127 W171 L172T126-A174 PolarHBondContact OG1-O 2.88Å; Q127-A174 PolarHBondContact NE2-O 3.24Å; W171-A174 PolarHBondContact O-N 2.86Å; L172-A174 PolarHBondContact O-N 3.49Å
175Y98.7Very high97.7Very high61 Ų6154.9 Ų54.924%0.23929%0.286CS..THydrogen-bonded Turntrans-116.13.4-176.2-68.6-89.3000113.4L89 M123 T126 Q127 W171 L172 E173 L177L89-Y175 HydrophobicContact CD1-CD1 3.72Å; L89-Y175 HydrophobicContact CD1-CD2 4.37Å; L89-Y175 HydrophobicContact CD1-CE1 3.8Å; L89-Y175 HydrophobicContact CD1-CE2 4.46Å; L89-Y175 HydrophobicContact CD1-CG 4.01Å; L89-Y175 HydrophobicContact CD2-CD1 4.37Å; L89-Y175 HydrophobicContact CD2-CE1 4.44Å; L89-Y175 HydrophobicContact CG-CE1 4.49Å; M123-Y175 WeakPolarHBondContact CA-O 3.13Å; M123-Y175 HydrophobicContact CB-CD1 4.18Å; M123-Y175 WeakPolarHBondContact CG-O 3.18Å; T126-Y175 WeakPolarHBondContact OG1-CA 3.49Å; Q127-Y175 HydrophobicContact CB-CE1 4Å; Q127-Y175 HydrophobicContact CG-CD1 3.8Å; Q127-Y175 HydrophobicContact CG-CE1 3.3Å; W171-Y175 HydrophobicContact CE3-CD2 4.01Å; W171-Y175 HydrophobicContact CE3-CE2 4.49Å; W171-Y175 HydrophobicContact CZ3-CD2 4.42Å; W171-Y175 WeakPolarHBondContact O-CD2 3.38Å; L172-Y175 CarbonylContact O-C 3.23Å; L172-Y175 PolarHBondContact O-N 3.1Å; E173-Y175 VanDerWaalsContact C-N 3.27Å; E173-Y175 PolarHBondContact O-N 2.88Å; Y175-L177 PolarHBondContact O-N 2.78Å
176D98.7Very high97.8Very high2 Ų256.5 Ų56.51%0.01131%0.309CS..  trans-79.9100.6175.9-163.8-47.6000110.4P143 I144 L172 S178 L179 A180P143-D176 VanDerWaalsContact CD-CG 3.41Å; P143-D176 VanDerWaalsContact CD-OD2 3.28Å; P143-D176 WeakPolarHBondContact CD-OD2 3.41Å; P143-D176 HydrophobicContact CG-CB 3.76Å; I144-D176 VanDerWaalsContact CB-OD2 3.26Å; I144-D176 WeakPolarHBondContact CB-OD2 3.33Å; I144-D176 HydrophobicContact CD1-CB 3.99Å; I144-D176 HydrophobicContact CG1-CB 4.17Å; I144-D176 VanDerWaalsContact CG1-OD2 3.28Å; I144-D176 WeakPolarHBondContact CG1-OD2 3.43Å; I144-D176 PolarHBondContact N-OD2 2.64Å; L172-D176 PolarHBondContact O-N 3.23Å; D176-S178 PolarHBondContact O-N 2.98Å; D176-S178 WeakPolarHBondContact OD1-CA 3.5Å; D176-S178 VanDerWaalsContact OD1-CB 3.27Å; D176-S178 WeakPolarHBondContact OD1-CB 3.46Å; D176-S178 PolarHBondContact OD1-N 3.43Å; D176-S178 PolarHBondContact OD1-OG 3.18Å; D176-L179 HydrophobicContact CB-CB 4.33Å; D176-L179 HydrophobicContact CB-CD1 4.13Å; D176-L179 HydrophobicContact CB-CG 3.94Å; D176-L179 WeakPolarHBondContact O-CB 3.3Å; D176-L179 PolarHBondContact O-N 2.88Å; D176-L179 PolarHBondContact OD1-N 2.95Å; D176-A180 PolarHBondContact O-N 3.18Å
177L98.6Very high97.9Very high0 Ų051.1 Ų51.10%029%0.289CS..G310 helixtrans-60.9-27.3179.3-174.563.4000112C122 L125 T126 P141 Y175 L179 A180 P181 K183 V184 L189 F208C122-L177 HydrophobicContact CB-CB 4.4Å; C122-L177 HydrophobicContact CB-CD2 4.1Å; L125-L177 HydrophobicContact CB-CD1 4.38Å; L125-L177 HydrophobicContact CB-CD2 4.46Å; L125-L177 HydrophobicContact CD1-CD2 4.12Å; T126-L177 HydrophobicContact CG2-CB 3.93Å; T126-L177 HydrophobicContact CG2-CD1 3.96Å; P141-L177 HydrophobicContact CB-CB 4.31Å; P141-L177 HydrophobicContact CB-CD2 4.36Å; P141-L177 PolarHBondContact O-N 2.95Å; Y175-L177 PolarHBondContact O-N 2.78Å; L177-L179 PolarHBondContact O-N 3.1Å; L177-A180 CarbonylContact O-C 3.51Å; L177-A180 VanDerWaalsContact O-C 3.23Å; L177-A180 PolarHBondContact O-N 3.37Å; L177-P181 WeakPolarHBondContact O-CA 3.37Å; L177-P181 VanDerWaalsContact O-N 3.13Å; L177-K183 HydrophobicContact CD1-CB 4.46Å; L177-V184 HydrophobicContact CD1-CG2 4.08Å; L177-V184 HydrophobicContact CD2-CG2 4.21Å; L177-V184 HydrophobicContact CG-CG2 4.45Å; L177-L189 HydrophobicContact CD2-CD2 4.32Å; L177-F208 HydrophobicContact CD2-CZ 4.1Å; L177-F208 HydrophobicContact CG-CE2 4.15Å; L177-F208 HydrophobicContact CG-CZ 4Å
178S98.3Very high97.9Very high33 Ų3346.5 Ų46.523%0.23127%0.27CS..G310 helixtrans-70.4-17175.980.60000114P141 A142 D176P141-S178 PolarHBondContact O-N 3.32Å; A142-S178 WeakPolarHBondContact CB-OG 3.42Å; D176-S178 PolarHBondContact O-N 2.98Å; D176-S178 WeakPolarHBondContact OD1-CA 3.5Å; D176-S178 VanDerWaalsContact OD1-CB 3.27Å; D176-S178 WeakPolarHBondContact OD1-CB 3.46Å; D176-S178 PolarHBondContact OD1-N 3.43Å; D176-S178 PolarHBondContact OD1-OG 3.18Å
179L98.1Very high98Very high107 Ų10741.7 Ų41.756%0.5625%0.245SC*.G310 helixtrans-90.2-15.8170.9-62-170.2000113.9I144 D176 L177 P181I144-L179 HydrophobicContact CD1-CD1 3.39Å; I144-L179 HydrophobicContact CD1-CG 4.17Å; D176-L179 HydrophobicContact CB-CB 4.33Å; D176-L179 HydrophobicContact CB-CD1 4.13Å; D176-L179 HydrophobicContact CB-CG 3.94Å; D176-L179 WeakPolarHBondContact O-CB 3.3Å; D176-L179 PolarHBondContact O-N 2.88Å; D176-L179 PolarHBondContact OD1-N 2.95Å; L177-L179 PolarHBondContact O-N 3.1Å; L179-P181 VanDerWaalsContact C-CD 3.5Å
180A97.6Very high98.1Very high16 Ų1641.7 Ų41.713%0.13224%0.244CC..  trans-137.355.8-179.100000111.7D176 L177 E182 K183D176-A180 PolarHBondContact O-N 3.18Å; L177-A180 CarbonylContact O-C 3.51Å; L177-A180 VanDerWaalsContact O-C 3.23Å; L177-A180 PolarHBondContact O-N 3.37Å; A180-E182 VanDerWaalsContact CA-OE2 3.3Å; A180-E182 WeakPolarHBondContact CA-OE2 3.11Å; A180-E182 WeakPolarHBondContact CB-OE1 3.48Å; A180-E182 PolarHBondContact O-N 3.43Å; A180-K183 HydrophobicContact CB-CD 4.01Å; A180-K183 HydrophobicContact CB-CG 3.97Å; A180-K183 VanDerWaalsContact O-CB 3.29Å; A180-K183 WeakPolarHBondContact O-CB 3.4Å; A180-K183 PolarHBondContact O-N 2.99Å
181P97.7Very high98.2Very high20 Ų2039.1 Ų39.113%0.1323%0.226CC..G310 helixtrans-60.7-26.5-175.425.7-35.9000113.5L177 L179 K183 V184 F208 N212 Q214L177-P181 WeakPolarHBondContact O-CA 3.37Å; L177-P181 VanDerWaalsContact O-N 3.13Å; L179-P181 VanDerWaalsContact C-CD 3.5Å; P181-K183 PolarHBondContact O-N 2.76Å; P181-V184 WeakPolarHBondContact O-CB 3.24Å; P181-V184 WeakPolarHBondContact O-CG2 3.26Å; P181-V184 PolarHBondContact O-N 3.14Å; P181-V184 VanDerWaalsContact O-N 3.1Å; P181-F208 HydrophobicContact CB-CE2 3.82Å; P181-F208 HydrophobicContact CB-CZ 4.28Å; P181-N212 HydrophobicContact CB-CB 3.94Å; P181-N212 VanDerWaalsContact CB-OD1 3.29Å; P181-N212 WeakPolarHBondContact CB-OD1 3.5Å; P181-N212 WeakPolarHBondContact CG-OD1 3.45Å; P181-Q214 PolarHBondContact O-NE2 3.17Å
182E97.5Very high98.2Very high126 Ų12636.8 Ų36.859%0.58922%0.217SC*.G310 helixtrans-61-23.6174.673.8-69.9166.900112.4A180 V184 A185A180-E182 VanDerWaalsContact CA-OE2 3.3Å; A180-E182 WeakPolarHBondContact CA-OE2 3.11Å; A180-E182 WeakPolarHBondContact CB-OE1 3.48Å; A180-E182 PolarHBondContact O-N 3.43Å; E182-V184 PolarHBondContact O-N 3.39Å; E182-A185 WeakPolarHBondContact O-CA 3.36Å; E182-A185 PolarHBondContact O-N 3.24Å
183K98Very high98.2Very high71 Ų7136.9 Ų36.931%0.30922%0.217SC..G310 helixtrans-68.7-17.1176.2-65.8-163.8174.5-175.20113.1T126 L177 A180 P181 A185 R187T126-K183 WeakPolarHBondContact O-CD 3.31Å; T126-K183 WeakPolarHBondContact O-CE 3.17Å; T126-K183 PolarHBondContact O-NZ 3.43Å; L177-K183 HydrophobicContact CD1-CB 4.46Å; A180-K183 HydrophobicContact CB-CD 4.01Å; A180-K183 HydrophobicContact CB-CG 3.97Å; A180-K183 VanDerWaalsContact O-CB 3.29Å; A180-K183 WeakPolarHBondContact O-CB 3.4Å; A180-K183 PolarHBondContact O-N 2.99Å; P181-K183 PolarHBondContact O-N 2.76Å; K183-A185 PolarHBondContact O-N 3.03Å; K183-R187 PolarHBondContact O-NH2 3.17Å
184V98.2Very high98.2Very high1 Ų132.9 Ų32.91%0.00620%0.199CC..G310 helixtrans-54-34.4166.51760000109.9L177 P181 E182 G186 R187 L189 F208 I217L177-V184 HydrophobicContact CD1-CG2 4.08Å; L177-V184 HydrophobicContact CD2-CG2 4.21Å; L177-V184 HydrophobicContact CG-CG2 4.45Å; P181-V184 WeakPolarHBondContact O-CB 3.24Å; P181-V184 WeakPolarHBondContact O-CG2 3.26Å; P181-V184 PolarHBondContact O-N 3.14Å; P181-V184 VanDerWaalsContact O-N 3.1Å; E182-V184 PolarHBondContact O-N 3.39Å; V184-G186 PolarHBondContact O-N 3.02Å; V184-G186 VanDerWaalsContact O-N 3.16Å; V184-R187 VanDerWaalsContact O-CB 3.23Å; V184-R187 WeakPolarHBondContact O-CB 3.43Å; V184-R187 VanDerWaalsContact O-CG 3.3Å; V184-R187 WeakPolarHBondContact O-CG 3.3Å; V184-R187 PolarHBondContact O-N 3.1Å; V184-R187 PolarHBondContact O-NE 3.32Å; V184-L189 HydrophobicContact CG1-CD2 4.42Å; V184-L189 HydrophobicContact CG2-CD2 4.05Å; V184-F208 HydrophobicContact CG2-CZ 4.2Å; V184-I217 HydrophobicContact CG1-CD1 4.44Å; V184-I217 HydrophobicContact CG1-CG1 4.3Å
185A97.1Very high98.1Very high75 Ų7532.5 Ų32.562%0.6219%0.191SC*.THydrogen-bonded Turntrans54.235.7167.800000113.9E182 K183 R187E182-A185 WeakPolarHBondContact O-CA 3.36Å; E182-A185 PolarHBondContact O-N 3.24Å; K183-A185 PolarHBondContact O-N 3.03Å; A185-R187 PolarHBondContact O-N 3.3Å
186G97.4Very high98.1Very high53 Ų5335.6 Ų35.655%0.54621%0.208SC..THydrogen-bonded Turntrans72.26.2-179.900000114.8V184 S216V184-G186 PolarHBondContact O-N 3.02Å; V184-G186 VanDerWaalsContact O-N 3.16Å; G186-S216 WeakPolarHBondContact O-CB 3.47Å
187R98.2Very high98Very high28 Ų2836 Ų3611%0.10621%0.21CC..  trans-69.8137.2176.5-64.2177.5-76.1175.80.2110.5L125 H128 I131 K183 V184 A185 L189 S216L125-R187 PolarHBondContact O-NH2 3.21Å; H128-R187 PolarHBondContact O-NH1 2.79Å; I131-R187 WeakPolarHBondContact O-CD 3.5Å; I131-R187 PolarHBondContact O-NH1 2.92Å; K183-R187 PolarHBondContact O-NH2 3.17Å; V184-R187 VanDerWaalsContact O-CB 3.23Å; V184-R187 WeakPolarHBondContact O-CB 3.43Å; V184-R187 VanDerWaalsContact O-CG 3.3Å; V184-R187 WeakPolarHBondContact O-CG 3.3Å; V184-R187 PolarHBondContact O-N 3.1Å; V184-R187 PolarHBondContact O-NE 3.32Å; A185-R187 PolarHBondContact O-N 3.3Å; R187-L189 PolarHBondContact O-N 3.34Å; R187-S216 VanDerWaalsContact O-CB 3.3Å; R187-S216 WeakPolarHBondContact O-CB 3.4Å; R187-S216 PolarHBondContact O-OG 3.22Å
188P98.6Very high97.9Very high30 Ų3039.7 Ų39.720%0.19523%0.227CC..  trans-56.5119.8173.5-27.936.6000111.6D132 V133 A134 S216 F239 N243D132-P188 WeakPolarHBondContact O-CD 3.42Å; V133-P188 WeakPolarHBondContact CA-O 3.46Å; V133-P188 HydrophobicContact CG1-CB 4.3Å; V133-P188 HydrophobicContact CG2-CB 4.32Å; V133-P188 HydrophobicContact CG2-CG 4.38Å; A134-P188 PolarHBondContact N-O 3.07Å; P188-S216 WeakPolarHBondContact CA-O 3.5Å; P188-F239 HydrophobicContact CB-CE1 4.28Å; P188-F239 HydrophobicContact CB-CE2 4.34Å; P188-F239 HydrophobicContact CB-CZ 3.61Å; P188-N243 HydrophobicContact CB-CB 3.86Å; P188-N243 WeakPolarHBondContact CB-OD1 3.35Å; P188-N243 HydrophobicContact CG-CB 3.94Å; P188-N243 VanDerWaalsContact CG-OD1 3.25Å; P188-N243 WeakPolarHBondContact CG-OD1 3.28Å
189L98.8Very high97.7Very high1 Ų143.4 Ų43.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-130116.5179.6171.855000110.5L125 A134 L177 V184 R187 F191 S216 I217 T218L125-L189 HydrophobicContact CD1-CD1 3.96Å; L125-L189 HydrophobicContact CD1-CD2 3.86Å; L125-L189 HydrophobicContact CD1-CG 4.45Å; A134-L189 HydrophobicContact CB-CD1 3.81Å; A134-L189 WeakPolarHBondContact O-CA 3.35Å; L177-L189 HydrophobicContact CD2-CD2 4.32Å; V184-L189 HydrophobicContact CG1-CD2 4.42Å; V184-L189 HydrophobicContact CG2-CD2 4.05Å; R187-L189 PolarHBondContact O-N 3.34Å; L189-F191 HydrophobicContact CD1-CE2 4.09Å; L189-F191 HydrophobicContact CD1-CZ 4.23Å; L189-F191 HydrophobicContact CD2-CD2 4.35Å; L189-F191 HydrophobicContact CD2-CE2 3.38Å; L189-F191 HydrophobicContact CD2-CZ 3.7Å; L189-F191 HydrophobicContact CG-CD2 4.02Å; L189-F191 HydrophobicContact CG-CE2 3.52Å; L189-F191 HydrophobicContact CG-CZ 4.07Å; L189-S216 PolarHBondContact N-O 3.19Å; L189-I217 HydrophobicContact CB-CG1 4.26Å; L189-I217 HydrophobicContact CD2-CG1 4.43Å; L189-I217 CarbonylContact O-C 3.59Å; L189-I217 VanDerWaalsContact O-CA 3.3Å; L189-I217 WeakPolarHBondContact O-CA 3.2Å; L189-T218 PolarHBondContact O-N 3.47Å
190F98.7Very high97.7Very high8 Ų838.3 Ų38.34%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-98127176.3-173.2-92000111A134 A135 C136 W192 T218 V220 Q235 I236 F239A134-F190 PolarHBondContact O-N 3Å; A135-F190 CarbonylContact C-O 3.55Å; A135-F190 VanDerWaalsContact CA-O 3.31Å; A135-F190 WeakPolarHBondContact CA-O 3.42Å; A135-F190 HydrophobicContact CB-CB 4.28Å; C136-F190 PolarHBondContact N-O 2.99Å; F190-W192 HydrophobicContact CD1-CB 4.46Å; F190-W192 HydrophobicContact CE1-CB 3.73Å; F190-W192 HydrophobicContact CZ-CB 4.46Å; F190-T218 CarbonylContact C-O 3.43Å; F190-T218 WeakPolarHBondContact CA-O 3.39Å; F190-T218 HydrophobicContact CD2-CG2 3.59Å; F190-T218 HydrophobicContact CE2-CG2 3.72Å; F190-V220 HydrophobicContact CE2-CG2 3.73Å; F190-V220 HydrophobicContact CZ-CB 4.14Å; F190-V220 HydrophobicContact CZ-CG2 3.73Å; F190-Q235 HydrophobicContact CZ-CB 4.31Å; F190-I236 HydrophobicContact CD1-CG1 4.06Å; F190-I236 HydrophobicContact CE1-CG1 3.67Å; F190-F239 HydrophobicContact CB-CD1 3.51Å; F190-F239 HydrophobicContact CB-CD2 3.97Å; F190-F239 HydrophobicContact CB-CE1 3.49Å; F190-F239 VanDerWaalsContact CB-CE1 3.49Å; F190-F239 HydrophobicContact CB-CE2 3.96Å; F190-F239 HydrophobicContact CB-CG 3.75Å; F190-F239 HydrophobicContact CB-CZ 3.72Å; F190-F239 HydrophobicContact CD2-CB 4.16Å; F190-F239 AromaticContact CD2-CD2 3.77Å; F190-F239 HydrophobicContact CD2-CD2 3.77Å; F190-F239 HydrophobicContact CD2-CE2 4.3Å; F190-F239 AromaticContact CD2-CG 3.88Å; F190-F239 HydrophobicContact CD2-CG 3.88Å; F190-F239 HydrophobicContact CG-CB 4.47Å; F190-F239 HydrophobicContact CG-CD1 4.26Å; F190-F239 HydrophobicContact CG-CD2 4.28Å; F190-F239 HydrophobicContact CG-CG 4.07Å
191F98.7Very high97.7Very high1 Ų138.8 Ų38.80%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-109132167-73.7-80.2000109.9C136 P141 L189 T205 F208 I209 I217 T218 F219 V220C136-F191 HydrophobicContact CB-CD1 3.59Å; C136-F191 HydrophobicContact CB-CE1 3.57Å; C136-F191 WeakPolarHBondContact O-CA 3.3Å; P141-F191 HydrophobicContact CB-CE1 4.39Å; P141-F191 HydrophobicContact CB-CZ 4.21Å; P141-F191 HydrophobicContact CG-CE1 4.29Å; P141-F191 HydrophobicContact CG-CZ 4.33Å; L189-F191 HydrophobicContact CD1-CE2 4.09Å; L189-F191 HydrophobicContact CD1-CZ 4.23Å; L189-F191 HydrophobicContact CD2-CD2 4.35Å; L189-F191 HydrophobicContact CD2-CE2 3.38Å; L189-F191 HydrophobicContact CD2-CZ 3.7Å; L189-F191 HydrophobicContact CG-CD2 4.02Å; L189-F191 HydrophobicContact CG-CE2 3.52Å; L189-F191 HydrophobicContact CG-CZ 4.07Å; F191-T205 HydrophobicContact CB-CG2 3.83Å; F191-T205 HydrophobicContact CD1-CG2 3.48Å; F191-T205 VanDerWaalsContact CD1-CG2 3.48Å; F191-T205 HydrophobicContact CD2-CG2 4.44Å; F191-T205 HydrophobicContact CE1-CG2 4.1Å; F191-T205 HydrophobicContact CG-CG2 3.67Å; F191-F208 HydrophobicContact CE2-CD1 4.13Å; F191-F208 AromaticContact CE2-CE1 3.95Å; F191-F208 HydrophobicContact CE2-CE1 3.95Å; F191-F208 HydrophobicContact CZ-CD1 4.14Å; F191-F208 HydrophobicContact CZ-CE1 4.06Å; F191-I209 HydrophobicContact CB-CD1 4.38Å; F191-I209 HydrophobicContact CD2-CD1 4.08Å; F191-I209 HydrophobicContact CD2-CG1 4.42Å; F191-I209 HydrophobicContact CG-CD1 4.37Å; F191-I217 HydrophobicContact CD2-CG2 3.81Å; F191-I217 HydrophobicContact CE2-CG2 4.1Å; F191-T218 PolarHBondContact N-O 3.2Å; F191-F219 HydrophobicContact CB-CD2 3.67Å; F191-F219 HydrophobicContact CB-CE2 4.29Å; F191-V220 PolarHBondContact O-N 3.09Å
192W98.5Very high97.7Very high3 Ų340.4 Ų40.41%0.01122%0.218CC..EExtended strand (participates in β ladder)trans-122.9133.3161.1-175.594000110.4C136 V137 M138 F190 V220 A222 E224 F227 V228 T232C136-W192 PolarHBondContact O-N 2.97Å; V137-W192 CarbonylContact C-O 3.59Å; V137-W192 HydrophobicContact CG1-CB 4.38Å; V137-W192 HydrophobicContact CG1-CE3 3.86Å; M138-W192 HydrophobicContact CG-CE3 3.66Å; M138-W192 HydrophobicContact CG-CZ3 3.36Å; M138-W192 PolarHBondContact N-O 3.31Å; M138-W192 HydrophobicContact SD-CE3 4.47Å; M138-W192 HydrophobicContact SD-CZ3 3.66Å; F190-W192 HydrophobicContact CD1-CB 4.46Å; F190-W192 HydrophobicContact CE1-CB 3.73Å; F190-W192 HydrophobicContact CZ-CB 4.46Å; W192-V220 VanDerWaalsContact CA-O 3.26Å; W192-V220 WeakPolarHBondContact CA-O 3.44Å; W192-A222 HydrophobicContact CZ2-CB 4.17Å; W192-E224 HydrophobicContact CH2-CB 3.88Å; W192-E224 HydrophobicContact CH2-CG 4.24Å; W192-E224 HydrophobicContact CZ2-CB 4.2Å; W192-E224 HydrophobicContact CZ2-CG 4.14Å; W192-F227 WeakPolarHBondContact CH2-O 3.43Å; W192-F227 WeakPolarHBondContact CZ3-O 3.44Å; W192-V228 HydrophobicContact CE3-CG2 4.12Å; W192-V228 HydrophobicContact CZ3-CG2 3.85Å; W192-T232 HydrophobicContact CB-CG2 4.09Å; W192-T232 VanDerWaalsContact CD1-CG2 3.41Å; W192-T232 HydrophobicContact CD2-CG2 3.52Å; W192-T232 HydrophobicContact CE3-CG2 4.24Å; W192-T232 HydrophobicContact CG-CG2 3.4Å; W192-T232 HydrophobicContact CZ2-CG2 4.43Å; W192-T232 PolarHBondContact NE1-OG1 2.95Å
193H98.4Very high97.7Very high1 Ų139.1 Ų39.11%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-149.1133.9179.8-143.2101.5000112.6M138 G139 D197 V200 Y202 F219 V220 S221 A222M138-H193 VanDerWaalsContact C-CE1 3.43Å; M138-H193 VanDerWaalsContact CA-CE1 3.48Å; M138-H193 WeakPolarHBondContact CA-CE1 3.48Å; M138-H193 WeakPolarHBondContact CA-ND1 3.39Å; G139-H193 PolarHBondContact O-CE1 3.47Å; G139-H193 PolarHBondContact O-ND1 2.7Å; H193-D197 IonicContact CD2-OD2 3.77Å; H193-D197 IonicContact CE1-OD2 3.37Å; H193-D197 IonicContact NE2-OD2 2.89Å; H193-D197 PolarHBondContact NE2-OD2 3.29Å; H193-V200 PolarHBondContact NE2-O 3.14Å; H193-Y202 HydrophobicContact CB-CD2 3.88Å; H193-Y202 HydrophobicContact CB-CE2 4.28Å; H193-Y202 VanDerWaalsContact CD2-CA 3.5Å; H193-Y202 WeakPolarHBondContact CD2-CA 3.28Å; H193-Y202 AromaticContact CD2-CD2 3.89Å; H193-F219 HydrophobicContact CB-CE2 4.12Å; H193-V220 PolarHBondContact N-O 2.74Å; H193-V220 VanDerWaalsContact N-O 3.1Å; H193-S221 VanDerWaalsContact O-CA 3.24Å; H193-S221 WeakPolarHBondContact O-CA 3.39Å; H193-S221 VanDerWaalsContact O-CB 3.31Å; H193-S221 WeakPolarHBondContact O-CB 3.48Å; H193-A222 PolarHBondContact O-N 3.07Å
194G97.8Very high97.8Very high0 Ų036.5 Ų36.50%020%0.201CC..EExtended strand (participates in β ladder)trans-75.5128.5172.400000111.4E196 D197 A222 E224G194-E196 PolarHBondContact O-N 3.28Å; G194-D197 VanDerWaalsContact O-CB 3.3Å; G194-D197 WeakPolarHBondContact O-CB 3.48Å; G194-D197 PolarHBondContact O-N 3.03Å; G194-A222 CarbonylContact C-O 3.49Å; G194-A222 WeakPolarHBondContact CA-O 3.34Å; G194-E224 CarbonylContact C-O 3.53Å; G194-E224 WeakPolarHBondContact CA-O 3.35Å
195T97.7Very high97.8Very high46 Ų4636.5 Ų36.528%0.28220%0.201SC..THydrogen-bonded Turntrans-65.8-23-177.458.10000112.9Y202 A222 E224T195-Y202 HydrophobicContact CG2-CD2 4.15Å; T195-Y202 HydrophobicContact CG2-CE1 4.47Å; T195-Y202 HydrophobicContact CG2-CE2 3.87Å; T195-A222 PolarHBondContact N-O 3.28Å; T195-A222 PolarHBondContact OG1-O 3.41Å; T195-E224 PolarHBondContact N-O 3.43Å
196E97.5Very high97.8Very high125 Ų12533.7 Ų33.758%0.58418%0.178SC*.THydrogen-bonded Turntrans-100.618179-55.4-55.6131.300112.5G194 E198 E224 R225G194-E196 PolarHBondContact O-N 3.28Å; E196-E198 PolarHBondContact O-N 3.45Å; E196-E224 CarbonylContact C-O 3.59Å; E196-E224 WeakPolarHBondContact CA-O 3.43Å; E196-E224 PolarHBondContact N-O 3.5Å; E196-R225 HydrophobicContact CB-CG 4.04Å
197D97.6Very high97.9Very high11 Ų1133.8 Ų33.86%0.05917%0.166CC..  trans-65.2105.7-179.9-174.5-15.6000111.8H193 G194 K199 V200 H226H193-D197 IonicContact CD2-OD2 3.77Å; H193-D197 IonicContact CE1-OD2 3.37Å; H193-D197 IonicContact NE2-OD2 2.89Å; H193-D197 PolarHBondContact NE2-OD2 3.29Å; G194-D197 VanDerWaalsContact O-CB 3.3Å; G194-D197 WeakPolarHBondContact O-CB 3.48Å; G194-D197 PolarHBondContact O-N 3.03Å; D197-K199 VanDerWaalsContact C-N 3.34Å; D197-K199 WeakPolarHBondContact OD1-CA 3.29Å; D197-K199 PolarHBondContact OD1-N 3.21Å; D197-V200 WeakPolarHBondContact CB-O 3.01Å; D197-V200 PolarHBondContact OD1-N 2.98Å; D197-H226 WeakPolarHBondContact OD1-CB 3.38Å; D197-H226 IonicContact OD1-CG 2.69Å; D197-H226 IonicContact OD1-ND1 3.65Å; D197-H226 PolarHBondContact OD1-ND1 3.28Å; D197-H226 IonicContact OD2-CE1 2.82Å; D197-H226 IonicContact OD2-CG 3.25Å; D197-H226 IonicContact OD2-ND1 3.47Å; D197-H226 PolarHBondContact OD2-ND1 3.15Å
198E95.4Very high97.9Very high77 Ų7732.7 Ų32.736%0.3616%0.162SC..SBendtrans-77.5-17.3179.175.1-80.3-172.400113.7R149 E196 R225R149-E198 PolarHBondContact NH2-O 3.2Å; E196-E198 PolarHBondContact O-N 3.45Å; E198-R225 IonicContact OE1-CZ 2.64Å; E198-R225 IonicContact OE1-NE 3.91Å; E198-R225 IonicContact OE1-NH2 2.74Å; E198-R225 PolarHBondContact OE1-NH2 3.28Å; E198-R225 IonicContact OE2-CZ 3.63Å; E198-R225 IonicContact OE2-NE 3.48Å; E198-R225 PolarHBondContact OE2-NE 3.09Å; E198-R225 IonicContact OE2-NH2 3.65Å
199K95.5Very high97.8Very high112 Ų11232.9 Ų32.949%0.48716%0.161SC..SBendtrans-95.2-36.6-173.6-60.3-169.9-168.6165.60112.8Y146 R149 D197 H226Y146-K199 PolarHBondContact OH-O 2.99Å; R149-K199 PolarHBondContact NH1-O 3.13Å; D197-K199 VanDerWaalsContact C-N 3.34Å; D197-K199 WeakPolarHBondContact OD1-CA 3.29Å; D197-K199 PolarHBondContact OD1-N 3.21Å; K199-H226 HydrophobicContact CB-CB 4.14Å; K199-H226 HydrophobicContact CD-CB 3.91Å; K199-H226 HydrophobicContact CG-CB 3.94Å
200V97Very high97.8Very high0 Ų041.2 Ų41.20%020%0.197CC..SBendtrans-129.8118.9174.9-174.80000108.7M138 G139 Y146 H193 D197 Y202M138-V200 WeakPolarHBondContact O-CB 3.44Å; M138-V200 WeakPolarHBondContact O-CG2 3.47Å; G139-V200 WeakPolarHBondContact O-CG1 3.48Å; Y146-V200 HydrophobicContact CE2-CG1 4.41Å; Y146-V200 HydrophobicContact CE2-CG2 4.21Å; H193-V200 PolarHBondContact NE2-O 3.14Å; D197-V200 WeakPolarHBondContact CB-O 3.01Å; D197-V200 PolarHBondContact OD1-N 2.98Å; V200-Y202 PolarHBondContact O-N 3.45Å; V200-Y202 VanDerWaalsContact O-N 3.16Å
201P97.4Very high97.7Very high26 Ų2644.3 Ų44.317%0.16922%0.224CC..  trans-66.5122.3-170.3-18.233.3000111R149 Q203 H204R149-P201 VanDerWaalsContact NH1-CD 3.26Å; P201-Q203 PolarHBondContact O-N 2.73Å; P201-H204 WeakPolarHBondContact O-CB 2.93Å; P201-H204 PolarHBondContact O-N 3.03Å
202Y98.2Very high97.5Very high53 Ų5346.1 Ų46.121%0.20823%0.234CC..Hα-helixtrans-45.9-39.5172172.6-99000112.7H193 T195 V200 H204 T205 A206 F219H193-Y202 HydrophobicContact CB-CD2 3.88Å; H193-Y202 HydrophobicContact CB-CE2 4.28Å; H193-Y202 VanDerWaalsContact CD2-CA 3.5Å; H193-Y202 WeakPolarHBondContact CD2-CA 3.28Å; H193-Y202 AromaticContact CD2-CD2 3.89Å; T195-Y202 HydrophobicContact CG2-CD2 4.15Å; T195-Y202 HydrophobicContact CG2-CE1 4.47Å; T195-Y202 HydrophobicContact CG2-CE2 3.87Å; V200-Y202 PolarHBondContact O-N 3.45Å; V200-Y202 VanDerWaalsContact O-N 3.16Å; Y202-H204 PolarHBondContact O-N 3.21Å; Y202-H204 VanDerWaalsContact O-N 3.14Å; Y202-T205 PolarHBondContact O-N 3.43Å; Y202-T205 VanDerWaalsContact O-N 3.12Å; Y202-A206 HydrophobicContact CD1-CB 4.03Å; Y202-A206 HydrophobicContact CE1-CB 3.56Å; Y202-A206 PolarHBondContact O-N 2.94Å; Y202-F219 HydrophobicContact CD2-CZ 4.37Å; Y202-F219 HydrophobicContact CE2-CE1 4.24Å; Y202-F219 HydrophobicContact CE2-CE2 4.22Å; Y202-F219 AromaticContact CE2-CZ 3.42Å; Y202-F219 HydrophobicContact CE2-CZ 3.42Å; Y202-F219 VanDerWaalsContact CE2-CZ 3.42Å; Y202-F219 AromaticContact CZ-CZ 3.68Å; Y202-F219 WeakPolarHBondContact OH-CE1 3.43Å; Y202-F219 WeakPolarHBondContact OH-CZ 3.23Å
203Q98.1Very high97.3Very high99 Ų9951.3 Ų51.346%0.46327%0.268SS..Hα-helixtrans-59.9-27.1-177.2-160.459.846.300113.6P201 T205 D207P201-Q203 PolarHBondContact O-N 2.73Å; Q203-T205 VanDerWaalsContact C-N 3.31Å; Q203-T205 PolarHBondContact O-N 3.07Å; Q203-D207 PolarHBondContact NE2-OD1 3.16Å; Q203-D207 WeakPolarHBondContact O-CB 3.33Å; Q203-D207 PolarHBondContact O-N 2.76Å
204H98.3Very high97Very high17 Ų1753.6 Ų53.68%0.07928%0.279CS..Hα-helixtrans-61.3-43.7177.6-69.3-168000111.6S140 A142 Y146 P201 Y202 F208S140-H204 WeakPolarHBondContact OG-CB 3.24Å; S140-H204 PolarHBondContact OG-ND1 3.05Å; A142-H204 HydrophobicContact CB-CB 4.38Å; Y146-H204 PolarHBondContact N-CE1 3.24Å; P201-H204 WeakPolarHBondContact O-CB 2.93Å; P201-H204 PolarHBondContact O-N 3.03Å; Y202-H204 PolarHBondContact O-N 3.21Å; Y202-H204 VanDerWaalsContact O-N 3.14Å; H204-F208 WeakPolarHBondContact O-CB 3.43Å; H204-F208 PolarHBondContact O-N 3.03Å
205T98.3Very high96.9Very high0 Ų062.1 Ų62.10%032%0.324CS..Hα-helixtrans-76.7-45.2179.1-59.20000110.5P141 F191 Y202 Q203 D207 F208 I209 F219P141-T205 WeakPolarHBondContact CD-OG1 3.3Å; F191-T205 HydrophobicContact CB-CG2 3.83Å; F191-T205 HydrophobicContact CD1-CG2 3.48Å; F191-T205 VanDerWaalsContact CD1-CG2 3.48Å; F191-T205 HydrophobicContact CD2-CG2 4.44Å; F191-T205 HydrophobicContact CE1-CG2 4.1Å; F191-T205 HydrophobicContact CG-CG2 3.67Å; Y202-T205 PolarHBondContact O-N 3.43Å; Y202-T205 VanDerWaalsContact O-N 3.12Å; Q203-T205 VanDerWaalsContact C-N 3.31Å; Q203-T205 PolarHBondContact O-N 3.07Å; T205-D207 PolarHBondContact O-N 3.14Å; T205-F208 WeakPolarHBondContact O-CB 3.2Å; T205-F208 PolarHBondContact O-N 3.04Å; T205-I209 HydrophobicContact CG2-CD1 3.78Å; T205-I209 WeakPolarHBondContact O-CD1 3.47Å; T205-I209 WeakPolarHBondContact O-CG1 3.13Å; T205-I209 PolarHBondContact O-N 3.12Å; T205-I209 VanDerWaalsContact O-N 3.07Å; T205-F219 HydrophobicContact CG2-CD2 4.25Å; T205-F219 HydrophobicContact CG2-CE2 3.75Å; T205-F219 HydrophobicContact CG2-CZ 4.16Å
206A98.2Very high96.8Very high17 Ų1761 Ų6114%0.1432%0.318CS..Hα-helixtrans-62.8-42179.400000113.1Y202 K210 F219Y202-A206 HydrophobicContact CD1-CB 4.03Å; Y202-A206 HydrophobicContact CE1-CB 3.56Å; Y202-A206 PolarHBondContact O-N 2.94Å; A206-K210 VanDerWaalsContact O-CB 3.28Å; A206-K210 WeakPolarHBondContact O-CB 3.41Å; A206-K210 PolarHBondContact O-N 3.16Å; A206-F219 HydrophobicContact CB-CE1 4.41Å
207D98.2Very high96.9Very high54 Ų5456.1 Ų56.129%0.28930%0.296SS..Hα-helixtrans-60.8-45.8174.3-80.8-17000111.4K145 Q203 T205 I209 K210 A211K145-D207 IonicContact NZ-OD2 3.18Å; K145-D207 PolarHBondContact NZ-OD2 3.4Å; Q203-D207 PolarHBondContact NE2-OD1 3.16Å; Q203-D207 WeakPolarHBondContact O-CB 3.33Å; Q203-D207 PolarHBondContact O-N 2.76Å; T205-D207 PolarHBondContact O-N 3.14Å; D207-I209 PolarHBondContact O-N 3.25Å; D207-K210 PolarHBondContact O-N 3.38Å; D207-A211 VanDerWaalsContact O-CB 3.28Å; D207-A211 WeakPolarHBondContact O-CB 3.46Å; D207-A211 PolarHBondContact O-N 3.48Å
208F98.4Very high96.9Very high6 Ų658.4 Ų58.43%0.02631%0.31CS..Hα-helixtrans-59-48.4-178.6171.5-102.9000111.2P141 L177 P181 V184 F191 H204 T205 A211 N212 I217P141-F208 HydrophobicContact CB-CB 4.4Å; P141-F208 HydrophobicContact CB-CD1 4.12Å; P141-F208 HydrophobicContact CB-CD2 4.21Å; P141-F208 HydrophobicContact CB-CE1 4.49Å; P141-F208 HydrophobicContact CB-CG 3.98Å; P141-F208 HydrophobicContact CG-CB 3.56Å; P141-F208 HydrophobicContact CG-CD1 3.89Å; P141-F208 HydrophobicContact CG-CD2 4.27Å; P141-F208 HydrophobicContact CG-CG 3.64Å; L177-F208 HydrophobicContact CD2-CZ 4.1Å; L177-F208 HydrophobicContact CG-CE2 4.15Å; L177-F208 HydrophobicContact CG-CZ 4Å; P181-F208 HydrophobicContact CB-CE2 3.82Å; P181-F208 HydrophobicContact CB-CZ 4.28Å; V184-F208 HydrophobicContact CG2-CZ 4.2Å; F191-F208 HydrophobicContact CE2-CD1 4.13Å; F191-F208 AromaticContact CE2-CE1 3.95Å; F191-F208 HydrophobicContact CE2-CE1 3.95Å; F191-F208 HydrophobicContact CZ-CD1 4.14Å; F191-F208 HydrophobicContact CZ-CE1 4.06Å; H204-F208 WeakPolarHBondContact O-CB 3.43Å; H204-F208 PolarHBondContact O-N 3.03Å; T205-F208 WeakPolarHBondContact O-CB 3.2Å; T205-F208 PolarHBondContact O-N 3.04Å; F208-A211 PolarHBondContact O-N 3.01Å; F208-N212 WeakPolarHBondContact O-CB 3.24Å; F208-N212 PolarHBondContact O-N 3.46Å; F208-N212 PolarHBondContact O-ND2 3.07Å; F208-I217 HydrophobicContact CE1-CD1 4.02Å
209I97.7Very high97Very high33 Ų3357.6 Ų57.617%0.16931%0.306CS..Hα-helixtrans-66.8-44180-69155.7000111.1F191 T205 D207 A211 N212 I217 F219F191-I209 HydrophobicContact CB-CD1 4.38Å; F191-I209 HydrophobicContact CD2-CD1 4.08Å; F191-I209 HydrophobicContact CD2-CG1 4.42Å; F191-I209 HydrophobicContact CG-CD1 4.37Å; T205-I209 HydrophobicContact CG2-CD1 3.78Å; T205-I209 WeakPolarHBondContact O-CD1 3.47Å; T205-I209 WeakPolarHBondContact O-CG1 3.13Å; T205-I209 PolarHBondContact O-N 3.12Å; T205-I209 VanDerWaalsContact O-N 3.07Å; D207-I209 PolarHBondContact O-N 3.25Å; I209-A211 VanDerWaalsContact C-N 3.3Å; I209-A211 PolarHBondContact O-N 3.42Å; I209-N212 CarbonylContact O-C 3.24Å; I209-N212 VanDerWaalsContact O-C 3.24Å; I209-N212 PolarHBondContact O-N 3.44Å; I209-I217 HydrophobicContact CG1-CG2 4.17Å; I209-F219 HydrophobicContact CD1-CB 3.52Å; I209-F219 HydrophobicContact CD1-CD1 3.46Å; I209-F219 VanDerWaalsContact CD1-CD1 3.46Å; I209-F219 HydrophobicContact CD1-CD2 3.66Å; I209-F219 HydrophobicContact CD1-CE1 3.94Å; I209-F219 HydrophobicContact CD1-CE2 4.14Å; I209-F219 HydrophobicContact CD1-CG 3.27Å; I209-F219 HydrophobicContact CD1-CZ 4.23Å
210K97.6Very high97.1Very high177 Ų17754.1 Ų54.177%0.7729%0.294SS*.Hα-helixtrans-61.4-39.5178.5-178.2-179.9176.4-177.70112.1A206 D207A206-K210 VanDerWaalsContact O-CB 3.28Å; A206-K210 WeakPolarHBondContact O-CB 3.41Å; A206-K210 PolarHBondContact O-N 3.16Å; D207-K210 PolarHBondContact O-N 3.38Å
211A97.3Very high97.1Very high72 Ų7256.7 Ų56.760%0.59531%0.312SS*.Hα-helixtrans-76.6-23.7178.600000112.9D207 F208 I209D207-A211 VanDerWaalsContact O-CB 3.28Å; D207-A211 WeakPolarHBondContact O-CB 3.46Å; D207-A211 PolarHBondContact O-N 3.48Å; F208-A211 PolarHBondContact O-N 3.01Å; I209-A211 VanDerWaalsContact C-N 3.3Å; I209-A211 PolarHBondContact O-N 3.42Å
212N95.2Very high97Very high39 Ų3957.1 Ų57.121%0.20932%0.318CS..SBendtrans-134.568.5-172.7-53.9-75.9000111.4P181 F208 I209 Q214P181-N212 HydrophobicContact CB-CB 3.94Å; P181-N212 VanDerWaalsContact CB-OD1 3.29Å; P181-N212 WeakPolarHBondContact CB-OD1 3.5Å; P181-N212 WeakPolarHBondContact CG-OD1 3.45Å; F208-N212 WeakPolarHBondContact O-CB 3.24Å; F208-N212 PolarHBondContact O-N 3.46Å; F208-N212 PolarHBondContact O-ND2 3.07Å; I209-N212 CarbonylContact O-C 3.24Å; I209-N212 VanDerWaalsContact O-C 3.24Å; I209-N212 PolarHBondContact O-N 3.44Å; N212-Q214 PolarHBondContact O-N 2.92Å; N212-Q214 VanDerWaalsContact O-N 3.17Å
213P92.7Very high96.9Very high113 Ų11363 Ų6373%0.73435%0.347SS*.  trans-63.9118.117627.5-33.6000109.8
214Q93.5Very high96.8Very high49 Ų4960.5 Ų60.523%0.22934%0.335CS..  trans-134.7132.6176.5-60.5-17741.100109.1P181 N212 S216 I217P181-Q214 PolarHBondContact O-NE2 3.17Å; N212-Q214 PolarHBondContact O-N 2.92Å; N212-Q214 VanDerWaalsContact O-N 3.17Å; Q214-S216 PolarHBondContact O-N 2.99Å; Q214-I217 HydrophobicContact CB-CD1 3.86Å; Q214-I217 HydrophobicContact CB-CG1 3.98Å; Q214-I217 HydrophobicContact CG-CD1 4.15Å; Q214-I217 PolarHBondContact O-N 3.39Å
215D94.5Very high96.8Very high178 Ų17867 Ų6795%0.95236%0.359SS*.THydrogen-bonded Turntrans-63.6-23.6-177.6-64.7-25.4000113.2I217D215-I217 PolarHBondContact O-N 3.47Å
216S96.9Very high96.7Very high24 Ų2468.5 Ų68.517%0.16837%0.366CS..THydrogen-bonded Turntrans-77.7-7.7176.172.70000113.4G186 R187 P188 L189 Q214G186-S216 WeakPolarHBondContact O-CB 3.47Å; R187-S216 VanDerWaalsContact O-CB 3.3Å; R187-S216 WeakPolarHBondContact O-CB 3.4Å; R187-S216 PolarHBondContact O-OG 3.22Å; P188-S216 WeakPolarHBondContact CA-O 3.5Å; L189-S216 PolarHBondContact N-O 3.19Å; Q214-S216 PolarHBondContact O-N 2.99Å
217I98.1Very high96.4Very high22 Ų2273.8 Ų73.811%0.11339%0.386CS..EExtended strand (participates in β ladder)trans-97.2118.7-179.8-61175.9000110V184 L189 F191 F208 I209 Q214 D215V184-I217 HydrophobicContact CG1-CD1 4.44Å; V184-I217 HydrophobicContact CG1-CG1 4.3Å; L189-I217 HydrophobicContact CB-CG1 4.26Å; L189-I217 HydrophobicContact CD2-CG1 4.43Å; L189-I217 CarbonylContact O-C 3.59Å; L189-I217 VanDerWaalsContact O-CA 3.3Å; L189-I217 WeakPolarHBondContact O-CA 3.2Å; F191-I217 HydrophobicContact CD2-CG2 3.81Å; F191-I217 HydrophobicContact CE2-CG2 4.1Å; F208-I217 HydrophobicContact CE1-CD1 4.02Å; I209-I217 HydrophobicContact CG1-CG2 4.17Å; Q214-I217 HydrophobicContact CB-CD1 3.86Å; Q214-I217 HydrophobicContact CB-CG1 3.98Å; Q214-I217 HydrophobicContact CG-CD1 4.15Å; Q214-I217 PolarHBondContact O-N 3.39Å; D215-I217 PolarHBondContact O-N 3.47Å
218T98.1Very high96Very high58 Ų5871.9 Ų71.936%0.35638%0.376SS..EExtended strand (participates in β ladder)trans-99.1127.7168.8-60.60000109.2L189 F190 F191 V220L189-T218 PolarHBondContact O-N 3.47Å; F190-T218 CarbonylContact C-O 3.43Å; F190-T218 WeakPolarHBondContact CA-O 3.39Å; F190-T218 HydrophobicContact CD2-CG2 3.59Å; F190-T218 HydrophobicContact CE2-CG2 3.72Å; F191-T218 PolarHBondContact N-O 3.2Å; T218-V220 HydrophobicContact CG2-CG2 4.31Å
219F97.9Very high95.8Very high61 Ų6175.7 Ų75.727%0.26839%0.394SS..EExtended strand (participates in β ladder)trans-121.3122.5175.1-177.9-147.2000111.5F191 H193 Y202 T205 A206 I209F191-F219 HydrophobicContact CB-CD2 3.67Å; F191-F219 HydrophobicContact CB-CE2 4.29Å; H193-F219 HydrophobicContact CB-CE2 4.12Å; Y202-F219 HydrophobicContact CD2-CZ 4.37Å; Y202-F219 HydrophobicContact CE2-CE1 4.24Å; Y202-F219 HydrophobicContact CE2-CE2 4.22Å; Y202-F219 AromaticContact CE2-CZ 3.42Å; Y202-F219 HydrophobicContact CE2-CZ 3.42Å; Y202-F219 VanDerWaalsContact CE2-CZ 3.42Å; Y202-F219 AromaticContact CZ-CZ 3.68Å; Y202-F219 WeakPolarHBondContact OH-CE1 3.43Å; Y202-F219 WeakPolarHBondContact OH-CZ 3.23Å; T205-F219 HydrophobicContact CG2-CD2 4.25Å; T205-F219 HydrophobicContact CG2-CE2 3.75Å; T205-F219 HydrophobicContact CG2-CZ 4.16Å; A206-F219 HydrophobicContact CB-CE1 4.41Å; I209-F219 HydrophobicContact CD1-CB 3.52Å; I209-F219 HydrophobicContact CD1-CD1 3.46Å; I209-F219 VanDerWaalsContact CD1-CD1 3.46Å; I209-F219 HydrophobicContact CD1-CD2 3.66Å; I209-F219 HydrophobicContact CD1-CE1 3.94Å; I209-F219 HydrophobicContact CD1-CE2 4.14Å; I209-F219 HydrophobicContact CD1-CG 3.27Å; I209-F219 HydrophobicContact CD1-CZ 4.23Å
220V97.8Very high95.6Very high38 Ų3879.4 Ų79.423%0.2341%0.413CS..EExtended strand (participates in β ladder)trans-118.5134.6174.1-1780000108.7F190 F191 W192 H193 T218F190-V220 HydrophobicContact CE2-CG2 3.73Å; F190-V220 HydrophobicContact CZ-CB 4.14Å; F190-V220 HydrophobicContact CZ-CG2 3.73Å; F191-V220 PolarHBondContact O-N 3.09Å; W192-V220 VanDerWaalsContact CA-O 3.26Å; W192-V220 WeakPolarHBondContact CA-O 3.44Å; H193-V220 PolarHBondContact N-O 2.74Å; H193-V220 VanDerWaalsContact N-O 3.1Å; T218-V220 HydrophobicContact CG2-CG2 4.31Å
221S96.9Very high95.4Very high54 Ų5473.7 Ų73.738%0.37840%0.399SS..EExtended strand (participates in β ladder)trans-133.1157.5172.361.80000111H193H193-S221 VanDerWaalsContact O-CA 3.24Å; H193-S221 WeakPolarHBondContact O-CA 3.39Å; H193-S221 VanDerWaalsContact O-CB 3.31Å; H193-S221 WeakPolarHBondContact O-CB 3.48Å
222A96.1Very high95.4Very high36 Ų3670.7 Ų70.730%0.29837%0.373SS..EExtended strand (participates in β ladder)trans-146.7157.6178.500000109.6W192 H193 G194 T195 E224W192-A222 HydrophobicContact CZ2-CB 4.17Å; H193-A222 PolarHBondContact O-N 3.07Å; G194-A222 CarbonylContact C-O 3.49Å; G194-A222 WeakPolarHBondContact CA-O 3.34Å; T195-A222 PolarHBondContact N-O 3.28Å; T195-A222 PolarHBondContact OG1-O 3.41Å; A222-E224 HydrophobicContact CB-CB 4.46Å; A222-E224 HydrophobicContact CB-CG 3.82Å; A222-E224 PolarHBondContact O-N 2.95Å
223E96.4Very high95.5Very high175 Ų17570.4 Ų70.482%0.81837%0.371SS*.SBendtrans-70.766.5171.9-68.5-175.8-177.200110.8
224E96Very high95.7Very high48 Ų4868.5 Ų68.522%0.22436%0.355CS..  trans-127.7152.2-175.8-68.9-65.7163.600109.9W192 G194 T195 E196 A222 Q229W192-E224 HydrophobicContact CH2-CB 3.88Å; W192-E224 HydrophobicContact CH2-CG 4.24Å; W192-E224 HydrophobicContact CZ2-CB 4.2Å; W192-E224 HydrophobicContact CZ2-CG 4.14Å; G194-E224 CarbonylContact C-O 3.53Å; G194-E224 WeakPolarHBondContact CA-O 3.35Å; T195-E224 PolarHBondContact N-O 3.43Å; E196-E224 CarbonylContact C-O 3.59Å; E196-E224 WeakPolarHBondContact CA-O 3.43Å; E196-E224 PolarHBondContact N-O 3.5Å; A222-E224 HydrophobicContact CB-CB 4.46Å; A222-E224 HydrophobicContact CB-CG 3.82Å; A222-E224 PolarHBondContact O-N 2.95Å; E224-Q229 PolarHBondContact OE1-NE2 3.11Å
225R96.9Very high95.9Very high154 Ų15470.5 Ų70.558%0.58136%0.364SS*.  trans-82.4-158.2170.9-69.3-177.460.9-177.9-3.1110.3E196 E198 F227E196-R225 HydrophobicContact CB-CG 4.04Å; E198-R225 IonicContact OE1-CZ 2.64Å; E198-R225 IonicContact OE1-NE 3.91Å; E198-R225 IonicContact OE1-NH2 2.74Å; E198-R225 PolarHBondContact OE1-NH2 3.28Å; E198-R225 IonicContact OE2-CZ 3.63Å; E198-R225 IonicContact OE2-NE 3.48Å; E198-R225 PolarHBondContact OE2-NE 3.09Å; E198-R225 IonicContact OE2-NH2 3.65Å; R225-F227 PolarHBondContact O-N 2.93Å
226H95.6Very high96.1Very high30 Ų3062 Ų6214%0.13932%0.319CS..SBendtrans-72.260.5172.4-157.578.3000113.2S115 M138 D197 K199S115-H226 VanDerWaalsContact CB-CE1 3.47Å; S115-H226 WeakPolarHBondContact CB-CE1 3.49Å; S115-H226 WeakPolarHBondContact CB-NE2 3.49Å; S115-H226 PolarHBondContact OG-CE1 3.26Å; S115-H226 PolarHBondContact OG-NE2 2.53Å; M138-H226 HydrophobicContact SD-CB 4.5Å; D197-H226 WeakPolarHBondContact OD1-CB 3.38Å; D197-H226 IonicContact OD1-CG 2.69Å; D197-H226 IonicContact OD1-ND1 3.65Å; D197-H226 PolarHBondContact OD1-ND1 3.28Å; D197-H226 IonicContact OD2-CE1 2.82Å; D197-H226 IonicContact OD2-CG 3.25Å; D197-H226 IonicContact OD2-ND1 3.47Å; D197-H226 PolarHBondContact OD2-ND1 3.15Å; K199-H226 HydrophobicContact CB-CB 4.14Å; K199-H226 HydrophobicContact CD-CB 3.91Å; K199-H226 HydrophobicContact CG-CB 3.94Å
227F92.9Very high96.2Very high129 Ų12961.2 Ų61.257%0.56631%0.313SS*.  trans-146.6140.4-177-178.3-102.3000111.7M138 W192 R225 Q229M138-F227 PolarHBondContact SD-N 3.22Å; W192-F227 WeakPolarHBondContact CH2-O 3.43Å; W192-F227 WeakPolarHBondContact CZ3-O 3.44Å; R225-F227 PolarHBondContact O-N 2.93Å; F227-Q229 HydrophobicContact CD1-CG 4.49Å; F227-Q229 HydrophobicContact CE1-CG 4.31Å
228V90.8Very high96.2Very high13 Ų1363.9 Ų63.98%0.07933%0.325CS..  trans-111.5121.7-179173.10000109.7V137 M138 W192 T232 M233V137-V228 HydrophobicContact CG1-CG1 4.49Å; V137-V228 HydrophobicContact CG1-CG2 3.41Å; V137-V228 VanDerWaalsContact CG1-CG2 3.41Å; M138-V228 HydrophobicContact CE-CG2 3.38Å; M138-V228 HydrophobicContact CG-CG2 4.34Å; M138-V228 HydrophobicContact SD-CG2 3.89Å; W192-V228 HydrophobicContact CE3-CG2 4.12Å; W192-V228 HydrophobicContact CZ3-CG2 3.85Å; V228-T232 HydrophobicContact CG1-CG2 3.86Å; V228-M233 HydrophobicContact CG1-CE 4.14Å; V228-M233 HydrophobicContact CG1-CG 3.92Å
229Q92.7Very high96.2Very high86 Ų8662 Ų6240%0.40231%0.312SS..  trans-76.4159.5174.7-61.8-162.54.800112.2E224 F227 A231 T232 M233E224-Q229 PolarHBondContact OE1-NE2 3.11Å; F227-Q229 HydrophobicContact CD1-CG 4.49Å; F227-Q229 HydrophobicContact CE1-CG 4.31Å; Q229-A231 VanDerWaalsContact C-N 3.28Å; Q229-A231 PolarHBondContact O-N 2.91Å; Q229-T232 WeakPolarHBondContact O-CB 3.27Å; Q229-T232 PolarHBondContact O-N 3.42Å; Q229-T232 VanDerWaalsContact O-N 3.15Å; Q229-M233 PolarHBondContact O-N 2.85Å
230I93.2Very high96.2Very high112 Ų11259.1 Ų59.157%0.57430%0.299SS*.Hα-helixtrans-59.5-39.2176.4-62.7175.2000111.4T232 M233 D234I230-T232 VanDerWaalsContact C-N 3.27Å; I230-T232 PolarHBondContact O-N 3.45Å; I230-M233 WeakPolarHBondContact O-CA 3.4Å; I230-M233 VanDerWaalsContact O-CB 3.3Å; I230-M233 WeakPolarHBondContact O-CB 3.11Å; I230-M233 PolarHBondContact O-N 3.39Å; I230-D234 PolarHBondContact O-N 3.47Å
231A94.7Very high96.2Very high57 Ų5758.2 Ų58.247%0.47130%0.296SS..Hα-helixtrans-59.3-38.8177.700000112.1Q229 D234 Q235Q229-A231 VanDerWaalsContact C-N 3.28Å; Q229-A231 PolarHBondContact O-N 2.91Å; A231-D234 PolarHBondContact O-N 2.96Å; A231-Q235 WeakPolarHBondContact O-CG 3.29Å; A231-Q235 PolarHBondContact O-N 2.94Å
232T95.8Very high96.3Very high9 Ų961.3 Ų61.36%0.05531%0.308CS..Hα-helixtrans-63.3-40.7172.9-54.80000111.6W192 V228 Q229 I230 D234 Q235 I236W192-T232 HydrophobicContact CB-CG2 4.09Å; W192-T232 VanDerWaalsContact CD1-CG2 3.41Å; W192-T232 HydrophobicContact CD2-CG2 3.52Å; W192-T232 HydrophobicContact CE3-CG2 4.24Å; W192-T232 HydrophobicContact CG-CG2 3.4Å; W192-T232 HydrophobicContact CZ2-CG2 4.43Å; W192-T232 PolarHBondContact NE1-OG1 2.95Å; V228-T232 HydrophobicContact CG1-CG2 3.86Å; Q229-T232 WeakPolarHBondContact O-CB 3.27Å; Q229-T232 PolarHBondContact O-N 3.42Å; Q229-T232 VanDerWaalsContact O-N 3.15Å; I230-T232 VanDerWaalsContact C-N 3.27Å; I230-T232 PolarHBondContact O-N 3.45Å; T232-D234 VanDerWaalsContact C-N 3.26Å; T232-D234 PolarHBondContact O-N 3.47Å; T232-Q235 PolarHBondContact O-N 3.13Å; T232-I236 HydrophobicContact CG2-CD1 3.9Å; T232-I236 HydrophobicContact CG2-CG1 4.5Å; T232-I236 WeakPolarHBondContact O-CD1 3.41Å; T232-I236 VanDerWaalsContact O-CG1 3.28Å; T232-I236 WeakPolarHBondContact O-CG1 3.37Å; T232-I236 PolarHBondContact O-N 3.27Å
233M97.7Very high96.3Very high32 Ų3263 Ų6316%0.15831%0.312CS..Hα-helixtrans-61.1-36.1176.1-60.6-179.6-176.500112.3T46 Q47 K50 V228 Q229 I230 T237T46-M233 HydrophobicContact CG2-SD 3.94Å; Q47-M233 PolarHBondContact NE2-O 3.46Å; Q47-M233 VanDerWaalsContact NE2-O 3.14Å; Q47-M233 VanDerWaalsContact OE1-CA 3.23Å; K50-M233 HydrophobicContact CD-CB 3.87Å; V228-M233 HydrophobicContact CG1-CE 4.14Å; V228-M233 HydrophobicContact CG1-CG 3.92Å; Q229-M233 PolarHBondContact O-N 2.85Å; I230-M233 WeakPolarHBondContact O-CA 3.4Å; I230-M233 VanDerWaalsContact O-CB 3.3Å; I230-M233 WeakPolarHBondContact O-CB 3.11Å; I230-M233 PolarHBondContact O-N 3.39Å; M233-T237 WeakPolarHBondContact O-CB 3.49Å; M233-T237 PolarHBondContact O-N 3.22Å; M233-T237 PolarHBondContact O-OG1 3.31Å
234D98Very high96.4Very high73 Ų7354.7 Ų54.739%0.3927%0.273SS..Hα-helixtrans-68.6-43.9175.3-68.4-35.7000111.4K50 I230 A231 T232 I236 T237 E238K50-D234 WeakPolarHBondContact CE-OD1 3.24Å; K50-D234 IonicContact NZ-OD1 3.88Å; K50-D234 PolarHBondContact NZ-OD1 3.5Å; K50-D234 IonicContact NZ-OD2 3.23Å; I230-D234 PolarHBondContact O-N 3.47Å; A231-D234 PolarHBondContact O-N 2.96Å; T232-D234 VanDerWaalsContact C-N 3.26Å; T232-D234 PolarHBondContact O-N 3.47Å; D234-I236 PolarHBondContact O-N 3.28Å; D234-T237 WeakPolarHBondContact O-CB 3.26Å; D234-T237 PolarHBondContact O-N 3.42Å; D234-T237 VanDerWaalsContact O-N 3.15Å; D234-E238 PolarHBondContact O-N 2.89Å
235Q97.9Very high96Very high92 Ų9253.3 Ų53.343%0.4327%0.272SS..Hα-helixtrans-58.8-45.1174.2-70.7177.5-38.700112.4F190 A231 T232 T237 E238 F239F190-Q235 HydrophobicContact CZ-CB 4.31Å; A231-Q235 WeakPolarHBondContact O-CG 3.29Å; A231-Q235 PolarHBondContact O-N 2.94Å; T232-Q235 PolarHBondContact O-N 3.13Å; Q235-T237 VanDerWaalsContact C-N 3.3Å; Q235-T237 PolarHBondContact O-N 3.49Å; Q235-E238 PolarHBondContact O-N 3.12Å; Q235-F239 WeakPolarHBondContact O-CB 3.28Å; Q235-F239 PolarHBondContact O-N 2.99Å
236I98.2Very high95.2Very high0 Ų050.3 Ų50.30%027%0.267CS..Hα-helixtrans-61.2-42.5176.2-65.9156000110.5Y33 A135 V137 F190 T232 D234 F239 F240Y33-I236 HydrophobicContact CE2-CG2 4.46Å; A135-I236 HydrophobicContact CB-CG2 4.06Å; V137-I236 HydrophobicContact CG1-CD1 4.25Å; V137-I236 HydrophobicContact CG2-CD1 3.44Å; V137-I236 VanDerWaalsContact CG2-CD1 3.44Å; V137-I236 HydrophobicContact CG2-CG1 4.14Å; F190-I236 HydrophobicContact CD1-CG1 4.06Å; F190-I236 HydrophobicContact CE1-CG1 3.67Å; T232-I236 HydrophobicContact CG2-CD1 3.9Å; T232-I236 HydrophobicContact CG2-CG1 4.5Å; T232-I236 WeakPolarHBondContact O-CD1 3.41Å; T232-I236 VanDerWaalsContact O-CG1 3.28Å; T232-I236 WeakPolarHBondContact O-CG1 3.37Å; T232-I236 PolarHBondContact O-N 3.27Å; D234-I236 PolarHBondContact O-N 3.28Å; I236-F239 PolarHBondContact O-N 2.89Å; I236-F240 HydrophobicContact CG2-CD2 3.98Å; I236-F240 HydrophobicContact CG2-CE2 3.91Å; I236-F240 VanDerWaalsContact O-CD2 3.32Å; I236-F240 WeakPolarHBondContact O-CD2 3.29Å; I236-F240 PolarHBondContact O-N 2.84Å; I236-F240 VanDerWaalsContact O-N 3.12Å
237T98.4Very high93.9Very high6 Ų652.9 Ų52.94%0.03729%0.288CS..Hα-helixtrans-63.4-44179.7-590000111.3Q47 K50 L51 K54 M233 D234 Q235 F240 A241Q47-T237 PolarHBondContact NE2-OG1 3.21Å; K50-T237 HydrophobicContact CB-CG2 4.08Å; K50-T237 WeakPolarHBondContact CB-OG1 3.25Å; K50-T237 WeakPolarHBondContact O-CG2 3.48Å; L51-T237 HydrophobicContact CD2-CG2 4.34Å; K54-T237 HydrophobicContact CG-CG2 3.61Å; M233-T237 WeakPolarHBondContact O-CB 3.49Å; M233-T237 PolarHBondContact O-N 3.22Å; M233-T237 PolarHBondContact O-OG1 3.31Å; D234-T237 WeakPolarHBondContact O-CB 3.26Å; D234-T237 PolarHBondContact O-N 3.42Å; D234-T237 VanDerWaalsContact O-N 3.15Å; Q235-T237 VanDerWaalsContact C-N 3.3Å; Q235-T237 PolarHBondContact O-N 3.49Å; T237-F240 PolarHBondContact O-N 2.82Å; T237-A241 PolarHBondContact O-N 3.07Å
238E98.1Very high92.2Very high79 Ų7955 Ų5537%0.36930%0.3SS..Hα-helixtrans-66.6-41.1178.1-155.761.6-14200111.3K54 D234 Q235 F240 A241 D242K54-E238 WeakPolarHBondContact CE-OE2 3.5Å; K54-E238 IonicContact NZ-OE1 3.94Å; K54-E238 PolarHBondContact NZ-OE1 3.09Å; K54-E238 IonicContact NZ-OE2 2.76Å; K54-E238 PolarHBondContact NZ-OE2 2.89Å; D234-E238 PolarHBondContact O-N 2.89Å; Q235-E238 PolarHBondContact O-N 3.12Å; E238-F240 VanDerWaalsContact C-N 3.32Å; E238-F240 PolarHBondContact O-N 2.68Å; E238-A241 WeakPolarHBondContact O-CA 3.27Å; E238-A241 WeakPolarHBondContact O-CB 3.28Å; E238-A241 PolarHBondContact O-N 2.84Å; E238-D242 PolarHBondContact O-N 3.4Å
239F98.5Very high89.9Confident18 Ų1865.3 Ų65.38%0.07934%0.337CS..Hα-helixtrans-55.7-45174.8179.3-95.2000112.6V133 A134 P188 F190 Q235 I236 N243V133-F239 HydrophobicContact CG1-CD1 4.09Å; V133-F239 HydrophobicContact CG1-CE1 3.52Å; V133-F239 HydrophobicContact CG1-CZ 4.37Å; A134-F239 WeakPolarHBondContact O-CE1 3.3Å; P188-F239 HydrophobicContact CB-CE1 4.28Å; P188-F239 HydrophobicContact CB-CE2 4.34Å; P188-F239 HydrophobicContact CB-CZ 3.61Å; F190-F239 HydrophobicContact CB-CD1 3.51Å; F190-F239 HydrophobicContact CB-CD2 3.97Å; F190-F239 HydrophobicContact CB-CE1 3.49Å; F190-F239 VanDerWaalsContact CB-CE1 3.49Å; F190-F239 HydrophobicContact CB-CE2 3.96Å; F190-F239 HydrophobicContact CB-CG 3.75Å; F190-F239 HydrophobicContact CB-CZ 3.72Å; F190-F239 HydrophobicContact CD2-CB 4.16Å; F190-F239 AromaticContact CD2-CD2 3.77Å; F190-F239 HydrophobicContact CD2-CD2 3.77Å; F190-F239 HydrophobicContact CD2-CE2 4.3Å; F190-F239 AromaticContact CD2-CG 3.88Å; F190-F239 HydrophobicContact CD2-CG 3.88Å; F190-F239 HydrophobicContact CG-CB 4.47Å; F190-F239 HydrophobicContact CG-CD1 4.26Å; F190-F239 HydrophobicContact CG-CD2 4.28Å; F190-F239 HydrophobicContact CG-CG 4.07Å; Q235-F239 WeakPolarHBondContact O-CB 3.28Å; Q235-F239 PolarHBondContact O-N 2.99Å; I236-F239 PolarHBondContact O-N 2.89Å; F239-N243 WeakPolarHBondContact O-CB 3.41Å; F239-N243 PolarHBondContact O-N 3.15Å; F239-N243 PolarHBondContact O-ND2 2.97Å
240F98.6Very high87.1Confident0 Ų071.1 Ų71.10%038%0.379CS..Hα-helixtrans-66.1-41.1173.4-83.1-71.5000112.2I31 Y33 L51 F56 V111 V133 A135 I236 T237 E238 D242 N243 L244 G245I31-F240 HydrophobicContact CD1-CB 4.07Å; I31-F240 HydrophobicContact CD1-CD1 3.67Å; I31-F240 HydrophobicContact CD1-CD2 4.39Å; I31-F240 HydrophobicContact CD1-CE1 4.17Å; I31-F240 HydrophobicContact CD1-CG 3.8Å; I31-F240 HydrophobicContact CG1-CD1 4.29Å; I31-F240 HydrophobicContact CG1-CE1 4.43Å; I31-F240 HydrophobicContact CG2-CE1 4.39Å; I31-F240 HydrophobicContact CG2-CZ 4.32Å; Y33-F240 HydrophobicContact CE2-CE2 4.48Å; L51-F240 HydrophobicContact CD2-CB 3.84Å; L51-F240 HydrophobicContact CD2-CD2 3.62Å; L51-F240 HydrophobicContact CD2-CE2 4.46Å; L51-F240 HydrophobicContact CD2-CG 3.97Å; F56-F240 HydrophobicContact CE2-CB 3.96Å; F56-F240 HydrophobicContact CZ-CB 4.28Å; F56-F240 WeakPolarHBondContact CZ-O 3.42Å; V111-F240 WeakPolarHBondContact O-CZ 3.41Å; V133-F240 HydrophobicContact CB-CD1 4.25Å; V133-F240 HydrophobicContact CB-CE1 4.22Å; V133-F240 HydrophobicContact CG1-CD1 3.7Å; V133-F240 HydrophobicContact CG1-CE1 3.78Å; A135-F240 HydrophobicContact CB-CE2 3.52Å; A135-F240 HydrophobicContact CB-CZ 3.75Å; I236-F240 HydrophobicContact CG2-CD2 3.98Å; I236-F240 HydrophobicContact CG2-CE2 3.91Å; I236-F240 VanDerWaalsContact O-CD2 3.32Å; I236-F240 WeakPolarHBondContact O-CD2 3.29Å; I236-F240 PolarHBondContact O-N 2.84Å; I236-F240 VanDerWaalsContact O-N 3.12Å; T237-F240 PolarHBondContact O-N 2.82Å; E238-F240 VanDerWaalsContact C-N 3.32Å; E238-F240 PolarHBondContact O-N 2.68Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 3.4Å; F240-N243 PolarHBondContact O-N 3.39Å; F240-L244 HydrophobicContact CD1-CD2 4.25Å; F240-L244 WeakPolarHBondContact O-CA 3.15Å; F240-L244 VanDerWaalsContact O-CB 3.24Å; F240-L244 WeakPolarHBondContact O-CB 3.28Å; F240-L244 PolarHBondContact O-N 3.14Å; F240-G245 PolarHBondContact O-N 3Å
241A97.8Very high86.8Confident20 Ų2069.1 Ų69.117%0.16537%0.369CS..Hα-helixtrans-58.1-45.4177.800000111.8K54 T237 E238 G245K54-A241 HydrophobicContact CB-CB 4.42Å; K54-A241 HydrophobicContact CD-CB 4.11Å; K54-A241 HydrophobicContact CG-CB 4.24Å; T237-A241 PolarHBondContact O-N 3.07Å; E238-A241 WeakPolarHBondContact O-CA 3.27Å; E238-A241 WeakPolarHBondContact O-CB 3.28Å; E238-A241 PolarHBondContact O-N 2.84Å; A241-G245 WeakPolarHBondContact O-CA 3.45Å; A241-G245 PolarHBondContact O-N 2.92Å
242D97.5Very high86.4Confident119 Ų11969.7 Ų69.764%0.63636%0.364SS*.Hα-helixtrans-69.2-35.1-177.8-69.4-21.8000113E238 F240E238-D242 PolarHBondContact O-N 3.4Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 3.4Å
243N97.8Very high85.9Confident70 Ų7073.1 Ų73.137%0.37438%0.381SS..Hα-helixtrans-103.2-25.8-170.9-68.4-81.5000114.1V133 P188 F239 F240V133-N243 HydrophobicContact CG1-CB 4.04Å; V133-N243 HydrophobicContact CG2-CB 3.66Å; P188-N243 HydrophobicContact CB-CB 3.86Å; P188-N243 WeakPolarHBondContact CB-OD1 3.35Å; P188-N243 HydrophobicContact CG-CB 3.94Å; P188-N243 VanDerWaalsContact CG-OD1 3.25Å; P188-N243 WeakPolarHBondContact CG-OD1 3.28Å; F239-N243 WeakPolarHBondContact O-CB 3.41Å; F239-N243 PolarHBondContact O-N 3.15Å; F239-N243 PolarHBondContact O-ND2 2.97Å; F240-N243 PolarHBondContact O-N 3.39Å
244L96.5Very high85.2Confident1 Ų175.5 Ų75.51%0.00539%0.394CS..Hα-helixtrans-116.6-16.9-177-161.670.7000112.7P29 I31 F56 K108 D132 V133 F240P29-L244 HydrophobicContact CB-CD2 4.02Å; P29-L244 HydrophobicContact CB-CG 3.88Å; I31-L244 HydrophobicContact CD1-CD2 4.01Å; I31-L244 HydrophobicContact CG1-CD2 3.64Å; F56-L244 HydrophobicContact CD1-CD2 4.33Å; F56-L244 HydrophobicContact CE1-CB 3.95Å; F56-L244 HydrophobicContact CE1-CD2 4.05Å; F56-L244 HydrophobicContact CE1-CG 4.1Å; F56-L244 HydrophobicContact CZ-CB 4.14Å; K108-L244 HydrophobicContact CB-CD1 3.93Å; K108-L244 HydrophobicContact CB-CG 4.47Å; K108-L244 WeakPolarHBondContact CD-O 3.46Å; D132-L244 HydrophobicContact CB-CD1 3.79Å; V133-L244 HydrophobicContact CB-CB 4.37Å; V133-L244 HydrophobicContact CB-CD1 4.27Å; V133-L244 HydrophobicContact CG2-CB 4Å; V133-L244 HydrophobicContact CG2-CD1 3.9Å; F240-L244 HydrophobicContact CD1-CD2 4.25Å; F240-L244 WeakPolarHBondContact O-CA 3.15Å; F240-L244 VanDerWaalsContact O-CB 3.24Å; F240-L244 WeakPolarHBondContact O-CB 3.28Å; F240-L244 PolarHBondContact O-N 3.14Å
245G89.4Confident84.4Confident20 Ų2075.6 Ų75.621%0.20639%0.394CS..PPolyproline II helixtrans-56.2158.9-176.800000113.8K108 F240 A241K108-G245 PolarHBondContact NZ-O 2.94Å; K108-G245 VanDerWaalsContact NZ-O 3.08Å; F240-G245 PolarHBondContact O-N 3Å; A241-G245 WeakPolarHBondContact O-CA 3.45Å; A241-G245 PolarHBondContact O-N 2.92Å
246I80.3Confident83.5Confident91 Ų9174.5 Ų74.547%0.46739%0.392SS..PPolyproline II helixtrans-90120.4165-48173.9000105.1P29 M106 E248P29-I246 HydrophobicContact CG-CD1 4.41Å; P29-I246 HydrophobicContact CG-CG1 3.99Å; M106-I246 HydrophobicContact CE-CD1 3.68Å; M106-I246 HydrophobicContact CE-CG1 3.86Å; M106-I246 HydrophobicContact SD-CD1 3.41Å; M106-I246 WeakPolarHBondContact SD-CD1 3.49Å; M106-I246 HydrophobicContact SD-CG1 3.58Å; M106-I246 VanDerWaalsContact SD-CG1 3.58Å; I246-E248 PolarHBondContact O-N 2.71Å
247S67.5Low82.4Confident83 Ų8379.9 Ų79.958%0.5842%0.42SS*.PPolyproline II helixtrans-56.7128.7165.669.20000107R249S247-R249 PolarHBondContact O-N 3.23Å
248E57.5Low81.2Confident175 Ų17585.5 Ų85.582%0.81845%0.449SS*.  trans-60.291.4163.2-70-172.4173.400106.7I246 T250I246-E248 PolarHBondContact O-N 2.71Å; E248-T250 VanDerWaalsContact C-N 3.3Å; E248-T250 PolarHBondContact O-N 3.18Å
249R42.7Very low79.8Confident228 Ų22886.1 Ų86.186%0.8646%0.456SS*.  trans-70.1102.3163.2-80.2-169.5179.1-162.61104.5S247S247-R249 PolarHBondContact O-N 3.23Å
250T33.4Very low78.1Confident208 Ų20892.3 Ų92.3100%1.27649%0.49SS*.  trans-42.50159.851.30000111.7E248E248-T250 VanDerWaalsContact C-N 3.3Å; E248-T250 PolarHBondContact O-N 3.18Å

Retrieved 250 of 250 residues in 446.1 ms (Link to these results)

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