A0A077ZBF8_TRITR Loading...

LicD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 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
1M42.8Very low81.9Confident233 Ų233114.5 Ų114.5100%1.14853%0.528SS*.  0127.10-68.7178.4-60.100107.1E3M1-E3 PolarHBondContact O-N 3.48Å
2K49.7Very low83.1Confident211 Ų211113 Ų11392%0.91753%0.527SS*.  trans-61.6128164.5-109.1174.9172.3176.70106.3S4K2-S4 PolarHBondContact O-N 3.27Å
3E58.8Low84Confident196 Ų196106.6 Ų106.692%0.91650%0.498SS*.  trans-53112170.4-70.5179.2173.700107.6M1 E5M1-E3 PolarHBondContact O-N 3.48Å; E3-E5 PolarHBondContact O-N 3.26Å
4S74.7Confident84.8Confident54 Ų5499.4 Ų99.438%0.37847%0.465SS..PPolyproline II helixtrans-77.1120.9172.246.80000107K2 F6 R162K2-S4 PolarHBondContact O-N 3.27Å; S4-F6 PolarHBondContact O-N 3.5Å; S4-R162 WeakPolarHBondContact OG-CG 3.44Å; S4-R162 PolarHBondContact OG-NE 3.4Å
5E93.3Very high85.5Confident101 Ų10196.8 Ų96.847%0.47247%0.468SS..PPolyproline II helixtrans-46.2134.1172176.7-177.5-171.800110.7E3 R159 C161 R162E3-E5 PolarHBondContact O-N 3.26Å; E5-R159 IonicContact OE2-CZ 3.48Å; E5-R159 IonicContact OE2-NE 3.66Å; E5-R159 IonicContact OE2-NH2 2.82Å; E5-R159 PolarHBondContact OE2-NH2 2.83Å; E5-C161 CarbonylContact O-C 3.52Å; E5-C161 VanDerWaalsContact O-CA 3.3Å; E5-C161 WeakPolarHBondContact O-CA 3.41Å; E5-C161 VanDerWaalsContact O-CB 3.28Å; E5-C161 WeakPolarHBondContact O-CB 3.36Å; E5-C161 PolarHBondContact OE2-SG 2.04Å; E5-R162 PolarHBondContact O-N 3.22Å
6F96.6Very high86Confident93 Ų9394.1 Ų94.141%0.40847%0.466SS..BIsolated β-bridgetrans-98.2131.4176.9-172.2-87.4000109.5S4 E8 R162 E164 L169S4-F6 PolarHBondContact O-N 3.5Å; F6-E8 HydrophobicContact CD1-CG 4.3Å; F6-E8 HydrophobicContact CE1-CG 3.95Å; F6-E8 WeakPolarHBondContact CE1-OE1 3.23Å; F6-R162 CarbonylContact C-O 3.54Å; F6-R162 WeakPolarHBondContact CA-O 3.3Å; F6-R162 HydrophobicContact CD2-CB 3.82Å; F6-E164 HydrophobicContact CE2-CB 4.28Å; F6-E164 HydrophobicContact CZ-CB 3.85Å; F6-L169 HydrophobicContact CE2-CD2 4.07Å
7I96.9Very high86.3Confident27 Ų2789.2 Ų89.214%0.13844%0.442CS..  trans-113129.2176.1-60.8177.1000108W63 Y64 C161 R162 V172 V176I7-W63 HydrophobicContact CB-CH2 4.11Å; I7-W63 HydrophobicContact CB-CZ2 4.46Å; I7-W63 HydrophobicContact CG2-CH2 3.69Å; I7-W63 HydrophobicContact CG2-CZ2 4.21Å; I7-W63 WeakPolarHBondContact O-CZ2 3.37Å; I7-Y64 HydrophobicContact CG2-CE2 4.24Å; I7-C161 HydrophobicContact CD1-CB 3.54Å; I7-C161 HydrophobicContact CG1-CB 3.81Å; I7-R162 PolarHBondContact N-O 3.24Å; I7-V172 HydrophobicContact CD1-CG2 4.45Å; I7-V176 HydrophobicContact CD1-CG2 4.16Å
8E97.2Very high86.6Confident92 Ų9289.7 Ų89.743%0.4344%0.438SS..  trans-84.3148.5171.8-72.6-79.4172.700110.8F6 R11F6-E8 HydrophobicContact CD1-CG 4.3Å; F6-E8 HydrophobicContact CE1-CG 3.95Å; F6-E8 WeakPolarHBondContact CE1-OE1 3.23Å; E8-R11 IonicContact OE1-NH2 2.69Å; E8-R11 IonicContact OE2-CZ 2.63Å; E8-R11 IonicContact OE2-NE 2.65Å; E8-R11 IonicContact OE2-NH2 2.6Å; E8-R11 PolarHBondContact OE2-NH2 2.72Å
9C97.8Very high86.9Confident15 Ų1593.7 Ų93.710%0.10146%0.455CS..  trans-66.2161.6165.868.40000111.2R11 W63 C67C9-R11 PolarHBondContact O-N 3.11Å; C9-W63 WeakPolarHBondContact CB-O 3.4Å; C9-C67 HydrophobicContact CB-CB 3.88Å; C9-C67 WeakPolarHBondContact CB-SG 3.4Å; C9-C67 WeakPolarHBondContact SG-CB 3.39Å; C9-C67 CovalentContact SG-SG 2.03Å; C9-C67 PolarHBondContact SG-SG 2.96Å
10R96.7Very high87.1Confident82 Ų8296 Ų9631%0.30946%0.463SS..  trans-81.178.7179.4-66-64.8-55.7-82.5-2.8112D12 M13 A14 Y64R10-D12 VanDerWaalsContact C-N 3.27Å; R10-D12 IonicContact CZ-OD1 3.68Å; R10-D12 IonicContact CZ-OD2 2.65Å; R10-D12 IonicContact NE-OD1 3.75Å; R10-D12 PolarHBondContact NE-OD1 3.08Å; R10-D12 IonicContact NE-OD2 2.83Å; R10-D12 IonicContact NH2-OD1 3.01Å; R10-D12 PolarHBondContact NH2-OD1 3.25Å; R10-D12 IonicContact NH2-OD2 2.76Å; R10-D12 PolarHBondContact NH2-OD2 3.45Å; R10-D12 PolarHBondContact O-N 3.13Å; R10-M13 HydrophobicContact CB-CB 3.62Å; R10-M13 HydrophobicContact CB-SD 4.46Å; R10-M13 WeakPolarHBondContact O-CB 3.47Å; R10-M13 PolarHBondContact O-N 3.01Å; R10-M13 VanDerWaalsContact O-N 3.07Å; R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.19Å; R10-Y64 WeakPolarHBondContact CB-O 3.45Å; R10-Y64 HydrophobicContact CG-CD1 4.45Å; R10-Y64 HydrophobicContact CG-CE1 4.11Å; R10-Y64 HydrophobicContact CG-CE2 4.19Å; R10-Y64 WeakPolarHBondContact CG-O 3.18Å; R10-Y64 PolarHBondContact N-O 2.63Å
11R96.6Very high87.1Confident156 Ų15693.6 Ų93.659%0.58945%0.45SS*.Hα-helixtrans-56.7-38.5-178.6-61.6-175.8-169.5-175.35113.4E8 C9 A14 A15E8-R11 IonicContact OE1-NH2 2.69Å; E8-R11 IonicContact OE2-CZ 2.63Å; E8-R11 IonicContact OE2-NE 2.65Å; E8-R11 IonicContact OE2-NH2 2.6Å; E8-R11 PolarHBondContact OE2-NH2 2.72Å; C9-R11 PolarHBondContact O-N 3.11Å; R11-A14 PolarHBondContact O-N 3.39Å; R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.31Å
12D96.1Very high89.2Confident96 Ų9685.6 Ų85.651%0.51342%0.415SS..Hα-helixtrans-60.9-46.6174.761.8-38.9000111.8R10 A16R10-D12 VanDerWaalsContact C-N 3.27Å; R10-D12 IonicContact CZ-OD1 3.68Å; R10-D12 IonicContact CZ-OD2 2.65Å; R10-D12 IonicContact NE-OD1 3.75Å; R10-D12 PolarHBondContact NE-OD1 3.08Å; R10-D12 IonicContact NE-OD2 2.83Å; R10-D12 IonicContact NH2-OD1 3.01Å; R10-D12 PolarHBondContact NH2-OD1 3.25Å; R10-D12 IonicContact NH2-OD2 2.76Å; R10-D12 PolarHBondContact NH2-OD2 3.45Å; R10-D12 PolarHBondContact O-N 3.13Å; D12-A16 PolarHBondContact O-N 3.29Å; D12-A16 VanDerWaalsContact O-N 3.11Å
13M94.9Very high90.9Very high30 Ų3078.9 Ų78.915%0.14839%0.394CS..Hα-helixtrans-66.9-42.6177.2-173175.7-67.100111.5R10 A15 A16 I17 R65 W188R10-M13 HydrophobicContact CB-CB 3.62Å; R10-M13 HydrophobicContact CB-SD 4.46Å; R10-M13 WeakPolarHBondContact O-CB 3.47Å; R10-M13 PolarHBondContact O-N 3.01Å; R10-M13 VanDerWaalsContact O-N 3.07Å; M13-A15 VanDerWaalsContact C-N 3.35Å; M13-A15 PolarHBondContact O-N 2.99Å; M13-A16 PolarHBondContact O-N 2.88Å; M13-I17 HydrophobicContact CG-CD1 3.79Å; M13-I17 HydrophobicContact CG-CG1 4.42Å; M13-I17 WeakPolarHBondContact O-CB 3.34Å; M13-I17 VanDerWaalsContact O-CG1 3.31Å; M13-I17 WeakPolarHBondContact O-CG1 3.24Å; M13-I17 PolarHBondContact O-N 3.4Å; M13-R65 HydrophobicContact CG-CG 4.28Å; M13-R65 HydrophobicContact SD-CB 4.37Å; M13-R65 HydrophobicContact SD-CG 3.82Å; M13-W188 HydrophobicContact CE-CH2 4Å; M13-W188 HydrophobicContact CE-CZ3 4.43Å; M13-W188 HydrophobicContact SD-CH2 4.08Å; M13-W188 HydrophobicContact SD-CZ3 3.93Å
14A94.8Very high92.1Very high5 Ų570.6 Ų70.64%0.04136%0.358CS..Hα-helixtrans-59.9-44.717800000111.4R10 R11 I17 R18 R65 E66 C67R10-A14 WeakPolarHBondContact O-CB 3.47Å; R10-A14 PolarHBondContact O-N 3.19Å; R11-A14 PolarHBondContact O-N 3.39Å; A14-I17 PolarHBondContact O-N 3.37Å; A14-R18 VanDerWaalsContact O-CG 3.3Å; A14-R18 WeakPolarHBondContact O-CG 3.26Å; A14-R18 PolarHBondContact O-N 2.66Å; A14-R18 VanDerWaalsContact O-N 3.07Å; A14-R65 WeakPolarHBondContact CA-O 3.3Å; A14-R65 PolarHBondContact N-O 2.7Å; A14-E66 WeakPolarHBondContact CB-O 3.5Å; A14-C67 HydrophobicContact CB-CB 4.24Å
15A95.1Very high92.6Very high61 Ų6169.9 Ų69.950%0.50435%0.348SS..Hα-helixtrans-61.7-48.8175.800000111.6R11 M13 I17 R18 E19R11-A15 WeakPolarHBondContact O-CB 3.45Å; R11-A15 PolarHBondContact O-N 3.31Å; M13-A15 VanDerWaalsContact C-N 3.35Å; M13-A15 PolarHBondContact O-N 2.99Å; A15-I17 VanDerWaalsContact C-N 3.31Å; A15-I17 PolarHBondContact O-N 3Å; A15-R18 PolarHBondContact O-N 3.46Å; A15-E19 PolarHBondContact O-N 2.82Å
16A93.7Very high92.3Very high53 Ų5371.5 Ų71.544%0.43836%0.359SS..Hα-helixtrans-62.3-36.3179.500000113D12 M13 K20D12-A16 PolarHBondContact O-N 3.29Å; D12-A16 VanDerWaalsContact O-N 3.11Å; M13-A16 PolarHBondContact O-N 2.88Å; A16-K20 VanDerWaalsContact O-CB 3.25Å; A16-K20 WeakPolarHBondContact O-CB 3.26Å; A16-K20 PolarHBondContact O-N 2.81Å
17I91.4Very high91.8Very high12 Ų1272.3 Ų72.36%0.06237%0.368CS..Hα-helixtrans-68.8-43.9176.9-76172.2000111.2M13 A14 A15 E19 K20 Y21 Y25 R65 T191M13-I17 HydrophobicContact CG-CD1 3.79Å; M13-I17 HydrophobicContact CG-CG1 4.42Å; M13-I17 WeakPolarHBondContact O-CB 3.34Å; M13-I17 VanDerWaalsContact O-CG1 3.31Å; M13-I17 WeakPolarHBondContact O-CG1 3.24Å; M13-I17 PolarHBondContact O-N 3.4Å; A14-I17 PolarHBondContact O-N 3.37Å; A15-I17 VanDerWaalsContact C-N 3.31Å; A15-I17 PolarHBondContact O-N 3Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.2Å; I17-K20 PolarHBondContact O-N 3.05Å; I17-Y21 HydrophobicContact CG2-CD2 4.14Å; I17-Y21 WeakPolarHBondContact O-CD2 3.09Å; I17-Y21 PolarHBondContact O-N 2.8Å; I17-Y25 HydrophobicContact CG2-CE2 3.7Å; I17-Y25 WeakPolarHBondContact CG2-OH 3.21Å; I17-R65 HydrophobicContact CD1-CG 3.27Å; I17-T191 WeakPolarHBondContact CG2-OG1 3.3Å
18R91Very high91.5Very high98 Ų9877.6 Ų77.637%0.3740%0.402SS..Hα-helixtrans-64-38.7177.9-69.8174.4-160-97.21.9112A14 A15 P22 Y25 E66A14-R18 VanDerWaalsContact O-CG 3.3Å; A14-R18 WeakPolarHBondContact O-CG 3.26Å; A14-R18 PolarHBondContact O-N 2.66Å; A14-R18 VanDerWaalsContact O-N 3.07Å; A15-R18 PolarHBondContact O-N 3.46Å; R18-P22 WeakPolarHBondContact O-CA 3.25Å; R18-Y25 HydrophobicContact CB-CD2 4.24Å; R18-Y25 HydrophobicContact CB-CG 4.44Å; R18-Y25 HydrophobicContact CG-CD1 3.89Å; R18-Y25 HydrophobicContact CG-CD2 3.91Å; R18-Y25 HydrophobicContact CG-CE1 4.1Å; R18-Y25 HydrophobicContact CG-CE2 4.13Å; R18-Y25 HydrophobicContact CG-CG 3.81Å; R18-E66 PolarHBondContact NH2-O 3.41Å
19E92.7Very high91.3Very high165 Ų16575.6 Ų75.677%0.77140%0.397SS*.Hα-helixtrans-65.3-40.6174.1-175.1178.7-172.500111.8A15 I17A15-E19 PolarHBondContact O-N 2.82Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.2Å
20K90.5Very high91Very high140 Ų14080.1 Ų80.161%0.60942%0.419SS*.Hα-helixtrans-73.7-32.3-178.5-172.3173.9179.5-174.50113.7A16 I17 P22A16-K20 VanDerWaalsContact O-CB 3.25Å; A16-K20 WeakPolarHBondContact O-CB 3.26Å; A16-K20 PolarHBondContact O-N 2.81Å; I17-K20 PolarHBondContact O-N 3.05Å; K20-P22 VanDerWaalsContact C-CD 3.44Å
21Y87.4Confident90.9Very high46 Ų4676.6 Ų76.618%0.1841%0.406CS..  trans-127.455.9-173.9-55.9-73.5000112.7I17 S23 S24 Y25 E193I17-Y21 HydrophobicContact CG2-CD2 4.14Å; I17-Y21 WeakPolarHBondContact O-CD2 3.09Å; I17-Y21 PolarHBondContact O-N 2.8Å; Y21-S23 PolarHBondContact O-N 3.16Å; Y21-S23 VanDerWaalsContact O-N 3.15Å; Y21-S24 PolarHBondContact O-N 3.42Å; Y21-S24 VanDerWaalsContact O-N 3.09Å; Y21-Y25 VanDerWaalsContact O-CD2 3.27Å; Y21-Y25 WeakPolarHBondContact O-CD2 3.39Å; Y21-E193 WeakPolarHBondContact CB-OE1 3.34Å; Y21-E193 HydrophobicContact CD1-CG 4.43Å; Y21-E193 WeakPolarHBondContact CD1-OE1 3.32Å
22P87.4Confident90.8Very high64 Ų6474.1 Ų74.142%0.41641%0.405SS..Hα-helixtrans-60.6-33.1-170.124.8-34.6000112.9R18 K20 S24 Y25 N26R18-P22 WeakPolarHBondContact O-CA 3.25Å; K20-P22 VanDerWaalsContact C-CD 3.44Å; P22-S24 VanDerWaalsContact C-N 3.32Å; P22-S24 PolarHBondContact O-N 2.84Å; P22-Y25 PolarHBondContact O-N 2.84Å; P22-N26 VanDerWaalsContact O-CB 3.26Å; P22-N26 WeakPolarHBondContact O-CB 3.49Å; P22-N26 PolarHBondContact O-N 2.93Å; P22-N26 PolarHBondContact O-ND2 3.42Å
23S85.4Confident90.7Very high70 Ų7073.4 Ų73.449%0.4940%0.401SS..Hα-helixtrans-59-40.4177.445.70000112.8Y21 Y25 N27Y21-S23 PolarHBondContact O-N 3.16Å; Y21-S23 VanDerWaalsContact O-N 3.15Å; S23-Y25 VanDerWaalsContact C-N 3.27Å; S23-Y25 PolarHBondContact O-N 2.96Å; S23-N27 VanDerWaalsContact O-CG 3.24Å; S23-N27 PolarHBondContact O-N 3.43Å; S23-N27 PolarHBondContact O-ND2 3.1Å
24S83.7Confident90.6Very high23 Ų2374.5 Ų74.516%0.16141%0.412CS..Hα-helixtrans-67.6-26.6179.6-77.50000113.1Y21 P22 P71 E193Y21-S24 PolarHBondContact O-N 3.42Å; Y21-S24 VanDerWaalsContact O-N 3.09Å; P22-S24 VanDerWaalsContact C-N 3.32Å; P22-S24 PolarHBondContact O-N 2.84Å; S24-P71 WeakPolarHBondContact O-CB 3.33Å; S24-E193 WeakPolarHBondContact CB-OE1 3.14Å; S24-E193 PolarHBondContact OG-OE1 3.42Å
25Y85.2Confident90.7Very high39 Ų3974.3 Ų74.315%0.15341%0.41CS..Hα-helixtrans-101.9-17.2-178.6-63.6-81.6000114.1I17 R18 Y21 P22 S23 E66 P71I17-Y25 HydrophobicContact CG2-CE2 3.7Å; I17-Y25 WeakPolarHBondContact CG2-OH 3.21Å; R18-Y25 HydrophobicContact CB-CD2 4.24Å; R18-Y25 HydrophobicContact CB-CG 4.44Å; R18-Y25 HydrophobicContact CG-CD1 3.89Å; R18-Y25 HydrophobicContact CG-CD2 3.91Å; R18-Y25 HydrophobicContact CG-CE1 4.1Å; R18-Y25 HydrophobicContact CG-CE2 4.13Å; R18-Y25 HydrophobicContact CG-CG 3.81Å; Y21-Y25 VanDerWaalsContact O-CD2 3.27Å; Y21-Y25 WeakPolarHBondContact O-CD2 3.39Å; P22-Y25 PolarHBondContact O-N 2.84Å; S23-Y25 VanDerWaalsContact C-N 3.27Å; S23-Y25 PolarHBondContact O-N 2.96Å; Y25-E66 VanDerWaalsContact CE1-OE2 3.28Å; Y25-E66 WeakPolarHBondContact CE1-OE2 3.29Å; Y25-E66 PolarHBondContact OH-OE2 3.29Å; Y25-P71 HydrophobicContact CD1-CG 3.6Å; Y25-P71 HydrophobicContact CE1-CG 3.55Å; Y25-P71 HydrophobicContact CG-CG 4.45Å
26N86.7Confident90.8Very high134 Ų13471.5 Ų71.572%0.71739%0.386SS*.Hα-helixtrans-85-20.1175.8-70.5-14.2000112.7P22P22-N26 VanDerWaalsContact O-CB 3.26Å; P22-N26 WeakPolarHBondContact O-CB 3.49Å; P22-N26 PolarHBondContact O-N 2.93Å; P22-N26 PolarHBondContact O-ND2 3.42Å
27N86.8Confident91Very high111 Ų11173.1 Ų73.159%0.59439%0.388SS*.SBendtrans-75.9153.9174.2-70.7-31.5000111.1S23S23-N27 VanDerWaalsContact O-CG 3.24Å; S23-N27 PolarHBondContact O-N 3.43Å; S23-N27 PolarHBondContact O-ND2 3.1Å
28T90.5Very high91.3Very high137 Ų13773 Ų7384%0.8439%0.387SS*.PPolyproline II helixtrans-59.6124171.2-51.90000109.6
29P92.3Very high91.6Very high51 Ų5168.3 Ų68.333%0.33137%0.369SS..PPolyproline II helixtrans-67.7152.617930.3-36.3000110.6L31 P71P29-L31 VanDerWaalsContact C-N 3.32Å; P29-L31 WeakPolarHBondContact CB-O 3.47Å; P29-L31 WeakPolarHBondContact CG-O 3.38Å; P29-L31 PolarHBondContact O-N 2.97Å; P29-P71 CarbonylContact C-O 3.57Å; P29-P71 WeakPolarHBondContact CA-O 3.39Å; P29-P71 HydrophobicContact CB-CB 4.22Å
30I93.2Very high91.9Very high109 Ų10960.7 Ų60.756%0.55933%0.334SS*.SBendtrans-63.3-41.4177.4-65.5-179000110.7P71 H72 T73I30-P71 PolarHBondContact N-O 3.07Å; I30-H72 WeakPolarHBondContact CD1-O 3.24Å; I30-T73 WeakPolarHBondContact CB-O 3.33Å; I30-T73 WeakPolarHBondContact CG2-O 3.39Å
31L94.6Very high92.3Very high9 Ų957.7 Ų57.75%0.04732%0.32CS..SBendtrans-107.1127.6172.1-59.6179.7000109.1P29 V35 I69 T73 L76 S122P29-L31 VanDerWaalsContact C-N 3.32Å; P29-L31 WeakPolarHBondContact CB-O 3.47Å; P29-L31 WeakPolarHBondContact CG-O 3.38Å; P29-L31 PolarHBondContact O-N 2.97Å; L31-V35 HydrophobicContact CB-CG1 4.17Å; L31-I69 HydrophobicContact CD1-CG2 4.48Å; L31-T73 HydrophobicContact CD1-CG2 3.96Å; L31-L76 HydrophobicContact CD1-CD2 3.91Å; L31-L76 HydrophobicContact CD1-CG 4.04Å; L31-S122 WeakPolarHBondContact CD2-O 3.2Å
32N93.5Very high92.8Very high104 Ų10455.6 Ų55.656%0.55631%0.311SS*.  trans-74.8147.9170.8-172.9-72.1000110S34 V35N32-S34 PolarHBondContact O-N 3.14Å; N32-S34 PolarHBondContact OD1-N 3.24Å; N32-S34 PolarHBondContact OD1-OG 3.19Å; N32-V35 WeakPolarHBondContact O-CB 3.2Å; N32-V35 WeakPolarHBondContact O-CG1 3.5Å; N32-V35 PolarHBondContact O-N 3.22Å
33D94.5Very high93.3Very high81 Ų8153.8 Ų53.843%0.43330%0.296SS..THydrogen-bonded Turntrans-49.6-27.8176.2-70.4-4.9000113.9V35 I36 L166D33-V35 PolarHBondContact O-N 2.96Å; D33-I36 WeakPolarHBondContact O-CB 3.22Å; D33-I36 WeakPolarHBondContact O-CG1 3.36Å; D33-I36 PolarHBondContact O-N 3.32Å; D33-L166 HydrophobicContact CB-CD1 3.92Å
34S92.4Very high93.9Very high53 Ų5353.6 Ų53.637%0.37129%0.29SS..THydrogen-bonded Turntrans-57.8-17173.573.50000114.3N32 I36 D37N32-S34 PolarHBondContact O-N 3.14Å; N32-S34 PolarHBondContact OD1-N 3.24Å; N32-S34 PolarHBondContact OD1-OG 3.19Å; S34-I36 PolarHBondContact O-N 2.8Å; S34-D37 WeakPolarHBondContact O-CB 3.4Å; S34-D37 PolarHBondContact O-N 3.28Å
35V96.3Very high94.6Very high0 Ų053.3 Ų53.30%029%0.286CS..Hα-helixtrans-62.4-22.9172.574.50000112L31 N32 D33 D37 D38 L39 I69 L76L31-V35 HydrophobicContact CB-CG1 4.17Å; N32-V35 WeakPolarHBondContact O-CB 3.2Å; N32-V35 WeakPolarHBondContact O-CG1 3.5Å; N32-V35 PolarHBondContact O-N 3.22Å; D33-V35 PolarHBondContact O-N 2.96Å; V35-D37 VanDerWaalsContact C-N 3.28Å; V35-D37 PolarHBondContact O-N 3.18Å; V35-D38 WeakPolarHBondContact O-CB 3.2Å; V35-D38 PolarHBondContact O-N 3.25Å; V35-D38 VanDerWaalsContact O-N 3.14Å; V35-L39 PolarHBondContact O-N 3.03Å; V35-I69 HydrophobicContact CG1-CD1 3.26Å; V35-L76 HydrophobicContact CB-CD1 4.34Å; V35-L76 HydrophobicContact CG1-CD1 3.82Å; V35-L76 HydrophobicContact CG2-CD1 3.63Å; V35-L76 HydrophobicContact CG2-CG 4.39Å
36I97.8Very high95.2Very high2 Ų251.4 Ų51.41%0.0128%0.279CS..Hα-helixtrans-64.6-33.3176.2-66.3-55.6000111.6D33 S34 D38 L39 A40 I69 L165 L166 E168 F170D33-I36 WeakPolarHBondContact O-CB 3.22Å; D33-I36 WeakPolarHBondContact O-CG1 3.36Å; D33-I36 PolarHBondContact O-N 3.32Å; S34-I36 PolarHBondContact O-N 2.8Å; I36-D38 PolarHBondContact O-N 2.85Å; I36-L39 HydrophobicContact CD1-CD2 4.08Å; I36-L39 WeakPolarHBondContact O-CB 3.44Å; I36-L39 PolarHBondContact O-N 3.19Å; I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.48Å; I36-A40 PolarHBondContact O-N 2.96Å; I36-I69 HydrophobicContact CD1-CD1 3.73Å; I36-I69 HydrophobicContact CD1-CG1 4.06Å; I36-I69 HydrophobicContact CG1-CD1 3.9Å; I36-L165 HydrophobicContact CD1-CD2 3.61Å; I36-L165 HydrophobicContact CD1-CG 3.95Å; I36-L166 HydrophobicContact CG1-CB 4.16Å; I36-L166 HydrophobicContact CG1-CD1 3.82Å; I36-L166 HydrophobicContact CG1-CG 4.41Å; I36-E168 HydrophobicContact CG2-CB 3.81Å; I36-E168 HydrophobicContact CG2-CG 3.8Å; I36-F170 HydrophobicContact CG2-CE2 4.12Å; I36-F170 HydrophobicContact CG2-CZ 4.24Å
37D97.6Very high95.8Very high88 Ų8848.1 Ų48.147%0.47126%0.261SS..Hα-helixtrans-62.4-36.2174.3-64-14.8000111.5S34 V35 Y41 R98S34-D37 WeakPolarHBondContact O-CB 3.4Å; S34-D37 PolarHBondContact O-N 3.28Å; V35-D37 VanDerWaalsContact C-N 3.28Å; V35-D37 PolarHBondContact O-N 3.18Å; D37-Y41 WeakPolarHBondContact O-CB 3.42Å; D37-Y41 PolarHBondContact O-N 3.41Å; D37-R98 VanDerWaalsContact C-NH2 3.26Å; D37-R98 PolarHBondContact O-NH2 2.89Å; D37-R98 VanDerWaalsContact O-NH2 3.16Å
38D97.4Very high96.3Very high9 Ų949.5 Ų49.55%0.04827%0.268CS..Hα-helixtrans-72.9-37.9176.5-77.1-22.8000111.5V35 I36 F42 R98 T120 S122 I125V35-D38 WeakPolarHBondContact O-CB 3.2Å; V35-D38 PolarHBondContact O-N 3.25Å; V35-D38 VanDerWaalsContact O-N 3.14Å; I36-D38 PolarHBondContact O-N 2.85Å; D38-F42 PolarHBondContact O-N 2.86Å; D38-R98 IonicContact OD1-CZ 2.81Å; D38-R98 VanDerWaalsContact OD1-CZ 3.24Å; D38-R98 IonicContact OD1-NE 3.48Å; D38-R98 PolarHBondContact OD1-NE 3.34Å; D38-R98 IonicContact OD1-NH2 3.58Å; D38-R98 PolarHBondContact OD1-NH2 3.17Å; D38-T120 HydrophobicContact CB-CG2 3.87Å; D38-T120 WeakPolarHBondContact OD2-CB 3.47Å; D38-T120 PolarHBondContact OD2-OG1 2.89Å; D38-S122 VanDerWaalsContact OD2-CB 3.24Å; D38-S122 WeakPolarHBondContact OD2-CB 3.47Å; D38-S122 PolarHBondContact OD2-OG 2.88Å; D38-I125 HydrophobicContact CB-CD1 4.5Å
39L98.3Very high96.6Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-64.4-43.3172.9-171.869.2000111.9V35 I36 F42 R43 L55 T59 L76 M78 I125 F170V35-L39 PolarHBondContact O-N 3.03Å; I36-L39 HydrophobicContact CD1-CD2 4.08Å; I36-L39 WeakPolarHBondContact O-CB 3.44Å; I36-L39 PolarHBondContact O-N 3.19Å; L39-F42 PolarHBondContact O-N 3.48Å; L39-R43 WeakPolarHBondContact O-CB 3.39Å; L39-R43 PolarHBondContact O-N 2.77Å; L39-L55 HydrophobicContact CD2-CD2 3.89Å; L39-T59 HydrophobicContact CD2-CG2 4.35Å; L39-L76 HydrophobicContact CB-CD1 4.09Å; L39-L76 HydrophobicContact CD1-CB 4.3Å; L39-L76 HydrophobicContact CD1-CD1 4.2Å; L39-L76 HydrophobicContact CD2-CD1 4.18Å; L39-L76 HydrophobicContact CG-CD1 4.38Å; L39-M78 HydrophobicContact CD1-CE 4.36Å; L39-M78 HydrophobicContact CD1-CG 3.54Å; L39-M78 HydrophobicContact CD1-SD 3.53Å; L39-M78 VanDerWaalsContact CD1-SD 3.53Å; L39-M78 HydrophobicContact CG-SD 4.29Å; L39-I125 HydrophobicContact CB-CD1 4.42Å; L39-I125 HydrophobicContact CD1-CD1 4.16Å; L39-I125 HydrophobicContact CD1-CG1 4.32Å; L39-I125 HydrophobicContact CD1-CG2 3.67Å; L39-F170 HydrophobicContact CB-CE1 4.43Å; L39-F170 HydrophobicContact CB-CZ 4.27Å; L39-F170 HydrophobicContact CD2-CE1 3.82Å; L39-F170 HydrophobicContact CD2-CE2 4.4Å; L39-F170 HydrophobicContact CD2-CZ 3.76Å; L39-F170 HydrophobicContact CG-CE1 3.76Å; L39-F170 HydrophobicContact CG-CZ 3.95Å
40A98.4Very high96.9Very high4 Ų448.3 Ų48.33%0.03325%0.254CS..Hα-helixtrans-63.8-44.1176.100000111.2I36 F42 R43 D44 E168 F170I36-A40 VanDerWaalsContact O-CB 3.28Å; I36-A40 WeakPolarHBondContact O-CB 3.48Å; I36-A40 PolarHBondContact O-N 2.96Å; A40-F42 VanDerWaalsContact C-N 3.33Å; A40-F42 PolarHBondContact O-N 2.77Å; A40-R43 WeakPolarHBondContact O-CB 3.32Å; A40-R43 PolarHBondContact O-N 2.82Å; A40-D44 VanDerWaalsContact O-CG 3.23Å; A40-D44 PolarHBondContact O-N 2.82Å; A40-E168 HydrophobicContact CB-CB 4.45Å; A40-E168 HydrophobicContact CB-CG 3.89Å; A40-F170 HydrophobicContact CB-CZ 4.19Å
41Y98.2Very high97.1Very high78 Ų7843.1 Ų43.131%0.30623%0.227SC..Hα-helixtrans-60.3-42.4174-176.1-89.4000112D37 D44 L45 E96 R98 L99D37-Y41 WeakPolarHBondContact O-CB 3.42Å; D37-Y41 PolarHBondContact O-N 3.41Å; Y41-D44 PolarHBondContact O-N 2.8Å; Y41-L45 PolarHBondContact O-N 2.9Å; Y41-L45 VanDerWaalsContact O-N 3.1Å; Y41-E96 VanDerWaalsContact CE1-OE2 3.3Å; Y41-E96 WeakPolarHBondContact CE1-OE2 3.47Å; Y41-E96 PolarHBondContact OH-OE2 2.99Å; Y41-R98 HydrophobicContact CD1-CB 4.44Å; Y41-R98 HydrophobicContact CD1-CG 4.34Å; Y41-R98 HydrophobicContact CE1-CB 4.04Å; Y41-R98 HydrophobicContact CE1-CG 4.43Å; Y41-L99 HydrophobicContact CD1-CD1 3.75Å; Y41-L99 HydrophobicContact CD1-CD2 4.32Å; Y41-L99 HydrophobicContact CD1-CG 3.85Å; Y41-L99 HydrophobicContact CE1-CD1 3.89Å; Y41-L99 HydrophobicContact CE1-CG 3.97Å
42F98.3Very high97.2Very high1 Ų145.2 Ų45.20%0.00424%0.24CC..Hα-helixtrans-67.3-39.1176.6-173.8-150000112.3D38 L39 A40 D44 L45 L46 M78 L93 L99 V118 I125 L127D38-F42 PolarHBondContact O-N 2.86Å; L39-F42 PolarHBondContact O-N 3.48Å; A40-F42 VanDerWaalsContact C-N 3.33Å; A40-F42 PolarHBondContact O-N 2.77Å; F42-D44 VanDerWaalsContact C-N 3.31Å; F42-D44 PolarHBondContact O-N 3.28Å; F42-L45 PolarHBondContact O-N 3.34Å; F42-L46 HydrophobicContact CD1-CD1 4.43Å; F42-L46 HydrophobicContact CD2-CD1 4.11Å; F42-L46 HydrophobicContact CD2-CG 4.04Å; F42-L46 HydrophobicContact CE1-CD1 4.23Å; F42-L46 HydrophobicContact CE2-CD1 3.86Å; F42-L46 HydrophobicContact CE2-CD2 3.9Å; F42-L46 HydrophobicContact CE2-CG 3.8Å; F42-L46 HydrophobicContact CG-CD1 4.39Å; F42-L46 HydrophobicContact CZ-CD1 3.95Å; F42-L46 HydrophobicContact CZ-CD2 4.33Å; F42-L46 HydrophobicContact CZ-CG 4.34Å; F42-L46 VanDerWaalsContact O-CG 3.28Å; F42-L46 WeakPolarHBondContact O-CG 3.46Å; F42-L46 PolarHBondContact O-N 3.32Å; F42-L46 VanDerWaalsContact O-N 3.08Å; F42-M78 HydrophobicContact CD1-SD 4.15Å; F42-L93 HydrophobicContact CD2-CD2 4.41Å; F42-L93 HydrophobicContact CE2-CD2 3.91Å; F42-L99 HydrophobicContact CB-CD1 3.87Å; F42-L99 HydrophobicContact CB-CD2 4.3Å; F42-L99 HydrophobicContact CD2-CD1 3.68Å; F42-L99 HydrophobicContact CG-CD1 4.04Å; F42-V118 HydrophobicContact CD1-CG2 3.88Å; F42-V118 HydrophobicContact CE1-CG2 3.85Å; F42-V118 HydrophobicContact CE2-CG1 4.35Å; F42-V118 HydrophobicContact CG-CG2 4.28Å; F42-V118 HydrophobicContact CZ-CG1 4.15Å; F42-V118 HydrophobicContact CZ-CG2 4.25Å; F42-I125 HydrophobicContact CB-CD1 4.41Å; F42-I125 HydrophobicContact CD1-CB 4.28Å; F42-I125 HydrophobicContact CD1-CD1 4.4Å; F42-I125 HydrophobicContact CD1-CG2 3.77Å; F42-I125 HydrophobicContact CE1-CG2 4.07Å; F42-L127 HydrophobicContact CE1-CB 4.09Å; F42-L127 HydrophobicContact CZ-CB 4.12Å; F42-L127 HydrophobicContact CZ-CD2 4Å
43R98.4Very high97.5Very high26 Ų2640.4 Ų40.410%0.09822%0.215CC..Hα-helixtrans-53.5-49.4170.9170.2-15669.1-146.6-6.9110.7L39 A40 L46 L47 P53 M78 E168 L169 F170L39-R43 WeakPolarHBondContact O-CB 3.39Å; L39-R43 PolarHBondContact O-N 2.77Å; A40-R43 WeakPolarHBondContact O-CB 3.32Å; A40-R43 PolarHBondContact O-N 2.82Å; R43-L46 WeakPolarHBondContact O-CB 3.29Å; R43-L46 PolarHBondContact O-N 3Å; R43-L47 HydrophobicContact CG-CD1 3.94Å; R43-L47 HydrophobicContact CG-CG 4.44Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.33Å; R43-P53 HydrophobicContact CB-CG 4.17Å; R43-P53 HydrophobicContact CG-CG 3.92Å; R43-M78 HydrophobicContact CB-CE 4.01Å; R43-E168 IonicContact CZ-OE2 3.89Å; R43-E168 IonicContact NH1-OE2 3.46Å; R43-E168 PolarHBondContact NH1-OE2 2.8Å; R43-E168 IonicContact NH2-OE2 3.24Å; R43-E168 PolarHBondContact NH2-OE2 2.65Å; R43-E168 VanDerWaalsContact NH2-OE2 3.16Å; R43-L169 WeakPolarHBondContact CD-O 3.06Å; R43-L169 PolarHBondContact NH1-O 2.97Å; R43-F170 HydrophobicContact CB-CD1 4.49Å; R43-F170 HydrophobicContact CB-CE1 4.19Å; R43-F170 HydrophobicContact CG-CD1 4.43Å
44D98.3Very high97.7Very high66 Ų6637 Ų3735%0.35320%0.196SC..Hα-helixtrans-66.9-41.2-175-64.1-19.2000111.8A40 Y41 F42 L46 L47 D48A40-D44 VanDerWaalsContact O-CG 3.23Å; A40-D44 PolarHBondContact O-N 2.82Å; Y41-D44 PolarHBondContact O-N 2.8Å; F42-D44 VanDerWaalsContact C-N 3.31Å; F42-D44 PolarHBondContact O-N 3.28Å; D44-L46 VanDerWaalsContact C-N 3.29Å; D44-L46 PolarHBondContact O-N 3.41Å; D44-L47 PolarHBondContact O-N 2.95Å; D44-L47 VanDerWaalsContact O-N 3.15Å; D44-D48 PolarHBondContact O-N 3.23Å
45L98.1Very high98Very high17 Ų1734.4 Ų34.49%0.08918%0.178CC..Hα-helixtrans-57.9-41.2171.9-178.8151.9000112.4Y41 F42 L49 L89 L93 E96 L99Y41-L45 PolarHBondContact O-N 2.9Å; Y41-L45 VanDerWaalsContact O-N 3.1Å; F42-L45 PolarHBondContact O-N 3.34Å; L45-L49 HydrophobicContact CD2-CD1 4.06Å; L45-L49 PolarHBondContact O-N 2.99Å; L45-L89 HydrophobicContact CD2-CD1 4.11Å; L45-L93 HydrophobicContact CD1-CD2 4.38Å; L45-L93 HydrophobicContact CD2-CD2 4.18Å; L45-E96 VanDerWaalsContact CD1-CD 3.45Å; L45-E96 HydrophobicContact CD1-CG 3.39Å; L45-E96 WeakPolarHBondContact CD1-OE1 3.22Å; L45-L99 HydrophobicContact CD1-CD1 4.24Å
46L98.4Very high98.1Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-67.1-41.5177.2-68.2171.2000111.1F42 R43 D44 D48 L49 N50 I51 P53 L89 L127F42-L46 HydrophobicContact CD1-CD1 4.43Å; F42-L46 HydrophobicContact CD2-CD1 4.11Å; F42-L46 HydrophobicContact CD2-CG 4.04Å; F42-L46 HydrophobicContact CE1-CD1 4.23Å; F42-L46 HydrophobicContact CE2-CD1 3.86Å; F42-L46 HydrophobicContact CE2-CD2 3.9Å; F42-L46 HydrophobicContact CE2-CG 3.8Å; F42-L46 HydrophobicContact CG-CD1 4.39Å; F42-L46 HydrophobicContact CZ-CD1 3.95Å; F42-L46 HydrophobicContact CZ-CD2 4.33Å; F42-L46 HydrophobicContact CZ-CG 4.34Å; F42-L46 VanDerWaalsContact O-CG 3.28Å; F42-L46 WeakPolarHBondContact O-CG 3.46Å; F42-L46 PolarHBondContact O-N 3.32Å; F42-L46 VanDerWaalsContact O-N 3.08Å; R43-L46 WeakPolarHBondContact O-CB 3.29Å; R43-L46 PolarHBondContact O-N 3Å; D44-L46 VanDerWaalsContact C-N 3.29Å; D44-L46 PolarHBondContact O-N 3.41Å; L46-D48 VanDerWaalsContact C-N 3.35Å; L46-D48 PolarHBondContact O-N 2.78Å; L46-L49 CarbonylContact O-C 3.52Å; L46-L49 WeakPolarHBondContact O-CA 3.32Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.87Å; L46-L49 VanDerWaalsContact O-N 3.09Å; L46-N50 PolarHBondContact O-N 3.18Å; L46-I51 CarbonylContact C-O 3.14Å; L46-I51 HydrophobicContact CB-CB 4.18Å; L46-I51 HydrophobicContact CB-CG2 4.4Å; L46-I51 HydrophobicContact CD2-CB 4.39Å; L46-I51 HydrophobicContact CD2-CD1 4.18Å; L46-I51 HydrophobicContact CD2-CG2 4.26Å; L46-I51 WeakPolarHBondContact O-CA 3.47Å; L46-I51 WeakPolarHBondContact O-CB 3.39Å; L46-I51 PolarHBondContact O-N 3.26Å; L46-I51 VanDerWaalsContact O-O 3.04Å; L46-P53 HydrophobicContact CB-CG 4.12Å; L46-P53 HydrophobicContact CD1-CB 3.72Å; L46-P53 HydrophobicContact CD1-CG 3.97Å; L46-L89 HydrophobicContact CD2-CD1 3.52Å; L46-L89 HydrophobicContact CD2-CD2 4.2Å; L46-L127 HydrophobicContact CD1-CD1 4.16Å; L46-L127 HydrophobicContact CD1-CD2 4.05Å; L46-L127 HydrophobicContact CD2-CD2 3.86Å
47L98Very high98Very high65 Ų6534.9 Ų34.934%0.3418%0.183SC..Hα-helixtrans-62.5-39.7177.2-70.8172.9000112.1R43 D44 L49 N50 I51 T52R43-L47 HydrophobicContact CG-CD1 3.94Å; R43-L47 HydrophobicContact CG-CG 4.44Å; R43-L47 WeakPolarHBondContact O-CG 3.45Å; R43-L47 PolarHBondContact O-N 3.33Å; D44-L47 PolarHBondContact O-N 2.95Å; D44-L47 VanDerWaalsContact O-N 3.15Å; L47-L49 PolarHBondContact O-N 3.16Å; L47-N50 WeakPolarHBondContact O-CA 3.28Å; L47-N50 PolarHBondContact O-N 3.23Å; L47-I51 PolarHBondContact N-O 3.43Å; L47-T52 HydrophobicContact CD2-CG2 4.47Å
48D97.4Very high97.9Very high139 Ų13931.2 Ų31.274%0.74317%0.165SC*.Hα-helixtrans-60.2-28.5174.4-76.7-14.6000112.5D44 L46 N50D44-D48 PolarHBondContact O-N 3.23Å; L46-D48 VanDerWaalsContact C-N 3.35Å; L46-D48 PolarHBondContact O-N 2.78Å; D48-N50 VanDerWaalsContact C-N 3.29Å
49L97.5Very high97.9Very high42 Ų4231 Ų3122%0.2217%0.165CC..THydrogen-bonded Turntrans-87.76.8174.1-64.7172.6000113.3L45 L46 L47 I51 K86 L89 A92L45-L49 HydrophobicContact CD2-CD1 4.06Å; L45-L49 PolarHBondContact O-N 2.99Å; L46-L49 CarbonylContact O-C 3.52Å; L46-L49 WeakPolarHBondContact O-CA 3.32Å; L46-L49 WeakPolarHBondContact O-CB 3.33Å; L46-L49 PolarHBondContact O-N 2.87Å; L46-L49 VanDerWaalsContact O-N 3.09Å; L47-L49 PolarHBondContact O-N 3.16Å; L49-I51 HydrophobicContact CB-CD1 4.04Å; L49-I51 HydrophobicContact CB-CG1 4.24Å; L49-I51 HydrophobicContact CD1-CD1 4.48Å; L49-I51 PolarHBondContact O-N 3.15Å; L49-K86 VanDerWaalsContact O-CG 3.3Å; L49-K86 WeakPolarHBondContact O-CG 3.39Å; L49-L89 HydrophobicContact CD1-CB 4.18Å; L49-L89 HydrophobicContact CD1-CD1 3.71Å; L49-A92 HydrophobicContact CD1-CB 4Å
50N97.6Very high97.9Very high121 Ų12131 Ų3165%0.64717%0.165SC*.THydrogen-bonded Turntrans57.734.7-172.4-59-78000113.2L46 L47 D48L46-N50 PolarHBondContact O-N 3.18Å; L47-N50 WeakPolarHBondContact O-CA 3.28Å; L47-N50 PolarHBondContact O-N 3.23Å; D48-N50 VanDerWaalsContact C-N 3.29Å
51I98Very high97.9Very high0 Ų031.1 Ų31.10%016%0.164CC..  trans-105.7111.2170.8-59.7167.5000106L46 L47 L49 P53 A80 L84 K86 L89L46-I51 CarbonylContact C-O 3.14Å; L46-I51 HydrophobicContact CB-CB 4.18Å; L46-I51 HydrophobicContact CB-CG2 4.4Å; L46-I51 HydrophobicContact CD2-CB 4.39Å; L46-I51 HydrophobicContact CD2-CD1 4.18Å; L46-I51 HydrophobicContact CD2-CG2 4.26Å; L46-I51 WeakPolarHBondContact O-CA 3.47Å; L46-I51 WeakPolarHBondContact O-CB 3.39Å; L46-I51 PolarHBondContact O-N 3.26Å; L46-I51 VanDerWaalsContact O-O 3.04Å; L47-I51 PolarHBondContact N-O 3.43Å; L49-I51 HydrophobicContact CB-CD1 4.04Å; L49-I51 HydrophobicContact CB-CG1 4.24Å; L49-I51 HydrophobicContact CD1-CD1 4.48Å; L49-I51 PolarHBondContact O-N 3.15Å; I51-P53 WeakPolarHBondContact O-CD 3.13Å; I51-A80 HydrophobicContact CG2-CB 3.61Å; I51-L84 WeakPolarHBondContact CG1-O 3.4Å; I51-K86 HydrophobicContact CD1-CB 4.31Å; I51-K86 HydrophobicContact CD1-CG 4.18Å; I51-K86 HydrophobicContact CG1-CG 4.06Å; I51-L89 HydrophobicContact CD1-CB 4.23Å; I51-L89 HydrophobicContact CD1-CD1 4.36Å; I51-L89 HydrophobicContact CD1-CD2 4.05Å; I51-L89 HydrophobicContact CD1-CG 4.45Å
52T97.7Very high97.8Very high53 Ų5327.4 Ų27.433%0.32515%0.15SC..  trans-84.8108.2177.3-52.80000109.8L47 L160L47-T52 HydrophobicContact CD2-CG2 4.47Å; T52-L160 HydrophobicContact CG2-CD1 3.92Å
53P98.4Very high97.8Very high3 Ų327.4 Ų27.42%0.01915%0.15CC..  trans-89.9160.8177.540-34.3000110.9R43 L46 I51 M78 A79 S171R43-P53 HydrophobicContact CB-CG 4.17Å; R43-P53 HydrophobicContact CG-CG 3.92Å; L46-P53 HydrophobicContact CB-CG 4.12Å; L46-P53 HydrophobicContact CD1-CB 3.72Å; L46-P53 HydrophobicContact CD1-CG 3.97Å; I51-P53 WeakPolarHBondContact O-CD 3.13Å; P53-M78 HydrophobicContact CB-CE 3.58Å; P53-M78 HydrophobicContact CB-SD 4.26Å; P53-M78 HydrophobicContact CG-CE 3.69Å; P53-A79 CarbonylContact C-O 2.82Å; P53-A79 VanDerWaalsContact CA-O 3.27Å; P53-A79 WeakPolarHBondContact CA-O 3.47Å; P53-S171 WeakPolarHBondContact O-CB 3.49Å
54Y98.6Very high97.8Very high9 Ų927.6 Ų27.64%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-143.8155.9174.650.5-87.3000111.1F56 M78 A79 V130 I157 L160 S171 P173Y54-F56 HydrophobicContact CD2-CD2 4.3Å; Y54-F56 AromaticContact CE2-CD2 3.86Å; Y54-F56 HydrophobicContact CE2-CD2 3.86Å; Y54-F56 HydrophobicContact CE2-CE2 4.29Å; Y54-M78 CarbonylContact O-C 3.53Å; Y54-M78 VanDerWaalsContact O-CA 3.28Å; Y54-M78 WeakPolarHBondContact O-CA 3.26Å; Y54-A79 WeakPolarHBondContact CD1-O 3.46Å; Y54-A79 HydrophobicContact CD2-CB 3.99Å; Y54-A79 HydrophobicContact CE1-CB 4.3Å; Y54-A79 WeakPolarHBondContact CE1-O 3.06Å; Y54-A79 HydrophobicContact CE2-CB 3.45Å; Y54-A79 VanDerWaalsContact CE2-CB 3.45Å; Y54-A79 PolarHBondContact N-O 2.93Å; Y54-A79 PolarHBondContact O-N 3.42Å; Y54-V130 WeakPolarHBondContact OH-CB 3.26Å; Y54-V130 WeakPolarHBondContact OH-CG2 3.4Å; Y54-I157 HydrophobicContact CE2-CD1 4.49Å; Y54-I157 HydrophobicContact CE2-CG2 4.32Å; Y54-L160 HydrophobicContact CD1-CD1 3.68Å; Y54-L160 HydrophobicContact CD1-CD2 3.57Å; Y54-L160 HydrophobicContact CD1-CG 4.29Å; Y54-L160 HydrophobicContact CD2-CD2 4.25Å; Y54-L160 HydrophobicContact CE1-CD1 4.31Å; Y54-L160 HydrophobicContact CE1-CD2 3.96Å; Y54-L160 HydrophobicContact CG-CD1 4.37Å; Y54-L160 HydrophobicContact CG-CD2 3.72Å; Y54-S171 CarbonylContact C-O 3.51Å; Y54-S171 WeakPolarHBondContact CA-O 3.46Å; Y54-S171 VanDerWaalsContact CB-C 3.5Å; Y54-S171 WeakPolarHBondContact CB-O 3.44Å; Y54-P173 HydrophobicContact CD2-CG 3.94Å; Y54-P173 HydrophobicContact CE2-CG 4.08Å
55L98.7Very high97.7Very high0 Ų024.7 Ų24.70%014%0.135CC..EExtended strand (participates in β ladder)trans-62.8140.1177.2-52.4-177.8000110.2L39 T59 L60 W63 L165 F170 S171 V172L39-L55 HydrophobicContact CD2-CD2 3.89Å; L55-T59 HydrophobicContact CB-CG2 4.41Å; L55-T59 HydrophobicContact CD2-CG2 3.92Å; L55-L60 HydrophobicContact CB-CB 4.4Å; L55-L60 HydrophobicContact CB-CD1 4.29Å; L55-W63 HydrophobicContact CD1-CB 3.98Å; L55-W63 HydrophobicContact CD1-CD2 4.45Å; L55-W63 HydrophobicContact CD1-CG 4.02Å; L55-L165 HydrophobicContact CD1-CB 4.49Å; L55-L165 HydrophobicContact CD1-CD2 3.91Å; L55-F170 HydrophobicContact CD1-CB 4.18Å; L55-F170 HydrophobicContact CD1-CG 4.49Å; L55-F170 HydrophobicContact CD2-CB 3.95Å; L55-F170 HydrophobicContact CD2-CD1 3.86Å; L55-F170 HydrophobicContact CD2-CD2 4.31Å; L55-F170 HydrophobicContact CD2-CE1 4.48Å; L55-F170 HydrophobicContact CD2-CG 3.77Å; L55-F170 HydrophobicContact CG-CB 3.87Å; L55-F170 HydrophobicContact CG-CG 4.23Å; L55-S171 PolarHBondContact N-O 2.99Å; L55-V172 HydrophobicContact CB-CG1 4.12Å; L55-V172 HydrophobicContact CD1-CG1 4.05Å; L55-V172 HydrophobicContact CG-CG1 4.14Å
56F98.3Very high97.5Very high4 Ų423.9 Ų23.92%0.01813%0.131CC..  trans-140.8177.5-177.3-151.7-118.2000111.5Y54 G58 T59 L60 D77 A79 F128 V139 Y154 I157 V179Y54-F56 HydrophobicContact CD2-CD2 4.3Å; Y54-F56 AromaticContact CE2-CD2 3.86Å; Y54-F56 HydrophobicContact CE2-CD2 3.86Å; Y54-F56 HydrophobicContact CE2-CE2 4.29Å; F56-G58 PolarHBondContact O-N 2.94Å; F56-T59 WeakPolarHBondContact O-CB 3.3Å; F56-T59 PolarHBondContact O-N 3.36Å; F56-T59 VanDerWaalsContact O-N 3.1Å; F56-L60 PolarHBondContact O-N 3.34Å; F56-D77 HydrophobicContact CB-CB 4.37Å; F56-D77 PolarHBondContact N-O 2.99Å; F56-D77 WeakPolarHBondContact O-CB 3.37Å; F56-A79 HydrophobicContact CB-CB 3.7Å; F56-A79 HydrophobicContact CD1-CB 3.97Å; F56-A79 HydrophobicContact CD2-CB 3.8Å; F56-A79 HydrophobicContact CE2-CB 4.43Å; F56-A79 HydrophobicContact CG-CB 3.54Å; F56-F128 HydrophobicContact CD1-CD2 4.27Å; F56-V139 HydrophobicContact CE1-CG1 3.93Å; F56-V139 HydrophobicContact CE1-CG2 4.43Å; F56-V139 HydrophobicContact CZ-CG1 4.18Å; F56-Y154 HydrophobicContact CE1-CE1 4.48Å; F56-Y154 HydrophobicContact CE1-CE2 4.12Å; F56-Y154 AromaticContact CE1-CZ 3.84Å; F56-Y154 HydrophobicContact CZ-CD1 4.3Å; F56-Y154 HydrophobicContact CZ-CD2 4.18Å; F56-Y154 AromaticContact CZ-CE1 3.79Å; F56-Y154 HydrophobicContact CZ-CE1 3.79Å; F56-Y154 AromaticContact CZ-CE2 3.67Å; F56-Y154 HydrophobicContact CZ-CE2 3.67Å; F56-Y154 HydrophobicContact CZ-CG 4.48Å; F56-Y154 AromaticContact CZ-CZ 3.47Å; F56-Y154 VanDerWaalsContact CZ-CZ 3.47Å; F56-I157 HydrophobicContact CE2-CD1 3.81Å; F56-I157 HydrophobicContact CZ-CD1 4.45Å; F56-V179 HydrophobicContact CE2-CG1 3.94Å
57G96.4Very high97.4Very high8 Ų825.3 Ų25.38%0.08214%0.14CC..Hα-helixtrans50.6-133.1169.800000115.4T59 L60 L61 Y184G57-T59 VanDerWaalsContact C-N 3.26Å; G57-T59 PolarHBondContact O-N 3.09Å; G57-L60 PolarHBondContact O-N 3.19Å; G57-L61 PolarHBondContact O-N 3.08Å; G57-Y184 PolarHBondContact O-OH 3.33Å
58G95.8Very high97.3Very high11 Ų1122.9 Ų22.911%0.11313%0.128CC..Hα-helixtrans-67.3-27.517900000112.9F56 L61 G62 I70 D77F56-G58 PolarHBondContact O-N 2.94Å; G58-L61 PolarHBondContact O-N 2.87Å; G58-G62 PolarHBondContact O-N 3.12Å; G58-I70 WeakPolarHBondContact O-CD1 3.16Å; G58-D77 PolarHBondContact N-OD2 2.77Å
59T98.1Very high97.2Very high5 Ų516.7 Ų16.73%0.03110%0.096CC..Hα-helixtrans-71-42.3177.7-57.30000112L39 L55 F56 G57 L61 G62 W63 L76 D77 L165L39-T59 HydrophobicContact CD2-CG2 4.35Å; L55-T59 HydrophobicContact CB-CG2 4.41Å; L55-T59 HydrophobicContact CD2-CG2 3.92Å; F56-T59 WeakPolarHBondContact O-CB 3.3Å; F56-T59 PolarHBondContact O-N 3.36Å; F56-T59 VanDerWaalsContact O-N 3.1Å; G57-T59 VanDerWaalsContact C-N 3.26Å; G57-T59 PolarHBondContact O-N 3.09Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-G62 PolarHBondContact O-N 3.1Å; T59-W63 WeakPolarHBondContact O-CB 3.26Å; T59-W63 PolarHBondContact O-N 2.69Å; T59-L76 HydrophobicContact CG2-CD2 4.37Å; T59-L76 WeakPolarHBondContact OG1-CA 3.48Å; T59-D77 PolarHBondContact OG1-N 3.47Å; T59-L165 HydrophobicContact CG2-CD2 4.34Å
60L98.4Very high97Very high0 Ų015.3 Ų15.30%09%0.088CC..Hα-helixtrans-62.7-41.8173.1-177.969.3000111L55 F56 G57 W63 Y64 V172 P173 V176 V179 L180L55-L60 HydrophobicContact CB-CB 4.4Å; L55-L60 HydrophobicContact CB-CD1 4.29Å; F56-L60 PolarHBondContact O-N 3.34Å; G57-L60 PolarHBondContact O-N 3.19Å; L60-W63 HydrophobicContact CD1-CE3 3.79Å; L60-W63 HydrophobicContact CD1-CZ3 3.91Å; L60-Y64 WeakPolarHBondContact O-CB 3.45Å; L60-Y64 PolarHBondContact O-N 3.36Å; L60-V172 HydrophobicContact CD1-CB 4.02Å; L60-V172 HydrophobicContact CD1-CG1 3.89Å; L60-P173 HydrophobicContact CD2-CG 4.26Å; L60-V176 HydrophobicContact CD1-CG1 4.14Å; L60-V176 HydrophobicContact CD2-CG1 4.44Å; L60-V176 HydrophobicContact CG-CG1 4.25Å; L60-V179 HydrophobicContact CD2-CB 4.35Å; L60-V179 HydrophobicContact CD2-CG1 3.85Å; L60-L180 HydrophobicContact CB-CD2 4.45Å; L60-L180 HydrophobicContact CD2-CD2 4.07Å; L60-L180 HydrophobicContact CD2-CG 4.4Å; L60-L180 HydrophobicContact CG-CD2 4.1Å
61L97Very high96.8Very high5 Ų510.4 Ų10.43%0.0266%0.063CC..Hα-helixtrans-62.1-50.8176.5176.462.2000111.1G57 G58 T59 W63 Y64 R65 I70 L180 Y184 W188G57-L61 PolarHBondContact O-N 3.08Å; G58-L61 PolarHBondContact O-N 2.87Å; T59-L61 VanDerWaalsContact C-N 3.33Å; L61-W63 PolarHBondContact O-N 3.08Å; L61-Y64 PolarHBondContact O-N 3.41Å; L61-R65 HydrophobicContact CD1-CB 4.1Å; L61-R65 WeakPolarHBondContact O-CB 3.33Å; L61-R65 PolarHBondContact O-N 2.85Å; L61-I70 HydrophobicContact CB-CD1 4.22Å; L61-I70 HydrophobicContact CD2-CD1 3.8Å; L61-I70 HydrophobicContact CG-CD1 3.95Å; L61-L180 HydrophobicContact CB-CD2 3.85Å; L61-L180 HydrophobicContact CD1-CD1 4.29Å; L61-L180 HydrophobicContact CD1-CD2 4.21Å; L61-Y184 HydrophobicContact CB-CE2 3.96Å; L61-Y184 HydrophobicContact CD1-CD2 4.46Å; L61-Y184 HydrophobicContact CD1-CE2 4.4Å; L61-Y184 HydrophobicContact CD2-CD1 4.2Å; L61-Y184 HydrophobicContact CD2-CD2 4.13Å; L61-Y184 HydrophobicContact CD2-CE1 3.71Å; L61-Y184 HydrophobicContact CD2-CE2 3.67Å; L61-Y184 HydrophobicContact CD2-CG 4.39Å; L61-Y184 VanDerWaalsContact CD2-CZ 3.44Å; L61-Y184 HydrophobicContact CG-CE2 4.22Å; L61-W188 HydrophobicContact CD1-CE3 4.05Å
62G96.6Very high96.3Very high0 Ų014.4 Ų14.40%08%0.081CC..Hα-helixtrans-56.8-50178.300000111.9G58 T59 Y64 E66 C67 S68 I70G58-G62 PolarHBondContact O-N 3.12Å; T59-G62 PolarHBondContact O-N 3.1Å; G62-Y64 PolarHBondContact O-N 2.6Å; G62-E66 CarbonylContact O-C 3.56Å; G62-E66 WeakPolarHBondContact O-CA 3.43Å; G62-E66 WeakPolarHBondContact O-CB 3.49Å; G62-E66 PolarHBondContact O-N 3.49Å; G62-C67 PolarHBondContact O-N 2.95Å; G62-S68 CarbonylContact C-O 3.6Å; G62-S68 WeakPolarHBondContact CA-O 2.84Å; G62-S68 PolarHBondContact O-N 2.98Å; G62-I70 VanDerWaalsContact CA-CG1 3.5Å
63W98.2Very high96Very high1 Ų113 Ų130%0.0047%0.073CC..Hα-helixtrans-56.5-55.2176.2164.974.5000111.2I7 C9 L55 T59 L60 L61 R65 C67 S68 A163 E164 L165 V172 V176I7-W63 HydrophobicContact CB-CH2 4.11Å; I7-W63 HydrophobicContact CB-CZ2 4.46Å; I7-W63 HydrophobicContact CG2-CH2 3.69Å; I7-W63 HydrophobicContact CG2-CZ2 4.21Å; I7-W63 WeakPolarHBondContact O-CZ2 3.37Å; C9-W63 WeakPolarHBondContact CB-O 3.4Å; L55-W63 HydrophobicContact CD1-CB 3.98Å; L55-W63 HydrophobicContact CD1-CD2 4.45Å; L55-W63 HydrophobicContact CD1-CG 4.02Å; T59-W63 WeakPolarHBondContact O-CB 3.26Å; T59-W63 PolarHBondContact O-N 2.69Å; L60-W63 HydrophobicContact CD1-CE3 3.79Å; L60-W63 HydrophobicContact CD1-CZ3 3.91Å; L61-W63 PolarHBondContact O-N 3.08Å; W63-R65 PolarHBondContact O-N 2.51Å; W63-C67 VanDerWaalsContact O-CA 3.29Å; W63-C67 WeakPolarHBondContact O-CA 3.34Å; W63-C67 PolarHBondContact O-N 2.71Å; W63-C67 VanDerWaalsContact O-N 3.07Å; W63-S68 PolarHBondContact N-O 3.02Å; W63-A163 HydrophobicContact CD2-CB 4.39Å; W63-A163 HydrophobicContact CH2-CB 4.02Å; W63-A163 HydrophobicContact CZ2-CB 3.31Å; W63-E164 PolarHBondContact NE1-O 2.84Å; W63-L165 HydrophobicContact CB-CD1 4.13Å; W63-L165 HydrophobicContact CB-CD2 4.48Å; W63-V172 HydrophobicContact CD2-CG1 4.32Å; W63-V172 HydrophobicContact CE3-CG1 3.93Å; W63-V172 HydrophobicContact CH2-CB 4.29Å; W63-V172 HydrophobicContact CH2-CG1 4.03Å; W63-V172 HydrophobicContact CH2-CG2 3.83Å; W63-V172 HydrophobicContact CZ2-CG1 4.42Å; W63-V172 HydrophobicContact CZ3-CB 4.11Å; W63-V172 HydrophobicContact CZ3-CG1 3.76Å; W63-V172 HydrophobicContact CZ3-CG2 4.13Å; W63-V176 HydrophobicContact CH2-CG2 4.17Å; W63-V176 HydrophobicContact CZ3-CG1 3.98Å; W63-V176 HydrophobicContact CZ3-CG2 3.83Å
64Y97.9Very high95.8Very high30 Ų3016.5 Ų16.512%0.11810%0.098CC..Hα-helixtrans-70.3-38.5-171.3-166.6-118.8000113.1I7 R10 L60 L61 G62 V176 V177 L180 W188I7-Y64 HydrophobicContact CG2-CE2 4.24Å; R10-Y64 WeakPolarHBondContact CB-O 3.45Å; R10-Y64 HydrophobicContact CG-CD1 4.45Å; R10-Y64 HydrophobicContact CG-CE1 4.11Å; R10-Y64 HydrophobicContact CG-CE2 4.19Å; R10-Y64 WeakPolarHBondContact CG-O 3.18Å; R10-Y64 PolarHBondContact N-O 2.63Å; L60-Y64 WeakPolarHBondContact O-CB 3.45Å; L60-Y64 PolarHBondContact O-N 3.36Å; L61-Y64 PolarHBondContact O-N 3.41Å; G62-Y64 PolarHBondContact O-N 2.6Å; Y64-V176 HydrophobicContact CD1-CG1 3.74Å; Y64-V176 HydrophobicContact CD2-CB 4.36Å; Y64-V176 HydrophobicContact CD2-CG1 3.72Å; Y64-V176 HydrophobicContact CE1-CG1 4.15Å; Y64-V176 HydrophobicContact CE2-CB 4.34Å; Y64-V176 HydrophobicContact CE2-CG1 4.14Å; Y64-V176 HydrophobicContact CG-CG1 3.5Å; Y64-V177 HydrophobicContact CE1-CG2 3.74Å; Y64-L180 HydrophobicContact CD1-CD1 3.63Å; Y64-L180 HydrophobicContact CG-CD1 4.18Å; Y64-W188 AromaticContact CD1-CH2 3.63Å; Y64-W188 HydrophobicContact CD1-CH2 3.63Å; Y64-W188 HydrophobicContact CD1-CZ2 4.46Å; Y64-W188 AromaticContact CD1-CZ3 3.79Å; Y64-W188 HydrophobicContact CD1-CZ3 3.79Å; Y64-W188 AromaticContact CE1-CH2 3.52Å; Y64-W188 HydrophobicContact CE1-CH2 3.52Å; Y64-W188 HydrophobicContact CE1-CZ2 4.09Å; Y64-W188 HydrophobicContact CE1-CZ3 4.18Å
65R96.1Very high95.7Very high6 Ų617.7 Ų17.72%0.02311%0.105CC..Hα-helixtrans-88.2-38.3-174.5-179.1176.672.4-168.31.9113.3M13 A14 I17 L61 W63 W188 R190M13-R65 HydrophobicContact CG-CG 4.28Å; M13-R65 HydrophobicContact SD-CB 4.37Å; M13-R65 HydrophobicContact SD-CG 3.82Å; A14-R65 WeakPolarHBondContact CA-O 3.3Å; A14-R65 PolarHBondContact N-O 2.7Å; I17-R65 HydrophobicContact CD1-CG 3.27Å; L61-R65 HydrophobicContact CD1-CB 4.1Å; L61-R65 WeakPolarHBondContact O-CB 3.33Å; L61-R65 PolarHBondContact O-N 2.85Å; W63-R65 PolarHBondContact O-N 2.51Å; R65-W188 HydrophobicContact CB-CZ3 4.31Å; R65-W188 PolarHBondContact NH1-O 2.65Å; R65-R190 PolarHBondContact NH1-O 2.92Å; R65-R190 VanDerWaalsContact NH1-O 3.13Å
66E94.8Very high95.6Very high0 Ų017.7 Ų17.70%011%0.105CC..Hα-helixtrans-119.4-3.8-166.5-57.5178.3-146.900113A14 R18 Y25 G62 S68 P71A14-E66 WeakPolarHBondContact CB-O 3.5Å; R18-E66 PolarHBondContact NH2-O 3.41Å; Y25-E66 VanDerWaalsContact CE1-OE2 3.28Å; Y25-E66 WeakPolarHBondContact CE1-OE2 3.29Å; Y25-E66 PolarHBondContact OH-OE2 3.29Å; G62-E66 CarbonylContact O-C 3.56Å; G62-E66 WeakPolarHBondContact O-CA 3.43Å; G62-E66 WeakPolarHBondContact O-CB 3.49Å; G62-E66 PolarHBondContact O-N 3.49Å; E66-S68 PolarHBondContact O-N 2.95Å; E66-P71 WeakPolarHBondContact OE2-CD 3.33Å
67C96.7Very high95.6Very high29 Ų2918.3 Ų18.320%0.19611%0.108CC..SBendtrans53.931.2-174.9-63.30000112.6C9 A14 G62 W63C9-C67 HydrophobicContact CB-CB 3.88Å; C9-C67 WeakPolarHBondContact CB-SG 3.4Å; C9-C67 WeakPolarHBondContact SG-CB 3.39Å; C9-C67 CovalentContact SG-SG 2.03Å; C9-C67 PolarHBondContact SG-SG 2.96Å; A14-C67 HydrophobicContact CB-CB 4.24Å; G62-C67 PolarHBondContact O-N 2.95Å; W63-C67 VanDerWaalsContact O-CA 3.29Å; W63-C67 WeakPolarHBondContact O-CA 3.34Å; W63-C67 PolarHBondContact O-N 2.71Å; W63-C67 VanDerWaalsContact O-N 3.07Å
68S96.1Very high95.7Very high14 Ų1418 Ų1810%0.09810%0.104CC..SBendtrans-167-171-172.6-171.20000110.1G62 W63 E66G62-S68 CarbonylContact C-O 3.6Å; G62-S68 WeakPolarHBondContact CA-O 2.84Å; G62-S68 PolarHBondContact O-N 2.98Å; W63-S68 PolarHBondContact N-O 3.02Å; E66-S68 PolarHBondContact O-N 2.95Å
69I95.3Very high95.9Very high10 Ų1017.5 Ų17.55%0.05110%0.099CC..  trans-84.2141.7168.8-61.5158.8000108.5L31 V35 I36 P71 T73 L76 L166L31-I69 HydrophobicContact CD1-CG2 4.48Å; V35-I69 HydrophobicContact CG1-CD1 3.26Å; I36-I69 HydrophobicContact CD1-CD1 3.73Å; I36-I69 HydrophobicContact CD1-CG1 4.06Å; I36-I69 HydrophobicContact CG1-CD1 3.9Å; I69-P71 WeakPolarHBondContact O-CD 3.33Å; I69-T73 HydrophobicContact CG2-CG2 3.49Å; I69-T73 VanDerWaalsContact CG2-CG2 3.49Å; I69-L76 HydrophobicContact CD1-CD2 4.31Å; I69-L76 HydrophobicContact CG1-CD2 4.17Å; I69-L76 HydrophobicContact CG2-CD2 4.06Å; I69-L166 HydrophobicContact CD1-CD1 4.43Å
70I93.4Very high95.9Very high13 Ų1317.2 Ų17.27%0.06710%0.097CC..  trans-63.2121175.6-56.7178.1000108.3G58 L61 G62 H72 T73G58-I70 WeakPolarHBondContact O-CD1 3.16Å; L61-I70 HydrophobicContact CB-CD1 4.22Å; L61-I70 HydrophobicContact CD2-CD1 3.8Å; L61-I70 HydrophobicContact CG-CD1 3.95Å; G62-I70 VanDerWaalsContact CA-CG1 3.5Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.47Å; I70-H72 WeakPolarHBondContact CG2-NE2 3.37Å; I70-H72 PolarHBondContact O-N 2.88Å; I70-T73 VanDerWaalsContact O-CG2 3.3Å; I70-T73 WeakPolarHBondContact O-CG2 3.37Å; I70-T73 PolarHBondContact O-N 3.14Å
71P91.5Very high95.8Very high18 Ų1818.1 Ų18.112%0.11710%0.104CC..THydrogen-bonded Turntrans-57.9-24.7-168-28.834.2000115.8S24 Y25 P29 I30 E66 I69S24-P71 WeakPolarHBondContact O-CB 3.33Å; Y25-P71 HydrophobicContact CD1-CG 3.6Å; Y25-P71 HydrophobicContact CE1-CG 3.55Å; Y25-P71 HydrophobicContact CG-CG 4.45Å; P29-P71 CarbonylContact C-O 3.57Å; P29-P71 WeakPolarHBondContact CA-O 3.39Å; P29-P71 HydrophobicContact CB-CB 4.22Å; I30-P71 PolarHBondContact N-O 3.07Å; E66-P71 WeakPolarHBondContact OE2-CD 3.33Å; I69-P71 WeakPolarHBondContact O-CD 3.33Å
72H88.9Confident95.8Very high83 Ų8319.2 Ų19.238%0.38411%0.109SC..THydrogen-bonded Turntrans-107.113-177.654.6-92.5000113.6I30 I70 I192I30-H72 WeakPolarHBondContact CD1-O 3.24Å; I70-H72 WeakPolarHBondContact CG2-CE1 3.47Å; I70-H72 WeakPolarHBondContact CG2-NE2 3.37Å; I70-H72 PolarHBondContact O-N 2.88Å; H72-I192 PolarHBondContact NE2-O 3.22Å
73T91.7Very high95.7Very high23 Ų2323.7 Ų23.714%0.14114%0.141CC..  trans-79.4147.9169.4-160.60000111.1I30 L31 I69 I70 D75I30-T73 WeakPolarHBondContact CB-O 3.33Å; I30-T73 WeakPolarHBondContact CG2-O 3.39Å; L31-T73 HydrophobicContact CD1-CG2 3.96Å; I69-T73 HydrophobicContact CG2-CG2 3.49Å; I69-T73 VanDerWaalsContact CG2-CG2 3.49Å; I70-T73 VanDerWaalsContact O-CG2 3.3Å; I70-T73 WeakPolarHBondContact O-CG2 3.37Å; I70-T73 PolarHBondContact O-N 3.14Å; T73-D75 WeakPolarHBondContact CG2-O 3.4Å; T73-D75 PolarHBondContact OG1-O 3.42Å
74S93Very high95.6Very high78 Ų7826.2 Ų26.255%0.54515%0.154SC..  trans-104.9-8.7-179.854.80000114.3
75D95.9Very high95.5Very high34 Ų3426.2 Ų26.218%0.18215%0.154CC..EExtended strand (participates in β ladder)trans-147.4168.5-177.5513.4000111.4T73 K124T73-D75 WeakPolarHBondContact CG2-O 3.4Å; T73-D75 PolarHBondContact OG1-O 3.42Å; D75-K124 WeakPolarHBondContact CA-O 3.18Å; D75-K124 HydrophobicContact CB-CB 4.14Å; D75-K124 WeakPolarHBondContact CB-O 3.39Å; D75-K124 WeakPolarHBondContact OD2-CE 3.5Å; D75-K124 IonicContact OD2-NZ 2.82Å; D75-K124 PolarHBondContact OD2-NZ 3.36Å
76L98.1Very high95.4Very high0 Ų029.9 Ų29.90%017%0.17CC..EExtended strand (participates in β ladder)trans-116.6151.9172.7-56.8177.7000110.1L31 V35 L39 T59 I69 K124 I125 D126L31-L76 HydrophobicContact CD1-CD2 3.91Å; L31-L76 HydrophobicContact CD1-CG 4.04Å; V35-L76 HydrophobicContact CB-CD1 4.34Å; V35-L76 HydrophobicContact CG1-CD1 3.82Å; V35-L76 HydrophobicContact CG2-CD1 3.63Å; V35-L76 HydrophobicContact CG2-CG 4.39Å; L39-L76 HydrophobicContact CB-CD1 4.09Å; L39-L76 HydrophobicContact CD1-CB 4.3Å; L39-L76 HydrophobicContact CD1-CD1 4.2Å; L39-L76 HydrophobicContact CD2-CD1 4.18Å; L39-L76 HydrophobicContact CG-CD1 4.38Å; T59-L76 HydrophobicContact CG2-CD2 4.37Å; T59-L76 WeakPolarHBondContact OG1-CA 3.48Å; I69-L76 HydrophobicContact CD1-CD2 4.31Å; I69-L76 HydrophobicContact CG1-CD2 4.17Å; I69-L76 HydrophobicContact CG2-CD2 4.06Å; L76-K124 PolarHBondContact N-O 2.97Å; L76-I125 HydrophobicContact CB-CG1 4.28Å; L76-I125 HydrophobicContact CB-CG2 4.41Å; L76-I125 HydrophobicContact CD1-CG1 4.43Å; L76-I125 CarbonylContact O-C 3.45Å; L76-I125 WeakPolarHBondContact O-CA 3.14Å; L76-D126 PolarHBondContact O-N 2.95Å
77D98.4Very high95.1Very high17 Ų1734.5 Ų34.59%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-126.1125.7-175.3-53.3-66.5000110.1F56 G58 T59 F128F56-D77 HydrophobicContact CB-CB 4.37Å; F56-D77 PolarHBondContact N-O 2.99Å; F56-D77 WeakPolarHBondContact O-CB 3.37Å; G58-D77 PolarHBondContact N-OD2 2.77Å; T59-D77 PolarHBondContact OG1-N 3.47Å; D77-F128 HydrophobicContact CB-CE2 4.15Å; D77-F128 WeakPolarHBondContact OD1-CE2 3.32Å
78M98.6Very high95Very high1 Ų134.8 Ų34.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-116.6159.6165.1-58.5-170.492.600109.9L39 F42 R43 P53 Y54 I125 D126 L127 F128 F170L39-M78 HydrophobicContact CD1-CE 4.36Å; L39-M78 HydrophobicContact CD1-CG 3.54Å; L39-M78 HydrophobicContact CD1-SD 3.53Å; L39-M78 VanDerWaalsContact CD1-SD 3.53Å; L39-M78 HydrophobicContact CG-SD 4.29Å; F42-M78 HydrophobicContact CD1-SD 4.15Å; R43-M78 HydrophobicContact CB-CE 4.01Å; P53-M78 HydrophobicContact CB-CE 3.58Å; P53-M78 HydrophobicContact CB-SD 4.26Å; P53-M78 HydrophobicContact CG-CE 3.69Å; Y54-M78 CarbonylContact O-C 3.53Å; Y54-M78 VanDerWaalsContact O-CA 3.28Å; Y54-M78 WeakPolarHBondContact O-CA 3.26Å; M78-I125 HydrophobicContact CG-CG2 4.23Å; M78-D126 PolarHBondContact N-O 3.38Å; M78-L127 HydrophobicContact CB-CD1 4.04Å; M78-L127 WeakPolarHBondContact O-CA 3.08Å; M78-F128 PolarHBondContact O-N 2.94Å; M78-F170 HydrophobicContact CE-CD1 4.19Å; M78-F170 HydrophobicContact CE-CE1 4.41Å
79A98.6Very high95Very high0 Ų034.1 Ų34.10%020%0.203CC..EExtended strand (participates in β ladder)trans-132156.216900000111.4P53 Y54 F56 F128 V130P53-A79 CarbonylContact C-O 2.82Å; P53-A79 VanDerWaalsContact CA-O 3.27Å; P53-A79 WeakPolarHBondContact CA-O 3.47Å; Y54-A79 WeakPolarHBondContact CD1-O 3.46Å; Y54-A79 HydrophobicContact CD2-CB 3.99Å; Y54-A79 HydrophobicContact CE1-CB 4.3Å; Y54-A79 WeakPolarHBondContact CE1-O 3.06Å; Y54-A79 HydrophobicContact CE2-CB 3.45Å; Y54-A79 VanDerWaalsContact CE2-CB 3.45Å; Y54-A79 PolarHBondContact N-O 2.93Å; Y54-A79 PolarHBondContact O-N 3.42Å; F56-A79 HydrophobicContact CB-CB 3.7Å; F56-A79 HydrophobicContact CD1-CB 3.97Å; F56-A79 HydrophobicContact CD2-CB 3.8Å; F56-A79 HydrophobicContact CE2-CB 4.43Å; F56-A79 HydrophobicContact CG-CB 3.54Å; A79-F128 CarbonylContact C-O 3.59Å; A79-F128 WeakPolarHBondContact CA-O 3.21Å; A79-F128 HydrophobicContact CB-CB 4.42Å; A79-V130 HydrophobicContact CB-CG2 3.93Å
80A98Very high94.9Very high0 Ų035.3 Ų35.30%021%0.209CC..EExtended strand (participates in β ladder)trans-142155.4170.200000109.6I51 I82 L127 F128 F129 V130I51-A80 HydrophobicContact CG2-CB 3.61Å; A80-I82 PolarHBondContact O-N 3.01Å; A80-L127 HydrophobicContact CB-CD1 4.17Å; A80-F128 PolarHBondContact N-O 3.01Å; A80-F129 HydrophobicContact CB-CD1 4.37Å; A80-F129 HydrophobicContact CB-CE1 4.11Å; A80-F129 CarbonylContact O-C 3.53Å; A80-F129 WeakPolarHBondContact O-CA 3.47Å; A80-V130 PolarHBondContact O-N 2.81Å
81S96.7Very high95Very high19 Ų1940.1 Ų40.113%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-69.3136.9174.1-168.60000110.7S83 L84S81-S83 PolarHBondContact O-N 2.8Å; S81-S83 PolarHBondContact OG-OG 2.89Å; S81-S83 VanDerWaalsContact OG-OG 3.11Å; S81-L84 WeakPolarHBondContact O-CB 3.28Å; S81-L84 PolarHBondContact O-N 2.97Å
82I96.5Very high95.2Very high27 Ų2740.4 Ų40.414%0.13824%0.235CC..G310 helixtrans-59.1-28175.3-168.863.2000112.8A80 L84 Y85 S111 L114 F129 V130 Y131A80-I82 PolarHBondContact O-N 3.01Å; I82-L84 PolarHBondContact O-N 3.06Å; I82-Y85 VanDerWaalsContact O-CB 3.26Å; I82-Y85 WeakPolarHBondContact O-CB 3.49Å; I82-Y85 PolarHBondContact O-N 3.36Å; I82-Y85 VanDerWaalsContact O-N 3.08Å; I82-S111 WeakPolarHBondContact CG1-OG 3.48Å; I82-L114 HydrophobicContact CD1-CB 4.32Å; I82-L114 HydrophobicContact CD1-CD2 3.92Å; I82-F129 HydrophobicContact CB-CB 4.17Å; I82-F129 HydrophobicContact CB-CD1 4.46Å; I82-F129 HydrophobicContact CD1-CB 3.71Å; I82-F129 HydrophobicContact CD1-CD1 3.92Å; I82-F129 HydrophobicContact CD1-CG 3.84Å; I82-F129 HydrophobicContact CG1-CB 4.49Å; I82-V130 PolarHBondContact N-O 2.75Å; I82-Y131 HydrophobicContact CB-CD1 4.13Å; I82-Y131 HydrophobicContact CB-CE1 4.02Å; I82-Y131 HydrophobicContact CB-CG 4.43Å; I82-Y131 HydrophobicContact CD1-CE1 4.24Å; I82-Y131 HydrophobicContact CG1-CD1 4.18Å; I82-Y131 HydrophobicContact CG1-CE1 3.61Å; I82-Y131 HydrophobicContact CG2-CD1 3.67Å; I82-Y131 HydrophobicContact CG2-CE1 4.01Å; I82-Y131 HydrophobicContact CG2-CG 4.04Å
83S94.8Very high95.5Very high95 Ų9536.4 Ų36.466%0.66422%0.217SC*.G310 helixtrans-65.1-19.1175.861.90000113.4S81S81-S83 PolarHBondContact O-N 2.8Å; S81-S83 PolarHBondContact OG-OG 2.89Å; S81-S83 VanDerWaalsContact OG-OG 3.11Å
84L95.7Very high95.7Very high54 Ų5439.2 Ų39.228%0.28323%0.23SC..G310 helixtrans-91.2-10.3176.6-59.2-179.9000112.6I51 S81 I82 K86I51-L84 WeakPolarHBondContact CG1-O 3.4Å; S81-L84 WeakPolarHBondContact O-CB 3.28Å; S81-L84 PolarHBondContact O-N 2.97Å; I82-L84 PolarHBondContact O-N 3.06Å; L84-K86 WeakPolarHBondContact O-CE 3.35Å; L84-K86 PolarHBondContact O-N 3.02Å
85Y95.9Very high95.8Very high30 Ų3042.2 Ų42.212%0.11823%0.234CC..  trans-52.2133.5-178.6175.6-97.2000111.9I82 P87 L89 V108 L114 F129I82-Y85 VanDerWaalsContact O-CB 3.26Å; I82-Y85 WeakPolarHBondContact O-CB 3.49Å; I82-Y85 PolarHBondContact O-N 3.36Å; I82-Y85 VanDerWaalsContact O-N 3.08Å; Y85-P87 HydrophobicContact CE1-CG 4.38Å; Y85-L89 HydrophobicContact CE2-CD2 4.41Å; Y85-V108 HydrophobicContact CE1-CG1 3.55Å; Y85-V108 WeakPolarHBondContact OH-CG1 3.47Å; Y85-L114 HydrophobicContact CD2-CD2 3.59Å; Y85-L114 HydrophobicContact CE2-CD2 3.66Å; Y85-L114 HydrophobicContact CG-CD2 4.21Å; Y85-F129 AromaticContact CD2-CE1 3.93Å; Y85-F129 HydrophobicContact CD2-CE1 3.93Å; Y85-F129 HydrophobicContact CD2-CE2 4.03Å; Y85-F129 AromaticContact CD2-CZ 3.58Å; Y85-F129 HydrophobicContact CD2-CZ 3.58Å; Y85-F129 HydrophobicContact CE2-CZ 4.42Å; Y85-F129 HydrophobicContact CG-CE1 4.4Å; Y85-F129 HydrophobicContact CG-CZ 4.47Å
86K94.4Very high95.7Very high82 Ų8242.3 Ų42.336%0.35723%0.233SC..  trans-117.3130.6175-55.6-57.4178.5-177.80109.8L49 I51 L84 G88 L89L49-K86 VanDerWaalsContact O-CG 3.3Å; L49-K86 WeakPolarHBondContact O-CG 3.39Å; I51-K86 HydrophobicContact CD1-CB 4.31Å; I51-K86 HydrophobicContact CD1-CG 4.18Å; I51-K86 HydrophobicContact CG1-CG 4.06Å; L84-K86 WeakPolarHBondContact O-CE 3.35Å; L84-K86 PolarHBondContact O-N 3.02Å; K86-G88 PolarHBondContact O-N 3.02Å; K86-L89 VanDerWaalsContact O-CB 3.29Å; K86-L89 WeakPolarHBondContact O-CB 3.37Å; K86-L89 PolarHBondContact O-N 3.36Å
87P89.6Confident95.5Very high98 Ų9848.3 Ų48.364%0.63627%0.27SS*.THydrogen-bonded Turntrans-54.7-28.2172.8-27.435.3000113.6Y85 L89Y85-P87 HydrophobicContact CE1-CG 4.38Å; P87-L89 PolarHBondContact O-N 2.84Å
88G93.9Very high95.3Very high35 Ų3552 Ų5236%0.36128%0.283SS..Hα-helixtrans-65.3-17.3176.100000115.2K86 I90 H91 A92K86-G88 PolarHBondContact O-N 3.02Å; G88-I90 PolarHBondContact O-N 3.2Å; G88-H91 PolarHBondContact O-N 3.2Å; G88-A92 PolarHBondContact O-N 3.2Å
89L96.1Very high95.2Very high0 Ų052 Ų520%028%0.282CS..Hα-helixtrans-57.9-47.7-178.3175.259.2000112.4L45 L46 L49 I51 Y85 K86 P87 H91 A92 L93 L116 L127 F129L45-L89 HydrophobicContact CD2-CD1 4.11Å; L46-L89 HydrophobicContact CD2-CD1 3.52Å; L46-L89 HydrophobicContact CD2-CD2 4.2Å; L49-L89 HydrophobicContact CD1-CB 4.18Å; L49-L89 HydrophobicContact CD1-CD1 3.71Å; I51-L89 HydrophobicContact CD1-CB 4.23Å; I51-L89 HydrophobicContact CD1-CD1 4.36Å; I51-L89 HydrophobicContact CD1-CD2 4.05Å; I51-L89 HydrophobicContact CD1-CG 4.45Å; Y85-L89 HydrophobicContact CE2-CD2 4.41Å; K86-L89 VanDerWaalsContact O-CB 3.29Å; K86-L89 WeakPolarHBondContact O-CB 3.37Å; K86-L89 PolarHBondContact O-N 3.36Å; P87-L89 PolarHBondContact O-N 2.84Å; L89-H91 VanDerWaalsContact C-N 3.3Å; L89-H91 PolarHBondContact O-N 2.77Å; L89-A92 PolarHBondContact O-N 2.95Å; L89-L93 HydrophobicContact CD1-CD1 3.88Å; L89-L93 HydrophobicContact CD1-CG 4.06Å; L89-L93 HydrophobicContact CG-CD1 4.04Å; L89-L93 WeakPolarHBondContact O-CG 3.27Å; L89-L93 PolarHBondContact O-N 3.49Å; L89-L116 HydrophobicContact CD2-CD2 4.2Å; L89-L127 HydrophobicContact CD2-CD2 4.11Å; L89-F129 HydrophobicContact CD2-CE2 4.42Å; L89-F129 HydrophobicContact CD2-CZ 4Å
90I94.3Very high95Very high34 Ų3453.8 Ų53.817%0.17429%0.293CS..Hα-helixtrans-62.8-42.4-179.8-63.1175.4000109.8G88 L93 L94 L101 V104 L116G88-I90 PolarHBondContact O-N 3.2Å; I90-L93 PolarHBondContact O-N 2.82Å; I90-L94 HydrophobicContact CG2-CD1 4.05Å; I90-L94 HydrophobicContact CG2-CG 4.41Å; I90-L94 VanDerWaalsContact O-CG 3.24Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 3.03Å; I90-L101 HydrophobicContact CG2-CD2 4.03Å; I90-V104 HydrophobicContact CD1-CG2 4.25Å; I90-V104 HydrophobicContact CG1-CG2 4.45Å; I90-L116 HydrophobicContact CG1-CD2 4.24Å
91H94.3Very high94.9Very high115 Ų11554 Ų5453%0.53229%0.294SS..Hα-helixtrans-65.1-39.6178.4-174.265.3000112.7G88 L89 L94 K95G88-H91 PolarHBondContact O-N 3.2Å; L89-H91 VanDerWaalsContact C-N 3.3Å; L89-H91 PolarHBondContact O-N 2.77Å; H91-L94 PolarHBondContact O-N 3.29Å; H91-K95 WeakPolarHBondContact NE2-CE 3.45Å; H91-K95 PolarHBondContact NE2-NZ 2.96Å; H91-K95 PolarHBondContact O-N 3.03Å
92A96.2Very high94.9Very high23 Ų2356.1 Ų56.119%0.1930%0.3CS..Hα-helixtrans-61-51.5174.200000110.7L49 G88 L89 L94 K95 E96L49-A92 HydrophobicContact CD1-CB 4Å; G88-A92 PolarHBondContact O-N 3.2Å; L89-A92 PolarHBondContact O-N 2.95Å; A92-L94 VanDerWaalsContact C-N 3.28Å; A92-L94 PolarHBondContact O-N 3.12Å; A92-K95 WeakPolarHBondContact O-CB 3.48Å; A92-K95 PolarHBondContact O-N 3.36Å; A92-E96 PolarHBondContact O-N 3.5Å
93L95.9Very high94.8Very high0 Ų056.7 Ų56.70%030%0.3CS..Hα-helixtrans-61.3-31.7179.1-71.7173.8000113.7F42 L45 L89 I90 K95 E96 L99 L101 L116 V118F42-L93 HydrophobicContact CD2-CD2 4.41Å; F42-L93 HydrophobicContact CE2-CD2 3.91Å; L45-L93 HydrophobicContact CD1-CD2 4.38Å; L45-L93 HydrophobicContact CD2-CD2 4.18Å; L89-L93 HydrophobicContact CD1-CD1 3.88Å; L89-L93 HydrophobicContact CD1-CG 4.06Å; L89-L93 HydrophobicContact CG-CD1 4.04Å; L89-L93 WeakPolarHBondContact O-CG 3.27Å; L89-L93 PolarHBondContact O-N 3.49Å; I90-L93 PolarHBondContact O-N 2.82Å; L93-K95 PolarHBondContact O-N 3.18Å; L93-E96 PolarHBondContact O-N 3.31Å; L93-L99 HydrophobicContact CD2-CD1 4.3Å; L93-L101 HydrophobicContact CB-CB 4.3Å; L93-L101 HydrophobicContact CD1-CD1 4.15Å; L93-L116 HydrophobicContact CD1-CD2 4.29Å; L93-V118 HydrophobicContact CD1-CG1 4.12Å; L93-V118 HydrophobicContact CD2-CG1 3.8Å
94L94.6Very high94.9Very high81 Ų8152.1 Ų52.142%0.42427%0.269SS..Hα-helixtrans-68.8-23.8176-73.6172.5000113.3I90 H91 A92 L101 F224 R228I90-L94 HydrophobicContact CG2-CD1 4.05Å; I90-L94 HydrophobicContact CG2-CG 4.41Å; I90-L94 VanDerWaalsContact O-CG 3.24Å; I90-L94 WeakPolarHBondContact O-CG 3.46Å; I90-L94 PolarHBondContact O-N 3.03Å; H91-L94 PolarHBondContact O-N 3.29Å; A92-L94 VanDerWaalsContact C-N 3.28Å; A92-L94 PolarHBondContact O-N 3.12Å; L94-L101 HydrophobicContact CD2-CD2 4.15Å; L94-L101 HydrophobicContact CG-CD2 4.35Å; L94-F224 HydrophobicContact CD2-CD1 3.76Å; L94-F224 HydrophobicContact CD2-CE1 4.17Å; L94-R228 PolarHBondContact O-NH2 3.01Å; L94-R228 VanDerWaalsContact O-NH2 3.08Å
95K94.7Very high94.9Very high142 Ų14249.7 Ų49.762%0.61726%0.256SS*.Hα-helixtrans-88.1-17.2177.2-68177.1175-176.30113.3H91 A92 L93H91-K95 WeakPolarHBondContact NE2-CE 3.45Å; H91-K95 PolarHBondContact NE2-NZ 2.96Å; H91-K95 PolarHBondContact O-N 3.03Å; A92-K95 WeakPolarHBondContact O-CB 3.48Å; A92-K95 PolarHBondContact O-N 3.36Å; L93-K95 PolarHBondContact O-N 3.18Å
96E94.7Very high94.8Very high35 Ų3548.3 Ų48.316%0.16425%0.25CS..  trans-65.8142.9-179.5-75.1-55.9126.700112.9Y41 L45 A92 L93 L99 R228Y41-E96 VanDerWaalsContact CE1-OE2 3.3Å; Y41-E96 WeakPolarHBondContact CE1-OE2 3.47Å; Y41-E96 PolarHBondContact OH-OE2 2.99Å; L45-E96 VanDerWaalsContact CD1-CD 3.45Å; L45-E96 HydrophobicContact CD1-CG 3.39Å; L45-E96 WeakPolarHBondContact CD1-OE1 3.22Å; A92-E96 PolarHBondContact O-N 3.5Å; L93-E96 PolarHBondContact O-N 3.31Å; E96-L99 HydrophobicContact CB-CB 4.02Å; E96-L99 VanDerWaalsContact CB-O 3.25Å; E96-L99 WeakPolarHBondContact CB-O 3.46Å; E96-L99 HydrophobicContact CG-CB 4.35Å; E96-R228 PolarHBondContact O-NH1 3.46Å; E96-R228 VanDerWaalsContact O-NH1 3.11Å; E96-R228 PolarHBondContact O-NH2 2.96Å
97T92.7Very high94.5Very high127 Ų12747.4 Ų47.478%0.77925%0.247SC*.SBendtrans-104.2-30.2174.557.10000112
98R95.1Very high94.2Very high95 Ų9544.4 Ų44.436%0.35823%0.226SC..SBendtrans-80.4-32.6176.7-173.9174179.2178.91.4112.8D37 D38 Y41D37-R98 VanDerWaalsContact C-NH2 3.26Å; D37-R98 PolarHBondContact O-NH2 2.89Å; D37-R98 VanDerWaalsContact O-NH2 3.16Å; D38-R98 IonicContact OD1-CZ 2.81Å; D38-R98 VanDerWaalsContact OD1-CZ 3.24Å; D38-R98 IonicContact OD1-NE 3.48Å; D38-R98 PolarHBondContact OD1-NE 3.34Å; D38-R98 IonicContact OD1-NH2 3.58Å; D38-R98 PolarHBondContact OD1-NH2 3.17Å; Y41-R98 HydrophobicContact CD1-CB 4.44Å; Y41-R98 HydrophobicContact CD1-CG 4.34Å; Y41-R98 HydrophobicContact CE1-CB 4.04Å; Y41-R98 HydrophobicContact CE1-CG 4.43Å
99L95.6Very high93.6Very high0 Ų049.8 Ų49.80%025%0.246CC..SBendtrans-111.6123.7178.2-57.4174.9000109.3Y41 F42 L45 L93 E96 V118 T120Y41-L99 HydrophobicContact CD1-CD1 3.75Å; Y41-L99 HydrophobicContact CD1-CD2 4.32Å; Y41-L99 HydrophobicContact CD1-CG 3.85Å; Y41-L99 HydrophobicContact CE1-CD1 3.89Å; Y41-L99 HydrophobicContact CE1-CG 3.97Å; F42-L99 HydrophobicContact CB-CD1 3.87Å; F42-L99 HydrophobicContact CB-CD2 4.3Å; F42-L99 HydrophobicContact CD2-CD1 3.68Å; F42-L99 HydrophobicContact CG-CD1 4.04Å; L45-L99 HydrophobicContact CD1-CD1 4.24Å; L93-L99 HydrophobicContact CD2-CD1 4.3Å; E96-L99 HydrophobicContact CB-CB 4.02Å; E96-L99 VanDerWaalsContact CB-O 3.25Å; E96-L99 WeakPolarHBondContact CB-O 3.46Å; E96-L99 HydrophobicContact CG-CB 4.35Å; L99-V118 HydrophobicContact CB-CB 4.4Å; L99-V118 HydrophobicContact CD2-CG2 4.19Å; L99-T120 HydrophobicContact CD2-CG2 3.53Å
100V95.6Very high93Very high37 Ų3754.9 Ų54.922%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-105.1113.2176.2-176.20000108.7Y102 V118 L119 L225V100-Y102 PolarHBondContact O-N 2.9Å; V100-V118 CarbonylContact O-C 3.55Å; V100-V118 WeakPolarHBondContact O-CA 3.39Å; V100-L119 HydrophobicContact CB-CB 4.43Å; V100-L119 PolarHBondContact N-O 2.83Å; V100-L119 PolarHBondContact O-N 3.09Å; V100-L225 HydrophobicContact CG1-CD2 3.75Å
101L96.6Very high92.6Very high5 Ų555.6 Ų55.63%0.02629%0.287CS..EExtended strand (participates in β ladder)trans-56.3116.2171.9-177.557.7000109.6I90 L93 L94 V104 L116 F224I90-L101 HydrophobicContact CG2-CD2 4.03Å; L93-L101 HydrophobicContact CB-CB 4.3Å; L93-L101 HydrophobicContact CD1-CD1 4.15Å; L94-L101 HydrophobicContact CD2-CD2 4.15Å; L94-L101 HydrophobicContact CG-CD2 4.35Å; L101-V104 HydrophobicContact CD1-CG2 4.13Å; L101-V104 HydrophobicContact CD2-CG2 4.22Å; L101-L116 HydrophobicContact CD1-CD2 4.44Å; L101-F224 HydrophobicContact CB-CB 4.46Å; L101-F224 HydrophobicContact CD2-CD1 3.99Å; L101-F224 HydrophobicContact CD2-CD2 3.84Å; L101-F224 HydrophobicContact CD2-CE1 4.08Å; L101-F224 HydrophobicContact CD2-CE2 3.96Å; L101-F224 HydrophobicContact CD2-CG 3.86Å; L101-F224 HydrophobicContact CD2-CZ 4.07Å; L101-F224 HydrophobicContact CG-CB 4.23Å; L101-F224 HydrophobicContact CG-CD2 3.89Å; L101-F224 HydrophobicContact CG-CE2 4.42Å; L101-F224 HydrophobicContact CG-CG 3.99Å; L101-F224 VanDerWaalsContact O-CB 3.26Å; L101-F224 WeakPolarHBondContact O-CB 3.44Å
102Y95.7Very high92.5Very high64 Ų6451.5 Ų51.525%0.25127%0.269SS..EExtended strand (participates in β ladder)trans-86.3-60-180176.3-143000110.8V100 S117 L119 K124 V223 F224 L225V100-Y102 PolarHBondContact O-N 2.9Å; Y102-S117 WeakPolarHBondContact CB-O 3.17Å; Y102-S117 PolarHBondContact N-O 2.87Å; Y102-L119 HydrophobicContact CG-CG 4.42Å; Y102-K124 HydrophobicContact CD1-CD 4.35Å; Y102-V223 HydrophobicContact CD2-CG1 4.48Å; Y102-V223 HydrophobicContact CE2-CG1 4.28Å; Y102-F224 PolarHBondContact O-N 3.17Å; Y102-L225 HydrophobicContact CD2-CB 4.31Å; Y102-L225 HydrophobicContact CD2-CD1 3.14Å; Y102-L225 HydrophobicContact CD2-CG 3.69Å; Y102-L225 HydrophobicContact CE2-CD1 3.42Å; Y102-L225 VanDerWaalsContact CE2-CD1 3.42Å; Y102-L225 HydrophobicContact CE2-CG 4.31Å; Y102-L225 HydrophobicContact CG-CD1 4.18Å
103W95.3Very high92.4Very high38 Ų3850.5 Ų50.514%0.14426%0.261CS..EExtended strand (participates in β ladder)trans-147.2164.2178.560.327.5000112.5L105 L116 S117 F221 Q222 V223W103-L105 HydrophobicContact CB-CD2 4.06Å; W103-L105 HydrophobicContact CD2-CD1 4.1Å; W103-L105 HydrophobicContact CD2-CD2 3.85Å; W103-L105 HydrophobicContact CD2-CG 4.12Å; W103-L105 HydrophobicContact CE3-CD2 4.27Å; W103-L105 HydrophobicContact CG-CD1 4.41Å; W103-L105 HydrophobicContact CG-CD2 3.74Å; W103-L105 HydrophobicContact CG-CG 3.94Å; W103-L105 HydrophobicContact CZ2-CD1 3.98Å; W103-L116 WeakPolarHBondContact O-CA 3.32Å; W103-S117 VanDerWaalsContact NE1-CB 3.28Å; W103-S117 PolarHBondContact NE1-OG 3.36Å; W103-S117 PolarHBondContact O-N 3.03Å; W103-F221 HydrophobicContact CE3-CE2 4.03Å; W103-F221 HydrophobicContact CE3-CZ 4.3Å; W103-F221 HydrophobicContact CZ3-CE2 4.3Å; W103-Q222 CarbonylContact C-O 3.45Å; W103-Q222 WeakPolarHBondContact CA-O 3.49Å; W103-Q222 VanDerWaalsContact CB-O 3.26Å; W103-Q222 WeakPolarHBondContact CB-O 3.12Å; W103-V223 HydrophobicContact CB-CG2 4.38Å
104V95.2Very high92.4Very high0 Ų050.5 Ų50.50%026%0.261CS..EExtended strand (participates in β ladder)trans-126.1123165179.70000106.7I90 L101 V108 L114 L116 Q222 F224I90-V104 HydrophobicContact CD1-CG2 4.25Å; I90-V104 HydrophobicContact CG1-CG2 4.45Å; L101-V104 HydrophobicContact CD1-CG2 4.13Å; L101-V104 HydrophobicContact CD2-CG2 4.22Å; V104-V108 HydrophobicContact CG1-CG2 4.33Å; V104-L114 HydrophobicContact CG1-CD1 3.81Å; V104-L116 HydrophobicContact CB-CG 4.43Å; V104-L116 HydrophobicContact CG1-CG 4.18Å; V104-L116 HydrophobicContact CG2-CD2 3.91Å; V104-L116 HydrophobicContact CG2-CG 3.96Å; V104-Q222 HydrophobicContact CB-CB 4.42Å; V104-Q222 PolarHBondContact N-O 2.87Å; V104-Q222 PolarHBondContact O-N 2.8Å; V104-F224 HydrophobicContact CB-CE2 4.12Å; V104-F224 HydrophobicContact CG2-CD2 4.41Å; V104-F224 HydrophobicContact CG2-CE2 3.62Å; V104-F224 HydrophobicContact CG2-CZ 4.23Å
105L95.4Very high92.5Very high2 Ų247.2 Ų47.21%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-112.9145.4-176-56.7-166.6000109.3W103 L114 E115 M142 V220 F221W103-L105 HydrophobicContact CB-CD2 4.06Å; W103-L105 HydrophobicContact CD2-CD1 4.1Å; W103-L105 HydrophobicContact CD2-CD2 3.85Å; W103-L105 HydrophobicContact CD2-CG 4.12Å; W103-L105 HydrophobicContact CE3-CD2 4.27Å; W103-L105 HydrophobicContact CG-CD1 4.41Å; W103-L105 HydrophobicContact CG-CD2 3.74Å; W103-L105 HydrophobicContact CG-CG 3.94Å; W103-L105 HydrophobicContact CZ2-CD1 3.98Å; L105-L114 WeakPolarHBondContact O-CA 3.44Å; L105-L114 WeakPolarHBondContact O-CD1 3.46Å; L105-E115 HydrophobicContact CB-CB 4.13Å; L105-E115 WeakPolarHBondContact CD1-OE1 3.43Å; L105-E115 PolarHBondContact N-O 2.84Å; L105-E115 PolarHBondContact O-N 2.7Å; L105-M142 HydrophobicContact CB-CE 3.58Å; L105-M142 HydrophobicContact CB-CG 4.43Å; L105-M142 HydrophobicContact CB-SD 3.81Å; L105-M142 HydrophobicContact CD1-CE 4.5Å; L105-M142 HydrophobicContact CD1-CG 3.69Å; L105-M142 HydrophobicContact CD1-SD 3.71Å; L105-M142 HydrophobicContact CD2-CE 4.41Å; L105-M142 HydrophobicContact CD2-SD 3.67Å; L105-M142 HydrophobicContact CG-CE 4.37Å; L105-M142 HydrophobicContact CG-SD 3.93Å; L105-V220 CarbonylContact C-O 3.38Å; L105-V220 VanDerWaalsContact CA-O 3.22Å; L105-V220 WeakPolarHBondContact CA-O 3.1Å; L105-F221 HydrophobicContact CD2-CD2 3.48Å; L105-F221 VanDerWaalsContact CD2-CD2 3.48Å; L105-F221 HydrophobicContact CD2-CE2 3.78Å; L105-F221 HydrophobicContact CD2-CG 4.48Å
106G94.3Very high92.5Very high1 Ų140.5 Ų40.51%0.0121%0.214CC..EExtended strand (participates in β ladder)trans82.6-174.8-179.600000114S113 M142 V220G106-S113 WeakPolarHBondContact CA-O 3.25Å; G106-M142 VanDerWaalsContact N-CE 3.34Å; G106-V220 PolarHBondContact N-O 3.43Å; G106-V220 WeakPolarHBondContact O-CA 3.42Å
107K89.1Confident92.7Very high64 Ų6438.9 Ų38.928%0.27821%0.207SC..EExtended strand (participates in β ladder)trans-93136179-59.8176.6-176.21590109.9P110 S111 D112 E216 V220K107-P110 WeakPolarHBondContact CB-O 3.3Å; K107-S111 VanDerWaalsContact O-CA 3.26Å; K107-S111 WeakPolarHBondContact O-CA 3.4Å; K107-D112 HydrophobicContact CB-CB 4.13Å; K107-D112 HydrophobicContact CD-CB 4.12Å; K107-D112 HydrophobicContact CG-CB 4.38Å; K107-D112 PolarHBondContact N-O 2.97Å; K107-D112 PolarHBondContact O-N 2.88Å; K107-E216 WeakPolarHBondContact CE-OE1 3.45Å; K107-E216 IonicContact NZ-OE1 2.65Å; K107-E216 PolarHBondContact NZ-OE1 3.11Å; K107-V220 HydrophobicContact CG-CG1 3.57Å
108V82.4Confident92.9Very high34 Ų3432.9 Ų32.921%0.20617%0.17CC..THydrogen-bonded Turntrans-84.8-48.9173.7-179.70000110.9Y85 V104 S111 L114Y85-V108 HydrophobicContact CE1-CG1 3.55Å; Y85-V108 WeakPolarHBondContact OH-CG1 3.47Å; V104-V108 HydrophobicContact CG1-CG2 4.33Å; V108-S111 VanDerWaalsContact O-CA 3.29Å; V108-S111 WeakPolarHBondContact O-CA 3.39Å; V108-S111 WeakPolarHBondContact O-CB 3.36Å; V108-S111 PolarHBondContact O-N 3.11Å; V108-L114 HydrophobicContact CG2-CD1 3.92Å
109L81.7Confident93Very high148 Ų14830.8 Ų30.878%0.77517%0.166SC*.THydrogen-bonded Turntrans-140.3118.9179.3-72.2171.8000110.5
110P84.3Confident92.9Very high107 Ų10731.9 Ų31.970%0.69517%0.172SC*.THydrogen-bonded Turncis-60144.6-14.429.5-35.2000110.2K107 D112K107-P110 WeakPolarHBondContact CB-O 3.3Å; P110-D112 PolarHBondContact O-N 2.65Å
111S84.7Confident92.8Very high49 Ų4940.2 Ų40.234%0.34321%0.205SC..THydrogen-bonded Turntrans-68.5127.6-177.461.60000110.9I82 K107 V108 Y131I82-S111 WeakPolarHBondContact CG1-OG 3.48Å; K107-S111 VanDerWaalsContact O-CA 3.26Å; K107-S111 WeakPolarHBondContact O-CA 3.4Å; V108-S111 VanDerWaalsContact O-CA 3.29Å; V108-S111 WeakPolarHBondContact O-CA 3.39Å; V108-S111 WeakPolarHBondContact O-CB 3.36Å; V108-S111 PolarHBondContact O-N 3.11Å; S111-Y131 WeakPolarHBondContact O-CE1 3.41Å
112D92.2Very high92.6Very high29 Ų2941.9 Ų41.916%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-154.3117.4174.9174.720.6000109.4K107 P110 L114 Y131 K149K107-D112 HydrophobicContact CB-CB 4.13Å; K107-D112 HydrophobicContact CD-CB 4.12Å; K107-D112 HydrophobicContact CG-CB 4.38Å; K107-D112 PolarHBondContact N-O 2.97Å; K107-D112 PolarHBondContact O-N 2.88Å; P110-D112 PolarHBondContact O-N 2.65Å; D112-L114 VanDerWaalsContact C-N 3.28Å; D112-L114 PolarHBondContact O-N 2.96Å; D112-Y131 WeakPolarHBondContact CA-OH 3.3Å; D112-Y131 PolarHBondContact N-OH 2.83Å; D112-K149 WeakPolarHBondContact OD1-CE 3.47Å; D112-K149 IonicContact OD1-NZ 3.88Å; D112-K149 PolarHBondContact OD1-NZ 3.19Å; D112-K149 IonicContact OD2-NZ 3.16Å; D112-K149 PolarHBondContact OD2-NZ 2.84Å
113S93.9Very high92.6Very high2 Ų239.6 Ų39.61%0.01421%0.213CC..EExtended strand (participates in β ladder)trans60.335.4176-53.10000113.9G106 Y131 K149G106-S113 WeakPolarHBondContact CA-O 3.25Å; S113-Y131 PolarHBondContact N-OH 2.83Å; S113-Y131 VanDerWaalsContact N-OH 3.11Å; S113-K149 WeakPolarHBondContact OG-CE 3.42Å
114L96.2Very high92.6Very high1 Ų139.7 Ų39.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-69.2128.4-178.3-177.564.2000111.5I82 Y85 V104 L105 V108 D112 L116 F129 Y131I82-L114 HydrophobicContact CD1-CB 4.32Å; I82-L114 HydrophobicContact CD1-CD2 3.92Å; Y85-L114 HydrophobicContact CD2-CD2 3.59Å; Y85-L114 HydrophobicContact CE2-CD2 3.66Å; Y85-L114 HydrophobicContact CG-CD2 4.21Å; V104-L114 HydrophobicContact CG1-CD1 3.81Å; L105-L114 WeakPolarHBondContact O-CA 3.44Å; L105-L114 WeakPolarHBondContact O-CD1 3.46Å; V108-L114 HydrophobicContact CG2-CD1 3.92Å; D112-L114 VanDerWaalsContact C-N 3.28Å; D112-L114 PolarHBondContact O-N 2.96Å; L114-L116 HydrophobicContact CD1-CD1 3.91Å; L114-L116 HydrophobicContact CD2-CD1 4.34Å; L114-L116 HydrophobicContact CG-CD1 3.87Å; L114-F129 HydrophobicContact CB-CB 4.22Å; L114-F129 HydrophobicContact CB-CD2 4.11Å; L114-F129 HydrophobicContact CB-CG 4.44Å; L114-F129 HydrophobicContact CD2-CD2 3.57Å; L114-F129 HydrophobicContact CD2-CE2 3.85Å; L114-F129 HydrophobicContact CD2-CG 4.08Å; L114-F129 HydrophobicContact CG-CD2 3.61Å; L114-F129 HydrophobicContact CG-CE2 4.15Å; L114-F129 HydrophobicContact CG-CG 4.32Å; L114-F129 WeakPolarHBondContact O-CB 3.2Å; L114-F129 PolarHBondContact O-N 2.82Å; L114-Y131 WeakPolarHBondContact CB-OH 3.02Å; L114-Y131 PolarHBondContact N-OH 2.8Å
115E96.1Very high92.8Very high12 Ų1239.7 Ų39.76%0.05622%0.215CC..EExtended strand (participates in β ladder)trans-143.8141.6174.7174.1-161.514000108.2L105 L127 F128L105-E115 HydrophobicContact CB-CB 4.13Å; L105-E115 WeakPolarHBondContact CD1-OE1 3.43Å; L105-E115 PolarHBondContact N-O 2.84Å; L105-E115 PolarHBondContact O-N 2.7Å; E115-L127 WeakPolarHBondContact CA-O 3.42Å; E115-F128 HydrophobicContact CB-CD1 4.28Å; E115-F128 VanDerWaalsContact CD-CE1 3.47Å; E115-F128 HydrophobicContact CG-CD1 3.86Å; E115-F128 HydrophobicContact CG-CE1 3.79Å; E115-F128 HydrophobicContact CG-CZ 4.39Å; E115-F128 WeakPolarHBondContact OE2-CE1 3.41Å
116L96.3Very high92.9Very high1 Ų140 Ų401%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-129.3149.3173.9-59.975.7000108.5L89 I90 L93 L101 W103 V104 L114 D126 L127 F129L89-L116 HydrophobicContact CD2-CD2 4.2Å; I90-L116 HydrophobicContact CG1-CD2 4.24Å; L93-L116 HydrophobicContact CD1-CD2 4.29Å; L101-L116 HydrophobicContact CD1-CD2 4.44Å; W103-L116 WeakPolarHBondContact O-CA 3.32Å; V104-L116 HydrophobicContact CB-CG 4.43Å; V104-L116 HydrophobicContact CG1-CG 4.18Å; V104-L116 HydrophobicContact CG2-CD2 3.91Å; V104-L116 HydrophobicContact CG2-CG 3.96Å; L114-L116 HydrophobicContact CD1-CD1 3.91Å; L114-L116 HydrophobicContact CD2-CD1 4.34Å; L114-L116 HydrophobicContact CG-CD1 3.87Å; L116-D126 CarbonylContact O-C 3.5Å; L116-L127 PolarHBondContact N-O 2.98Å; L116-L127 PolarHBondContact O-N 2.84Å; L116-F129 HydrophobicContact CD1-CD2 3.97Å; L116-F129 HydrophobicContact CD1-CE2 3.48Å; L116-F129 VanDerWaalsContact CD1-CE2 3.48Å
117S97.3Very high93.1Very high1 Ų140 Ų401%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-125.5139.7171.2-56.10000110.3Y102 W103 I125 D126Y102-S117 WeakPolarHBondContact CB-O 3.17Å; Y102-S117 PolarHBondContact N-O 2.87Å; W103-S117 VanDerWaalsContact NE1-CB 3.28Å; W103-S117 PolarHBondContact NE1-OG 3.36Å; W103-S117 PolarHBondContact O-N 3.03Å; S117-I125 VanDerWaalsContact CA-O 3.32Å; S117-I125 WeakPolarHBondContact CA-O 3.44Å; S117-D126 WeakPolarHBondContact CB-OD1 3.28Å; S117-D126 VanDerWaalsContact OG-CG 3.31Å; S117-D126 PolarHBondContact OG-OD1 3.07Å
118V97.6Very high93.5Very high1 Ų138.3 Ų38.31%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-113.2142.2170.3-61.10000109.1F42 L93 L99 V100 K124 I125F42-V118 HydrophobicContact CD1-CG2 3.88Å; F42-V118 HydrophobicContact CE1-CG2 3.85Å; F42-V118 HydrophobicContact CE2-CG1 4.35Å; F42-V118 HydrophobicContact CG-CG2 4.28Å; F42-V118 HydrophobicContact CZ-CG1 4.15Å; F42-V118 HydrophobicContact CZ-CG2 4.25Å; L93-V118 HydrophobicContact CD1-CG1 4.12Å; L93-V118 HydrophobicContact CD2-CG1 3.8Å; L99-V118 HydrophobicContact CB-CB 4.4Å; L99-V118 HydrophobicContact CD2-CG2 4.19Å; V100-V118 CarbonylContact O-C 3.55Å; V100-V118 WeakPolarHBondContact O-CA 3.39Å; V118-K124 WeakPolarHBondContact O-CA 3.13Å; V118-I125 HydrophobicContact CG2-CB 3.86Å; V118-I125 HydrophobicContact CG2-CD1 4.35Å; V118-I125 PolarHBondContact N-O 2.77Å; V118-I125 PolarHBondContact O-N 2.9Å
119L96.8Very high94.3Very high51 Ų5136.7 Ų36.727%0.26720%0.199SC..EExtended strand (participates in β ladder)trans-99140.7167.4-65-179.2000109.5V100 Y102 K124 L225V100-L119 HydrophobicContact CB-CB 4.43Å; V100-L119 PolarHBondContact N-O 2.83Å; V100-L119 PolarHBondContact O-N 3.09Å; Y102-L119 HydrophobicContact CG-CG 4.42Å; L119-K124 HydrophobicContact CD2-CB 3.66Å; L119-K124 HydrophobicContact CD2-CD 4.33Å; L119-K124 HydrophobicContact CD2-CG 3.87Å; L119-L225 HydrophobicContact CD1-CD1 3.54Å; L119-L225 HydrophobicContact CD1-CD2 4.18Å; L119-L225 HydrophobicContact CD1-CG 4.28Å
120T94.9Very high95Very high22 Ų2229.7 Ų29.714%0.13516%0.163CC..  trans-119.4-178.7172.285.30000108.5D38 L99 S122 G123 I125D38-T120 HydrophobicContact CB-CG2 3.87Å; D38-T120 WeakPolarHBondContact OD2-CB 3.47Å; D38-T120 PolarHBondContact OD2-OG1 2.89Å; L99-T120 HydrophobicContact CD2-CG2 3.53Å; T120-S122 PolarHBondContact O-N 2.86Å; T120-S122 PolarHBondContact OG1-N 2.87Å; T120-G123 PolarHBondContact N-O 2.97Å; T120-G123 PolarHBondContact OG1-N 3.11Å; T120-G123 VanDerWaalsContact OG1-N 3.17Å; T120-G123 PolarHBondContact OG1-O 3.44Å; T120-I125 HydrophobicContact CG2-CD1 3.85Å; T120-I125 HydrophobicContact CG2-CG1 4.48Å
121K92.6Very high95.7Very high213 Ų21325.4 Ų25.493%0.92613%0.133SC*.SBendtrans-67.1-24.8171.9-69-177.4178.6178.70112.2
122S93.2Very high96.1Very high40 Ų4026.5 Ų26.528%0.2814%0.135SC..SBendtrans-102.7-20.4-169.6-43.30000113.1L31 D38 T120L31-S122 WeakPolarHBondContact CD2-O 3.2Å; D38-S122 VanDerWaalsContact OD2-CB 3.24Å; D38-S122 WeakPolarHBondContact OD2-CB 3.47Å; D38-S122 PolarHBondContact OD2-OG 2.88Å; T120-S122 PolarHBondContact O-N 2.86Å; T120-S122 PolarHBondContact OG1-N 2.87Å
123G94.3Very high96.1Very high16 Ų1630.2 Ų30.217%0.16515%0.154CC..  trans173.1-172.8179.300000114.7T120T120-G123 PolarHBondContact N-O 2.97Å; T120-G123 PolarHBondContact OG1-N 3.11Å; T120-G123 VanDerWaalsContact OG1-N 3.17Å; T120-G123 PolarHBondContact OG1-O 3.44Å
124K96.9Very high96Very high39 Ų3932.7 Ų32.717%0.1718%0.18CC..EExtended strand (participates in β ladder)trans-98138.6170.9-177.9176.765.269.10109.6D75 L76 Y102 V118 L119 D126D75-K124 WeakPolarHBondContact CA-O 3.18Å; D75-K124 HydrophobicContact CB-CB 4.14Å; D75-K124 WeakPolarHBondContact CB-O 3.39Å; D75-K124 WeakPolarHBondContact OD2-CE 3.5Å; D75-K124 IonicContact OD2-NZ 2.82Å; D75-K124 PolarHBondContact OD2-NZ 3.36Å; L76-K124 PolarHBondContact N-O 2.97Å; Y102-K124 HydrophobicContact CD1-CD 4.35Å; V118-K124 WeakPolarHBondContact O-CA 3.13Å; L119-K124 HydrophobicContact CD2-CB 3.66Å; L119-K124 HydrophobicContact CD2-CD 4.33Å; L119-K124 HydrophobicContact CD2-CG 3.87Å; K124-D126 IonicContact NZ-OD1 3.46Å; K124-D126 PolarHBondContact NZ-OD1 2.9Å; K124-D126 IonicContact NZ-OD2 2.8Å; K124-D126 PolarHBondContact NZ-OD2 3.39Å
125I98.3Very high95.9Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-121.6124.8171.7-52.5162.1000108.7D38 L39 F42 L76 M78 S117 V118 T120D38-I125 HydrophobicContact CB-CD1 4.5Å; L39-I125 HydrophobicContact CB-CD1 4.42Å; L39-I125 HydrophobicContact CD1-CD1 4.16Å; L39-I125 HydrophobicContact CD1-CG1 4.32Å; L39-I125 HydrophobicContact CD1-CG2 3.67Å; F42-I125 HydrophobicContact CB-CD1 4.41Å; F42-I125 HydrophobicContact CD1-CB 4.28Å; F42-I125 HydrophobicContact CD1-CD1 4.4Å; F42-I125 HydrophobicContact CD1-CG2 3.77Å; F42-I125 HydrophobicContact CE1-CG2 4.07Å; L76-I125 HydrophobicContact CB-CG1 4.28Å; L76-I125 HydrophobicContact CB-CG2 4.41Å; L76-I125 HydrophobicContact CD1-CG1 4.43Å; L76-I125 CarbonylContact O-C 3.45Å; L76-I125 WeakPolarHBondContact O-CA 3.14Å; M78-I125 HydrophobicContact CG-CG2 4.23Å; S117-I125 VanDerWaalsContact CA-O 3.32Å; S117-I125 WeakPolarHBondContact CA-O 3.44Å; V118-I125 HydrophobicContact CG2-CB 3.86Å; V118-I125 HydrophobicContact CG2-CD1 4.35Å; V118-I125 PolarHBondContact N-O 2.77Å; V118-I125 PolarHBondContact O-N 2.9Å; T120-I125 HydrophobicContact CG2-CD1 3.85Å; T120-I125 HydrophobicContact CG2-CG1 4.48Å
126D98.2Very high95.9Very high10 Ų1041.7 Ų41.75%0.05323%0.232CC..EExtended strand (participates in β ladder)trans-97.3137.4175.8-66.9-6.8000110.2L76 M78 L116 S117 K124 F128L76-D126 PolarHBondContact O-N 2.95Å; M78-D126 PolarHBondContact N-O 3.38Å; L116-D126 CarbonylContact O-C 3.5Å; S117-D126 WeakPolarHBondContact CB-OD1 3.28Å; S117-D126 VanDerWaalsContact OG-CG 3.31Å; S117-D126 PolarHBondContact OG-OD1 3.07Å; K124-D126 IonicContact NZ-OD1 3.46Å; K124-D126 PolarHBondContact NZ-OD1 2.9Å; K124-D126 IonicContact NZ-OD2 2.8Å; K124-D126 PolarHBondContact NZ-OD2 3.39Å; D126-F128 HydrophobicContact CB-CD2 4.35Å; D126-F128 HydrophobicContact CB-CE2 3.62Å; D126-F128 HydrophobicContact CB-CZ 3.99Å
127L98.4Very high95.9Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-117.1106173.9178.165000108.9F42 L46 M78 A80 L89 E115 L116 F129F42-L127 HydrophobicContact CE1-CB 4.09Å; F42-L127 HydrophobicContact CZ-CB 4.12Å; F42-L127 HydrophobicContact CZ-CD2 4Å; L46-L127 HydrophobicContact CD1-CD1 4.16Å; L46-L127 HydrophobicContact CD1-CD2 4.05Å; L46-L127 HydrophobicContact CD2-CD2 3.86Å; M78-L127 HydrophobicContact CB-CD1 4.04Å; M78-L127 WeakPolarHBondContact O-CA 3.08Å; A80-L127 HydrophobicContact CB-CD1 4.17Å; L89-L127 HydrophobicContact CD2-CD2 4.11Å; E115-L127 WeakPolarHBondContact CA-O 3.42Å; L116-L127 PolarHBondContact N-O 2.98Å; L116-L127 PolarHBondContact O-N 2.84Å; L127-F129 HydrophobicContact CD2-CE2 3.93Å; L127-F129 HydrophobicContact CD2-CZ 3.95Å; L127-F129 HydrophobicContact CG-CE2 4.15Å; L127-F129 HydrophobicContact CG-CZ 4.45Å
128F98.1Very high96Very high29 Ų2943 Ų4313%0.12724%0.237CC..EExtended strand (participates in β ladder)trans-87.8136174.9-62.1-86.1000111F56 D77 M78 A79 A80 E115 D126 V139F56-F128 HydrophobicContact CD1-CD2 4.27Å; D77-F128 HydrophobicContact CB-CE2 4.15Å; D77-F128 WeakPolarHBondContact OD1-CE2 3.32Å; M78-F128 PolarHBondContact O-N 2.94Å; A79-F128 CarbonylContact C-O 3.59Å; A79-F128 WeakPolarHBondContact CA-O 3.21Å; A79-F128 HydrophobicContact CB-CB 4.42Å; A80-F128 PolarHBondContact N-O 3.01Å; E115-F128 HydrophobicContact CB-CD1 4.28Å; E115-F128 VanDerWaalsContact CD-CE1 3.47Å; E115-F128 HydrophobicContact CG-CD1 3.86Å; E115-F128 HydrophobicContact CG-CE1 3.79Å; E115-F128 HydrophobicContact CG-CZ 4.39Å; E115-F128 WeakPolarHBondContact OE2-CE1 3.41Å; D126-F128 HydrophobicContact CB-CD2 4.35Å; D126-F128 HydrophobicContact CB-CE2 3.62Å; D126-F128 HydrophobicContact CB-CZ 3.99Å; F128-V139 HydrophobicContact CB-CB 4.37Å; F128-V139 HydrophobicContact CB-CG1 4.1Å; F128-V139 HydrophobicContact CD1-CG2 4.49Å
129F97.7Very high95.9Very high0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans-93123.5168.8-76.6-84.9000111.4A80 I82 Y85 L89 L114 L116 L127 Y131A80-F129 HydrophobicContact CB-CD1 4.37Å; A80-F129 HydrophobicContact CB-CE1 4.11Å; A80-F129 CarbonylContact O-C 3.53Å; A80-F129 WeakPolarHBondContact O-CA 3.47Å; I82-F129 HydrophobicContact CB-CB 4.17Å; I82-F129 HydrophobicContact CB-CD1 4.46Å; I82-F129 HydrophobicContact CD1-CB 3.71Å; I82-F129 HydrophobicContact CD1-CD1 3.92Å; I82-F129 HydrophobicContact CD1-CG 3.84Å; I82-F129 HydrophobicContact CG1-CB 4.49Å; Y85-F129 AromaticContact CD2-CE1 3.93Å; Y85-F129 HydrophobicContact CD2-CE1 3.93Å; Y85-F129 HydrophobicContact CD2-CE2 4.03Å; Y85-F129 AromaticContact CD2-CZ 3.58Å; Y85-F129 HydrophobicContact CD2-CZ 3.58Å; Y85-F129 HydrophobicContact CE2-CZ 4.42Å; Y85-F129 HydrophobicContact CG-CE1 4.4Å; Y85-F129 HydrophobicContact CG-CZ 4.47Å; L89-F129 HydrophobicContact CD2-CE2 4.42Å; L89-F129 HydrophobicContact CD2-CZ 4Å; L114-F129 HydrophobicContact CB-CB 4.22Å; L114-F129 HydrophobicContact CB-CD2 4.11Å; L114-F129 HydrophobicContact CB-CG 4.44Å; L114-F129 HydrophobicContact CD2-CD2 3.57Å; L114-F129 HydrophobicContact CD2-CE2 3.85Å; L114-F129 HydrophobicContact CD2-CG 4.08Å; L114-F129 HydrophobicContact CG-CD2 3.61Å; L114-F129 HydrophobicContact CG-CE2 4.15Å; L114-F129 HydrophobicContact CG-CG 4.32Å; L114-F129 WeakPolarHBondContact O-CB 3.2Å; L114-F129 PolarHBondContact O-N 2.82Å; L116-F129 HydrophobicContact CD1-CD2 3.97Å; L116-F129 HydrophobicContact CD1-CE2 3.48Å; L116-F129 VanDerWaalsContact CD1-CE2 3.48Å; L127-F129 HydrophobicContact CD2-CE2 3.93Å; L127-F129 HydrophobicContact CD2-CZ 3.95Å; L127-F129 HydrophobicContact CG-CE2 4.15Å; L127-F129 HydrophobicContact CG-CZ 4.45Å; F129-Y131 HydrophobicContact CB-CE2 4.3Å; F129-Y131 WeakPolarHBondContact O-CD2 3.25Å; F129-Y131 WeakPolarHBondContact O-CE2 3.02Å
130V97.8Very high95.9Very high1 Ų140.8 Ų40.81%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-90.1122.9179.3177.60000110.4Y54 A79 A80 I82 V139Y54-V130 WeakPolarHBondContact OH-CB 3.26Å; Y54-V130 WeakPolarHBondContact OH-CG2 3.4Å; A79-V130 HydrophobicContact CB-CG2 3.93Å; A80-V130 PolarHBondContact O-N 2.81Å; I82-V130 PolarHBondContact N-O 2.75Å; V130-V139 HydrophobicContact CB-CG1 4.36Å; V130-V139 HydrophobicContact CG2-CG1 3.49Å; V130-V139 VanDerWaalsContact CG2-CG1 3.49Å
131Y97.2Very high95.8Very high16 Ų1639.8 Ų39.86%0.06322%0.22CC..EExtended strand (participates in β ladder)trans-98.1128.1177.3-63.2-101.2000109.5I82 S111 D112 S113 L114 F129 S137 W138I82-Y131 HydrophobicContact CB-CD1 4.13Å; I82-Y131 HydrophobicContact CB-CE1 4.02Å; I82-Y131 HydrophobicContact CB-CG 4.43Å; I82-Y131 HydrophobicContact CD1-CE1 4.24Å; I82-Y131 HydrophobicContact CG1-CD1 4.18Å; I82-Y131 HydrophobicContact CG1-CE1 3.61Å; I82-Y131 HydrophobicContact CG2-CD1 3.67Å; I82-Y131 HydrophobicContact CG2-CE1 4.01Å; I82-Y131 HydrophobicContact CG2-CG 4.04Å; S111-Y131 WeakPolarHBondContact O-CE1 3.41Å; D112-Y131 WeakPolarHBondContact CA-OH 3.3Å; D112-Y131 PolarHBondContact N-OH 2.83Å; S113-Y131 PolarHBondContact N-OH 2.83Å; S113-Y131 VanDerWaalsContact N-OH 3.11Å; L114-Y131 WeakPolarHBondContact CB-OH 3.02Å; L114-Y131 PolarHBondContact N-OH 2.8Å; F129-Y131 HydrophobicContact CB-CE2 4.3Å; F129-Y131 WeakPolarHBondContact O-CD2 3.25Å; F129-Y131 WeakPolarHBondContact O-CE2 3.02Å; Y131-S137 CarbonylContact O-C 3.55Å; Y131-S137 VanDerWaalsContact O-CA 3.3Å; Y131-S137 WeakPolarHBondContact O-CA 3.48Å; Y131-W138 VanDerWaalsContact CB-CZ2 3.46Å; Y131-W138 AromaticContact CD1-CH2 3.82Å; Y131-W138 HydrophobicContact CD1-CH2 3.82Å; Y131-W138 AromaticContact CD1-CZ2 3.64Å; Y131-W138 HydrophobicContact CD1-CZ2 3.64Å; Y131-W138 HydrophobicContact CD2-CD2 4.17Å; Y131-W138 AromaticContact CD2-CE3 3.89Å; Y131-W138 HydrophobicContact CD2-CE3 3.89Å; Y131-W138 AromaticContact CD2-CH2 3.56Å; Y131-W138 HydrophobicContact CD2-CH2 3.56Å; Y131-W138 AromaticContact CD2-CZ2 3.87Å; Y131-W138 HydrophobicContact CD2-CZ2 3.87Å; Y131-W138 AromaticContact CD2-CZ3 3.58Å; Y131-W138 HydrophobicContact CD2-CZ3 3.58Å; Y131-W138 HydrophobicContact CE1-CH2 4.12Å; Y131-W138 HydrophobicContact CE1-CZ2 4.36Å; Y131-W138 AromaticContact CE2-CH2 3.91Å; Y131-W138 HydrophobicContact CE2-CH2 3.91Å; Y131-W138 AromaticContact CE2-CZ3 3.94Å; Y131-W138 HydrophobicContact CE2-CZ3 3.94Å; Y131-W138 HydrophobicContact CG-CD2 4.12Å; Y131-W138 AromaticContact CG-CE2 3.67Å; Y131-W138 HydrophobicContact CG-CE3 4.26Å; Y131-W138 AromaticContact CG-CH2 3.54Å; Y131-W138 HydrophobicContact CG-CH2 3.54Å; Y131-W138 AromaticContact CG-CZ2 3.37Å; Y131-W138 HydrophobicContact CG-CZ2 3.37Å; Y131-W138 AromaticContact CG-CZ3 4Å; Y131-W138 HydrophobicContact CG-CZ3 4Å; Y131-W138 PolarHBondContact N-O 2.82Å; Y131-W138 PolarHBondContact O-N 3.45Å
132N94.6Very high95.8Very high73 Ų7330 Ų3039%0.3918%0.178SC..EExtended strand (participates in β ladder)trans-96.9123.2-177.8-85-40.4000110.1S137 K156N132-S137 PolarHBondContact OD1-OG 3.47Å; N132-K156 VanDerWaalsContact CB-NZ 3.31Å; N132-K156 WeakPolarHBondContact OD1-CE 3.43Å; N132-K156 PolarHBondContact OD1-NZ 3.17Å
133N91.1Very high95.8Very high106 Ų10629 Ų2957%0.56717%0.17SC*.EExtended strand (participates in β ladder)trans-130.996.5177.5-173.814.1000110.5N135 S136N133-N135 PolarHBondContact O-N 2.87Å; N133-S136 CarbonylContact C-O 3.52Å; N133-S136 PolarHBondContact N-O 3.1Å; N133-S136 PolarHBondContact O-N 3.44Å; N133-S136 PolarHBondContact O-OG 3.45Å
134G91.5Very high95.7Very high54 Ų5429.9 Ų29.956%0.55717%0.172SC*.THydrogen-bonded Turntrans55-121.1-175.400000111.9S136 K156G134-S136 PolarHBondContact O-N 3.43Å; G134-K156 WeakPolarHBondContact O-CD 3.29Å; G134-K156 WeakPolarHBondContact O-CE 3.08Å; G134-K156 PolarHBondContact O-NZ 3.21Å
135N94Very high95.5Very high156 Ų15634 Ų3483%0.83420%0.203SC*.THydrogen-bonded Turntrans-84.811179.8-65.4-14.2000114N133N133-N135 PolarHBondContact O-N 2.87Å
136S96.8Very high95.2Very high46 Ų4636.2 Ų36.232%0.32222%0.218SC..EExtended strand (participates in β ladder)trans-129.4160.7178.9670000111.5N133 G134N133-S136 CarbonylContact C-O 3.52Å; N133-S136 PolarHBondContact N-O 3.1Å; N133-S136 PolarHBondContact O-N 3.44Å; N133-S136 PolarHBondContact O-OG 3.45Å; G134-S136 PolarHBondContact O-N 3.43Å
137S97.5Very high95.1Very high0 Ų040.3 Ų40.30%023%0.233CC..EExtended strand (participates in β ladder)trans-125.2154.3170.7-65.20000108.5Y131 N132 Y154 I157Y131-S137 CarbonylContact O-C 3.55Å; Y131-S137 VanDerWaalsContact O-CA 3.3Å; Y131-S137 WeakPolarHBondContact O-CA 3.48Å; N132-S137 PolarHBondContact OD1-OG 3.47Å; S137-Y154 PolarHBondContact N-O 3.02Å; S137-Y154 PolarHBondContact O-N 2.91Å; S137-Y154 VanDerWaalsContact O-O 3.11Å; S137-I157 PolarHBondContact OG-N 2.81Å
138W97.6Very high94.9Very high30 Ų3044 Ų4411%0.11425%0.247CC..EExtended strand (participates in β ladder)trans-147.9154173.664-89.4000111.3Y131 R151 C152Y131-W138 VanDerWaalsContact CB-CZ2 3.46Å; Y131-W138 AromaticContact CD1-CH2 3.82Å; Y131-W138 HydrophobicContact CD1-CH2 3.82Å; Y131-W138 AromaticContact CD1-CZ2 3.64Å; Y131-W138 HydrophobicContact CD1-CZ2 3.64Å; Y131-W138 HydrophobicContact CD2-CD2 4.17Å; Y131-W138 AromaticContact CD2-CE3 3.89Å; Y131-W138 HydrophobicContact CD2-CE3 3.89Å; Y131-W138 AromaticContact CD2-CH2 3.56Å; Y131-W138 HydrophobicContact CD2-CH2 3.56Å; Y131-W138 AromaticContact CD2-CZ2 3.87Å; Y131-W138 HydrophobicContact CD2-CZ2 3.87Å; Y131-W138 AromaticContact CD2-CZ3 3.58Å; Y131-W138 HydrophobicContact CD2-CZ3 3.58Å; Y131-W138 HydrophobicContact CE1-CH2 4.12Å; Y131-W138 HydrophobicContact CE1-CZ2 4.36Å; Y131-W138 AromaticContact CE2-CH2 3.91Å; Y131-W138 HydrophobicContact CE2-CH2 3.91Å; Y131-W138 AromaticContact CE2-CZ3 3.94Å; Y131-W138 HydrophobicContact CE2-CZ3 3.94Å; Y131-W138 HydrophobicContact CG-CD2 4.12Å; Y131-W138 AromaticContact CG-CE2 3.67Å; Y131-W138 HydrophobicContact CG-CE3 4.26Å; Y131-W138 AromaticContact CG-CH2 3.54Å; Y131-W138 HydrophobicContact CG-CH2 3.54Å; Y131-W138 AromaticContact CG-CZ2 3.37Å; Y131-W138 HydrophobicContact CG-CZ2 3.37Å; Y131-W138 AromaticContact CG-CZ3 4Å; Y131-W138 HydrophobicContact CG-CZ3 4Å; Y131-W138 PolarHBondContact N-O 2.82Å; Y131-W138 PolarHBondContact O-N 3.45Å; W138-R151 HydrophobicContact CB-CG 4.04Å; W138-R151 HydrophobicContact CD2-CG 4.2Å; W138-R151 HydrophobicContact CE3-CG 3.89Å; W138-R151 HydrophobicContact CG-CG 4.29Å; W138-C152 CarbonylContact C-O 3.56Å; W138-C152 WeakPolarHBondContact CA-O 3.16Å; W138-C152 WeakPolarHBondContact CB-O 3.39Å
139V97.3Very high94.7Very high4 Ų443 Ų432%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-118.1153.2167.9-56.60000109.8F56 F128 V130 R151 C152 Y154F56-V139 HydrophobicContact CE1-CG1 3.93Å; F56-V139 HydrophobicContact CE1-CG2 4.43Å; F56-V139 HydrophobicContact CZ-CG1 4.18Å; F128-V139 HydrophobicContact CB-CB 4.37Å; F128-V139 HydrophobicContact CB-CG1 4.1Å; F128-V139 HydrophobicContact CD1-CG2 4.49Å; V130-V139 HydrophobicContact CB-CG1 4.36Å; V130-V139 HydrophobicContact CG2-CG1 3.49Å; V130-V139 VanDerWaalsContact CG2-CG1 3.49Å; V139-R151 WeakPolarHBondContact O-CA 3.46Å; V139-C152 HydrophobicContact CG2-CB 3.88Å; V139-C152 PolarHBondContact N-O 2.87Å; V139-C152 PolarHBondContact O-N 2.95Å; V139-Y154 HydrophobicContact CG1-CE2 4.28Å; V139-Y154 HydrophobicContact CG2-CE2 3.88Å
140G95.6Very high94.7Very high1 Ų143 Ų431%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-79158.8166.600000111.5
141G93.6Very high94.6Very high2 Ų246.5 Ų46.52%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-148.3173.516000000109.2L150G141-L150 PolarHBondContact N-O 3.21Å; G141-L150 PolarHBondContact O-N 3.49Å
142M93.1Very high94.6Very high7 Ų746 Ų463%0.03425%0.254CS..EExtended strand (participates in β ladder)trans-146.9157.5172.659.2175.463.300112.4L105 G106 P144 R148 Y212 W217 F221L105-M142 HydrophobicContact CB-CE 3.58Å; L105-M142 HydrophobicContact CB-CG 4.43Å; L105-M142 HydrophobicContact CB-SD 3.81Å; L105-M142 HydrophobicContact CD1-CE 4.5Å; L105-M142 HydrophobicContact CD1-CG 3.69Å; L105-M142 HydrophobicContact CD1-SD 3.71Å; L105-M142 HydrophobicContact CD2-CE 4.41Å; L105-M142 HydrophobicContact CD2-SD 3.67Å; L105-M142 HydrophobicContact CG-CE 4.37Å; L105-M142 HydrophobicContact CG-SD 3.93Å; G106-M142 VanDerWaalsContact N-CE 3.34Å; M142-P144 HydrophobicContact CG-CG 4.24Å; M142-P144 WeakPolarHBondContact O-CD 3.38Å; M142-P144 HydrophobicContact SD-CG 4.44Å; M142-R148 CarbonylContact C-O 3.49Å; M142-R148 VanDerWaalsContact CA-O 3.25Å; M142-R148 WeakPolarHBondContact CA-O 2.91Å; M142-Y212 HydrophobicContact CB-CE2 4.49Å; M142-Y212 HydrophobicContact CE-CE2 4.08Å; M142-W217 HydrophobicContact SD-CH2 3.98Å; M142-W217 HydrophobicContact SD-CZ3 4.04Å; M142-F221 HydrophobicContact SD-CD2 3.96Å
143I93.1Very high94.7Very high20 Ų2044.6 Ų44.610%0.10325%0.25CS..EExtended strand (participates in β ladder)trans-110.891.7169.6-52.8174.1000106.9P145 S146 R147 R148 L150 Y200I143-P145 VanDerWaalsContact C-CD 3.49Å; I143-S146 WeakPolarHBondContact CG2-OG 3.44Å; I143-S146 PolarHBondContact O-N 2.99Å; I143-S146 PolarHBondContact O-OG 3.49Å; I143-R147 PolarHBondContact O-N 3.22Å; I143-R148 HydrophobicContact CB-CB 4.17Å; I143-R148 HydrophobicContact CD1-CB 4.45Å; I143-R148 HydrophobicContact CD1-CG 4.4Å; I143-R148 PolarHBondContact N-O 3.48Å; I143-R148 PolarHBondContact O-N 2.83Å; I143-L150 HydrophobicContact CD1-CD1 4.04Å; I143-L150 HydrophobicContact CD1-CD2 4.12Å; I143-L150 HydrophobicContact CD1-CG 4.43Å; I143-L150 HydrophobicContact CG1-CD1 3.63Å; I143-L150 HydrophobicContact CG1-CD2 4.37Å; I143-L150 HydrophobicContact CG1-CG 4.14Å; I143-Y200 HydrophobicContact CD1-CD1 4.47Å; I143-Y200 HydrophobicContact CD1-CD2 3.6Å; I143-Y200 HydrophobicContact CD1-CE2 3.73Å; I143-Y200 HydrophobicContact CD1-CG 4Å; I143-Y200 HydrophobicContact CG1-CD1 4.35Å; I143-Y200 HydrophobicContact CG1-CD2 4.33Å; I143-Y200 HydrophobicContact CG1-CG 4.25Å
144P91.5Very high95Very high34 Ų3440.2 Ų40.222%0.22123%0.226CC..G310 helixtrans-54.5-42.2-171.7-25.333000115.4M142 S146 R147 W217 F221M142-P144 HydrophobicContact CG-CG 4.24Å; M142-P144 WeakPolarHBondContact O-CD 3.38Å; M142-P144 HydrophobicContact SD-CG 4.44Å; P144-S146 PolarHBondContact O-N 2.68Å; P144-S146 VanDerWaalsContact O-N 3.1Å; P144-R147 PolarHBondContact O-N 3.5Å; P144-R147 VanDerWaalsContact O-N 3.12Å; P144-W217 HydrophobicContact CB-CH2 3.9Å; P144-W217 HydrophobicContact CB-CZ2 4.12Å; P144-F221 HydrophobicContact CB-CD2 4.32Å; P144-F221 HydrophobicContact CB-CE2 3.72Å; P144-F221 HydrophobicContact CB-CZ 4.2Å; P144-F221 HydrophobicContact CG-CD2 4.49Å; P144-F221 HydrophobicContact CG-CE2 3.88Å
145P91.8Very high95.3Very high126 Ų12639.7 Ų39.782%0.81821%0.212SC*.G310 helixtrans-57.1-29.8178.1-27.935.9000114.3I143I143-P145 VanDerWaalsContact C-CD 3.49Å
146S93.4Very high95.4Very high45 Ų4535.1 Ų35.132%0.31519%0.185SC..G310 helixtrans-107.51.8-178.369.90000113.8I143 P144 R148 K211I143-S146 WeakPolarHBondContact CG2-OG 3.44Å; I143-S146 PolarHBondContact O-N 2.99Å; I143-S146 PolarHBondContact O-OG 3.49Å; P144-S146 PolarHBondContact O-N 2.68Å; P144-S146 VanDerWaalsContact O-N 3.1Å; S146-R148 PolarHBondContact O-N 2.97Å; S146-R148 VanDerWaalsContact O-N 3.12Å; S146-R148 WeakPolarHBondContact OG-CB 3.38Å; S146-K211 WeakPolarHBondContact O-CD 3.31Å
147R94.6Very high95.4Very high97 Ų9733.5 Ų33.537%0.36617%0.173SC..THydrogen-bonded Turntrans49.530.7-173.1-52.8-176.1-174.3163.82.6113.1I143 P144 K211 Y212 D214 W217I143-R147 PolarHBondContact O-N 3.22Å; P144-R147 PolarHBondContact O-N 3.5Å; P144-R147 VanDerWaalsContact O-N 3.12Å; R147-K211 CarbonylContact O-C 3.5Å; R147-K211 VanDerWaalsContact O-CA 3.3Å; R147-K211 WeakPolarHBondContact O-CA 2.98Å; R147-Y212 WeakPolarHBondContact O-CD2 3.48Å; R147-Y212 PolarHBondContact O-N 3.45Å; R147-D214 IonicContact CZ-OD1 3.57Å; R147-D214 IonicContact NH1-OD1 3.55Å; R147-D214 PolarHBondContact NH1-OD1 3.01Å; R147-W217 HydrophobicContact CB-CD2 4.08Å; R147-W217 HydrophobicContact CB-CE3 3.74Å; R147-W217 HydrophobicContact CB-CZ3 4.03Å; R147-W217 HydrophobicContact CG-CD2 3.64Å; R147-W217 HydrophobicContact CG-CE3 3.82Å; R147-W217 HydrophobicContact CG-CG 4.14Å; R147-W217 HydrophobicContact CG-CH2 4.38Å; R147-W217 HydrophobicContact CG-CZ2 4.16Å; R147-W217 HydrophobicContact CG-CZ3 4.2Å
148R94.8Very high95Very high76 Ų7638.3 Ų38.329%0.28721%0.207SC..EExtended strand (participates in β ladder)trans-87.7129.5-174.9179.668.964.8-178.46.6109.3M142 I143 S146 L150 L209 K211M142-R148 CarbonylContact C-O 3.49Å; M142-R148 VanDerWaalsContact CA-O 3.25Å; M142-R148 WeakPolarHBondContact CA-O 2.91Å; I143-R148 HydrophobicContact CB-CB 4.17Å; I143-R148 HydrophobicContact CD1-CB 4.45Å; I143-R148 HydrophobicContact CD1-CG 4.4Å; I143-R148 PolarHBondContact N-O 3.48Å; I143-R148 PolarHBondContact O-N 2.83Å; S146-R148 PolarHBondContact O-N 2.97Å; S146-R148 VanDerWaalsContact O-N 3.12Å; S146-R148 WeakPolarHBondContact OG-CB 3.38Å; R148-L150 HydrophobicContact CG-CD2 4.18Å; R148-L209 WeakPolarHBondContact CD-O 3.31Å; R148-L209 PolarHBondContact NH1-O 3.48Å; R148-K211 VanDerWaalsContact NH2-CE 3.31Å
149K95.2Very high94.9Very high8 Ų843.7 Ų43.74%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-79.9142169.2-175.9180-177.1-1790110.3D112 S113 L209 E210 Y212D112-K149 WeakPolarHBondContact OD1-CE 3.47Å; D112-K149 IonicContact OD1-NZ 3.88Å; D112-K149 PolarHBondContact OD1-NZ 3.19Å; D112-K149 IonicContact OD2-NZ 3.16Å; D112-K149 PolarHBondContact OD2-NZ 2.84Å; S113-K149 WeakPolarHBondContact OG-CE 3.42Å; K149-L209 HydrophobicContact CB-CB 4.05Å; K149-L209 HydrophobicContact CD-CB 4.33Å; K149-L209 HydrophobicContact CD-CD1 3.91Å; K149-L209 HydrophobicContact CG-CB 4.17Å; K149-L209 HydrophobicContact CG-CD1 4.03Å; K149-L209 WeakPolarHBondContact O-CB 3.33Å; K149-L209 PolarHBondContact O-N 3.48Å; K149-E210 WeakPolarHBondContact CB-O 3.35Å; K149-E210 PolarHBondContact N-O 3.07Å; K149-E210 VanDerWaalsContact N-O 3.09Å; K149-Y212 HydrophobicContact CB-CD2 4.4Å; K149-Y212 HydrophobicContact CB-CE1 4.4Å; K149-Y212 HydrophobicContact CB-CE2 3.72Å; K149-Y212 HydrophobicContact CD-CE1 4.17Å; K149-Y212 HydrophobicContact CG-CE2 4.23Å; K149-Y212 WeakPolarHBondContact CG-OH 3.49Å
150L96Very high94.9Very high0 Ų046 Ų460%024%0.239CC..EExtended strand (participates in β ladder)trans-123.4154.7173.4-56.6176.5000109.8G141 I143 R148 W199 Y200 V206 Q207 H208G141-L150 PolarHBondContact N-O 3.21Å; G141-L150 PolarHBondContact O-N 3.49Å; I143-L150 HydrophobicContact CD1-CD1 4.04Å; I143-L150 HydrophobicContact CD1-CD2 4.12Å; I143-L150 HydrophobicContact CD1-CG 4.43Å; I143-L150 HydrophobicContact CG1-CD1 3.63Å; I143-L150 HydrophobicContact CG1-CD2 4.37Å; I143-L150 HydrophobicContact CG1-CG 4.14Å; R148-L150 HydrophobicContact CG-CD2 4.18Å; L150-W199 HydrophobicContact CD1-CH2 3.33Å; L150-W199 HydrophobicContact CD1-CZ2 4.18Å; L150-W199 HydrophobicContact CD1-CZ3 3.72Å; L150-Y200 HydrophobicContact CD1-CG 4.37Å; L150-V206 HydrophobicContact CB-CG1 4.4Å; L150-V206 HydrophobicContact CD1-CG1 4.25Å; L150-V206 HydrophobicContact CD2-CG1 4.12Å; L150-V206 HydrophobicContact CG-CG1 4.49Å; L150-Q207 VanDerWaalsContact CA-O 3.31Å; L150-Q207 WeakPolarHBondContact CA-O 3.46Å; L150-H208 HydrophobicContact CD2-CB 4.29Å; L150-H208 WeakPolarHBondContact CD2-ND1 3.4Å
151R96Very high95Very high75 Ų7546 Ų4628%0.28324%0.239SC..EExtended strand (participates in β ladder)trans-135127.5168.8176.1179.7-72.3162.1-2.3109.1W138 V139 Q207 L209W138-R151 HydrophobicContact CB-CG 4.04Å; W138-R151 HydrophobicContact CD2-CG 4.2Å; W138-R151 HydrophobicContact CE3-CG 3.89Å; W138-R151 HydrophobicContact CG-CG 4.29Å; V139-R151 WeakPolarHBondContact O-CA 3.46Å; R151-Q207 PolarHBondContact N-O 2.92Å; R151-Q207 PolarHBondContact O-N 2.96Å; R151-L209 HydrophobicContact CB-CD1 3.79Å; R151-L209 HydrophobicContact CB-CG 4.37Å
152C97Very high95.2Very high5 Ų550.7 Ų50.73%0.03426%0.256CS..EExtended strand (participates in β ladder)trans-106.6122.8173.5-43.90000108.8W138 V139 Y154 N205W138-C152 CarbonylContact C-O 3.56Å; W138-C152 WeakPolarHBondContact CA-O 3.16Å; W138-C152 WeakPolarHBondContact CB-O 3.39Å; V139-C152 HydrophobicContact CG2-CB 3.88Å; V139-C152 PolarHBondContact N-O 2.87Å; V139-C152 PolarHBondContact O-N 2.95Å; C152-Y154 HydrophobicContact CB-CE2 3.8Å; C152-Y154 WeakPolarHBondContact O-CD2 3.47Å; C152-Y154 WeakPolarHBondContact O-CE2 2.99Å; C152-N205 WeakPolarHBondContact CA-O 3.35Å
153S97Very high95.4Very high44 Ų4450.3 Ų50.331%0.30825%0.254SS..EExtended strand (participates in β ladder)trans-96.3142.6-177.5-63.60000111.5N205S153-N205 PolarHBondContact N-O 3.02Å; S153-N205 WeakPolarHBondContact O-CB 3.41Å; S153-N205 PolarHBondContact O-ND2 3.23Å
154Y97.9Very high95.6Very high14 Ų1452.7 Ų52.76%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-133.6153.6-178.3-62.2-87.4000111F56 S137 V139 C152 V179 A182 D183 N205F56-Y154 HydrophobicContact CE1-CE1 4.48Å; F56-Y154 HydrophobicContact CE1-CE2 4.12Å; F56-Y154 AromaticContact CE1-CZ 3.84Å; F56-Y154 HydrophobicContact CZ-CD1 4.3Å; F56-Y154 HydrophobicContact CZ-CD2 4.18Å; F56-Y154 AromaticContact CZ-CE1 3.79Å; F56-Y154 HydrophobicContact CZ-CE1 3.79Å; F56-Y154 AromaticContact CZ-CE2 3.67Å; F56-Y154 HydrophobicContact CZ-CE2 3.67Å; F56-Y154 HydrophobicContact CZ-CG 4.48Å; F56-Y154 AromaticContact CZ-CZ 3.47Å; F56-Y154 VanDerWaalsContact CZ-CZ 3.47Å; S137-Y154 PolarHBondContact N-O 3.02Å; S137-Y154 PolarHBondContact O-N 2.91Å; S137-Y154 VanDerWaalsContact O-O 3.11Å; V139-Y154 HydrophobicContact CG1-CE2 4.28Å; V139-Y154 HydrophobicContact CG2-CE2 3.88Å; C152-Y154 HydrophobicContact CB-CE2 3.8Å; C152-Y154 WeakPolarHBondContact O-CD2 3.47Å; C152-Y154 WeakPolarHBondContact O-CE2 2.99Å; Y154-V179 HydrophobicContact CD1-CG1 3.91Å; Y154-V179 HydrophobicContact CE1-CG1 4.07Å; Y154-A182 HydrophobicContact CD1-CB 3.87Å; Y154-A182 HydrophobicContact CE1-CB 4.35Å; Y154-D183 WeakPolarHBondContact CE1-OD1 3.45Å; Y154-D183 VanDerWaalsContact CZ-OD1 3.26Å; Y154-D183 PolarHBondContact OH-OD1 3.14Å; Y154-N205 VanDerWaalsContact CE1-ND2 3.29Å; Y154-N205 WeakPolarHBondContact CE1-ND2 3.22Å; Y154-N205 VanDerWaalsContact CZ-ND2 3.27Å; Y154-N205 PolarHBondContact OH-ND2 2.83Å
155P97Very high96Very high43 Ų4351.1 Ų51.128%0.27926%0.255SS..EExtended strand (participates in β ladder)trans-50.7155.8156.1-25.737.7000110.6I157 E178P155-I157 PolarHBondContact O-N 2.84Å; P155-I157 VanDerWaalsContact O-N 3.14Å; P155-E178 HydrophobicContact CB-CB 4.19Å; P155-E178 HydrophobicContact CG-CB 3.98Å
156K97.2Very high96.2Very high61 Ų6148.1 Ų48.127%0.26523%0.231SC..  trans-58.6121.5-176.5-17562.6169.3-157.30111.5N132 G134 S158 N175N132-K156 VanDerWaalsContact CB-NZ 3.31Å; N132-K156 WeakPolarHBondContact OD1-CE 3.43Å; N132-K156 PolarHBondContact OD1-NZ 3.17Å; G134-K156 WeakPolarHBondContact O-CD 3.29Å; G134-K156 WeakPolarHBondContact O-CE 3.08Å; G134-K156 PolarHBondContact O-NZ 3.21Å; K156-S158 PolarHBondContact O-N 2.89Å; K156-N175 PolarHBondContact O-ND2 3.4Å
157I96.2Very high96.4Very high11 Ų1149.1 Ų49.16%0.05625%0.248CC..  trans-94.890169.9-56.6170.1000107.7Y54 F56 S137 P155 L160 P173 V179Y54-I157 HydrophobicContact CE2-CD1 4.49Å; Y54-I157 HydrophobicContact CE2-CG2 4.32Å; F56-I157 HydrophobicContact CE2-CD1 3.81Å; F56-I157 HydrophobicContact CZ-CD1 4.45Å; S137-I157 PolarHBondContact OG-N 2.81Å; P155-I157 PolarHBondContact O-N 2.84Å; P155-I157 VanDerWaalsContact O-N 3.14Å; I157-L160 HydrophobicContact CG2-CD2 4.29Å; I157-P173 HydrophobicContact CD1-CG 4.5Å; I157-P173 HydrophobicContact CG2-CB 4.04Å; I157-P173 HydrophobicContact CG2-CG 4.27Å; I157-V179 HydrophobicContact CD1-CG2 4.05Å; I157-V179 HydrophobicContact CG1-CG2 3.93Å
158S88.6Confident96.6Very high102 Ų10247.3 Ų47.371%0.71324%0.244SC*.  trans-106.6-21.9-17655.70000114.2K156K156-S158 PolarHBondContact O-N 2.89Å
159R95.1Very high96.7Very high142 Ų14248.4 Ų48.454%0.53626%0.255SS..  trans-131.4138.7-177.4-162.1175.672.9-1581.9110.1E5 C174E5-R159 IonicContact OE2-CZ 3.48Å; E5-R159 IonicContact OE2-NE 3.66Å; E5-R159 IonicContact OE2-NH2 2.82Å; E5-R159 PolarHBondContact OE2-NH2 2.83Å; R159-C174 HydrophobicContact CB-CB 4.3Å; R159-C174 PolarHBondContact NE-SG 3.37Å; R159-C174 PolarHBondContact O-N 2.86Å
160L97.5Very high96.8Very high54 Ų5448.1 Ų48.128%0.28325%0.254SS..EExtended strand (participates in β ladder)trans-107.5137.9173.3-58.2-178.6000109.7T52 Y54 I157 V172T52-L160 HydrophobicContact CG2-CD1 3.92Å; Y54-L160 HydrophobicContact CD1-CD1 3.68Å; Y54-L160 HydrophobicContact CD1-CD2 3.57Å; Y54-L160 HydrophobicContact CD1-CG 4.29Å; Y54-L160 HydrophobicContact CD2-CD2 4.25Å; Y54-L160 HydrophobicContact CE1-CD1 4.31Å; Y54-L160 HydrophobicContact CE1-CD2 3.96Å; Y54-L160 HydrophobicContact CG-CD1 4.37Å; Y54-L160 HydrophobicContact CG-CD2 3.72Å; I157-L160 HydrophobicContact CG2-CD2 4.29Å; L160-V172 CarbonylContact C-O 3.56Å; L160-V172 VanDerWaalsContact CA-O 3.27Å; L160-V172 WeakPolarHBondContact CA-O 3.23Å
161C97.9Very high97Very high1 Ų148.5 Ų48.51%0.00726%0.256CS..EExtended strand (participates in β ladder)trans-111161.3176.2-77.30000108.6E5 I7 S171 V172 C174E5-C161 CarbonylContact O-C 3.52Å; E5-C161 VanDerWaalsContact O-CA 3.3Å; E5-C161 WeakPolarHBondContact O-CA 3.41Å; E5-C161 VanDerWaalsContact O-CB 3.28Å; E5-C161 WeakPolarHBondContact O-CB 3.36Å; E5-C161 PolarHBondContact OE2-SG 2.04Å; I7-C161 HydrophobicContact CD1-CB 3.54Å; I7-C161 HydrophobicContact CG1-CB 3.81Å; C161-S171 CarbonylContact O-C 3.59Å; C161-S171 VanDerWaalsContact O-CA 3.25Å; C161-S171 WeakPolarHBondContact O-CA 3.3Å; C161-V172 HydrophobicContact CB-CG2 4.09Å; C161-V172 PolarHBondContact N-O 3.32Å; C161-V172 PolarHBondContact O-N 3.13Å; C161-C174 VanDerWaalsContact CA-SG 3.59Å; C161-C174 HydrophobicContact CB-CB 4.17Å; C161-C174 WeakPolarHBondContact CB-SG 3.39Å; C161-C174 PolarHBondContact N-SG 2.57Å; C161-C174 VanDerWaalsContact SG-CA 3.58Å; C161-C174 WeakPolarHBondContact SG-CB 3.42Å; C161-C174 CovalentContact SG-SG 2.04Å; C161-C174 PolarHBondContact SG-SG 3.09Å
162R97.9Very high97.1Very high99 Ų9944.9 Ų44.937%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-88.9148174.1-64-63.5-174.9174.87.1110.2S4 E5 F6 I7 F170 S171S4-R162 WeakPolarHBondContact OG-CG 3.44Å; S4-R162 PolarHBondContact OG-NE 3.4Å; E5-R162 PolarHBondContact O-N 3.22Å; F6-R162 CarbonylContact C-O 3.54Å; F6-R162 WeakPolarHBondContact CA-O 3.3Å; F6-R162 HydrophobicContact CD2-CB 3.82Å; I7-R162 PolarHBondContact N-O 3.24Å; R162-F170 WeakPolarHBondContact CA-O 3.28Å; R162-S171 PolarHBondContact NH1-OG 3.03Å
163A98Very high97.1Very high0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-145.4151.4177.600000109W63 L169 F170 V172W63-A163 HydrophobicContact CD2-CB 4.39Å; W63-A163 HydrophobicContact CH2-CB 4.02Å; W63-A163 HydrophobicContact CZ2-CB 3.31Å; A163-L169 WeakPolarHBondContact O-CA 3.27Å; A163-F170 PolarHBondContact N-O 2.9Å; A163-F170 PolarHBondContact O-N 2.62Å; A163-V172 HydrophobicContact CB-CB 4.44Å; A163-V172 HydrophobicContact CB-CG1 3.62Å; A163-V172 HydrophobicContact CB-CG2 3.95Å
164E97.9Very high97.1Very high69 Ų6943.8 Ų43.832%0.32224%0.235SC..EExtended strand (participates in β ladder)trans-104.5136169.4-179.7-82.7125.700109.1F6 W63 L166 G167 E168 L169F6-E164 HydrophobicContact CE2-CB 4.28Å; F6-E164 HydrophobicContact CZ-CB 3.85Å; W63-E164 PolarHBondContact NE1-O 2.84Å; E164-L166 WeakPolarHBondContact OE1-CA 3.43Å; E164-L166 PolarHBondContact OE1-N 3.48Å; E164-G167 PolarHBondContact OE1-N 2.88Å; E164-E168 WeakPolarHBondContact CA-O 3.4Å; E164-L169 HydrophobicContact CB-CD2 4.34Å
165L98.2Very high97.1Very high2 Ų244.5 Ų44.51%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-137.1109.2173.3175.962.9000109.3I36 L55 T59 W63 G167 E168 F170I36-L165 HydrophobicContact CD1-CD2 3.61Å; I36-L165 HydrophobicContact CD1-CG 3.95Å; L55-L165 HydrophobicContact CD1-CB 4.49Å; L55-L165 HydrophobicContact CD1-CD2 3.91Å; T59-L165 HydrophobicContact CG2-CD2 4.34Å; W63-L165 HydrophobicContact CB-CD1 4.13Å; W63-L165 HydrophobicContact CB-CD2 4.48Å; L165-G167 VanDerWaalsContact C-N 3.33Å; L165-G167 PolarHBondContact O-N 3.43Å; L165-E168 PolarHBondContact N-O 3.08Å; L165-E168 PolarHBondContact O-N 3.5Å; L165-F170 HydrophobicContact CB-CD2 3.94Å; L165-F170 HydrophobicContact CB-CE2 4.12Å
166L97Very high97.1Very high63 Ų6342.6 Ų42.633%0.3323%0.227SC..THydrogen-bonded Turntrans52.344.6177.3-55.7179.4000114.2D33 I36 I69 E164D33-L166 HydrophobicContact CB-CD1 3.92Å; I36-L166 HydrophobicContact CG1-CB 4.16Å; I36-L166 HydrophobicContact CG1-CD1 3.82Å; I36-L166 HydrophobicContact CG1-CG 4.41Å; I69-L166 HydrophobicContact CD1-CD1 4.43Å; E164-L166 WeakPolarHBondContact OE1-CA 3.43Å; E164-L166 PolarHBondContact OE1-N 3.48Å
167G97.1Very high97.1Very high65 Ų6542.8 Ų42.867%0.6723%0.233SC*.THydrogen-bonded Turntrans93.3-11.4177.900000114.5E164 L165E164-G167 PolarHBondContact OE1-N 2.88Å; L165-G167 VanDerWaalsContact C-N 3.33Å; L165-G167 PolarHBondContact O-N 3.43Å
168E98.2Very high97.2Very high59 Ų5947.2 Ų47.228%0.27625%0.254SS..EExtended strand (participates in β ladder)trans-106.8142.7-174.9-77.6-68.715800112.3I36 A40 R43 E164 L165 F170I36-E168 HydrophobicContact CG2-CB 3.81Å; I36-E168 HydrophobicContact CG2-CG 3.8Å; A40-E168 HydrophobicContact CB-CB 4.45Å; A40-E168 HydrophobicContact CB-CG 3.89Å; R43-E168 IonicContact CZ-OE2 3.89Å; R43-E168 IonicContact NH1-OE2 3.46Å; R43-E168 PolarHBondContact NH1-OE2 2.8Å; R43-E168 IonicContact NH2-OE2 3.24Å; R43-E168 PolarHBondContact NH2-OE2 2.65Å; R43-E168 VanDerWaalsContact NH2-OE2 3.16Å; E164-E168 WeakPolarHBondContact CA-O 3.4Å; L165-E168 PolarHBondContact N-O 3.08Å; L165-E168 PolarHBondContact O-N 3.5Å; E168-F170 HydrophobicContact CB-CD2 4.28Å; E168-F170 HydrophobicContact CB-CE2 3.46Å; E168-F170 VanDerWaalsContact CB-CE2 3.46Å; E168-F170 HydrophobicContact CB-CZ 3.95Å; E168-F170 WeakPolarHBondContact O-CD2 3.15Å
169L97.8Very high97.6Very high100 Ų10042.3 Ų42.352%0.52422%0.22SC..EExtended strand (participates in β ladder)trans-88.9128.7178.2-73.3175.6000111.7F6 R43 A163 E164F6-L169 HydrophobicContact CE2-CD2 4.07Å; R43-L169 WeakPolarHBondContact CD-O 3.06Å; R43-L169 PolarHBondContact NH1-O 2.97Å; A163-L169 WeakPolarHBondContact O-CA 3.27Å; E164-L169 HydrophobicContact CB-CD2 4.34Å
170F98.4Very high97.7Very high1 Ų135.6 Ų35.60%0.00419%0.194CC..EExtended strand (participates in β ladder)trans-127.2169.1175.2-64.9-83.1000111.3I36 L39 A40 R43 L55 M78 R162 A163 L165 E168I36-F170 HydrophobicContact CG2-CE2 4.12Å; I36-F170 HydrophobicContact CG2-CZ 4.24Å; L39-F170 HydrophobicContact CB-CE1 4.43Å; L39-F170 HydrophobicContact CB-CZ 4.27Å; L39-F170 HydrophobicContact CD2-CE1 3.82Å; L39-F170 HydrophobicContact CD2-CE2 4.4Å; L39-F170 HydrophobicContact CD2-CZ 3.76Å; L39-F170 HydrophobicContact CG-CE1 3.76Å; L39-F170 HydrophobicContact CG-CZ 3.95Å; A40-F170 HydrophobicContact CB-CZ 4.19Å; R43-F170 HydrophobicContact CB-CD1 4.49Å; R43-F170 HydrophobicContact CB-CE1 4.19Å; R43-F170 HydrophobicContact CG-CD1 4.43Å; L55-F170 HydrophobicContact CD1-CB 4.18Å; L55-F170 HydrophobicContact CD1-CG 4.49Å; L55-F170 HydrophobicContact CD2-CB 3.95Å; L55-F170 HydrophobicContact CD2-CD1 3.86Å; L55-F170 HydrophobicContact CD2-CD2 4.31Å; L55-F170 HydrophobicContact CD2-CE1 4.48Å; L55-F170 HydrophobicContact CD2-CG 3.77Å; L55-F170 HydrophobicContact CG-CB 3.87Å; L55-F170 HydrophobicContact CG-CG 4.23Å; M78-F170 HydrophobicContact CE-CD1 4.19Å; M78-F170 HydrophobicContact CE-CE1 4.41Å; R162-F170 WeakPolarHBondContact CA-O 3.28Å; A163-F170 PolarHBondContact N-O 2.9Å; A163-F170 PolarHBondContact O-N 2.62Å; L165-F170 HydrophobicContact CB-CD2 3.94Å; L165-F170 HydrophobicContact CB-CE2 4.12Å; E168-F170 HydrophobicContact CB-CD2 4.28Å; E168-F170 HydrophobicContact CB-CE2 3.46Å; E168-F170 VanDerWaalsContact CB-CE2 3.46Å; E168-F170 HydrophobicContact CB-CZ 3.95Å; E168-F170 WeakPolarHBondContact O-CD2 3.15Å
171S98.4Very high97.7Very high8 Ų836.1 Ų36.16%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-95.5151.5164.5-51.60000109.4P53 Y54 L55 C161 R162P53-S171 WeakPolarHBondContact O-CB 3.49Å; Y54-S171 CarbonylContact C-O 3.51Å; Y54-S171 WeakPolarHBondContact CA-O 3.46Å; Y54-S171 VanDerWaalsContact CB-C 3.5Å; Y54-S171 WeakPolarHBondContact CB-O 3.44Å; L55-S171 PolarHBondContact N-O 2.99Å; C161-S171 CarbonylContact O-C 3.59Å; C161-S171 VanDerWaalsContact O-CA 3.25Å; C161-S171 WeakPolarHBondContact O-CA 3.3Å; R162-S171 PolarHBondContact NH1-OG 3.03Å
172V98.5Very high97.6Very high0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-137.7156.7173-65.80000109.6I7 L55 L60 W63 L160 C161 A163 C174 V176I7-V172 HydrophobicContact CD1-CG2 4.45Å; L55-V172 HydrophobicContact CB-CG1 4.12Å; L55-V172 HydrophobicContact CD1-CG1 4.05Å; L55-V172 HydrophobicContact CG-CG1 4.14Å; L60-V172 HydrophobicContact CD1-CB 4.02Å; L60-V172 HydrophobicContact CD1-CG1 3.89Å; W63-V172 HydrophobicContact CD2-CG1 4.32Å; W63-V172 HydrophobicContact CE3-CG1 3.93Å; W63-V172 HydrophobicContact CH2-CB 4.29Å; W63-V172 HydrophobicContact CH2-CG1 4.03Å; W63-V172 HydrophobicContact CH2-CG2 3.83Å; W63-V172 HydrophobicContact CZ2-CG1 4.42Å; W63-V172 HydrophobicContact CZ3-CB 4.11Å; W63-V172 HydrophobicContact CZ3-CG1 3.76Å; W63-V172 HydrophobicContact CZ3-CG2 4.13Å; L160-V172 CarbonylContact C-O 3.56Å; L160-V172 VanDerWaalsContact CA-O 3.27Å; L160-V172 WeakPolarHBondContact CA-O 3.23Å; C161-V172 HydrophobicContact CB-CG2 4.09Å; C161-V172 PolarHBondContact N-O 3.32Å; C161-V172 PolarHBondContact O-N 3.13Å; A163-V172 HydrophobicContact CB-CB 4.44Å; A163-V172 HydrophobicContact CB-CG1 3.62Å; A163-V172 HydrophobicContact CB-CG2 3.95Å; V172-C174 PolarHBondContact O-N 3.19Å; V172-V176 HydrophobicContact CG2-CG2 4.37Å
173P97.9Very high97.5Very high0 Ų032.2 Ų32.20%019%0.186CC..EExtended strand (participates in β ladder)trans-57.6132.4167-21.834.2000109.9Y54 L60 I157 N175 V176 V179Y54-P173 HydrophobicContact CD2-CG 3.94Å; Y54-P173 HydrophobicContact CE2-CG 4.08Å; L60-P173 HydrophobicContact CD2-CG 4.26Å; I157-P173 HydrophobicContact CD1-CG 4.5Å; I157-P173 HydrophobicContact CG2-CB 4.04Å; I157-P173 HydrophobicContact CG2-CG 4.27Å; P173-N175 PolarHBondContact O-N 3.15Å; P173-V176 WeakPolarHBondContact O-CG2 3.44Å; P173-V176 PolarHBondContact O-N 2.84Å; P173-V179 HydrophobicContact CB-CG2 3.94Å; P173-V179 HydrophobicContact CG-CG2 4.21Å
174C97.5Very high97.3Very high25 Ų2533.5 Ų33.517%0.16919%0.192CC..THydrogen-bonded Turntrans-65.4-27.2176.8-66.50000112.6R159 C161 V172 V176R159-C174 HydrophobicContact CB-CB 4.3Å; R159-C174 PolarHBondContact NE-SG 3.37Å; R159-C174 PolarHBondContact O-N 2.86Å; C161-C174 VanDerWaalsContact CA-SG 3.59Å; C161-C174 HydrophobicContact CB-CB 4.17Å; C161-C174 WeakPolarHBondContact CB-SG 3.39Å; C161-C174 PolarHBondContact N-SG 2.57Å; C161-C174 VanDerWaalsContact SG-CA 3.58Å; C161-C174 WeakPolarHBondContact SG-CB 3.42Å; C161-C174 CovalentContact SG-SG 2.04Å; C161-C174 PolarHBondContact SG-SG 3.09Å; V172-C174 PolarHBondContact O-N 3.19Å; C174-V176 VanDerWaalsContact C-N 3.27Å; C174-V176 PolarHBondContact O-N 3.32Å
175N97Very high97Very high29 Ų2930.3 Ų30.316%0.15518%0.177CC..THydrogen-bonded Turntrans-90.148.2174.162.2-31.8000112.3K156 P173 V177 E178 V179K156-N175 PolarHBondContact O-ND2 3.4Å; P173-N175 PolarHBondContact O-N 3.15Å; N175-V177 VanDerWaalsContact C-N 3.31Å; N175-V177 PolarHBondContact O-N 3.38Å; N175-E178 HydrophobicContact CB-CB 4.2Å; N175-E178 HydrophobicContact CB-CG 4.28Å; N175-E178 PolarHBondContact ND2-OE2 3.16Å; N175-E178 WeakPolarHBondContact O-CB 3.47Å; N175-E178 PolarHBondContact O-N 3.31Å; N175-V179 PolarHBondContact O-N 2.57Å; N175-V179 VanDerWaalsContact O-N 3.17Å
176V97.6Very high96.7Very high4 Ų435.1 Ų35.12%0.02421%0.206CC..Hα-helixtrans-46.5-50.9-175.2-176.30000112.5I7 L60 W63 Y64 V172 P173 C174 E178 V179 L180I7-V176 HydrophobicContact CD1-CG2 4.16Å; L60-V176 HydrophobicContact CD1-CG1 4.14Å; L60-V176 HydrophobicContact CD2-CG1 4.44Å; L60-V176 HydrophobicContact CG-CG1 4.25Å; W63-V176 HydrophobicContact CH2-CG2 4.17Å; W63-V176 HydrophobicContact CZ3-CG1 3.98Å; W63-V176 HydrophobicContact CZ3-CG2 3.83Å; Y64-V176 HydrophobicContact CD1-CG1 3.74Å; Y64-V176 HydrophobicContact CD2-CB 4.36Å; Y64-V176 HydrophobicContact CD2-CG1 3.72Å; Y64-V176 HydrophobicContact CE1-CG1 4.15Å; Y64-V176 HydrophobicContact CE2-CB 4.34Å; Y64-V176 HydrophobicContact CE2-CG1 4.14Å; Y64-V176 HydrophobicContact CG-CG1 3.5Å; V172-V176 HydrophobicContact CG2-CG2 4.37Å; P173-V176 WeakPolarHBondContact O-CG2 3.44Å; P173-V176 PolarHBondContact O-N 2.84Å; C174-V176 VanDerWaalsContact C-N 3.27Å; C174-V176 PolarHBondContact O-N 3.32Å; V176-E178 VanDerWaalsContact C-N 3.31Å; V176-E178 PolarHBondContact O-N 2.82Å; V176-V179 PolarHBondContact O-N 3.23Å; V176-L180 HydrophobicContact CG1-CD1 3.83Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 2.85Å
177V97.2Very high96.4Very high64 Ų6435.6 Ų35.639%0.38821%0.21SC..Hα-helixtrans-61.2-39.2-176.6176.60000111.8Y64 N175 N181 W188Y64-V177 HydrophobicContact CE1-CG2 3.74Å; N175-V177 VanDerWaalsContact C-N 3.31Å; N175-V177 PolarHBondContact O-N 3.38Å; V177-N181 WeakPolarHBondContact O-CB 3.44Å; V177-N181 PolarHBondContact O-N 3.46Å; V177-W188 HydrophobicContact CG1-CZ2 4.39Å; V177-W188 HydrophobicContact CG2-CZ2 4.33Å
178E97.4Very high96.1Very high104 Ų10433.7 Ų33.749%0.48618%0.182SC..Hα-helixtrans-68.6-39.7179.7-65175.3-137.100111.5P155 N175 V176 N181 A182P155-E178 HydrophobicContact CB-CB 4.19Å; P155-E178 HydrophobicContact CG-CB 3.98Å; N175-E178 HydrophobicContact CB-CB 4.2Å; N175-E178 HydrophobicContact CB-CG 4.28Å; N175-E178 PolarHBondContact ND2-OE2 3.16Å; N175-E178 WeakPolarHBondContact O-CB 3.47Å; N175-E178 PolarHBondContact O-N 3.31Å; V176-E178 VanDerWaalsContact C-N 3.31Å; V176-E178 PolarHBondContact O-N 2.82Å; E178-N181 PolarHBondContact O-N 3.03Å; E178-A182 PolarHBondContact O-N 3.33Å
179V97.7Very high95.7Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-64.7-49175.5176.10000110.4F56 L60 Y154 I157 P173 N175 V176 N181 A182 D183F56-V179 HydrophobicContact CE2-CG1 3.94Å; L60-V179 HydrophobicContact CD2-CB 4.35Å; L60-V179 HydrophobicContact CD2-CG1 3.85Å; Y154-V179 HydrophobicContact CD1-CG1 3.91Å; Y154-V179 HydrophobicContact CE1-CG1 4.07Å; I157-V179 HydrophobicContact CD1-CG2 4.05Å; I157-V179 HydrophobicContact CG1-CG2 3.93Å; P173-V179 HydrophobicContact CB-CG2 3.94Å; P173-V179 HydrophobicContact CG-CG2 4.21Å; N175-V179 PolarHBondContact O-N 2.57Å; N175-V179 VanDerWaalsContact O-N 3.17Å; V176-V179 PolarHBondContact O-N 3.23Å; V179-N181 VanDerWaalsContact C-N 3.33Å; V179-N181 PolarHBondContact O-N 3.48Å; V179-A182 WeakPolarHBondContact O-CB 3.43Å; V179-A182 PolarHBondContact O-N 2.9Å; V179-A182 VanDerWaalsContact O-N 3.12Å; V179-D183 PolarHBondContact O-N 3.48Å
180L97.2Very high95.1Very high0 Ų035.8 Ų35.80%019%0.187CC..Hα-helixtrans-63.8-37.5177.4-67179.6000112.4L60 L61 Y64 V176 A182 D183 Y184 W188L60-L180 HydrophobicContact CB-CD2 4.45Å; L60-L180 HydrophobicContact CD2-CD2 4.07Å; L60-L180 HydrophobicContact CD2-CG 4.4Å; L60-L180 HydrophobicContact CG-CD2 4.1Å; L61-L180 HydrophobicContact CB-CD2 3.85Å; L61-L180 HydrophobicContact CD1-CD1 4.29Å; L61-L180 HydrophobicContact CD1-CD2 4.21Å; Y64-L180 HydrophobicContact CD1-CD1 3.63Å; Y64-L180 HydrophobicContact CG-CD1 4.18Å; V176-L180 HydrophobicContact CG1-CD1 3.83Å; V176-L180 HydrophobicContact CG1-CG 4.2Å; V176-L180 WeakPolarHBondContact O-CG 3.3Å; V176-L180 PolarHBondContact O-N 2.85Å; L180-A182 VanDerWaalsContact C-N 3.28Å; L180-A182 PolarHBondContact O-N 3.41Å; L180-D183 PolarHBondContact O-N 2.87Å; L180-Y184 HydrophobicContact CD2-CD2 4.3Å; L180-Y184 HydrophobicContact CD2-CE2 3.99Å; L180-Y184 WeakPolarHBondContact O-CD2 3.48Å; L180-Y184 PolarHBondContact O-N 3.07Å; L180-W188 HydrophobicContact CB-CB 4.36Å; L180-W188 HydrophobicContact CB-CD2 4.24Å; L180-W188 HydrophobicContact CB-CG 4.14Å; L180-W188 HydrophobicContact CD1-CD2 4.31Å; L180-W188 HydrophobicContact CD1-CE3 3.9Å; L180-W188 HydrophobicContact CD1-CZ3 4.13Å
181N96.8Very high94.2Very high66 Ų6636.3 Ų36.335%0.35319%0.191SC..Hα-helixtrans-66.3-30.8175.6-174.751.2000112V177 E178 V179 G185 T186V177-N181 WeakPolarHBondContact O-CB 3.44Å; V177-N181 PolarHBondContact O-N 3.46Å; E178-N181 PolarHBondContact O-N 3.03Å; V179-N181 VanDerWaalsContact C-N 3.33Å; V179-N181 PolarHBondContact O-N 3.48Å; N181-G185 WeakPolarHBondContact O-CA 3.28Å; N181-G185 PolarHBondContact O-N 3.06Å; N181-G185 WeakPolarHBondContact OD1-CA 3.27Å; N181-G185 PolarHBondContact OD1-O 3.28Å; N181-T186 VanDerWaalsContact OD1-CA 3.3Å; N181-T186 WeakPolarHBondContact OD1-CA 3.44Å; N181-T186 PolarHBondContact OD1-N 2.84Å
182A96.8Very high92.8Very high18 Ų1839.2 Ų39.215%0.14921%0.205CC..Hα-helixtrans-66-43.2174.200000111.7Y154 E178 V179 L180 N205Y154-A182 HydrophobicContact CD1-CB 3.87Å; Y154-A182 HydrophobicContact CE1-CB 4.35Å; E178-A182 PolarHBondContact O-N 3.33Å; V179-A182 WeakPolarHBondContact O-CB 3.43Å; V179-A182 PolarHBondContact O-N 2.9Å; V179-A182 VanDerWaalsContact O-N 3.12Å; L180-A182 VanDerWaalsContact C-N 3.28Å; L180-A182 PolarHBondContact O-N 3.41Å; A182-N205 VanDerWaalsContact O-CB 3.25Å; A182-N205 WeakPolarHBondContact O-CB 3.43Å; A182-N205 VanDerWaalsContact O-CG 3.23Å; A182-N205 PolarHBondContact O-N 2.65Å
183D94.7Very high91.3Very high0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-71.1-58.8177.5-71.7-34.4000111.6Y154 V179 L180 H203 R204 N205Y154-D183 WeakPolarHBondContact CE1-OD1 3.45Å; Y154-D183 VanDerWaalsContact CZ-OD1 3.26Å; Y154-D183 PolarHBondContact OH-OD1 3.14Å; V179-D183 PolarHBondContact O-N 3.48Å; L180-D183 PolarHBondContact O-N 2.87Å; D183-H203 CarbonylContact O-C 3.48Å; D183-H203 WeakPolarHBondContact O-CA 3.47Å; D183-H203 IonicContact OD1-ND1 2.71Å; D183-H203 PolarHBondContact OD1-ND1 3.19Å; D183-R204 PolarHBondContact O-N 3.43Å; D183-N205 PolarHBondContact OD1-ND2 2.96Å; D183-N205 PolarHBondContact OD1-OD1 3.27Å
184Y93.6Very high89.8Confident27 Ų2747.4 Ų47.411%0.10625%0.246CC..Hα-helixtrans-103.9-7.9-164.6-52.4-81.4000113.8G57 L61 L180 W188 F197 H203G57-Y184 PolarHBondContact O-OH 3.33Å; L61-Y184 HydrophobicContact CB-CE2 3.96Å; L61-Y184 HydrophobicContact CD1-CD2 4.46Å; L61-Y184 HydrophobicContact CD1-CE2 4.4Å; L61-Y184 HydrophobicContact CD2-CD1 4.2Å; L61-Y184 HydrophobicContact CD2-CD2 4.13Å; L61-Y184 HydrophobicContact CD2-CE1 3.71Å; L61-Y184 HydrophobicContact CD2-CE2 3.67Å; L61-Y184 HydrophobicContact CD2-CG 4.39Å; L61-Y184 VanDerWaalsContact CD2-CZ 3.44Å; L61-Y184 HydrophobicContact CG-CE2 4.22Å; L180-Y184 HydrophobicContact CD2-CD2 4.3Å; L180-Y184 HydrophobicContact CD2-CE2 3.99Å; L180-Y184 WeakPolarHBondContact O-CD2 3.48Å; L180-Y184 PolarHBondContact O-N 3.07Å; Y184-W188 HydrophobicContact CD2-CB 4.32Å; Y184-W188 HydrophobicContact CG-CB 4.33Å; Y184-F197 HydrophobicContact CE1-CE2 4.38Å; Y184-F197 HydrophobicContact CE1-CZ 4.13Å; Y184-H203 AromaticContact CE1-CD2 3.99Å; Y184-H203 AromaticContact CE1-NE2 3.44Å; Y184-H203 WeakPolarHBondContact CE1-NE2 3.07Å; Y184-H203 AromaticContact CZ-NE2 3.75Å
185G92.9Very high88.4Confident2 Ų256.4 Ų56.42%0.02128%0.282CS..  trans74.4-171.2-172.600000113.7N181 N187 W188N181-G185 WeakPolarHBondContact O-CA 3.28Å; N181-G185 PolarHBondContact O-N 3.06Å; N181-G185 WeakPolarHBondContact OD1-CA 3.27Å; N181-G185 PolarHBondContact OD1-O 3.28Å; G185-N187 PolarHBondContact O-N 2.03Å; G185-W188 WeakPolarHBondContact O-CB 3.28Å; G185-W188 PolarHBondContact O-N 3.07Å
186T91.8Very high87.3Confident102 Ų10259.6 Ų59.663%0.62630%0.303SS*.THydrogen-bonded Turntrans-64.5-14.7-172.752.80000114N181N181-T186 VanDerWaalsContact OD1-CA 3.3Å; N181-T186 WeakPolarHBondContact OD1-CA 3.44Å; N181-T186 PolarHBondContact OD1-N 2.84Å
187N90Very high86.6Confident74 Ų7463.1 Ų63.140%0.39632%0.318SS..THydrogen-bonded Turntrans-96.815.6177.8-69.5-39.6000113.2G185 S189 R190G185-N187 PolarHBondContact O-N 2.03Å; N187-S189 PolarHBondContact O-N 3.28Å; N187-R190 WeakPolarHBondContact O-CB 3.17Å; N187-R190 PolarHBondContact O-N 3.3Å
188W91.7Very high86.2Confident25 Ų2562.7 Ų62.710%0.09531%0.313CS..THydrogen-bonded Turntrans-51.7-30179.767.4-101.4000113.7M13 L61 Y64 R65 V177 L180 Y184 G185 R190M13-W188 HydrophobicContact CE-CH2 4Å; M13-W188 HydrophobicContact CE-CZ3 4.43Å; M13-W188 HydrophobicContact SD-CH2 4.08Å; M13-W188 HydrophobicContact SD-CZ3 3.93Å; L61-W188 HydrophobicContact CD1-CE3 4.05Å; Y64-W188 AromaticContact CD1-CH2 3.63Å; Y64-W188 HydrophobicContact CD1-CH2 3.63Å; Y64-W188 HydrophobicContact CD1-CZ2 4.46Å; Y64-W188 AromaticContact CD1-CZ3 3.79Å; Y64-W188 HydrophobicContact CD1-CZ3 3.79Å; Y64-W188 AromaticContact CE1-CH2 3.52Å; Y64-W188 HydrophobicContact CE1-CH2 3.52Å; Y64-W188 HydrophobicContact CE1-CZ2 4.09Å; Y64-W188 HydrophobicContact CE1-CZ3 4.18Å; R65-W188 HydrophobicContact CB-CZ3 4.31Å; R65-W188 PolarHBondContact NH1-O 2.65Å; V177-W188 HydrophobicContact CG1-CZ2 4.39Å; V177-W188 HydrophobicContact CG2-CZ2 4.33Å; L180-W188 HydrophobicContact CB-CB 4.36Å; L180-W188 HydrophobicContact CB-CD2 4.24Å; L180-W188 HydrophobicContact CB-CG 4.14Å; L180-W188 HydrophobicContact CD1-CD2 4.31Å; L180-W188 HydrophobicContact CD1-CE3 3.9Å; L180-W188 HydrophobicContact CD1-CZ3 4.13Å; Y184-W188 HydrophobicContact CD2-CB 4.32Å; Y184-W188 HydrophobicContact CG-CB 4.33Å; G185-W188 WeakPolarHBondContact O-CB 3.28Å; G185-W188 PolarHBondContact O-N 3.07Å; W188-R190 PolarHBondContact O-N 2.92Å
189S88.5Confident85.7Confident43 Ų4362.2 Ų62.230%0.30131%0.307SS..THydrogen-bonded Turntrans-72.8-11.6179.259.60000113.9N187N187-S189 PolarHBondContact O-N 3.28Å
190R85.2Confident85.3Confident159 Ų15965.2 Ų65.260%0.632%0.318SS*.SBendtrans-88.2129.5174.6-59-176-179.6-169.7-0.6109.4R65 N187 W188 I192R65-R190 PolarHBondContact NH1-O 2.92Å; R65-R190 VanDerWaalsContact NH1-O 3.13Å; N187-R190 WeakPolarHBondContact O-CB 3.17Å; N187-R190 PolarHBondContact O-N 3.3Å; W188-R190 PolarHBondContact O-N 2.92Å; R190-I192 PolarHBondContact O-N 3.35Å
191T79.1Confident84.9Confident13 Ų1371.9 Ų71.98%0.0835%0.347CS..  trans-60.2134.6170.3-50.50000110I17 E193I17-T191 WeakPolarHBondContact CG2-OG1 3.3Å; T191-E193 HydrophobicContact CG2-CG 4.01Å
192I70.1Confident84.5Confident68 Ų6871.3 Ų71.335%0.34935%0.349SS..  trans-102.599.8170.3-60.2172.5000105.5H72 R190 D194 F197H72-I192 PolarHBondContact NE2-O 3.22Å; R190-I192 PolarHBondContact O-N 3.35Å; I192-D194 HydrophobicContact CG2-CB 3.51Å; I192-D194 PolarHBondContact O-N 3.17Å; I192-F197 HydrophobicContact CD1-CD2 4.35Å; I192-F197 HydrophobicContact CD1-CE2 4.31Å; I192-F197 HydrophobicContact CG2-CD2 4.24Å
193E66.5Low84.2Confident87 Ų8771.6 Ų71.641%0.40735%0.347SS..  trans-82.514.4172.1-61.6-169.4144.300112.1Y21 S24 T191 K195Y21-E193 WeakPolarHBondContact CB-OE1 3.34Å; Y21-E193 HydrophobicContact CD1-CG 4.43Å; Y21-E193 WeakPolarHBondContact CD1-OE1 3.32Å; S24-E193 WeakPolarHBondContact CB-OE1 3.14Å; S24-E193 PolarHBondContact OG-OE1 3.42Å; T191-E193 HydrophobicContact CG2-CG 4.01Å; E193-K195 PolarHBondContact O-N 3.12Å; E193-K195 VanDerWaalsContact O-N 3.08Å
194D66.2Low84Confident85 Ų8579.9 Ų79.946%0.45538%0.378SS..  trans-73.3105.7-174.9-166.6-12.2000109.9I192 T196 F197I192-D194 HydrophobicContact CG2-CB 3.51Å; I192-D194 PolarHBondContact O-N 3.17Å; D194-T196 PolarHBondContact O-N 2.75Å; D194-T196 WeakPolarHBondContact OD1-CA 3.16Å; D194-T196 VanDerWaalsContact OD1-CB 3.23Å; D194-T196 WeakPolarHBondContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.19Å; D194-T196 PolarHBondContact OD1-N 3Å; D194-T196 PolarHBondContact OD1-OG1 2.94Å; D194-T196 PolarHBondContact OD2-OG1 3.27Å; D194-F197 VanDerWaalsContact O-CB 3.3Å; D194-F197 WeakPolarHBondContact O-CB 3.34Å; D194-F197 PolarHBondContact O-N 3.3Å
195K68.4Low84Confident214 Ų21479.4 Ų79.493%0.9338%0.377SS*.THydrogen-bonded Turntrans-57.7-11.4171.3-67.2-177.7178.9-179.30113E193E193-K195 PolarHBondContact O-N 3.12Å; E193-K195 VanDerWaalsContact O-N 3.08Å
196T73.9Confident84.1Confident97 Ų9780.4 Ų80.460%0.59538%0.383SS*.THydrogen-bonded Turntrans-96817579.20000113.6D194 I198D194-T196 PolarHBondContact O-N 2.75Å; D194-T196 WeakPolarHBondContact OD1-CA 3.16Å; D194-T196 VanDerWaalsContact OD1-CB 3.23Å; D194-T196 WeakPolarHBondContact OD1-CB 3.29Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.19Å; D194-T196 PolarHBondContact OD1-N 3Å; D194-T196 PolarHBondContact OD1-OG1 2.94Å; D194-T196 PolarHBondContact OD2-OG1 3.27Å; T196-I198 PolarHBondContact O-N 3.35Å; T196-I198 VanDerWaalsContact O-N 3.13Å
197F83.8Confident84.3Confident78 Ų7880.1 Ų80.134%0.34237%0.374SS..  trans-55.8119.7173.7-177.5-92.5000110.6Y184 I192 D194 W199 S202 H203Y184-F197 HydrophobicContact CE1-CE2 4.38Å; Y184-F197 HydrophobicContact CE1-CZ 4.13Å; I192-F197 HydrophobicContact CD1-CD2 4.35Å; I192-F197 HydrophobicContact CD1-CE2 4.31Å; I192-F197 HydrophobicContact CG2-CD2 4.24Å; D194-F197 VanDerWaalsContact O-CB 3.3Å; D194-F197 WeakPolarHBondContact O-CB 3.34Å; D194-F197 PolarHBondContact O-N 3.3Å; F197-W199 HydrophobicContact CE1-CB 4.01Å; F197-W199 HydrophobicContact CZ-CB 4.37Å; F197-S202 VanDerWaalsContact CE2-CB 3.48Å; F197-H203 AromaticContact CZ-CD2 3.8Å; F197-H203 AromaticContact CZ-NE2 3.56Å
198I87.1Confident84.5Confident55 Ų5581.7 Ų81.728%0.28238%0.379SS..  trans-129.3107.9175-67.1170.8000105.4T196 Y200 K201 S202T196-I198 PolarHBondContact O-N 3.35Å; T196-I198 VanDerWaalsContact O-N 3.13Å; I198-Y200 VanDerWaalsContact C-N 3.25Å; I198-Y200 HydrophobicContact CG2-CD1 3.5Å; I198-Y200 VanDerWaalsContact CG2-CD1 3.5Å; I198-Y200 HydrophobicContact CG2-CD2 4.12Å; I198-Y200 HydrophobicContact CG2-CE1 3.16Å; I198-Y200 HydrophobicContact CG2-CE2 3.85Å; I198-Y200 HydrophobicContact CG2-CG 3.96Å; I198-Y200 PolarHBondContact O-N 3.17Å; I198-K201 HydrophobicContact CB-CB 4.22Å; I198-K201 HydrophobicContact CB-CD 4.11Å; I198-K201 HydrophobicContact CB-CG 4.17Å; I198-K201 HydrophobicContact CD1-CD 3.94Å; I198-K201 HydrophobicContact CG2-CB 4.27Å; I198-K201 HydrophobicContact CG2-CD 4.04Å; I198-K201 HydrophobicContact CG2-CG 3.82Å; I198-K201 CarbonylContact O-C 3.58Å; I198-K201 WeakPolarHBondContact O-CA 3.25Å; I198-K201 PolarHBondContact O-N 3.03Å; I198-S202 PolarHBondContact N-OG 3.42Å; I198-S202 WeakPolarHBondContact O-CB 3Å; I198-S202 PolarHBondContact O-N 3.45Å; I198-S202 PolarHBondContact O-OG 3.39Å
199W88.6Confident84.7Confident94 Ų9482.1 Ų82.136%0.35638%0.383SS..Hα-helixtrans-47-45.8-171.266.5-97.9000113.2L150 F197 K201 S202 H203L150-W199 HydrophobicContact CD1-CH2 3.33Å; L150-W199 HydrophobicContact CD1-CZ2 4.18Å; L150-W199 HydrophobicContact CD1-CZ3 3.72Å; F197-W199 HydrophobicContact CE1-CB 4.01Å; F197-W199 HydrophobicContact CZ-CB 4.37Å; W199-K201 PolarHBondContact O-N 3.2Å; W199-S202 PolarHBondContact O-N 2.82Å; W199-H203 VanDerWaalsContact O-CB 3.28Å; W199-H203 WeakPolarHBondContact O-CB 3.49Å; W199-H203 PolarHBondContact O-N 2.97Å
200Y88.3Confident84.9Confident62 Ų6285.7 Ų85.724%0.24340%0.395CS..Hα-helixtrans-73.6-11.4-177.465.3-99000114.3I143 L150 I198I143-Y200 HydrophobicContact CD1-CD1 4.47Å; I143-Y200 HydrophobicContact CD1-CD2 3.6Å; I143-Y200 HydrophobicContact CD1-CE2 3.73Å; I143-Y200 HydrophobicContact CD1-CG 4Å; I143-Y200 HydrophobicContact CG1-CD1 4.35Å; I143-Y200 HydrophobicContact CG1-CD2 4.33Å; I143-Y200 HydrophobicContact CG1-CG 4.25Å; L150-Y200 HydrophobicContact CD1-CG 4.37Å; I198-Y200 VanDerWaalsContact C-N 3.25Å; I198-Y200 HydrophobicContact CG2-CD1 3.5Å; I198-Y200 VanDerWaalsContact CG2-CD1 3.5Å; I198-Y200 HydrophobicContact CG2-CD2 4.12Å; I198-Y200 HydrophobicContact CG2-CE1 3.16Å; I198-Y200 HydrophobicContact CG2-CE2 3.85Å; I198-Y200 HydrophobicContact CG2-CG 3.96Å; I198-Y200 PolarHBondContact O-N 3.17Å
201K89.3Confident85.3Confident141 Ų14184 Ų8461%0.61339%0.392SS*.Hα-helixtrans-102.5-31.5172.9-59.8-175.8-175.7175.70112I198 W199I198-K201 HydrophobicContact CB-CB 4.22Å; I198-K201 HydrophobicContact CB-CD 4.11Å; I198-K201 HydrophobicContact CB-CG 4.17Å; I198-K201 HydrophobicContact CD1-CD 3.94Å; I198-K201 HydrophobicContact CG2-CB 4.27Å; I198-K201 HydrophobicContact CG2-CD 4.04Å; I198-K201 HydrophobicContact CG2-CG 3.82Å; I198-K201 CarbonylContact O-C 3.58Å; I198-K201 WeakPolarHBondContact O-CA 3.25Å; I198-K201 PolarHBondContact O-N 3.03Å; W199-K201 PolarHBondContact O-N 3.2Å
202S87.7Confident86Confident54 Ų5483.8 Ų83.838%0.37839%0.39SS..Hα-helixtrans-90.9-31.7-172-59.50000112.8F197 I198 W199F197-S202 VanDerWaalsContact CE2-CB 3.48Å; I198-S202 PolarHBondContact N-OG 3.42Å; I198-S202 WeakPolarHBondContact O-CB 3Å; I198-S202 PolarHBondContact O-N 3.45Å; I198-S202 PolarHBondContact O-OG 3.39Å; W199-S202 PolarHBondContact O-N 2.82Å
203H90.9Very high87.1Confident24 Ų2483.1 Ų83.111%0.11139%0.392CS..  trans-72.5139.1178-72.8-164.7000111.6D183 Y184 F197 W199 V206D183-H203 CarbonylContact O-C 3.48Å; D183-H203 WeakPolarHBondContact O-CA 3.47Å; D183-H203 IonicContact OD1-ND1 2.71Å; D183-H203 PolarHBondContact OD1-ND1 3.19Å; Y184-H203 AromaticContact CE1-CD2 3.99Å; Y184-H203 AromaticContact CE1-NE2 3.44Å; Y184-H203 WeakPolarHBondContact CE1-NE2 3.07Å; Y184-H203 AromaticContact CZ-NE2 3.75Å; F197-H203 AromaticContact CZ-CD2 3.8Å; F197-H203 AromaticContact CZ-NE2 3.56Å; W199-H203 VanDerWaalsContact O-CB 3.28Å; W199-H203 WeakPolarHBondContact O-CB 3.49Å; W199-H203 PolarHBondContact O-N 2.97Å; H203-V206 HydrophobicContact CB-CG2 3.6Å
204R90Very high88.4Confident173 Ų17384.1 Ų84.165%0.65340%0.4SS*.THydrogen-bonded Turntrans-80.9-22.2-174.2-64.3-168.1177.6-144-4114.2D183D183-R204 PolarHBondContact O-N 3.43Å
205N94.3Very high89.7Confident17 Ų1784.9 Ų84.99%0.09141%0.407CS..THydrogen-bonded Turntrans-93.73.1-17660.5-10.8000114C152 S153 Y154 A182 D183C152-N205 WeakPolarHBondContact CA-O 3.35Å; S153-N205 PolarHBondContact N-O 3.02Å; S153-N205 WeakPolarHBondContact O-CB 3.41Å; S153-N205 PolarHBondContact O-ND2 3.23Å; Y154-N205 VanDerWaalsContact CE1-ND2 3.29Å; Y154-N205 WeakPolarHBondContact CE1-ND2 3.22Å; Y154-N205 VanDerWaalsContact CZ-ND2 3.27Å; Y154-N205 PolarHBondContact OH-ND2 2.83Å; A182-N205 VanDerWaalsContact O-CB 3.25Å; A182-N205 WeakPolarHBondContact O-CB 3.43Å; A182-N205 VanDerWaalsContact O-CG 3.23Å; A182-N205 PolarHBondContact O-N 2.65Å; D183-N205 PolarHBondContact OD1-ND2 2.96Å; D183-N205 PolarHBondContact OD1-OD1 3.27Å
206V95.2Very high90.8Very high23 Ų2377 Ų7714%0.13937%0.374CS..EExtended strand (participates in β ladder)trans-80.3121.4-176.7177.40000110.8L150 H203L150-V206 HydrophobicContact CB-CG1 4.4Å; L150-V206 HydrophobicContact CD1-CG1 4.25Å; L150-V206 HydrophobicContact CD2-CG1 4.12Å; L150-V206 HydrophobicContact CG-CG1 4.49Å; H203-V206 HydrophobicContact CB-CG2 3.6Å
207Q95.4Very high91.7Very high96 Ų9673.9 Ų73.945%0.44935%0.351SS..EExtended strand (participates in β ladder)trans-105.3125.8172-61.9-179.8-5.200109.9L150 R151 L209L150-Q207 VanDerWaalsContact CA-O 3.31Å; L150-Q207 WeakPolarHBondContact CA-O 3.46Å; R151-Q207 PolarHBondContact N-O 2.92Å; R151-Q207 PolarHBondContact O-N 2.96Å; Q207-L209 HydrophobicContact CB-CD2 4.42Å
208H94.9Very high92.1Very high108 Ų10878.3 Ų78.350%0.537%0.37SS..EExtended strand (participates in β ladder)trans-81.6116.1171.8-71.6-101.8000110.3L150L150-H208 HydrophobicContact CD2-CB 4.29Å; L150-H208 WeakPolarHBondContact CD2-ND1 3.4Å
209L94.6Very high92.3Very high34 Ų3484.8 Ų84.818%0.17839%0.391CS..EExtended strand (participates in β ladder)trans-99.4-168.5-179.1-58.9-175.5000111.4R148 K149 R151 Q207R148-L209 WeakPolarHBondContact CD-O 3.31Å; R148-L209 PolarHBondContact NH1-O 3.48Å; K149-L209 HydrophobicContact CB-CB 4.05Å; K149-L209 HydrophobicContact CD-CB 4.33Å; K149-L209 HydrophobicContact CD-CD1 3.91Å; K149-L209 HydrophobicContact CG-CB 4.17Å; K149-L209 HydrophobicContact CG-CD1 4.03Å; K149-L209 WeakPolarHBondContact O-CB 3.33Å; K149-L209 PolarHBondContact O-N 3.48Å; R151-L209 HydrophobicContact CB-CD1 3.79Å; R151-L209 HydrophobicContact CB-CG 4.37Å; Q207-L209 HydrophobicContact CB-CD2 4.42Å
210E93.1Very high92.6Very high117 Ų11780.3 Ų80.355%0.54737%0.374SS..EExtended strand (participates in β ladder)trans-58.1160.7174.863.4-77.3174.200113.2K149K149-E210 WeakPolarHBondContact CB-O 3.35Å; K149-E210 PolarHBondContact N-O 3.07Å; K149-E210 VanDerWaalsContact N-O 3.09Å
211K94.5Very high92.9Very high123 Ų12380 Ų8054%0.53537%0.374SS..EExtended strand (participates in β ladder)trans-82.3141.4168-66.7-173.9179179.10108.9S146 R147 R148 S213S146-K211 WeakPolarHBondContact O-CD 3.31Å; R147-K211 CarbonylContact O-C 3.5Å; R147-K211 VanDerWaalsContact O-CA 3.3Å; R147-K211 WeakPolarHBondContact O-CA 2.98Å; R148-K211 VanDerWaalsContact NH2-CE 3.31Å; K211-S213 PolarHBondContact O-N 3.13Å
212Y93Very high93.1Very high9 Ų976.9 Ų76.94%0.03536%0.362CS..PPolyproline II helixtrans-63.3134.6168.4-65.8-67.9000110.2M142 R147 K149 E216 W217 V220M142-Y212 HydrophobicContact CB-CE2 4.49Å; M142-Y212 HydrophobicContact CE-CE2 4.08Å; R147-Y212 WeakPolarHBondContact O-CD2 3.48Å; R147-Y212 PolarHBondContact O-N 3.45Å; K149-Y212 HydrophobicContact CB-CD2 4.4Å; K149-Y212 HydrophobicContact CB-CE1 4.4Å; K149-Y212 HydrophobicContact CB-CE2 3.72Å; K149-Y212 HydrophobicContact CD-CE1 4.17Å; K149-Y212 HydrophobicContact CG-CE2 4.23Å; K149-Y212 WeakPolarHBondContact CG-OH 3.49Å; Y212-E216 VanDerWaalsContact CD1-CD 3.44Å; Y212-E216 HydrophobicContact CD1-CG 3.78Å; Y212-E216 HydrophobicContact CE1-CG 4.48Å; Y212-W217 AromaticContact CD2-CE3 3.85Å; Y212-W217 HydrophobicContact CD2-CE3 3.85Å; Y212-W217 AromaticContact CD2-CZ3 3.88Å; Y212-W217 HydrophobicContact CD2-CZ3 3.88Å; Y212-W217 HydrophobicContact CG-CE3 4.23Å; Y212-V220 HydrophobicContact CD1-CG2 3.89Å; Y212-V220 HydrophobicContact CD2-CG2 4Å; Y212-V220 HydrophobicContact CE1-CB 4.49Å; Y212-V220 HydrophobicContact CE1-CG1 4.24Å; Y212-V220 HydrophobicContact CE1-CG2 4.01Å; Y212-V220 HydrophobicContact CE2-CG2 4.13Å; Y212-V220 HydrophobicContact CG-CG2 3.85Å
213S94.3Very high93.4Very high55 Ų5576.4 Ų76.439%0.38536%0.357SS..PPolyproline II helixtrans-63.4160.9170.164.50000111.2K211 T215 E216 W217K211-S213 PolarHBondContact O-N 3.13Å; S213-T215 PolarHBondContact O-N 3.26Å; S213-T215 PolarHBondContact OG-OG1 3.36Å; S213-E216 PolarHBondContact O-N 2.89Å; S213-E216 WeakPolarHBondContact OG-CB 3.4Å; S213-E216 PolarHBondContact OG-N 3.31Å; S213-W217 WeakPolarHBondContact O-CB 3.36Å; S213-W217 PolarHBondContact O-N 3.46Å
214D92.8Very high93.4Very high108 Ų10876.3 Ų76.358%0.57836%0.356SS*.Hα-helixtrans-57.3-37.5178.4-73.31.7000113.2R147R147-D214 IonicContact CZ-OD1 3.57Å; R147-D214 IonicContact NH1-OD1 3.55Å; R147-D214 PolarHBondContact NH1-OD1 3.01Å
215T92.8Very high92.8Very high100 Ų10071 Ų7161%0.61334%0.34SS*.Hα-helixtrans-71.9-40.4179.4530000111.4S213S213-T215 PolarHBondContact O-N 3.26Å; S213-T215 PolarHBondContact OG-OG1 3.36Å
216E92.6Very high91.1Very high48 Ų4879 Ų7922%0.22437%0.37CS..Hα-helixtrans-71.1-40.4177.5-171.7173.7-162.800112K107 Y212 S213 K218 R219 V220K107-E216 WeakPolarHBondContact CE-OE1 3.45Å; K107-E216 IonicContact NZ-OE1 2.65Å; K107-E216 PolarHBondContact NZ-OE1 3.11Å; Y212-E216 VanDerWaalsContact CD1-CD 3.44Å; Y212-E216 HydrophobicContact CD1-CG 3.78Å; Y212-E216 HydrophobicContact CE1-CG 4.48Å; S213-E216 PolarHBondContact O-N 2.89Å; S213-E216 WeakPolarHBondContact OG-CB 3.4Å; S213-E216 PolarHBondContact OG-N 3.31Å; E216-K218 VanDerWaalsContact C-N 3.26Å; E216-K218 PolarHBondContact O-N 3.02Å; E216-R219 WeakPolarHBondContact O-CA 3.39Å; E216-R219 WeakPolarHBondContact O-CB 3.31Å; E216-R219 PolarHBondContact O-N 3Å; E216-V220 HydrophobicContact CG-CG1 3.98Å; E216-V220 WeakPolarHBondContact O-CG2 3.25Å; E216-V220 PolarHBondContact O-N 3.26Å
217W93.5Very high89.1Confident32 Ų3286.7 Ų86.712%0.12140%0.397CS..Hα-helixtrans-53.1-43.3179.2-174.5-109.4000112.2M142 P144 R147 Y212 S213 R219 V220 F221M142-W217 HydrophobicContact SD-CH2 3.98Å; M142-W217 HydrophobicContact SD-CZ3 4.04Å; P144-W217 HydrophobicContact CB-CH2 3.9Å; P144-W217 HydrophobicContact CB-CZ2 4.12Å; R147-W217 HydrophobicContact CB-CD2 4.08Å; R147-W217 HydrophobicContact CB-CE3 3.74Å; R147-W217 HydrophobicContact CB-CZ3 4.03Å; R147-W217 HydrophobicContact CG-CD2 3.64Å; R147-W217 HydrophobicContact CG-CE3 3.82Å; R147-W217 HydrophobicContact CG-CG 4.14Å; R147-W217 HydrophobicContact CG-CH2 4.38Å; R147-W217 HydrophobicContact CG-CZ2 4.16Å; R147-W217 HydrophobicContact CG-CZ3 4.2Å; Y212-W217 AromaticContact CD2-CE3 3.85Å; Y212-W217 HydrophobicContact CD2-CE3 3.85Å; Y212-W217 AromaticContact CD2-CZ3 3.88Å; Y212-W217 HydrophobicContact CD2-CZ3 3.88Å; Y212-W217 HydrophobicContact CG-CE3 4.23Å; S213-W217 WeakPolarHBondContact O-CB 3.36Å; S213-W217 PolarHBondContact O-N 3.46Å; W217-R219 PolarHBondContact O-N 3.34Å; W217-R219 VanDerWaalsContact O-N 3.14Å; W217-V220 HydrophobicContact CE3-CG2 4.1Å; W217-V220 PolarHBondContact O-N 2.91Å; W217-F221 HydrophobicContact CD2-CB 3.89Å; W217-F221 HydrophobicContact CD2-CG 4.47Å; W217-F221 AromaticContact CE2-CD1 3.9Å; W217-F221 AromaticContact CE2-CG 3.69Å; W217-F221 HydrophobicContact CE3-CB 4.11Å; W217-F221 HydrophobicContact CH2-CB 3.73Å; W217-F221 HydrophobicContact CH2-CD1 4.43Å; W217-F221 AromaticContact CH2-CD2 3.46Å; W217-F221 HydrophobicContact CH2-CD2 3.46Å; W217-F221 VanDerWaalsContact CH2-CD2 3.46Å; W217-F221 HydrophobicContact CH2-CE2 4.2Å; W217-F221 AromaticContact CH2-CG 3.62Å; W217-F221 HydrophobicContact CH2-CG 3.62Å; W217-F221 HydrophobicContact CZ2-CB 3.54Å; W217-F221 AromaticContact CZ2-CD1 3.62Å; W217-F221 HydrophobicContact CZ2-CD1 3.62Å; W217-F221 AromaticContact CZ2-CD2 3.46Å; W217-F221 HydrophobicContact CZ2-CD2 3.46Å; W217-F221 VanDerWaalsContact CZ2-CD2 3.46Å; W217-F221 HydrophobicContact CZ2-CE1 4.17Å; W217-F221 HydrophobicContact CZ2-CE2 4.06Å; W217-F221 AromaticContact CZ2-CG 3.23Å; W217-F221 HydrophobicContact CZ2-CG 3.23Å; W217-F221 HydrophobicContact CZ2-CZ 4.38Å; W217-F221 HydrophobicContact CZ3-CB 4.04Å; W217-F221 HydrophobicContact CZ3-CD2 4.41Å; W217-F221 HydrophobicContact CZ3-CG 4.41Å; W217-F221 AromaticContact NE1-CD1 3.94Å; W217-F221 WeakPolarHBondContact O-CB 3.47Å; W217-F221 PolarHBondContact O-N 3.04Å
218K91.5Very high87Confident171 Ų17187.5 Ų87.574%0.74340%0.396SS*.Hα-helixtrans-60.7-23176.8-68.1176.9-176.4178.80113.8E216E216-K218 VanDerWaalsContact C-N 3.26Å; E216-K218 PolarHBondContact O-N 3.02Å
219R91.6Very high84.6Confident191 Ų19187.9 Ų87.972%0.72141%0.406SS*.Hα-helixtrans-94.5-37.4-179.9-60.6178.8179.7176.1-0.6111.9E216 W217 Q222E216-R219 WeakPolarHBondContact O-CA 3.39Å; E216-R219 WeakPolarHBondContact O-CB 3.31Å; E216-R219 PolarHBondContact O-N 3Å; W217-R219 PolarHBondContact O-N 3.34Å; W217-R219 VanDerWaalsContact O-N 3.14Å; R219-Q222 PolarHBondContact O-NE2 2.92Å
220V94Very high82.3Confident1 Ų197 Ų971%0.00644%0.438CS..Hα-helixtrans-92.6-9.7-174.4-55.30000114.3L105 G106 K107 Y212 E216 W217L105-V220 CarbonylContact C-O 3.38Å; L105-V220 VanDerWaalsContact CA-O 3.22Å; L105-V220 WeakPolarHBondContact CA-O 3.1Å; G106-V220 PolarHBondContact N-O 3.43Å; G106-V220 WeakPolarHBondContact O-CA 3.42Å; K107-V220 HydrophobicContact CG-CG1 3.57Å; Y212-V220 HydrophobicContact CD1-CG2 3.89Å; Y212-V220 HydrophobicContact CD2-CG2 4Å; Y212-V220 HydrophobicContact CE1-CB 4.49Å; Y212-V220 HydrophobicContact CE1-CG1 4.24Å; Y212-V220 HydrophobicContact CE1-CG2 4.01Å; Y212-V220 HydrophobicContact CE2-CG2 4.13Å; Y212-V220 HydrophobicContact CG-CG2 3.85Å; E216-V220 HydrophobicContact CG-CG1 3.98Å; E216-V220 WeakPolarHBondContact O-CG2 3.25Å; E216-V220 PolarHBondContact O-N 3.26Å; W217-V220 HydrophobicContact CE3-CG2 4.1Å; W217-V220 PolarHBondContact O-N 2.91Å
221F94.7Very high79.8Confident54 Ų5499.7 Ų99.724%0.23745%0.448CS..EExtended strand (participates in β ladder)trans-124.696.3178.4-175-99.4000109.5W103 L105 M142 P144 W217 V223W103-F221 HydrophobicContact CE3-CE2 4.03Å; W103-F221 HydrophobicContact CE3-CZ 4.3Å; W103-F221 HydrophobicContact CZ3-CE2 4.3Å; L105-F221 HydrophobicContact CD2-CD2 3.48Å; L105-F221 VanDerWaalsContact CD2-CD2 3.48Å; L105-F221 HydrophobicContact CD2-CE2 3.78Å; L105-F221 HydrophobicContact CD2-CG 4.48Å; M142-F221 HydrophobicContact SD-CD2 3.96Å; P144-F221 HydrophobicContact CB-CD2 4.32Å; P144-F221 HydrophobicContact CB-CE2 3.72Å; P144-F221 HydrophobicContact CB-CZ 4.2Å; P144-F221 HydrophobicContact CG-CD2 4.49Å; P144-F221 HydrophobicContact CG-CE2 3.88Å; W217-F221 HydrophobicContact CD2-CB 3.89Å; W217-F221 HydrophobicContact CD2-CG 4.47Å; W217-F221 AromaticContact CE2-CD1 3.9Å; W217-F221 AromaticContact CE2-CG 3.69Å; W217-F221 HydrophobicContact CE3-CB 4.11Å; W217-F221 HydrophobicContact CH2-CB 3.73Å; W217-F221 HydrophobicContact CH2-CD1 4.43Å; W217-F221 AromaticContact CH2-CD2 3.46Å; W217-F221 HydrophobicContact CH2-CD2 3.46Å; W217-F221 VanDerWaalsContact CH2-CD2 3.46Å; W217-F221 HydrophobicContact CH2-CE2 4.2Å; W217-F221 AromaticContact CH2-CG 3.62Å; W217-F221 HydrophobicContact CH2-CG 3.62Å; W217-F221 HydrophobicContact CZ2-CB 3.54Å; W217-F221 AromaticContact CZ2-CD1 3.62Å; W217-F221 HydrophobicContact CZ2-CD1 3.62Å; W217-F221 AromaticContact CZ2-CD2 3.46Å; W217-F221 HydrophobicContact CZ2-CD2 3.46Å; W217-F221 VanDerWaalsContact CZ2-CD2 3.46Å; W217-F221 HydrophobicContact CZ2-CE1 4.17Å; W217-F221 HydrophobicContact CZ2-CE2 4.06Å; W217-F221 AromaticContact CZ2-CG 3.23Å; W217-F221 HydrophobicContact CZ2-CG 3.23Å; W217-F221 HydrophobicContact CZ2-CZ 4.38Å; W217-F221 HydrophobicContact CZ3-CB 4.04Å; W217-F221 HydrophobicContact CZ3-CD2 4.41Å; W217-F221 HydrophobicContact CZ3-CG 4.41Å; W217-F221 AromaticContact NE1-CD1 3.94Å; W217-F221 WeakPolarHBondContact O-CB 3.47Å; W217-F221 PolarHBondContact O-N 3.04Å; F221-V223 HydrophobicContact CD1-CG2 4.27Å; F221-V223 HydrophobicContact CE1-CG2 3.55Å; F221-V223 HydrophobicContact CZ-CG2 3.69Å
222Q93.8Very high77.1Confident77 Ų77106.3 Ų106.336%0.3648%0.48SS..EExtended strand (participates in β ladder)trans-117.7116.3-176.8-59.9-178.741.500110.2W103 V104 R219 F224W103-Q222 CarbonylContact C-O 3.45Å; W103-Q222 WeakPolarHBondContact CA-O 3.49Å; W103-Q222 VanDerWaalsContact CB-O 3.26Å; W103-Q222 WeakPolarHBondContact CB-O 3.12Å; V104-Q222 HydrophobicContact CB-CB 4.42Å; V104-Q222 PolarHBondContact N-O 2.87Å; V104-Q222 PolarHBondContact O-N 2.8Å; R219-Q222 PolarHBondContact O-NE2 2.92Å; Q222-F224 HydrophobicContact CB-CE2 3.77Å; Q222-F224 HydrophobicContact CB-CZ 4.33Å
223V93.7Very high76.3Confident44 Ų44111.2 Ų111.227%0.26750%0.502SS..EExtended strand (participates in β ladder)trans-105.3134.7177.9-177.20000110.1Y102 W103 F221 Y226Y102-V223 HydrophobicContact CD2-CG1 4.48Å; Y102-V223 HydrophobicContact CE2-CG1 4.28Å; W103-V223 HydrophobicContact CB-CG2 4.38Å; F221-V223 HydrophobicContact CD1-CG2 4.27Å; F221-V223 HydrophobicContact CE1-CG2 3.55Å; F221-V223 HydrophobicContact CZ-CG2 3.69Å; V223-Y226 HydrophobicContact CG1-CD2 3.99Å; V223-Y226 HydrophobicContact CG1-CE2 4.25Å
224F92.2Very high75.4Confident22 Ų22114.1 Ų114.110%0.09651%0.509CS..  trans-111.5-21.1-171.9-71.1-96.7000114L94 L101 Y102 V104 Q222 Y226 R227L94-F224 HydrophobicContact CD2-CD1 3.76Å; L94-F224 HydrophobicContact CD2-CE1 4.17Å; L101-F224 HydrophobicContact CB-CB 4.46Å; L101-F224 HydrophobicContact CD2-CD1 3.99Å; L101-F224 HydrophobicContact CD2-CD2 3.84Å; L101-F224 HydrophobicContact CD2-CE1 4.08Å; L101-F224 HydrophobicContact CD2-CE2 3.96Å; L101-F224 HydrophobicContact CD2-CG 3.86Å; L101-F224 HydrophobicContact CD2-CZ 4.07Å; L101-F224 HydrophobicContact CG-CB 4.23Å; L101-F224 HydrophobicContact CG-CD2 3.89Å; L101-F224 HydrophobicContact CG-CE2 4.42Å; L101-F224 HydrophobicContact CG-CG 3.99Å; L101-F224 VanDerWaalsContact O-CB 3.26Å; L101-F224 WeakPolarHBondContact O-CB 3.44Å; Y102-F224 PolarHBondContact O-N 3.17Å; V104-F224 HydrophobicContact CB-CE2 4.12Å; V104-F224 HydrophobicContact CG2-CD2 4.41Å; V104-F224 HydrophobicContact CG2-CE2 3.62Å; V104-F224 HydrophobicContact CG2-CZ 4.23Å; Q222-F224 HydrophobicContact CB-CE2 3.77Å; Q222-F224 HydrophobicContact CB-CZ 4.33Å; F224-Y226 VanDerWaalsContact C-N 3.28Å; F224-Y226 PolarHBondContact O-N 2.99Å; F224-R227 WeakPolarHBondContact O-CB 3.3Å; F224-R227 PolarHBondContact O-N 3.44Å
225L77.3Confident74.4Confident61 Ų61114.4 Ų114.432%0.31951%0.505SS..G310 helixtrans-56.2-36.9-178.1-91174.6000114.3V100 Y102 L119 R227 R228V100-L225 HydrophobicContact CG1-CD2 3.75Å; Y102-L225 HydrophobicContact CD2-CB 4.31Å; Y102-L225 HydrophobicContact CD2-CD1 3.14Å; Y102-L225 HydrophobicContact CD2-CG 3.69Å; Y102-L225 HydrophobicContact CE2-CD1 3.42Å; Y102-L225 VanDerWaalsContact CE2-CD1 3.42Å; Y102-L225 HydrophobicContact CE2-CG 4.31Å; Y102-L225 HydrophobicContact CG-CD1 4.18Å; L119-L225 HydrophobicContact CD1-CD1 3.54Å; L119-L225 HydrophobicContact CD1-CD2 4.18Å; L119-L225 HydrophobicContact CD1-CG 4.28Å; L225-R227 PolarHBondContact O-N 2.85Å; L225-R227 VanDerWaalsContact O-N 3.13Å; L225-R228 PolarHBondContact O-N 3.49Å
226Y58Low73.3Confident185 Ų185115.3 Ų115.373%0.72550%0.498SS*.G310 helixtrans-67.9-11.4180-69.2-77.2000114.1V223 F224V223-Y226 HydrophobicContact CG1-CD2 3.99Å; V223-Y226 HydrophobicContact CG1-CE2 4.25Å; F224-Y226 VanDerWaalsContact C-N 3.28Å; F224-Y226 PolarHBondContact O-N 2.99Å
227R52.9Low72.1Confident184 Ų184119.5 Ų119.569%0.69452%0.516SS*.G310 helixtrans-88.7-20.2-176.9-68.7-175.2170.7-176.6-1.8114.1F224 L225F224-R227 WeakPolarHBondContact O-CB 3.3Å; F224-R227 PolarHBondContact O-N 3.44Å; L225-R227 PolarHBondContact O-N 2.85Å; L225-R227 VanDerWaalsContact O-N 3.13Å
228R50.7Low70.7Confident113 Ų113125.3 Ų125.343%0.42654%0.542SS..THydrogen-bonded Turntrans-81.4-30178.8-84.1-169.7167.7176.90.6113.4L94 E96 L225 R230 K231L94-R228 PolarHBondContact O-NH2 3.01Å; L94-R228 VanDerWaalsContact O-NH2 3.08Å; E96-R228 PolarHBondContact O-NH1 3.46Å; E96-R228 VanDerWaalsContact O-NH1 3.11Å; E96-R228 PolarHBondContact O-NH2 2.96Å; L225-R228 PolarHBondContact O-N 3.49Å; R228-R230 VanDerWaalsContact C-N 3.25Å; R228-R230 PolarHBondContact O-N 3.04Å; R228-K231 PolarHBondContact O-N 2.76Å
229T45.8Very low69.2Low117 Ų117122.1 Ų122.172%0.71853%0.527SS*.THydrogen-bonded Turntrans-75.5-6.9-178.951.20000114.6
230R45.4Very low67.5Low225 Ų225116.8 Ų116.885%0.84951%0.513SS*.THydrogen-bonded Turntrans-99.310.4176.9-69.5-168.6176.8-172.9-0.7114.6R228R228-R230 VanDerWaalsContact C-N 3.25Å; R228-R230 PolarHBondContact O-N 3.04Å
231K41.4Very low65.3Low174 Ų174126.4 Ų126.476%0.75756%0.555SS**  trans-120.660176.2-73.3-169.4175.1-172.80110.8R228R228-K231 PolarHBondContact O-N 2.76Å
232H37.8Very low62.6Low261 Ų261133 Ų133100%1.20858%0.584SS**  trans-151.50153.6-79-42000108

Retrieved 232 of 232 residues in 266.5 ms (Link to these results)

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