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Glutathione reductase

Catalyzes the reduction of glutathione disulfide (GSSG) to reduced glutathione (GSH). Constitutes the major mechanism to maintain a high GSH:GSSG ratio in the cytosol.

AlphaFold DB , UniProt , Accession A0A077ZIX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 450 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
1M74.6Confident95.6Very high236 Ų23651 Ų51100%1.16326%0.259SS*.  0133.30-70.8-176.8-170.600107K3M1-K3 PolarHBondContact O-N 3.08Å
2T89.1Confident95.8Very high79 Ų7946.8 Ų46.849%0.48524%0.237SC..  trans-68.8123176.6-580000109.4T129 T131T2-T129 HydrophobicContact CG2-CG2 3.95Å; T2-T129 WeakPolarHBondContact CG2-O 3.24Å; T2-T131 HydrophobicContact CG2-CG2 3.62Å
3K96.9Very high96Very high91 Ų9144 Ų4440%0.39623%0.228SC..EExtended strand (participates in β ladder)trans-70143.1174.2-68.4-178-169.5128.80109.7M1 Y5 E128 I130 T131M1-K3 PolarHBondContact O-N 3.08Å; K3-Y5 HydrophobicContact CB-CE2 3.97Å; K3-E128 WeakPolarHBondContact CD-OE1 3.22Å; K3-E128 WeakPolarHBondContact CE-OE1 3.34Å; K3-E128 WeakPolarHBondContact CG-OE1 3.27Å; K3-E128 IonicContact NZ-OE1 2.91Å; K3-E128 PolarHBondContact NZ-OE1 3.43Å; K3-E128 IonicContact NZ-OE2 3.88Å; K3-E128 PolarHBondContact NZ-OE2 3.03Å; K3-E128 VanDerWaalsContact NZ-OE2 3.08Å; K3-I130 HydrophobicContact CB-CG2 4.15Å; K3-I130 WeakPolarHBondContact O-CA 3.29Å; K3-T131 PolarHBondContact O-N 2.93Å; K3-T131 PolarHBondContact O-OG1 3.09Å
4H98.6Very high96.2Very high83 Ų8342.4 Ų42.438%0.38422%0.222SC..EExtended strand (participates in β ladder)trans-121.2140.9176.8-173.774.9000110.4K29 T131 D133H4-K29 PolarHBondContact O-NZ 3.23Å; H4-T131 WeakPolarHBondContact CA-O 3.21Å; H4-T131 PolarHBondContact ND1-OG1 2.74Å; H4-D133 IonicContact CE1-OD1 2.72Å; H4-D133 PolarHBondContact CE1-OD1 3.4Å; H4-D133 IonicContact NE2-OD1 3.2Å; H4-D133 IonicContact NE2-OD2 2.75Å
5Y98.8Very high96.4Very high4 Ų439.9 Ų39.92%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-131.2155.7-178.6-69-86.1000109.6K3 I8 K29 A31 D109 T131 A132 D133K3-Y5 HydrophobicContact CB-CE2 3.97Å; Y5-I8 HydrophobicContact CD2-CD1 4.06Å; Y5-I8 HydrophobicContact CD2-CG1 4.19Å; Y5-I8 HydrophobicContact CG-CG1 4.23Å; Y5-K29 HydrophobicContact CD1-CD 4.21Å; Y5-K29 HydrophobicContact CD1-CG 3.87Å; Y5-K29 HydrophobicContact CE1-CG 4.28Å; Y5-A31 HydrophobicContact CD1-CB 3.83Å; Y5-A31 HydrophobicContact CD2-CB 4.09Å; Y5-A31 HydrophobicContact CE1-CB 3.69Å; Y5-A31 HydrophobicContact CE2-CB 3.94Å; Y5-A31 HydrophobicContact CG-CB 4.05Å; Y5-D109 HydrophobicContact CE1-CB 4.01Å; Y5-D109 WeakPolarHBondContact CE1-OD2 3.29Å; Y5-D109 VanDerWaalsContact CZ-OD2 3.32Å; Y5-D109 PolarHBondContact OH-OD2 2.85Å; Y5-T131 PolarHBondContact N-O 3.35Å; Y5-A132 WeakPolarHBondContact O-CA 3.4Å; Y5-A132 VanDerWaalsContact O-CB 3.29Å; Y5-A132 WeakPolarHBondContact O-CB 3.48Å; Y5-D133 PolarHBondContact O-N 3.44Å
6D98.8Very high96.6Very high51 Ų5137.4 Ų37.427%0.27320%0.197SC..EExtended strand (participates in β ladder)trans-75-37171.2-53.3-47.7000109.6Q28 K29 H134D6-Q28 HydrophobicContact CB-CB 4.25Å; D6-K29 PolarHBondContact N-O 3.17Å; D6-K29 VanDerWaalsContact OD2-CB 3.29Å; D6-K29 WeakPolarHBondContact OD2-CB 3.46Å; D6-K29 PolarHBondContact OD2-N 3.3Å; D6-H134 WeakPolarHBondContact O-CB 3.38Å; D6-H134 PolarHBondContact O-N 2.93Å; D6-H134 VanDerWaalsContact O-N 3.08Å
7Y98.9Very high96.7Very high0 Ų035.6 Ų35.60%019%0.188CC..EExtended strand (participates in β ladder)trans-143.4130-176.9-170.2-144000113S19 I20 A23 K29 C30 A31 H134 L136 Y299 F326Y7-S19 WeakPolarHBondContact CE1-OG 3.03Å; Y7-S19 PolarHBondContact OH-OG 2.93Å; Y7-I20 HydrophobicContact CD1-CD1 3.57Å; Y7-I20 HydrophobicContact CE1-CD1 4.09Å; Y7-I20 HydrophobicContact CG-CD1 4.22Å; Y7-A23 HydrophobicContact CD1-CB 3.58Å; Y7-A23 HydrophobicContact CE1-CB 4.03Å; Y7-K29 PolarHBondContact N-O 3.44Å; Y7-C30 VanDerWaalsContact O-CA 3.32Å; Y7-C30 WeakPolarHBondContact O-CA 3.46Å; Y7-A31 PolarHBondContact O-N 2.72Å; Y7-H134 WeakPolarHBondContact CA-O 3.39Å; Y7-H134 HydrophobicContact CD2-CB 3.54Å; Y7-H134 WeakPolarHBondContact CD2-O 3.49Å; Y7-H134 HydrophobicContact CE2-CB 4.17Å; Y7-H134 HydrophobicContact CG-CB 4.4Å; Y7-L136 HydrophobicContact CE2-CB 3.66Å; Y7-L136 WeakPolarHBondContact OH-CB 3.38Å; Y7-L136 VanDerWaalsContact OH-CD2 3.29Å; Y7-L136 WeakPolarHBondContact OH-CD2 3.15Å; Y7-Y299 HydrophobicContact CE2-CD2 4.48Å; Y7-F326 AromaticContact CD1-CE2 3.7Å; Y7-F326 HydrophobicContact CD1-CE2 3.7Å; Y7-F326 HydrophobicContact CD1-CZ 4.08Å; Y7-F326 HydrophobicContact CD2-CE2 4.39Å; Y7-F326 HydrophobicContact CD2-CZ 4.08Å; Y7-F326 HydrophobicContact CE1-CE2 4.01Å; Y7-F326 AromaticContact CG-CE2 3.9Å; Y7-F326 HydrophobicContact CG-CE2 3.9Å; Y7-F326 AromaticContact CG-CZ 3.77Å; Y7-F326 HydrophobicContact CG-CZ 3.77Å
8I98.9Very high96.8Very high0 Ų034.3 Ų34.30%018%0.183CC..EExtended strand (participates in β ladder)trans-117.8135.2171.4-67.2169.6000110Y5 A31 I33 L123 I130 A132 H134 I135 L136Y5-I8 HydrophobicContact CD2-CD1 4.06Å; Y5-I8 HydrophobicContact CD2-CG1 4.19Å; Y5-I8 HydrophobicContact CG-CG1 4.23Å; I8-A31 WeakPolarHBondContact CA-O 2.88Å; I8-A31 HydrophobicContact CG1-CB 4.16Å; I8-I33 HydrophobicContact CG2-CD1 3.82Å; I8-I33 HydrophobicContact CG2-CG1 4.34Å; I8-L123 HydrophobicContact CB-CD1 4.48Å; I8-L123 HydrophobicContact CD1-CD1 4.39Å; I8-L123 HydrophobicContact CG2-CD1 3.66Å; I8-I130 HydrophobicContact CD1-CB 4.44Å; I8-I130 HydrophobicContact CD1-CD1 4.01Å; I8-I130 HydrophobicContact CD1-CG1 4.05Å; I8-A132 HydrophobicContact CB-CB 4.18Å; I8-A132 HydrophobicContact CD1-CB 3.62Å; I8-A132 HydrophobicContact CG1-CB 3.66Å; I8-H134 PolarHBondContact N-O 3.15Å; I8-I135 CarbonylContact O-C 3.18Å; I8-I135 WeakPolarHBondContact O-CA 3.42Å; I8-L136 PolarHBondContact O-N 2.97Å
9A98.9Very high96.9Very high0 Ų032.5 Ų32.50%017%0.173CC..EExtended strand (participates in β ladder)trans-110.8127.1167.100000111.4I20 A31 L32 I33 L136A9-I20 HydrophobicContact CB-CB 4.5Å; A9-I20 HydrophobicContact CB-CD1 4.23Å; A9-A31 PolarHBondContact N-O 3.23Å; A9-L32 HydrophobicContact CB-CD1 3.71Å; A9-I33 PolarHBondContact O-N 3.43Å; A9-L136 CarbonylContact C-O 3.5Å; A9-L136 WeakPolarHBondContact CA-O 3.49Å; A9-L136 HydrophobicContact CB-CB 4.31Å; A9-L136 HydrophobicContact CB-CD2 4.26Å
10I98.9Very high97Very high9 Ų930.9 Ų30.95%0.04616%0.164CC..EExtended strand (participates in β ladder)trans-93.5106.6171.2-52.2173.6000108A115 F117 L123 I135 L136 A138 T139I10-A115 HydrophobicContact CG1-CB 4.37Å; I10-A115 HydrophobicContact CG2-CB 4.17Å; I10-F117 HydrophobicContact CD1-CD2 4.49Å; I10-F117 HydrophobicContact CD1-CE2 3.74Å; I10-F117 HydrophobicContact CD1-CZ 3.83Å; I10-L123 HydrophobicContact CD1-CD1 3.78Å; I10-L123 HydrophobicContact CD1-CD2 3.71Å; I10-L123 HydrophobicContact CD1-CG 4.42Å; I10-L123 HydrophobicContact CG1-CD1 3.83Å; I10-I135 HydrophobicContact CD1-CG2 4.2Å; I10-I135 HydrophobicContact CG1-CG2 4.49Å; I10-L136 PolarHBondContact N-O 2.95Å; I10-A138 CarbonylContact O-C 3.46Å; I10-A138 VanDerWaalsContact O-C 3.22Å; I10-A138 WeakPolarHBondContact O-CA 3.4Å; I10-A138 PolarHBondContact O-N 2.86Å; I10-T139 HydrophobicContact CB-CG2 4.49Å; I10-T139 HydrophobicContact CG2-CG2 3.8Å; I10-T139 PolarHBondContact O-N 2.93Å
11G98.8Very high97.1Very high8 Ų830.2 Ų30.28%0.08216%0.161CC..  trans113.9109.9-17800000112.5G13 G16 I33G11-G13 PolarHBondContact O-N 3.41Å; G11-G13 VanDerWaalsContact O-N 3.15Å; G11-G16 WeakPolarHBondContact O-CA 3.41Å; G11-I33 WeakPolarHBondContact CA-O 3.25Å; G11-I33 PolarHBondContact N-O 2.95Å
12G98.7Very high98.3Very high0 Ų021.3 Ų21.30%011%0.114CC..  trans-80.729.5173.700000114.2I17 E34 G39 G40G12-I17 WeakPolarHBondContact O-CD1 3.31Å; G12-I17 WeakPolarHBondContact O-CG1 3.4Å; G12-E34 VanDerWaalsContact CA-OE2 3.25Å; G12-E34 WeakPolarHBondContact CA-OE2 3.3Å; G12-E34 PolarHBondContact N-OE2 2.78Å; G12-G39 WeakPolarHBondContact O-CA 3.4Å; G12-G39 PolarHBondContact O-N 3.33Å; G12-G40 PolarHBondContact O-N 2.97Å
13G98.7Very high98.7Very high11 Ų1117.5 Ų17.511%0.1139%0.091CC..SBendtrans-84.3-167.2174.500000113.8G11 G15 G16 I17G11-G13 PolarHBondContact O-N 3.41Å; G11-G13 VanDerWaalsContact O-N 3.15Å; G13-G15 VanDerWaalsContact C-N 3.35Å; G13-G15 PolarHBondContact O-N 2.95Å; G13-G16 PolarHBondContact O-N 2.95Å; G13-I17 WeakPolarHBondContact O-CB 3.43Å; G13-I17 WeakPolarHBondContact O-CG1 3.48Å; G13-I17 PolarHBondContact O-N 2.76Å
14S98.7Very high98.8Very high21 Ų2113.8 Ų13.815%0.1478%0.078CC..Hα-helixtrans-54.6-44.8-178.3-56.80000113.6A18 T311S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.31Å; S14-T311 WeakPolarHBondContact OG-CG2 3.21Å; S14-T311 PolarHBondContact OG-OG1 3.42Å
15G98.7Very high98.8Very high5 Ų515.6 Ų15.65%0.0529%0.088CC..Hα-helixtrans-70.9-49.7-179.700000113.2G13 A18 S19G13-G15 VanDerWaalsContact C-N 3.35Å; G13-G15 PolarHBondContact O-N 2.95Å; G15-A18 PolarHBondContact O-N 2.72Å; G15-S19 WeakPolarHBondContact O-CB 3.31Å; G15-S19 PolarHBondContact O-N 2.99Å
16G98.8Very high98.8Very high0 Ų018.6 Ų18.60%010%0.099CC..Hα-helixtrans-65-47.5-177.900000113.1G11 G13 A18 S19 I20G11-G16 WeakPolarHBondContact O-CA 3.41Å; G13-G16 PolarHBondContact O-N 2.95Å; G16-A18 VanDerWaalsContact C-N 3.31Å; G16-A18 PolarHBondContact O-N 3.15Å; G16-S19 PolarHBondContact O-N 3.05Å; G16-I20 WeakPolarHBondContact O-CB 3.35Å; G16-I20 WeakPolarHBondContact O-CG2 3.29Å; G16-I20 PolarHBondContact O-N 3.04Å
17I98.9Very high98.8Very high8 Ų819.3 Ų19.34%0.04112%0.119CC..Hα-helixtrans-59.8-42.5176.1-71.7-179.6000111.1G12 G13 N21 L32 L38 Y99G12-I17 WeakPolarHBondContact O-CD1 3.31Å; G12-I17 WeakPolarHBondContact O-CG1 3.4Å; G13-I17 WeakPolarHBondContact O-CB 3.43Å; G13-I17 WeakPolarHBondContact O-CG1 3.48Å; G13-I17 PolarHBondContact O-N 2.76Å; I17-N21 WeakPolarHBondContact CG2-ND2 3.1Å; I17-N21 WeakPolarHBondContact O-CB 3.42Å; I17-N21 PolarHBondContact O-N 3.18Å; I17-N21 PolarHBondContact O-ND2 2.9Å; I17-L32 HydrophobicContact CG1-CD2 3.94Å; I17-L38 HydrophobicContact CD1-CB 4.42Å; I17-L38 HydrophobicContact CD1-CD2 4.34Å; I17-Y99 HydrophobicContact CD1-CD1 4.04Å; I17-Y99 HydrophobicContact CD1-CD2 3.94Å; I17-Y99 HydrophobicContact CD1-CE1 4.25Å; I17-Y99 HydrophobicContact CD1-CE2 4.13Å; I17-Y99 HydrophobicContact CD1-CG 3.89Å; I17-Y99 HydrophobicContact CG2-CD1 3.76Å; I17-Y99 HydrophobicContact CG2-CE1 3.76Å
18A98.8Very high98.8Very high11 Ų1121.8 Ų21.89%0.09113%0.13CC..Hα-helixtrans-68.5-40.7-177.700000112.5S14 G15 G16 R22 V315 R319S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 3.31Å; G15-A18 PolarHBondContact O-N 2.72Å; G16-A18 VanDerWaalsContact C-N 3.31Å; G16-A18 PolarHBondContact O-N 3.15Å; A18-R22 WeakPolarHBondContact O-CB 3.36Å; A18-R22 PolarHBondContact O-N 3.13Å; A18-V315 HydrophobicContact CB-CB 4.12Å; A18-V315 HydrophobicContact CB-CG1 3.91Å; A18-V315 HydrophobicContact CB-CG2 4.15Å; A18-R319 HydrophobicContact CB-CG 4.18Å
19S98.9Very high98.8Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-70.4-48.2178.1-168.20000111.8Y7 G15 G16 N21 R22 A23 G318 S322Y7-S19 WeakPolarHBondContact CE1-OG 3.03Å; Y7-S19 PolarHBondContact OH-OG 2.93Å; G15-S19 WeakPolarHBondContact O-CB 3.31Å; G15-S19 PolarHBondContact O-N 2.99Å; G16-S19 PolarHBondContact O-N 3.05Å; S19-N21 PolarHBondContact O-N 3.08Å; S19-R22 PolarHBondContact O-N 2.69Å; S19-R22 VanDerWaalsContact O-N 3.17Å; S19-A23 PolarHBondContact O-N 2.83Å; S19-G318 WeakPolarHBondContact CA-O 3.38Å; S19-G318 VanDerWaalsContact CB-O 3.28Å; S19-G318 WeakPolarHBondContact CB-O 3.28Å; S19-G318 PolarHBondContact OG-O 3.12Å; S19-G318 VanDerWaalsContact OG-O 3.04Å; S19-S322 WeakPolarHBondContact CA-OG 3.44Å; S19-S322 PolarHBondContact O-OG 3.49Å; S19-S322 PolarHBondContact OG-OG 3.43Å
20I98.9Very high98.8Very high0 Ų026.8 Ų26.80%015%0.152CC..Hα-helixtrans-66.2-39.9-174.4-153.764.7000112.1Y7 A9 G16 R22 A23 A24 C30 L32 L103 V108Y7-I20 HydrophobicContact CD1-CD1 3.57Å; Y7-I20 HydrophobicContact CE1-CD1 4.09Å; Y7-I20 HydrophobicContact CG-CD1 4.22Å; A9-I20 HydrophobicContact CB-CB 4.5Å; A9-I20 HydrophobicContact CB-CD1 4.23Å; G16-I20 WeakPolarHBondContact O-CB 3.35Å; G16-I20 WeakPolarHBondContact O-CG2 3.29Å; G16-I20 PolarHBondContact O-N 3.04Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.44Å; I20-A23 PolarHBondContact O-N 2.99Å; I20-A24 WeakPolarHBondContact O-CB 3.49Å; I20-A24 PolarHBondContact O-N 2.71Å; I20-C30 HydrophobicContact CD1-CB 3.49Å; I20-C30 VanDerWaalsContact CD1-CB 3.49Å; I20-C30 HydrophobicContact CG1-CB 3.69Å; I20-L32 HydrophobicContact CG1-CB 4.44Å; I20-L32 HydrophobicContact CG2-CB 4.38Å; I20-L32 HydrophobicContact CG2-CD1 4.28Å; I20-L32 HydrophobicContact CG2-CD2 4.31Å; I20-L103 HydrophobicContact CG2-CD2 3.7Å; I20-V108 HydrophobicContact CG1-CG1 3.72Å; I20-V108 HydrophobicContact CG1-CG2 4.35Å; I20-V108 HydrophobicContact CG2-CG1 4.18Å
21N98.8Very high98.8Very high17 Ų1726.3 Ų26.39%0.09115%0.15CC..Hα-helixtrans-63.8-41.5174.8-82.5-60.5000111.6I17 S19 A24 M25 L103 N106I17-N21 WeakPolarHBondContact CG2-ND2 3.1Å; I17-N21 WeakPolarHBondContact O-CB 3.42Å; I17-N21 PolarHBondContact O-N 3.18Å; I17-N21 PolarHBondContact O-ND2 2.9Å; S19-N21 PolarHBondContact O-N 3.08Å; N21-A24 PolarHBondContact O-N 2.94Å; N21-M25 VanDerWaalsContact O-CG 3.29Å; N21-M25 WeakPolarHBondContact O-CG 3.43Å; N21-M25 PolarHBondContact O-N 3.12Å; N21-M25 VanDerWaalsContact O-N 3.09Å; N21-L103 WeakPolarHBondContact ND2-CD2 3.42Å; N21-N106 PolarHBondContact OD1-ND2 3.37Å
22R98.8Very high98.8Very high49 Ų4926 Ų2619%0.18515%0.146CC..Hα-helixtrans-66.5-40.4179.1-178.459.960.577.94111.6A18 S19 I20 M25 Y26 R319 E323A18-R22 WeakPolarHBondContact O-CB 3.36Å; A18-R22 PolarHBondContact O-N 3.13Å; S19-R22 PolarHBondContact O-N 2.69Å; S19-R22 VanDerWaalsContact O-N 3.17Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 3.44Å; R22-M25 PolarHBondContact O-N 3.5Å; R22-Y26 VanDerWaalsContact CD-CE2 3.49Å; R22-Y26 HydrophobicContact CG-CD2 4.49Å; R22-Y26 HydrophobicContact CG-CE2 3.77Å; R22-Y26 WeakPolarHBondContact O-CD2 3.36Å; R22-Y26 WeakPolarHBondContact O-CE2 3.5Å; R22-R319 HydrophobicContact CB-CG 4.45Å; R22-E323 HydrophobicContact CG-CG 4.44Å; R22-E323 IonicContact CZ-OE1 3.58Å; R22-E323 IonicContact NE-OE1 3.53Å; R22-E323 IonicContact NH1-OE1 3.54Å; R22-E323 PolarHBondContact NH1-OE1 2.93Å
23A98.9Very high98.8Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-63.2-46.4175.300000111.7Y7 S19 I20 M25 Y26 Q28 F326Y7-A23 HydrophobicContact CD1-CB 3.58Å; Y7-A23 HydrophobicContact CE1-CB 4.03Å; S19-A23 PolarHBondContact O-N 2.83Å; I20-A23 PolarHBondContact O-N 2.99Å; A23-M25 VanDerWaalsContact C-N 3.27Å; A23-M25 PolarHBondContact O-N 3.3Å; A23-Y26 CarbonylContact O-C 3.56Å; A23-Y26 WeakPolarHBondContact O-CA 3.29Å; A23-Y26 PolarHBondContact O-N 2.96Å; A23-Q28 HydrophobicContact CB-CB 4.38Å; A23-Q28 HydrophobicContact CB-CG 4.32Å; A23-Q28 WeakPolarHBondContact O-CG 3.46Å; A23-F326 HydrophobicContact CB-CD2 3.48Å; A23-F326 VanDerWaalsContact CB-CD2 3.48Å; A23-F326 HydrophobicContact CB-CE2 3.57Å; A23-F326 HydrophobicContact CB-CG 4.48Å
24A98.8Very high98.8Very high13 Ų1326.6 Ų26.611%0.10715%0.146CC..Hα-helixtrans-61.4-33.6178.400000113.1I20 N21 Y26 G27 N106 V108I20-A24 WeakPolarHBondContact O-CB 3.49Å; I20-A24 PolarHBondContact O-N 2.71Å; N21-A24 PolarHBondContact O-N 2.94Å; A24-Y26 PolarHBondContact O-N 3.16Å; A24-G27 PolarHBondContact O-N 3.21Å; A24-N106 HydrophobicContact CB-CB 3.86Å; A24-N106 WeakPolarHBondContact CB-O 3.44Å; A24-V108 HydrophobicContact CB-CG2 3.72Å
25M98.6Very high98.8Very high121 Ų12127.9 Ų27.960%0.59616%0.158SC*.THydrogen-bonded Turntrans-61.2-20.7171.7-71.7171.565.400113.6N21 R22 A23N21-M25 VanDerWaalsContact O-CG 3.29Å; N21-M25 WeakPolarHBondContact O-CG 3.43Å; N21-M25 PolarHBondContact O-N 3.12Å; N21-M25 VanDerWaalsContact O-N 3.09Å; R22-M25 PolarHBondContact O-N 3.5Å; A23-M25 VanDerWaalsContact C-N 3.27Å; A23-M25 PolarHBondContact O-N 3.3Å
26Y98.7Very high98.8Very high66 Ų6634.8 Ų34.826%0.25919%0.187SC..THydrogen-bonded Turntrans-99.721.1174-57.3-54.6000112.9R22 A23 A24 Q28 E323 F326 N327R22-Y26 VanDerWaalsContact CD-CE2 3.49Å; R22-Y26 HydrophobicContact CG-CD2 4.49Å; R22-Y26 HydrophobicContact CG-CE2 3.77Å; R22-Y26 WeakPolarHBondContact O-CD2 3.36Å; R22-Y26 WeakPolarHBondContact O-CE2 3.5Å; A23-Y26 CarbonylContact O-C 3.56Å; A23-Y26 WeakPolarHBondContact O-CA 3.29Å; A23-Y26 PolarHBondContact O-N 2.96Å; A24-Y26 PolarHBondContact O-N 3.16Å; Y26-Q28 VanDerWaalsContact C-N 3.35Å; Y26-Q28 PolarHBondContact O-N 2.92Å; Y26-Q28 PolarHBondContact O-NE2 3.45Å; Y26-Q28 VanDerWaalsContact O-NE2 3.13Å; Y26-E323 PolarHBondContact OH-OE1 3.36Å; Y26-E323 PolarHBondContact OH-OE2 3.17Å; Y26-E323 VanDerWaalsContact OH-OE2 3.08Å; Y26-F326 HydrophobicContact CD2-CB 4.16Å; Y26-F326 HydrophobicContact CG-CB 4.5Å; Y26-N327 HydrophobicContact CD1-CB 4.07Å; Y26-N327 HydrophobicContact CD2-CB 3.9Å; Y26-N327 HydrophobicContact CE1-CB 3.83Å; Y26-N327 WeakPolarHBondContact CE1-ND2 3.47Å; Y26-N327 HydrophobicContact CE2-CB 3.63Å; Y26-N327 HydrophobicContact CG-CB 4.13Å; Y26-N327 VanDerWaalsContact CZ-ND2 3.34Å; Y26-N327 PolarHBondContact OH-ND2 2.92Å; Y26-N327 VanDerWaalsContact OH-ND2 3.17Å
27G98.5Very high98.8Very high67 Ų6738.8 Ų38.869%0.69121%0.206SC*.THydrogen-bonded Turntrans80.69171.400000115.5A24A24-G27 PolarHBondContact O-N 3.21Å
28Q98.8Very high98.7Very high51 Ų5139 Ų3924%0.23821%0.207CC..  trans-74.3136.4179.3-53.2-53.3-70.200111.1D6 A23 Y26 C30 F326D6-Q28 HydrophobicContact CB-CB 4.25Å; A23-Q28 HydrophobicContact CB-CB 4.38Å; A23-Q28 HydrophobicContact CB-CG 4.32Å; A23-Q28 WeakPolarHBondContact O-CG 3.46Å; Y26-Q28 VanDerWaalsContact C-N 3.35Å; Y26-Q28 PolarHBondContact O-N 2.92Å; Y26-Q28 PolarHBondContact O-NE2 3.45Å; Y26-Q28 VanDerWaalsContact O-NE2 3.13Å; Q28-C30 PolarHBondContact O-N 3.34Å; Q28-C30 PolarHBondContact O-SG 3.33Å; Q28-F326 VanDerWaalsContact CD-CD1 3.49Å; Q28-F326 HydrophobicContact CG-CB 3.85Å; Q28-F326 HydrophobicContact CG-CD1 3.61Å; Q28-F326 HydrophobicContact CG-CD2 4.03Å; Q28-F326 HydrophobicContact CG-CE1 4.13Å; Q28-F326 HydrophobicContact CG-CG 3.54Å
29K98.8Very high98.7Very high104 Ų10438.6 Ų38.645%0.45220%0.203SC..  trans-74.4109168.7-169.1-171.5175.2-167.20109.2H4 Y5 D6 Y7H4-K29 PolarHBondContact O-NZ 3.23Å; Y5-K29 HydrophobicContact CD1-CD 4.21Å; Y5-K29 HydrophobicContact CD1-CG 3.87Å; Y5-K29 HydrophobicContact CE1-CG 4.28Å; D6-K29 PolarHBondContact N-O 3.17Å; D6-K29 VanDerWaalsContact OD2-CB 3.29Å; D6-K29 WeakPolarHBondContact OD2-CB 3.46Å; D6-K29 PolarHBondContact OD2-N 3.3Å; Y7-K29 PolarHBondContact N-O 3.44Å
30C98.9Very high98.7Very high1 Ų139.3 Ų39.31%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-115.8143.4-167.6-710000112.7Y7 I20 Q28 V108 D109Y7-C30 VanDerWaalsContact O-CA 3.32Å; Y7-C30 WeakPolarHBondContact O-CA 3.46Å; I20-C30 HydrophobicContact CD1-CB 3.49Å; I20-C30 VanDerWaalsContact CD1-CB 3.49Å; I20-C30 HydrophobicContact CG1-CB 3.69Å; Q28-C30 PolarHBondContact O-N 3.34Å; Q28-C30 PolarHBondContact O-SG 3.33Å; C30-V108 HydrophobicContact CB-CG1 4.26Å; C30-V108 HydrophobicContact CB-CG2 4.14Å; C30-D109 PolarHBondContact O-N 2.97Å
31A98.9Very high98.7Very high0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-123.9143.916300000112.3Y5 Y7 I8 A9 D109Y5-A31 HydrophobicContact CD1-CB 3.83Å; Y5-A31 HydrophobicContact CD2-CB 4.09Å; Y5-A31 HydrophobicContact CE1-CB 3.69Å; Y5-A31 HydrophobicContact CE2-CB 3.94Å; Y5-A31 HydrophobicContact CG-CB 4.05Å; Y7-A31 PolarHBondContact O-N 2.72Å; I8-A31 WeakPolarHBondContact CA-O 2.88Å; I8-A31 HydrophobicContact CG1-CB 4.16Å; A9-A31 PolarHBondContact N-O 3.23Å; A31-D109 CarbonylContact C-O 3.54Å; A31-D109 VanDerWaalsContact CA-O 3.23Å; A31-D109 WeakPolarHBondContact CA-O 3.37Å; A31-D109 HydrophobicContact CB-CB 4.28Å
32L98.9Very high98.6Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-119.4125.3174-177.968000109.3A9 I17 I20 L38 L103 V108 D109 V110 I111A9-L32 HydrophobicContact CB-CD1 3.71Å; I17-L32 HydrophobicContact CG1-CD2 3.94Å; I20-L32 HydrophobicContact CG1-CB 4.44Å; I20-L32 HydrophobicContact CG2-CB 4.38Å; I20-L32 HydrophobicContact CG2-CD1 4.28Å; I20-L32 HydrophobicContact CG2-CD2 4.31Å; L32-L38 HydrophobicContact CD2-CD2 3.91Å; L32-L103 HydrophobicContact CD2-CD1 3.97Å; L32-L103 HydrophobicContact CD2-CD2 4.2Å; L32-V108 HydrophobicContact CB-CG1 4.02Å; L32-D109 PolarHBondContact N-O 2.65Å; L32-V110 WeakPolarHBondContact O-CA 3.39Å; L32-I111 PolarHBondContact O-N 3.12Å
33I98.9Very high98.6Very high2 Ų239.3 Ų39.31%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-109.6121.6179.5-50.2166.9000109I8 A9 G11 I111 G113 A115 L123 V125 I130I8-I33 HydrophobicContact CG2-CD1 3.82Å; I8-I33 HydrophobicContact CG2-CG1 4.34Å; A9-I33 PolarHBondContact O-N 3.43Å; G11-I33 WeakPolarHBondContact CA-O 3.25Å; G11-I33 PolarHBondContact N-O 2.95Å; I33-I111 WeakPolarHBondContact CA-O 3.38Å; I33-I111 HydrophobicContact CG1-CB 4.4Å; I33-G113 VanDerWaalsContact CG2-O 3.27Å; I33-G113 WeakPolarHBondContact CG2-O 3.48Å; I33-A115 HydrophobicContact CB-CB 4.43Å; I33-A115 HydrophobicContact CD1-CB 3.75Å; I33-A115 HydrophobicContact CG2-CB 3.94Å; I33-L123 HydrophobicContact CD1-CD1 3.97Å; I33-V125 HydrophobicContact CD1-CG1 4.47Å; I33-V125 HydrophobicContact CG2-CG2 3.93Å; I33-I130 HydrophobicContact CD1-CD1 3.61Å; I33-I130 HydrophobicContact CG1-CD1 4.43Å
34E98.8Very high98.6Very high23 Ų2341 Ų4111%0.10723%0.226CC..EExtended strand (participates in β ladder)trans-129.3125.7179175.547.7-127.700110.3G12 K36 L38 I111 K112 G113G12-E34 VanDerWaalsContact CA-OE2 3.25Å; G12-E34 WeakPolarHBondContact CA-OE2 3.3Å; G12-E34 PolarHBondContact N-OE2 2.78Å; E34-K36 WeakPolarHBondContact OE1-CA 3.47Å; E34-K36 WeakPolarHBondContact OE1-CB 3.32Å; E34-K36 PolarHBondContact OE1-N 2.8Å; E34-L38 HydrophobicContact CB-CD2 4.37Å; E34-I111 PolarHBondContact N-O 2.89Å; E34-K112 CarbonylContact O-C 3.55Å; E34-K112 VanDerWaalsContact O-CA 3.29Å; E34-K112 WeakPolarHBondContact O-CA 3.49Å; E34-G113 CarbonylContact C-O 3.5Å; E34-G113 PolarHBondContact O-N 3.11Å
35A98.6Very high98.6Very high48 Ų4842.1 Ų42.140%0.39723%0.232SC..SBendtrans-80.7-26.7-175.900000113.2G113 F114A35-G113 VanDerWaalsContact CA-O 3.28Å; A35-G113 WeakPolarHBondContact CA-O 3.49Å; A35-G113 PolarHBondContact N-O 3.3Å; A35-F114 HydrophobicContact CB-CB 4.1Å; A35-F114 HydrophobicContact CB-CD2 3.81Å; A35-F114 HydrophobicContact CB-CG 4.43Å
36K98.3Very high98.6Very high149 Ų14937.1 Ų37.165%0.64821%0.211SC*.SBendtrans-119-109.5-176.7-60.1-176.7-179.2-177.60110E34 K112E34-K36 WeakPolarHBondContact OE1-CA 3.47Å; E34-K36 WeakPolarHBondContact OE1-CB 3.32Å; E34-K36 PolarHBondContact OE1-N 2.8Å; K36-K112 WeakPolarHBondContact O-CE 3.45Å; K36-K112 PolarHBondContact O-NZ 2.81Å
37E98.4Very high98.6Very high85 Ų8536.5 Ų36.540%0.39722%0.216SC..  trans-122.4142.9-174.5-58.2-51.8146.200110.9G40 K112E37-G40 PolarHBondContact O-N 2.98Å; E37-K112 VanDerWaalsContact CD-NZ 3.31Å; E37-K112 IonicContact OE1-NZ 3.79Å; E37-K112 PolarHBondContact OE1-NZ 2.99Å; E37-K112 IonicContact OE2-NZ 3.98Å; E37-K112 PolarHBondContact OE2-NZ 3.29Å
38L98.5Very high98.6Very high13 Ų1334.6 Ų34.67%0.06819%0.191CC..THydrogen-bonded Turntrans-56.8147.9177.8-71.2175.8000111.3I17 L32 E34 G40 N44 H96 E100 L103 V110I17-L38 HydrophobicContact CD1-CB 4.42Å; I17-L38 HydrophobicContact CD1-CD2 4.34Å; L32-L38 HydrophobicContact CD2-CD2 3.91Å; E34-L38 HydrophobicContact CB-CD2 4.37Å; L38-G40 VanDerWaalsContact C-N 3.3Å; L38-N44 PolarHBondContact O-ND2 2.91Å; L38-H96 PolarHBondContact O-CD2 3.11Å; L38-H96 PolarHBondContact O-NE2 3.11Å; L38-E100 HydrophobicContact CD1-CG 3.74Å; L38-L103 HydrophobicContact CD1-CD1 4.04Å; L38-L103 HydrophobicContact CD2-CD1 4.17Å; L38-V110 HydrophobicContact CD2-CG1 4.3Å
39G98.3Very high98.5Very high1 Ų132.2 Ų32.21%0.0118%0.18CC..THydrogen-bonded Turntrans89.3-12-176.600000114.1G12G12-G39 WeakPolarHBondContact O-CA 3.4Å; G12-G39 PolarHBondContact O-N 3.33Å
40G98.5Very high98.5Very high16 Ų1628.4 Ų28.417%0.16516%0.163CC..Hα-helixtrans56.5-149.5174.200000113.5G12 E37 L38 C42 V43 N44G12-G40 PolarHBondContact O-N 2.97Å; E37-G40 PolarHBondContact O-N 2.98Å; L38-G40 VanDerWaalsContact C-N 3.3Å; G40-C42 PolarHBondContact O-N 3.05Å; G40-V43 PolarHBondContact O-N 3.04Å; G40-N44 PolarHBondContact N-ND2 3.48Å; G40-N44 WeakPolarHBondContact O-CB 3.47Å; G40-N44 PolarHBondContact O-N 2.97Å; G40-N44 PolarHBondContact O-ND2 3.25Å
41T98.6Very high98.5Very high46 Ų4630.4 Ų30.428%0.28217%0.172SC..Hα-helixtrans-54-49.5-176.2-54.90000112.7V43 N44 V45 G46T41-V43 VanDerWaalsContact C-N 3.31Å; T41-V43 PolarHBondContact O-N 3.24Å; T41-N44 PolarHBondContact O-N 3.43Å; T41-V45 HydrophobicContact CG2-CG2 4.14Å; T41-V45 CarbonylContact O-C 3.59Å; T41-V45 PolarHBondContact O-N 3.44Å; T41-G46 WeakPolarHBondContact O-CA 3.23Å; T41-G46 PolarHBondContact O-N 3.46Å
42C98.2Very high98.5Very high14 Ų1432 Ų3210%0.09518%0.182CC..Hα-helixtrans-60.7-38.7-171.2-176.30000113.8G40 G46 C47 V48 T311G40-C42 PolarHBondContact O-N 3.05Å; C42-G46 CarbonylContact O-C 3.51Å; C42-C47 VanDerWaalsContact CA-SG 3.52Å; C42-C47 HydrophobicContact CB-CB 4.31Å; C42-C47 WeakPolarHBondContact CB-SG 3.38Å; C42-C47 PolarHBondContact O-N 3.16Å; C42-C47 WeakPolarHBondContact SG-CB 3.38Å; C42-C47 CovalentContact SG-SG 2.06Å; C42-C47 PolarHBondContact SG-SG 2.96Å; C42-V48 PolarHBondContact O-N 3.44Å; C42-T311 HydrophobicContact CB-CG2 4.48Å; C42-T311 WeakPolarHBondContact CB-OG1 3.36Å; C42-T311 PolarHBondContact SG-OG1 2.86Å
43V98.5Very high98.5Very high5 Ų532 Ų323%0.0318%0.182CC..Hα-helixtrans-84.9-37.2-175.4172.10000111.3G40 T41 V48 P49 I92 I95 Y99G40-V43 PolarHBondContact O-N 3.04Å; T41-V43 VanDerWaalsContact C-N 3.31Å; T41-V43 PolarHBondContact O-N 3.24Å; V43-V48 HydrophobicContact CG2-CG2 4.44Å; V43-P49 WeakPolarHBondContact O-CD 3.13Å; V43-I92 HydrophobicContact CG1-CG2 4.1Å; V43-I92 WeakPolarHBondContact O-CG1 3.5Å; V43-I95 HydrophobicContact CG1-CB 4.13Å; V43-I95 HydrophobicContact CG1-CD1 4.44Å; V43-I95 HydrophobicContact CG1-CG2 3.66Å; V43-I95 HydrophobicContact CG2-CG2 4.09Å; V43-Y99 HydrophobicContact CG2-CE2 4.02Å
44N98.7Very high98.5Very high35 Ų3532.6 Ų32.619%0.18718%0.184CC..Hα-helixtrans-96.5-40.4-169.7-62.4-70.6000113.6L38 G40 T41 H96L38-N44 PolarHBondContact O-ND2 2.91Å; G40-N44 PolarHBondContact N-ND2 3.48Å; G40-N44 WeakPolarHBondContact O-CB 3.47Å; G40-N44 PolarHBondContact O-N 2.97Å; G40-N44 PolarHBondContact O-ND2 3.25Å; T41-N44 PolarHBondContact O-N 3.43Å; N44-H96 PolarHBondContact OD1-CE1 3.12Å; N44-H96 VanDerWaalsContact OD1-CE1 3.29Å; N44-H96 PolarHBondContact OD1-NE2 2.83Å
45V98.4Very high98.5Very high37 Ų3736 Ų3622%0.22420%0.2CC..SBendtrans-142.935.9-171.1-67.10000111.7T41 D158 F161T41-V45 HydrophobicContact CG2-CG2 4.14Å; T41-V45 CarbonylContact O-C 3.59Å; T41-V45 PolarHBondContact O-N 3.44Å; V45-D158 HydrophobicContact CG1-CB 4.31Å; V45-F161 HydrophobicContact CB-CD2 3.91Å; V45-F161 HydrophobicContact CB-CE2 4.45Å; V45-F161 HydrophobicContact CG1-CD2 4.35Å; V45-F161 VanDerWaalsContact O-CE2 3.24Å; V45-F161 WeakPolarHBondContact O-CE2 3.38Å
46G98.4Very high98.5Very high16 Ų1634.5 Ų34.517%0.16519%0.187CC..SBendtrans-154.4-129.5-170.500000112.7T41 C42 V48 P49 K50T41-G46 WeakPolarHBondContact O-CA 3.23Å; T41-G46 PolarHBondContact O-N 3.46Å; C42-G46 CarbonylContact O-C 3.51Å; G46-V48 VanDerWaalsContact C-N 3.35Å; G46-V48 PolarHBondContact O-N 3.01Å; G46-P49 VanDerWaalsContact O-CD 3.3Å; G46-P49 WeakPolarHBondContact O-CD 3.33Å; G46-P49 WeakPolarHBondContact O-CG 3.5Å; G46-K50 WeakPolarHBondContact O-CB 3.48Å; G46-K50 PolarHBondContact O-N 3.37Å
47C98Very high98.6Very high54 Ų5427.4 Ų27.437%0.36516%0.156SC..Hα-helixtrans-47.5-50.7-169.8-24.30000114.4C42 K51 T311C42-C47 VanDerWaalsContact CA-SG 3.52Å; C42-C47 HydrophobicContact CB-CB 4.31Å; C42-C47 WeakPolarHBondContact CB-SG 3.38Å; C42-C47 PolarHBondContact O-N 3.16Å; C42-C47 WeakPolarHBondContact SG-CB 3.38Å; C42-C47 CovalentContact SG-SG 2.06Å; C42-C47 PolarHBondContact SG-SG 2.96Å; C47-K51 WeakPolarHBondContact O-CB 3.17Å; C47-K51 PolarHBondContact O-N 3.42Å; C47-T311 PolarHBondContact SG-OG1 3.46Å
48V98.5Very high98.6Very high27 Ų2725.2 Ų25.216%0.16415%0.146CC..Hα-helixtrans-66.3-61.1-173.5173.80000111.3C42 V43 G46 K50 K51 V52 Y91 I92 I95C42-V48 PolarHBondContact O-N 3.44Å; V43-V48 HydrophobicContact CG2-CG2 4.44Å; G46-V48 VanDerWaalsContact C-N 3.35Å; G46-V48 PolarHBondContact O-N 3.01Å; V48-K50 VanDerWaalsContact C-N 3.27Å; V48-K50 PolarHBondContact O-N 3.11Å; V48-K51 PolarHBondContact O-N 2.62Å; V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.43Å; V48-V52 VanDerWaalsContact O-N 3.13Å; V48-Y91 HydrophobicContact CG1-CD1 3.86Å; V48-Y91 HydrophobicContact CG1-CE1 3.74Å; V48-I92 HydrophobicContact CG1-CG1 4.11Å; V48-I95 HydrophobicContact CG1-CD1 3.82Å; V48-I95 HydrophobicContact CG2-CD1 4.1Å
49P98.6Very high98.6Very high0 Ų029.7 Ų29.70%017%0.169CC..Hα-helixtrans-62.4-36178.425.3-35.3000111.5V43 G46 K51 V52 M53 R88 I92 F161V43-P49 WeakPolarHBondContact O-CD 3.13Å; G46-P49 VanDerWaalsContact O-CD 3.3Å; G46-P49 WeakPolarHBondContact O-CD 3.33Å; G46-P49 WeakPolarHBondContact O-CG 3.5Å; P49-K51 PolarHBondContact O-N 2.83Å; P49-V52 PolarHBondContact O-N 2.79Å; P49-M53 VanDerWaalsContact O-CG 3.26Å; P49-M53 WeakPolarHBondContact O-CG 3.39Å; P49-M53 PolarHBondContact O-N 3.32Å; P49-R88 HydrophobicContact CB-CG 4.16Å; P49-I92 HydrophobicContact CB-CD1 4.14Å; P49-I92 HydrophobicContact CG-CD1 4.39Å; P49-F161 HydrophobicContact CB-CD1 3.64Å; P49-F161 HydrophobicContact CB-CE1 3.6Å; P49-F161 HydrophobicContact CB-CG 4.34Å; P49-F161 HydrophobicContact CB-CZ 4.27Å; P49-F161 HydrophobicContact CG-CD1 4.02Å; P49-F161 HydrophobicContact CG-CD2 4.49Å; P49-F161 HydrophobicContact CG-CE1 3.84Å; P49-F161 HydrophobicContact CG-CE2 4.34Å; P49-F161 HydrophobicContact CG-CG 4.35Å; P49-F161 HydrophobicContact CG-CZ 4.01Å
50K98.7Very high98.6Very high24 Ų2432.6 Ų32.610%0.10418%0.179CC..Hα-helixtrans-56.8-50.6174.8-174.3-80.5-55.9-76.50111.7G46 V48 V52 M53 W54 F161 E181 F344G46-K50 WeakPolarHBondContact O-CB 3.48Å; G46-K50 PolarHBondContact O-N 3.37Å; V48-K50 VanDerWaalsContact C-N 3.27Å; V48-K50 PolarHBondContact O-N 3.11Å; K50-V52 VanDerWaalsContact C-N 3.33Å; K50-V52 PolarHBondContact O-N 3.34Å; K50-M53 PolarHBondContact O-N 2.87Å; K50-W54 WeakPolarHBondContact O-CB 3.37Å; K50-W54 PolarHBondContact O-N 2.78Å; K50-F161 HydrophobicContact CB-CE1 4.48Å; K50-F161 HydrophobicContact CB-CZ 4.04Å; K50-E181 HydrophobicContact CD-CB 4.48Å; K50-E181 WeakPolarHBondContact CD-OE2 3.09Å; K50-E181 IonicContact NZ-OE1 3.5Å; K50-E181 PolarHBondContact NZ-OE1 3.28Å; K50-E181 IonicContact NZ-OE2 2.58Å; K50-E181 PolarHBondContact NZ-OE2 2.92Å; K50-F344 HydrophobicContact CD-CB 4.04Å; K50-F344 HydrophobicContact CD-CD2 4.38Å; K50-F344 HydrophobicContact CD-CG 4.42Å; K50-F344 VanDerWaalsContact CE-CD2 3.44Å
51K98.7Very high98.6Very high43 Ų4332.3 Ų32.319%0.18717%0.173CC..Hα-helixtrans-65.2-36-179.2-173.570.6-172.5-104.60111.7C47 V48 P49 W54 H55 F344 D413C47-K51 WeakPolarHBondContact O-CB 3.17Å; C47-K51 PolarHBondContact O-N 3.42Å; V48-K51 PolarHBondContact O-N 2.62Å; P49-K51 PolarHBondContact O-N 2.83Å; K51-W54 HydrophobicContact CD-CE3 3.91Å; K51-W54 HydrophobicContact CD-CZ3 4.48Å; K51-W54 PolarHBondContact O-N 2.77Å; K51-H55 WeakPolarHBondContact CE-NE2 3.4Å; K51-H55 PolarHBondContact O-N 2.8Å; K51-F344 HydrophobicContact CD-CD1 3.8Å; K51-F344 HydrophobicContact CD-CE1 3.49Å; K51-F344 VanDerWaalsContact CD-CE1 3.49Å; K51-F344 HydrophobicContact CD-CG 4.48Å; K51-F344 HydrophobicContact CD-CZ 3.89Å; K51-F344 VanDerWaalsContact NZ-CE1 3.32Å; K51-D413 IonicContact NZ-OD2 2.73Å
52V98.8Very high98.6Very high34 Ų3431.8 Ų31.821%0.20617%0.174CC..Hα-helixtrans-62.4-45.5173.51750000111.1V48 P49 K50 W54 H55 A56 L84 R88 Y91V48-V52 WeakPolarHBondContact O-CG2 3.46Å; V48-V52 PolarHBondContact O-N 3.43Å; V48-V52 VanDerWaalsContact O-N 3.13Å; P49-V52 PolarHBondContact O-N 2.79Å; K50-V52 VanDerWaalsContact C-N 3.33Å; K50-V52 PolarHBondContact O-N 3.34Å; V52-W54 VanDerWaalsContact C-N 3.33Å; V52-H55 PolarHBondContact O-N 3.27Å; V52-A56 PolarHBondContact O-N 2.95Å; V52-A56 VanDerWaalsContact O-N 3.12Å; V52-L84 HydrophobicContact CG1-CD1 4.26Å; V52-R88 HydrophobicContact CB-CG 4.08Å; V52-R88 HydrophobicContact CG1-CB 3.94Å; V52-R88 HydrophobicContact CG1-CG 3.89Å; V52-R88 HydrophobicContact CG2-CG 4.42Å; V52-Y91 HydrophobicContact CG2-CD1 4.28Å
53M98.9Very high98.7Very high1 Ų133.9 Ų33.91%0.00518%0.184CC..Hα-helixtrans-66.8-35.8176.8-60.1-54.3-67.300112P49 K50 A56 A57 W81 L84 I85 F160 F161 V185 L189P49-M53 VanDerWaalsContact O-CG 3.26Å; P49-M53 WeakPolarHBondContact O-CG 3.39Å; P49-M53 PolarHBondContact O-N 3.32Å; K50-M53 PolarHBondContact O-N 2.87Å; M53-A56 WeakPolarHBondContact O-CB 3.47Å; M53-A56 PolarHBondContact O-N 3.44Å; M53-A57 PolarHBondContact O-N 3.38Å; M53-W81 HydrophobicContact CE-CE3 4.49Å; M53-W81 HydrophobicContact CE-CH2 3.34Å; M53-W81 HydrophobicContact CE-CZ2 4.04Å; M53-W81 HydrophobicContact CE-CZ3 3.62Å; M53-L84 HydrophobicContact CE-CD2 3.56Å; M53-L84 HydrophobicContact CE-CG 4.35Å; M53-L84 HydrophobicContact SD-CD1 4.42Å; M53-L84 HydrophobicContact SD-CD2 3.81Å; M53-L84 HydrophobicContact SD-CG 4.01Å; M53-I85 HydrophobicContact SD-CD1 4.41Å; M53-F160 HydrophobicContact CG-CE1 4.36Å; M53-F161 HydrophobicContact CG-CE1 4.49Å; M53-V185 HydrophobicContact CB-CG1 3.8Å; M53-L189 HydrophobicContact CE-CD1 3.92Å
54W98.9Very high98.7Very high14 Ų1439.3 Ų39.35%0.05321%0.208CC..Hα-helixtrans-63-43.7173.9-17582.6000111.9K50 K51 V52 A56 A57 Q58 V185 F344 S345 H346 P348K50-W54 WeakPolarHBondContact O-CB 3.37Å; K50-W54 PolarHBondContact O-N 2.78Å; K51-W54 HydrophobicContact CD-CE3 3.91Å; K51-W54 HydrophobicContact CD-CZ3 4.48Å; K51-W54 PolarHBondContact O-N 2.77Å; V52-W54 VanDerWaalsContact C-N 3.33Å; W54-A56 VanDerWaalsContact C-N 3.29Å; W54-A56 PolarHBondContact O-N 3.39Å; W54-A57 WeakPolarHBondContact O-CB 3.4Å; W54-A57 PolarHBondContact O-N 3.45Å; W54-Q58 HydrophobicContact CD2-CG 4.02Å; W54-Q58 HydrophobicContact CE3-CG 4.08Å; W54-Q58 HydrophobicContact CH2-CG 3.85Å; W54-Q58 HydrophobicContact CZ2-CG 3.75Å; W54-Q58 HydrophobicContact CZ3-CG 4.01Å; W54-Q58 WeakPolarHBondContact O-CG 3.47Å; W54-Q58 PolarHBondContact O-N 2.9Å; W54-V185 HydrophobicContact CB-CG2 4.12Å; W54-F344 VanDerWaalsContact CD1-O 3.25Å; W54-F344 HydrophobicContact CD2-CB 4.39Å; W54-F344 HydrophobicContact CD2-CD1 4.04Å; W54-F344 HydrophobicContact CE3-CD1 4.15Å; W54-F344 HydrophobicContact CG-CB 4.09Å; W54-F344 HydrophobicContact CG-CD1 4.49Å; W54-F344 HydrophobicContact CZ3-CD1 4.44Å; W54-F344 PolarHBondContact NE1-O 2.99Å; W54-S345 PolarHBondContact NE1-O 3.46Å; W54-H346 AromaticContact CD1-CE1 3.34Å; W54-H346 AromaticContact CD1-NE2 3.72Å; W54-H346 AromaticContact NE1-CE1 3.39Å; W54-H346 PolarHBondContact NE1-CE1 3.26Å; W54-H346 AromaticContact NE1-NE2 3.52Å; W54-P348 HydrophobicContact CH2-CG 4.1Å; W54-P348 HydrophobicContact CZ2-CG 3.51Å
55H98.9Very high98.6Very high95 Ų9539.1 Ų39.144%0.4421%0.207SC..Hα-helixtrans-60.2-37.4171.5-71.4167.6000112.8K51 V52 Q58 I59K51-H55 WeakPolarHBondContact CE-NE2 3.4Å; K51-H55 PolarHBondContact O-N 2.8Å; V52-H55 PolarHBondContact O-N 3.27Å; H55-Q58 PolarHBondContact O-N 3.38Å; H55-I59 VanDerWaalsContact O-CG1 3.32Å; H55-I59 WeakPolarHBondContact O-CG1 3.37Å; H55-I59 PolarHBondContact O-N 3.44Å
56A98.9Very high98.7Very high15 Ų1537.4 Ų37.412%0.12420%0.196CC..Hα-helixtrans-64.8-39175.600000112.2V52 M53 W54 I59 R60 L84 L189V52-A56 PolarHBondContact O-N 2.95Å; V52-A56 VanDerWaalsContact O-N 3.12Å; M53-A56 WeakPolarHBondContact O-CB 3.47Å; M53-A56 PolarHBondContact O-N 3.44Å; W54-A56 VanDerWaalsContact C-N 3.29Å; W54-A56 PolarHBondContact O-N 3.39Å; A56-I59 PolarHBondContact O-N 3.28Å; A56-R60 PolarHBondContact O-N 3.25Å; A56-L84 HydrophobicContact CB-CD1 3.9Å; A56-L84 HydrophobicContact CB-CD2 3.71Å; A56-L84 HydrophobicContact CB-CG 4.49Å; A56-L189 HydrophobicContact CB-CD2 4.01Å
57A98.8Very high98.7Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-62.1-48172.400000111.3M53 W54 I59 R60 E61 L189M53-A57 PolarHBondContact O-N 3.38Å; W54-A57 WeakPolarHBondContact O-CB 3.4Å; W54-A57 PolarHBondContact O-N 3.45Å; A57-I59 VanDerWaalsContact C-N 3.31Å; A57-I59 PolarHBondContact O-N 3.27Å; A57-R60 PolarHBondContact O-N 3.2Å; A57-R60 VanDerWaalsContact O-N 3.08Å; A57-E61 WeakPolarHBondContact O-CG 3.47Å; A57-E61 PolarHBondContact O-N 2.92Å; A57-L189 HydrophobicContact CB-CG 4.26Å
58Q98.9Very high98.7Very high40 Ų4037.7 Ų37.719%0.18720%0.196CC..Hα-helixtrans-57.1-41.2175.8-67.5-60.2-71.400112.7W54 H55 E61 A62 H346W54-Q58 HydrophobicContact CD2-CG 4.02Å; W54-Q58 HydrophobicContact CE3-CG 4.08Å; W54-Q58 HydrophobicContact CH2-CG 3.85Å; W54-Q58 HydrophobicContact CZ2-CG 3.75Å; W54-Q58 HydrophobicContact CZ3-CG 4.01Å; W54-Q58 WeakPolarHBondContact O-CG 3.47Å; W54-Q58 PolarHBondContact O-N 2.9Å; H55-Q58 PolarHBondContact O-N 3.38Å; Q58-E61 PolarHBondContact NE2-OE2 3.36Å; Q58-E61 PolarHBondContact O-N 3.08Å; Q58-A62 WeakPolarHBondContact O-CB 3.29Å; Q58-A62 PolarHBondContact O-N 2.96Å; Q58-H346 PolarHBondContact NE2-CD2 3.34Å; Q58-H346 PolarHBondContact NE2-NE2 2.96Å; Q58-H346 VanDerWaalsContact NE2-NE2 3.17Å
59I98.9Very high98.7Very high107 Ų10739.6 Ų39.655%0.54921%0.205SC..Hα-helixtrans-63.8-44.5175.5-70.6166.4000110.9H55 A56 A57 A62 I63H55-I59 VanDerWaalsContact O-CG1 3.32Å; H55-I59 WeakPolarHBondContact O-CG1 3.37Å; H55-I59 PolarHBondContact O-N 3.44Å; A56-I59 PolarHBondContact O-N 3.28Å; A57-I59 VanDerWaalsContact C-N 3.31Å; A57-I59 PolarHBondContact O-N 3.27Å; I59-A62 WeakPolarHBondContact O-CB 3.34Å; I59-A62 PolarHBondContact O-N 2.82Å; I59-I63 HydrophobicContact CG2-CD1 3.84Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.36Å; I59-I63 PolarHBondContact O-N 2.82Å
60R98.7Very high98.7Very high62 Ų6244.4 Ų44.423%0.23422%0.224CC..Hα-helixtrans-67.4-38.8179.8-171.7177.3171.7-77.2-2111.8A56 A57 I63 H64 I76 G188 L189 G190A56-R60 PolarHBondContact O-N 3.25Å; A57-R60 PolarHBondContact O-N 3.2Å; A57-R60 VanDerWaalsContact O-N 3.08Å; R60-I63 PolarHBondContact O-N 3.04Å; R60-H64 VanDerWaalsContact O-CB 3.3Å; R60-H64 WeakPolarHBondContact O-CB 3.35Å; R60-H64 PolarHBondContact O-N 3.46Å; R60-I76 HydrophobicContact CG-CD1 4.41Å; R60-G188 VanDerWaalsContact CD-O 3.31Å; R60-G188 WeakPolarHBondContact CD-O 3.37Å; R60-G188 PolarHBondContact NH1-O 3.01Å; R60-L189 VanDerWaalsContact CD-C 3.47Å; R60-L189 WeakPolarHBondContact CD-O 3.44Å; R60-L189 PolarHBondContact NE-O 2.95Å; R60-L189 VanDerWaalsContact NE-O 3.07Å; R60-G190 VanDerWaalsContact NH1-CA 3.29Å
61E98.8Very high98.7Very high9 Ų946.5 Ų46.54%0.04225%0.252CS..Hα-helixtrans-61.3-43.3172.2-74.2165-152.400111.6A57 Q58 I63 H64 M65 Y66 G188 H346A57-E61 WeakPolarHBondContact O-CG 3.47Å; A57-E61 PolarHBondContact O-N 2.92Å; Q58-E61 PolarHBondContact NE2-OE2 3.36Å; Q58-E61 PolarHBondContact O-N 3.08Å; E61-I63 VanDerWaalsContact C-N 3.3Å; E61-I63 PolarHBondContact O-N 3.45Å; E61-H64 PolarHBondContact O-N 3.42Å; E61-M65 WeakPolarHBondContact O-CA 3.41Å; E61-M65 VanDerWaalsContact O-CB 3.28Å; E61-M65 WeakPolarHBondContact O-CB 3.47Å; E61-M65 PolarHBondContact O-N 3.2Å; E61-Y66 HydrophobicContact CB-CD2 4.32Å; E61-Y66 HydrophobicContact CB-CE2 3.9Å; E61-Y66 WeakPolarHBondContact O-CD2 3.28Å; E61-Y66 PolarHBondContact O-N 2.92Å; E61-Y66 VanDerWaalsContact O-N 3.14Å; E61-G188 WeakPolarHBondContact OE1-CA 3.31Å; E61-H346 IonicContact OE1-CD2 3.88Å; E61-H346 PolarHBondContact OE1-CD2 3.45Å; E61-H346 IonicContact OE1-CG 2.95Å; E61-H346 IonicContact OE1-NE2 3.94Å; E61-H346 PolarHBondContact OE1-NE2 2.84Å; E61-H346 IonicContact OE2-CD2 2.88Å
62A98.8Very high98.7Very high35 Ų3550.7 Ų50.729%0.28927%0.271SS..Iπ-helixtrans-58.7-40.717400000112.3Q58 I59 G67Q58-A62 WeakPolarHBondContact O-CB 3.29Å; Q58-A62 PolarHBondContact O-N 2.96Å; I59-A62 WeakPolarHBondContact O-CB 3.34Å; I59-A62 PolarHBondContact O-N 2.82Å; A62-G67 VanDerWaalsContact O-CA 3.25Å; A62-G67 WeakPolarHBondContact O-CA 3.44Å; A62-G67 PolarHBondContact O-N 3.35Å
63I98.8Very high98.7Very high59 Ų5956.8 Ų56.830%0.30330%0.302SS..Iπ-helixtrans-72.3-47.7178.6-64.2163.7000111.5I59 R60 E61 T74 I76I59-I63 HydrophobicContact CG2-CD1 3.84Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.36Å; I59-I63 PolarHBondContact O-N 2.82Å; R60-I63 PolarHBondContact O-N 3.04Å; E61-I63 VanDerWaalsContact C-N 3.3Å; E61-I63 PolarHBondContact O-N 3.45Å; I63-T74 WeakPolarHBondContact CG2-OG1 3.11Å; I63-T74 PolarHBondContact O-OG1 3.42Å; I63-I76 HydrophobicContact CB-CD1 4.48Å; I63-I76 HydrophobicContact CG2-CD1 3.84Å; I63-I76 HydrophobicContact CG2-CG1 3.76Å
64H98.2Very high98.7Very high119 Ų11959.8 Ų59.855%0.55132%0.321SS*.Iπ-helixtrans-94.9-33.5-165.7-172.3-73.6000114.1R60 E61R60-H64 VanDerWaalsContact O-CB 3.3Å; R60-H64 WeakPolarHBondContact O-CB 3.35Å; R60-H64 PolarHBondContact O-N 3.46Å; E61-H64 PolarHBondContact O-N 3.42Å
65M98.3Very high98.7Very high30 Ų3064.3 Ų64.315%0.14835%0.35CS..Iπ-helixtrans-103.2-43.9-171.6-168.4-177.9-6500111.9E61 E221 H385E61-M65 WeakPolarHBondContact O-CA 3.41Å; E61-M65 VanDerWaalsContact O-CB 3.28Å; E61-M65 WeakPolarHBondContact O-CB 3.47Å; E61-M65 PolarHBondContact O-N 3.2Å; M65-E221 HydrophobicContact CE-CB 4.25Å; M65-H385 HydrophobicContact CG-CB 3.71Å; M65-H385 PolarHBondContact O-CD2 3.25Å; M65-H385 HydrophobicContact SD-CB 4.01Å
66Y98.8Very high98.6Very high2 Ų263.4 Ų63.41%0.00835%0.348CS..Iπ-helixtrans-101.5-41.9-172.6-52.8-58.1000113.4E61 P68 D69 Y70 Y379 T380 T383 H385 Q387 F410E61-Y66 HydrophobicContact CB-CD2 4.32Å; E61-Y66 HydrophobicContact CB-CE2 3.9Å; E61-Y66 WeakPolarHBondContact O-CD2 3.28Å; E61-Y66 PolarHBondContact O-N 2.92Å; E61-Y66 VanDerWaalsContact O-N 3.14Å; Y66-P68 VanDerWaalsContact C-CD 3.41Å; Y66-P68 VanDerWaalsContact C-N 3.33Å; Y66-D69 PolarHBondContact O-N 3.17Å; Y66-Y70 WeakPolarHBondContact O-CD2 3.4Å; Y66-Y70 PolarHBondContact O-N 3.46Å; Y66-Y379 WeakPolarHBondContact CB-OH 3.49Å; Y66-Y379 HydrophobicContact CD1-CE1 4.4Å; Y66-Y379 HydrophobicContact CD2-CD1 4.49Å; Y66-Y379 AromaticContact CD2-CE1 3.38Å; Y66-Y379 HydrophobicContact CD2-CE1 3.38Å; Y66-Y379 AromaticContact CD2-CZ 3.62Å; Y66-Y379 VanDerWaalsContact CD2-OH 3.23Å; Y66-Y379 WeakPolarHBondContact CD2-OH 3.35Å; Y66-Y379 AromaticContact CE2-CE1 3.67Å; Y66-Y379 HydrophobicContact CE2-CE1 3.67Å; Y66-Y379 AromaticContact CG-CE1 3.78Å; Y66-Y379 HydrophobicContact CG-CE1 3.78Å; Y66-Y379 AromaticContact CG-CZ 3.85Å; Y66-T380 HydrophobicContact CD1-CG2 4.21Å; Y66-T380 HydrophobicContact CE1-CG2 3.58Å; Y66-T383 HydrophobicContact CD1-CG2 4.19Å; Y66-H385 HydrophobicContact CD1-CB 4.32Å; Y66-H385 HydrophobicContact CE1-CB 3.97Å; Y66-Q387 PolarHBondContact OH-NE2 3.37Å; Y66-F410 HydrophobicContact CE2-CZ 4.19Å
67G98.7Very high98.6Very high8 Ų870.1 Ų70.18%0.08238%0.382CS..G310 helixtrans-47.3-44.5-177.900000115A62 D69 Y70 G71 F72A62-G67 VanDerWaalsContact O-CA 3.25Å; A62-G67 WeakPolarHBondContact O-CA 3.44Å; A62-G67 PolarHBondContact O-N 3.35Å; G67-D69 PolarHBondContact O-N 2.92Å; G67-Y70 CarbonylContact O-C 3.46Å; G67-Y70 WeakPolarHBondContact O-CA 3.38Å; G67-Y70 PolarHBondContact O-N 2.97Å; G67-G71 PolarHBondContact O-N 2.96Å; G67-F72 WeakPolarHBondContact O-CB 3.28Å; G67-F72 PolarHBondContact O-N 3.44Å
68P98.7Very high98.6Very high68 Ų6877.5 Ų77.544%0.44241%0.414SS..G310 helixtrans-55.4-45179.5-29.737.4000114.2Y66 Y70 G71Y66-P68 VanDerWaalsContact C-CD 3.41Å; Y66-P68 VanDerWaalsContact C-N 3.33Å; P68-Y70 VanDerWaalsContact C-N 3.25Å; P68-Y70 PolarHBondContact O-N 3.4Å; P68-G71 PolarHBondContact O-N 3.09Å
69D98.7Very high98.5Very high66 Ų6679.6 Ų79.635%0.35342%0.422SS..G310 helixtrans-75.7-15.7179.8-70.3-44.3000113.1Y66 G67 G71 T383 T384Y66-D69 PolarHBondContact O-N 3.17Å; G67-D69 PolarHBondContact O-N 2.92Å; D69-G71 VanDerWaalsContact C-N 3.28Å; D69-T383 HydrophobicContact CB-CG2 3.95Å; D69-T383 WeakPolarHBondContact OD2-CA 3.36Å; D69-T383 WeakPolarHBondContact OD2-CB 3.44Å; D69-T384 WeakPolarHBondContact OD2-CB 3.28Å; D69-T384 PolarHBondContact OD2-N 3.36Å; D69-T384 PolarHBondContact OD2-OG1 2.95Å
70Y98.7Very high98.5Very high101 Ų10177.2 Ų77.240%0.39641%0.411SS..G310 helixtrans-87.45.1167.6-80.3-92.2000113Y66 G67 P68 Y379 V382 T383Y66-Y70 WeakPolarHBondContact O-CD2 3.4Å; Y66-Y70 PolarHBondContact O-N 3.46Å; G67-Y70 CarbonylContact O-C 3.46Å; G67-Y70 WeakPolarHBondContact O-CA 3.38Å; G67-Y70 PolarHBondContact O-N 2.97Å; P68-Y70 VanDerWaalsContact C-N 3.25Å; P68-Y70 PolarHBondContact O-N 3.4Å; Y70-Y379 HydrophobicContact CE2-CD2 4.49Å; Y70-Y379 HydrophobicContact CE2-CE2 4.4Å; Y70-Y379 WeakPolarHBondContact CE2-O 3.25Å; Y70-Y379 PolarHBondContact OH-O 3.29Å; Y70-V382 HydrophobicContact CD2-CG2 4.46Å; Y70-V382 HydrophobicContact CE1-CG2 3.9Å; Y70-V382 HydrophobicContact CE2-CG2 3.67Å; Y70-V382 VanDerWaalsContact OH-CG2 3.27Å; Y70-V382 WeakPolarHBondContact OH-CG2 3.3Å; Y70-T383 HydrophobicContact CD2-CG2 3.96Å; Y70-T383 HydrophobicContact CE2-CG2 3.59Å
71G98.6Very high98.5Very high68 Ų6875 Ų7570%0.70140%0.402SS*.THydrogen-bonded Turntrans86.511.6176.800000115G67 P68 D69 D73G67-G71 PolarHBondContact O-N 2.96Å; P68-G71 PolarHBondContact O-N 3.09Å; D69-G71 VanDerWaalsContact C-N 3.28Å; G71-D73 PolarHBondContact O-N 3.48Å
72F98.8Very high98.5Very high132 Ų13281.5 Ų81.558%0.57943%0.433SS*.  trans-89103.4173.4-61.4-83.1000110.4G67 T74G67-F72 WeakPolarHBondContact O-CB 3.28Å; G67-F72 PolarHBondContact O-N 3.44Å; F72-T74 HydrophobicContact CB-CG2 3.94Å; F72-T74 PolarHBondContact O-N 3.37Å
73D98.4Very high98.5Very high162 Ų16283.6 Ų83.687%0.86644%0.442SS*.  trans-81.6102.8166.8-177.79000109.1G71G71-D73 PolarHBondContact O-N 3.48Å
74T98.5Very high98.5Very high64 Ų6482.2 Ų82.239%0.39344%0.435SS..  trans-121.3141.2-172.663.10000112.2I63 F72I63-T74 WeakPolarHBondContact CG2-OG1 3.11Å; I63-T74 PolarHBondContact O-OG1 3.42Å; F72-T74 HydrophobicContact CB-CG2 3.94Å; F72-T74 PolarHBondContact O-N 3.37Å
75T98.5Very high98.6Very high109 Ų10978.1 Ų78.167%0.66942%0.417SS*.  trans-118.1123.3168.6-67.40000109.3N77T75-N77 PolarHBondContact O-N 3.27Å
76I98.2Very high98.6Very high76 Ų7679.4 Ų79.439%0.3943%0.432SS..  trans-80.3102.3171.4-60.9176.3000108R60 I63 K78R60-I76 HydrophobicContact CG-CD1 4.41Å; I63-I76 HydrophobicContact CB-CD1 4.48Å; I63-I76 HydrophobicContact CG2-CD1 3.84Å; I63-I76 HydrophobicContact CG2-CG1 3.76Å; I76-K78 VanDerWaalsContact C-N 3.34Å; I76-K78 PolarHBondContact O-N 3.26Å
77N98.3Very high98.6Very high156 Ų15682.7 Ų82.783%0.83446%0.456SS*.  trans-66.6-37.1179.5-55.9109.8000112.5T75T75-N77 PolarHBondContact O-N 3.27Å
78K98Very high98.6Very high155 Ų15583 Ų8367%0.67445%0.454SS*.  trans-159.8126.4177.5-178.1176.717568.40110.2I76 N80I76-K78 VanDerWaalsContact C-N 3.34Å; I76-K78 PolarHBondContact O-N 3.26Å; K78-N80 HydrophobicContact CG-CB 4.49Å
79F98.4Very high98.6Very high84 Ų8482.5 Ų82.537%0.36845%0.45SS..  trans-86.4112.3158.8172.9-133.7000108.5W81 L84 L166 L189F79-W81 AromaticContact CE1-CE3 3.73Å; F79-W81 HydrophobicContact CE1-CE3 3.73Å; F79-W81 HydrophobicContact CE1-CZ3 4.35Å; F79-W81 AromaticContact CZ-CE3 3.65Å; F79-W81 HydrophobicContact CZ-CE3 3.65Å; F79-W81 HydrophobicContact CZ-CZ3 4.21Å; F79-L84 HydrophobicContact CE2-CD2 4.22Å; F79-L84 HydrophobicContact CZ-CD2 4.13Å; F79-L166 HydrophobicContact CE1-CB 4.41Å; F79-L166 HydrophobicContact CE1-CD2 4.05Å; F79-L189 HydrophobicContact CE2-CD2 4.49Å; F79-L189 HydrophobicContact CZ-CD2 4.02Å
80N98.6Very high98.6Very high56 Ų5681.1 Ų81.130%0.29945%0.448SS..  trans-9894.4179.7-165.8-0.3000111.1K78 E82 T83 L84K78-N80 HydrophobicContact CG-CB 4.49Å; N80-E82 VanDerWaalsContact C-N 3.25Å; N80-E82 PolarHBondContact O-N 2.87Å; N80-E82 WeakPolarHBondContact OD1-CB 3.29Å; N80-E82 PolarHBondContact OD1-N 3.43Å; N80-T83 PolarHBondContact ND2-OG1 3.31Å; N80-T83 PolarHBondContact O-N 2.81Å; N80-L84 PolarHBondContact O-N 2.99Å
81W98.6Very high98.6Very high16 Ų1681.7 Ų81.76%0.06145%0.45CS..Hα-helixtrans-54.1-42.6177-175.7-98.1000112.1M53 F79 T83 L84 I85 L163 P164 L166 L189M53-W81 HydrophobicContact CE-CE3 4.49Å; M53-W81 HydrophobicContact CE-CH2 3.34Å; M53-W81 HydrophobicContact CE-CZ2 4.04Å; M53-W81 HydrophobicContact CE-CZ3 3.62Å; F79-W81 AromaticContact CE1-CE3 3.73Å; F79-W81 HydrophobicContact CE1-CE3 3.73Å; F79-W81 HydrophobicContact CE1-CZ3 4.35Å; F79-W81 AromaticContact CZ-CE3 3.65Å; F79-W81 HydrophobicContact CZ-CE3 3.65Å; F79-W81 HydrophobicContact CZ-CZ3 4.21Å; W81-T83 VanDerWaalsContact C-N 3.32Å; W81-T83 PolarHBondContact O-N 3.27Å; W81-L84 WeakPolarHBondContact O-CB 3.44Å; W81-L84 PolarHBondContact O-N 3.31Å; W81-L84 VanDerWaalsContact O-N 3.11Å; W81-I85 HydrophobicContact CD2-CG1 4.34Å; W81-I85 HydrophobicContact CG-CG1 4.23Å; W81-I85 HydrophobicContact CZ2-CD1 3.92Å; W81-I85 HydrophobicContact CZ2-CG1 4.49Å; W81-I85 VanDerWaalsContact NE1-CG1 3.34Å; W81-I85 WeakPolarHBondContact O-CG1 3.29Å; W81-I85 PolarHBondContact O-N 3.27Å; W81-L163 HydrophobicContact CZ2-CB 4.12Å; W81-L163 PolarHBondContact NE1-O 3.11Å; W81-P164 VanDerWaalsContact CD1-O 3.27Å; W81-L166 HydrophobicContact CD2-CB 4.41Å; W81-L166 HydrophobicContact CE3-CB 3.77Å; W81-L166 HydrophobicContact CH2-CD1 4.48Å; W81-L166 HydrophobicContact CZ3-CB 3.84Å; W81-L166 HydrophobicContact CZ3-CD1 4.1Å; W81-L166 HydrophobicContact CZ3-CG 4.47Å; W81-L189 HydrophobicContact CZ3-CD1 3.97Å
82E98.6Very high98.6Very high145 Ų14579 Ų7968%0.67842%0.42SS*.Hα-helixtrans-59.3-41.4-179.6-169.8-173176.400112.1N80 L84 I85 A86N80-E82 VanDerWaalsContact C-N 3.25Å; N80-E82 PolarHBondContact O-N 2.87Å; N80-E82 WeakPolarHBondContact OD1-CB 3.29Å; N80-E82 PolarHBondContact OD1-N 3.43Å; E82-L84 PolarHBondContact O-N 2.88Å; E82-I85 PolarHBondContact O-N 3.12Å; E82-A86 VanDerWaalsContact O-CB 3.28Å; E82-A86 WeakPolarHBondContact O-CB 3.37Å; E82-A86 PolarHBondContact O-N 3.26Å
83T98.8Very high98.6Very high79 Ų7976.4 Ų76.449%0.48541%0.412SS..Hα-helixtrans-63.6-41176.6-58.70000112N80 W81 S87N80-T83 PolarHBondContact ND2-OG1 3.31Å; N80-T83 PolarHBondContact O-N 2.81Å; W81-T83 VanDerWaalsContact C-N 3.32Å; W81-T83 PolarHBondContact O-N 3.27Å; T83-S87 WeakPolarHBondContact O-CB 3.48Å; T83-S87 PolarHBondContact O-N 2.88Å; T83-S87 PolarHBondContact O-OG 2.91Å
84L98.8Very high98.6Very high30 Ų3075.8 Ų75.816%0.15740%0.397CS..Hα-helixtrans-63.2-48.6176.1173.359.3000110.8V52 M53 A56 F79 N80 W81 E82 S87 R88V52-L84 HydrophobicContact CG1-CD1 4.26Å; M53-L84 HydrophobicContact CE-CD2 3.56Å; M53-L84 HydrophobicContact CE-CG 4.35Å; M53-L84 HydrophobicContact SD-CD1 4.42Å; M53-L84 HydrophobicContact SD-CD2 3.81Å; M53-L84 HydrophobicContact SD-CG 4.01Å; A56-L84 HydrophobicContact CB-CD1 3.9Å; A56-L84 HydrophobicContact CB-CD2 3.71Å; A56-L84 HydrophobicContact CB-CG 4.49Å; F79-L84 HydrophobicContact CE2-CD2 4.22Å; F79-L84 HydrophobicContact CZ-CD2 4.13Å; N80-L84 PolarHBondContact O-N 2.99Å; W81-L84 WeakPolarHBondContact O-CB 3.44Å; W81-L84 PolarHBondContact O-N 3.31Å; W81-L84 VanDerWaalsContact O-N 3.11Å; E82-L84 PolarHBondContact O-N 2.88Å; L84-S87 PolarHBondContact O-N 3.04Å; L84-R88 VanDerWaalsContact O-CB 3.29Å; L84-R88 WeakPolarHBondContact O-CB 3.4Å; L84-R88 PolarHBondContact O-N 2.88Å
85I98.7Very high98.6Very high33 Ų3374 Ų7417%0.16939%0.385CS..Hα-helixtrans-63.4-45.6179.4-61-58.2000111.3M53 W81 E82 S87 R88 T89M53-I85 HydrophobicContact SD-CD1 4.41Å; W81-I85 HydrophobicContact CD2-CG1 4.34Å; W81-I85 HydrophobicContact CG-CG1 4.23Å; W81-I85 HydrophobicContact CZ2-CD1 3.92Å; W81-I85 HydrophobicContact CZ2-CG1 4.49Å; W81-I85 VanDerWaalsContact NE1-CG1 3.34Å; W81-I85 WeakPolarHBondContact O-CG1 3.29Å; W81-I85 PolarHBondContact O-N 3.27Å; E82-I85 PolarHBondContact O-N 3.12Å; I85-S87 PolarHBondContact O-N 2.8Å; I85-R88 VanDerWaalsContact CD1-NH1 3.3Å; I85-R88 WeakPolarHBondContact O-CB 3.21Å; I85-R88 PolarHBondContact O-N 2.92Å; I85-T89 WeakPolarHBondContact O-CB 3.48Å; I85-T89 PolarHBondContact O-N 2.81Å; I85-T89 PolarHBondContact O-OG1 3.06Å
86A98.8Very high98.6Very high57 Ų5769.9 Ų69.947%0.47136%0.358SS..Hα-helixtrans-60.6-43.8177.800000112.1E82 T89 A90E82-A86 VanDerWaalsContact O-CB 3.28Å; E82-A86 WeakPolarHBondContact O-CB 3.37Å; E82-A86 PolarHBondContact O-N 3.26Å; A86-T89 PolarHBondContact O-N 3.48Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.99Å
87S98.8Very high98.6Very high72 Ų7269.9 Ų69.950%0.50336%0.361SS..Hα-helixtrans-65.4-40.3177.8-57.80000112T83 L84 I85 Y91T83-S87 WeakPolarHBondContact O-CB 3.48Å; T83-S87 PolarHBondContact O-N 2.88Å; T83-S87 PolarHBondContact O-OG 2.91Å; L84-S87 PolarHBondContact O-N 3.04Å; I85-S87 PolarHBondContact O-N 2.8Å; S87-Y91 PolarHBondContact O-N 3.12Å
88R98.7Very high98.6Very high15 Ų1565.6 Ų65.66%0.05734%0.344CS..Hα-helixtrans-62.5-49.3174.7-175-168.476.5-176.43.1111.2P49 V52 L84 I85 Y91 I92 F161P49-R88 HydrophobicContact CB-CG 4.16Å; V52-R88 HydrophobicContact CB-CG 4.08Å; V52-R88 HydrophobicContact CG1-CB 3.94Å; V52-R88 HydrophobicContact CG1-CG 3.89Å; V52-R88 HydrophobicContact CG2-CG 4.42Å; L84-R88 VanDerWaalsContact O-CB 3.29Å; L84-R88 WeakPolarHBondContact O-CB 3.4Å; L84-R88 PolarHBondContact O-N 2.88Å; I85-R88 VanDerWaalsContact CD1-NH1 3.3Å; I85-R88 WeakPolarHBondContact O-CB 3.21Å; I85-R88 PolarHBondContact O-N 2.92Å; R88-Y91 WeakPolarHBondContact O-CB 3.37Å; R88-Y91 PolarHBondContact O-N 2.83Å; R88-I92 HydrophobicContact CG-CD1 4.35Å; R88-I92 WeakPolarHBondContact O-CG1 3.43Å; R88-I92 PolarHBondContact O-N 3.19Å; R88-I92 VanDerWaalsContact O-N 3.12Å; R88-F161 PolarHBondContact NH2-O 3.12Å
89T98.6Very high98.6Very high56 Ų5661.3 Ų61.334%0.34432%0.324SS..Hα-helixtrans-61.4-47.2179-610000111.1I85 A86 Y91 I92 D93I85-T89 WeakPolarHBondContact O-CB 3.48Å; I85-T89 PolarHBondContact O-N 2.81Å; I85-T89 PolarHBondContact O-OG1 3.06Å; A86-T89 PolarHBondContact O-N 3.48Å; T89-Y91 PolarHBondContact O-N 3.28Å; T89-Y91 VanDerWaalsContact O-N 3.13Å; T89-I92 WeakPolarHBondContact O-CA 3.43Å; T89-I92 WeakPolarHBondContact O-CB 3.24Å; T89-I92 PolarHBondContact O-N 2.76Å; T89-D93 VanDerWaalsContact O-CG 3.27Å; T89-D93 PolarHBondContact O-N 3.28Å
90A98.8Very high98.6Very high37 Ų3763 Ų6331%0.30633%0.333SS..Hα-helixtrans-59.8-29.9177.700000113A86 R94A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 2.99Å; A90-R94 WeakPolarHBondContact O-CG 3.48Å; A90-R94 VanDerWaalsContact O-CZ 3.25Å; A90-R94 PolarHBondContact O-N 2.82Å; A90-R94 PolarHBondContact O-NH1 3.24Å
91Y98.7Very high98.6Very high114 Ų11464.5 Ų64.545%0.44734%0.341SS..Hα-helixtrans-71-42.1172.8-179.5-127.9000112.4V48 V52 S87 R88 T89 R94 I95V48-Y91 HydrophobicContact CG1-CD1 3.86Å; V48-Y91 HydrophobicContact CG1-CE1 3.74Å; V52-Y91 HydrophobicContact CG2-CD1 4.28Å; S87-Y91 PolarHBondContact O-N 3.12Å; R88-Y91 WeakPolarHBondContact O-CB 3.37Å; R88-Y91 PolarHBondContact O-N 2.83Å; T89-Y91 PolarHBondContact O-N 3.28Å; T89-Y91 VanDerWaalsContact O-N 3.13Å; Y91-R94 PolarHBondContact O-N 3.02Å; Y91-I95 HydrophobicContact CD1-CD1 4.35Å; Y91-I95 HydrophobicContact CE1-CD1 4Å; Y91-I95 HydrophobicContact CE2-CD1 4.43Å; Y91-I95 WeakPolarHBondContact O-CG1 3.22Å; Y91-I95 PolarHBondContact O-N 2.78Å
92I98.6Very high98.6Very high12 Ų1266.6 Ų66.66%0.06236%0.355CS..Hα-helixtrans-61.1-43.9174.6-67.5169.4000110.7V43 V48 P49 R88 T89 R94 I95 H96V43-I92 HydrophobicContact CG1-CG2 4.1Å; V43-I92 WeakPolarHBondContact O-CG1 3.5Å; V48-I92 HydrophobicContact CG1-CG1 4.11Å; P49-I92 HydrophobicContact CB-CD1 4.14Å; P49-I92 HydrophobicContact CG-CD1 4.39Å; R88-I92 HydrophobicContact CG-CD1 4.35Å; R88-I92 WeakPolarHBondContact O-CG1 3.43Å; R88-I92 PolarHBondContact O-N 3.19Å; R88-I92 VanDerWaalsContact O-N 3.12Å; T89-I92 WeakPolarHBondContact O-CA 3.43Å; T89-I92 WeakPolarHBondContact O-CB 3.24Å; T89-I92 PolarHBondContact O-N 2.76Å; I92-R94 VanDerWaalsContact C-N 3.29Å; I92-R94 PolarHBondContact O-N 2.82Å; I92-I95 WeakPolarHBondContact O-CA 3.41Å; I92-I95 VanDerWaalsContact O-CB 3.29Å; I92-I95 WeakPolarHBondContact O-CB 3.39Å; I92-I95 PolarHBondContact O-N 2.58Å; I92-H96 PolarHBondContact O-N 2.88Å
93D98.6Very high98.6Very high77 Ų7759.7 Ų59.741%0.41232%0.323SS..Hα-helixtrans-60.1-39.3178.9-60.8-24.4000112T89 I95 H96 T97T89-D93 VanDerWaalsContact O-CG 3.27Å; T89-D93 PolarHBondContact O-N 3.28Å; D93-I95 VanDerWaalsContact C-N 3.26Å; D93-I95 PolarHBondContact O-N 2.93Å; D93-H96 WeakPolarHBondContact O-CB 3.24Å; D93-H96 PolarHBondContact O-N 3.04Å; D93-T97 PolarHBondContact O-N 2.92Å; D93-T97 PolarHBondContact O-OG1 3.43Å
94R98.7Very high98.6Very high149 Ų14958.1 Ų58.156%0.56232%0.322SS*.Hα-helixtrans-63.2-33.5173.4-74.3-173.5-65.6-84.45.3112.3A90 Y91 I92 S98A90-R94 WeakPolarHBondContact O-CG 3.48Å; A90-R94 VanDerWaalsContact O-CZ 3.25Å; A90-R94 PolarHBondContact O-N 2.82Å; A90-R94 PolarHBondContact O-NH1 3.24Å; Y91-R94 PolarHBondContact O-N 3.02Å; I92-R94 VanDerWaalsContact C-N 3.29Å; I92-R94 PolarHBondContact O-N 2.82Å; R94-S98 WeakPolarHBondContact O-CB 3.49Å; R94-S98 PolarHBondContact O-N 3.13Å
95I98.5Very high98.6Very high26 Ų2664.4 Ų64.413%0.13335%0.348CS..Hα-helixtrans-69-42.4174.7-63.2168.4000110.2V43 V48 Y91 I92 D93 S98 Y99V43-I95 HydrophobicContact CG1-CB 4.13Å; V43-I95 HydrophobicContact CG1-CD1 4.44Å; V43-I95 HydrophobicContact CG1-CG2 3.66Å; V43-I95 HydrophobicContact CG2-CG2 4.09Å; V48-I95 HydrophobicContact CG1-CD1 3.82Å; V48-I95 HydrophobicContact CG2-CD1 4.1Å; Y91-I95 HydrophobicContact CD1-CD1 4.35Å; Y91-I95 HydrophobicContact CE1-CD1 4Å; Y91-I95 HydrophobicContact CE2-CD1 4.43Å; Y91-I95 WeakPolarHBondContact O-CG1 3.22Å; Y91-I95 PolarHBondContact O-N 2.78Å; I92-I95 WeakPolarHBondContact O-CA 3.41Å; I92-I95 VanDerWaalsContact O-CB 3.29Å; I92-I95 WeakPolarHBondContact O-CB 3.39Å; I92-I95 PolarHBondContact O-N 2.58Å; D93-I95 VanDerWaalsContact C-N 3.26Å; D93-I95 PolarHBondContact O-N 2.93Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.14Å; I95-Y99 HydrophobicContact CG2-CD2 3.9Å; I95-Y99 HydrophobicContact CG2-CE2 3.47Å; I95-Y99 VanDerWaalsContact CG2-CE2 3.47Å; I95-Y99 WeakPolarHBondContact O-CD2 3.39Å; I95-Y99 PolarHBondContact O-N 2.82Å
96H98.5Very high98.6Very high23 Ų2364.9 Ų64.911%0.10635%0.351CS..Hα-helixtrans-57.3-51.5173.6-60.6158.8000111.4L38 N44 I92 D93 S98 Y99 E100L38-H96 PolarHBondContact O-CD2 3.11Å; L38-H96 PolarHBondContact O-NE2 3.11Å; N44-H96 PolarHBondContact OD1-CE1 3.12Å; N44-H96 VanDerWaalsContact OD1-CE1 3.29Å; N44-H96 PolarHBondContact OD1-NE2 2.83Å; I92-H96 PolarHBondContact O-N 2.88Å; D93-H96 WeakPolarHBondContact O-CB 3.24Å; D93-H96 PolarHBondContact O-N 3.04Å; H96-S98 PolarHBondContact O-N 3.45Å; H96-Y99 PolarHBondContact O-N 3.4Å; H96-E100 PolarHBondContact O-N 3.41Å
97T98.5Very high98.6Very high75 Ų7568.6 Ų68.646%0.4636%0.363SS..Hα-helixtrans-56-41.9175.9-61.40000111D93 Y99 E100 N101D93-T97 PolarHBondContact O-N 2.92Å; D93-T97 PolarHBondContact O-OG1 3.43Å; T97-Y99 VanDerWaalsContact C-N 3.35Å; T97-Y99 PolarHBondContact O-N 2.95Å; T97-E100 PolarHBondContact O-N 2.96Å; T97-N101 WeakPolarHBondContact CG2-ND2 3.25Å; T97-N101 WeakPolarHBondContact O-CB 3.4Å; T97-N101 PolarHBondContact O-N 3.22Å; T97-N101 PolarHBondContact O-ND2 2.91Å
98S98.3Very high98.6Very high67 Ų6765.6 Ų65.647%0.46934%0.342SS..Hα-helixtrans-62.4-40176.8-173.30000112.3R94 I95 H96 V102R94-S98 WeakPolarHBondContact O-CB 3.49Å; R94-S98 PolarHBondContact O-N 3.13Å; I95-S98 WeakPolarHBondContact O-CB 3.44Å; I95-S98 PolarHBondContact O-N 3.14Å; H96-S98 PolarHBondContact O-N 3.45Å; S98-V102 WeakPolarHBondContact O-CG2 3.32Å; S98-V102 PolarHBondContact O-N 2.89Å; S98-V102 VanDerWaalsContact O-N 3.13Å
99Y98.4Very high98.6Very high65 Ų6568.3 Ų68.326%0.25536%0.358SS..Hα-helixtrans-68-45.2176.8-74.9-48.9000112.4I17 V43 I95 H96 T97 N101 V102 L103I17-Y99 HydrophobicContact CD1-CD1 4.04Å; I17-Y99 HydrophobicContact CD1-CD2 3.94Å; I17-Y99 HydrophobicContact CD1-CE1 4.25Å; I17-Y99 HydrophobicContact CD1-CE2 4.13Å; I17-Y99 HydrophobicContact CD1-CG 3.89Å; I17-Y99 HydrophobicContact CG2-CD1 3.76Å; I17-Y99 HydrophobicContact CG2-CE1 3.76Å; V43-Y99 HydrophobicContact CG2-CE2 4.02Å; I95-Y99 HydrophobicContact CG2-CD2 3.9Å; I95-Y99 HydrophobicContact CG2-CE2 3.47Å; I95-Y99 VanDerWaalsContact CG2-CE2 3.47Å; I95-Y99 WeakPolarHBondContact O-CD2 3.39Å; I95-Y99 PolarHBondContact O-N 2.82Å; H96-Y99 PolarHBondContact O-N 3.4Å; T97-Y99 VanDerWaalsContact C-N 3.35Å; T97-Y99 PolarHBondContact O-N 2.95Å; Y99-N101 VanDerWaalsContact C-N 3.26Å; Y99-N101 PolarHBondContact O-N 3.17Å; Y99-V102 PolarHBondContact O-N 3.29Å; Y99-V102 VanDerWaalsContact O-N 3.13Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 VanDerWaalsContact O-CG 3.3Å; Y99-L103 WeakPolarHBondContact O-CG 3.17Å; Y99-L103 PolarHBondContact O-N 2.79Å
100E98.4Very high98.6Very high120 Ų12069 Ų6956%0.56136%0.361SS*.Hα-helixtrans-56-44.2176-69.9176.9-171.400111.3L38 H96 T97 V102 G104L38-E100 HydrophobicContact CD1-CG 3.74Å; H96-E100 PolarHBondContact O-N 3.41Å; T97-E100 PolarHBondContact O-N 2.96Å; E100-V102 PolarHBondContact O-N 2.9Å; E100-G104 PolarHBondContact O-N 2.96Å
101N98.4Very high98.6Very high86 Ų8668.6 Ų68.646%0.4635%0.354SS..Hα-helixtrans-60.3-44.2176.3-81.4-64.2000112.7T97 Y99 K105T97-N101 WeakPolarHBondContact CG2-ND2 3.25Å; T97-N101 WeakPolarHBondContact O-CB 3.4Å; T97-N101 PolarHBondContact O-N 3.22Å; T97-N101 PolarHBondContact O-ND2 2.91Å; Y99-N101 VanDerWaalsContact C-N 3.26Å; Y99-N101 PolarHBondContact O-N 3.17Å; N101-K105 WeakPolarHBondContact O-CB 3.43Å; N101-K105 WeakPolarHBondContact O-CG 3.45Å; N101-K105 PolarHBondContact O-N 3.02Å
102V98.4Very high98.6Very high60 Ų6069 Ų6936%0.36436%0.358SS..Hα-helixtrans-72.2-43.1-178.51740000111.3S98 Y99 E100 K105 N106S98-V102 WeakPolarHBondContact O-CG2 3.32Å; S98-V102 PolarHBondContact O-N 2.89Å; S98-V102 VanDerWaalsContact O-N 3.13Å; Y99-V102 PolarHBondContact O-N 3.29Å; Y99-V102 VanDerWaalsContact O-N 3.13Å; E100-V102 PolarHBondContact O-N 2.9Å; V102-K105 PolarHBondContact O-N 2.93Å; V102-N106 WeakPolarHBondContact O-CB 3.42Å; V102-N106 PolarHBondContact O-N 3.47Å; V102-N106 PolarHBondContact O-ND2 2.98Å
103L98.7Very high98.6Very high1 Ų168.8 Ų68.81%0.00536%0.359CS..Hα-helixtrans-62.3-44.4176.5-70.1165000110.9I20 N21 L32 L38 Y99 N106 N107 V108 V110I20-L103 HydrophobicContact CG2-CD2 3.7Å; N21-L103 WeakPolarHBondContact ND2-CD2 3.42Å; L32-L103 HydrophobicContact CD2-CD1 3.97Å; L32-L103 HydrophobicContact CD2-CD2 4.2Å; L38-L103 HydrophobicContact CD1-CD1 4.04Å; L38-L103 HydrophobicContact CD2-CD1 4.17Å; Y99-L103 WeakPolarHBondContact O-CB 3.48Å; Y99-L103 VanDerWaalsContact O-CG 3.3Å; Y99-L103 WeakPolarHBondContact O-CG 3.17Å; Y99-L103 PolarHBondContact O-N 2.79Å; L103-N106 CarbonylContact O-C 3.41Å; L103-N106 PolarHBondContact O-N 2.98Å; L103-N107 PolarHBondContact O-N 3.25Å; L103-N107 VanDerWaalsContact O-N 3.14Å; L103-V108 HydrophobicContact CB-CB 4.31Å; L103-V108 HydrophobicContact CD2-CB 4.03Å; L103-V108 HydrophobicContact CD2-CG1 4.02Å; L103-V108 HydrophobicContact CD2-CG2 4.16Å; L103-V108 PolarHBondContact O-N 3.39Å; L103-V110 HydrophobicContact CB-CG2 4.1Å; L103-V110 HydrophobicContact CD1-CG2 3.86Å; L103-V110 HydrophobicContact CG-CG2 4.47Å
104G98.5Very high98.6Very high45 Ų4569.4 Ų69.446%0.46436%0.358SS..Hα-helixtrans-62.5-43.3175.400000113E100 N106 N107E100-G104 PolarHBondContact O-N 2.96Å; G104-N106 PolarHBondContact O-N 2.9Å; G104-N107 PolarHBondContact O-N 3.37Å
105K98.5Very high98.6Very high162 Ų16262.5 Ų62.570%0.70433%0.333SS*.Hα-helixtrans-61.3-32.1174.4-77.2173.1-173.8-176.90113N101 V102 N107N101-K105 WeakPolarHBondContact O-CB 3.43Å; N101-K105 WeakPolarHBondContact O-CG 3.45Å; N101-K105 PolarHBondContact O-N 3.02Å; V102-K105 PolarHBondContact O-N 2.93Å; K105-N107 VanDerWaalsContact C-N 3.28Å
106N98.6Very high98.6Very high43 Ų4366.4 Ų66.423%0.2335%0.346CS..THydrogen-bonded Turntrans-86.44.9175.8-74.6-26.7000113.1N21 A24 V102 L103 G104 V108N21-N106 PolarHBondContact OD1-ND2 3.37Å; A24-N106 HydrophobicContact CB-CB 3.86Å; A24-N106 WeakPolarHBondContact CB-O 3.44Å; V102-N106 WeakPolarHBondContact O-CB 3.42Å; V102-N106 PolarHBondContact O-N 3.47Å; V102-N106 PolarHBondContact O-ND2 2.98Å; L103-N106 CarbonylContact O-C 3.41Å; L103-N106 PolarHBondContact O-N 2.98Å; G104-N106 PolarHBondContact O-N 2.9Å; N106-V108 HydrophobicContact CB-CG2 4.07Å; N106-V108 PolarHBondContact O-N 2.74Å
107N98.5Very high98.6Very high135 Ų13565.5 Ų65.572%0.72234%0.342SS*.THydrogen-bonded Turntrans52.838.4-177.2-52.2-73.2000113.2L103 G104 K105L103-N107 PolarHBondContact O-N 3.25Å; L103-N107 VanDerWaalsContact O-N 3.14Å; G104-N107 PolarHBondContact O-N 3.37Å; K105-N107 VanDerWaalsContact C-N 3.28Å
108V98.8Very high98.6Very high9 Ų965.6 Ų65.66%0.05534%0.342CS..  trans-84.2124.6173.1179.10000109I20 A24 C30 L32 L103 N106 V110I20-V108 HydrophobicContact CG1-CG1 3.72Å; I20-V108 HydrophobicContact CG1-CG2 4.35Å; I20-V108 HydrophobicContact CG2-CG1 4.18Å; A24-V108 HydrophobicContact CB-CG2 3.72Å; C30-V108 HydrophobicContact CB-CG1 4.26Å; C30-V108 HydrophobicContact CB-CG2 4.14Å; L32-V108 HydrophobicContact CB-CG1 4.02Å; L103-V108 HydrophobicContact CB-CB 4.31Å; L103-V108 HydrophobicContact CD2-CB 4.03Å; L103-V108 HydrophobicContact CD2-CG1 4.02Å; L103-V108 HydrophobicContact CD2-CG2 4.16Å; L103-V108 PolarHBondContact O-N 3.39Å; N106-V108 HydrophobicContact CB-CG2 4.07Å; N106-V108 PolarHBondContact O-N 2.74Å; V108-V110 PolarHBondContact O-N 2.98Å
109D98.7Very high98.6Very high73 Ų7365.6 Ų65.639%0.3934%0.337SS..EExtended strand (participates in β ladder)trans-74.6111.6174.7-72.9-15.5000109.6Y5 C30 A31 L32Y5-D109 HydrophobicContact CE1-CB 4.01Å; Y5-D109 WeakPolarHBondContact CE1-OD2 3.29Å; Y5-D109 VanDerWaalsContact CZ-OD2 3.32Å; Y5-D109 PolarHBondContact OH-OD2 2.85Å; C30-D109 PolarHBondContact O-N 2.97Å; A31-D109 CarbonylContact C-O 3.54Å; A31-D109 VanDerWaalsContact CA-O 3.23Å; A31-D109 WeakPolarHBondContact CA-O 3.37Å; A31-D109 HydrophobicContact CB-CB 4.28Å; L32-D109 PolarHBondContact N-O 2.65Å
110V98.7Very high98.6Very high69 Ų6963.8 Ų63.842%0.41834%0.336SS..EExtended strand (participates in β ladder)trans-95121177.7-176.60000109.8L32 L38 L103 V108L32-V110 WeakPolarHBondContact O-CA 3.39Å; L38-V110 HydrophobicContact CD2-CG1 4.3Å; L103-V110 HydrophobicContact CB-CG2 4.1Å; L103-V110 HydrophobicContact CD1-CG2 3.86Å; L103-V110 HydrophobicContact CG-CG2 4.47Å; V108-V110 PolarHBondContact O-N 2.98Å
111I98.7Very high98.6Very high30 Ų3061.3 Ų61.315%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-113.3113.4179.9-52.8174.6000108.4L32 I33 E34 G113 V125 I130L32-I111 PolarHBondContact O-N 3.12Å; I33-I111 WeakPolarHBondContact CA-O 3.38Å; I33-I111 HydrophobicContact CG1-CB 4.4Å; E34-I111 PolarHBondContact N-O 2.89Å; I111-G113 PolarHBondContact O-N 2.9Å; I111-V125 HydrophobicContact CD1-CG1 4.41Å; I111-V125 HydrophobicContact CG2-CG1 3.99Å; I111-V125 HydrophobicContact CG2-CG2 3.9Å; I111-I130 HydrophobicContact CD1-CD1 4.18Å
112K98.7Very high98.6Very high121 Ų12158.1 Ų58.153%0.52631%0.306SS..EExtended strand (participates in β ladder)trans-79.8112.6172.8-168.6164.8-176.7154.60109.4E34 K36 E37 N126E34-K112 CarbonylContact O-C 3.55Å; E34-K112 VanDerWaalsContact O-CA 3.29Å; E34-K112 WeakPolarHBondContact O-CA 3.49Å; K36-K112 WeakPolarHBondContact O-CE 3.45Å; K36-K112 PolarHBondContact O-NZ 2.81Å; E37-K112 VanDerWaalsContact CD-NZ 3.31Å; E37-K112 IonicContact OE1-NZ 3.79Å; E37-K112 PolarHBondContact OE1-NZ 2.99Å; E37-K112 IonicContact OE2-NZ 3.98Å; E37-K112 PolarHBondContact OE2-NZ 3.29Å; K112-N126 PolarHBondContact O-ND2 3.03Å
113G98.6Very high98.6Very high9 Ų955.3 Ų55.39%0.09329%0.289CS..SBendtrans167.1166-175.600000112.5I33 E34 A35 I111I33-G113 VanDerWaalsContact CG2-O 3.27Å; I33-G113 WeakPolarHBondContact CG2-O 3.48Å; E34-G113 CarbonylContact C-O 3.5Å; E34-G113 PolarHBondContact O-N 3.11Å; A35-G113 VanDerWaalsContact CA-O 3.28Å; A35-G113 WeakPolarHBondContact CA-O 3.49Å; A35-G113 PolarHBondContact N-O 3.3Å; I111-G113 PolarHBondContact O-N 2.9Å
114F98.7Very high98.6Very high90 Ų9058 Ų5840%0.39530%0.302SS..  trans-97.5113.9178-171.1-83.8000109.7A35 R116 N269 I270A35-F114 HydrophobicContact CB-CB 4.1Å; A35-F114 HydrophobicContact CB-CD2 3.81Å; A35-F114 HydrophobicContact CB-CG 4.43Å; F114-R116 HydrophobicContact CD1-CG 4.02Å; F114-R116 HydrophobicContact CE1-CG 3.96Å; F114-N269 HydrophobicContact CE1-CB 4.5Å; F114-N269 VanDerWaalsContact CE1-O 3.26Å; F114-N269 WeakPolarHBondContact CE1-O 3.43Å; F114-N269 HydrophobicContact CZ-CB 3.95Å; F114-I270 HydrophobicContact CE1-CG2 3.96Å; F114-I270 HydrophobicContact CZ-CG2 3.68Å
115A98.7Very high98.6Very high4 Ų456 Ų563%0.03328%0.281CS..  trans-81.1143.5179.200000112.5I10 I33 E124I10-A115 HydrophobicContact CG1-CB 4.37Å; I10-A115 HydrophobicContact CG2-CB 4.17Å; I33-A115 HydrophobicContact CB-CB 4.43Å; I33-A115 HydrophobicContact CD1-CB 3.75Å; I33-A115 HydrophobicContact CG2-CB 3.94Å; A115-E124 VanDerWaalsContact CA-O 3.3Å; A115-E124 WeakPolarHBondContact CA-O 3.37Å
116R98.8Very high98.6Very high108 Ų10853.8 Ų53.841%0.40828%0.277SS..EExtended strand (participates in β ladder)trans-129.4144.4169.1-62.5176.9-173.2-97-2.5109.6F114 L123 E124 N269 I270 N271F114-R116 HydrophobicContact CD1-CG 4.02Å; F114-R116 HydrophobicContact CE1-CG 3.96Å; R116-L123 CarbonylContact O-C 3.59Å; R116-L123 WeakPolarHBondContact O-CA 3.34Å; R116-E124 PolarHBondContact N-O 2.87Å; R116-E124 PolarHBondContact O-N 3.22Å; R116-N269 PolarHBondContact NH1-O 3.35Å; R116-I270 WeakPolarHBondContact CA-O 3.45Å; R116-N271 HydrophobicContact CB-CB 4.49Å
117F98.9Very high98.5Very high3 Ų355 Ų551%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-69.2138.7171.7-76.2-84.1000111.1I10 D119 L123 I135 I137 I270 N271 A275 I298I10-F117 HydrophobicContact CD1-CD2 4.49Å; I10-F117 HydrophobicContact CD1-CE2 3.74Å; I10-F117 HydrophobicContact CD1-CZ 3.83Å; F117-D119 WeakPolarHBondContact CD1-O 3.48Å; F117-L123 HydrophobicContact CB-CD2 4.32Å; F117-L123 HydrophobicContact CD1-CD2 3.35Å; F117-L123 HydrophobicContact CD2-CD2 4.07Å; F117-L123 HydrophobicContact CE1-CD2 3.57Å; F117-L123 HydrophobicContact CE2-CD2 4.23Å; F117-L123 HydrophobicContact CG-CD2 3.64Å; F117-L123 HydrophobicContact CZ-CD2 4Å; F117-I135 HydrophobicContact CE1-CD1 3.96Å; F117-I135 HydrophobicContact CE1-CG2 4.03Å; F117-I135 HydrophobicContact CZ-CG2 3.86Å; F117-I137 HydrophobicContact CE2-CD1 3.77Å; F117-I137 HydrophobicContact CE2-CG1 4.07Å; F117-I137 HydrophobicContact CZ-CD1 3.81Å; F117-I137 HydrophobicContact CZ-CG1 3.93Å; F117-I270 HydrophobicContact CD2-CD1 4.44Å; F117-I270 HydrophobicContact CD2-CG1 4.39Å; F117-I270 HydrophobicContact CE2-CD1 4.14Å; F117-I270 PolarHBondContact N-O 2.65Å; F117-N271 WeakPolarHBondContact CB-O 3.45Å; F117-N271 PolarHBondContact O-ND2 2.98Å; F117-A275 HydrophobicContact CB-CB 4.34Å; F117-A275 HydrophobicContact CD1-CB 3.73Å; F117-A275 HydrophobicContact CD2-CB 4.38Å; F117-A275 HydrophobicContact CE1-CB 4.02Å; F117-A275 HydrophobicContact CG-CB 3.91Å; F117-A275 HydrophobicContact CZ-CB 4.48Å; F117-I298 HydrophobicContact CE1-CD1 4.23Å
118V98.7Very high98.5Very high77 Ų7751.9 Ų51.947%0.46728%0.28SS..EExtended strand (participates in β ladder)trans-98.9-41.4166.6178.30000109.5T122 E124V118-T122 HydrophobicContact CB-CG2 3.89Å; V118-T122 HydrophobicContact CG1-CG2 4.34Å; V118-T122 HydrophobicContact CG2-CG2 4.2Å; V118-T122 PolarHBondContact N-O 3.2Å; V118-E124 HydrophobicContact CG2-CB 3.89Å
119D98.4Very high98.5Very high67 Ų6754 Ų5436%0.35829%0.294SS..EExtended strand (participates in β ladder)trans-155.6-171.6172.861.253.2000109.1F117 K121 T122F117-D119 WeakPolarHBondContact CD1-O 3.48Å; D119-K121 PolarHBondContact O-N 3.36Å; D119-K121 VanDerWaalsContact O-N 3.12Å; D119-K121 PolarHBondContact OD1-N 3.05Å; D119-T122 VanDerWaalsContact CG-OG1 3.28Å; D119-T122 PolarHBondContact N-O 3.01Å; D119-T122 PolarHBondContact O-N 2.62Å; D119-T122 VanDerWaalsContact OD1-CB 3.24Å; D119-T122 WeakPolarHBondContact OD1-CB 3.47Å; D119-T122 PolarHBondContact OD1-N 3.47Å; D119-T122 PolarHBondContact OD1-OG1 2.85Å; D119-T122 WeakPolarHBondContact OD2-CB 3.39Å; D119-T122 PolarHBondContact OD2-OG1 3.01Å
120A98.2Very high98.5Very high28 Ų2850.6 Ų50.623%0.23128%0.275CS..THydrogen-bonded Turntrans-62.7-16.8-176.400000116I295 I298A120-I295 HydrophobicContact CB-CG2 4.07Å; A120-I298 HydrophobicContact CB-CD1 4.33Å; A120-I298 WeakPolarHBondContact O-CD1 3.37Å
121K98.1Very high98.5Very high68 Ų6848.6 Ų48.630%0.29626%0.263SS..THydrogen-bonded Turntrans-127.94.4-177.9-63.7-67169.4-1710113.6D119 T131 A132 D133 E296 G297D119-K121 PolarHBondContact O-N 3.36Å; D119-K121 VanDerWaalsContact O-N 3.12Å; D119-K121 PolarHBondContact OD1-N 3.05Å; K121-T131 VanDerWaalsContact O-CA 3.24Å; K121-T131 WeakPolarHBondContact O-CA 3.25Å; K121-T131 WeakPolarHBondContact O-CB 3.37Å; K121-A132 WeakPolarHBondContact CD-O 3.41Å; K121-A132 PolarHBondContact O-N 3.28Å; K121-D133 PolarHBondContact NZ-O 2.97Å; K121-E296 WeakPolarHBondContact CE-O 3.48Å; K121-E296 PolarHBondContact NZ-O 3.48Å; K121-G297 VanDerWaalsContact NZ-CA 3.31Å; K121-G297 PolarHBondContact NZ-O 3.14Å
122T98.6Very high98.5Very high18 Ų1847.2 Ų47.211%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-129131.1-172.6-51.40000110.9V118 D119 T129 I130 T131V118-T122 HydrophobicContact CB-CG2 3.89Å; V118-T122 HydrophobicContact CG1-CG2 4.34Å; V118-T122 HydrophobicContact CG2-CG2 4.2Å; V118-T122 PolarHBondContact N-O 3.2Å; D119-T122 VanDerWaalsContact CG-OG1 3.28Å; D119-T122 PolarHBondContact N-O 3.01Å; D119-T122 PolarHBondContact O-N 2.62Å; D119-T122 VanDerWaalsContact OD1-CB 3.24Å; D119-T122 WeakPolarHBondContact OD1-CB 3.47Å; D119-T122 PolarHBondContact OD1-N 3.47Å; D119-T122 PolarHBondContact OD1-OG1 2.85Å; D119-T122 WeakPolarHBondContact OD2-CB 3.39Å; D119-T122 PolarHBondContact OD2-OG1 3.01Å; T122-T129 HydrophobicContact CG2-CG2 3.22Å; T122-I130 WeakPolarHBondContact CA-O 3.37Å; T122-T131 HydrophobicContact CG2-CG2 4.05Å
123L98.8Very high98.5Very high1 Ų145.5 Ų45.51%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-117.7151.4173.7-58.7173.7000110.3I8 I10 I33 R116 F117 T129 I130 I135I8-L123 HydrophobicContact CB-CD1 4.48Å; I8-L123 HydrophobicContact CD1-CD1 4.39Å; I8-L123 HydrophobicContact CG2-CD1 3.66Å; I10-L123 HydrophobicContact CD1-CD1 3.78Å; I10-L123 HydrophobicContact CD1-CD2 3.71Å; I10-L123 HydrophobicContact CD1-CG 4.42Å; I10-L123 HydrophobicContact CG1-CD1 3.83Å; I33-L123 HydrophobicContact CD1-CD1 3.97Å; R116-L123 CarbonylContact O-C 3.59Å; R116-L123 WeakPolarHBondContact O-CA 3.34Å; F117-L123 HydrophobicContact CB-CD2 4.32Å; F117-L123 HydrophobicContact CD1-CD2 3.35Å; F117-L123 HydrophobicContact CD2-CD2 4.07Å; F117-L123 HydrophobicContact CE1-CD2 3.57Å; F117-L123 HydrophobicContact CE2-CD2 4.23Å; F117-L123 HydrophobicContact CG-CD2 3.64Å; F117-L123 HydrophobicContact CZ-CD2 4Å; L123-T129 WeakPolarHBondContact O-CA 3.24Å; L123-I130 HydrophobicContact CB-CD1 4.46Å; L123-I130 HydrophobicContact CB-CG1 3.95Å; L123-I130 PolarHBondContact N-O 2.85Å; L123-I130 PolarHBondContact O-N 3.45Å; L123-I135 HydrophobicContact CD1-CG2 4.48Å; L123-I135 HydrophobicContact CG-CD1 4.34Å
124E98.6Very high98.5Very high58 Ų5847.5 Ų47.527%0.27126%0.26SS..EExtended strand (participates in β ladder)trans-110.8135.1165.3-177.7-81.9127.100109.2A115 R116 V118 N126 G127 E128A115-E124 VanDerWaalsContact CA-O 3.3Å; A115-E124 WeakPolarHBondContact CA-O 3.37Å; R116-E124 PolarHBondContact N-O 2.87Å; R116-E124 PolarHBondContact O-N 3.22Å; V118-E124 HydrophobicContact CG2-CB 3.89Å; E124-N126 PolarHBondContact OE1-N 3.13Å; E124-N126 VanDerWaalsContact OE1-N 3.1Å; E124-G127 WeakPolarHBondContact OE1-CA 3.18Å; E124-G127 PolarHBondContact OE1-N 2.79Å; E124-E128 WeakPolarHBondContact CA-O 3.47Å
125V98.6Very high98.5Very high3 Ų343.2 Ų43.22%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-146.1126.5171.158.80000109.7I33 I111 G127 E128 I130I33-V125 HydrophobicContact CD1-CG1 4.47Å; I33-V125 HydrophobicContact CG2-CG2 3.93Å; I111-V125 HydrophobicContact CD1-CG1 4.41Å; I111-V125 HydrophobicContact CG2-CG1 3.99Å; I111-V125 HydrophobicContact CG2-CG2 3.9Å; V125-G127 PolarHBondContact O-N 3.49Å; V125-E128 PolarHBondContact N-O 2.88Å; V125-E128 PolarHBondContact O-N 3.41Å; V125-I130 HydrophobicContact CG1-CD1 3.81Å
126N98.2Very high98.5Very high115 Ų11543 Ų4362%0.61524%0.239SC*.THydrogen-bonded Turntrans54.733.4179.7-57.2-29.7000114.2K112 E124 E128K112-N126 PolarHBondContact O-ND2 3.03Å; E124-N126 PolarHBondContact OE1-N 3.13Å; E124-N126 VanDerWaalsContact OE1-N 3.1Å; N126-E128 VanDerWaalsContact C-N 3.25Å; N126-E128 PolarHBondContact O-N 2.93Å
127G97.2Very high98.5Very high68 Ų6837.9 Ų37.970%0.70122%0.22SC*.THydrogen-bonded Turntrans79.4-3.1-175.700000114.7E124 V125E124-G127 WeakPolarHBondContact OE1-CA 3.18Å; E124-G127 PolarHBondContact OE1-N 2.79Å; V125-G127 PolarHBondContact O-N 3.49Å
128E97.9Very high98.5Very high70 Ų7038.2 Ų38.233%0.32722%0.223SC..EExtended strand (participates in β ladder)trans-92.8134.2175.6-171.1178164.900110.6K3 E124 V125 N126 I130K3-E128 WeakPolarHBondContact CD-OE1 3.22Å; K3-E128 WeakPolarHBondContact CE-OE1 3.34Å; K3-E128 WeakPolarHBondContact CG-OE1 3.27Å; K3-E128 IonicContact NZ-OE1 2.91Å; K3-E128 PolarHBondContact NZ-OE1 3.43Å; K3-E128 IonicContact NZ-OE2 3.88Å; K3-E128 PolarHBondContact NZ-OE2 3.03Å; K3-E128 VanDerWaalsContact NZ-OE2 3.08Å; E124-E128 WeakPolarHBondContact CA-O 3.47Å; V125-E128 PolarHBondContact N-O 2.88Å; V125-E128 PolarHBondContact O-N 3.41Å; N126-E128 VanDerWaalsContact C-N 3.25Å; N126-E128 PolarHBondContact O-N 2.93Å; E128-I130 HydrophobicContact CG-CG2 4.18Å
129T98.4Very high98.5Very high55 Ų5536.1 Ų36.134%0.33721%0.211SC..EExtended strand (participates in β ladder)trans-90.1130.5170.1-53.10000110.2T2 T122 L123T2-T129 HydrophobicContact CG2-CG2 3.95Å; T2-T129 WeakPolarHBondContact CG2-O 3.24Å; T122-T129 HydrophobicContact CG2-CG2 3.22Å; L123-T129 WeakPolarHBondContact O-CA 3.24Å
130I98.6Very high98.5Very high0 Ų033.6 Ų33.60%020%0.2CC..EExtended strand (participates in β ladder)trans-132.4151.1177.161.4-178.5000110.2K3 I8 I33 I111 T122 L123 V125 E128K3-I130 HydrophobicContact CB-CG2 4.15Å; K3-I130 WeakPolarHBondContact O-CA 3.29Å; I8-I130 HydrophobicContact CD1-CB 4.44Å; I8-I130 HydrophobicContact CD1-CD1 4.01Å; I8-I130 HydrophobicContact CD1-CG1 4.05Å; I33-I130 HydrophobicContact CD1-CD1 3.61Å; I33-I130 HydrophobicContact CG1-CD1 4.43Å; I111-I130 HydrophobicContact CD1-CD1 4.18Å; T122-I130 WeakPolarHBondContact CA-O 3.37Å; L123-I130 HydrophobicContact CB-CD1 4.46Å; L123-I130 HydrophobicContact CB-CG1 3.95Å; L123-I130 PolarHBondContact N-O 2.85Å; L123-I130 PolarHBondContact O-N 3.45Å; V125-I130 HydrophobicContact CG1-CD1 3.81Å; E128-I130 HydrophobicContact CG-CG2 4.18Å
131T98.8Very high98.6Very high27 Ų2732.9 Ų32.917%0.16620%0.196CC..EExtended strand (participates in β ladder)trans-131.1155.9-177.856.90000111.3T2 K3 H4 Y5 K121 T122T2-T131 HydrophobicContact CG2-CG2 3.62Å; K3-T131 PolarHBondContact O-N 2.93Å; K3-T131 PolarHBondContact O-OG1 3.09Å; H4-T131 WeakPolarHBondContact CA-O 3.21Å; H4-T131 PolarHBondContact ND1-OG1 2.74Å; Y5-T131 PolarHBondContact N-O 3.35Å; K121-T131 VanDerWaalsContact O-CA 3.24Å; K121-T131 WeakPolarHBondContact O-CA 3.25Å; K121-T131 WeakPolarHBondContact O-CB 3.37Å; T122-T131 HydrophobicContact CG2-CG2 4.05Å
132A98.8Very high98.6Very high2 Ų233.4 Ų33.42%0.01720%0.196CC..EExtended strand (participates in β ladder)trans-151.8155.5169.500000113.7Y5 I8 K121 H134 I135Y5-A132 WeakPolarHBondContact O-CA 3.4Å; Y5-A132 VanDerWaalsContact O-CB 3.29Å; Y5-A132 WeakPolarHBondContact O-CB 3.48Å; I8-A132 HydrophobicContact CB-CB 4.18Å; I8-A132 HydrophobicContact CD1-CB 3.62Å; I8-A132 HydrophobicContact CG1-CB 3.66Å; K121-A132 WeakPolarHBondContact CD-O 3.41Å; K121-A132 PolarHBondContact O-N 3.28Å; A132-H134 VanDerWaalsContact C-N 3.34Å; A132-H134 WeakPolarHBondContact CB-O 3.24Å; A132-I135 HydrophobicContact CB-CG1 4.27Å
133D98.6Very high98.6Very high85 Ų8533.1 Ų33.146%0.45519%0.194SC..EExtended strand (participates in β ladder)trans-66.5-40.1172.4-67.1-25000111.1H4 Y5 K121H4-D133 IonicContact CE1-OD1 2.72Å; H4-D133 PolarHBondContact CE1-OD1 3.4Å; H4-D133 IonicContact NE2-OD1 3.2Å; H4-D133 IonicContact NE2-OD2 2.75Å; Y5-D133 PolarHBondContact O-N 3.44Å; K121-D133 PolarHBondContact NZ-O 2.97Å
134H98.9Very high98.6Very high50 Ų5034.1 Ų34.123%0.23120%0.201CC..EExtended strand (participates in β ladder)trans-120.7132.7179.3-63-76.7000111.3D6 Y7 I8 A132 G297 Y299 F326D6-H134 WeakPolarHBondContact O-CB 3.38Å; D6-H134 PolarHBondContact O-N 2.93Å; D6-H134 VanDerWaalsContact O-N 3.08Å; Y7-H134 WeakPolarHBondContact CA-O 3.39Å; Y7-H134 HydrophobicContact CD2-CB 3.54Å; Y7-H134 WeakPolarHBondContact CD2-O 3.49Å; Y7-H134 HydrophobicContact CE2-CB 4.17Å; Y7-H134 HydrophobicContact CG-CB 4.4Å; I8-H134 PolarHBondContact N-O 3.15Å; A132-H134 VanDerWaalsContact C-N 3.34Å; A132-H134 WeakPolarHBondContact CB-O 3.24Å; H134-G297 WeakPolarHBondContact CA-O 3.37Å; H134-Y299 HydrophobicContact CB-CE2 3.89Å; H134-Y299 PolarHBondContact CE1-OH 2.82Å; H134-Y299 AromaticContact ND1-CE2 3.53Å; H134-Y299 AromaticContact ND1-CZ 3.59Å; H134-Y299 PolarHBondContact ND1-OH 2.69Å; H134-F326 HydrophobicContact CB-CZ 4.23Å; H134-F326 AromaticContact CD2-CE1 3.73Å
135I98.9Very high98.6Very high0 Ų035.7 Ų35.70%021%0.209CC..EExtended strand (participates in β ladder)trans-126.5126.8176.2-60.8175.7000109.9I8 I10 F117 L123 A132 G297 I298 Y299I8-I135 CarbonylContact O-C 3.18Å; I8-I135 WeakPolarHBondContact O-CA 3.42Å; I10-I135 HydrophobicContact CD1-CG2 4.2Å; I10-I135 HydrophobicContact CG1-CG2 4.49Å; F117-I135 HydrophobicContact CE1-CD1 3.96Å; F117-I135 HydrophobicContact CE1-CG2 4.03Å; F117-I135 HydrophobicContact CZ-CG2 3.86Å; L123-I135 HydrophobicContact CD1-CG2 4.48Å; L123-I135 HydrophobicContact CG-CD1 4.34Å; A132-I135 HydrophobicContact CB-CG1 4.27Å; I135-G297 PolarHBondContact N-O 3.15Å; I135-I298 CarbonylContact O-C 3.37Å; I135-I298 WeakPolarHBondContact O-CA 3.49Å; I135-Y299 WeakPolarHBondContact O-CD2 3.48Å; I135-Y299 PolarHBondContact O-N 2.7Å
136L99Very high98.6Very high0 Ų036.7 Ų36.70%022%0.215CC..EExtended strand (participates in β ladder)trans-104.3126.7171.7172.465.8000111Y7 I8 A9 I10 A138 V301 L321Y7-L136 HydrophobicContact CE2-CB 3.66Å; Y7-L136 WeakPolarHBondContact OH-CB 3.38Å; Y7-L136 VanDerWaalsContact OH-CD2 3.29Å; Y7-L136 WeakPolarHBondContact OH-CD2 3.15Å; I8-L136 PolarHBondContact O-N 2.97Å; A9-L136 CarbonylContact C-O 3.5Å; A9-L136 WeakPolarHBondContact CA-O 3.49Å; A9-L136 HydrophobicContact CB-CB 4.31Å; A9-L136 HydrophobicContact CB-CD2 4.26Å; I10-L136 PolarHBondContact N-O 2.95Å; L136-A138 HydrophobicContact CD2-CB 4.15Å; L136-A138 HydrophobicContact CG-CB 4.13Å; L136-V301 HydrophobicContact CD1-CB 4.31Å; L136-V301 HydrophobicContact CD1-CG1 3.89Å; L136-V301 HydrophobicContact CD1-CG2 3.88Å; L136-V301 HydrophobicContact CD2-CG2 4.05Å; L136-V301 HydrophobicContact CG-CG2 4.45Å; L136-L321 HydrophobicContact CD1-CD2 3.87Å
137I98.9Very high98.6Very high0 Ų039.2 Ų39.20%023%0.229CC..EExtended strand (participates in β ladder)trans-97.1104.3170.6-48.2172.2000108F117 T139 I270 L272 I285 I298 Y299 A300 V301 N304F117-I137 HydrophobicContact CE2-CD1 3.77Å; F117-I137 HydrophobicContact CE2-CG1 4.07Å; F117-I137 HydrophobicContact CZ-CD1 3.81Å; F117-I137 HydrophobicContact CZ-CG1 3.93Å; I137-T139 HydrophobicContact CG2-CG2 3.81Å; I137-I270 HydrophobicContact CG2-CD1 3.8Å; I137-L272 HydrophobicContact CD1-CD1 4.24Å; I137-I285 HydrophobicContact CB-CD1 4Å; I137-I285 HydrophobicContact CD1-CD1 3.88Å; I137-I285 HydrophobicContact CG2-CD1 3.7Å; I137-I298 HydrophobicContact CD1-CG2 3.75Å; I137-I298 HydrophobicContact CG1-CG2 4.1Å; I137-Y299 PolarHBondContact N-O 3.36Å; I137-A300 HydrophobicContact CB-CB 4.37Å; I137-A300 VanDerWaalsContact O-CA 3.28Å; I137-A300 WeakPolarHBondContact O-CA 3.45Å; I137-V301 PolarHBondContact O-N 3.04Å; I137-N304 PolarHBondContact O-ND2 3.18Å
138A98.9Very high98.7Very high10 Ų1037.3 Ų37.38%0.08320%0.202CC..  trans-123.543.4-179.800000111.1I10 L136 G140 V301I10-A138 CarbonylContact O-C 3.46Å; I10-A138 VanDerWaalsContact O-C 3.22Å; I10-A138 WeakPolarHBondContact O-CA 3.4Å; I10-A138 PolarHBondContact O-N 2.86Å; L136-A138 HydrophobicContact CD2-CB 4.15Å; L136-A138 HydrophobicContact CG-CB 4.13Å; A138-G140 VanDerWaalsContact C-N 3.25Å; A138-G140 PolarHBondContact O-N 3.46Å; A138-V301 HydrophobicContact CB-CG2 4.19Å
139T98.8Very high98.7Very high33 Ų3338.5 Ų38.520%0.20222%0.216CC..  trans-73.3-11.5-170.747.80000114.5I10 I137 A266 N267 I270 N304I10-T139 HydrophobicContact CB-CG2 4.49Å; I10-T139 HydrophobicContact CG2-CG2 3.8Å; I10-T139 PolarHBondContact O-N 2.93Å; I137-T139 HydrophobicContact CG2-CG2 3.81Å; T139-A266 WeakPolarHBondContact CB-O 3.35Å; T139-A266 PolarHBondContact OG1-O 3.46Å; T139-N267 PolarHBondContact OG1-OD1 2.73Å; T139-I270 HydrophobicContact CG2-CD1 4.21Å; T139-N304 PolarHBondContact OG1-ND2 2.91Å
140G98.7Very high98.7Very high14 Ų1436.3 Ų36.314%0.14420%0.204CC..  trans65.8-142.1179.600000113A138 A266 N304A138-G140 VanDerWaalsContact C-N 3.25Å; A138-G140 PolarHBondContact O-N 3.46Å; G140-A266 PolarHBondContact O-N 2.89Å; G140-N304 WeakPolarHBondContact O-CB 3.4Å
141G98.5Very high98.7Very high13 Ų1337.9 Ų37.913%0.13421%0.214CC..EExtended strand (participates in β ladder)trans-146.9-175.2179.200000112.4R263 E264G141-R263 VanDerWaalsContact C-NH2 3.28Å; G141-R263 PolarHBondContact O-NH2 2.78Å; G141-E264 CarbonylContact C-O 3.53Å; G141-E264 WeakPolarHBondContact CA-O 3.43Å
142R98.8Very high98.7Very high79 Ų7942.8 Ų42.830%0.29824%0.235SC..EExtended strand (participates in β ladder)trans-141.3158.9-179.561.9-173.2176.2-118.10.1111.1R263 E264 D268R142-R263 CarbonylContact O-C 3.51Å; R142-R263 WeakPolarHBondContact O-CA 3.47Å; R142-R263 WeakPolarHBondContact O-CB 3.29Å; R142-E264 HydrophobicContact CG-CG 3.57Å; R142-E264 IonicContact CZ-OE1 3.42Å; R142-E264 VanDerWaalsContact CZ-OE1 3.28Å; R142-E264 PolarHBondContact N-O 2.99Å; R142-E264 IonicContact NE-OE1 3.68Å; R142-E264 PolarHBondContact NE-OE1 2.95Å; R142-E264 IonicContact NH2-OE1 2.69Å; R142-E264 PolarHBondContact NH2-OE1 3.44Å; R142-E264 PolarHBondContact O-N 2.98Å; R142-D268 IonicContact CZ-OD1 3.34Å; R142-D268 IonicContact CZ-OD2 2.83Å; R142-D268 IonicContact NH1-OD1 2.93Å; R142-D268 PolarHBondContact NH1-OD1 2.91Å; R142-D268 IonicContact NH1-OD2 3.16Å; R142-D268 PolarHBondContact NH1-OD2 2.83Å; R142-D268 VanDerWaalsContact NH2-CG 3.34Å; R142-D268 IonicContact NH2-OD1 3.28Å; R142-D268 IonicContact NH2-OD2 3.19Å; R142-D268 PolarHBondContact NH2-OD2 3.27Å
143P98.7Very high98.7Very high12 Ų1247.1 Ų47.18%0.07825%0.251CS..EExtended strand (participates in β ladder)trans-61.1139.4175.2-2235.1000112.2D156P143-D156 HydrophobicContact CB-CB 3.62Å; P143-D156 WeakPolarHBondContact CB-OD2 3.34Å; P143-D156 HydrophobicContact CG-CB 4Å; P143-D156 WeakPolarHBondContact CG-OD2 3.39Å
144S98.6Very high98.7Very high22 Ų2243.5 Ų43.515%0.15423%0.234CC..  trans-92.9148.2172.4-63.20000111I261 G262 E264S144-I261 WeakPolarHBondContact O-CG1 3.27Å; S144-G262 PolarHBondContact N-O 2.75Å; S144-E264 PolarHBondContact OG-OE2 3.36Å
145H98.7Very high98.7Very high91 Ų9143.4 Ų43.442%0.42124%0.235SC..  trans-117.8143.7-179.8-66.283.4000110.4V151 D156 W259H145-V151 HydrophobicContact CB-CG2 3.91Å; H145-D156 IonicContact CE1-OD2 3.79Å; H145-D156 PolarHBondContact CE1-OD2 2.88Å; H145-D156 IonicContact NE2-OD2 3.97Å; H145-W259 AromaticContact CD2-CD1 3.73Å
146P98.3Very high98.7Very high24 Ų2444.6 Ų44.616%0.15624%0.242CC..  trans-72.3149177.330.5-35000111.7I148 V151 W259 I261P146-I148 HydrophobicContact CB-CD1 4.37Å; P146-I148 HydrophobicContact CB-CG1 4.18Å; P146-I148 HydrophobicContact CG-CD1 4.1Å; P146-I148 HydrophobicContact CG-CG1 4.04Å; P146-I148 PolarHBondContact O-N 3.44Å; P146-V151 HydrophobicContact CG-CG2 3.93Å; P146-V151 WeakPolarHBondContact O-CG2 3.32Å; P146-W259 HydrophobicContact CG-CD2 3.76Å; P146-W259 HydrophobicContact CG-CE3 3.75Å; P146-W259 HydrophobicContact CG-CG 4.49Å; P146-W259 HydrophobicContact CG-CH2 3.93Å; P146-W259 HydrophobicContact CG-CZ2 3.88Å; P146-W259 HydrophobicContact CG-CZ3 3.84Å; P146-I261 HydrophobicContact CB-CD1 4.03Å; P146-I261 HydrophobicContact CG-CD1 4.36Å
147D98.5Very high98.7Very high168 Ų16845 Ų4590%0.89825%0.245SC*.SBendtrans-88.680172.2-173.720.3000110.3
148I98.8Very high98.7Very high29 Ų2947.2 Ų47.215%0.14926%0.256CS..SBendtrans-140.7154.8179.262.7175.5000111.1P146 G150 V151 P231 W259P146-I148 HydrophobicContact CB-CD1 4.37Å; P146-I148 HydrophobicContact CB-CG1 4.18Å; P146-I148 HydrophobicContact CG-CD1 4.1Å; P146-I148 HydrophobicContact CG-CG1 4.04Å; P146-I148 PolarHBondContact O-N 3.44Å; I148-G150 PolarHBondContact O-N 3.44Å; I148-V151 HydrophobicContact CG1-CB 4.4Å; I148-V151 WeakPolarHBondContact O-CB 3.42Å; I148-V151 PolarHBondContact O-N 3.05Å; I148-P231 HydrophobicContact CD1-CB 3.77Å; I148-W259 HydrophobicContact CD1-CH2 3.72Å; I148-W259 HydrophobicContact CD1-CZ2 4.15Å
149P98.8Very high98.7Very high95 Ų9547.6 Ų47.662%0.61726%0.261SS*.THydrogen-bonded Turntrans-57.4131174.2-24.635000112.8A233 V234P149-A233 HydrophobicContact CB-CB 4.34Å; P149-A233 WeakPolarHBondContact O-CA 3.43Å; P149-V234 PolarHBondContact O-N 3.41Å
150G98.6Very high98.7Very high8 Ų846.1 Ų46.18%0.08225%0.252CS..THydrogen-bonded Turntrans81.810.5178.600000115.1I148 E152 Y153 V234I148-G150 PolarHBondContact O-N 3.44Å; G150-E152 VanDerWaalsContact CA-OE2 3.29Å; G150-E152 WeakPolarHBondContact CA-OE2 3.38Å; G150-E152 PolarHBondContact O-N 3.18Å; G150-E152 VanDerWaalsContact O-N 3.12Å; G150-Y153 WeakPolarHBondContact O-CB 3.48Å; G150-Y153 WeakPolarHBondContact O-CD2 3.44Å; G150-Y153 PolarHBondContact O-N 3.31Å; G150-V234 WeakPolarHBondContact CA-O 3.41Å
151V98.7Very high98.7Very high33 Ų3346.1 Ų46.120%0.225%0.248CC..G310 helixtrans-49.7-37176.259.50000112.6H145 P146 I148 Y153 G154 W259H145-V151 HydrophobicContact CB-CG2 3.91Å; P146-V151 HydrophobicContact CG-CG2 3.93Å; P146-V151 WeakPolarHBondContact O-CG2 3.32Å; I148-V151 HydrophobicContact CG1-CB 4.4Å; I148-V151 WeakPolarHBondContact O-CB 3.42Å; I148-V151 PolarHBondContact O-N 3.05Å; V151-Y153 PolarHBondContact O-N 3.03Å; V151-G154 PolarHBondContact O-N 3.31Å; V151-W259 PolarHBondContact O-NE1 3.06Å
152E98.7Very high98.7Very high131 Ų13149.2 Ų49.261%0.61227%0.273SS*.G310 helixtrans-66.8-13.1-177.672.7-79.9-171.500114.4G150G150-E152 VanDerWaalsContact CA-OE2 3.29Å; G150-E152 WeakPolarHBondContact CA-OE2 3.38Å; G150-E152 PolarHBondContact O-N 3.18Å; G150-E152 VanDerWaalsContact O-N 3.12Å
153Y98.8Very high98.6Very high92 Ų9246.7 Ų46.736%0.36127%0.265SS..G310 helixtrans-81.7-21.5172.9-57.4-44.4000112.9G150 V151 V234 K236 L242G150-Y153 WeakPolarHBondContact O-CB 3.48Å; G150-Y153 WeakPolarHBondContact O-CD2 3.44Å; G150-Y153 PolarHBondContact O-N 3.31Å; V151-Y153 PolarHBondContact O-N 3.03Å; Y153-V234 HydrophobicContact CD2-CG1 4.26Å; Y153-K236 HydrophobicContact CD1-CB 4.21Å; Y153-K236 HydrophobicContact CD1-CD 3.88Å; Y153-K236 HydrophobicContact CD2-CB 3.92Å; Y153-K236 HydrophobicContact CE1-CB 3.99Å; Y153-K236 HydrophobicContact CE1-CD 3.72Å; Y153-K236 HydrophobicContact CE2-CB 3.65Å; Y153-K236 HydrophobicContact CG-CB 4.19Å; Y153-L242 HydrophobicContact CG-CD2 4.23Å; Y153-L242 WeakPolarHBondContact O-CD1 3.32Å
154G98.8Very high98.6Very high10 Ų1052 Ų5210%0.10330%0.299CS..SBendtrans-81.9150.4172.700000111.6V151 L257V151-G154 PolarHBondContact O-N 3.31Å; G154-L257 CarbonylContact C-O 3.52Å; G154-L257 VanDerWaalsContact CA-O 3.31Å; G154-L257 WeakPolarHBondContact CA-O 3.37Å
155I98.9Very high98.6Very high48 Ų4853.5 Ų53.525%0.24631%0.313CS..BIsolated β-bridgetrans-99.9175.1167.866.1178.4000109.6L163 C256 L257 I258 W259I155-L163 HydrophobicContact CD1-CD1 4.46Å; I155-L163 HydrophobicContact CD1-CD2 3.94Å; I155-L163 HydrophobicContact CD1-CG 4.18Å; I155-C256 WeakPolarHBondContact CD1-SG 3.23Å; I155-L257 WeakPolarHBondContact CG1-O 3.45Å; I155-L257 PolarHBondContact N-O 2.9Å; I155-I258 HydrophobicContact CD1-CG1 4.17Å; I155-I258 HydrophobicContact CG1-CG1 3.94Å; I155-I258 CarbonylContact O-C 3.59Å; I155-I258 WeakPolarHBondContact O-CA 3.25Å; I155-W259 PolarHBondContact O-N 3.03Å
156D98.9Very high98.6Very high25 Ų2551.1 Ų51.113%0.13430%0.303CS..  trans-115.7-165.1172.560.521.3000111.1P143 H145 D158 G159 F160P143-D156 HydrophobicContact CB-CB 3.62Å; P143-D156 WeakPolarHBondContact CB-OD2 3.34Å; P143-D156 HydrophobicContact CG-CB 4Å; P143-D156 WeakPolarHBondContact CG-OD2 3.39Å; H145-D156 IonicContact CE1-OD2 3.79Å; H145-D156 PolarHBondContact CE1-OD2 2.88Å; H145-D156 IonicContact NE2-OD2 3.97Å; D156-D158 VanDerWaalsContact C-N 3.25Å; D156-D158 PolarHBondContact O-N 2.94Å; D156-D158 WeakPolarHBondContact OD1-CA 3.18Å; D156-D158 WeakPolarHBondContact OD1-CB 3.4Å; D156-D158 PolarHBondContact OD1-N 2.85Å; D156-G159 PolarHBondContact O-N 2.93Å; D156-G159 PolarHBondContact OD1-N 3.06Å; D156-F160 PolarHBondContact O-N 3.09Å
157S98.7Very high98.6Very high9 Ų951 Ų516%0.06330%0.302CS..Hα-helixtrans-61.1-32.3175.356.90000113.5F160 F161S157-F160 WeakPolarHBondContact O-CB 3.38Å; S157-F160 PolarHBondContact O-N 3.45Å; S157-F161 WeakPolarHBondContact O-CD2 3.2Å; S157-F161 WeakPolarHBondContact O-CE2 3.35Å; S157-F161 PolarHBondContact O-N 2.85Å
158D98.6Very high98.6Very high45 Ų4550.2 Ų50.224%0.24129%0.293CS..Hα-helixtrans-71.1-44.4179.3-63.711.9000108.7V45 D156 F160 F161 A162V45-D158 HydrophobicContact CG1-CB 4.31Å; D156-D158 VanDerWaalsContact C-N 3.25Å; D156-D158 PolarHBondContact O-N 2.94Å; D156-D158 WeakPolarHBondContact OD1-CA 3.18Å; D156-D158 WeakPolarHBondContact OD1-CB 3.4Å; D156-D158 PolarHBondContact OD1-N 2.85Å; D158-F160 VanDerWaalsContact C-N 3.31Å; D158-F160 PolarHBondContact O-N 3.44Å; D158-F161 PolarHBondContact O-N 2.68Å; D158-F161 VanDerWaalsContact O-N 3.14Å; D158-A162 PolarHBondContact O-N 3.01Å
159G98.6Very high98.6Very high19 Ų1952.6 Ų52.620%0.19630%0.3CS..Hα-helixtrans-60.7-35.4173.600000113.6D156 F161 A162 L163D156-G159 PolarHBondContact O-N 2.93Å; D156-G159 PolarHBondContact OD1-N 3.06Å; G159-F161 VanDerWaalsContact C-N 3.3Å; G159-F161 PolarHBondContact O-N 3.26Å; G159-A162 CarbonylContact O-C 3.56Å; G159-A162 WeakPolarHBondContact O-CA 3.45Å; G159-A162 PolarHBondContact O-N 3.29Å; G159-L163 PolarHBondContact O-N 3.28Å; G159-L163 VanDerWaalsContact O-N 3.17Å
160F98.8Very high98.6Very high1 Ų148.1 Ų48.10%0.00427%0.271CS..Hα-helixtrans-56.7-44.3173.1167.1-100.7000111.6M53 D156 S157 D158 A162 L163 L182 V185 I186 I258M53-F160 HydrophobicContact CG-CE1 4.36Å; D156-F160 PolarHBondContact O-N 3.09Å; S157-F160 WeakPolarHBondContact O-CB 3.38Å; S157-F160 PolarHBondContact O-N 3.45Å; D158-F160 VanDerWaalsContact C-N 3.31Å; D158-F160 PolarHBondContact O-N 3.44Å; F160-A162 PolarHBondContact O-N 3.19Å; F160-L163 HydrophobicContact CD2-CD1 3.78Å; F160-L163 HydrophobicContact CE2-CD1 4.34Å; F160-L163 WeakPolarHBondContact O-CB 3.35Å; F160-L163 WeakPolarHBondContact O-CG 3.19Å; F160-L163 PolarHBondContact O-N 3.29Å; F160-L182 HydrophobicContact CB-CD1 4.18Å; F160-L182 HydrophobicContact CD1-CD1 4.28Å; F160-L182 HydrophobicContact CD1-CD2 3.45Å; F160-L182 VanDerWaalsContact CD1-CD2 3.45Å; F160-L182 HydrophobicContact CD1-CG 4.49Å; F160-L182 HydrophobicContact CD2-CD2 4.48Å; F160-L182 HydrophobicContact CE1-CD2 3.45Å; F160-L182 VanDerWaalsContact CE1-CD2 3.45Å; F160-L182 HydrophobicContact CE2-CD2 4.49Å; F160-L182 HydrophobicContact CG-CD1 4.13Å; F160-L182 HydrophobicContact CG-CD2 4Å; F160-L182 HydrophobicContact CZ-CD2 4Å; F160-V185 HydrophobicContact CZ-CG1 4.27Å; F160-I186 HydrophobicContact CD2-CD1 3.94Å; F160-I186 HydrophobicContact CD2-CG1 4.35Å; F160-I186 HydrophobicContact CE2-CD1 3.72Å; F160-I186 HydrophobicContact CE2-CG1 3.63Å; F160-I186 HydrophobicContact CZ-CG1 4.4Å; F160-I258 HydrophobicContact CB-CD1 4.25Å; F160-I258 HydrophobicContact CD2-CD1 3.94Å; F160-I258 HydrophobicContact CG-CD1 4.47Å
161F98.6Very high98.7Very high15 Ų1547.7 Ų47.77%0.06627%0.267CS..Hα-helixtrans-71-17.2177.5-64.2-61.3000113.1V45 P49 K50 M53 R88 S157 D158 G159V45-F161 HydrophobicContact CB-CD2 3.91Å; V45-F161 HydrophobicContact CB-CE2 4.45Å; V45-F161 HydrophobicContact CG1-CD2 4.35Å; V45-F161 VanDerWaalsContact O-CE2 3.24Å; V45-F161 WeakPolarHBondContact O-CE2 3.38Å; P49-F161 HydrophobicContact CB-CD1 3.64Å; P49-F161 HydrophobicContact CB-CE1 3.6Å; P49-F161 HydrophobicContact CB-CG 4.34Å; P49-F161 HydrophobicContact CB-CZ 4.27Å; P49-F161 HydrophobicContact CG-CD1 4.02Å; P49-F161 HydrophobicContact CG-CD2 4.49Å; P49-F161 HydrophobicContact CG-CE1 3.84Å; P49-F161 HydrophobicContact CG-CE2 4.34Å; P49-F161 HydrophobicContact CG-CG 4.35Å; P49-F161 HydrophobicContact CG-CZ 4.01Å; K50-F161 HydrophobicContact CB-CE1 4.48Å; K50-F161 HydrophobicContact CB-CZ 4.04Å; M53-F161 HydrophobicContact CG-CE1 4.49Å; R88-F161 PolarHBondContact NH2-O 3.12Å; S157-F161 WeakPolarHBondContact O-CD2 3.2Å; S157-F161 WeakPolarHBondContact O-CE2 3.35Å; S157-F161 PolarHBondContact O-N 2.85Å; D158-F161 PolarHBondContact O-N 2.68Å; D158-F161 VanDerWaalsContact O-N 3.14Å; G159-F161 VanDerWaalsContact C-N 3.3Å; G159-F161 PolarHBondContact O-N 3.26Å
162A98.5Very high98.7Very high78 Ų7846.1 Ų46.165%0.64526%0.258SS*.THydrogen-bonded Turntrans-92.80.517600000114.3D158 G159 F160D158-A162 PolarHBondContact O-N 3.01Å; G159-A162 CarbonylContact O-C 3.56Å; G159-A162 WeakPolarHBondContact O-CA 3.45Å; G159-A162 PolarHBondContact O-N 3.29Å; F160-A162 PolarHBondContact O-N 3.19Å
163L98.5Very high98.7Very high25 Ų2540.1 Ų40.113%0.13123%0.23CC..  trans-58.1129-178.5-78.8171000112.2W81 I155 G159 F160 A165 P167W81-L163 HydrophobicContact CZ2-CB 4.12Å; W81-L163 PolarHBondContact NE1-O 3.11Å; I155-L163 HydrophobicContact CD1-CD1 4.46Å; I155-L163 HydrophobicContact CD1-CD2 3.94Å; I155-L163 HydrophobicContact CD1-CG 4.18Å; G159-L163 PolarHBondContact O-N 3.28Å; G159-L163 VanDerWaalsContact O-N 3.17Å; F160-L163 HydrophobicContact CD2-CD1 3.78Å; F160-L163 HydrophobicContact CE2-CD1 4.34Å; F160-L163 WeakPolarHBondContact O-CB 3.35Å; F160-L163 WeakPolarHBondContact O-CG 3.19Å; F160-L163 PolarHBondContact O-N 3.29Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-P167 HydrophobicContact CD1-CG 4.33Å; L163-P167 HydrophobicContact CD2-CG 4.21Å
164P98.1Very high98.7Very high124 Ų12436.1 Ų36.181%0.80522%0.217SC*.SBendtrans-77.5-19.4179.631.7-35.5000113W81W81-P164 VanDerWaalsContact CD1-O 3.27Å
165A98.5Very high98.7Very high54 Ų5437.4 Ų37.445%0.44623%0.226SC..SBendtrans-154.5162176.500000109.5L163 P167L163-A165 VanDerWaalsContact C-N 3.32Å; A165-P167 WeakPolarHBondContact O-CD 3.4Å
166L98.6Very high98.7Very high40 Ų4036.8 Ų36.821%0.20923%0.232CC..  trans-70.7119.4168.3179.564.8000109.2F79 W81 I186 L189 A191F79-L166 HydrophobicContact CE1-CB 4.41Å; F79-L166 HydrophobicContact CE1-CD2 4.05Å; W81-L166 HydrophobicContact CD2-CB 4.41Å; W81-L166 HydrophobicContact CE3-CB 3.77Å; W81-L166 HydrophobicContact CH2-CD1 4.48Å; W81-L166 HydrophobicContact CZ3-CB 3.84Å; W81-L166 HydrophobicContact CZ3-CD1 4.1Å; W81-L166 HydrophobicContact CZ3-CG 4.47Å; L166-I186 HydrophobicContact CD1-CG2 4.26Å; L166-L189 HydrophobicContact CD2-CB 3.98Å; L166-L189 WeakPolarHBondContact CD2-O 3.32Å; L166-A191 HydrophobicContact CD1-CB 3.99Å; L166-A191 HydrophobicContact CD2-CB 4.3Å; L166-A191 HydrophobicContact CG-CB 4.13Å
167P98.5Very high98.6Very high21 Ų2139.8 Ų39.814%0.13624%0.242CC..  trans-68.7149.7174.6-1428.9000111.1L163 A165 V170 A191 D255 C256L163-P167 HydrophobicContact CD1-CG 4.33Å; L163-P167 HydrophobicContact CD2-CG 4.21Å; A165-P167 WeakPolarHBondContact O-CD 3.4Å; P167-V170 HydrophobicContact CB-CG2 3.81Å; P167-V170 HydrophobicContact CG-CG2 3.99Å; P167-A191 WeakPolarHBondContact O-CB 3.45Å; P167-D255 HydrophobicContact CB-CB 4.09Å; P167-C256 HydrophobicContact CB-CB 3.77Å; P167-C256 HydrophobicContact CG-CB 3.51Å
168E98.6Very high98.6Very high152 Ų15241 Ų4171%0.7125%0.247SC*.SBendtrans-70.3-41.2-178.9-63.2-177.817600112.1K192E168-K192 PolarHBondContact O-N 2.75Å
169R98.9Very high98.6Very high79 Ų7938.9 Ų38.930%0.29824%0.236SC..EExtended strand (participates in β ladder)trans-124.3127.3178.6-58.3161.7-70.1-174.5-1.6110.1K192 V254 D255 C256R169-K192 WeakPolarHBondContact CA-O 3.46Å; R169-K192 HydrophobicContact CG-CB 4.24Å; R169-K192 HydrophobicContact CG-CD 4.42Å; R169-V254 HydrophobicContact CB-CB 4.17Å; R169-V254 HydrophobicContact CB-CG1 4.25Å; R169-D255 WeakPolarHBondContact CB-OD2 3.44Å; R169-D255 IonicContact CZ-OD1 3.5Å; R169-D255 IonicContact CZ-OD2 3.62Å; R169-D255 PolarHBondContact N-OD2 2.97Å; R169-D255 IonicContact NE-OD1 3.55Å; R169-D255 IonicContact NE-OD2 2.87Å; R169-D255 PolarHBondContact NE-OD2 3.26Å; R169-D255 IonicContact NH2-OD1 2.68Å; R169-D255 PolarHBondContact NH2-OD1 2.89Å; R169-D255 IonicContact NH2-OD2 3.52Å; R169-D255 PolarHBondContact O-N 3.27Å; R169-C256 PolarHBondContact O-N 3.03Å
170V98.9Very high98.6Very high1 Ų138 Ų381%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-129.9130-177.1-174.30000111.5P167 V172 I186 A191 K192 T193 H194 C256 I258P167-V170 HydrophobicContact CB-CG2 3.81Å; P167-V170 HydrophobicContact CG-CG2 3.99Å; V170-V172 HydrophobicContact CG1-CG2 4.11Å; V170-I186 HydrophobicContact CB-CG2 3.89Å; V170-I186 HydrophobicContact CG1-CD1 4.1Å; V170-I186 HydrophobicContact CG1-CG2 4.33Å; V170-I186 HydrophobicContact CG2-CG2 3.71Å; V170-A191 HydrophobicContact CG2-CB 4.35Å; V170-K192 PolarHBondContact N-O 3.01Å; V170-T193 WeakPolarHBondContact O-CA 3.28Å; V170-H194 PolarHBondContact O-N 3.26Å; V170-C256 WeakPolarHBondContact CA-O 3.3Å; V170-C256 HydrophobicContact CG2-CB 4.37Å; V170-I258 HydrophobicContact CG1-CD1 3.98Å; V170-I258 HydrophobicContact CG1-CG1 4.16Å
171A98.9Very high98.6Very high0 Ų038.4 Ų38.40%023%0.229CC..EExtended strand (participates in β ladder)trans-96.7125.9164.600000109.7F196 V254 C256 L257 I258A171-F196 HydrophobicContact CB-CD2 4.21Å; A171-F196 HydrophobicContact CB-CE2 3.71Å; A171-V254 HydrophobicContact CB-CB 4.43Å; A171-V254 HydrophobicContact CB-CG1 3.99Å; A171-V254 HydrophobicContact CB-CG2 3.84Å; A171-C256 PolarHBondContact N-O 3.44Å; A171-L257 HydrophobicContact CB-CB 4.39Å; A171-L257 HydrophobicContact CB-CD1 4.21Å; A171-L257 HydrophobicContact CB-CG 4.12Å; A171-L257 CarbonylContact O-C 3.58Å; A171-L257 WeakPolarHBondContact O-CA 3.47Å; A171-I258 PolarHBondContact O-N 3.26Å
172V99Very high98.6Very high0 Ų038 Ų380%023%0.227CC..EExtended strand (participates in β ladder)trans-111.2122.5168.5-176.20000107.8V170 A179 A183 I186 T193 H194 L195 F196 I258 A260V170-V172 HydrophobicContact CG1-CG2 4.11Å; V172-A179 HydrophobicContact CG1-CB 4.04Å; V172-A183 HydrophobicContact CB-CB 4.06Å; V172-A183 HydrophobicContact CG1-CB 4.36Å; V172-A183 HydrophobicContact CG2-CB 3.97Å; V172-I186 HydrophobicContact CG2-CD1 4.21Å; V172-T193 HydrophobicContact CG2-CG2 4.47Å; V172-H194 PolarHBondContact N-O 2.75Å; V172-L195 HydrophobicContact CB-CD1 4.2Å; V172-L195 HydrophobicContact CG1-CD1 4.14Å; V172-L195 WeakPolarHBondContact O-CA 3.49Å; V172-F196 PolarHBondContact O-N 2.96Å; V172-I258 HydrophobicContact CG2-CB 4.4Å; V172-I258 HydrophobicContact CG2-CD1 4.27Å; V172-A260 HydrophobicContact CG1-CB 4.42Å
173V98.9Very high98.7Very high4 Ų434.3 Ų34.32%0.02420%0.196CC..EExtended strand (participates in β ladder)trans-111.6116.5-178.1-175.40000109.8F196 P231 L244 L257 I258 W259 A260 I261V173-F196 HydrophobicContact CG1-CB 4.4Å; V173-F196 HydrophobicContact CG2-CB 4.23Å; V173-F196 HydrophobicContact CG2-CD2 4.21Å; V173-P231 HydrophobicContact CG1-CG 3.58Å; V173-L244 HydrophobicContact CG2-CD2 3.87Å; V173-L257 HydrophobicContact CG2-CD1 4.5Å; V173-L257 HydrophobicContact CG2-CG 4.49Å; V173-I258 PolarHBondContact N-O 3.37Å; V173-W259 HydrophobicContact CB-CE3 3.77Å; V173-W259 HydrophobicContact CB-CZ3 3.78Å; V173-W259 HydrophobicContact CG1-CE3 4.11Å; V173-W259 HydrophobicContact CG1-CZ3 3.88Å; V173-W259 HydrophobicContact CG2-CE3 4.11Å; V173-W259 HydrophobicContact CG2-CZ3 3.74Å; V173-A260 CarbonylContact O-C 3.56Å; V173-A260 WeakPolarHBondContact O-CA 3.29Å; V173-A260 PolarHBondContact O-N 2.84Å; V173-I261 HydrophobicContact CG1-CG2 4.12Å; V173-I261 WeakPolarHBondContact O-CG2 3.28Å
174G98.8Very high98.7Very high8 Ų833.3 Ų33.38%0.08219%0.192CC..  trans152.9161.9-177.500000112A179 L195 F196 V197 A260G174-A179 VanDerWaalsContact C-CB 3.41Å; G174-A179 WeakPolarHBondContact O-CB 3.35Å; G174-L195 WeakPolarHBondContact O-CD1 3.39Å; G174-F196 PolarHBondContact N-O 2.89Å; G174-V197 WeakPolarHBondContact O-CG1 3.42Å; G174-A260 WeakPolarHBondContact CA-O 3.48Å
175A98.7Very high98.7Very high37 Ų3727.4 Ų27.431%0.30615%0.154SC..SBendtrans-126.22.6-177.200000113.5V197 L203A175-V197 HydrophobicContact CB-CB 4.24Å; A175-V197 HydrophobicContact CB-CG1 3.94Å; A175-L203 PolarHBondContact O-N 3.05Å
176G98.2Very high98.7Very high35 Ų3525 Ų2536%0.36113%0.133SC..SBendtrans-87.1-178.817700000112.9I178 A179 V180G176-I178 VanDerWaalsContact C-N 3.34Å; G176-I178 PolarHBondContact O-N 2.83Å; G176-A179 PolarHBondContact O-N 2.81Å; G176-V180 PolarHBondContact O-N 2.87Å
177Y97.8Very high98.7Very high88 Ų8824.9 Ų24.935%0.34513%0.133SC..Hα-helixtrans-59.1-40.4-17964.3-84.8000112.6A179 V180 E181Y177-A179 PolarHBondContact O-N 2.88Å; Y177-V180 PolarHBondContact O-N 2.95Å; Y177-E181 WeakPolarHBondContact O-CB 3.42Å; Y177-E181 WeakPolarHBondContact O-CG 3.01Å; Y177-E181 PolarHBondContact O-N 2.74Å
178I98.6Very high98.8Very high36 Ų3624 Ų2419%0.18513%0.128CC..Hα-helixtrans-58.7-48.2178-60.7178000111.1G176 V180 E181 L182 A260G176-I178 VanDerWaalsContact C-N 3.34Å; G176-I178 PolarHBondContact O-N 2.83Å; I178-V180 PolarHBondContact O-N 2.84Å; I178-E181 PolarHBondContact O-N 3.24Å; I178-L182 HydrophobicContact CG2-CD1 3.96Å; I178-L182 HydrophobicContact CG2-CG 4.19Å; I178-L182 WeakPolarHBondContact O-CB 3.28Å; I178-L182 WeakPolarHBondContact O-CG 3.49Å; I178-L182 PolarHBondContact O-N 2.87Å; I178-A260 HydrophobicContact CB-CB 4.47Å; I178-A260 HydrophobicContact CG2-CB 4.04Å
179A98.9Very high98.8Very high0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-59.9-46.4179.200000111.7V172 G174 G176 Y177 A183 L195 A260V172-A179 HydrophobicContact CG1-CB 4.04Å; G174-A179 VanDerWaalsContact C-CB 3.41Å; G174-A179 WeakPolarHBondContact O-CB 3.35Å; G176-A179 PolarHBondContact O-N 2.81Å; Y177-A179 PolarHBondContact O-N 2.88Å; A179-A183 WeakPolarHBondContact O-CB 3.28Å; A179-A183 PolarHBondContact O-N 3.45Å; A179-L195 HydrophobicContact CB-CD1 4.07Å; A179-A260 HydrophobicContact CB-CB 3.77Å
180V98.9Very high98.7Very high1 Ų115 Ų151%0.00610%0.1CC..Hα-helixtrans-65.1-45179.51740000111.7G176 Y177 I178 G184 L195 P202 L203 L214 M218G176-V180 PolarHBondContact O-N 2.87Å; Y177-V180 PolarHBondContact O-N 2.95Å; I178-V180 PolarHBondContact O-N 2.84Å; V180-G184 PolarHBondContact O-N 3.23Å; V180-L195 HydrophobicContact CG2-CD2 4.5Å; V180-P202 HydrophobicContact CG2-CB 3.54Å; V180-P202 HydrophobicContact CG2-CG 4.2Å; V180-L203 HydrophobicContact CG2-CD1 4.37Å; V180-L203 HydrophobicContact CG2-CG 4.09Å; V180-L214 HydrophobicContact CG1-CD1 4.45Å; V180-L214 HydrophobicContact CG1-CD2 3.81Å; V180-L214 HydrophobicContact CG2-CD2 4.33Å; V180-M218 HydrophobicContact CG1-CE 4Å; V180-M218 HydrophobicContact CG2-CE 4.45Å
181E98.9Very high98.7Very high9 Ų915.2 Ų15.24%0.04210%0.102CC..Hα-helixtrans-63.7-50179.5-71.7-177.5155.300111.4K50 Y177 I178 G184 V185 V343 F344K50-E181 HydrophobicContact CD-CB 4.48Å; K50-E181 WeakPolarHBondContact CD-OE2 3.09Å; K50-E181 IonicContact NZ-OE1 3.5Å; K50-E181 PolarHBondContact NZ-OE1 3.28Å; K50-E181 IonicContact NZ-OE2 2.58Å; K50-E181 PolarHBondContact NZ-OE2 2.92Å; Y177-E181 WeakPolarHBondContact O-CB 3.42Å; Y177-E181 WeakPolarHBondContact O-CG 3.01Å; Y177-E181 PolarHBondContact O-N 2.74Å; I178-E181 PolarHBondContact O-N 3.24Å; E181-G184 PolarHBondContact O-N 2.92Å; E181-V185 WeakPolarHBondContact O-CB 3.33Å; E181-V185 VanDerWaalsContact O-CG2 3.28Å; E181-V185 WeakPolarHBondContact O-CG2 3.42Å; E181-V185 PolarHBondContact O-N 3.15Å; E181-V343 HydrophobicContact CG-CG1 3.86Å; E181-F344 HydrophobicContact CG-CB 4.25Å; E181-F344 PolarHBondContact OE1-N 2.89Å
182L98.8Very high98.7Very high6 Ų620.7 Ų20.73%0.03113%0.126CC..Hα-helixtrans-64.2-45.7-179.7-66.9-170.2000111.4F160 I178 G184 V185 I186 I258F160-L182 HydrophobicContact CB-CD1 4.18Å; F160-L182 HydrophobicContact CD1-CD1 4.28Å; F160-L182 HydrophobicContact CD1-CD2 3.45Å; F160-L182 VanDerWaalsContact CD1-CD2 3.45Å; F160-L182 HydrophobicContact CD1-CG 4.49Å; F160-L182 HydrophobicContact CD2-CD2 4.48Å; F160-L182 HydrophobicContact CE1-CD2 3.45Å; F160-L182 VanDerWaalsContact CE1-CD2 3.45Å; F160-L182 HydrophobicContact CE2-CD2 4.49Å; F160-L182 HydrophobicContact CG-CD1 4.13Å; F160-L182 HydrophobicContact CG-CD2 4Å; F160-L182 HydrophobicContact CZ-CD2 4Å; I178-L182 HydrophobicContact CG2-CD1 3.96Å; I178-L182 HydrophobicContact CG2-CG 4.19Å; I178-L182 WeakPolarHBondContact O-CB 3.28Å; I178-L182 WeakPolarHBondContact O-CG 3.49Å; I178-L182 PolarHBondContact O-N 2.87Å; L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 3.32Å; L182-V185 PolarHBondContact O-N 2.93Å; L182-I186 HydrophobicContact CB-CD1 4.35Å; L182-I186 WeakPolarHBondContact O-CB 3.38Å; L182-I186 VanDerWaalsContact O-CD1 3.31Å; L182-I186 WeakPolarHBondContact O-CD1 3.48Å; L182-I186 WeakPolarHBondContact O-CG1 3.49Å; L182-I186 PolarHBondContact O-N 2.86Å; L182-I258 HydrophobicContact CD1-CG2 4.11Å
183A98.9Very high98.7Very high0 Ų020.9 Ų20.90%013%0.127CC..Hα-helixtrans-62.7-40.6178.900000111.9V172 A179 N187 T193 L195 P223V172-A183 HydrophobicContact CB-CB 4.06Å; V172-A183 HydrophobicContact CG1-CB 4.36Å; V172-A183 HydrophobicContact CG2-CB 3.97Å; A179-A183 WeakPolarHBondContact O-CB 3.28Å; A179-A183 PolarHBondContact O-N 3.45Å; A183-N187 VanDerWaalsContact O-CB 3.22Å; A183-N187 WeakPolarHBondContact O-CB 3.39Å; A183-N187 PolarHBondContact O-N 3.22Å; A183-T193 HydrophobicContact CB-CG2 4.04Å; A183-L195 HydrophobicContact CB-CB 4.26Å; A183-L195 HydrophobicContact CB-CD1 4.2Å; A183-L195 HydrophobicContact CB-CD2 4.48Å; A183-P223 HydrophobicContact CB-CB 4.25Å; A183-P223 HydrophobicContact CB-CG 3.81Å
184G98.8Very high98.7Very high4 Ų420.8 Ų20.84%0.04113%0.126CC..Hα-helixtrans-62.3-47174.100000112.7V180 E181 L182 I186 N187 G188V180-G184 PolarHBondContact O-N 3.23Å; E181-G184 PolarHBondContact O-N 2.92Å; L182-G184 VanDerWaalsContact C-N 3.33Å; L182-G184 PolarHBondContact O-N 3.32Å; G184-I186 PolarHBondContact O-N 3.33Å; G184-N187 PolarHBondContact O-N 3.44Å; G184-G188 PolarHBondContact O-N 2.99Å
185V98.8Very high98.7Very high1 Ų120.4 Ų20.41%0.00612%0.122CC..Hα-helixtrans-61.1-45.7177.7166.90000111.9M53 W54 F160 E181 L182 N187 G188 L189M53-V185 HydrophobicContact CB-CG1 3.8Å; W54-V185 HydrophobicContact CB-CG2 4.12Å; F160-V185 HydrophobicContact CZ-CG1 4.27Å; E181-V185 WeakPolarHBondContact O-CB 3.33Å; E181-V185 VanDerWaalsContact O-CG2 3.28Å; E181-V185 WeakPolarHBondContact O-CG2 3.42Å; E181-V185 PolarHBondContact O-N 3.15Å; L182-V185 PolarHBondContact O-N 2.93Å; V185-N187 VanDerWaalsContact C-N 3.34Å; V185-G188 PolarHBondContact O-N 3.45Å; V185-L189 HydrophobicContact CG1-CD1 3.84Å; V185-L189 HydrophobicContact CG1-CG 4.48Å; V185-L189 WeakPolarHBondContact O-CB 3.48Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.24Å; V185-L189 PolarHBondContact O-N 2.91Å
186I98.9Very high98.7Very high2 Ų218.8 Ų18.81%0.0111%0.108CC..Hα-helixtrans-66.6-39.2-178.2-65.8164.3000110.4F160 L166 V170 V172 L182 G184 L189 G190 A191 T193 I258F160-I186 HydrophobicContact CD2-CD1 3.94Å; F160-I186 HydrophobicContact CD2-CG1 4.35Å; F160-I186 HydrophobicContact CE2-CD1 3.72Å; F160-I186 HydrophobicContact CE2-CG1 3.63Å; F160-I186 HydrophobicContact CZ-CG1 4.4Å; L166-I186 HydrophobicContact CD1-CG2 4.26Å; V170-I186 HydrophobicContact CB-CG2 3.89Å; V170-I186 HydrophobicContact CG1-CD1 4.1Å; V170-I186 HydrophobicContact CG1-CG2 4.33Å; V170-I186 HydrophobicContact CG2-CG2 3.71Å; V172-I186 HydrophobicContact CG2-CD1 4.21Å; L182-I186 HydrophobicContact CB-CD1 4.35Å; L182-I186 WeakPolarHBondContact O-CB 3.38Å; L182-I186 VanDerWaalsContact O-CD1 3.31Å; L182-I186 WeakPolarHBondContact O-CD1 3.48Å; L182-I186 WeakPolarHBondContact O-CG1 3.49Å; L182-I186 PolarHBondContact O-N 2.86Å; G184-I186 PolarHBondContact O-N 3.33Å; I186-L189 PolarHBondContact O-N 2.86Å; I186-G190 PolarHBondContact O-N 2.76Å; I186-A191 HydrophobicContact CG2-CB 3.64Å; I186-A191 PolarHBondContact O-N 3.34Å; I186-A191 VanDerWaalsContact O-N 3.14Å; I186-T193 HydrophobicContact CB-CG2 4.32Å; I186-T193 HydrophobicContact CG2-CG2 4.21Å; I186-T193 WeakPolarHBondContact CG2-OG1 3.42Å; I186-I258 HydrophobicContact CD1-CD1 3.54Å
187N98.9Very high98.8Very high38 Ų3817.2 Ų17.220%0.2039%0.091CC..Hα-helixtrans-63.4-51.7172.8-174.378.6000111.9A183 G184 V185 L189 G190 T193 E221 P223A183-N187 VanDerWaalsContact O-CB 3.22Å; A183-N187 WeakPolarHBondContact O-CB 3.39Å; A183-N187 PolarHBondContact O-N 3.22Å; G184-N187 PolarHBondContact O-N 3.44Å; V185-N187 VanDerWaalsContact C-N 3.34Å; N187-L189 PolarHBondContact O-N 3.13Å; N187-G190 WeakPolarHBondContact O-CA 3.39Å; N187-G190 PolarHBondContact O-N 3.08Å; N187-T193 WeakPolarHBondContact CA-OG1 3.33Å; N187-T193 PolarHBondContact N-OG1 2.96Å; N187-E221 PolarHBondContact ND2-O 2.97Å; N187-P223 HydrophobicContact CB-CB 4.41Å
188G98.7Very high98.8Very high3 Ų321.3 Ų21.33%0.03111%0.106CC..Hα-helixtrans-60.3-32.4178.400000112.8R60 E61 G184 V185 G190R60-G188 VanDerWaalsContact CD-O 3.31Å; R60-G188 WeakPolarHBondContact CD-O 3.37Å; R60-G188 PolarHBondContact NH1-O 3.01Å; E61-G188 WeakPolarHBondContact OE1-CA 3.31Å; G184-G188 PolarHBondContact O-N 2.99Å; V185-G188 PolarHBondContact O-N 3.45Å; G188-G190 VanDerWaalsContact C-N 3.29Å; G188-G190 PolarHBondContact O-N 3.27Å
189L98.8Very high98.8Very high4 Ų424.9 Ų24.92%0.02112%0.12CC..THydrogen-bonded Turntrans-76.3-9.7173.3-71.2175.6000114.5M53 A56 A57 R60 F79 W81 L166 V185 I186 N187M53-L189 HydrophobicContact CE-CD1 3.92Å; A56-L189 HydrophobicContact CB-CD2 4.01Å; A57-L189 HydrophobicContact CB-CG 4.26Å; R60-L189 VanDerWaalsContact CD-C 3.47Å; R60-L189 WeakPolarHBondContact CD-O 3.44Å; R60-L189 PolarHBondContact NE-O 2.95Å; R60-L189 VanDerWaalsContact NE-O 3.07Å; F79-L189 HydrophobicContact CE2-CD2 4.49Å; F79-L189 HydrophobicContact CZ-CD2 4.02Å; W81-L189 HydrophobicContact CZ3-CD1 3.97Å; L166-L189 HydrophobicContact CD2-CB 3.98Å; L166-L189 WeakPolarHBondContact CD2-O 3.32Å; V185-L189 HydrophobicContact CG1-CD1 3.84Å; V185-L189 HydrophobicContact CG1-CG 4.48Å; V185-L189 WeakPolarHBondContact O-CB 3.48Å; V185-L189 VanDerWaalsContact O-CG 3.26Å; V185-L189 WeakPolarHBondContact O-CG 3.24Å; V185-L189 PolarHBondContact O-N 2.91Å; I186-L189 PolarHBondContact O-N 2.86Å; N187-L189 PolarHBondContact O-N 3.13Å
190G98.5Very high98.7Very high38 Ų3830.6 Ų30.639%0.39215%0.147SC..THydrogen-bonded Turntrans107.15.916700000116.7R60 I186 N187 G188R60-G190 VanDerWaalsContact NH1-CA 3.29Å; I186-G190 PolarHBondContact O-N 2.76Å; N187-G190 WeakPolarHBondContact O-CA 3.39Å; N187-G190 PolarHBondContact O-N 3.08Å; G188-G190 VanDerWaalsContact C-N 3.29Å; G188-G190 PolarHBondContact O-N 3.27Å
191A98.8Very high98.7Very high6 Ų630.8 Ų30.85%0.0515%0.148CC..  trans-79.9146.6174.700000111.2L166 P167 V170 I186 T193L166-A191 HydrophobicContact CD1-CB 3.99Å; L166-A191 HydrophobicContact CD2-CB 4.3Å; L166-A191 HydrophobicContact CG-CB 4.13Å; P167-A191 WeakPolarHBondContact O-CB 3.45Å; V170-A191 HydrophobicContact CG2-CB 4.35Å; I186-A191 HydrophobicContact CG2-CB 3.64Å; I186-A191 PolarHBondContact O-N 3.34Å; I186-A191 VanDerWaalsContact O-N 3.14Å; A191-T193 PolarHBondContact O-N 3.45Å; A191-T193 PolarHBondContact O-OG1 3.19Å
192K98.8Very high98.7Very high115 Ų11530.3 Ų30.350%0.515%0.146SC..EExtended strand (participates in β ladder)trans-68.6103.7172-173.1-174.4-179.7-159.60108.5E168 R169 V170 H194E168-K192 PolarHBondContact O-N 2.75Å; R169-K192 WeakPolarHBondContact CA-O 3.46Å; R169-K192 HydrophobicContact CG-CB 4.24Å; R169-K192 HydrophobicContact CG-CD 4.42Å; V170-K192 PolarHBondContact N-O 3.01Å; K192-H194 VanDerWaalsContact CE-NE2 3.27Å; K192-H194 WeakPolarHBondContact CE-NE2 3.39Å
193T99Very high98.7Very high4 Ų430.3 Ų30.33%0.02515%0.146CC..EExtended strand (participates in β ladder)trans-111.2130.2-167-51.50000111.7V170 V172 A183 I186 N187 A191 P223 Q224V170-T193 WeakPolarHBondContact O-CA 3.28Å; V172-T193 HydrophobicContact CG2-CG2 4.47Å; A183-T193 HydrophobicContact CB-CG2 4.04Å; I186-T193 HydrophobicContact CB-CG2 4.32Å; I186-T193 HydrophobicContact CG2-CG2 4.21Å; I186-T193 WeakPolarHBondContact CG2-OG1 3.42Å; N187-T193 WeakPolarHBondContact CA-OG1 3.33Å; N187-T193 PolarHBondContact N-OG1 2.96Å; A191-T193 PolarHBondContact O-N 3.45Å; A191-T193 PolarHBondContact O-OG1 3.19Å; T193-P223 HydrophobicContact CG2-CB 3.76Å; T193-P223 WeakPolarHBondContact O-CB 3.38Å; T193-Q224 PolarHBondContact O-N 3.27Å
194H98.9Very high98.6Very high2 Ų236.1 Ų36.11%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-117.4124.8178.8-63.1-115.7000108.9V170 V172 K192 F196 Q224 H226 E252V170-H194 PolarHBondContact O-N 3.26Å; V172-H194 PolarHBondContact N-O 2.75Å; K192-H194 VanDerWaalsContact CE-NE2 3.27Å; K192-H194 WeakPolarHBondContact CE-NE2 3.39Å; H194-F196 HydrophobicContact CB-CD2 4.36Å; H194-F196 HydrophobicContact CB-CE2 3.48Å; H194-F196 VanDerWaalsContact CB-CE2 3.48Å; H194-F196 HydrophobicContact CB-CZ 3.86Å; H194-Q224 CarbonylContact C-O 3.6Å; H194-Q224 WeakPolarHBondContact CA-O 3.39Å; H194-Q224 PolarHBondContact CE1-OE1 3.1Å; H194-H226 AromaticContact CG-NE2 3.77Å; H194-H226 AromaticContact ND1-CD2 3.94Å; H194-H226 AromaticContact ND1-CE1 3.8Å; H194-H226 AromaticContact ND1-NE2 2.99Å; H194-H226 PolarHBondContact ND1-NE2 2.83Å; H194-E252 IonicContact CE1-OE1 3.86Å; H194-E252 IonicContact CE1-OE2 2.89Å; H194-E252 PolarHBondContact CE1-OE2 2.89Å; H194-E252 IonicContact ND1-OE2 3.26Å; H194-E252 PolarHBondContact ND1-OE2 3.36Å; H194-E252 IonicContact NE2-OE2 3.96Å
195L98.9Very high98.6Very high0 Ų040.5 Ų40.50%020%0.198CC..EExtended strand (participates in β ladder)trans-107.1120.6176.4177.360.7000109.8V172 G174 A179 V180 A183 V197 M218 P223 Q224 L225 H226V172-L195 HydrophobicContact CB-CD1 4.2Å; V172-L195 HydrophobicContact CG1-CD1 4.14Å; V172-L195 WeakPolarHBondContact O-CA 3.49Å; G174-L195 WeakPolarHBondContact O-CD1 3.39Å; A179-L195 HydrophobicContact CB-CD1 4.07Å; V180-L195 HydrophobicContact CG2-CD2 4.5Å; A183-L195 HydrophobicContact CB-CB 4.26Å; A183-L195 HydrophobicContact CB-CD1 4.2Å; A183-L195 HydrophobicContact CB-CD2 4.48Å; L195-V197 HydrophobicContact CG-CG1 4.3Å; L195-M218 HydrophobicContact CD2-CE 3.65Å; L195-M218 HydrophobicContact CD2-SD 4.02Å; L195-P223 HydrophobicContact CB-CB 4.39Å; L195-P223 HydrophobicContact CB-CG 4.09Å; L195-P223 HydrophobicContact CD2-CG 4.47Å; L195-Q224 PolarHBondContact N-O 3.2Å; L195-L225 HydrophobicContact CB-CD1 4.27Å; L195-L225 HydrophobicContact CD2-CD1 3.98Å; L195-L225 HydrophobicContact CG-CD1 4.01Å; L195-H226 PolarHBondContact O-N 2.06Å
196F98.9Very high98.5Very high3 Ų342.1 Ų42.11%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-106119.5-178.2-62.3-92.7000111.3A171 V172 V173 G174 H194 H226 A229 L244 L246 E252A171-F196 HydrophobicContact CB-CD2 4.21Å; A171-F196 HydrophobicContact CB-CE2 3.71Å; V172-F196 PolarHBondContact O-N 2.96Å; V173-F196 HydrophobicContact CG1-CB 4.4Å; V173-F196 HydrophobicContact CG2-CB 4.23Å; V173-F196 HydrophobicContact CG2-CD2 4.21Å; G174-F196 PolarHBondContact N-O 2.89Å; H194-F196 HydrophobicContact CB-CD2 4.36Å; H194-F196 HydrophobicContact CB-CE2 3.48Å; H194-F196 VanDerWaalsContact CB-CE2 3.48Å; H194-F196 HydrophobicContact CB-CZ 3.86Å; F196-H226 HydrophobicContact CD1-CB 3.42Å; F196-H226 VanDerWaalsContact CD1-CB 3.42Å; F196-H226 AromaticContact CD1-CG 3.81Å; F196-H226 HydrophobicContact CE1-CB 3.68Å; F196-H226 AromaticContact CE1-CD2 3.74Å; F196-H226 AromaticContact CE1-CG 3.51Å; F196-H226 AromaticContact CE1-ND1 3.94Å; F196-H226 HydrophobicContact CG-CB 4.15Å; F196-H226 AromaticContact CZ-CD2 3.85Å; F196-A229 HydrophobicContact CB-CB 3.99Å; F196-A229 HydrophobicContact CD1-CB 3.8Å; F196-A229 HydrophobicContact CG-CB 4.41Å; F196-L244 HydrophobicContact CD1-CD2 4.13Å; F196-L244 HydrophobicContact CD2-CD2 3.81Å; F196-L244 HydrophobicContact CE1-CD2 4.14Å; F196-L244 HydrophobicContact CE2-CD2 3.81Å; F196-L244 HydrophobicContact CG-CD2 3.98Å; F196-L244 HydrophobicContact CZ-CD2 3.99Å; F196-L246 HydrophobicContact CD1-CD1 3.99Å; F196-L246 HydrophobicContact CD1-CD2 4.23Å; F196-L246 HydrophobicContact CE1-CD1 4.08Å; F196-E252 HydrophobicContact CE1-CB 4.47Å; F196-E252 HydrophobicContact CZ-CB 3.77Å; F196-E252 HydrophobicContact CZ-CG 4.09Å
197V98.8Very high98.5Very high1 Ų142 Ų421%0.00620%0.204CC..  trans-120.1135.4178.5-59.80000111.2G174 A175 L195 K199 P202 L225 H226 T227 N228 A229G174-V197 WeakPolarHBondContact O-CG1 3.42Å; A175-V197 HydrophobicContact CB-CB 4.24Å; A175-V197 HydrophobicContact CB-CG1 3.94Å; L195-V197 HydrophobicContact CG-CG1 4.3Å; V197-K199 PolarHBondContact O-N 3.04Å; V197-K199 VanDerWaalsContact O-N 3.12Å; V197-P202 HydrophobicContact CG1-CB 4.16Å; V197-L225 HydrophobicContact CG1-CD1 4.01Å; V197-L225 HydrophobicContact CG2-CD1 3.88Å; V197-H226 PolarHBondContact N-O 2.7Å; V197-T227 HydrophobicContact CG2-CG2 3.96Å; V197-T227 CarbonylContact O-C 3.56Å; V197-N228 PolarHBondContact O-N 2.7Å; V197-A229 PolarHBondContact O-N 3.1Å
198R98.6Very high98.5Very high175 Ų17542.4 Ų42.466%0.6621%0.209SC*.SBendtrans-67.8-11.5-175.7-66.617663.5-175.83115A229 I230R198-A229 WeakPolarHBondContact CA-O 3.42Å; R198-I230 HydrophobicContact CB-CG1 4.42Å; R198-I230 HydrophobicContact CG-CG1 4.32Å
199K98.3Very high98.5Very high111 Ų11143 Ų4348%0.48321%0.211SC..SBendtrans-136.5-151.9-175.6-69.4-171.8174.7-1740109.7V197 T227 N228V197-K199 PolarHBondContact O-N 3.04Å; V197-K199 VanDerWaalsContact O-N 3.12Å; K199-T227 WeakPolarHBondContact O-CB 3.13Å; K199-N228 PolarHBondContact O-N 3.27Å
200H97.4Very high98.5Very high120 Ų12042.9 Ų42.956%0.55621%0.21SC*.SBendtrans-77.8-20.1-17268-100.6000115.9T227H200-T227 WeakPolarHBondContact O-CG2 3.46Å
201A98.4Very high98.5Very high4 Ų441.5 Ų41.53%0.03320%0.195CC..  trans-162.5161.4-176.900000111.2R204 V215A201-R204 WeakPolarHBondContact O-CG 3.44Å; A201-V215 HydrophobicContact CB-CG2 4.05Å
202P98.6Very high98.5Very high0 Ų047.3 Ų47.30%022%0.221CC..SBendtrans-70.1168.8160.632.2-35.7000111.8V180 V197 R204 L214 M218V180-P202 HydrophobicContact CG2-CB 3.54Å; V180-P202 HydrophobicContact CG2-CG 4.2Å; V197-P202 HydrophobicContact CG1-CB 4.16Å; P202-R204 VanDerWaalsContact C-N 3.28Å; P202-R204 PolarHBondContact O-N 3.03Å; P202-R204 VanDerWaalsContact O-N 3.15Å; P202-L214 HydrophobicContact CG-CD2 3.97Å; P202-M218 HydrophobicContact CG-CE 4.41Å; P202-M218 HydrophobicContact CG-SD 4.31Å
203L98.5Very high98.5Very high6 Ų641.9 Ų41.93%0.03120%0.197CC..  trans51.838.9173.1-60.3176.6000114.6A175 V180 S205 F206 L214 V343 I349A175-L203 PolarHBondContact O-N 3.05Å; V180-L203 HydrophobicContact CG2-CD1 4.37Å; V180-L203 HydrophobicContact CG2-CG 4.09Å; L203-S205 PolarHBondContact O-N 2.93Å; L203-F206 HydrophobicContact CB-CB 4.3Å; L203-F206 HydrophobicContact CB-CD2 3.95Å; L203-F206 HydrophobicContact CB-CG 4.07Å; L203-F206 HydrophobicContact CD2-CD2 4.19Å; L203-F206 HydrophobicContact CD2-CE2 3.9Å; L203-F206 HydrophobicContact CD2-CZ 4.24Å; L203-F206 VanDerWaalsContact O-CB 3.3Å; L203-F206 WeakPolarHBondContact O-CB 3.38Å; L203-F206 PolarHBondContact O-N 2.88Å; L203-L214 HydrophobicContact CD1-CD2 3.85Å; L203-V343 HydrophobicContact CD1-CG1 4.46Å; L203-I349 HydrophobicContact CD1-CD1 3.56Å
204R97.8Very high98.5Very high122 Ų12241.7 Ų41.746%0.4620%0.196SC..THydrogen-bonded Turntrans-60.2-15.2-173.4-66.5177.454.6-94.9-9.6116.4A201 P202A201-R204 WeakPolarHBondContact O-CG 3.44Å; P202-R204 VanDerWaalsContact C-N 3.28Å; P202-R204 PolarHBondContact O-N 3.03Å; P202-R204 VanDerWaalsContact O-N 3.15Å
205S97.3Very high98.5Very high95 Ų9543 Ų4366%0.66420%0.204SC*.THydrogen-bonded Turntrans-89.3-6.9175.353.80000113.2L203L203-S205 PolarHBondContact O-N 2.93Å
206F98.6Very high98.5Very high35 Ų3547.4 Ų47.415%0.15423%0.225CC..SBendtrans-81.8168175.4-75.6-128.8000109.8L203 I210 V343 I349 T351L203-F206 HydrophobicContact CB-CB 4.3Å; L203-F206 HydrophobicContact CB-CD2 3.95Å; L203-F206 HydrophobicContact CB-CG 4.07Å; L203-F206 HydrophobicContact CD2-CD2 4.19Å; L203-F206 HydrophobicContact CD2-CE2 3.9Å; L203-F206 HydrophobicContact CD2-CZ 4.24Å; L203-F206 VanDerWaalsContact O-CB 3.3Å; L203-F206 WeakPolarHBondContact O-CB 3.38Å; L203-F206 PolarHBondContact O-N 2.88Å; F206-I210 HydrophobicContact CB-CB 4.42Å; F206-I210 HydrophobicContact CB-CG2 4.3Å; F206-I210 HydrophobicContact CD1-CD1 4.11Å; F206-I210 HydrophobicContact CD1-CG2 4.11Å; F206-V343 HydrophobicContact CE1-CG2 3.81Å; F206-V343 HydrophobicContact CZ-CG2 3.67Å; F206-I349 HydrophobicContact CD1-CG2 4Å; F206-I349 HydrophobicContact CE1-CG2 3.9Å; F206-T351 HydrophobicContact CD1-CG2 4.05Å; F206-T351 HydrophobicContact CE1-CG2 3.6Å; F206-T351 HydrophobicContact CZ-CG2 4.23Å
207D98.8Very high98.5Very high0 Ų047.4 Ų47.40%023%0.225CC..  trans-58.7135.6175.6-176.1-76.5000110.2M209 I210 S211 T355 E356 K392 H406D207-M209 PolarHBondContact O-N 3.12Å; D207-M209 WeakPolarHBondContact OD1-CB 3.2Å; D207-M209 PolarHBondContact OD1-N 2.92Å; D207-I210 HydrophobicContact CB-CD1 4.48Å; D207-I210 WeakPolarHBondContact O-CB 3.17Å; D207-I210 PolarHBondContact O-N 2.87Å; D207-S211 PolarHBondContact O-N 3.14Å; D207-T355 HydrophobicContact CB-CG2 3.96Å; D207-T355 VanDerWaalsContact N-CG2 3.3Å; D207-E356 WeakPolarHBondContact OD2-CB 3.46Å; D207-E356 PolarHBondContact OD2-N 3.5Å; D207-K392 VanDerWaalsContact OD1-CE 3.3Å; D207-K392 WeakPolarHBondContact OD1-CE 3.47Å; D207-K392 IonicContact OD1-NZ 3.45Å; D207-K392 PolarHBondContact OD1-NZ 2.77Å; D207-K392 IonicContact OD2-NZ 3.61Å; D207-K392 PolarHBondContact OD2-NZ 3.07Å; D207-H406 HydrophobicContact CB-CB 4.48Å
208P98.7Very high98.5Very high47 Ų4747.8 Ų47.831%0.30523%0.227SC..Hα-helixtrans-52-33.6-178-29.835.7000114.6I210 S211 E212 P357P208-I210 PolarHBondContact O-N 3.06Å; P208-S211 PolarHBondContact O-N 2.64Å; P208-S211 PolarHBondContact O-OG 2.9Å; P208-E212 VanDerWaalsContact O-CB 3.26Å; P208-E212 WeakPolarHBondContact O-CB 3.3Å; P208-E212 WeakPolarHBondContact O-CG 3.43Å; P208-E212 PolarHBondContact O-N 2.83Å; P208-P357 HydrophobicContact CG-CG 4Å
209M98.8Very high98.5Very high16 Ų1645 Ų458%0.07923%0.225CC..Hα-helixtrans-58.8-36.6176.4-177.4-166.874.700111.8D207 T213 R390 K392 H406D207-M209 PolarHBondContact O-N 3.12Å; D207-M209 WeakPolarHBondContact OD1-CB 3.2Å; D207-M209 PolarHBondContact OD1-N 2.92Å; M209-T213 VanDerWaalsContact O-CB 3.31Å; M209-T213 WeakPolarHBondContact O-CB 3.44Å; M209-T213 PolarHBondContact O-N 2.92Å; M209-T213 VanDerWaalsContact O-N 3.16Å; M209-T213 PolarHBondContact O-OG1 3.47Å; M209-R390 HydrophobicContact CE-CB 4.21Å; M209-R390 HydrophobicContact CG-CB 4.07Å; M209-R390 HydrophobicContact SD-CB 3.9Å; M209-K392 HydrophobicContact CE-CB 3.62Å; M209-K392 HydrophobicContact SD-CB 3.72Å; M209-H406 HydrophobicContact CE-CB 4.39Å
210I98.8Very high98.5Very high0 Ų043.8 Ų43.80%024%0.236CC..Hα-helixtrans-69.3-52.8178.7-72.1172.4000110.1F206 D207 P208 E212 T213 L214 I349 H406F206-I210 HydrophobicContact CB-CB 4.42Å; F206-I210 HydrophobicContact CB-CG2 4.3Å; F206-I210 HydrophobicContact CD1-CD1 4.11Å; F206-I210 HydrophobicContact CD1-CG2 4.11Å; D207-I210 HydrophobicContact CB-CD1 4.48Å; D207-I210 WeakPolarHBondContact O-CB 3.17Å; D207-I210 PolarHBondContact O-N 2.87Å; P208-I210 PolarHBondContact O-N 3.06Å; I210-E212 PolarHBondContact O-N 2.77Å; I210-T213 PolarHBondContact O-N 2.86Å; I210-L214 WeakPolarHBondContact O-CB 3.39Å; I210-L214 PolarHBondContact O-N 2.86Å; I210-I349 HydrophobicContact CD1-CG2 3.75Å; I210-I349 HydrophobicContact CG1-CG2 4.31Å; I210-I349 HydrophobicContact CG2-CB 4.41Å; I210-I349 HydrophobicContact CG2-CD1 3.41Å; I210-I349 VanDerWaalsContact CG2-CD1 3.41Å; I210-I349 HydrophobicContact CG2-CG1 3.75Å; I210-I349 HydrophobicContact CG2-CG2 3.75Å; I210-H406 HydrophobicContact CD1-CB 3.83Å; I210-H406 HydrophobicContact CG1-CB 4.44Å
211S98.1Very high98.5Very high9 Ų939.8 Ų39.86%0.06322%0.218CC..Hα-helixtrans-65.9-39.2-176.553.70000111.9D207 P208 L214 V215D207-S211 PolarHBondContact O-N 3.14Å; P208-S211 PolarHBondContact O-N 2.64Å; P208-S211 PolarHBondContact O-OG 2.9Å; S211-L214 PolarHBondContact O-N 2.63Å; S211-V215 VanDerWaalsContact O-CG2 3.25Å; S211-V215 WeakPolarHBondContact O-CG2 3.34Å; S211-V215 PolarHBondContact O-N 2.92Å
212E98.7Very high98.5Very high128 Ų12840.3 Ų40.360%0.59822%0.223SC*.Hα-helixtrans-62.2-47175.6-72.1167.3-167.500111.9P208 I210 V215 E216P208-E212 VanDerWaalsContact O-CB 3.26Å; P208-E212 WeakPolarHBondContact O-CB 3.3Å; P208-E212 WeakPolarHBondContact O-CG 3.43Å; P208-E212 PolarHBondContact O-N 2.83Å; I210-E212 PolarHBondContact O-N 2.77Å; E212-V215 PolarHBondContact O-N 2.89Å; E212-E216 PolarHBondContact O-N 2.92Å
213T98.8Very high98.5Very high1 Ų140.5 Ų40.51%0.00622%0.224CC..Hα-helixtrans-65.9-39.4178.1-52.70000111.8M209 I210 V215 E216 V217 P388 R390 I408M209-T213 VanDerWaalsContact O-CB 3.31Å; M209-T213 WeakPolarHBondContact O-CB 3.44Å; M209-T213 PolarHBondContact O-N 2.92Å; M209-T213 VanDerWaalsContact O-N 3.16Å; M209-T213 PolarHBondContact O-OG1 3.47Å; I210-T213 PolarHBondContact O-N 2.86Å; T213-V215 VanDerWaalsContact C-N 3.33Å; T213-V215 PolarHBondContact O-N 2.91Å; T213-E216 WeakPolarHBondContact O-CB 3.24Å; T213-E216 PolarHBondContact O-N 3.04Å; T213-V217 WeakPolarHBondContact O-CG2 3.29Å; T213-V217 PolarHBondContact O-N 3.1Å; T213-P388 HydrophobicContact CG2-CB 4.28Å; T213-P388 HydrophobicContact CG2-CG 3.82Å; T213-R390 VanDerWaalsContact CB-NH1 3.35Å; T213-R390 HydrophobicContact CG2-CG 4.2Å; T213-R390 VanDerWaalsContact CG2-NH1 3.35Å; T213-R390 VanDerWaalsContact OG1-CD 3.31Å; T213-R390 WeakPolarHBondContact OG1-CD 3.39Å; T213-R390 PolarHBondContact OG1-NH1 3.16Å; T213-I408 HydrophobicContact CG2-CD1 4.07Å; T213-I408 HydrophobicContact CG2-CG1 4.33Å; T213-I408 HydrophobicContact CG2-CG2 3.66Å
214L98.9Very high98.6Very high0 Ų044.9 Ų44.90%025%0.245CC..Hα-helixtrans-62.5-42.3177-178.664.2000111.1V180 P202 L203 I210 S211 V217 M218 I349 I408V180-L214 HydrophobicContact CG1-CD1 4.45Å; V180-L214 HydrophobicContact CG1-CD2 3.81Å; V180-L214 HydrophobicContact CG2-CD2 4.33Å; P202-L214 HydrophobicContact CG-CD2 3.97Å; L203-L214 HydrophobicContact CD1-CD2 3.85Å; I210-L214 WeakPolarHBondContact O-CB 3.39Å; I210-L214 PolarHBondContact O-N 2.86Å; S211-L214 PolarHBondContact O-N 2.63Å; L214-V217 PolarHBondContact O-N 3.43Å; L214-M218 HydrophobicContact CD1-CE 4Å; L214-M218 HydrophobicContact CD2-CE 4.01Å; L214-M218 HydrophobicContact CG-CE 3.88Å; L214-M218 HydrophobicContact CG-SD 4.25Å; L214-M218 WeakPolarHBondContact O-CB 3.3Å; L214-M218 VanDerWaalsContact O-CG 3.29Å; L214-M218 WeakPolarHBondContact O-CG 3.2Å; L214-M218 PolarHBondContact O-N 2.91Å; L214-I349 HydrophobicContact CD2-CD1 4.2Å; L214-I408 HydrophobicContact CB-CD1 3.82Å; L214-I408 HydrophobicContact CD1-CD1 4.36Å
215V98.8Very high98.6Very high30 Ų3040.3 Ų40.318%0.18223%0.229CC..Hα-helixtrans-65-40.3176.3170.90000111.4A201 S211 E212 T213 V217 M218 N219 L225A201-V215 HydrophobicContact CB-CG2 4.05Å; S211-V215 VanDerWaalsContact O-CG2 3.25Å; S211-V215 WeakPolarHBondContact O-CG2 3.34Å; S211-V215 PolarHBondContact O-N 2.92Å; E212-V215 PolarHBondContact O-N 2.89Å; T213-V215 VanDerWaalsContact C-N 3.33Å; T213-V215 PolarHBondContact O-N 2.91Å; V215-V217 VanDerWaalsContact C-N 3.33Å; V215-V217 PolarHBondContact O-N 2.84Å; V215-M218 PolarHBondContact O-N 3.29Å; V215-N219 WeakPolarHBondContact O-CB 3.18Å; V215-N219 PolarHBondContact O-N 3.19Å; V215-N219 PolarHBondContact O-ND2 3.14Å; V215-L225 HydrophobicContact CB-CD2 4.47Å; V215-L225 HydrophobicContact CG1-CD2 4.12Å; V215-L225 HydrophobicContact CG2-CD2 3.78Å
216E98.8Very high98.7Very high92 Ų9236.7 Ų36.743%0.4320%0.202SC..Hα-helixtrans-56.8-46.4173.8-178.9-178.3170.400111.7E212 T213 N219 A220 R390E212-E216 PolarHBondContact O-N 2.92Å; T213-E216 WeakPolarHBondContact O-CB 3.24Å; T213-E216 PolarHBondContact O-N 3.04Å; E216-N219 PolarHBondContact O-N 3.09Å; E216-A220 PolarHBondContact O-N 3.17Å; E216-R390 IonicContact OE1-NH2 2.88Å; E216-R390 PolarHBondContact OE1-NH2 3.04Å; E216-R390 IonicContact OE2-CZ 3.66Å; E216-R390 IonicContact OE2-NH1 3.49Å; E216-R390 PolarHBondContact OE2-NH1 2.91Å; E216-R390 IonicContact OE2-NH2 2.79Å; E216-R390 PolarHBondContact OE2-NH2 2.83Å
217V98.7Very high98.7Very high4 Ų437.4 Ų37.42%0.02421%0.209CC..Hα-helixtrans-66.8-47.9177.5177.10000111.2T213 L214 V215 N219 A220 E221 H346 P388T213-V217 WeakPolarHBondContact O-CG2 3.29Å; T213-V217 PolarHBondContact O-N 3.1Å; L214-V217 PolarHBondContact O-N 3.43Å; V215-V217 VanDerWaalsContact C-N 3.33Å; V215-V217 PolarHBondContact O-N 2.84Å; V217-N219 PolarHBondContact O-N 3.45Å; V217-A220 WeakPolarHBondContact O-CA 3.31Å; V217-A220 PolarHBondContact O-N 2.86Å; V217-E221 VanDerWaalsContact CG1-CD 3.43Å; V217-E221 HydrophobicContact CG1-CG 3.6Å; V217-E221 WeakPolarHBondContact CG1-OE1 3.39Å; V217-E221 WeakPolarHBondContact O-CG 3.37Å; V217-E221 PolarHBondContact O-N 2.87Å; V217-H346 WeakPolarHBondContact CG1-O 3.44Å; V217-P388 HydrophobicContact CG2-CG 3.81Å
218M98.8Very high98.7Very high8 Ų842.2 Ų42.24%0.03924%0.235CC..Hα-helixtrans-55-38.4177.2-74.3-179.9170.200112.6V180 L195 P202 L214 V215 A220 G222 P223 L225V180-M218 HydrophobicContact CG1-CE 4Å; V180-M218 HydrophobicContact CG2-CE 4.45Å; L195-M218 HydrophobicContact CD2-CE 3.65Å; L195-M218 HydrophobicContact CD2-SD 4.02Å; P202-M218 HydrophobicContact CG-CE 4.41Å; P202-M218 HydrophobicContact CG-SD 4.31Å; L214-M218 HydrophobicContact CD1-CE 4Å; L214-M218 HydrophobicContact CD2-CE 4.01Å; L214-M218 HydrophobicContact CG-CE 3.88Å; L214-M218 HydrophobicContact CG-SD 4.25Å; L214-M218 WeakPolarHBondContact O-CB 3.3Å; L214-M218 VanDerWaalsContact O-CG 3.29Å; L214-M218 WeakPolarHBondContact O-CG 3.2Å; L214-M218 PolarHBondContact O-N 2.91Å; V215-M218 PolarHBondContact O-N 3.29Å; M218-A220 VanDerWaalsContact C-N 3.3Å; M218-A220 PolarHBondContact O-N 2.84Å; M218-G222 WeakPolarHBondContact O-CA 3.12Å; M218-G222 PolarHBondContact O-N 3.23Å; M218-P223 HydrophobicContact CE-CG 4.25Å; M218-P223 HydrophobicContact CG-CG 4.42Å; M218-P223 HydrophobicContact SD-CG 4.49Å; M218-L225 HydrophobicContact SD-CD1 4.46Å; M218-L225 HydrophobicContact SD-CD2 4.49Å
219N98.6Very high98.7Very high117 Ų11740 Ų4063%0.62622%0.22SC*.Hα-helixtrans-70.2-26177.1-69-18.8000113.2V215 E216 V217V215-N219 WeakPolarHBondContact O-CB 3.18Å; V215-N219 PolarHBondContact O-N 3.19Å; V215-N219 PolarHBondContact O-ND2 3.14Å; E216-N219 PolarHBondContact O-N 3.09Å; V217-N219 PolarHBondContact O-N 3.45Å
220A98.6Very high98.7Very high85 Ų8541.8 Ų41.870%0.70223%0.23SC*.Hα-helixtrans-87-40.2-179.200000113.1E216 V217 M218E216-A220 PolarHBondContact O-N 3.17Å; V217-A220 WeakPolarHBondContact O-CA 3.31Å; V217-A220 PolarHBondContact O-N 2.86Å; M218-A220 VanDerWaalsContact C-N 3.3Å; M218-A220 PolarHBondContact O-N 2.84Å
221E98.3Very high98.7Very high37 Ų3742.6 Ų42.617%0.17324%0.235CC..Hα-helixtrans-133.72.2-169.561.2-179.6-143.900115M65 N187 V217 Q387M65-E221 HydrophobicContact CE-CB 4.25Å; N187-E221 PolarHBondContact ND2-O 2.97Å; V217-E221 VanDerWaalsContact CG1-CD 3.43Å; V217-E221 HydrophobicContact CG1-CG 3.6Å; V217-E221 WeakPolarHBondContact CG1-OE1 3.39Å; V217-E221 WeakPolarHBondContact O-CG 3.37Å; V217-E221 PolarHBondContact O-N 2.87Å; E221-Q387 PolarHBondContact OE1-NE2 3.11Å; E221-Q387 PolarHBondContact OE2-NE2 3.33Å
222G98.1Very high98.7Very high15 Ų1547.9 Ų47.916%0.15526%0.257CS..SBendtrans90.5169.417900000113.9M218M218-G222 WeakPolarHBondContact O-CA 3.12Å; M218-G222 PolarHBondContact O-N 3.23Å
223P98.8Very high98.7Very high3 Ų342.4 Ų42.42%0.01923%0.234CC..  cis-66.4160.1-1.130.6-40.8000113.7A183 N187 T193 L195 M218 L225A183-P223 HydrophobicContact CB-CB 4.25Å; A183-P223 HydrophobicContact CB-CG 3.81Å; N187-P223 HydrophobicContact CB-CB 4.41Å; T193-P223 HydrophobicContact CG2-CB 3.76Å; T193-P223 WeakPolarHBondContact O-CB 3.38Å; L195-P223 HydrophobicContact CB-CB 4.39Å; L195-P223 HydrophobicContact CB-CG 4.09Å; L195-P223 HydrophobicContact CD2-CG 4.47Å; M218-P223 HydrophobicContact CE-CG 4.25Å; M218-P223 HydrophobicContact CG-CG 4.42Å; M218-P223 HydrophobicContact SD-CG 4.49Å; P223-L225 PolarHBondContact O-N 3.22Å; P223-L225 VanDerWaalsContact O-N 3.11Å
224Q98.9Very high98.7Very high99 Ų9942.7 Ų42.746%0.46324%0.235SC..EExtended strand (participates in β ladder)trans-65.4113.2173.2-174.5179.2-10.400109.7T193 H194 L195 H226T193-Q224 PolarHBondContact O-N 3.27Å; H194-Q224 CarbonylContact C-O 3.6Å; H194-Q224 WeakPolarHBondContact CA-O 3.39Å; H194-Q224 PolarHBondContact CE1-OE1 3.1Å; L195-Q224 PolarHBondContact N-O 3.2Å; Q224-H226 PolarHBondContact NE2-CE1 3.46Å; Q224-H226 PolarHBondContact O-CD2 3.44Å
225L98.9Very high98.7Very high26 Ų2645.5 Ų45.514%0.13625%0.252CS..EExtended strand (participates in β ladder)trans-86.6125.5-178.2-178.765.9000111.7L195 V197 V215 M218 P223 T227L195-L225 HydrophobicContact CB-CD1 4.27Å; L195-L225 HydrophobicContact CD2-CD1 3.98Å; L195-L225 HydrophobicContact CG-CD1 4.01Å; V197-L225 HydrophobicContact CG1-CD1 4.01Å; V197-L225 HydrophobicContact CG2-CD1 3.88Å; V215-L225 HydrophobicContact CB-CD2 4.47Å; V215-L225 HydrophobicContact CG1-CD2 4.12Å; V215-L225 HydrophobicContact CG2-CD2 3.78Å; M218-L225 HydrophobicContact SD-CD1 4.46Å; M218-L225 HydrophobicContact SD-CD2 4.49Å; P223-L225 PolarHBondContact O-N 3.22Å; P223-L225 VanDerWaalsContact O-N 3.11Å; L225-T227 HydrophobicContact CD2-CG2 4Å; L225-T227 HydrophobicContact CG-CG2 4Å
226H98.8Very high98.7Very high19 Ų1949.7 Ų49.79%0.08827%0.268CS..EExtended strand (participates in β ladder)trans-110.7104.1174.7-63.8-95.7000109.6H194 L195 F196 V197 Q224 A229 E252H194-H226 AromaticContact CG-NE2 3.77Å; H194-H226 AromaticContact ND1-CD2 3.94Å; H194-H226 AromaticContact ND1-CE1 3.8Å; H194-H226 AromaticContact ND1-NE2 2.99Å; H194-H226 PolarHBondContact ND1-NE2 2.83Å; L195-H226 PolarHBondContact O-N 2.06Å; F196-H226 HydrophobicContact CD1-CB 3.42Å; F196-H226 VanDerWaalsContact CD1-CB 3.42Å; F196-H226 AromaticContact CD1-CG 3.81Å; F196-H226 HydrophobicContact CE1-CB 3.68Å; F196-H226 AromaticContact CE1-CD2 3.74Å; F196-H226 AromaticContact CE1-CG 3.51Å; F196-H226 AromaticContact CE1-ND1 3.94Å; F196-H226 HydrophobicContact CG-CB 4.15Å; F196-H226 AromaticContact CZ-CD2 3.85Å; V197-H226 PolarHBondContact N-O 2.7Å; Q224-H226 PolarHBondContact NE2-CE1 3.46Å; Q224-H226 PolarHBondContact O-CD2 3.44Å; H226-A229 HydrophobicContact CB-CB 4.33Å; H226-A229 WeakPolarHBondContact O-CB 3.25Å; H226-E252 IonicContact CE1-OE2 3.19Å; H226-E252 IonicContact NE2-OE2 3.08Å
227T98.8Very high98.7Very high49 Ų4947.7 Ų47.730%0.30126%0.26SS..  trans-87.1161.3179.659.60000112.5V197 K199 H200 L225 A229 R250V197-T227 HydrophobicContact CG2-CG2 3.96Å; V197-T227 CarbonylContact O-C 3.56Å; K199-T227 WeakPolarHBondContact O-CB 3.13Å; H200-T227 WeakPolarHBondContact O-CG2 3.46Å; L225-T227 HydrophobicContact CD2-CG2 4Å; L225-T227 HydrophobicContact CG-CG2 4Å; T227-A229 PolarHBondContact O-N 3.49Å; T227-A229 VanDerWaalsContact O-N 3.16Å; T227-R250 PolarHBondContact O-NH2 2.94Å
228N98.6Very high98.7Very high102 Ų10253.1 Ų53.155%0.54531%0.305SS..SBendtrans51.234.6-176.7-55.2-42.3000112.4V197 K199V197-N228 PolarHBondContact O-N 2.7Å; K199-N228 PolarHBondContact O-N 3.27Å
229A98.7Very high98.7Very high0 Ų058.6 Ų58.60%034%0.335CS..  trans-99.2105.3-175.900000110F196 V197 R198 H226 T227 L246F196-A229 HydrophobicContact CB-CB 3.99Å; F196-A229 HydrophobicContact CD1-CB 3.8Å; F196-A229 HydrophobicContact CG-CB 4.41Å; V197-A229 PolarHBondContact O-N 3.1Å; R198-A229 WeakPolarHBondContact CA-O 3.42Å; H226-A229 HydrophobicContact CB-CB 4.33Å; H226-A229 WeakPolarHBondContact O-CB 3.25Å; T227-A229 PolarHBondContact O-N 3.49Å; T227-A229 VanDerWaalsContact O-N 3.16Å; A229-L246 HydrophobicContact CB-CD1 3.58Å; A229-L246 HydrophobicContact CB-CD2 4.19Å
230I98.8Very high98.7Very high53 Ų5355 Ų5527%0.27233%0.325SS..  trans-104.2115.2173.2-57.7175.1000107.6R198 K232 L246 E247R198-I230 HydrophobicContact CB-CG1 4.42Å; R198-I230 HydrophobicContact CG-CG1 4.32Å; I230-K232 PolarHBondContact O-N 3.35Å; I230-L246 CarbonylContact O-C 3.57Å; I230-L246 VanDerWaalsContact O-CA 3.3Å; I230-L246 WeakPolarHBondContact O-CA 3.45Å; I230-E247 HydrophobicContact CB-CB 4.31Å; I230-E247 HydrophobicContact CB-CG 4.04Å; I230-E247 VanDerWaalsContact CG2-CD 3.41Å; I230-E247 HydrophobicContact CG2-CG 3.93Å; I230-E247 WeakPolarHBondContact CG2-OE1 3.33Å; I230-E247 PolarHBondContact O-N 3.18Å
231P98.8Very high98.7Very high18 Ų1851.2 Ų51.212%0.11729%0.294CS..EExtended strand (participates in β ladder)trans-58.1133.7174.8-24.433.4000111.9I148 V173 L244 W259I148-P231 HydrophobicContact CD1-CB 3.77Å; V173-P231 HydrophobicContact CG1-CG 3.58Å; P231-L244 HydrophobicContact CB-CD1 4.02Å; P231-W259 HydrophobicContact CB-CH2 4.29Å; P231-W259 HydrophobicContact CB-CZ3 4.23Å; P231-W259 HydrophobicContact CG-CZ3 4.09Å
232K98.8Very high98.7Very high120 Ų12050 Ų5052%0.52229%0.288SS..EExtended strand (participates in β ladder)trans-109.4-45.2177.1-179.2-173.3174.2-168.10112.1I230 E245 E247I230-K232 PolarHBondContact O-N 3.35Å; K232-E245 WeakPolarHBondContact CB-O 3.49Å; K232-E245 PolarHBondContact N-O 3.22Å; K232-E247 HydrophobicContact CB-CG 4.22Å
233A98.8Very high98.7Very high13 Ų1350 Ų5011%0.10729%0.286CS..EExtended strand (participates in β ladder)trans-159.3161.7179.600000110.7P149 E245P149-A233 HydrophobicContact CB-CB 4.34Å; P149-A233 WeakPolarHBondContact O-CA 3.43Å; A233-E245 PolarHBondContact N-O 2.96Å; A233-E245 PolarHBondContact O-N 2.97Å
234V98.9Very high98.7Very high6 Ų650 Ų504%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-122.4120.5168.8-175.80000109P149 G150 Y153 L242 T243 L244 L257 W259P149-V234 PolarHBondContact O-N 3.41Å; G150-V234 WeakPolarHBondContact CA-O 3.41Å; Y153-V234 HydrophobicContact CD2-CG1 4.26Å; V234-L242 HydrophobicContact CG1-CB 4.12Å; V234-T243 WeakPolarHBondContact CA-O 3.4Å; V234-L244 HydrophobicContact CG2-CD1 4.09Å; V234-L257 HydrophobicContact CG1-CD1 4.46Å; V234-L257 HydrophobicContact CG2-CD1 3.92Å; V234-W259 HydrophobicContact CG2-CH2 3.88Å; V234-W259 HydrophobicContact CG2-CZ2 3.72Å
235V98.8Very high98.7Very high59 Ų5948.7 Ų48.736%0.35828%0.279SS..EExtended strand (participates in β ladder)trans-101.4123.7179-179.30000109.1L242 T243V235-L242 CarbonylContact O-C 3.56Å; V235-L242 WeakPolarHBondContact O-CA 3.42Å; V235-T243 PolarHBondContact N-O 2.87Å; V235-T243 PolarHBondContact O-N 3.4Å
236K98.8Very high98.7Very high119 Ų11947.7 Ų47.752%0.51727%0.274SS..EExtended strand (participates in β ladder)trans-83.1117.1168.2-172.4170.3-174.2173.60109.6Y153 L242Y153-K236 HydrophobicContact CD1-CB 4.21Å; Y153-K236 HydrophobicContact CD1-CD 3.88Å; Y153-K236 HydrophobicContact CD2-CB 3.92Å; Y153-K236 HydrophobicContact CE1-CB 3.99Å; Y153-K236 HydrophobicContact CE1-CD 3.72Å; Y153-K236 HydrophobicContact CE2-CB 3.65Å; Y153-K236 HydrophobicContact CG-CB 4.19Å; K236-L242 HydrophobicContact CB-CD2 4.07Å; K236-L242 HydrophobicContact CG-CD2 4.02Å
237N98.7Very high98.7Very high49 Ų4952.8 Ų52.826%0.26230%0.298SS..PPolyproline II helixtrans-79.9166.2-177.6-58.7-45.9000111.6D239 G240 S241 T243N237-D239 WeakPolarHBondContact CB-OD1 3.46Å; N237-D239 PolarHBondContact O-N 3.42Å; N237-G240 PolarHBondContact O-N 2.81Å; N237-S241 WeakPolarHBondContact CB-O 3.25Å; N237-S241 PolarHBondContact N-O 3.37Å; N237-S241 PolarHBondContact ND2-O 3.21Å; N237-S241 PolarHBondContact ND2-OG 2.91Å; N237-T243 PolarHBondContact ND2-OG1 2.95Å; N237-T243 PolarHBondContact OD1-OG1 3.22Å
238A98.3Very high98.7Very high118 Ų11854.5 Ų54.598%0.97531%0.305SS*.THydrogen-bonded Turntrans-64-25.7-178.600000114G240A238-G240 VanDerWaalsContact C-N 3.3Å
239D98.4Very high98.7Very high123 Ų12352.9 Ų52.966%0.65831%0.312SS*.THydrogen-bonded Turntrans-85.2-1176.468.9-12.2000113.4N237 S241N237-D239 WeakPolarHBondContact CB-OD1 3.46Å; N237-D239 PolarHBondContact O-N 3.42Å; D239-S241 WeakPolarHBondContact OD1-CB 3.39Å; D239-S241 PolarHBondContact OD1-N 3.04Å; D239-S241 PolarHBondContact OD1-OG 3.07Å; D239-S241 PolarHBondContact OD2-OG 3.33Å
240G98.1Very high98.7Very high41 Ų4157.1 Ų57.142%0.42333%0.328SS..SBendtrans91.3-9.5-178.300000115N237 A238N237-G240 PolarHBondContact O-N 2.81Å; A238-G240 VanDerWaalsContact C-N 3.3Å
241S98.7Very high98.7Very high7 Ų758.2 Ų58.25%0.04934%0.341CS..  trans-68.3163.217467.40000111.8N237 D239 T253N237-S241 WeakPolarHBondContact CB-O 3.25Å; N237-S241 PolarHBondContact N-O 3.37Å; N237-S241 PolarHBondContact ND2-O 3.21Å; N237-S241 PolarHBondContact ND2-OG 2.91Å; D239-S241 WeakPolarHBondContact OD1-CB 3.39Å; D239-S241 PolarHBondContact OD1-N 3.04Å; D239-S241 PolarHBondContact OD1-OG 3.07Å; D239-S241 PolarHBondContact OD2-OG 3.33Å; S241-T253 WeakPolarHBondContact OG-CG2 3.08Å
242L98.9Very high98.7Very high10 Ų1059.2 Ų59.25%0.05234%0.344CS..EExtended strand (participates in β ladder)trans-114.4131.7179.8-53.4-177.9000109.8Y153 V234 V235 K236 T253 V254 L257Y153-L242 HydrophobicContact CG-CD2 4.23Å; Y153-L242 WeakPolarHBondContact O-CD1 3.32Å; V234-L242 HydrophobicContact CG1-CB 4.12Å; V235-L242 CarbonylContact O-C 3.56Å; V235-L242 WeakPolarHBondContact O-CA 3.42Å; K236-L242 HydrophobicContact CB-CD2 4.07Å; K236-L242 HydrophobicContact CG-CD2 4.02Å; L242-T253 CarbonylContact O-C 3.5Å; L242-T253 VanDerWaalsContact O-CA 3.26Å; L242-T253 WeakPolarHBondContact O-CA 3.18Å; L242-V254 HydrophobicContact CB-CG2 4.29Å; L242-V254 PolarHBondContact N-O 3.43Å; L242-V254 PolarHBondContact O-N 3.3Å; L242-L257 HydrophobicContact CD1-CB 4.09Å
243T98.9Very high98.7Very high17 Ų1755.9 Ų55.910%0.10433%0.334CS..EExtended strand (participates in β ladder)trans-105.4114.5169.5-60.80000109.3V234 V235 N237 E245 E252 T253V234-T243 WeakPolarHBondContact CA-O 3.4Å; V235-T243 PolarHBondContact N-O 2.87Å; V235-T243 PolarHBondContact O-N 3.4Å; N237-T243 PolarHBondContact ND2-OG1 2.95Å; N237-T243 PolarHBondContact OD1-OG1 3.22Å; T243-E245 HydrophobicContact CG2-CG 4.44Å; T243-E252 CarbonylContact C-O 3.22Å; T243-E252 WeakPolarHBondContact CA-O 3Å; T243-T253 PolarHBondContact OG1-OG1 3.15Å
244L98.9Very high98.7Very high1 Ų155.3 Ų55.31%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-80118.5169.2174.460.2000108.8V173 F196 P231 V234 L246 S251 E252 L257 W259V173-L244 HydrophobicContact CG2-CD2 3.87Å; F196-L244 HydrophobicContact CD1-CD2 4.13Å; F196-L244 HydrophobicContact CD2-CD2 3.81Å; F196-L244 HydrophobicContact CE1-CD2 4.14Å; F196-L244 HydrophobicContact CE2-CD2 3.81Å; F196-L244 HydrophobicContact CG-CD2 3.98Å; F196-L244 HydrophobicContact CZ-CD2 3.99Å; P231-L244 HydrophobicContact CB-CD1 4.02Å; V234-L244 HydrophobicContact CG2-CD1 4.09Å; L244-L246 HydrophobicContact CD1-CD2 4.4Å; L244-L246 HydrophobicContact CD2-CD2 4.1Å; L244-L246 HydrophobicContact CG-CD2 4Å; L244-S251 CarbonylContact O-C 3.54Å; L244-S251 WeakPolarHBondContact O-CA 3.26Å; L244-E252 PolarHBondContact N-O 3.07Å; L244-E252 PolarHBondContact O-N 3.42Å; L244-L257 HydrophobicContact CB-CD1 3.99Å; L244-L257 HydrophobicContact CD1-CD1 4.03Å; L244-L257 HydrophobicContact CD2-CD1 4.15Å; L244-L257 HydrophobicContact CG-CD1 4.27Å; L244-W259 HydrophobicContact CD1-CH2 4.43Å
245E98.9Very high98.7Very high73 Ų7357.9 Ų57.934%0.34134%0.342SS..EExtended strand (participates in β ladder)trans-97.5135.3172.7-61.1-172.8163.100110.3K232 A233 T243K232-E245 WeakPolarHBondContact CB-O 3.49Å; K232-E245 PolarHBondContact N-O 3.22Å; A233-E245 PolarHBondContact N-O 2.96Å; A233-E245 PolarHBondContact O-N 2.97Å; T243-E245 HydrophobicContact CG2-CG 4.44Å
246L98.9Very high98.7Very high4 Ų455.6 Ų55.62%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-104157.2177.2-55.3-175.8000111.4F196 A229 I230 L244 D248 G249 R250F196-L246 HydrophobicContact CD1-CD1 3.99Å; F196-L246 HydrophobicContact CD1-CD2 4.23Å; F196-L246 HydrophobicContact CE1-CD1 4.08Å; A229-L246 HydrophobicContact CB-CD1 3.58Å; A229-L246 HydrophobicContact CB-CD2 4.19Å; I230-L246 CarbonylContact O-C 3.57Å; I230-L246 VanDerWaalsContact O-CA 3.3Å; I230-L246 WeakPolarHBondContact O-CA 3.45Å; L244-L246 HydrophobicContact CD1-CD2 4.4Å; L244-L246 HydrophobicContact CD2-CD2 4.1Å; L244-L246 HydrophobicContact CG-CD2 4Å; L246-D248 WeakPolarHBondContact CB-OD1 3.4Å; L246-D248 PolarHBondContact O-N 2.94Å; L246-G249 PolarHBondContact O-N 3.39Å; L246-G249 VanDerWaalsContact O-N 3.1Å; L246-R250 HydrophobicContact CD1-CB 4.09Å; L246-R250 PolarHBondContact N-O 3.25Å
247E98.7Very high98.7Very high127 Ų12750 Ų5059%0.59330%0.304SS*.THydrogen-bonded Turntrans-60.2-28.7177.7-73.3-173.6171.500113.5I230 K232 G249I230-E247 HydrophobicContact CB-CB 4.31Å; I230-E247 HydrophobicContact CB-CG 4.04Å; I230-E247 VanDerWaalsContact CG2-CD 3.41Å; I230-E247 HydrophobicContact CG2-CG 3.93Å; I230-E247 WeakPolarHBondContact CG2-OE1 3.33Å; I230-E247 PolarHBondContact O-N 3.18Å; K232-E247 HydrophobicContact CB-CG 4.22Å; E247-G249 PolarHBondContact O-N 3.18Å
248D98.3Very high98.7Very high85 Ų8547.6 Ų47.646%0.45529%0.292SS..THydrogen-bonded Turntrans-82.63.61796714.1000114.1L246 R250L246-D248 WeakPolarHBondContact CB-OD1 3.4Å; L246-D248 PolarHBondContact O-N 2.94Å; D248-R250 VanDerWaalsContact C-N 3.35Å; D248-R250 WeakPolarHBondContact OD1-CB 3.22Å; D248-R250 WeakPolarHBondContact OD1-CG 3.32Å; D248-R250 PolarHBondContact OD1-N 3.25Å; D248-R250 IonicContact OD1-NE 2.76Å; D248-R250 PolarHBondContact OD1-NE 2.86Å; D248-R250 IonicContact OD2-CZ 2.88Å; D248-R250 IonicContact OD2-NE 3.74Å; D248-R250 PolarHBondContact OD2-NE 3.16Å; D248-R250 IonicContact OD2-NH2 3.67Å; D248-R250 PolarHBondContact OD2-NH2 2.64Å
249G98.3Very high98.7Very high67 Ų6742.1 Ų42.169%0.69125%0.246SC*.SBendtrans86.5-4.8177.400000115.1L246 E247L246-G249 PolarHBondContact O-N 3.39Å; L246-G249 VanDerWaalsContact O-N 3.1Å; E247-G249 PolarHBondContact O-N 3.18Å
250R98.7Very high98.8Very high90 Ų9036.8 Ų36.834%0.3422%0.219SC..  trans-67153.5166.9-67-179.2-67.7166-7.6110.3T227 L246 D248T227-R250 PolarHBondContact O-NH2 2.94Å; L246-R250 HydrophobicContact CD1-CB 4.09Å; L246-R250 PolarHBondContact N-O 3.25Å; D248-R250 VanDerWaalsContact C-N 3.35Å; D248-R250 WeakPolarHBondContact OD1-CB 3.22Å; D248-R250 WeakPolarHBondContact OD1-CG 3.32Å; D248-R250 PolarHBondContact OD1-N 3.25Å; D248-R250 IonicContact OD1-NE 2.76Å; D248-R250 PolarHBondContact OD1-NE 2.86Å; D248-R250 IonicContact OD2-CZ 2.88Å; D248-R250 IonicContact OD2-NE 3.74Å; D248-R250 PolarHBondContact OD2-NE 3.16Å; D248-R250 IonicContact OD2-NH2 3.67Å; D248-R250 PolarHBondContact OD2-NH2 2.64Å
251S98.7Very high98.8Very high75 Ų7538.6 Ų38.652%0.52422%0.218SC..EExtended strand (participates in β ladder)trans-142.1157.5172.659.60000111.2L244L244-S251 CarbonylContact O-C 3.54Å; L244-S251 WeakPolarHBondContact O-CA 3.26Å
252E98.8Very high98.7Very high40 Ų4040 Ų4019%0.18723%0.234CC..EExtended strand (participates in β ladder)trans-143.1131176.5-169.567.8-98.600110.4H194 F196 H226 T243 L244 V254H194-E252 IonicContact CE1-OE1 3.86Å; H194-E252 IonicContact CE1-OE2 2.89Å; H194-E252 PolarHBondContact CE1-OE2 2.89Å; H194-E252 IonicContact ND1-OE2 3.26Å; H194-E252 PolarHBondContact ND1-OE2 3.36Å; H194-E252 IonicContact NE2-OE2 3.96Å; F196-E252 HydrophobicContact CE1-CB 4.47Å; F196-E252 HydrophobicContact CZ-CB 3.77Å; F196-E252 HydrophobicContact CZ-CG 4.09Å; H226-E252 IonicContact CE1-OE2 3.19Å; H226-E252 IonicContact NE2-OE2 3.08Å; T243-E252 CarbonylContact C-O 3.22Å; T243-E252 WeakPolarHBondContact CA-O 3Å; L244-E252 PolarHBondContact N-O 3.07Å; L244-E252 PolarHBondContact O-N 3.42Å; E252-V254 HydrophobicContact CG-CG1 4.14Å
253T98.8Very high98.7Very high50 Ų5041.1 Ų41.131%0.30724%0.237SC..EExtended strand (participates in β ladder)trans-100.8123.4179.7-57.10000110.8S241 L242 T243S241-T253 WeakPolarHBondContact OG-CG2 3.08Å; L242-T253 CarbonylContact O-C 3.5Å; L242-T253 VanDerWaalsContact O-CA 3.26Å; L242-T253 WeakPolarHBondContact O-CA 3.18Å; T243-T253 PolarHBondContact OG1-OG1 3.15Å
254V98.9Very high98.7Very high0 Ų043.5 Ų43.50%025%0.247CC..EExtended strand (participates in β ladder)trans-135.5167.4-174.2-62.80000111.6R169 A171 L242 E252 C256R169-V254 HydrophobicContact CB-CB 4.17Å; R169-V254 HydrophobicContact CB-CG1 4.25Å; A171-V254 HydrophobicContact CB-CB 4.43Å; A171-V254 HydrophobicContact CB-CG1 3.99Å; A171-V254 HydrophobicContact CB-CG2 3.84Å; L242-V254 HydrophobicContact CB-CG2 4.29Å; L242-V254 PolarHBondContact N-O 3.43Å; L242-V254 PolarHBondContact O-N 3.3Å; E252-V254 HydrophobicContact CG-CG1 4.14Å; V254-C256 WeakPolarHBondContact CG2-O 3.35Å
255D98.8Very high98.7Very high60 Ų6044 Ų4432%0.32125%0.25SS..SBendtrans-92.6-23.3176.9-55-63.9000112.1P167 R169P167-D255 HydrophobicContact CB-CB 4.09Å; R169-D255 WeakPolarHBondContact CB-OD2 3.44Å; R169-D255 IonicContact CZ-OD1 3.5Å; R169-D255 IonicContact CZ-OD2 3.62Å; R169-D255 PolarHBondContact N-OD2 2.97Å; R169-D255 IonicContact NE-OD1 3.55Å; R169-D255 IonicContact NE-OD2 2.87Å; R169-D255 PolarHBondContact NE-OD2 3.26Å; R169-D255 IonicContact NH2-OD1 2.68Å; R169-D255 PolarHBondContact NH2-OD1 2.89Å; R169-D255 IonicContact NH2-OD2 3.52Å; R169-D255 PolarHBondContact O-N 3.27Å
256C98.9Very high98.7Very high11 Ų1141.7 Ų41.77%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-145.8140-179.51790000110.1I155 P167 R169 V170 A171 V254I155-C256 WeakPolarHBondContact CD1-SG 3.23Å; P167-C256 HydrophobicContact CB-CB 3.77Å; P167-C256 HydrophobicContact CG-CB 3.51Å; R169-C256 PolarHBondContact O-N 3.03Å; V170-C256 WeakPolarHBondContact CA-O 3.3Å; V170-C256 HydrophobicContact CG2-CB 4.37Å; A171-C256 PolarHBondContact N-O 3.44Å; V254-C256 WeakPolarHBondContact CG2-O 3.35Å
257L98.9Very high98.7Very high1 Ų141.8 Ų41.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-124130.6175.3-176.6150.1000109.4G154 I155 A171 V173 V234 L242 L244 W259G154-L257 CarbonylContact C-O 3.52Å; G154-L257 VanDerWaalsContact CA-O 3.31Å; G154-L257 WeakPolarHBondContact CA-O 3.37Å; I155-L257 WeakPolarHBondContact CG1-O 3.45Å; I155-L257 PolarHBondContact N-O 2.9Å; A171-L257 HydrophobicContact CB-CB 4.39Å; A171-L257 HydrophobicContact CB-CD1 4.21Å; A171-L257 HydrophobicContact CB-CG 4.12Å; A171-L257 CarbonylContact O-C 3.58Å; A171-L257 WeakPolarHBondContact O-CA 3.47Å; V173-L257 HydrophobicContact CG2-CD1 4.5Å; V173-L257 HydrophobicContact CG2-CG 4.49Å; V234-L257 HydrophobicContact CG1-CD1 4.46Å; V234-L257 HydrophobicContact CG2-CD1 3.92Å; L242-L257 HydrophobicContact CD1-CB 4.09Å; L244-L257 HydrophobicContact CB-CD1 3.99Å; L244-L257 HydrophobicContact CD1-CD1 4.03Å; L244-L257 HydrophobicContact CD2-CD1 4.15Å; L244-L257 HydrophobicContact CG-CD1 4.27Å; L257-W259 HydrophobicContact CD1-CH2 4.19Å; L257-W259 HydrophobicContact CD1-CZ2 4.38Å; L257-W259 HydrophobicContact CD2-CD2 3.49Å; L257-W259 VanDerWaalsContact CD2-CD2 3.49Å; L257-W259 HydrophobicContact CD2-CE3 3.81Å; L257-W259 HydrophobicContact CD2-CG 4.12Å; L257-W259 HydrophobicContact CD2-CH2 3.64Å; L257-W259 HydrophobicContact CD2-CZ2 3.34Å; L257-W259 HydrophobicContact CD2-CZ3 3.87Å
258I99Very high98.6Very high0 Ų039.8 Ų39.80%024%0.238CC..EExtended strand (participates in β ladder)trans-115.3117.7-178.2-51179.5000109.9I155 F160 V170 A171 V172 V173 L182 I186I155-I258 HydrophobicContact CD1-CG1 4.17Å; I155-I258 HydrophobicContact CG1-CG1 3.94Å; I155-I258 CarbonylContact O-C 3.59Å; I155-I258 WeakPolarHBondContact O-CA 3.25Å; F160-I258 HydrophobicContact CB-CD1 4.25Å; F160-I258 HydrophobicContact CD2-CD1 3.94Å; F160-I258 HydrophobicContact CG-CD1 4.47Å; V170-I258 HydrophobicContact CG1-CD1 3.98Å; V170-I258 HydrophobicContact CG1-CG1 4.16Å; A171-I258 PolarHBondContact O-N 3.26Å; V172-I258 HydrophobicContact CG2-CB 4.4Å; V172-I258 HydrophobicContact CG2-CD1 4.27Å; V173-I258 PolarHBondContact N-O 3.37Å; L182-I258 HydrophobicContact CD1-CG2 4.11Å; I186-I258 HydrophobicContact CD1-CD1 3.54Å
259W98.9Very high98.6Very high2 Ų239.5 Ų39.51%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-80.1113.7169.3-59.1121.5000110.2H145 P146 I148 V151 I155 V173 P231 V234 L244 L257 I261H145-W259 AromaticContact CD2-CD1 3.73Å; P146-W259 HydrophobicContact CG-CD2 3.76Å; P146-W259 HydrophobicContact CG-CE3 3.75Å; P146-W259 HydrophobicContact CG-CG 4.49Å; P146-W259 HydrophobicContact CG-CH2 3.93Å; P146-W259 HydrophobicContact CG-CZ2 3.88Å; P146-W259 HydrophobicContact CG-CZ3 3.84Å; I148-W259 HydrophobicContact CD1-CH2 3.72Å; I148-W259 HydrophobicContact CD1-CZ2 4.15Å; V151-W259 PolarHBondContact O-NE1 3.06Å; I155-W259 PolarHBondContact O-N 3.03Å; V173-W259 HydrophobicContact CB-CE3 3.77Å; V173-W259 HydrophobicContact CB-CZ3 3.78Å; V173-W259 HydrophobicContact CG1-CE3 4.11Å; V173-W259 HydrophobicContact CG1-CZ3 3.88Å; V173-W259 HydrophobicContact CG2-CE3 4.11Å; V173-W259 HydrophobicContact CG2-CZ3 3.74Å; P231-W259 HydrophobicContact CB-CH2 4.29Å; P231-W259 HydrophobicContact CB-CZ3 4.23Å; P231-W259 HydrophobicContact CG-CZ3 4.09Å; V234-W259 HydrophobicContact CG2-CH2 3.88Å; V234-W259 HydrophobicContact CG2-CZ2 3.72Å; L244-W259 HydrophobicContact CD1-CH2 4.43Å; L257-W259 HydrophobicContact CD1-CH2 4.19Å; L257-W259 HydrophobicContact CD1-CZ2 4.38Å; L257-W259 HydrophobicContact CD2-CD2 3.49Å; L257-W259 VanDerWaalsContact CD2-CD2 3.49Å; L257-W259 HydrophobicContact CD2-CE3 3.81Å; L257-W259 HydrophobicContact CD2-CG 4.12Å; L257-W259 HydrophobicContact CD2-CH2 3.64Å; L257-W259 HydrophobicContact CD2-CZ2 3.34Å; L257-W259 HydrophobicContact CD2-CZ3 3.87Å; W259-I261 HydrophobicContact CE3-CG2 4.46Å
260A98.8Very high98.6Very high12 Ų1236.5 Ų36.510%0.09920%0.204CC..  trans-13044175.700000110.2V172 V173 G174 I178 A179V172-A260 HydrophobicContact CG1-CB 4.42Å; V173-A260 CarbonylContact O-C 3.56Å; V173-A260 WeakPolarHBondContact O-CA 3.29Å; V173-A260 PolarHBondContact O-N 2.84Å; G174-A260 WeakPolarHBondContact CA-O 3.48Å; I178-A260 HydrophobicContact CB-CB 4.47Å; I178-A260 HydrophobicContact CG2-CB 4.04Å; A179-A260 HydrophobicContact CB-CB 3.77Å
261I98.5Very high98.6Very high78 Ų7835.6 Ų35.640%0.421%0.206SC..SBendtrans-86.8-13.2-170.461.5164.2000114.1S144 P146 V173 W259S144-I261 WeakPolarHBondContact O-CG1 3.27Å; P146-I261 HydrophobicContact CB-CD1 4.03Å; P146-I261 HydrophobicContact CG-CD1 4.36Å; V173-I261 HydrophobicContact CG1-CG2 4.12Å; V173-I261 WeakPolarHBondContact O-CG2 3.28Å; W259-I261 HydrophobicContact CE3-CG2 4.46Å
262G97.9Very high98.6Very high37 Ų3732.2 Ų32.238%0.38118%0.182SC..  trans158.2179-176.900000111.8S144S144-G262 PolarHBondContact N-O 2.75Å
263R98.7Very high98.5Very high33 Ų3336.8 Ų36.813%0.12520%0.204CC..EExtended strand (participates in β ladder)trans-132.4159.3173.3-63.6178.166.574.3-0.4108.8G141 R142G141-R263 VanDerWaalsContact C-NH2 3.28Å; G141-R263 PolarHBondContact O-NH2 2.78Å; R142-R263 CarbonylContact O-C 3.51Å; R142-R263 WeakPolarHBondContact O-CA 3.47Å; R142-R263 WeakPolarHBondContact O-CB 3.29Å
264E98.5Very high98.5Very high68 Ų6836.3 Ų36.332%0.31821%0.205SC..EExtended strand (participates in β ladder)trans-132.1149.9178.462-167.1-136.200110.7G141 R142 S144G141-E264 CarbonylContact C-O 3.53Å; G141-E264 WeakPolarHBondContact CA-O 3.43Å; R142-E264 HydrophobicContact CG-CG 3.57Å; R142-E264 IonicContact CZ-OE1 3.42Å; R142-E264 VanDerWaalsContact CZ-OE1 3.28Å; R142-E264 PolarHBondContact N-O 2.99Å; R142-E264 IonicContact NE-OE1 3.68Å; R142-E264 PolarHBondContact NE-OE1 2.95Å; R142-E264 IonicContact NH2-OE1 2.69Å; R142-E264 PolarHBondContact NH2-OE1 3.44Å; R142-E264 PolarHBondContact O-N 2.98Å; S144-E264 PolarHBondContact OG-OE2 3.36Å
265P98.7Very high98.5Very high10 Ų1036.5 Ų36.57%0.06521%0.207CC..EExtended strand (participates in β ladder)trans-72.6142.1-17629-34.4000112.6N267 G283 Y284P265-N267 VanDerWaalsContact C-N 3.25Å; P265-N267 PolarHBondContact O-N 2.92Å; P265-G283 VanDerWaalsContact CG-C 3.44Å; P265-G283 WeakPolarHBondContact CG-O 3.3Å; P265-Y284 HydrophobicContact CB-CD1 3.6Å; P265-Y284 HydrophobicContact CB-CE1 3.89Å; P265-Y284 HydrophobicContact CB-CG 4.34Å; P265-Y284 HydrophobicContact CG-CD1 3.66Å; P265-Y284 HydrophobicContact CG-CD2 4.46Å; P265-Y284 HydrophobicContact CG-CE1 3.93Å; P265-Y284 HydrophobicContact CG-CG 3.98Å
266A98.7Very high98.4Very high25 Ų2535.4 Ų35.421%0.20721%0.21CC..SBendtrans-8757.9178.200000112T139 G140T139-A266 WeakPolarHBondContact CB-O 3.35Å; T139-A266 PolarHBondContact OG1-O 3.46Å; G140-A266 PolarHBondContact O-N 2.89Å
267N98.6Very high98.4Very high7 Ų735.4 Ų35.44%0.03721%0.209CC..  trans-108.3-9.5-176-68.2-29000114T139 P265 L272 G283 I285 N304T139-N267 PolarHBondContact OG1-OD1 2.73Å; P265-N267 VanDerWaalsContact C-N 3.25Å; P265-N267 PolarHBondContact O-N 2.92Å; N267-L272 HydrophobicContact CB-CD1 4.32Å; N267-G283 PolarHBondContact ND2-O 3.34Å; N267-I285 PolarHBondContact ND2-N 2.94Å; N267-I285 WeakPolarHBondContact OD1-CD1 3.47Å; N267-N304 PolarHBondContact ND2-O 3.37Å; N267-N304 VanDerWaalsContact ND2-O 3.09Å; N267-N304 WeakPolarHBondContact OD1-CB 3.43Å
268D97.9Very high98.4Very high84 Ų8441.7 Ų41.745%0.44924%0.236SC..THydrogen-bonded Turntrans-84-16.3-166.763-25.8000114.9R142R142-D268 IonicContact CZ-OD1 3.34Å; R142-D268 IonicContact CZ-OD2 2.83Å; R142-D268 IonicContact NH1-OD1 2.93Å; R142-D268 PolarHBondContact NH1-OD1 2.91Å; R142-D268 IonicContact NH1-OD2 3.16Å; R142-D268 PolarHBondContact NH1-OD2 2.83Å; R142-D268 VanDerWaalsContact NH2-CG 3.34Å; R142-D268 IonicContact NH2-OD1 3.28Å; R142-D268 IonicContact NH2-OD2 3.19Å; R142-D268 PolarHBondContact NH2-OD2 3.27Å
269N97.9Very high98.4Very high79 Ų7944.9 Ų44.942%0.42226%0.256SS..THydrogen-bonded Turntrans-115.57.1-172-78.1-70.7000114.4F114 R116F114-N269 HydrophobicContact CE1-CB 4.5Å; F114-N269 VanDerWaalsContact CE1-O 3.26Å; F114-N269 WeakPolarHBondContact CE1-O 3.43Å; F114-N269 HydrophobicContact CZ-CB 3.95Å; R116-N269 PolarHBondContact NH1-O 3.35Å
270I98.4Very high98.4Very high4 Ų447.5 Ų47.52%0.02127%0.27CS..SBendtrans-102.112-175.768.5179.4000113.9F114 R116 F117 I137 T139 L272F114-I270 HydrophobicContact CE1-CG2 3.96Å; F114-I270 HydrophobicContact CZ-CG2 3.68Å; R116-I270 WeakPolarHBondContact CA-O 3.45Å; F117-I270 HydrophobicContact CD2-CD1 4.44Å; F117-I270 HydrophobicContact CD2-CG1 4.39Å; F117-I270 HydrophobicContact CE2-CD1 4.14Å; F117-I270 PolarHBondContact N-O 2.65Å; I137-I270 HydrophobicContact CG2-CD1 3.8Å; T139-I270 HydrophobicContact CG2-CD1 4.21Å; I270-L272 VanDerWaalsContact C-N 3.29Å; I270-L272 HydrophobicContact CD1-CD1 4.12Å; I270-L272 HydrophobicContact CG1-CB 4.03Å; I270-L272 HydrophobicContact CG1-CD1 4.36Å; I270-L272 PolarHBondContact O-N 2.89Å
271N98.4Very high98.3Very high72 Ų7255.3 Ų55.339%0.38531%0.305SS..  trans55.843.1-176.5-166.831.8000112.4R116 F117 E273 A274R116-N271 HydrophobicContact CB-CB 4.49Å; F117-N271 WeakPolarHBondContact CB-O 3.45Å; F117-N271 PolarHBondContact O-ND2 2.98Å; N271-E273 PolarHBondContact O-N 3.24Å; N271-E273 VanDerWaalsContact O-N 3.14Å; N271-A274 WeakPolarHBondContact ND2-CB 3.18Å; N271-A274 WeakPolarHBondContact O-CB 3.31Å; N271-A274 PolarHBondContact O-N 2.93Å
272L98Very high98.3Very high4 Ų458.7 Ų58.72%0.02132%0.316CS..Hα-helixtrans-61.8-24.1-172.8-171.1143.2000112I137 N267 I270 A274 A275 G276 V277 T279 I285I137-L272 HydrophobicContact CD1-CD1 4.24Å; N267-L272 HydrophobicContact CB-CD1 4.32Å; I270-L272 VanDerWaalsContact C-N 3.29Å; I270-L272 HydrophobicContact CD1-CD1 4.12Å; I270-L272 HydrophobicContact CG1-CB 4.03Å; I270-L272 HydrophobicContact CG1-CD1 4.36Å; I270-L272 PolarHBondContact O-N 2.89Å; L272-A274 VanDerWaalsContact C-N 3.3Å; L272-A274 PolarHBondContact O-N 3.35Å; L272-A275 PolarHBondContact O-N 2.9Å; L272-G276 PolarHBondContact O-N 3.41Å; L272-V277 HydrophobicContact CD1-CB 4.46Å; L272-V277 HydrophobicContact CD1-CG1 4.32Å; L272-V277 HydrophobicContact CD2-CB 3.55Å; L272-V277 HydrophobicContact CD2-CG1 3.88Å; L272-V277 WeakPolarHBondContact CD2-O 3.26Å; L272-V277 HydrophobicContact CG-CB 3.9Å; L272-V277 HydrophobicContact CG-CG1 4.27Å; L272-T279 HydrophobicContact CD2-CG2 4.15Å; L272-I285 HydrophobicContact CD1-CD1 3.74Å; L272-I285 HydrophobicContact CD1-CG1 3.89Å
273E97.6Very high98.3Very high135 Ų13558 Ų5863%0.63131%0.31SS*.Hα-helixtrans-60.3-37.4174.9-58.372.4-155.500112.1N271 A275 G276N271-E273 PolarHBondContact O-N 3.24Å; N271-E273 VanDerWaalsContact O-N 3.14Å; E273-A275 PolarHBondContact O-N 3.32Å; E273-G276 PolarHBondContact O-N 3.34Å
274A98.2Very high98.3Very high40 Ų4058 Ų5833%0.33131%0.31SS..Hα-helixtrans-65.9-25.9178.700000112.7N271 L272N271-A274 WeakPolarHBondContact ND2-CB 3.18Å; N271-A274 WeakPolarHBondContact O-CB 3.31Å; N271-A274 PolarHBondContact O-N 2.93Å; L272-A274 VanDerWaalsContact C-N 3.3Å; L272-A274 PolarHBondContact O-N 3.35Å
275A98.3Very high98.3Very high5 Ų554.8 Ų54.84%0.04130%0.295CS..Hα-helixtrans-85-16.6173.200000113.2F117 L272 E273 V277 I295 I298F117-A275 HydrophobicContact CB-CB 4.34Å; F117-A275 HydrophobicContact CD1-CB 3.73Å; F117-A275 HydrophobicContact CD2-CB 4.38Å; F117-A275 HydrophobicContact CE1-CB 4.02Å; F117-A275 HydrophobicContact CG-CB 3.91Å; F117-A275 HydrophobicContact CZ-CB 4.48Å; L272-A275 PolarHBondContact O-N 2.9Å; E273-A275 PolarHBondContact O-N 3.32Å; A275-V277 VanDerWaalsContact C-N 3.32Å; A275-V277 HydrophobicContact CB-CG2 4.08Å; A275-I295 WeakPolarHBondContact O-CG1 3.43Å; A275-I298 HydrophobicContact CB-CD1 3.87Å
276G98.3Very high98.3Very high37 Ų3757.9 Ų57.938%0.38131%0.313SS..THydrogen-bonded Turntrans75.715.1-176.900000114.8L272 E273 N294 I295L272-G276 PolarHBondContact O-N 3.41Å; E273-G276 PolarHBondContact O-N 3.34Å; G276-N294 PolarHBondContact O-ND2 2.98Å; G276-I295 WeakPolarHBondContact O-CD1 3.11Å
277V98.7Very high98.3Very high10 Ų1058.8 Ų58.86%0.06132%0.316CS..  trans-72.8137.1179.61750000110L272 A275 I285 T293 N294 I295 I298L272-V277 HydrophobicContact CD1-CB 4.46Å; L272-V277 HydrophobicContact CD1-CG1 4.32Å; L272-V277 HydrophobicContact CD2-CB 3.55Å; L272-V277 HydrophobicContact CD2-CG1 3.88Å; L272-V277 WeakPolarHBondContact CD2-O 3.26Å; L272-V277 HydrophobicContact CG-CB 3.9Å; L272-V277 HydrophobicContact CG-CG1 4.27Å; A275-V277 VanDerWaalsContact C-N 3.32Å; A275-V277 HydrophobicContact CB-CG2 4.08Å; V277-I285 HydrophobicContact CG1-CG1 4.28Å; V277-I285 HydrophobicContact CG1-CG2 3.78Å; V277-T293 HydrophobicContact CG1-CG2 3.93Å; V277-N294 WeakPolarHBondContact CA-OD1 3.48Å; V277-I295 HydrophobicContact CG2-CB 4.33Å; V277-I295 HydrophobicContact CG2-CG1 3.95Å; V277-I298 HydrophobicContact CG2-CB 4.37Å; V277-I298 HydrophobicContact CG2-CD1 3.85Å; V277-I298 HydrophobicContact CG2-CG2 3.91Å
278K98.6Very high98.3Very high134 Ų13462 Ų6258%0.58333%0.333SS*.  trans-90.7140.1-179-69.4177.1-177.6179.70111.6V286 N294K278-V286 PolarHBondContact O-N 2.84Å; K278-N294 WeakPolarHBondContact CB-OD1 3.33Å; K278-N294 HydrophobicContact CD-CB 4.25Å; K278-N294 PolarHBondContact N-OD1 3.34Å
279T98.7Very high98.4Very high66 Ų6663.6 Ų63.641%0.40534%0.336SS..BIsolated β-bridgetrans-113.9158.7167.654.80000110.6L272 Y284 I285L272-T279 HydrophobicContact CD2-CG2 4.15Å; T279-Y284 CarbonylContact C-O 3.18Å; T279-Y284 WeakPolarHBondContact CA-O 3.31Å; T279-Y284 WeakPolarHBondContact CB-O 3.35Å; T279-I285 HydrophobicContact CG2-CG1 4.15Å
280N98.4Very high98.4Very high58 Ų5862.7 Ų62.731%0.3133%0.327SS..  trans-84.1-178.8170.768.916.3000111.6K282 G283 Y284 V286N280-K282 PolarHBondContact O-N 3.44Å; N280-K282 PolarHBondContact OD1-N 3.26Å; N280-G283 PolarHBondContact O-N 3.3Å; N280-G283 PolarHBondContact OD1-N 2.94Å; N280-Y284 PolarHBondContact N-O 3.13Å; N280-Y284 PolarHBondContact OD1-N 3.48Å; N280-V286 HydrophobicContact CB-CG2 4.21Å
281E97.7Very high98.4Very high176 Ų17662.9 Ų62.982%0.82233%0.328SS*.THydrogen-bonded Turntrans-63.7-13.6-176.869.8-83.7-177.300114.9
282K97.7Very high98.5Very high148 Ų14861.3 Ų61.364%0.64332%0.32SS*.THydrogen-bonded Turntrans-99.83.6175.9-60.6178.4-174.1174.30112.7N280 Y284N280-K282 PolarHBondContact O-N 3.44Å; N280-K282 PolarHBondContact OD1-N 3.26Å; K282-Y284 HydrophobicContact CB-CD2 3.69Å; K282-Y284 HydrophobicContact CB-CE2 3.83Å; K282-Y284 HydrophobicContact CD-CE2 4.21Å
283G98.3Very high98.5Very high24 Ų2461.8 Ų61.825%0.24732%0.323CS..SBendtrans82.54.8179.600000115.3P265 N267 N280P265-G283 VanDerWaalsContact CG-C 3.44Å; P265-G283 WeakPolarHBondContact CG-O 3.3Å; N267-G283 PolarHBondContact ND2-O 3.34Å; N280-G283 PolarHBondContact O-N 3.3Å; N280-G283 PolarHBondContact OD1-N 2.94Å
284Y98.8Very high98.6Very high32 Ų3258.7 Ų58.713%0.12531%0.311CS..PPolyproline II helixtrans-76141.4175.6-64-76.9000110.6P265 T279 N280 K282 V286 D303 N304 E309P265-Y284 HydrophobicContact CB-CD1 3.6Å; P265-Y284 HydrophobicContact CB-CE1 3.89Å; P265-Y284 HydrophobicContact CB-CG 4.34Å; P265-Y284 HydrophobicContact CG-CD1 3.66Å; P265-Y284 HydrophobicContact CG-CD2 4.46Å; P265-Y284 HydrophobicContact CG-CE1 3.93Å; P265-Y284 HydrophobicContact CG-CG 3.98Å; T279-Y284 CarbonylContact C-O 3.18Å; T279-Y284 WeakPolarHBondContact CA-O 3.31Å; T279-Y284 WeakPolarHBondContact CB-O 3.35Å; N280-Y284 PolarHBondContact N-O 3.13Å; N280-Y284 PolarHBondContact OD1-N 3.48Å; K282-Y284 HydrophobicContact CB-CD2 3.69Å; K282-Y284 HydrophobicContact CB-CE2 3.83Å; K282-Y284 HydrophobicContact CD-CE2 4.21Å; Y284-V286 PolarHBondContact O-N 3.18Å; Y284-D303 VanDerWaalsContact CD1-O 3.31Å; Y284-D303 WeakPolarHBondContact CD1-O 3.37Å; Y284-D303 WeakPolarHBondContact CE1-O 3.04Å; Y284-N304 CarbonylContact C-O 3.11Å; Y284-N304 WeakPolarHBondContact CA-O 3.43Å; Y284-E309 PolarHBondContact OH-OE1 3.2Å
285I98.9Very high98.6Very high1 Ų158.9 Ų58.91%0.00531%0.306CS..BIsolated β-bridgetrans-68.4129.4176.6-69.8161.8000109.4I137 N267 L272 V277 T279 V287 T293 A300 N304I137-I285 HydrophobicContact CB-CD1 4Å; I137-I285 HydrophobicContact CD1-CD1 3.88Å; I137-I285 HydrophobicContact CG2-CD1 3.7Å; N267-I285 PolarHBondContact ND2-N 2.94Å; N267-I285 WeakPolarHBondContact OD1-CD1 3.47Å; L272-I285 HydrophobicContact CD1-CD1 3.74Å; L272-I285 HydrophobicContact CD1-CG1 3.89Å; V277-I285 HydrophobicContact CG1-CG1 4.28Å; V277-I285 HydrophobicContact CG1-CG2 3.78Å; T279-I285 HydrophobicContact CG2-CG1 4.15Å; I285-V287 HydrophobicContact CG2-CG1 4.09Å; I285-T293 HydrophobicContact CG2-CG2 3.68Å; I285-A300 HydrophobicContact CB-CB 4.04Å; I285-A300 HydrophobicContact CD1-CB 4.01Å; I285-A300 HydrophobicContact CG2-CB 3.67Å; I285-N304 PolarHBondContact N-O 2.91Å
286V98.7Very high98.6Very high75 Ų7567 Ų6746%0.45534%0.343SS..PPolyproline II helixtrans-78.2124.4177.8-179.50000109.1K278 N280 Y284K278-V286 PolarHBondContact O-N 2.84Å; N280-V286 HydrophobicContact CB-CG2 4.21Å; Y284-V286 PolarHBondContact O-N 3.18Å
287V98.9Very high98.6Very high44 Ų4465.5 Ų65.527%0.26733%0.327SS..  trans-128.9153.5177.6-63.10000112.4I285 N292 T293 A300 T305I285-V287 HydrophobicContact CG2-CG1 4.09Å; V287-N292 CarbonylContact C-O 3.45Å; V287-N292 WeakPolarHBondContact CA-O 3.38Å; V287-T293 HydrophobicContact CG1-CG2 4.43Å; V287-A300 HydrophobicContact CG1-CB 3.84Å; V287-T305 HydrophobicContact CG1-CG2 4.16Å; V287-T305 HydrophobicContact CG2-CG2 4.18Å
288D98.7Very high98.6Very high73 Ų7365 Ų6539%0.3932%0.324SS..  trans-82.5-177.1167.475.86.5000112.4Y290 Q291 N292D288-Y290 PolarHBondContact O-N 3.31Å; D288-Y290 VanDerWaalsContact O-N 3.11Å; D288-Y290 VanDerWaalsContact OD1-CA 3.32Å; D288-Y290 WeakPolarHBondContact OD1-CA 3.3Å; D288-Y290 WeakPolarHBondContact OD1-CB 3.42Å; D288-Y290 PolarHBondContact OD1-N 2.91Å; D288-Q291 PolarHBondContact O-N 3.46Å; D288-Q291 PolarHBondContact OD1-N 3.2Å; D288-Q291 VanDerWaalsContact OD1-N 3.11Å; D288-N292 PolarHBondContact N-O 2.96Å; D288-N292 WeakPolarHBondContact OD1-CB 3.4Å; D288-N292 PolarHBondContact OD1-N 2.74Å; D288-N292 PolarHBondContact OD1-ND2 3.34Å; D288-N292 WeakPolarHBondContact OD2-CB 3.26Å; D288-N292 PolarHBondContact OD2-ND2 3.13Å
289K98.6Very high98.6Very high119 Ų11959 Ų5952%0.51730%0.298SS..THydrogen-bonded Turntrans-53.8-27.9176.8178.4176.6177.1177.50114.1H333K289-H333 WeakPolarHBondContact CE-CD2 3.32Å; K289-H333 WeakPolarHBondContact CE-CE1 3.11Å; K289-H333 VanDerWaalsContact CE-CG 3.47Å; K289-H333 WeakPolarHBondContact CE-NE2 3.45Å; K289-H333 HydrophobicContact CG-CB 4.33Å; K289-H333 PolarHBondContact NZ-CE1 2.74Å; K289-H333 PolarHBondContact NZ-NE2 3.29Å
290Y98.8Very high98.6Very high59 Ų5955.9 Ų55.923%0.23128%0.279CS..THydrogen-bonded Turntrans-100.911-175.6-61.6-79000112.5D288 N292 R324 D331 H333D288-Y290 PolarHBondContact O-N 3.31Å; D288-Y290 VanDerWaalsContact O-N 3.11Å; D288-Y290 VanDerWaalsContact OD1-CA 3.32Å; D288-Y290 WeakPolarHBondContact OD1-CA 3.3Å; D288-Y290 WeakPolarHBondContact OD1-CB 3.42Å; D288-Y290 PolarHBondContact OD1-N 2.91Å; Y290-N292 PolarHBondContact O-N 2.72Å; Y290-R324 PolarHBondContact O-NH2 2.99Å; Y290-D331 PolarHBondContact OH-OD1 3.2Å; Y290-D331 VanDerWaalsContact OH-OD1 3.08Å; Y290-H333 HydrophobicContact CD1-CB 3.89Å; Y290-H333 HydrophobicContact CE1-CB 4.14Å
291Q98.9Very high98.7Very high8 Ų853.2 Ų53.24%0.03726%0.264CS..SBendtrans70.214.8-178.2-47.9-59.4150.600114.2D288 Y299 A300 V301 Y336D288-Q291 PolarHBondContact O-N 3.46Å; D288-Q291 PolarHBondContact OD1-N 3.2Å; D288-Q291 VanDerWaalsContact OD1-N 3.11Å; Q291-Y299 VanDerWaalsContact O-CA 3.25Å; Q291-Y299 WeakPolarHBondContact O-CA 3.46Å; Q291-Y299 WeakPolarHBondContact O-CB 3.3Å; Q291-A300 WeakPolarHBondContact CB-O 3.35Å; Q291-A300 PolarHBondContact NE2-O 3.2Å; Q291-A300 PolarHBondContact O-N 2.92Å; Q291-A300 VanDerWaalsContact O-N 3.14Å; Q291-V301 HydrophobicContact CB-CG1 3.92Å; Q291-V301 HydrophobicContact CG-CG1 3.8Å; Q291-Y336 PolarHBondContact OE1-OH 3.27Å
292N98.9Very high98.7Very high40 Ų4045.2 Ų45.221%0.21423%0.23CC..BIsolated β-bridgetrans-74136.7174.8-53.6-50.6000109.9V287 D288 Y290 Y299 R324V287-N292 CarbonylContact C-O 3.45Å; V287-N292 WeakPolarHBondContact CA-O 3.38Å; D288-N292 PolarHBondContact N-O 2.96Å; D288-N292 WeakPolarHBondContact OD1-CB 3.4Å; D288-N292 PolarHBondContact OD1-N 2.74Å; D288-N292 PolarHBondContact OD1-ND2 3.34Å; D288-N292 WeakPolarHBondContact OD2-CB 3.26Å; D288-N292 PolarHBondContact OD2-ND2 3.13Å; Y290-N292 PolarHBondContact O-N 2.72Å; N292-Y299 WeakPolarHBondContact OD1-CD1 3.42Å; N292-Y299 WeakPolarHBondContact OD1-CE1 3.22Å; N292-R324 PolarHBondContact OD1-NH2 3.19Å
293T98.9Very high98.8Very high14 Ų1439.7 Ų39.79%0.08621%0.207CC..  trans-77.8-175.2164.271.40000110.3V277 I285 V287 I295 I298 A300V277-T293 HydrophobicContact CG1-CG2 3.93Å; I285-T293 HydrophobicContact CG2-CG2 3.68Å; V287-T293 HydrophobicContact CG1-CG2 4.43Å; T293-I295 PolarHBondContact O-N 2.99Å; T293-I295 PolarHBondContact OG1-N 3.34Å; T293-I295 VanDerWaalsContact OG1-N 3.12Å; T293-I295 PolarHBondContact OG1-O 2.88Å; T293-I298 WeakPolarHBondContact CB-O 3.4Å; T293-I298 HydrophobicContact CG2-CG2 4.06Å; T293-I298 WeakPolarHBondContact CG2-O 3.45Å; T293-I298 PolarHBondContact N-O 3.2Å; T293-I298 PolarHBondContact OG1-O 3.39Å; T293-A300 HydrophobicContact CG2-CB 4.41Å
294N98.7Very high98.8Very high70 Ų7038.5 Ų38.537%0.37420%0.195SC..SBendtrans-73.3-0.3170.468-72.9000114.3G276 V277 K278G276-N294 PolarHBondContact O-ND2 2.98Å; V277-N294 WeakPolarHBondContact CA-OD1 3.48Å; K278-N294 WeakPolarHBondContact CB-OD1 3.33Å; K278-N294 HydrophobicContact CD-CB 4.25Å; K278-N294 PolarHBondContact N-OD1 3.34Å
295I98.8Very high98.8Very high43 Ų4337.7 Ų37.722%0.22119%0.194CC..SBendtrans-116.4124.8-178.9-55.8-63.9000109.3A120 A275 G276 V277 T293 G297 I298A120-I295 HydrophobicContact CB-CG2 4.07Å; A275-I295 WeakPolarHBondContact O-CG1 3.43Å; G276-I295 WeakPolarHBondContact O-CD1 3.11Å; V277-I295 HydrophobicContact CG2-CB 4.33Å; V277-I295 HydrophobicContact CG2-CG1 3.95Å; T293-I295 PolarHBondContact O-N 2.99Å; T293-I295 PolarHBondContact OG1-N 3.34Å; T293-I295 VanDerWaalsContact OG1-N 3.12Å; T293-I295 PolarHBondContact OG1-O 2.88Å; I295-G297 PolarHBondContact O-N 3.42Å; I295-I298 HydrophobicContact CB-CB 4.37Å; I295-I298 HydrophobicContact CB-CD1 4.03Å; I295-I298 HydrophobicContact CB-CG1 4.31Å; I295-I298 HydrophobicContact CG2-CD1 3.67Å; I295-I298 HydrophobicContact CG2-CG1 4.01Å; I295-I298 PolarHBondContact O-N 2.82Å
296E98.4Very high98.7Very high177 Ų17739.5 Ų39.583%0.82721%0.212SC*.THydrogen-bonded Turntrans-56126.5-178.3-172.675-15000111.5K121 I298K121-E296 WeakPolarHBondContact CE-O 3.48Å; K121-E296 PolarHBondContact NZ-O 3.48Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3Å
297G98.6Very high98.6Very high5 Ų537.4 Ų37.45%0.05220%0.202CC..THydrogen-bonded Turntrans73.114-178.900000115.3K121 H134 I135 I295 Y299K121-G297 VanDerWaalsContact NZ-CA 3.31Å; K121-G297 PolarHBondContact NZ-O 3.14Å; H134-G297 WeakPolarHBondContact CA-O 3.37Å; I135-G297 PolarHBondContact N-O 3.15Å; I295-G297 PolarHBondContact O-N 3.42Å; G297-Y299 WeakPolarHBondContact CA-OH 3.25Å
298I98.9Very high98.5Very high0 Ų038.2 Ų38.20%021%0.208CC..EExtended strand (participates in β ladder)trans-113.8131.3164.2-53.3-178.6000109.7F117 A120 I135 I137 A275 V277 T293 I295 E296F117-I298 HydrophobicContact CE1-CD1 4.23Å; A120-I298 HydrophobicContact CB-CD1 4.33Å; A120-I298 WeakPolarHBondContact O-CD1 3.37Å; I135-I298 CarbonylContact O-C 3.37Å; I135-I298 WeakPolarHBondContact O-CA 3.49Å; I137-I298 HydrophobicContact CD1-CG2 3.75Å; I137-I298 HydrophobicContact CG1-CG2 4.1Å; A275-I298 HydrophobicContact CB-CD1 3.87Å; V277-I298 HydrophobicContact CG2-CB 4.37Å; V277-I298 HydrophobicContact CG2-CD1 3.85Å; V277-I298 HydrophobicContact CG2-CG2 3.91Å; T293-I298 WeakPolarHBondContact CB-O 3.4Å; T293-I298 HydrophobicContact CG2-CG2 4.06Å; T293-I298 WeakPolarHBondContact CG2-O 3.45Å; T293-I298 PolarHBondContact N-O 3.2Å; T293-I298 PolarHBondContact OG1-O 3.39Å; I295-I298 HydrophobicContact CB-CB 4.37Å; I295-I298 HydrophobicContact CB-CD1 4.03Å; I295-I298 HydrophobicContact CB-CG1 4.31Å; I295-I298 HydrophobicContact CG2-CD1 3.67Å; I295-I298 HydrophobicContact CG2-CG1 4.01Å; I295-I298 PolarHBondContact O-N 2.82Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3Å
299Y98.9Very high98.4Very high8 Ų837.2 Ų37.23%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-126.4159.7-175.9-44.1-77.6000110.7Y7 H134 I135 I137 Q291 N292 G297 L321 L325Y7-Y299 HydrophobicContact CE2-CD2 4.48Å; H134-Y299 HydrophobicContact CB-CE2 3.89Å; H134-Y299 PolarHBondContact CE1-OH 2.82Å; H134-Y299 AromaticContact ND1-CE2 3.53Å; H134-Y299 AromaticContact ND1-CZ 3.59Å; H134-Y299 PolarHBondContact ND1-OH 2.69Å; I135-Y299 WeakPolarHBondContact O-CD2 3.48Å; I135-Y299 PolarHBondContact O-N 2.7Å; I137-Y299 PolarHBondContact N-O 3.36Å; Q291-Y299 VanDerWaalsContact O-CA 3.25Å; Q291-Y299 WeakPolarHBondContact O-CA 3.46Å; Q291-Y299 WeakPolarHBondContact O-CB 3.3Å; N292-Y299 WeakPolarHBondContact OD1-CD1 3.42Å; N292-Y299 WeakPolarHBondContact OD1-CE1 3.22Å; G297-Y299 WeakPolarHBondContact CA-OH 3.25Å; Y299-L321 HydrophobicContact CD1-CD1 3.92Å; Y299-L321 HydrophobicContact CD2-CD2 4.46Å; Y299-L321 HydrophobicContact CE1-CD1 4.4Å; Y299-L321 HydrophobicContact CG-CD1 4.07Å; Y299-L321 HydrophobicContact CG-CD2 4.03Å; Y299-L325 HydrophobicContact CD2-CD1 4.03Å; Y299-L325 HydrophobicContact CE1-CD1 4.28Å; Y299-L325 HydrophobicContact CE1-CD2 4.02Å; Y299-L325 HydrophobicContact CE2-CD1 3.51Å; Y299-L325 HydrophobicContact CE2-CD2 4.41Å; Y299-L325 WeakPolarHBondContact OH-CD2 3.46Å
300A98.9Very high98.4Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-141140.7169.500000112.2I137 I285 V287 Q291 T293 T305I137-A300 HydrophobicContact CB-CB 4.37Å; I137-A300 VanDerWaalsContact O-CA 3.28Å; I137-A300 WeakPolarHBondContact O-CA 3.45Å; I285-A300 HydrophobicContact CB-CB 4.04Å; I285-A300 HydrophobicContact CD1-CB 4.01Å; I285-A300 HydrophobicContact CG2-CB 3.67Å; V287-A300 HydrophobicContact CG1-CB 3.84Å; Q291-A300 WeakPolarHBondContact CB-O 3.35Å; Q291-A300 PolarHBondContact NE2-O 3.2Å; Q291-A300 PolarHBondContact O-N 2.92Å; Q291-A300 VanDerWaalsContact O-N 3.14Å; T293-A300 HydrophobicContact CG2-CB 4.41Å; A300-T305 HydrophobicContact CB-CG2 3.74Å; A300-T305 WeakPolarHBondContact O-CG2 3.19Å
301V98.9Very high98.3Very high1 Ų133 Ų331%0.00619%0.189CC..  trans-142.1149.3179-54.20000111.8L136 I137 A138 Q291 N304 A317 L321L136-V301 HydrophobicContact CD1-CB 4.31Å; L136-V301 HydrophobicContact CD1-CG1 3.89Å; L136-V301 HydrophobicContact CD1-CG2 3.88Å; L136-V301 HydrophobicContact CD2-CG2 4.05Å; L136-V301 HydrophobicContact CG-CG2 4.45Å; I137-V301 PolarHBondContact O-N 3.04Å; A138-V301 HydrophobicContact CB-CG2 4.19Å; Q291-V301 HydrophobicContact CB-CG1 3.92Å; Q291-V301 HydrophobicContact CG-CG1 3.8Å; V301-N304 PolarHBondContact O-OD1 3.06Å; V301-N304 VanDerWaalsContact O-OD1 3.09Å; V301-A317 HydrophobicContact CB-CB 4.35Å; V301-A317 HydrophobicContact CG1-CB 4.31Å; V301-L321 HydrophobicContact CG1-CD2 4.08Å
302G98.7Very high98.3Very high9 Ų937.1 Ų37.19%0.09322%0.217CC..SBendtrans87.2-159.3178.300000112.8N304 T305G302-N304 PolarHBondContact O-N 3.3Å; G302-T305 WeakPolarHBondContact O-CB 3.45Å; G302-T305 PolarHBondContact O-N 3.47Å; G302-T305 PolarHBondContact O-OG1 2.81Å
303D98.6Very high98.3Very high31 Ų3135.6 Ų35.617%0.16621%0.209CC..G310 helixtrans-58.1-28.5-166.7-52.2-0.6000113.5Y284 T305 G306 E309Y284-D303 VanDerWaalsContact CD1-O 3.31Å; Y284-D303 WeakPolarHBondContact CD1-O 3.37Å; Y284-D303 WeakPolarHBondContact CE1-O 3.04Å; D303-T305 PolarHBondContact O-N 3.27Å; D303-T305 VanDerWaalsContact O-N 3.1Å; D303-G306 PolarHBondContact O-N 2.78Å; D303-G306 VanDerWaalsContact O-N 3.12Å; D303-E309 HydrophobicContact CB-CG 4.21Å
304N98.8Very high98.3Very high0 Ų035.2 Ų35.20%021%0.207CC..G310 helixtrans-67.6-9.7178.971.7-20.9000114.5I137 T139 G140 N267 Y284 I285 V301 G302I137-N304 PolarHBondContact O-ND2 3.18Å; T139-N304 PolarHBondContact OG1-ND2 2.91Å; G140-N304 WeakPolarHBondContact O-CB 3.4Å; N267-N304 PolarHBondContact ND2-O 3.37Å; N267-N304 VanDerWaalsContact ND2-O 3.09Å; N267-N304 WeakPolarHBondContact OD1-CB 3.43Å; Y284-N304 CarbonylContact C-O 3.11Å; Y284-N304 WeakPolarHBondContact CA-O 3.43Å; I285-N304 PolarHBondContact N-O 2.91Å; V301-N304 PolarHBondContact O-OD1 3.06Å; V301-N304 VanDerWaalsContact O-OD1 3.09Å; G302-N304 PolarHBondContact O-N 3.3Å
305T98.8Very high98.3Very high15 Ų1533.3 Ų33.39%0.09220%0.198CC..G310 helixtrans-94.5-12.2175.866.40000113.4V287 A300 G302 D303 A307V287-T305 HydrophobicContact CG1-CG2 4.16Å; V287-T305 HydrophobicContact CG2-CG2 4.18Å; A300-T305 HydrophobicContact CB-CG2 3.74Å; A300-T305 WeakPolarHBondContact O-CG2 3.19Å; G302-T305 WeakPolarHBondContact O-CB 3.45Å; G302-T305 PolarHBondContact O-N 3.47Å; G302-T305 PolarHBondContact O-OG1 2.81Å; D303-T305 PolarHBondContact O-N 3.27Å; D303-T305 VanDerWaalsContact O-N 3.1Å; T305-A307 PolarHBondContact O-N 2.91Å; T305-A307 PolarHBondContact OG1-N 2.73Å
306G97.8Very high98.3Very high38 Ų3832.6 Ų32.639%0.39220%0.198SC..THydrogen-bonded Turntrans73.39.8-176.600000114.3D303D303-G306 PolarHBondContact O-N 2.78Å; D303-G306 VanDerWaalsContact O-N 3.12Å
307A96.7Very high98.3Very high31 Ų3124.2 Ų24.226%0.25616%0.159SC..SBendtrans-68.9-175.9165.800000111T305 E309 Y336T305-A307 PolarHBondContact O-N 2.91Å; T305-A307 PolarHBondContact OG1-N 2.73Å; A307-E309 PolarHBondContact O-N 3.12Å; A307-Y336 HydrophobicContact CB-CD1 4.27Å; A307-Y336 HydrophobicContact CB-CE1 3.63Å
308V95.6Very high98.3Very high62 Ų6224 Ų2438%0.37616%0.157SC..  trans-56.9113.1179.5-179.60000110.8L310 V313 I339V308-L310 HydrophobicContact CG1-CB 4.31Å; V308-L310 HydrophobicContact CG1-CD1 3.66Å; V308-L310 HydrophobicContact CG1-CG 3.81Å; V308-L310 PolarHBondContact O-N 3.34Å; V308-V313 HydrophobicContact CB-CG2 4.34Å; V308-V313 HydrophobicContact CG1-CG2 4.24Å; V308-I339 HydrophobicContact CB-CD1 4.3Å; V308-I339 HydrophobicContact CG1-CG2 4.5Å; V308-I339 HydrophobicContact CG2-CD1 4.18Å
309E97Very high98.3Very high51 Ų5129.5 Ų29.524%0.23818%0.178CC..  trans-74.765.9-174.2-61-175.9-178.800112.3Y284 D303 A307Y284-E309 PolarHBondContact OH-OE1 3.2Å; D303-E309 HydrophobicContact CB-CG 4.21Å; A307-E309 PolarHBondContact O-N 3.12Å
310L97.9Very high98.3Very high45 Ų4533.8 Ų33.824%0.23619%0.194CC..  trans-131.3138-179.5-68.4177.5000111.6V308 V313 A314 I339V308-L310 HydrophobicContact CG1-CB 4.31Å; V308-L310 HydrophobicContact CG1-CD1 3.66Å; V308-L310 HydrophobicContact CG1-CG 3.81Å; V308-L310 PolarHBondContact O-N 3.34Å; L310-V313 HydrophobicContact CB-CB 4.32Å; L310-V313 HydrophobicContact CB-CG2 3.84Å; L310-V313 VanDerWaalsContact O-CB 3.31Å; L310-V313 WeakPolarHBondContact O-CB 3.32Å; L310-V313 PolarHBondContact O-N 3.42Å; L310-A314 PolarHBondContact O-N 3.26Å; L310-A314 VanDerWaalsContact O-N 3.11Å; L310-I339 HydrophobicContact CD1-CG2 3.9Å
311T98.3Very high98.3Very high44 Ų4434 Ų3427%0.2720%0.195SC..Hα-helixtrans-54.4-47.6178.7-75.90000114.2S14 C42 C47 V313 A314 V315S14-T311 WeakPolarHBondContact OG-CG2 3.21Å; S14-T311 PolarHBondContact OG-OG1 3.42Å; C42-T311 HydrophobicContact CB-CG2 4.48Å; C42-T311 WeakPolarHBondContact CB-OG1 3.36Å; C42-T311 PolarHBondContact SG-OG1 2.86Å; C47-T311 PolarHBondContact SG-OG1 3.46Å; T311-V313 PolarHBondContact O-N 2.93Å; T311-A314 PolarHBondContact O-N 2.98Å; T311-V315 HydrophobicContact CG2-CG2 4.2Å; T311-V315 WeakPolarHBondContact O-CB 3.38Å; T311-V315 VanDerWaalsContact O-CG2 3.28Å; T311-V315 WeakPolarHBondContact O-CG2 3.43Å; T311-V315 PolarHBondContact O-N 2.62Å
312P98.2Very high98.3Very high96 Ų9633.9 Ų33.962%0.62319%0.194SC*.Hα-helixtrans-60.4-31.5177.4-26.136.1000113.6A316P312-A316 WeakPolarHBondContact O-CB 3.4Å; P312-A316 PolarHBondContact O-N 3.29Å
313V98.6Very high98.3Very high7 Ų734.4 Ų34.44%0.04219%0.194CC..Hα-helixtrans-67.3-50.7177177.50000109.8V308 L310 T311 V315 A316 A317 L334 Y336 I339V308-V313 HydrophobicContact CB-CG2 4.34Å; V308-V313 HydrophobicContact CG1-CG2 4.24Å; L310-V313 HydrophobicContact CB-CB 4.32Å; L310-V313 HydrophobicContact CB-CG2 3.84Å; L310-V313 VanDerWaalsContact O-CB 3.31Å; L310-V313 WeakPolarHBondContact O-CB 3.32Å; L310-V313 PolarHBondContact O-N 3.42Å; T311-V313 PolarHBondContact O-N 2.93Å; V313-V315 VanDerWaalsContact C-N 3.34Å; V313-V315 PolarHBondContact O-N 3.06Å; V313-A316 PolarHBondContact O-N 2.93Å; V313-A317 WeakPolarHBondContact O-CB 3.41Å; V313-A317 PolarHBondContact O-N 2.86Å; V313-L334 HydrophobicContact CG1-CD2 3.78Å; V313-Y336 HydrophobicContact CG1-CD1 3.94Å; V313-Y336 HydrophobicContact CG1-CE1 3.37Å; V313-I339 HydrophobicContact CG1-CD1 4.4Å; V313-I339 HydrophobicContact CG2-CD1 3.64Å; V313-I339 HydrophobicContact CG2-CG1 4.29Å; V313-I339 HydrophobicContact CG2-CG2 3.79Å
314A98.8Very high98.3Very high6 Ų634.6 Ų34.65%0.0519%0.193CC..Hα-helixtrans-59.7-42.817600000112.3L310 T311 G318L310-A314 PolarHBondContact O-N 3.26Å; L310-A314 VanDerWaalsContact O-N 3.11Å; T311-A314 PolarHBondContact O-N 2.98Å; A314-G318 PolarHBondContact O-N 2.95Å
315V98.8Very high98.3Very high31 Ų3136.4 Ų36.419%0.18820%0.202CC..Hα-helixtrans-63.1-45.6177.4169.60000111.4A18 T311 V313 R319A18-V315 HydrophobicContact CB-CB 4.12Å; A18-V315 HydrophobicContact CB-CG1 3.91Å; A18-V315 HydrophobicContact CB-CG2 4.15Å; T311-V315 HydrophobicContact CG2-CG2 4.2Å; T311-V315 WeakPolarHBondContact O-CB 3.38Å; T311-V315 VanDerWaalsContact O-CG2 3.28Å; T311-V315 WeakPolarHBondContact O-CG2 3.43Å; T311-V315 PolarHBondContact O-N 2.62Å; V313-V315 VanDerWaalsContact C-N 3.34Å; V313-V315 PolarHBondContact O-N 3.06Å; V315-R319 WeakPolarHBondContact O-CB 3.48Å; V315-R319 WeakPolarHBondContact O-CD 3.24Å; V315-R319 VanDerWaalsContact O-CG 3.28Å; V315-R319 WeakPolarHBondContact O-CG 3.05Å; V315-R319 PolarHBondContact O-N 3.12Å
316A98.7Very high98.3Very high27 Ų2736.8 Ų36.822%0.22320%0.203CC..Hα-helixtrans-69-45.2-178.800000111.8P312 V313 R319 R320 L334P312-A316 WeakPolarHBondContact O-CB 3.4Å; P312-A316 PolarHBondContact O-N 3.29Å; V313-A316 PolarHBondContact O-N 2.93Å; A316-R319 PolarHBondContact O-N 3.08Å; A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 VanDerWaalsContact O-CG 3.29Å; A316-R320 WeakPolarHBondContact O-CG 3.27Å; A316-R320 PolarHBondContact O-N 2.95Å; A316-L334 HydrophobicContact CB-CD1 3.84Å; A316-L334 HydrophobicContact CB-CD2 4.24Å
317A98.8Very high98.4Very high1 Ų137.6 Ų37.61%0.00820%0.198CC..Hα-helixtrans-61.1-47.3176.300000111.3V301 V313 R319 R320 L321 L334V301-A317 HydrophobicContact CB-CB 4.35Å; V301-A317 HydrophobicContact CG1-CB 4.31Å; V313-A317 WeakPolarHBondContact O-CB 3.41Å; V313-A317 PolarHBondContact O-N 2.86Å; A317-R319 PolarHBondContact O-N 3.18Å; A317-R320 PolarHBondContact O-N 3.38Å; A317-L321 WeakPolarHBondContact O-CB 3.38Å; A317-L321 PolarHBondContact O-N 3.17Å; A317-L334 HydrophobicContact CB-CB 4.36Å; A317-L334 HydrophobicContact CB-CD2 3.99Å
318G98.9Very high98.5Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-61.5-42.8177.700000113.3S19 A314 S322S19-G318 WeakPolarHBondContact CA-O 3.38Å; S19-G318 VanDerWaalsContact CB-O 3.28Å; S19-G318 WeakPolarHBondContact CB-O 3.28Å; S19-G318 PolarHBondContact OG-O 3.12Å; S19-G318 VanDerWaalsContact OG-O 3.04Å; A314-G318 PolarHBondContact O-N 2.95Å; G318-S322 PolarHBondContact O-N 2.93Å; G318-S322 PolarHBondContact O-OG 2.69Å
319R98.9Very high98.6Very high117 Ų11744.2 Ų44.244%0.44222%0.223SC..Hα-helixtrans-63.6-47175.5-79.3168.3173.8179.70.7112.2A18 R22 V315 A316 A317 L321 S322 E323A18-R319 HydrophobicContact CB-CG 4.18Å; R22-R319 HydrophobicContact CB-CG 4.45Å; V315-R319 WeakPolarHBondContact O-CB 3.48Å; V315-R319 WeakPolarHBondContact O-CD 3.24Å; V315-R319 VanDerWaalsContact O-CG 3.28Å; V315-R319 WeakPolarHBondContact O-CG 3.05Å; V315-R319 PolarHBondContact O-N 3.12Å; A316-R319 PolarHBondContact O-N 3.08Å; A317-R319 PolarHBondContact O-N 3.18Å; R319-L321 VanDerWaalsContact C-N 3.34Å; R319-S322 PolarHBondContact O-N 3.17Å; R319-E323 VanDerWaalsContact O-CG 3.31Å; R319-E323 WeakPolarHBondContact O-CG 3.4Å; R319-E323 PolarHBondContact O-N 3.01Å
320R98.9Very high98.7Very high98 Ų9846.4 Ų46.437%0.3724%0.242SC..Hα-helixtrans-68.2-33.5-178.5-72.7-175.4-168.4-95.65.3112.5A316 A317 E323 R324 E332 H333A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 VanDerWaalsContact O-CG 3.29Å; A316-R320 WeakPolarHBondContact O-CG 3.27Å; A316-R320 PolarHBondContact O-N 2.95Å; A317-R320 PolarHBondContact O-N 3.38Å; R320-E323 WeakPolarHBondContact O-CB 3.02Å; R320-E323 PolarHBondContact O-N 3.28Å; R320-R324 PolarHBondContact O-N 3.36Å; R320-E332 HydrophobicContact CB-CG 3.9Å; R320-E332 HydrophobicContact CG-CG 4.05Å; R320-E332 IonicContact CZ-OE1 2.64Å; R320-E332 IonicContact NH1-OE1 2.92Å; R320-E332 PolarHBondContact NH1-OE1 2.93Å; R320-H333 VanDerWaalsContact CD-C 3.43Å; R320-H333 WeakPolarHBondContact CD-O 3.45Å
321L98.9Very high98.7Very high3 Ų349.7 Ų49.72%0.01626%0.259CS..Hα-helixtrans-57.2-49169.8176.260.7000111.1L136 Y299 V301 A317 R319 E323 R324 L325L136-L321 HydrophobicContact CD1-CD2 3.87Å; Y299-L321 HydrophobicContact CD1-CD1 3.92Å; Y299-L321 HydrophobicContact CD2-CD2 4.46Å; Y299-L321 HydrophobicContact CE1-CD1 4.4Å; Y299-L321 HydrophobicContact CG-CD1 4.07Å; Y299-L321 HydrophobicContact CG-CD2 4.03Å; V301-L321 HydrophobicContact CG1-CD2 4.08Å; A317-L321 WeakPolarHBondContact O-CB 3.38Å; A317-L321 PolarHBondContact O-N 3.17Å; R319-L321 VanDerWaalsContact C-N 3.34Å; L321-E323 PolarHBondContact O-N 3.39Å; L321-R324 WeakPolarHBondContact O-CB 3.32Å; L321-R324 PolarHBondContact O-N 2.85Å; L321-R324 VanDerWaalsContact O-N 3.15Å; L321-L325 HydrophobicContact CD1-CD1 3.83Å; L321-L325 HydrophobicContact CD1-CD2 4.5Å; L321-L325 HydrophobicContact CD1-CG 3.99Å; L321-L325 HydrophobicContact CG-CD1 4.03Å; L321-L325 HydrophobicContact CG-CG 4.46Å; L321-L325 WeakPolarHBondContact O-CG 3.35Å; L321-L325 PolarHBondContact O-N 3.23Å
322S98.9Very high98.7Very high0 Ų049.6 Ų49.60%026%0.256CS..Hα-helixtrans-67.5-34.3179.8-56.10000113.3S19 G318 R319 R324 F326S19-S322 WeakPolarHBondContact CA-OG 3.44Å; S19-S322 PolarHBondContact O-OG 3.49Å; S19-S322 PolarHBondContact OG-OG 3.43Å; G318-S322 PolarHBondContact O-N 2.93Å; G318-S322 PolarHBondContact O-OG 2.69Å; R319-S322 PolarHBondContact O-N 3.17Å; S322-R324 VanDerWaalsContact C-N 3.31Å; S322-F326 WeakPolarHBondContact O-CB 3.44Å; S322-F326 WeakPolarHBondContact O-CD2 3.44Å; S322-F326 PolarHBondContact O-N 2.96Å
323E98.9Very high98.7Very high20 Ų2047.5 Ų47.59%0.09324%0.238CC..Hα-helixtrans-60.7-42.1170.5-68.5-84.8179.100111.6R22 Y26 R319 R320 L321 N327 K329 E332R22-E323 HydrophobicContact CG-CG 4.44Å; R22-E323 IonicContact CZ-OE1 3.58Å; R22-E323 IonicContact NE-OE1 3.53Å; R22-E323 IonicContact NH1-OE1 3.54Å; R22-E323 PolarHBondContact NH1-OE1 2.93Å; Y26-E323 PolarHBondContact OH-OE1 3.36Å; Y26-E323 PolarHBondContact OH-OE2 3.17Å; Y26-E323 VanDerWaalsContact OH-OE2 3.08Å; R319-E323 VanDerWaalsContact O-CG 3.31Å; R319-E323 WeakPolarHBondContact O-CG 3.4Å; R319-E323 PolarHBondContact O-N 3.01Å; R320-E323 WeakPolarHBondContact O-CB 3.02Å; R320-E323 PolarHBondContact O-N 3.28Å; L321-E323 PolarHBondContact O-N 3.39Å; E323-N327 CarbonylContact O-C 3.39Å; E323-N327 WeakPolarHBondContact O-CA 3.26Å; E323-N327 VanDerWaalsContact O-CB 3.31Å; E323-N327 WeakPolarHBondContact O-CB 3.44Å; E323-N327 PolarHBondContact O-N 3.37Å; E323-N327 PolarHBondContact OE2-ND2 2.95Å; E323-K329 HydrophobicContact CB-CD 4.29Å; E323-K329 VanDerWaalsContact OE2-CE 3.29Å; E323-K329 WeakPolarHBondContact OE2-CE 3.45Å; E323-K329 IonicContact OE2-NZ 2.74Å; E323-K329 PolarHBondContact OE2-NZ 3.12Å; E323-E332 HydrophobicContact CB-CB 4.46Å; E323-E332 HydrophobicContact CB-CG 3.86Å
324R98.9Very high98.8Very high35 Ų3548.2 Ų48.213%0.13224%0.241CC..Hα-helixtrans-64.2-51.8177.4-180175.765.285.6-11.3112.1Y290 N292 R320 L321 S322 K329 P330 E332Y290-R324 PolarHBondContact O-NH2 2.99Å; N292-R324 PolarHBondContact OD1-NH2 3.19Å; R320-R324 PolarHBondContact O-N 3.36Å; L321-R324 WeakPolarHBondContact O-CB 3.32Å; L321-R324 PolarHBondContact O-N 2.85Å; L321-R324 VanDerWaalsContact O-N 3.15Å; S322-R324 VanDerWaalsContact C-N 3.31Å; R324-K329 VanDerWaalsContact CA-O 3.29Å; R324-K329 WeakPolarHBondContact CA-O 3.29Å; R324-K329 WeakPolarHBondContact CG-O 3.46Å; R324-P330 WeakPolarHBondContact CD-O 3.45Å; R324-E332 HydrophobicContact CB-CB 4.22Å
325L98.8Very high98.7Very high38 Ų3851.5 Ų51.520%0.19926%0.258CS..Hα-helixtrans-71.4-39.9-174.4-62.5-179.5000112.7Y299 L321Y299-L325 HydrophobicContact CD2-CD1 4.03Å; Y299-L325 HydrophobicContact CE1-CD1 4.28Å; Y299-L325 HydrophobicContact CE1-CD2 4.02Å; Y299-L325 HydrophobicContact CE2-CD1 3.51Å; Y299-L325 HydrophobicContact CE2-CD2 4.41Å; Y299-L325 WeakPolarHBondContact OH-CD2 3.46Å; L321-L325 HydrophobicContact CD1-CD1 3.83Å; L321-L325 HydrophobicContact CD1-CD2 4.5Å; L321-L325 HydrophobicContact CD1-CG 3.99Å; L321-L325 HydrophobicContact CG-CD1 4.03Å; L321-L325 HydrophobicContact CG-CG 4.46Å; L321-L325 WeakPolarHBondContact O-CG 3.35Å; L321-L325 PolarHBondContact O-N 3.23Å
326F98.9Very high98.7Very high23 Ų2353.4 Ų53.410%0.10126%0.262CS..Hα-helixtrans-121.9-0.8-163.9-47.8-58.5000114.3Y7 A23 Y26 Q28 H134 S322Y7-F326 AromaticContact CD1-CE2 3.7Å; Y7-F326 HydrophobicContact CD1-CE2 3.7Å; Y7-F326 HydrophobicContact CD1-CZ 4.08Å; Y7-F326 HydrophobicContact CD2-CE2 4.39Å; Y7-F326 HydrophobicContact CD2-CZ 4.08Å; Y7-F326 HydrophobicContact CE1-CE2 4.01Å; Y7-F326 AromaticContact CG-CE2 3.9Å; Y7-F326 HydrophobicContact CG-CE2 3.9Å; Y7-F326 AromaticContact CG-CZ 3.77Å; Y7-F326 HydrophobicContact CG-CZ 3.77Å; A23-F326 HydrophobicContact CB-CD2 3.48Å; A23-F326 VanDerWaalsContact CB-CD2 3.48Å; A23-F326 HydrophobicContact CB-CE2 3.57Å; A23-F326 HydrophobicContact CB-CG 4.48Å; Y26-F326 HydrophobicContact CD2-CB 4.16Å; Y26-F326 HydrophobicContact CG-CB 4.5Å; Q28-F326 VanDerWaalsContact CD-CD1 3.49Å; Q28-F326 HydrophobicContact CG-CB 3.85Å; Q28-F326 HydrophobicContact CG-CD1 3.61Å; Q28-F326 HydrophobicContact CG-CD2 4.03Å; Q28-F326 HydrophobicContact CG-CE1 4.13Å; Q28-F326 HydrophobicContact CG-CG 3.54Å; H134-F326 HydrophobicContact CB-CZ 4.23Å; H134-F326 AromaticContact CD2-CE1 3.73Å; S322-F326 WeakPolarHBondContact O-CB 3.44Å; S322-F326 WeakPolarHBondContact O-CD2 3.44Å; S322-F326 PolarHBondContact O-N 2.96Å
327N98.8Very high98.7Very high55 Ų5554.6 Ų54.629%0.29427%0.269SS..SBendtrans-130.626.7179.5-163.329.5000113.4Y26 E323 K329Y26-N327 HydrophobicContact CD1-CB 4.07Å; Y26-N327 HydrophobicContact CD2-CB 3.9Å; Y26-N327 HydrophobicContact CE1-CB 3.83Å; Y26-N327 WeakPolarHBondContact CE1-ND2 3.47Å; Y26-N327 HydrophobicContact CE2-CB 3.63Å; Y26-N327 HydrophobicContact CG-CB 4.13Å; Y26-N327 VanDerWaalsContact CZ-ND2 3.34Å; Y26-N327 PolarHBondContact OH-ND2 2.92Å; Y26-N327 VanDerWaalsContact OH-ND2 3.17Å; E323-N327 CarbonylContact O-C 3.39Å; E323-N327 WeakPolarHBondContact O-CA 3.26Å; E323-N327 VanDerWaalsContact O-CB 3.31Å; E323-N327 WeakPolarHBondContact O-CB 3.44Å; E323-N327 PolarHBondContact O-N 3.37Å; E323-N327 PolarHBondContact OE2-ND2 2.95Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 WeakPolarHBondContact O-CG 3.35Å; N327-K329 PolarHBondContact O-N 3.42Å
328N98.4Very high98.6Very high153 Ų15357.5 Ų57.582%0.81828%0.284SS*.SBendtrans54.638.2173.2-60.2-64.5000114.8P330N328-P330 VanDerWaalsContact O-CD 3.24Å; N328-P330 WeakPolarHBondContact O-CD 3.36Å
329K98.7Very high98.6Very high78 Ų7859.2 Ų59.234%0.33929%0.293SS..  trans-112.874.8175-59.4-171.9-174.8162.60111.3E323 R324 N327 D331 E332E323-K329 HydrophobicContact CB-CD 4.29Å; E323-K329 VanDerWaalsContact OE2-CE 3.29Å; E323-K329 WeakPolarHBondContact OE2-CE 3.45Å; E323-K329 IonicContact OE2-NZ 2.74Å; E323-K329 PolarHBondContact OE2-NZ 3.12Å; R324-K329 VanDerWaalsContact CA-O 3.29Å; R324-K329 WeakPolarHBondContact CA-O 3.29Å; R324-K329 WeakPolarHBondContact CG-O 3.46Å; N327-K329 VanDerWaalsContact C-N 3.3Å; N327-K329 WeakPolarHBondContact O-CG 3.35Å; N327-K329 PolarHBondContact O-N 3.42Å; K329-D331 PolarHBondContact O-N 3.12Å; K329-E332 HydrophobicContact CB-CB 3.72Å; K329-E332 HydrophobicContact CD-CB 4.47Å; K329-E332 HydrophobicContact CD-CG 4.47Å; K329-E332 VanDerWaalsContact CD-OE2 3.27Å; K329-E332 WeakPolarHBondContact CD-OE2 3.39Å; K329-E332 IonicContact NZ-OE2 2.75Å; K329-E332 WeakPolarHBondContact O-CB 3.48Å; K329-E332 PolarHBondContact O-N 2.8Å
330P98.1Very high98.6Very high98 Ų9855.7 Ų55.764%0.63629%0.285SS*.THydrogen-bonded Turntrans-57.4-29.4-16923.1-34.6000113.8R324 N328R324-P330 WeakPolarHBondContact CD-O 3.45Å; N328-P330 VanDerWaalsContact O-CD 3.24Å; N328-P330 WeakPolarHBondContact O-CD 3.36Å
331D98.6Very high98.6Very high113 Ų11352.7 Ų52.760%0.60428%0.278SS*.THydrogen-bonded Turntrans-93.83179.7-74.7-54.2000115.2Y290 K329 H333Y290-D331 PolarHBondContact OH-OD1 3.2Å; Y290-D331 VanDerWaalsContact OH-OD1 3.08Å; K329-D331 PolarHBondContact O-N 3.12Å; D331-H333 PolarHBondContact O-N 3.03Å; D331-H333 PolarHBondContact O-ND1 3.42Å
332E98.8Very high98.6Very high42 Ų4254.3 Ų54.320%0.19629%0.288CS..  trans-69.4123-177.6-168.675.1-101.600111.2R320 E323 R324 K329R320-E332 HydrophobicContact CB-CG 3.9Å; R320-E332 HydrophobicContact CG-CG 4.05Å; R320-E332 IonicContact CZ-OE1 2.64Å; R320-E332 IonicContact NH1-OE1 2.92Å; R320-E332 PolarHBondContact NH1-OE1 2.93Å; E323-E332 HydrophobicContact CB-CB 4.46Å; E323-E332 HydrophobicContact CB-CG 3.86Å; R324-E332 HydrophobicContact CB-CB 4.22Å; K329-E332 HydrophobicContact CB-CB 3.72Å; K329-E332 HydrophobicContact CD-CB 4.47Å; K329-E332 HydrophobicContact CD-CG 4.47Å; K329-E332 VanDerWaalsContact CD-OE2 3.27Å; K329-E332 WeakPolarHBondContact CD-OE2 3.39Å; K329-E332 IonicContact NZ-OE2 2.75Å; K329-E332 WeakPolarHBondContact O-CB 3.48Å; K329-E332 PolarHBondContact O-N 2.8Å
333H98.8Very high98.6Very high52 Ų5254.4 Ų54.424%0.24129%0.289CS..  trans-154.9161.3-178.364.6-79.2000110.9K289 Y290 R320 D331K289-H333 WeakPolarHBondContact CE-CD2 3.32Å; K289-H333 WeakPolarHBondContact CE-CE1 3.11Å; K289-H333 VanDerWaalsContact CE-CG 3.47Å; K289-H333 WeakPolarHBondContact CE-NE2 3.45Å; K289-H333 HydrophobicContact CG-CB 4.33Å; K289-H333 PolarHBondContact NZ-CE1 2.74Å; K289-H333 PolarHBondContact NZ-NE2 3.29Å; Y290-H333 HydrophobicContact CD1-CB 3.89Å; Y290-H333 HydrophobicContact CE1-CB 4.14Å; R320-H333 VanDerWaalsContact CD-C 3.43Å; R320-H333 WeakPolarHBondContact CD-O 3.45Å; D331-H333 PolarHBondContact O-N 3.03Å; D331-H333 PolarHBondContact O-ND1 3.42Å
334L98.7Very high98.6Very high22 Ų2255 Ų5512%0.11529%0.291CS..  trans-82.7130.6173.1-178.760.9000110.5V313 A316 A317 Y336V313-L334 HydrophobicContact CG1-CD2 3.78Å; A316-L334 HydrophobicContact CB-CD1 3.84Å; A316-L334 HydrophobicContact CB-CD2 4.24Å; A317-L334 HydrophobicContact CB-CB 4.36Å; A317-L334 HydrophobicContact CB-CD2 3.99Å; L334-Y336 HydrophobicContact CB-CD2 4.32Å; L334-Y336 HydrophobicContact CB-CE2 3.91Å; L334-Y336 HydrophobicContact CD2-CD1 4.32Å; L334-Y336 HydrophobicContact CD2-CD2 4.4Å; L334-Y336 HydrophobicContact CD2-CE1 3.93Å; L334-Y336 HydrophobicContact CD2-CE2 4.02Å; L334-Y336 HydrophobicContact CG-CD2 4.19Å; L334-Y336 HydrophobicContact CG-CE2 4.07Å; L334-Y336 WeakPolarHBondContact O-CD2 3.42Å
335D98.4Very high98.6Very high76 Ų7653.3 Ų53.341%0.40629%0.285SS..  trans-83.3113.1164.3175.69.9000109.7S337 K424D335-S337 VanDerWaalsContact C-N 3.28Å; D335-S337 PolarHBondContact O-N 2.93Å; D335-S337 VanDerWaalsContact OD1-CB 3.25Å; D335-S337 WeakPolarHBondContact OD1-CB 3.29Å; D335-S337 PolarHBondContact OD1-N 2.84Å; D335-S337 PolarHBondContact OD1-OG 3.43Å; D335-S337 PolarHBondContact OD2-OG 3.4Å; D335-K424 VanDerWaalsContact CG-NZ 3.35Å; D335-K424 IonicContact OD1-NZ 2.73Å; D335-K424 WeakPolarHBondContact OD2-CE 3.35Å; D335-K424 IonicContact OD2-NZ 3.67Å; D335-K424 PolarHBondContact OD2-NZ 2.91Å
336Y98.2Very high98.6Very high70 Ų7052.3 Ų52.328%0.27528%0.279SS..  trans-83.41.5-179.3-73.8-96.5000113.7Q291 A307 V313 L334 I339Q291-Y336 PolarHBondContact OE1-OH 3.27Å; A307-Y336 HydrophobicContact CB-CD1 4.27Å; A307-Y336 HydrophobicContact CB-CE1 3.63Å; V313-Y336 HydrophobicContact CG1-CD1 3.94Å; V313-Y336 HydrophobicContact CG1-CE1 3.37Å; L334-Y336 HydrophobicContact CB-CD2 4.32Å; L334-Y336 HydrophobicContact CB-CE2 3.91Å; L334-Y336 HydrophobicContact CD2-CD1 4.32Å; L334-Y336 HydrophobicContact CD2-CD2 4.4Å; L334-Y336 HydrophobicContact CD2-CE1 3.93Å; L334-Y336 HydrophobicContact CD2-CE2 4.02Å; L334-Y336 HydrophobicContact CG-CD2 4.19Å; L334-Y336 HydrophobicContact CG-CE2 4.07Å; L334-Y336 WeakPolarHBondContact O-CD2 3.42Å; Y336-I339 HydrophobicContact CD1-CD1 4.02Å; Y336-I339 HydrophobicContact CG-CD1 4.48Å; Y336-I339 WeakPolarHBondContact O-CD1 3.49Å
337S97.7Very high98.6Very high52 Ų5251.3 Ų51.336%0.36428%0.275SS..THydrogen-bonded Turntrans-76.6144.6174.270.20000111.9D335 I339 K424D335-S337 VanDerWaalsContact C-N 3.28Å; D335-S337 PolarHBondContact O-N 2.93Å; D335-S337 VanDerWaalsContact OD1-CB 3.25Å; D335-S337 WeakPolarHBondContact OD1-CB 3.29Å; D335-S337 PolarHBondContact OD1-N 2.84Å; D335-S337 PolarHBondContact OD1-OG 3.43Å; D335-S337 PolarHBondContact OD2-OG 3.4Å; S337-I339 VanDerWaalsContact C-N 3.31Å; S337-I339 PolarHBondContact O-N 2.95Å; S337-K424 PolarHBondContact O-NZ 3.37Å; S337-K424 PolarHBondContact OG-NZ 3.03Å; S337-K424 VanDerWaalsContact OG-NZ 3.12Å
338N98.1Very high98.6Very high62 Ų6248.8 Ų48.833%0.33226%0.261SS..THydrogen-bonded Turntrans55.140.8170.9-60.6-32000114.4P340 V352 L423N338-P340 WeakPolarHBondContact O-CD 3.47Å; N338-V352 HydrophobicContact CB-CG2 4.25Å; N338-V352 WeakPolarHBondContact O-CG2 3.18Å; N338-L423 HydrophobicContact CB-CD2 3.51Å; N338-L423 VanDerWaalsContact ND2-CD2 3.32Å; N338-L423 WeakPolarHBondContact ND2-CD2 3.36Å
339I98.6Very high98.6Very high37 Ų3741.5 Ų41.519%0.1922%0.222CC..  trans-73.2120.5172.1-68.3162.1000108.8V308 L310 V313 Y336 S337V308-I339 HydrophobicContact CB-CD1 4.3Å; V308-I339 HydrophobicContact CG1-CG2 4.5Å; V308-I339 HydrophobicContact CG2-CD1 4.18Å; L310-I339 HydrophobicContact CD1-CG2 3.9Å; V313-I339 HydrophobicContact CG1-CD1 4.4Å; V313-I339 HydrophobicContact CG2-CD1 3.64Å; V313-I339 HydrophobicContact CG2-CG1 4.29Å; V313-I339 HydrophobicContact CG2-CG2 3.79Å; Y336-I339 HydrophobicContact CD1-CD1 4.02Å; Y336-I339 HydrophobicContact CG-CD1 4.48Å; Y336-I339 WeakPolarHBondContact O-CD1 3.49Å; S337-I339 VanDerWaalsContact C-N 3.31Å; S337-I339 PolarHBondContact O-N 2.95Å
340P98.7Very high98.6Very high42 Ų4237.8 Ų37.827%0.27321%0.206SC..  trans-72.1143.7176.830.5-34.8000111.3N338 T351 V352 L416 A420N338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-T351 WeakPolarHBondContact CA-O 3.49Å; P340-V352 HydrophobicContact CB-CB 4.1Å; P340-V352 HydrophobicContact CB-CG2 4.24Å; P340-L416 HydrophobicContact CB-CD2 3.85Å; P340-L416 HydrophobicContact CB-CG 4.31Å; P340-A420 HydrophobicContact CB-CB 3.78Å; P340-A420 HydrophobicContact CG-CB 3.77Å
341T98.6Very high98.6Very high35 Ų3533.9 Ų33.922%0.21518%0.18CC..EExtended strand (participates in β ladder)trans-130.1135.9177.5-570000110.4T351 L416T341-T351 PolarHBondContact N-O 3.39Å; T341-T351 PolarHBondContact O-N 3.42Å; T341-L416 WeakPolarHBondContact O-CD2 3.48Å
342V98.8Very high98.6Very high38 Ų3828.6 Ų28.623%0.2315%0.152CC..EExtended strand (participates in β ladder)trans-114129.9167.9172.90000108.6F344 I349 D413 L416V342-F344 HydrophobicContact CB-CE2 4.42Å; V342-F344 HydrophobicContact CB-CZ 4.5Å; V342-F344 HydrophobicContact CG1-CD1 4.39Å; V342-F344 HydrophobicContact CG1-CD2 4.23Å; V342-F344 HydrophobicContact CG1-CE1 4.02Å; V342-F344 HydrophobicContact CG1-CE2 3.91Å; V342-F344 HydrophobicContact CG1-CG 4.5Å; V342-F344 HydrophobicContact CG1-CZ 3.8Å; V342-I349 CarbonylContact C-O 3.56Å; V342-I349 VanDerWaalsContact CA-O 3.22Å; V342-I349 WeakPolarHBondContact CA-O 3.43Å; V342-D413 HydrophobicContact CG1-CB 3.62Å; V342-L416 HydrophobicContact CG2-CD2 4.04Å
343V98.8Very high98.6Very high1 Ų127.8 Ų27.81%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-105.1123.4168.4-177.50000107.6E181 L203 F206 S345 I349E181-V343 HydrophobicContact CG-CG1 3.86Å; L203-V343 HydrophobicContact CD1-CG1 4.46Å; F206-V343 HydrophobicContact CE1-CG2 3.81Å; F206-V343 HydrophobicContact CZ-CG2 3.67Å; V343-S345 PolarHBondContact O-N 3.12Å; V343-S345 PolarHBondContact O-OG 3.39Å; V343-I349 HydrophobicContact CB-CB 4.2Å; V343-I349 PolarHBondContact N-O 2.97Å; V343-I349 PolarHBondContact O-N 2.9Å
344F98.8Very high98.6Very high33 Ų3327 Ų2715%0.14515%0.153CC..  trans-82.552.2-179.9-66-85.5000111.1K50 K51 W54 E181 V342 D413K50-F344 HydrophobicContact CD-CB 4.04Å; K50-F344 HydrophobicContact CD-CD2 4.38Å; K50-F344 HydrophobicContact CD-CG 4.42Å; K50-F344 VanDerWaalsContact CE-CD2 3.44Å; K51-F344 HydrophobicContact CD-CD1 3.8Å; K51-F344 HydrophobicContact CD-CE1 3.49Å; K51-F344 VanDerWaalsContact CD-CE1 3.49Å; K51-F344 HydrophobicContact CD-CG 4.48Å; K51-F344 HydrophobicContact CD-CZ 3.89Å; K51-F344 VanDerWaalsContact NZ-CE1 3.32Å; W54-F344 VanDerWaalsContact CD1-O 3.25Å; W54-F344 HydrophobicContact CD2-CB 4.39Å; W54-F344 HydrophobicContact CD2-CD1 4.04Å; W54-F344 HydrophobicContact CE3-CD1 4.15Å; W54-F344 HydrophobicContact CG-CB 4.09Å; W54-F344 HydrophobicContact CG-CD1 4.49Å; W54-F344 HydrophobicContact CZ3-CD1 4.44Å; W54-F344 PolarHBondContact NE1-O 2.99Å; E181-F344 HydrophobicContact CG-CB 4.25Å; E181-F344 PolarHBondContact OE1-N 2.89Å; V342-F344 HydrophobicContact CB-CE2 4.42Å; V342-F344 HydrophobicContact CB-CZ 4.5Å; V342-F344 HydrophobicContact CG1-CD1 4.39Å; V342-F344 HydrophobicContact CG1-CD2 4.23Å; V342-F344 HydrophobicContact CG1-CE1 4.02Å; V342-F344 HydrophobicContact CG1-CE2 3.91Å; V342-F344 HydrophobicContact CG1-CG 4.5Å; V342-F344 HydrophobicContact CG1-CZ 3.8Å; F344-D413 HydrophobicContact CD1-CB 4.36Å; F344-D413 HydrophobicContact CE1-CB 3.72Å; F344-D413 HydrophobicContact CZ-CB 4.4Å
345S98.7Very high98.7Very high0 Ų026.6 Ų26.60%015%0.151CC..  trans-72.3-178.8168.650.80000111.1W54 V343 P347 I349W54-S345 PolarHBondContact NE1-O 3.46Å; V343-S345 PolarHBondContact O-N 3.12Å; V343-S345 PolarHBondContact O-OG 3.39Å; S345-P347 CarbonylContact C-O 3.6Å; S345-P347 WeakPolarHBondContact CB-O 3.43Å; S345-P347 CarbonylContact O-C 3.56Å; S345-P347 PolarHBondContact OG-O 2.95Å; S345-I349 WeakPolarHBondContact OG-CD1 3.12Å; S345-I349 WeakPolarHBondContact OG-CG1 3.35Å
346H98.8Very high98.7Very high16 Ų1624.5 Ų24.57%0.07414%0.139CC..SBendtrans-119.2104.1174.5-66.170.2000107.7W54 Q58 E61 V217W54-H346 AromaticContact CD1-CE1 3.34Å; W54-H346 AromaticContact CD1-NE2 3.72Å; W54-H346 AromaticContact NE1-CE1 3.39Å; W54-H346 PolarHBondContact NE1-CE1 3.26Å; W54-H346 AromaticContact NE1-NE2 3.52Å; Q58-H346 PolarHBondContact NE2-CD2 3.34Å; Q58-H346 PolarHBondContact NE2-NE2 2.96Å; Q58-H346 VanDerWaalsContact NE2-NE2 3.17Å; E61-H346 IonicContact OE1-CD2 3.88Å; E61-H346 PolarHBondContact OE1-CD2 3.45Å; E61-H346 IonicContact OE1-CG 2.95Å; E61-H346 IonicContact OE1-NE2 3.94Å; E61-H346 PolarHBondContact OE1-NE2 2.84Å; E61-H346 IonicContact OE2-CD2 2.88Å; V217-H346 WeakPolarHBondContact CG1-O 3.44Å
347P98.8Very high98.7Very high2 Ų224.3 Ų24.31%0.01315%0.146CC..SBendcis-74.4169.2-6.634-38.4000113.2S345 I408S345-P347 CarbonylContact C-O 3.6Å; S345-P347 WeakPolarHBondContact CB-O 3.43Å; S345-P347 CarbonylContact O-C 3.56Å; S345-P347 PolarHBondContact OG-O 2.95Å; P347-I408 HydrophobicContact CG-CD1 4.37Å; P347-I408 HydrophobicContact CG-CG1 3.76Å
348P98.9Very high98.8Very high2 Ų225.6 Ų25.61%0.01315%0.146CC..  trans-59.7149.2176.3-26.736.5000113.7W54 I408 G409 M412 D413W54-P348 HydrophobicContact CH2-CG 4.1Å; W54-P348 HydrophobicContact CZ2-CG 3.51Å; P348-I408 WeakPolarHBondContact O-CA 3.49Å; P348-G409 PolarHBondContact O-N 3.45Å; P348-M412 HydrophobicContact CB-CB 4.32Å; P348-D413 HydrophobicContact CB-CB 4.09Å; P348-D413 HydrophobicContact CG-CB 4.49Å
349I98.9Very high98.8Very high0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-113.3134.8174.3-67160.3000108.7L203 F206 I210 L214 V342 V343 S345 G407 I408L203-I349 HydrophobicContact CD1-CD1 3.56Å; F206-I349 HydrophobicContact CD1-CG2 4Å; F206-I349 HydrophobicContact CE1-CG2 3.9Å; I210-I349 HydrophobicContact CD1-CG2 3.75Å; I210-I349 HydrophobicContact CG1-CG2 4.31Å; I210-I349 HydrophobicContact CG2-CB 4.41Å; I210-I349 HydrophobicContact CG2-CD1 3.41Å; I210-I349 VanDerWaalsContact CG2-CD1 3.41Å; I210-I349 HydrophobicContact CG2-CG1 3.75Å; I210-I349 HydrophobicContact CG2-CG2 3.75Å; L214-I349 HydrophobicContact CD2-CD1 4.2Å; V342-I349 CarbonylContact C-O 3.56Å; V342-I349 VanDerWaalsContact CA-O 3.22Å; V342-I349 WeakPolarHBondContact CA-O 3.43Å; V343-I349 HydrophobicContact CB-CB 4.2Å; V343-I349 PolarHBondContact N-O 2.97Å; V343-I349 PolarHBondContact O-N 2.9Å; S345-I349 WeakPolarHBondContact OG-CD1 3.12Å; S345-I349 WeakPolarHBondContact OG-CG1 3.35Å; I349-G407 WeakPolarHBondContact CA-O 3.33Å; I349-I408 HydrophobicContact CD1-CD1 4.09Å; I349-I408 HydrophobicContact CG1-CB 3.99Å; I349-I408 HydrophobicContact CG1-CD1 3.74Å; I349-I408 HydrophobicContact CG1-CG1 3.77Å
350G98.8Very high98.8Very high0 Ų024.4 Ų24.40%014%0.135CC..EExtended strand (participates in β ladder)trans-121132.1168.200000110.9G407G350-G407 PolarHBondContact N-O 3.19Å; G350-G407 PolarHBondContact O-N 2.73Å
351T98.9Very high98.8Very high16 Ų1630.7 Ų30.710%0.09816%0.16CC..EExtended strand (participates in β ladder)trans-144.9140.9179.8-174.20000112.5F206 P340 T341 I405 H406F206-T351 HydrophobicContact CD1-CG2 4.05Å; F206-T351 HydrophobicContact CE1-CG2 3.6Å; F206-T351 HydrophobicContact CZ-CG2 4.23Å; P340-T351 WeakPolarHBondContact CA-O 3.49Å; T341-T351 PolarHBondContact N-O 3.39Å; T341-T351 PolarHBondContact O-N 3.42Å; T351-I405 CarbonylContact C-O 3.55Å; T351-I405 WeakPolarHBondContact CA-O 3.19Å; T351-H406 PolarHBondContact OG1-CE1 3.14Å; T351-H406 PolarHBondContact OG1-ND1 2.83Å
352V98.8Very high98.8Very high2 Ų234.6 Ų34.61%0.01218%0.176CC..EExtended strand (participates in β ladder)trans-148140.5169.659.30000109.9N338 P340 G404 I405 L416 L423N338-V352 HydrophobicContact CB-CG2 4.25Å; N338-V352 WeakPolarHBondContact O-CG2 3.18Å; P340-V352 HydrophobicContact CB-CB 4.1Å; P340-V352 HydrophobicContact CB-CG2 4.24Å; V352-G404 WeakPolarHBondContact O-CA 3.49Å; V352-I405 HydrophobicContact CG1-CB 3.76Å; V352-I405 HydrophobicContact CG1-CD1 4.33Å; V352-I405 HydrophobicContact CG1-CG1 4.23Å; V352-I405 PolarHBondContact N-O 3.26Å; V352-I405 PolarHBondContact O-N 2.89Å; V352-L416 HydrophobicContact CG1-CD1 4.09Å; V352-L423 HydrophobicContact CG1-CD1 4.13Å; V352-L423 HydrophobicContact CG2-CD1 4.46Å; V352-L423 HydrophobicContact CG2-CD2 4.45Å
353G98.7Very high98.8Very high25 Ų2537.4 Ų37.426%0.25818%0.183SC..EExtended strand (participates in β ladder)trans83.1-160.9178.300000114.5V403G353-V403 CarbonylContact C-O 3.58Å; G353-V403 VanDerWaalsContact CA-O 3.25Å; G353-V403 WeakPolarHBondContact CA-O 3.46Å
354L98.8Very high98.8Very high37 Ų3739 Ų3919%0.19420%0.2CC..  trans-79.5135.6-174.6-57.2-180000111.6Q358 A359 Y363 V403 G404 H406L354-Q358 HydrophobicContact CB-CB 4.19Å; L354-Q358 HydrophobicContact CD2-CB 4.38Å; L354-A359 HydrophobicContact CB-CB 4.32Å; L354-A359 HydrophobicContact CD1-CB 4.47Å; L354-Y363 HydrophobicContact CD1-CD2 4.46Å; L354-Y363 HydrophobicContact CD1-CE2 3.7Å; L354-V403 HydrophobicContact CD1-CB 4.4Å; L354-V403 HydrophobicContact CD1-CG2 4.41Å; L354-V403 PolarHBondContact N-O 2.9Å; L354-G404 WeakPolarHBondContact O-CA 3.31Å; L354-H406 PolarHBondContact O-CE1 3.24Å; L354-H406 PolarHBondContact O-NE2 3.48Å
355T98.9Very high98.8Very high12 Ų1242.3 Ų42.37%0.07422%0.219CC..  trans-64.8161.8167.263.40000111.5D207 Q358 A359D207-T355 HydrophobicContact CB-CG2 3.96Å; D207-T355 VanDerWaalsContact N-CG2 3.3Å; T355-Q358 PolarHBondContact O-N 2.97Å; T355-Q358 VanDerWaalsContact O-N 3.15Å; T355-Q358 WeakPolarHBondContact OG1-CB 3.22Å; T355-Q358 VanDerWaalsContact OG1-CD 3.24Å; T355-Q358 VanDerWaalsContact OG1-CG 3.24Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.25Å; T355-Q358 PolarHBondContact OG1-N 2.72Å; T355-Q358 PolarHBondContact OG1-OE1 3.42Å; T355-A359 PolarHBondContact O-N 2.79Å
356E98.9Very high98.7Very high33 Ų3350.3 Ų50.315%0.15426%0.262CS..Hα-helixtrans-53.4-47.6175.4170.3173.4-170.400112.6D207 Q358 A359 R360 V370 K372 K392 V394D207-E356 WeakPolarHBondContact OD2-CB 3.46Å; D207-E356 PolarHBondContact OD2-N 3.5Å; E356-Q358 PolarHBondContact O-N 3.06Å; E356-A359 PolarHBondContact O-N 3.44Å; E356-R360 WeakPolarHBondContact O-CG 3.35Å; E356-R360 PolarHBondContact O-N 2.86Å; E356-R360 VanDerWaalsContact O-N 3.09Å; E356-R360 IonicContact OE1-CZ 3.85Å; E356-R360 IonicContact OE1-NE 3.11Å; E356-R360 PolarHBondContact OE1-NE 3.48Å; E356-R360 IonicContact OE1-NH2 2.72Å; E356-R360 PolarHBondContact OE1-NH2 2.9Å; E356-V370 HydrophobicContact CB-CG2 4.46Å; E356-V370 HydrophobicContact CG-CG2 3.97Å; E356-K372 IonicContact OE2-NZ 2.62Å; E356-K372 PolarHBondContact OE2-NZ 3.14Å; E356-K392 HydrophobicContact CB-CD 4.3Å; E356-K392 IonicContact OE2-NZ 3.42Å; E356-K392 PolarHBondContact OE2-NZ 2.78Å; E356-V394 HydrophobicContact CB-CG2 4.23Å
357P98.8Very high98.7Very high65 Ų6554.6 Ų54.642%0.42228%0.282SS..Hα-helixtrans-58.8-43.1174.9-26.935.8000114.2P208 R360 E361P208-P357 HydrophobicContact CG-CG 4Å; P357-R360 PolarHBondContact O-N 3.39Å; P357-E361 WeakPolarHBondContact O-CB 3.31Å; P357-E361 PolarHBondContact O-N 3.29Å
358Q98.8Very high98.7Very high80 Ų8055.2 Ų55.237%0.37429%0.286SS..Hα-helixtrans-66.6-40.3-179.9-73.6167-34.400112L354 T355 E356 R360 E361 Q362L354-Q358 HydrophobicContact CB-CB 4.19Å; L354-Q358 HydrophobicContact CD2-CB 4.38Å; T355-Q358 PolarHBondContact O-N 2.97Å; T355-Q358 VanDerWaalsContact O-N 3.15Å; T355-Q358 WeakPolarHBondContact OG1-CB 3.22Å; T355-Q358 VanDerWaalsContact OG1-CD 3.24Å; T355-Q358 VanDerWaalsContact OG1-CG 3.24Å; T355-Q358 WeakPolarHBondContact OG1-CG 3.25Å; T355-Q358 PolarHBondContact OG1-N 2.72Å; T355-Q358 PolarHBondContact OG1-OE1 3.42Å; E356-Q358 PolarHBondContact O-N 3.06Å; Q358-R360 VanDerWaalsContact C-N 3.34Å; Q358-E361 PolarHBondContact O-N 2.92Å; Q358-Q362 VanDerWaalsContact O-CB 3.24Å; Q358-Q362 WeakPolarHBondContact O-CB 3.11Å; Q358-Q362 PolarHBondContact O-N 2.99Å
359A98.8Very high98.7Very high0 Ų059.9 Ų59.90%031%0.306CS..Hα-helixtrans-63.9-40.9176.300000111.4L354 T355 E356 Q362 Y363 V368 V394 V403L354-A359 HydrophobicContact CB-CB 4.32Å; L354-A359 HydrophobicContact CD1-CB 4.47Å; T355-A359 PolarHBondContact O-N 2.79Å; E356-A359 PolarHBondContact O-N 3.44Å; A359-Q362 PolarHBondContact O-N 3.46Å; A359-Y363 WeakPolarHBondContact O-CB 3.47Å; A359-Y363 WeakPolarHBondContact O-CD2 3.41Å; A359-Y363 PolarHBondContact O-N 3.39Å; A359-V368 HydrophobicContact CB-CG1 4.33Å; A359-V368 HydrophobicContact CB-CG2 4.09Å; A359-V368 WeakPolarHBondContact O-CG2 3.28Å; A359-V394 HydrophobicContact CB-CG1 3.45Å; A359-V394 VanDerWaalsContact CB-CG1 3.45Å; A359-V403 HydrophobicContact CB-CG2 4.19Å
360R98.7Very high98.7Very high74 Ų7461 Ų6128%0.27931%0.313SS..Hα-helixtrans-65.1-43.3176-69.6175.6-177.9-62.7-7.4112.2E356 P357 Q358 Q362 G364 D365 V368E356-R360 WeakPolarHBondContact O-CG 3.35Å; E356-R360 PolarHBondContact O-N 2.86Å; E356-R360 VanDerWaalsContact O-N 3.09Å; E356-R360 IonicContact OE1-CZ 3.85Å; E356-R360 IonicContact OE1-NE 3.11Å; E356-R360 PolarHBondContact OE1-NE 3.48Å; E356-R360 IonicContact OE1-NH2 2.72Å; E356-R360 PolarHBondContact OE1-NH2 2.9Å; P357-R360 PolarHBondContact O-N 3.39Å; Q358-R360 VanDerWaalsContact C-N 3.34Å; R360-Q362 VanDerWaalsContact C-N 3.34Å; R360-Q362 PolarHBondContact O-N 2.95Å; R360-G364 WeakPolarHBondContact O-CA 3.34Å; R360-G364 PolarHBondContact O-N 3.43Å; R360-D365 WeakPolarHBondContact CD-OD1 3.23Å; R360-D365 WeakPolarHBondContact CG-OD1 3.4Å; R360-D365 IonicContact CZ-OD1 3.36Å; R360-D365 IonicContact NE-OD1 2.7Å; R360-D365 IonicContact NH1-OD1 2.69Å; R360-D365 PolarHBondContact NH1-OD1 3.33Å; R360-V368 HydrophobicContact CG-CB 4.22Å; R360-V368 HydrophobicContact CG-CG1 4.17Å; R360-V368 HydrophobicContact CG-CG2 4.26Å
361E98.6Very high98.7Very high173 Ų17362.1 Ų62.181%0.80832%0.317SS*.Hα-helixtrans-61.5-42.5175.3-177.4177.4-171.500111.8P357 Q358P357-E361 WeakPolarHBondContact O-CB 3.31Å; P357-E361 PolarHBondContact O-N 3.29Å; Q358-E361 PolarHBondContact O-N 2.92Å
362Q98.6Very high98.7Very high117 Ų11767 Ų6755%0.54734%0.337SS..Hα-helixtrans-80.2-36.6-174.8-176.4173.2-34.100114Q358 A359 R360Q358-Q362 VanDerWaalsContact O-CB 3.24Å; Q358-Q362 WeakPolarHBondContact O-CB 3.11Å; Q358-Q362 PolarHBondContact O-N 2.99Å; A359-Q362 PolarHBondContact O-N 3.46Å; R360-Q362 VanDerWaalsContact C-N 3.34Å; R360-Q362 PolarHBondContact O-N 2.95Å
363Y98.6Very high98.7Very high97 Ų9767.8 Ų67.838%0.3834%0.343SS..Hα-helixtrans-114.4-13.5-172.1-63.3-84.6000114.3L354 A359 Q367 V396L354-Y363 HydrophobicContact CD1-CD2 4.46Å; L354-Y363 HydrophobicContact CD1-CE2 3.7Å; A359-Y363 WeakPolarHBondContact O-CB 3.47Å; A359-Y363 WeakPolarHBondContact O-CD2 3.41Å; A359-Y363 PolarHBondContact O-N 3.39Å; Y363-Q367 WeakPolarHBondContact O-CB 3.33Å; Y363-Q367 WeakPolarHBondContact O-CG 3.48Å; Y363-V396 HydrophobicContact CD1-CG1 4.45Å; Y363-V396 HydrophobicContact CD2-CG1 3.73Å; Y363-V396 HydrophobicContact CE2-CG1 4.1Å; Y363-V396 HydrophobicContact CG-CB 4.45Å; Y363-V396 HydrophobicContact CG-CG1 3.92Å
364G98.5Very high98.7Very high34 Ų3470.4 Ų70.435%0.35136%0.357SS..  trans85.5149.9-174.300000113.3R360 D366 Q367 V368R360-G364 WeakPolarHBondContact O-CA 3.34Å; R360-G364 PolarHBondContact O-N 3.43Å; G364-D366 VanDerWaalsContact C-N 3.32Å; G364-D366 PolarHBondContact O-N 3.37Å; G364-Q367 PolarHBondContact O-N 2.92Å; G364-Q367 VanDerWaalsContact O-N 3.12Å; G364-V368 WeakPolarHBondContact O-CG2 3.41Å
365D98.5Very high98.7Very high104 Ų10470.9 Ų70.956%0.55636%0.358SS*.G310 helixtrans-58.9-38.9-174.3-77.6-53.2000113.9R360 Q367 V368R360-D365 WeakPolarHBondContact CD-OD1 3.23Å; R360-D365 WeakPolarHBondContact CG-OD1 3.4Å; R360-D365 IonicContact CZ-OD1 3.36Å; R360-D365 IonicContact NE-OD1 2.7Å; R360-D365 IonicContact NH1-OD1 2.69Å; R360-D365 PolarHBondContact NH1-OD1 3.33Å; D365-Q367 PolarHBondContact O-N 3.25Å; D365-V368 PolarHBondContact O-N 3.14Å
366D98.3Very high98.7Very high168 Ų16872.9 Ų72.990%0.89837%0.37SS*.G310 helixtrans-67.5-20-179.1-64.4-39.2000113G364G364-D366 VanDerWaalsContact C-N 3.32Å; G364-D366 PolarHBondContact O-N 3.37Å
367Q98.5Very high98.7Very high105 Ų10571.5 Ų71.549%0.49136%0.364SS..G310 helixtrans-95-9.6-179.4-67.8-63.9116.200113.2Y363 G364 D365 V396 G397Y363-Q367 WeakPolarHBondContact O-CB 3.33Å; Y363-Q367 WeakPolarHBondContact O-CG 3.48Å; G364-Q367 PolarHBondContact O-N 2.92Å; G364-Q367 VanDerWaalsContact O-N 3.12Å; D365-Q367 PolarHBondContact O-N 3.25Å; Q367-V396 CarbonylContact O-C 3.56Å; Q367-V396 VanDerWaalsContact O-CA 3.24Å; Q367-V396 WeakPolarHBondContact O-CA 3.46Å; Q367-G397 PolarHBondContact O-N 2.88Å
368V98.8Very high98.7Very high15 Ų1574.7 Ų74.79%0.09138%0.375CS..EExtended strand (participates in β ladder)trans-107.4122.3-172.3176.80000111.2A359 R360 G364 D365 V370 V394 C395 V396A359-V368 HydrophobicContact CB-CG1 4.33Å; A359-V368 HydrophobicContact CB-CG2 4.09Å; A359-V368 WeakPolarHBondContact O-CG2 3.28Å; R360-V368 HydrophobicContact CG-CB 4.22Å; R360-V368 HydrophobicContact CG-CG1 4.17Å; R360-V368 HydrophobicContact CG-CG2 4.26Å; G364-V368 WeakPolarHBondContact O-CG2 3.41Å; D365-V368 PolarHBondContact O-N 3.14Å; V368-V370 HydrophobicContact CG1-CG2 4.04Å; V368-V394 HydrophobicContact CG1-CG1 4.09Å; V368-C395 WeakPolarHBondContact CA-O 3.46Å; V368-V396 HydrophobicContact CG2-CG1 4.25Å
369K98.8Very high98.7Very high100 Ų10075.1 Ų75.144%0.43537%0.374SS..EExtended strand (participates in β ladder)trans-114.2132.3171.5178.264.5175.3-178.70109.9Y371 C395K369-Y371 HydrophobicContact CG-CD2 4.3Å; K369-Y371 HydrophobicContact CG-CE2 3.61Å; K369-C395 HydrophobicContact CB-CB 4.48Å; K369-C395 PolarHBondContact N-O 2.87Å; K369-C395 WeakPolarHBondContact O-CA 3.42Å; K369-C395 WeakPolarHBondContact O-CB 3.33Å; K369-C395 PolarHBondContact O-N 2.73Å
370V98.9Very high98.7Very high24 Ų2475.1 Ų75.115%0.14537%0.374CS..EExtended strand (participates in β ladder)trans-118134.3-179.1-179.70000110.2E356 V368 K372 K392 L393 V394E356-V370 HydrophobicContact CB-CG2 4.46Å; E356-V370 HydrophobicContact CG-CG2 3.97Å; V368-V370 HydrophobicContact CG1-CG2 4.04Å; V370-K372 HydrophobicContact CG1-CD 4.45Å; V370-K372 HydrophobicContact CG1-CG 4.01Å; V370-K392 HydrophobicContact CG1-CD 3.71Å; V370-K392 HydrophobicContact CG1-CG 3.58Å; V370-L393 WeakPolarHBondContact CA-O 3.26Å; V370-V394 HydrophobicContact CG2-CG1 4.49Å
371Y98.9Very high98.7Very high24 Ų2472.8 Ų72.89%0.09437%0.37CS..EExtended strand (participates in β ladder)trans-112.6141.6171.4-68.2-90.6000109.5K369 K392 L393 E400 K429 M449 R450K369-Y371 HydrophobicContact CG-CD2 4.3Å; K369-Y371 HydrophobicContact CG-CE2 3.61Å; Y371-K392 VanDerWaalsContact O-CA 3.28Å; Y371-K392 WeakPolarHBondContact O-CA 3.32Å; Y371-L393 PolarHBondContact N-O 3.18Å; Y371-L393 PolarHBondContact O-N 3.22Å; Y371-E400 PolarHBondContact OH-OE1 2.8Å; Y371-E400 PolarHBondContact OH-OE2 2.78Å; Y371-K429 HydrophobicContact CD2-CD 4.16Å; Y371-K429 HydrophobicContact CD2-CG 4.44Å; Y371-K429 HydrophobicContact CE2-CD 4.16Å; Y371-K429 HydrophobicContact CE2-CG 3.94Å; Y371-M449 HydrophobicContact CD1-CB 4.29Å; Y371-M449 HydrophobicContact CG-CB 4.44Å; Y371-R450 WeakPolarHBondContact CE1-OXT 3.45Å
372K98.8Very high98.7Very high117 Ų11769.1 Ų69.151%0.50936%0.359SS..EExtended strand (participates in β ladder)trans-136141.8-178.6-54.5-173.9-173-164.80110.1E356 V370 M391 K392E356-K372 IonicContact OE2-NZ 2.62Å; E356-K372 PolarHBondContact OE2-NZ 3.14Å; V370-K372 HydrophobicContact CG1-CD 4.45Å; V370-K372 HydrophobicContact CG1-CG 4.01Å; K372-M391 CarbonylContact C-O 3.58Å; K372-M391 VanDerWaalsContact CA-O 3.29Å; K372-M391 WeakPolarHBondContact CA-O 3.45Å; K372-K392 HydrophobicContact CG-CG 4.31Å
373S98.7Very high98.7Very high19 Ų1964 Ų6413%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-123.2140.8162.9-179.10000109.1R390 M391 E445S373-R390 WeakPolarHBondContact O-CA 3.46Å; S373-M391 PolarHBondContact N-O 3.43Å; S373-M391 PolarHBondContact O-N 3.27Å; S373-E445 PolarHBondContact OG-OE2 3.37Å
374S98.8Very high98.7Very high81 Ų8164.5 Ų64.557%0.56635%0.349SS*.EExtended strand (participates in β ladder)trans-139.1120.1177.4-177.60000108.6C389 R390S374-C389 WeakPolarHBondContact CA-O 3.46Å; S374-R390 PolarHBondContact OG-NE 2.82Å
375F98.8Very high98.7Very high46 Ų4666.7 Ų66.720%0.20235%0.351CS..EExtended strand (participates in β ladder)trans-148174.3-175.560-79.1000110.1C389 M391 A442 E445F375-C389 HydrophobicContact CD1-CB 3.98Å; F375-C389 HydrophobicContact CD2-CB 3.82Å; F375-C389 HydrophobicContact CE1-CB 3.57Å; F375-C389 HydrophobicContact CE2-CB 3.42Å; F375-C389 VanDerWaalsContact CE2-CB 3.42Å; F375-C389 HydrophobicContact CG-CB 4.09Å; F375-C389 HydrophobicContact CZ-CB 3.28Å; F375-C389 PolarHBondContact N-O 3.49Å; F375-C389 PolarHBondContact O-N 2.87Å; F375-M391 HydrophobicContact CE1-CE 4.23Å; F375-M391 HydrophobicContact CE1-CG 4.38Å; F375-M391 HydrophobicContact CE1-SD 4.07Å; F375-M391 HydrophobicContact CZ-CE 3.93Å; F375-M391 HydrophobicContact CZ-SD 4.33Å; F375-A442 HydrophobicContact CE2-CB 4.11Å; F375-A442 HydrophobicContact CZ-CB 4Å; F375-E445 HydrophobicContact CD1-CB 4.4Å; F375-E445 HydrophobicContact CD1-CG 3.87Å; F375-E445 HydrophobicContact CE1-CB 3.76Å; F375-E445 HydrophobicContact CE1-CG 3.5Å; F375-E445 VanDerWaalsContact CE1-CG 3.5Å; F375-E445 HydrophobicContact CE2-CG 4.28Å; F375-E445 HydrophobicContact CG-CG 4.43Å; F375-E445 HydrophobicContact CZ-CB 4.18Å; F375-E445 HydrophobicContact CZ-CG 3.71Å
376T98.7Very high98.7Very high54 Ų5469.2 Ų69.233%0.33135%0.352SS..EExtended strand (participates in β ladder)trans-97.7134.7171.7-58.50000108.8M378 A381 R386 Q387T376-M378 PolarHBondContact O-N 2.74Å; T376-A381 HydrophobicContact CG2-CB 3.81Å; T376-R386 HydrophobicContact CG2-CB 3.9Å; T376-Q387 WeakPolarHBondContact CA-O 3.45Å; T376-Q387 WeakPolarHBondContact CG2-O 3.48Å
377A98.7Very high98.7Very high4 Ų461.4 Ų61.43%0.03331%0.31CS..  trans-57.4127.2175.700000110.3Y379 T380 A381 Q387 F410A377-Y379 PolarHBondContact O-N 3.08Å; A377-Y379 VanDerWaalsContact O-N 3.12Å; A377-T380 CarbonylContact O-C 3.5Å; A377-T380 PolarHBondContact O-N 3.32Å; A377-T380 PolarHBondContact O-OG1 2.92Å; A377-T380 VanDerWaalsContact O-OG1 3.12Å; A377-A381 WeakPolarHBondContact O-CB 3.3Å; A377-A381 PolarHBondContact O-N 3.38Å; A377-Q387 PolarHBondContact N-O 2.93Å; A377-Q387 VanDerWaalsContact N-O 3.12Å; A377-F410 HydrophobicContact CB-CB 4.1Å; A377-F410 HydrophobicContact CB-CD2 3.71Å; A377-F410 HydrophobicContact CB-CG 4.28Å
378M98.7Very high98.7Very high132 Ų13257.4 Ų57.465%0.6529%0.293SS*.Hα-helixtrans-55.7-36.3-176.3-174.4177.4-70.400112.7T376 T380 A381 P440T376-M378 PolarHBondContact O-N 2.74Å; M378-T380 VanDerWaalsContact C-N 3.28Å; M378-T380 PolarHBondContact O-N 3.39Å; M378-A381 PolarHBondContact O-N 3.41Å; M378-P440 HydrophobicContact CE-CB 3.72Å; M378-P440 HydrophobicContact CE-CG 4.46Å; M378-P440 HydrophobicContact SD-CB 4.3Å; M378-P440 HydrophobicContact SD-CG 4.49Å
379Y98.7Very high98.7Very high90 Ų9056.7 Ų56.735%0.35329%0.289SS..Hα-helixtrans-55.4-40.3175.5176-121.4000113.1Y66 Y70 A377 F410Y66-Y379 WeakPolarHBondContact CB-OH 3.49Å; Y66-Y379 HydrophobicContact CD1-CE1 4.4Å; Y66-Y379 HydrophobicContact CD2-CD1 4.49Å; Y66-Y379 AromaticContact CD2-CE1 3.38Å; Y66-Y379 HydrophobicContact CD2-CE1 3.38Å; Y66-Y379 AromaticContact CD2-CZ 3.62Å; Y66-Y379 VanDerWaalsContact CD2-OH 3.23Å; Y66-Y379 WeakPolarHBondContact CD2-OH 3.35Å; Y66-Y379 AromaticContact CE2-CE1 3.67Å; Y66-Y379 HydrophobicContact CE2-CE1 3.67Å; Y66-Y379 AromaticContact CG-CE1 3.78Å; Y66-Y379 HydrophobicContact CG-CE1 3.78Å; Y66-Y379 AromaticContact CG-CZ 3.85Å; Y70-Y379 HydrophobicContact CE2-CD2 4.49Å; Y70-Y379 HydrophobicContact CE2-CE2 4.4Å; Y70-Y379 WeakPolarHBondContact CE2-O 3.25Å; Y70-Y379 PolarHBondContact OH-O 3.29Å; A377-Y379 PolarHBondContact O-N 3.08Å; A377-Y379 VanDerWaalsContact O-N 3.12Å; Y379-F410 HydrophobicContact CD1-CD1 4.13Å; Y379-F410 AromaticContact CD1-CE1 3.77Å; Y379-F410 HydrophobicContact CD1-CE1 3.77Å; Y379-F410 HydrophobicContact CD1-CE2 4.37Å; Y379-F410 AromaticContact CD1-CZ 3.9Å; Y379-F410 HydrophobicContact CD1-CZ 3.9Å; Y379-F410 HydrophobicContact CE1-CE1 4Å; Y379-F410 HydrophobicContact CE1-CZ 4.15Å
380T98.7Very high98.7Very high0 Ų054.5 Ų54.50%028%0.278CS..Hα-helixtrans-97.6-12-178.865.90000112.7Y66 A377 M378 V382 T383 H385 Q387 F410Y66-T380 HydrophobicContact CD1-CG2 4.21Å; Y66-T380 HydrophobicContact CE1-CG2 3.58Å; A377-T380 CarbonylContact O-C 3.5Å; A377-T380 PolarHBondContact O-N 3.32Å; A377-T380 PolarHBondContact O-OG1 2.92Å; A377-T380 VanDerWaalsContact O-OG1 3.12Å; M378-T380 VanDerWaalsContact C-N 3.28Å; M378-T380 PolarHBondContact O-N 3.39Å; T380-V382 PolarHBondContact O-N 3.32Å; T380-T383 PolarHBondContact O-N 3Å; T380-T383 VanDerWaalsContact O-N 3.08Å; T380-T383 PolarHBondContact O-OG1 3.05Å; T380-H385 WeakPolarHBondContact CB-O 3.48Å; T380-Q387 HydrophobicContact CG2-CB 4.18Å; T380-Q387 HydrophobicContact CG2-CG 4.29Å; T380-Q387 PolarHBondContact OG1-N 2.84Å; T380-F410 HydrophobicContact CG2-CD2 4.03Å; T380-F410 HydrophobicContact CG2-CE2 3.39Å; T380-F410 HydrophobicContact CG2-CZ 3.96Å
381A98.6Very high98.7Very high24 Ų2453.4 Ų53.420%0.19827%0.271CS..Hα-helixtrans-65.7-23.3-17300000114.2T376 A377 M378 R386T376-A381 HydrophobicContact CG2-CB 3.81Å; A377-A381 WeakPolarHBondContact O-CB 3.3Å; A377-A381 PolarHBondContact O-N 3.38Å; M378-A381 PolarHBondContact O-N 3.41Å; A381-R386 PolarHBondContact O-NE 3.02Å; A381-R386 PolarHBondContact O-NH2 3.31Å
382V98.5Very high98.7Very high96 Ų9652.4 Ų52.458%0.58227%0.267SS*.THydrogen-bonded Turntrans-96-0.8178-59.50000113.3Y70 T380Y70-V382 HydrophobicContact CD2-CG2 4.46Å; Y70-V382 HydrophobicContact CE1-CG2 3.9Å; Y70-V382 HydrophobicContact CE2-CG2 3.67Å; Y70-V382 VanDerWaalsContact OH-CG2 3.27Å; Y70-V382 WeakPolarHBondContact OH-CG2 3.3Å; T380-V382 PolarHBondContact O-N 3.32Å
383T98.8Very high98.7Very high10 Ų1046.9 Ų46.96%0.06124%0.243CC..SBendtrans-102.8171.2-179.877.60000111Y66 D69 Y70 T380 H385 R386Y66-T383 HydrophobicContact CD1-CG2 4.19Å; D69-T383 HydrophobicContact CB-CG2 3.95Å; D69-T383 WeakPolarHBondContact OD2-CA 3.36Å; D69-T383 WeakPolarHBondContact OD2-CB 3.44Å; Y70-T383 HydrophobicContact CD2-CG2 3.96Å; Y70-T383 HydrophobicContact CE2-CG2 3.59Å; T380-T383 PolarHBondContact O-N 3Å; T380-T383 VanDerWaalsContact O-N 3.08Å; T380-T383 PolarHBondContact O-OG1 3.05Å; T383-H385 PolarHBondContact O-N 3.23Å; T383-H385 PolarHBondContact OG1-N 2.78Å; T383-H385 PolarHBondContact OG1-O 3.17Å; T383-R386 VanDerWaalsContact O-CG 3.25Å; T383-R386 WeakPolarHBondContact O-CG 3.46Å
384T98.4Very high98.7Very high107 Ų10746 Ų4666%0.65624%0.237SC*.SBendtrans-75.7-9.8169.255.30000112.5D69D69-T384 WeakPolarHBondContact OD2-CB 3.28Å; D69-T384 PolarHBondContact OD2-N 3.36Å; D69-T384 PolarHBondContact OD2-OG1 2.95Å
385H98.5Very high98.7Very high81 Ų8142.1 Ų42.138%0.37521%0.21SC..SBendtrans-109.858.5-179.9-65.8-82.3000111.6M65 Y66 T380 T383 Q387M65-H385 HydrophobicContact CG-CB 3.71Å; M65-H385 PolarHBondContact O-CD2 3.25Å; M65-H385 HydrophobicContact SD-CB 4.01Å; Y66-H385 HydrophobicContact CD1-CB 4.32Å; Y66-H385 HydrophobicContact CE1-CB 3.97Å; T380-H385 WeakPolarHBondContact CB-O 3.48Å; T383-H385 PolarHBondContact O-N 3.23Å; T383-H385 PolarHBondContact OG1-N 2.78Å; T383-H385 PolarHBondContact OG1-O 3.17Å; H385-Q387 PolarHBondContact O-N 3.07Å
386R98.5Very high98.7Very high157 Ų15740.3 Ų40.359%0.59220%0.203SC*.  trans-70.1122.5-176.5-54.4-175.896.5-161.53.5110.8T376 A381 T383T376-R386 HydrophobicContact CG2-CB 3.9Å; A381-R386 PolarHBondContact O-NE 3.02Å; A381-R386 PolarHBondContact O-NH2 3.31Å; T383-R386 VanDerWaalsContact O-CG 3.25Å; T383-R386 WeakPolarHBondContact O-CG 3.46Å
387Q98.7Very high98.7Very high4 Ų438.7 Ų38.72%0.01920%0.196CC..  trans-105.4139.7178.6-72.6-16219.800113.1Y66 E221 T376 A377 T380 H385 F410Y66-Q387 PolarHBondContact OH-NE2 3.37Å; E221-Q387 PolarHBondContact OE1-NE2 3.11Å; E221-Q387 PolarHBondContact OE2-NE2 3.33Å; T376-Q387 WeakPolarHBondContact CA-O 3.45Å; T376-Q387 WeakPolarHBondContact CG2-O 3.48Å; A377-Q387 PolarHBondContact N-O 2.93Å; A377-Q387 VanDerWaalsContact N-O 3.12Å; T380-Q387 HydrophobicContact CG2-CB 4.18Å; T380-Q387 HydrophobicContact CG2-CG 4.29Å; T380-Q387 PolarHBondContact OG1-N 2.84Å; H385-Q387 PolarHBondContact O-N 3.07Å; Q387-F410 HydrophobicContact CB-CE2 4.19Å; Q387-F410 HydrophobicContact CG-CE2 4.27Å
388P98.8Very high98.7Very high20 Ų2044.5 Ų44.513%0.1324%0.237CC..EExtended strand (participates in β ladder)trans-72.4143.7174.531.3-34.5000111.9T213 V217T213-P388 HydrophobicContact CG2-CB 4.28Å; T213-P388 HydrophobicContact CG2-CG 3.82Å; V217-P388 HydrophobicContact CG2-CG 3.81Å
389C98.9Very high98.7Very high0 Ų043 Ų430%023%0.229CC..EExtended strand (participates in β ladder)trans-112128.5157.5-72.60000108.2S374 F375 I408 G409S374-C389 WeakPolarHBondContact CA-O 3.46Å; F375-C389 HydrophobicContact CD1-CB 3.98Å; F375-C389 HydrophobicContact CD2-CB 3.82Å; F375-C389 HydrophobicContact CE1-CB 3.57Å; F375-C389 HydrophobicContact CE2-CB 3.42Å; F375-C389 VanDerWaalsContact CE2-CB 3.42Å; F375-C389 HydrophobicContact CG-CB 4.09Å; F375-C389 HydrophobicContact CZ-CB 3.28Å; F375-C389 PolarHBondContact N-O 3.49Å; F375-C389 PolarHBondContact O-N 2.87Å; C389-I408 CarbonylContact C-O 3.58Å; C389-I408 VanDerWaalsContact CA-O 3.3Å; C389-I408 WeakPolarHBondContact CA-O 3.5Å; C389-G409 VanDerWaalsContact SG-CA 3.56Å
390R98.9Very high98.7Very high55 Ų5541.2 Ų41.221%0.20822%0.223CC..EExtended strand (participates in β ladder)trans-128.7130.7174.6-58.8-156.2-179.5100.32.5110.5M209 T213 E216 S373 S374 G407 I408M209-R390 HydrophobicContact CE-CB 4.21Å; M209-R390 HydrophobicContact CG-CB 4.07Å; M209-R390 HydrophobicContact SD-CB 3.9Å; T213-R390 VanDerWaalsContact CB-NH1 3.35Å; T213-R390 HydrophobicContact CG2-CG 4.2Å; T213-R390 VanDerWaalsContact CG2-NH1 3.35Å; T213-R390 VanDerWaalsContact OG1-CD 3.31Å; T213-R390 WeakPolarHBondContact OG1-CD 3.39Å; T213-R390 PolarHBondContact OG1-NH1 3.16Å; E216-R390 IonicContact OE1-NH2 2.88Å; E216-R390 PolarHBondContact OE1-NH2 3.04Å; E216-R390 IonicContact OE2-CZ 3.66Å; E216-R390 IonicContact OE2-NH1 3.49Å; E216-R390 PolarHBondContact OE2-NH1 2.91Å; E216-R390 IonicContact OE2-NH2 2.79Å; E216-R390 PolarHBondContact OE2-NH2 2.83Å; S373-R390 WeakPolarHBondContact O-CA 3.46Å; S374-R390 PolarHBondContact OG-NE 2.82Å; R390-G407 CarbonylContact O-C 3.48Å; R390-G407 VanDerWaalsContact O-CA 3.25Å; R390-G407 WeakPolarHBondContact O-CA 3.22Å; R390-I408 HydrophobicContact CB-CG2 4.09Å; R390-I408 PolarHBondContact N-O 3.48Å; R390-I408 PolarHBondContact O-N 2.84Å
391M98.9Very high98.7Very high1 Ų145.5 Ų45.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-129.6145.5-176.7-66.1-179.4176.200110.3K372 S373 F375 H406 M412 M415 A442 E445 F446 M449K372-M391 CarbonylContact C-O 3.58Å; K372-M391 VanDerWaalsContact CA-O 3.29Å; K372-M391 WeakPolarHBondContact CA-O 3.45Å; S373-M391 PolarHBondContact N-O 3.43Å; S373-M391 PolarHBondContact O-N 3.27Å; F375-M391 HydrophobicContact CE1-CE 4.23Å; F375-M391 HydrophobicContact CE1-CG 4.38Å; F375-M391 HydrophobicContact CE1-SD 4.07Å; F375-M391 HydrophobicContact CZ-CE 3.93Å; F375-M391 HydrophobicContact CZ-SD 4.33Å; M391-H406 CarbonylContact C-O 3.35Å; M391-H406 WeakPolarHBondContact CA-O 3.41Å; M391-M412 HydrophobicContact CE-SD 3.73Å; M391-M415 HydrophobicContact CE-CE 3.89Å; M391-M415 HydrophobicContact CE-SD 3.62Å; M391-A442 HydrophobicContact CE-CB 4.2Å; M391-A442 VanDerWaalsContact CE-O 3.25Å; M391-A442 WeakPolarHBondContact CE-O 3.17Å; M391-E445 HydrophobicContact SD-CB 3.69Å; M391-F446 HydrophobicContact CB-CD1 4.31Å; M391-F446 HydrophobicContact CB-CE1 3.79Å; M391-F446 HydrophobicContact CB-CZ 3.91Å; M391-F446 HydrophobicContact CE-CD2 4.24Å; M391-F446 HydrophobicContact CE-CE2 3.88Å; M391-F446 HydrophobicContact CG-CE1 4.16Å; M391-F446 HydrophobicContact CG-CE2 4.01Å; M391-F446 HydrophobicContact CG-CZ 3.76Å; M391-F446 HydrophobicContact SD-CD1 4.4Å; M391-F446 HydrophobicContact SD-CD2 3.64Å; M391-F446 HydrophobicContact SD-CE1 4.3Å; M391-F446 HydrophobicContact SD-CE2 3.52Å; M391-F446 VanDerWaalsContact SD-CE2 3.52Å; M391-F446 HydrophobicContact SD-CG 4.09Å; M391-F446 HydrophobicContact SD-CZ 3.87Å; M391-M449 HydrophobicContact CB-CE 3.49Å; M391-M449 VanDerWaalsContact CB-CE 3.49Å
392K99Very high98.7Very high3 Ų344.5 Ų44.51%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-142.1135.3-178.3-176.8-174.2-61.5-169.70111.3D207 M209 E356 V370 Y371 K372 V394 H406D207-K392 VanDerWaalsContact OD1-CE 3.3Å; D207-K392 WeakPolarHBondContact OD1-CE 3.47Å; D207-K392 IonicContact OD1-NZ 3.45Å; D207-K392 PolarHBondContact OD1-NZ 2.77Å; D207-K392 IonicContact OD2-NZ 3.61Å; D207-K392 PolarHBondContact OD2-NZ 3.07Å; M209-K392 HydrophobicContact CE-CB 3.62Å; M209-K392 HydrophobicContact SD-CB 3.72Å; E356-K392 HydrophobicContact CB-CD 4.3Å; E356-K392 IonicContact OE2-NZ 3.42Å; E356-K392 PolarHBondContact OE2-NZ 2.78Å; V370-K392 HydrophobicContact CG1-CD 3.71Å; V370-K392 HydrophobicContact CG1-CG 3.58Å; Y371-K392 VanDerWaalsContact O-CA 3.28Å; Y371-K392 WeakPolarHBondContact O-CA 3.32Å; K372-K392 HydrophobicContact CG-CG 4.31Å; K392-V394 HydrophobicContact CD-CG2 3.9Å; K392-V394 HydrophobicContact CG-CG2 4.18Å; K392-H406 HydrophobicContact CB-CB 4.36Å; K392-H406 PolarHBondContact N-O 2.92Å; K392-H406 PolarHBondContact O-N 3.24Å
393L98.9Very high98.7Very high0 Ų040.6 Ų40.60%021%0.209CC..EExtended strand (participates in β ladder)trans-108.8133.7162-61.5176.5000109.4V370 Y371 I402 G404 I405 K429 F432 F446 M449V370-L393 WeakPolarHBondContact CA-O 3.26Å; Y371-L393 PolarHBondContact N-O 3.18Å; Y371-L393 PolarHBondContact O-N 3.22Å; L393-I402 HydrophobicContact CD1-CD1 4.34Å; L393-I402 HydrophobicContact CD2-CD1 4.49Å; L393-I402 HydrophobicContact CD2-CG2 4.3Å; L393-G404 WeakPolarHBondContact CA-O 3.44Å; L393-I405 HydrophobicContact CD2-CB 4.19Å; L393-I405 HydrophobicContact CD2-CD1 4.31Å; L393-I405 HydrophobicContact CD2-CG1 3.71Å; L393-I405 HydrophobicContact CD2-CG2 3.93Å; L393-K429 HydrophobicContact CD1-CD 4.17Å; L393-F432 HydrophobicContact CD1-CD1 3.89Å; L393-F432 HydrophobicContact CD1-CE1 4.21Å; L393-F432 HydrophobicContact CD2-CD1 4.49Å; L393-F432 HydrophobicContact CD2-CE1 3.98Å; L393-F446 HydrophobicContact CD2-CD1 3.9Å; L393-F446 HydrophobicContact CD2-CE1 4.29Å; L393-F446 HydrophobicContact CG-CD1 4.29Å; L393-M449 HydrophobicContact CB-SD 4.34Å; L393-M449 HydrophobicContact CD1-SD 4.03Å; L393-M449 HydrophobicContact CG-CE 4.38Å; L393-M449 HydrophobicContact CG-SD 3.84Å
394V98.9Very high98.7Very high0 Ų040.1 Ų40.10%021%0.207CC..EExtended strand (participates in β ladder)trans-110.2116.6173.6-174.40000107.5E356 A359 V368 V370 K392 V403 G404E356-V394 HydrophobicContact CB-CG2 4.23Å; A359-V394 HydrophobicContact CB-CG1 3.45Å; A359-V394 VanDerWaalsContact CB-CG1 3.45Å; V368-V394 HydrophobicContact CG1-CG1 4.09Å; V370-V394 HydrophobicContact CG2-CG1 4.49Å; K392-V394 HydrophobicContact CD-CG2 3.9Å; K392-V394 HydrophobicContact CG-CG2 4.18Å; V394-V403 HydrophobicContact CB-CG2 4.36Å; V394-V403 HydrophobicContact CG1-CG2 3.98Å; V394-V403 WeakPolarHBondContact O-CG2 3.36Å; V394-V403 PolarHBondContact O-N 2.83Å; V394-G404 PolarHBondContact N-O 3.42Å; V394-G404 PolarHBondContact O-N 3.11Å
395C98.9Very high98.7Very high0 Ų035 Ų350%018%0.175CC..EExtended strand (participates in β ladder)trans-116.9149.9-174.6-53.80000110.8V368 K369 E400 K401V368-C395 WeakPolarHBondContact CA-O 3.46Å; K369-C395 HydrophobicContact CB-CB 4.48Å; K369-C395 PolarHBondContact N-O 2.87Å; K369-C395 WeakPolarHBondContact O-CA 3.42Å; K369-C395 WeakPolarHBondContact O-CB 3.33Å; K369-C395 PolarHBondContact O-N 2.73Å; C395-E400 HydrophobicContact CB-CB 3.93Å; C395-K401 CarbonylContact C-O 3.57Å; C395-K401 VanDerWaalsContact CA-O 3.22Å; C395-K401 WeakPolarHBondContact CA-O 3.33Å
396V98.8Very high98.8Very high9 Ų931.1 Ų31.16%0.05516%0.157CC..EExtended strand (participates in β ladder)trans-127.6149.9176.6-58.90000112.4Y363 Q367 V368 E400 K401 V403Y363-V396 HydrophobicContact CD1-CG1 4.45Å; Y363-V396 HydrophobicContact CD2-CG1 3.73Å; Y363-V396 HydrophobicContact CE2-CG1 4.1Å; Y363-V396 HydrophobicContact CG-CB 4.45Å; Y363-V396 HydrophobicContact CG-CG1 3.92Å; Q367-V396 CarbonylContact O-C 3.56Å; Q367-V396 VanDerWaalsContact O-CA 3.24Å; Q367-V396 WeakPolarHBondContact O-CA 3.46Å; V368-V396 HydrophobicContact CG2-CG1 4.25Å; V396-E400 WeakPolarHBondContact O-CA 3.44Å; V396-E400 PolarHBondContact O-N 2.91Å; V396-K401 HydrophobicContact CG2-CB 4.21Å; V396-K401 PolarHBondContact N-O 2.86Å; V396-K401 PolarHBondContact O-N 3.32Å; V396-V403 HydrophobicContact CB-CG1 4.42Å; V396-V403 HydrophobicContact CG1-CG1 4.05Å; V396-V403 HydrophobicContact CG1-CG2 3.66Å; V396-V403 HydrophobicContact CG2-CG1 3.54Å
397G98.5Very high98.8Very high19 Ų1923.7 Ų23.720%0.19613%0.129CC..THydrogen-bonded Turntrans74.7175173.400000114.1Q367 E399 E400Q367-G397 PolarHBondContact O-N 2.88Å; G397-E399 PolarHBondContact O-N 2.88Å; G397-E400 PolarHBondContact O-N 3.47Å; G397-E400 VanDerWaalsContact O-N 3.12Å
398S98.1Very high98.8Very high127 Ų12723.5 Ų23.589%0.88813%0.128SC*.THydrogen-bonded Turntrans-65.3-24-179.749.70000113.8E400S398-E400 VanDerWaalsContact C-N 3.32Å
399E98.1Very high98.8Very high101 Ų10122.5 Ų22.547%0.47212%0.122SC..THydrogen-bonded Turntrans-85-7.2177.272.7-79.8-165.200113.2G397 K401 T428G397-E399 PolarHBondContact O-N 2.88Å; E399-K401 HydrophobicContact CG-CB 4.08Å; E399-K401 PolarHBondContact O-N 3.02Å; E399-T428 HydrophobicContact CB-CG2 4.48Å; E399-T428 HydrophobicContact CG-CG2 4.35Å; E399-T428 WeakPolarHBondContact O-CB 3.15Å; E399-T428 WeakPolarHBondContact O-CG2 3.32Å
400E98.8Very high98.8Very high51 Ų5124.2 Ų24.224%0.23813%0.129CC..THydrogen-bonded Turntrans52.451.5-176.4-58.5-170.715100112.4Y371 C395 V396 G397 S398 I402 T428 K429Y371-E400 PolarHBondContact OH-OE1 2.8Å; Y371-E400 PolarHBondContact OH-OE2 2.78Å; C395-E400 HydrophobicContact CB-CB 3.93Å; V396-E400 WeakPolarHBondContact O-CA 3.44Å; V396-E400 PolarHBondContact O-N 2.91Å; G397-E400 PolarHBondContact O-N 3.47Å; G397-E400 VanDerWaalsContact O-N 3.12Å; S398-E400 VanDerWaalsContact C-N 3.32Å; E400-I402 PolarHBondContact O-N 2.89Å; E400-T428 CarbonylContact O-C 3.34Å; E400-T428 WeakPolarHBondContact O-CA 3.31Å; E400-K429 HydrophobicContact CB-CB 3.78Å; E400-K429 PolarHBondContact O-N 3.01Å; E400-K429 WeakPolarHBondContact OE2-CB 3.47Å; E400-K429 WeakPolarHBondContact OE2-CG 3.42Å
401K98.8Very high98.8Very high91 Ų9123.1 Ų23.140%0.39614%0.136SC..EExtended strand (participates in β ladder)trans-63.6127.1174.9-176.6-179.3-178.1-179.80109.4C395 V396 E399 V403C395-K401 CarbonylContact C-O 3.57Å; C395-K401 VanDerWaalsContact CA-O 3.22Å; C395-K401 WeakPolarHBondContact CA-O 3.33Å; V396-K401 HydrophobicContact CG2-CB 4.21Å; V396-K401 PolarHBondContact N-O 2.86Å; V396-K401 PolarHBondContact O-N 3.32Å; E399-K401 HydrophobicContact CG-CB 4.08Å; E399-K401 PolarHBondContact O-N 3.02Å; K401-V403 PolarHBondContact O-N 2.76Å
402I98.9Very high98.8Very high3 Ų323.1 Ų23.12%0.01514%0.135CC..EExtended strand (participates in β ladder)trans-75.3119.9-179.5-61.2168.8000109L393 E400 I405 L423 A427 F432L393-I402 HydrophobicContact CD1-CD1 4.34Å; L393-I402 HydrophobicContact CD2-CD1 4.49Å; L393-I402 HydrophobicContact CD2-CG2 4.3Å; E400-I402 PolarHBondContact O-N 2.89Å; I402-I405 HydrophobicContact CG2-CD1 3.94Å; I402-I405 HydrophobicContact CG2-CG1 3.53Å; I402-L423 HydrophobicContact CG2-CD1 4.2Å; I402-A427 PolarHBondContact N-O 3.04Å; I402-F432 HydrophobicContact CD1-CD1 4.12Å; I402-F432 HydrophobicContact CD1-CD2 3.45Å; I402-F432 VanDerWaalsContact CD1-CD2 3.45Å; I402-F432 HydrophobicContact CD1-CE1 4.06Å; I402-F432 HydrophobicContact CD1-CE2 3.4Å; I402-F432 HydrophobicContact CD1-CG 3.84Å; I402-F432 HydrophobicContact CD1-CZ 3.71Å
403V98.8Very high98.7Very high13 Ų1324.3 Ų24.38%0.07914%0.142CC..EExtended strand (participates in β ladder)trans-113.3-10.8177.4-62.40000113.1G353 L354 A359 V394 V396 K401G353-V403 CarbonylContact C-O 3.58Å; G353-V403 VanDerWaalsContact CA-O 3.25Å; G353-V403 WeakPolarHBondContact CA-O 3.46Å; L354-V403 HydrophobicContact CD1-CB 4.4Å; L354-V403 HydrophobicContact CD1-CG2 4.41Å; L354-V403 PolarHBondContact N-O 2.9Å; A359-V403 HydrophobicContact CB-CG2 4.19Å; V394-V403 HydrophobicContact CB-CG2 4.36Å; V394-V403 HydrophobicContact CG1-CG2 3.98Å; V394-V403 WeakPolarHBondContact O-CG2 3.36Å; V394-V403 PolarHBondContact O-N 2.83Å; V396-V403 HydrophobicContact CB-CG1 4.42Å; V396-V403 HydrophobicContact CG1-CG1 4.05Å; V396-V403 HydrophobicContact CG1-CG2 3.66Å; V396-V403 HydrophobicContact CG2-CG1 3.54Å; K401-V403 PolarHBondContact O-N 2.76Å
404G98.9Very high98.7Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-149.4135.1176.900000111.9V352 L354 L393 V394V352-G404 WeakPolarHBondContact O-CA 3.49Å; L354-G404 WeakPolarHBondContact O-CA 3.31Å; L393-G404 WeakPolarHBondContact CA-O 3.44Å; V394-G404 PolarHBondContact N-O 3.42Å; V394-G404 PolarHBondContact O-N 3.11Å
405I98.9Very high98.7Very high0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-131118.4174.1-52.3178.9000107.1T351 V352 L393 I402 F419 L423 F432 F446T351-I405 CarbonylContact C-O 3.55Å; T351-I405 WeakPolarHBondContact CA-O 3.19Å; V352-I405 HydrophobicContact CG1-CB 3.76Å; V352-I405 HydrophobicContact CG1-CD1 4.33Å; V352-I405 HydrophobicContact CG1-CG1 4.23Å; V352-I405 PolarHBondContact N-O 3.26Å; V352-I405 PolarHBondContact O-N 2.89Å; L393-I405 HydrophobicContact CD2-CB 4.19Å; L393-I405 HydrophobicContact CD2-CD1 4.31Å; L393-I405 HydrophobicContact CD2-CG1 3.71Å; L393-I405 HydrophobicContact CD2-CG2 3.93Å; I402-I405 HydrophobicContact CG2-CD1 3.94Å; I402-I405 HydrophobicContact CG2-CG1 3.53Å; I405-F419 HydrophobicContact CD1-CB 3.88Å; I405-L423 HydrophobicContact CD1-CB 4.22Å; I405-L423 HydrophobicContact CD1-CD1 4.07Å; I405-L423 HydrophobicContact CG1-CD1 3.98Å; I405-F432 HydrophobicContact CD1-CE1 4.42Å; I405-F432 HydrophobicContact CD1-CZ 3.85Å; I405-F446 HydrophobicContact CG2-CD1 4.04Å; I405-F446 HydrophobicContact CG2-CE1 3.5Å; I405-F446 HydrophobicContact CG2-CZ 3.83Å
406H98.9Very high98.7Very high0 Ų032.5 Ų32.50%018%0.181CC..EExtended strand (participates in β ladder)trans-133.2137.1-173.9-50.3-66.4000109.6D207 M209 I210 T351 L354 M391 K392D207-H406 HydrophobicContact CB-CB 4.48Å; M209-H406 HydrophobicContact CE-CB 4.39Å; I210-H406 HydrophobicContact CD1-CB 3.83Å; I210-H406 HydrophobicContact CG1-CB 4.44Å; T351-H406 PolarHBondContact OG1-CE1 3.14Å; T351-H406 PolarHBondContact OG1-ND1 2.83Å; L354-H406 PolarHBondContact O-CE1 3.24Å; L354-H406 PolarHBondContact O-NE2 3.48Å; M391-H406 CarbonylContact C-O 3.35Å; M391-H406 WeakPolarHBondContact CA-O 3.41Å; K392-H406 HydrophobicContact CB-CB 4.36Å; K392-H406 PolarHBondContact N-O 2.92Å; K392-H406 PolarHBondContact O-N 3.24Å
407G98.9Very high98.7Very high0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-155.3152172.600000112.8I349 G350 R390I349-G407 WeakPolarHBondContact CA-O 3.33Å; G350-G407 PolarHBondContact N-O 3.19Å; G350-G407 PolarHBondContact O-N 2.73Å; R390-G407 CarbonylContact O-C 3.48Å; R390-G407 VanDerWaalsContact O-CA 3.25Å; R390-G407 WeakPolarHBondContact O-CA 3.22Å
408I98.9Very high98.7Very high0 Ų039.6 Ų39.60%022%0.222CC..EExtended strand (participates in β ladder)trans-137.3127175.4178.1168.3000107.8T213 L214 P347 P348 I349 C389 R390T213-I408 HydrophobicContact CG2-CD1 4.07Å; T213-I408 HydrophobicContact CG2-CG1 4.33Å; T213-I408 HydrophobicContact CG2-CG2 3.66Å; L214-I408 HydrophobicContact CB-CD1 3.82Å; L214-I408 HydrophobicContact CD1-CD1 4.36Å; P347-I408 HydrophobicContact CG-CD1 4.37Å; P347-I408 HydrophobicContact CG-CG1 3.76Å; P348-I408 WeakPolarHBondContact O-CA 3.49Å; I349-I408 HydrophobicContact CD1-CD1 4.09Å; I349-I408 HydrophobicContact CG1-CB 3.99Å; I349-I408 HydrophobicContact CG1-CD1 3.74Å; I349-I408 HydrophobicContact CG1-CG1 3.77Å; C389-I408 CarbonylContact C-O 3.58Å; C389-I408 VanDerWaalsContact CA-O 3.3Å; C389-I408 WeakPolarHBondContact CA-O 3.5Å; R390-I408 HydrophobicContact CB-CG2 4.09Å; R390-I408 PolarHBondContact N-O 3.48Å; R390-I408 PolarHBondContact O-N 2.84Å
409G98.8Very high98.7Very high0 Ų035 Ų350%019%0.186CC..SBendtrans151.5168.4-174.300000113.7P348 C389 G411 M412P348-G409 PolarHBondContact O-N 3.45Å; C389-G409 VanDerWaalsContact SG-CA 3.56Å; G409-G411 PolarHBondContact O-N 2.89Å; G409-M412 WeakPolarHBondContact O-CB 3.49Å; G409-M412 VanDerWaalsContact O-CG 3.32Å; G409-M412 WeakPolarHBondContact O-CG 3.3Å; G409-M412 PolarHBondContact O-N 3Å
410F98.7Very high98.8Very high35 Ų3530.5 Ų30.515%0.15417%0.166CC..THydrogen-bonded Turntrans-55.2130177.5-83-86.3000111.8Y66 A377 Y379 T380 Q387Y66-F410 HydrophobicContact CE2-CZ 4.19Å; A377-F410 HydrophobicContact CB-CB 4.1Å; A377-F410 HydrophobicContact CB-CD2 3.71Å; A377-F410 HydrophobicContact CB-CG 4.28Å; Y379-F410 HydrophobicContact CD1-CD1 4.13Å; Y379-F410 AromaticContact CD1-CE1 3.77Å; Y379-F410 HydrophobicContact CD1-CE1 3.77Å; Y379-F410 HydrophobicContact CD1-CE2 4.37Å; Y379-F410 AromaticContact CD1-CZ 3.9Å; Y379-F410 HydrophobicContact CD1-CZ 3.9Å; Y379-F410 HydrophobicContact CE1-CE1 4Å; Y379-F410 HydrophobicContact CE1-CZ 4.15Å; T380-F410 HydrophobicContact CG2-CD2 4.03Å; T380-F410 HydrophobicContact CG2-CE2 3.39Å; T380-F410 HydrophobicContact CG2-CZ 3.96Å; Q387-F410 HydrophobicContact CB-CE2 4.19Å; Q387-F410 HydrophobicContact CG-CE2 4.27Å
411G98.4Very high98.8Very high33 Ų3331.9 Ų31.934%0.3418%0.178SC..THydrogen-bonded Turntrans84.1-0177.700000115.6G409 D413 E414 M415G409-G411 PolarHBondContact O-N 2.89Å; G411-D413 PolarHBondContact O-N 3.07Å; G411-E414 PolarHBondContact O-N 3.17Å; G411-M415 VanDerWaalsContact O-CE 3.26Å; G411-M415 WeakPolarHBondContact O-CE 3.38Å; G411-M415 PolarHBondContact O-N 2.88Å
412M98.8Very high98.8Very high0 Ų028.9 Ų28.90%017%0.17CC..Hα-helixtrans-58.6-29.2177.2-80.8-58.2-47.200113.1P348 M391 G409 E414 M415 F446P348-M412 HydrophobicContact CB-CB 4.32Å; M391-M412 HydrophobicContact CE-SD 3.73Å; G409-M412 WeakPolarHBondContact O-CB 3.49Å; G409-M412 VanDerWaalsContact O-CG 3.32Å; G409-M412 WeakPolarHBondContact O-CG 3.3Å; G409-M412 PolarHBondContact O-N 3Å; M412-E414 VanDerWaalsContact C-N 3.31Å; M412-E414 PolarHBondContact O-N 3.33Å; M412-M415 HydrophobicContact CE-CG 4.23Å; M412-M415 HydrophobicContact CE-SD 4.23Å; M412-M415 HydrophobicContact CG-CE 4.42Å; M412-M415 HydrophobicContact SD-CE 3.92Å; M412-M415 HydrophobicContact SD-CG 4.1Å; M412-M415 HydrophobicContact SD-SD 3.44Å; M412-F446 HydrophobicContact CE-CE2 4.08Å; M412-F446 HydrophobicContact CE-CZ 4.1Å; M412-F446 HydrophobicContact SD-CE2 4.05Å; M412-F446 HydrophobicContact SD-CZ 4.33Å
413D98.6Very high98.7Very high28 Ų2829.1 Ų29.115%0.1517%0.171CC..Hα-helixtrans-66.2-30-178.459.1-50.6000113.7K51 V342 F344 P348 G411K51-D413 IonicContact NZ-OD2 2.73Å; V342-D413 HydrophobicContact CG1-CB 3.62Å; F344-D413 HydrophobicContact CD1-CB 4.36Å; F344-D413 HydrophobicContact CE1-CB 3.72Å; F344-D413 HydrophobicContact CZ-CB 4.4Å; P348-D413 HydrophobicContact CB-CB 4.09Å; P348-D413 HydrophobicContact CG-CB 4.49Å; G411-D413 PolarHBondContact O-N 3.07Å
414E98.7Very high98.7Very high141 Ų14133.2 Ų33.266%0.65919%0.188SC*.Hα-helixtrans-99.1-31.6179.9-67.1-64.9165.600112.8G411 M412G411-E414 PolarHBondContact O-N 3.17Å; M412-E414 VanDerWaalsContact C-N 3.31Å; M412-E414 PolarHBondContact O-N 3.33Å
415M98.4Very high98.7Very high27 Ų2740.8 Ų40.813%0.13323%0.226CC..Hα-helixtrans-75.7-27.6-172.971.2179.377.200114.4M391 G411 M412 Q417 F419 A442 A443 F446M391-M415 HydrophobicContact CE-CE 3.89Å; M391-M415 HydrophobicContact CE-SD 3.62Å; G411-M415 VanDerWaalsContact O-CE 3.26Å; G411-M415 WeakPolarHBondContact O-CE 3.38Å; G411-M415 PolarHBondContact O-N 2.88Å; M412-M415 HydrophobicContact CE-CG 4.23Å; M412-M415 HydrophobicContact CE-SD 4.23Å; M412-M415 HydrophobicContact CG-CE 4.42Å; M412-M415 HydrophobicContact SD-CE 3.92Å; M412-M415 HydrophobicContact SD-CG 4.1Å; M412-M415 HydrophobicContact SD-SD 3.44Å; M415-Q417 VanDerWaalsContact C-N 3.27Å; M415-Q417 PolarHBondContact O-N 3.49Å; M415-F419 WeakPolarHBondContact O-CD2 3.37Å; M415-A442 HydrophobicContact CE-CB 3.83Å; M415-A443 HydrophobicContact CB-CB 4.03Å; M415-A443 HydrophobicContact CE-CB 4.48Å; M415-A443 HydrophobicContact SD-CB 4.11Å; M415-F446 HydrophobicContact SD-CD2 4.1Å; M415-F446 HydrophobicContact SD-CE2 3.73Å
416L98.8Very high98.7Very high4 Ų442.1 Ų42.12%0.02124%0.239CC..Hα-helixtrans-62.7-32.6-169.4-173.170000113.3P340 T341 V342 V352 G418 F419 A420P340-L416 HydrophobicContact CB-CD2 3.85Å; P340-L416 HydrophobicContact CB-CG 4.31Å; T341-L416 WeakPolarHBondContact O-CD2 3.48Å; V342-L416 HydrophobicContact CG2-CD2 4.04Å; V352-L416 HydrophobicContact CG1-CD1 4.09Å; L416-G418 VanDerWaalsContact C-N 3.33Å; L416-G418 PolarHBondContact O-N 3.37Å; L416-F419 PolarHBondContact O-N 3.33Å; L416-A420 PolarHBondContact O-N 3.19Å
417Q98.8Very high98.7Very high127 Ų12742.6 Ų42.659%0.59324%0.243SC*.Hα-helixtrans-61.1-38.8-169-17659.286.300113M415 V421M415-Q417 VanDerWaalsContact C-N 3.27Å; M415-Q417 PolarHBondContact O-N 3.49Å; Q417-V421 PolarHBondContact O-N 3.32Å
418G98.5Very high98.7Very high51 Ų5143.8 Ų43.853%0.52625%0.25SS..Hα-helixtrans-68.7-42.517700000112.4L416 A420 V421 A422L416-G418 VanDerWaalsContact C-N 3.33Å; L416-G418 PolarHBondContact O-N 3.37Å; G418-A420 VanDerWaalsContact C-N 3.3Å; G418-A420 PolarHBondContact O-N 3.32Å; G418-V421 WeakPolarHBondContact O-CB 3.45Å; G418-V421 PolarHBondContact O-N 2.95Å; G418-V421 VanDerWaalsContact O-N 3.13Å; G418-A422 PolarHBondContact O-N 2.83Å
419F98.7Very high98.7Very high30 Ų3044 Ų4413%0.13225%0.251CS..Hα-helixtrans-65.7-32.3177-66-62.1000112.8I405 M415 L416 V421 A422 L423 F432 F446 V447I405-F419 HydrophobicContact CD1-CB 3.88Å; M415-F419 WeakPolarHBondContact O-CD2 3.37Å; L416-F419 PolarHBondContact O-N 3.33Å; F419-V421 VanDerWaalsContact C-N 3.3Å; F419-V421 PolarHBondContact O-N 2.69Å; F419-A422 PolarHBondContact O-N 3.19Å; F419-L423 WeakPolarHBondContact O-CB 3.27Å; F419-L423 PolarHBondContact O-N 3.23Å; F419-F432 AromaticContact CD1-CE1 3.52Å; F419-F432 HydrophobicContact CD1-CE1 3.52Å; F419-F432 HydrophobicContact CD1-CE2 4.47Å; F419-F432 AromaticContact CD1-CZ 3.48Å; F419-F432 HydrophobicContact CD1-CZ 3.48Å; F419-F432 VanDerWaalsContact CD1-CZ 3.48Å; F419-F432 HydrophobicContact CE1-CD1 4.34Å; F419-F432 AromaticContact CE1-CE1 3.68Å; F419-F432 HydrophobicContact CE1-CE1 3.68Å; F419-F432 HydrophobicContact CE1-CZ 4.06Å; F419-F432 HydrophobicContact CG-CZ 4.44Å; F419-F446 HydrophobicContact CD2-CD2 4.07Å; F419-F446 HydrophobicContact CD2-CE2 4.49Å; F419-F446 HydrophobicContact CE1-CB 3.89Å; F419-F446 HydrophobicContact CE2-CB 4.14Å; F419-F446 AromaticContact CE2-CD2 3.53Å; F419-F446 HydrophobicContact CE2-CD2 3.53Å; F419-F446 HydrophobicContact CE2-CE2 4.27Å; F419-F446 HydrophobicContact CE2-CG 4.1Å; F419-F446 HydrophobicContact CZ-CB 3.57Å; F419-F446 AromaticContact CZ-CD2 3.89Å; F419-F446 HydrophobicContact CZ-CD2 3.89Å; F419-F446 HydrophobicContact CZ-CG 4.05Å; F419-V447 HydrophobicContact CE1-CG1 4.25Å
420A98.8Very high98.7Very high7 Ų750.3 Ų50.36%0.05828%0.279CS..Hα-helixtrans-62.7-36.117300000112.3P340 L416 G418 K424P340-A420 HydrophobicContact CB-CB 3.78Å; P340-A420 HydrophobicContact CG-CB 3.77Å; L416-A420 PolarHBondContact O-N 3.19Å; G418-A420 VanDerWaalsContact C-N 3.3Å; G418-A420 PolarHBondContact O-N 3.32Å; A420-K424 WeakPolarHBondContact O-CB 3.48Å; A420-K424 PolarHBondContact O-N 3.49Å
421V98.8Very high98.7Very high79 Ų7952.2 Ų52.248%0.47929%0.29SS..Hα-helixtrans-65-48.1173.2176.30000110.5Q417 G418 F419 L423 K424 M425Q417-V421 PolarHBondContact O-N 3.32Å; G418-V421 WeakPolarHBondContact O-CB 3.45Å; G418-V421 PolarHBondContact O-N 2.95Å; G418-V421 VanDerWaalsContact O-N 3.13Å; F419-V421 VanDerWaalsContact C-N 3.3Å; F419-V421 PolarHBondContact O-N 2.69Å; V421-L423 PolarHBondContact O-N 2.9Å; V421-K424 WeakPolarHBondContact O-CB 3.36Å; V421-K424 PolarHBondContact O-N 3.41Å; V421-K424 VanDerWaalsContact O-N 3.11Å; V421-M425 HydrophobicContact CG1-SD 4.12Å; V421-M425 WeakPolarHBondContact O-CG 3.45Å; V421-M425 PolarHBondContact O-N 3.28Å
422A98.7Very high98.7Very high28 Ų2851 Ų5123%0.23128%0.276CS..Hα-helixtrans-58.9-45178.900000112G418 F419 K424 M425 G426 A427 F432G418-A422 PolarHBondContact O-N 2.83Å; F419-A422 PolarHBondContact O-N 3.19Å; A422-K424 VanDerWaalsContact C-N 3.33Å; A422-K424 PolarHBondContact O-N 2.81Å; A422-M425 WeakPolarHBondContact O-CB 3.29Å; A422-M425 PolarHBondContact O-N 3.12Å; A422-M425 VanDerWaalsContact O-N 3.16Å; A422-G426 PolarHBondContact O-N 2.99Å; A422-A427 HydrophobicContact CB-CB 4.06Å; A422-A427 VanDerWaalsContact O-CB 3.23Å; A422-A427 WeakPolarHBondContact O-CB 3.37Å; A422-A427 PolarHBondContact O-N 3.19Å; A422-F432 HydrophobicContact CB-CE2 4.16Å
423L98.6Very high98.7Very high8 Ų855.1 Ų55.14%0.04230%0.298CS..Hα-helixtrans-62.4-40.3175.2-174.9153000111.5N338 V352 I402 I405 F419 V421 M425 G426N338-L423 HydrophobicContact CB-CD2 3.51Å; N338-L423 VanDerWaalsContact ND2-CD2 3.32Å; N338-L423 WeakPolarHBondContact ND2-CD2 3.36Å; V352-L423 HydrophobicContact CG1-CD1 4.13Å; V352-L423 HydrophobicContact CG2-CD1 4.46Å; V352-L423 HydrophobicContact CG2-CD2 4.45Å; I402-L423 HydrophobicContact CG2-CD1 4.2Å; I405-L423 HydrophobicContact CD1-CB 4.22Å; I405-L423 HydrophobicContact CD1-CD1 4.07Å; I405-L423 HydrophobicContact CG1-CD1 3.98Å; F419-L423 WeakPolarHBondContact O-CB 3.27Å; F419-L423 PolarHBondContact O-N 3.23Å; V421-L423 PolarHBondContact O-N 2.9Å; L423-M425 VanDerWaalsContact C-N 3.26Å; L423-M425 PolarHBondContact O-N 3.43Å; L423-G426 PolarHBondContact O-N 2.88Å
424K98.4Very high98.7Very high99 Ų9958.9 Ų58.943%0.4332%0.318SS..Hα-helixtrans-64.3-30.7176.1-156.469.5175.1177.10112.7D335 S337 A420 V421 A422 G426D335-K424 VanDerWaalsContact CG-NZ 3.35Å; D335-K424 IonicContact OD1-NZ 2.73Å; D335-K424 WeakPolarHBondContact OD2-CE 3.35Å; D335-K424 IonicContact OD2-NZ 3.67Å; D335-K424 PolarHBondContact OD2-NZ 2.91Å; S337-K424 PolarHBondContact O-NZ 3.37Å; S337-K424 PolarHBondContact OG-NZ 3.03Å; S337-K424 VanDerWaalsContact OG-NZ 3.12Å; A420-K424 WeakPolarHBondContact O-CB 3.48Å; A420-K424 PolarHBondContact O-N 3.49Å; V421-K424 WeakPolarHBondContact O-CB 3.36Å; V421-K424 PolarHBondContact O-N 3.41Å; V421-K424 VanDerWaalsContact O-N 3.11Å; A422-K424 VanDerWaalsContact C-N 3.33Å; A422-K424 PolarHBondContact O-N 2.81Å; K424-G426 PolarHBondContact O-N 3.04Å
425M98.6Very high98.7Very high160 Ų16056 Ų5679%0.78831%0.31SS*.THydrogen-bonded Turntrans-76.8-5.8172.4-66.9177.965.700113.6V421 A422 L423V421-M425 HydrophobicContact CG1-SD 4.12Å; V421-M425 WeakPolarHBondContact O-CG 3.45Å; V421-M425 PolarHBondContact O-N 3.28Å; A422-M425 WeakPolarHBondContact O-CB 3.29Å; A422-M425 PolarHBondContact O-N 3.12Å; A422-M425 VanDerWaalsContact O-N 3.16Å; L423-M425 VanDerWaalsContact C-N 3.26Å; L423-M425 PolarHBondContact O-N 3.43Å
426G98.7Very high98.7Very high28 Ų2861 Ų6129%0.28934%0.342SS..THydrogen-bonded Turntrans83.830179.400000114.3A422 L423 K424A422-G426 PolarHBondContact O-N 2.99Å; L423-G426 PolarHBondContact O-N 2.88Å; K424-G426 PolarHBondContact O-N 3.04Å
427A98.7Very high98.7Very high9 Ų962.7 Ų62.77%0.07436%0.356CS..  trans-53.4145.3179.500000113.6I402 A422 D431 F432I402-A427 PolarHBondContact N-O 3.04Å; A422-A427 HydrophobicContact CB-CB 4.06Å; A422-A427 VanDerWaalsContact O-CB 3.23Å; A422-A427 WeakPolarHBondContact O-CB 3.37Å; A422-A427 PolarHBondContact O-N 3.19Å; A427-D431 HydrophobicContact CB-CB 4.32Å; A427-F432 HydrophobicContact CB-CD2 4.4Å; A427-F432 HydrophobicContact CB-CE2 4.01Å
428T98.9Very high98.7Very high26 Ų2662.7 Ų62.716%0.1636%0.359CS..BIsolated β-bridgetrans-105.6167.1173.261.80000110.6E399 E400 K430 D431 F432E399-T428 HydrophobicContact CB-CG2 4.48Å; E399-T428 HydrophobicContact CG-CG2 4.35Å; E399-T428 WeakPolarHBondContact O-CB 3.15Å; E399-T428 WeakPolarHBondContact O-CG2 3.32Å; E400-T428 CarbonylContact O-C 3.34Å; E400-T428 WeakPolarHBondContact O-CA 3.31Å; T428-K430 PolarHBondContact O-N 2.94Å; T428-D431 PolarHBondContact N-OD2 3.26Å; T428-D431 WeakPolarHBondContact O-CB 3.17Å; T428-D431 PolarHBondContact O-N 2.9Å; T428-D431 PolarHBondContact OG1-N 3.12Å; T428-D431 PolarHBondContact OG1-OD2 2.87Å; T428-F432 PolarHBondContact O-N 3.49Å
429K98.9Very high98.7Very high4 Ų467.1 Ų67.12%0.01737%0.366CS..Hα-helixtrans-54.8-34.8171.6-178.455.9168.863.70112.4Y371 L393 E400 D431 F432 D433 M449Y371-K429 HydrophobicContact CD2-CD 4.16Å; Y371-K429 HydrophobicContact CD2-CG 4.44Å; Y371-K429 HydrophobicContact CE2-CD 4.16Å; Y371-K429 HydrophobicContact CE2-CG 3.94Å; L393-K429 HydrophobicContact CD1-CD 4.17Å; E400-K429 HydrophobicContact CB-CB 3.78Å; E400-K429 PolarHBondContact O-N 3.01Å; E400-K429 WeakPolarHBondContact OE2-CB 3.47Å; E400-K429 WeakPolarHBondContact OE2-CG 3.42Å; K429-D431 VanDerWaalsContact C-N 3.34Å; K429-D431 PolarHBondContact O-N 3.28Å; K429-F432 WeakPolarHBondContact O-CB 3.43Å; K429-F432 PolarHBondContact O-N 3.4Å; K429-D433 IonicContact NZ-OD1 3.16Å; K429-D433 PolarHBondContact NZ-OD1 2.93Å; K429-D433 IonicContact NZ-OD2 2.65Å; K429-D433 PolarHBondContact NZ-OD2 3.01Å; K429-D433 VanDerWaalsContact NZ-OD2 3.11Å; K429-D433 PolarHBondContact O-N 3.04Å; K429-M449 WeakPolarHBondContact CE-O 3.49Å; K429-M449 PolarHBondContact NZ-O 2.99Å
430K98.8Very high98.7Very high132 Ų13269.4 Ų69.457%0.57438%0.384SS*.Hα-helixtrans-61.8-38.5175.8180178.1176.8610113T428 F432 D433 N434T428-K430 PolarHBondContact O-N 2.94Å; K430-F432 VanDerWaalsContact C-N 3.27Å; K430-F432 PolarHBondContact O-N 2.92Å; K430-D433 PolarHBondContact O-N 3.1Å; K430-N434 WeakPolarHBondContact O-CB 3.32Å; K430-N434 VanDerWaalsContact O-CG 3.25Å; K430-N434 PolarHBondContact O-N 2.82Å; K430-N434 PolarHBondContact O-ND2 2.89Å
431D98.8Very high98.7Very high75 Ų7571.8 Ų71.840%0.40140%0.398SS..Hα-helixtrans-66.4-35.2178.9-60.1-55.3000111.2A427 T428 K429 T435A427-D431 HydrophobicContact CB-CB 4.32Å; T428-D431 PolarHBondContact N-OD2 3.26Å; T428-D431 WeakPolarHBondContact O-CB 3.17Å; T428-D431 PolarHBondContact O-N 2.9Å; T428-D431 PolarHBondContact OG1-N 3.12Å; T428-D431 PolarHBondContact OG1-OD2 2.87Å; K429-D431 VanDerWaalsContact C-N 3.34Å; K429-D431 PolarHBondContact O-N 3.28Å; D431-T435 PolarHBondContact O-OG1 2.79Å
432F98.8Very high98.7Very high8 Ų869.3 Ų69.34%0.03539%0.385CS..Hα-helixtrans-67.8-47.4173-83-132.9000110.7L393 I402 I405 F419 A422 A427 T428 K429 K430 N434 T435 F446 V447L393-F432 HydrophobicContact CD1-CD1 3.89Å; L393-F432 HydrophobicContact CD1-CE1 4.21Å; L393-F432 HydrophobicContact CD2-CD1 4.49Å; L393-F432 HydrophobicContact CD2-CE1 3.98Å; I402-F432 HydrophobicContact CD1-CD1 4.12Å; I402-F432 HydrophobicContact CD1-CD2 3.45Å; I402-F432 VanDerWaalsContact CD1-CD2 3.45Å; I402-F432 HydrophobicContact CD1-CE1 4.06Å; I402-F432 HydrophobicContact CD1-CE2 3.4Å; I402-F432 HydrophobicContact CD1-CG 3.84Å; I402-F432 HydrophobicContact CD1-CZ 3.71Å; I405-F432 HydrophobicContact CD1-CE1 4.42Å; I405-F432 HydrophobicContact CD1-CZ 3.85Å; F419-F432 AromaticContact CD1-CE1 3.52Å; F419-F432 HydrophobicContact CD1-CE1 3.52Å; F419-F432 HydrophobicContact CD1-CE2 4.47Å; F419-F432 AromaticContact CD1-CZ 3.48Å; F419-F432 HydrophobicContact CD1-CZ 3.48Å; F419-F432 VanDerWaalsContact CD1-CZ 3.48Å; F419-F432 HydrophobicContact CE1-CD1 4.34Å; F419-F432 AromaticContact CE1-CE1 3.68Å; F419-F432 HydrophobicContact CE1-CE1 3.68Å; F419-F432 HydrophobicContact CE1-CZ 4.06Å; F419-F432 HydrophobicContact CG-CZ 4.44Å; A422-F432 HydrophobicContact CB-CE2 4.16Å; A427-F432 HydrophobicContact CB-CD2 4.4Å; A427-F432 HydrophobicContact CB-CE2 4.01Å; T428-F432 PolarHBondContact O-N 3.49Å; K429-F432 WeakPolarHBondContact O-CB 3.43Å; K429-F432 PolarHBondContact O-N 3.4Å; K430-F432 VanDerWaalsContact C-N 3.27Å; K430-F432 PolarHBondContact O-N 2.92Å; F432-N434 VanDerWaalsContact C-N 3.25Å; F432-N434 PolarHBondContact O-N 2.9Å; F432-T435 WeakPolarHBondContact O-CB 3.39Å; F432-T435 PolarHBondContact O-N 2.86Å; F432-F446 WeakPolarHBondContact CD1-O 3.33Å; F432-F446 HydrophobicContact CE1-CB 4.36Å; F432-V447 HydrophobicContact CB-CG1 4.34Å; F432-V447 HydrophobicContact CD1-CG1 4.14Å; F432-V447 HydrophobicContact CG-CG1 4.41Å
433D98.8Very high98.7Very high87 Ų8769.4 Ų69.447%0.46539%0.386SS..Hα-helixtrans-61.8-31.5179.1-71.7-15.7000113.6K429 K430 T435K429-D433 IonicContact NZ-OD1 3.16Å; K429-D433 PolarHBondContact NZ-OD1 2.93Å; K429-D433 IonicContact NZ-OD2 2.65Å; K429-D433 PolarHBondContact NZ-OD2 3.01Å; K429-D433 VanDerWaalsContact NZ-OD2 3.11Å; K429-D433 PolarHBondContact O-N 3.04Å; K430-D433 PolarHBondContact O-N 3.1Å; D433-T435 PolarHBondContact O-N 2.9Å
434N98.6Very high98.7Very high107 Ų10770.2 Ų70.257%0.57239%0.389SS*.THydrogen-bonded Turntrans-78.8-6.6177.4-74-18.9000113.2K430 F432K430-N434 WeakPolarHBondContact O-CB 3.32Å; K430-N434 VanDerWaalsContact O-CG 3.25Å; K430-N434 PolarHBondContact O-N 2.82Å; K430-N434 PolarHBondContact O-ND2 2.89Å; F432-N434 VanDerWaalsContact C-N 3.25Å; F432-N434 PolarHBondContact O-N 2.9Å
435T98.8Very high98.7Very high79 Ų7967.9 Ų67.949%0.48538%0.38SS..SBendtrans-90.4118.6177.5-58.50000109.6D431 F432 D433 A437 V447D431-T435 PolarHBondContact O-OG1 2.79Å; F432-T435 WeakPolarHBondContact O-CB 3.39Å; F432-T435 PolarHBondContact O-N 2.86Å; D433-T435 PolarHBondContact O-N 2.9Å; T435-A437 PolarHBondContact O-N 2.82Å; T435-V447 HydrophobicContact CG2-CG1 4.47Å
436V98.6Very high98.7Very high134 Ų13460.2 Ų60.281%0.81234%0.343SS*.PPolyproline II helixtrans-65.1129.6176.6-179.70000109.9
437A98.7Very high98.7Very high39 Ų3959.8 Ų59.832%0.32233%0.334SS..PPolyproline II helixtrans-60.2153.4179.100000113.7T435 E444 V447 T448T435-A437 PolarHBondContact O-N 2.82Å; A437-E444 HydrophobicContact CB-CB 3.95Å; A437-V447 HydrophobicContact CB-CG2 4.24Å; A437-T448 HydrophobicContact CB-CG2 4.17Å
438I98.8Very high98.7Very high127 Ų12762.3 Ų62.365%0.65135%0.349SS*.  trans-106.7117.7167.8-58.9177.3000108.3T441 E444I438-T441 HydrophobicContact CB-CG2 4.39Å; I438-T441 HydrophobicContact CG2-CG2 3.85Å; I438-T441 WeakPolarHBondContact O-CG2 3.43Å; I438-T441 PolarHBondContact O-OG1 2.8Å; I438-E444 WeakPolarHBondContact O-CB 3.4Å
439H98.4Very high98.7Very high144 Ų14461.3 Ų61.367%0.66734%0.342SS*.SBendtrans-119.7138.3-172.2-170.875.3000112.1E444H439-E444 IonicContact CE1-OE1 3.6Å; H439-E444 IonicContact CE1-OE2 2.69Å; H439-E444 IonicContact CG-OE1 3.28Å; H439-E444 IonicContact CG-OE2 2.78Å; H439-E444 VanDerWaalsContact ND1-CD 3.31Å; H439-E444 IonicContact ND1-OE1 3.9Å; H439-E444 PolarHBondContact ND1-OE1 2.87Å; H439-E444 IonicContact ND1-OE2 3.99Å; H439-E444 PolarHBondContact ND1-OE2 2.91Å
440P97.8Very high98.5Very high78 Ų7873.9 Ų73.951%0.50639%0.39SS..SBendcis-92.7116.9-3.233.2-30000112.5M378M378-P440 HydrophobicContact CE-CB 3.72Å; M378-P440 HydrophobicContact CE-CG 4.46Å; M378-P440 HydrophobicContact SD-CB 4.3Å; M378-P440 HydrophobicContact SD-CG 4.49Å
441T98.8Very high98.4Very high57 Ų5771 Ų7135%0.3538%0.381SS..  trans-139.4153.8176.970.80000112I438 A443 E444I438-T441 HydrophobicContact CB-CG2 4.39Å; I438-T441 HydrophobicContact CG2-CG2 3.85Å; I438-T441 WeakPolarHBondContact O-CG2 3.43Å; I438-T441 PolarHBondContact O-OG1 2.8Å; T441-A443 VanDerWaalsContact C-N 3.25Å; T441-A443 PolarHBondContact O-N 2.68Å; T441-E444 PolarHBondContact N-OE1 2.89Å; T441-E444 VanDerWaalsContact O-CG 3.24Å; T441-E444 WeakPolarHBondContact O-CG 3.46Å; T441-E444 VanDerWaalsContact O-OE1 3.07Å; T441-E444 PolarHBondContact OG1-N 2.99Å
442A98.7Very high98.4Very high26 Ų2670.8 Ų70.822%0.21538%0.379CS..SBendtrans-66.1-31.8169.600000111.8F375 M391 M415 E444 E445F375-A442 HydrophobicContact CE2-CB 4.11Å; F375-A442 HydrophobicContact CZ-CB 4Å; M391-A442 HydrophobicContact CE-CB 4.2Å; M391-A442 VanDerWaalsContact CE-O 3.25Å; M391-A442 WeakPolarHBondContact CE-O 3.17Å; M415-A442 HydrophobicContact CE-CB 3.83Å; A442-E444 VanDerWaalsContact C-N 3.25Å; A442-E444 PolarHBondContact O-N 3.48Å; A442-E445 WeakPolarHBondContact O-CB 3.26Å; A442-E445 PolarHBondContact O-N 3.38Å
443A98.8Very high98.4Very high30 Ų3074.3 Ų74.325%0.24840%0.399CS..G310 helixtrans-65.8-25-176.500000113.7M415 T441 E445 F446M415-A443 HydrophobicContact CB-CB 4.03Å; M415-A443 HydrophobicContact CE-CB 4.48Å; M415-A443 HydrophobicContact SD-CB 4.11Å; T441-A443 VanDerWaalsContact C-N 3.25Å; T441-A443 PolarHBondContact O-N 2.68Å; A443-E445 PolarHBondContact O-N 2.62Å; A443-F446 PolarHBondContact O-N 3.42Å
444E98.8Very high98.4Very high25 Ų2573.5 Ų73.512%0.11740%0.395CS..G310 helixtrans-61.4-29.1178.181.2-170.394.400112.8A437 I438 H439 T441 A442 F446 V447 T448A437-E444 HydrophobicContact CB-CB 3.95Å; I438-E444 WeakPolarHBondContact O-CB 3.4Å; H439-E444 IonicContact CE1-OE1 3.6Å; H439-E444 IonicContact CE1-OE2 2.69Å; H439-E444 IonicContact CG-OE1 3.28Å; H439-E444 IonicContact CG-OE2 2.78Å; H439-E444 VanDerWaalsContact ND1-CD 3.31Å; H439-E444 IonicContact ND1-OE1 3.9Å; H439-E444 PolarHBondContact ND1-OE1 2.87Å; H439-E444 IonicContact ND1-OE2 3.99Å; H439-E444 PolarHBondContact ND1-OE2 2.91Å; T441-E444 PolarHBondContact N-OE1 2.89Å; T441-E444 VanDerWaalsContact O-CG 3.24Å; T441-E444 WeakPolarHBondContact O-CG 3.46Å; T441-E444 VanDerWaalsContact O-OE1 3.07Å; T441-E444 PolarHBondContact OG1-N 2.99Å; A442-E444 VanDerWaalsContact C-N 3.25Å; A442-E444 PolarHBondContact O-N 3.48Å; E444-F446 PolarHBondContact O-N 2.94Å; E444-F446 VanDerWaalsContact O-N 3.12Å; E444-V447 WeakPolarHBondContact O-CG2 3.48Å; E444-V447 PolarHBondContact O-N 2.83Å; E444-T448 WeakPolarHBondContact O-CG2 3.48Å; E444-T448 PolarHBondContact O-N 3.06Å; E444-T448 PolarHBondContact O-OG1 3.27Å
445E98.8Very high98.4Very high50 Ų5071.4 Ų71.423%0.23438%0.384CS..G310 helixtrans-63-20.4-178.4-66.2-69.8147.700113.1S373 F375 M391 A442 A443 T448 M449S373-E445 PolarHBondContact OG-OE2 3.37Å; F375-E445 HydrophobicContact CD1-CB 4.4Å; F375-E445 HydrophobicContact CD1-CG 3.87Å; F375-E445 HydrophobicContact CE1-CB 3.76Å; F375-E445 HydrophobicContact CE1-CG 3.5Å; F375-E445 VanDerWaalsContact CE1-CG 3.5Å; F375-E445 HydrophobicContact CE2-CG 4.28Å; F375-E445 HydrophobicContact CG-CG 4.43Å; F375-E445 HydrophobicContact CZ-CB 4.18Å; F375-E445 HydrophobicContact CZ-CG 3.71Å; M391-E445 HydrophobicContact SD-CB 3.69Å; A442-E445 WeakPolarHBondContact O-CB 3.26Å; A442-E445 PolarHBondContact O-N 3.38Å; A443-E445 PolarHBondContact O-N 2.62Å; E445-T448 WeakPolarHBondContact CA-OG1 3.33Å; E445-M449 WeakPolarHBondContact O-CG 3.34Å
446F98.8Very high98.3Very high0 Ų070.9 Ų70.90%038%0.377CS..G310 helixtrans-72.2-33.1170.8-81.5-63.2000113.1M391 L393 I405 M412 M415 F419 F432 A443 E444 M449M391-F446 HydrophobicContact CB-CD1 4.31Å; M391-F446 HydrophobicContact CB-CE1 3.79Å; M391-F446 HydrophobicContact CB-CZ 3.91Å; M391-F446 HydrophobicContact CE-CD2 4.24Å; M391-F446 HydrophobicContact CE-CE2 3.88Å; M391-F446 HydrophobicContact CG-CE1 4.16Å; M391-F446 HydrophobicContact CG-CE2 4.01Å; M391-F446 HydrophobicContact CG-CZ 3.76Å; M391-F446 HydrophobicContact SD-CD1 4.4Å; M391-F446 HydrophobicContact SD-CD2 3.64Å; M391-F446 HydrophobicContact SD-CE1 4.3Å; M391-F446 HydrophobicContact SD-CE2 3.52Å; M391-F446 VanDerWaalsContact SD-CE2 3.52Å; M391-F446 HydrophobicContact SD-CG 4.09Å; M391-F446 HydrophobicContact SD-CZ 3.87Å; L393-F446 HydrophobicContact CD2-CD1 3.9Å; L393-F446 HydrophobicContact CD2-CE1 4.29Å; L393-F446 HydrophobicContact CG-CD1 4.29Å; I405-F446 HydrophobicContact CG2-CD1 4.04Å; I405-F446 HydrophobicContact CG2-CE1 3.5Å; I405-F446 HydrophobicContact CG2-CZ 3.83Å; M412-F446 HydrophobicContact CE-CE2 4.08Å; M412-F446 HydrophobicContact CE-CZ 4.1Å; M412-F446 HydrophobicContact SD-CE2 4.05Å; M412-F446 HydrophobicContact SD-CZ 4.33Å; M415-F446 HydrophobicContact SD-CD2 4.1Å; M415-F446 HydrophobicContact SD-CE2 3.73Å; F419-F446 HydrophobicContact CD2-CD2 4.07Å; F419-F446 HydrophobicContact CD2-CE2 4.49Å; F419-F446 HydrophobicContact CE1-CB 3.89Å; F419-F446 HydrophobicContact CE2-CB 4.14Å; F419-F446 AromaticContact CE2-CD2 3.53Å; F419-F446 HydrophobicContact CE2-CD2 3.53Å; F419-F446 HydrophobicContact CE2-CE2 4.27Å; F419-F446 HydrophobicContact CE2-CG 4.1Å; F419-F446 HydrophobicContact CZ-CB 3.57Å; F419-F446 AromaticContact CZ-CD2 3.89Å; F419-F446 HydrophobicContact CZ-CD2 3.89Å; F419-F446 HydrophobicContact CZ-CG 4.05Å; F432-F446 WeakPolarHBondContact CD1-O 3.33Å; F432-F446 HydrophobicContact CE1-CB 4.36Å; A443-F446 PolarHBondContact O-N 3.42Å; E444-F446 PolarHBondContact O-N 2.94Å; E444-F446 VanDerWaalsContact O-N 3.12Å; F446-M449 HydrophobicContact CD1-CE 3.79Å; F446-M449 HydrophobicContact CE1-CE 4.18Å
447V98.7Very high98.3Very high18 Ų1866.4 Ų66.411%0.10935%0.346CS..THydrogen-bonded Turntrans-97.81.6-176.3-60.70000113.3F419 F432 T435 A437 E444F419-V447 HydrophobicContact CE1-CG1 4.25Å; F432-V447 HydrophobicContact CB-CG1 4.34Å; F432-V447 HydrophobicContact CD1-CG1 4.14Å; F432-V447 HydrophobicContact CG-CG1 4.41Å; T435-V447 HydrophobicContact CG2-CG1 4.47Å; A437-V447 HydrophobicContact CB-CG2 4.24Å; E444-V447 WeakPolarHBondContact O-CG2 3.48Å; E444-V447 PolarHBondContact O-N 2.83Å
448T98.6Very high98.3Very high62 Ų6268.5 Ų68.538%0.3835%0.348SS..SBendtrans-117.13.6-179.858.80000114.3A437 E444 E445A437-T448 HydrophobicContact CB-CG2 4.17Å; E444-T448 WeakPolarHBondContact O-CG2 3.48Å; E444-T448 PolarHBondContact O-N 3.06Å; E444-T448 PolarHBondContact O-OG1 3.27Å; E445-T448 WeakPolarHBondContact CA-OG1 3.33Å
449M98.5Very high98.3Very high6 Ų663.7 Ų63.73%0.0332%0.322CS..  trans-62.2145.4178.9-57.5-17217700112.5Y371 M391 L393 K429 E445 F446Y371-M449 HydrophobicContact CD1-CB 4.29Å; Y371-M449 HydrophobicContact CG-CB 4.44Å; M391-M449 HydrophobicContact CB-CE 3.49Å; M391-M449 VanDerWaalsContact CB-CE 3.49Å; L393-M449 HydrophobicContact CB-SD 4.34Å; L393-M449 HydrophobicContact CD1-SD 4.03Å; L393-M449 HydrophobicContact CG-CE 4.38Å; L393-M449 HydrophobicContact CG-SD 3.84Å; K429-M449 WeakPolarHBondContact CE-O 3.49Å; K429-M449 PolarHBondContact NZ-O 2.99Å; E445-M449 WeakPolarHBondContact O-CG 3.34Å; F446-M449 HydrophobicContact CD1-CE 3.79Å; F446-M449 HydrophobicContact CE1-CE 4.18Å
450R94.4Very high98.2Very high268 Ų26856.4 Ų56.4100%1.01129%0.291SS*.  trans-135.60-178.8-65.1-173.465.683.73.7113.5Y371Y371-R450 WeakPolarHBondContact CE1-OXT 3.45Å

Retrieved 450 of 450 residues in 142 ms (Link to these results)

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