A0A096MX69_PAPAN Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity. Non-catalytic component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB (P49721), UniProt , Accession A0A096MX69, Species PAPAN (Papio anubis, Olive baboon), Gene PSMB2, Length 201 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
1M89.6Confident97.7Very high99 Ų9928.5 Ų28.549%0.48815%0.152SC..  0134.20175.357.281.200107.2Y134 F171 L173M1-Y134 HydrophobicContact CB-CD2 4.28Å; M1-Y134 HydrophobicContact CE-CD1 3.73Å; M1-Y134 HydrophobicContact CE-CD2 3.38Å; M1-Y134 HydrophobicContact CE-CE1 3.63Å; M1-Y134 HydrophobicContact CE-CE2 3.26Å; M1-Y134 HydrophobicContact CE-CG 3.59Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.39Å; M1-Y134 HydrophobicContact CG-CG 4.06Å; M1-Y134 HydrophobicContact SD-CD2 4.3Å; M1-Y134 HydrophobicContact SD-CG 4.37Å; M1-F171 HydrophobicContact CG-CZ 4.44Å; M1-L173 HydrophobicContact CB-CD1 3.6Å; M1-L173 HydrophobicContact CG-CD1 4.39Å
2E97.9Very high97.8Very high38 Ų3826.3 Ų26.318%0.17814%0.14CC..  trans-112.2161.2-173.1-57170.2103.600108.6D18 K34 V47 G48 G133E2-D18 WeakPolarHBondContact CA-OD1 3.34Å; E2-K34 HydrophobicContact CB-CD 4.22Å; E2-K34 HydrophobicContact CG-CD 4.41Å; E2-K34 VanDerWaalsContact CG-CE 3.49Å; E2-K34 WeakPolarHBondContact OE1-CE 3.35Å; E2-V47 HydrophobicContact CB-CB 3.84Å; E2-V47 HydrophobicContact CB-CG1 3.37Å; E2-V47 HydrophobicContact CG-CB 4.46Å; E2-V47 HydrophobicContact CG-CG1 4.16Å; E2-V47 WeakPolarHBondContact OE2-CA 3.28Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.44Å; E2-G48 PolarHBondContact OE2-N 3.16Å; E2-G133 WeakPolarHBondContact O-CA 3.5Å
3Y98.6Very high97.8Very high1 Ų124.2 Ų24.20%0.00413%0.129CC..  trans-130.1127.3-179.8179.8-108.7000110.8I5 S17 D18 A131 G135 T139 L164 L167 F178Y3-I5 HydrophobicContact CE1-CB 3.88Å; Y3-I5 HydrophobicContact CE1-CG2 3.7Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.13Å; Y3-S17 WeakPolarHBondContact O-CA 3.45Å; Y3-D18 PolarHBondContact N-OD1 2.78Å; Y3-D18 PolarHBondContact O-N 3.24Å; Y3-A131 HydrophobicContact CE2-CB 4.23Å; Y3-G135 VanDerWaalsContact CE2-C 3.41Å; Y3-T139 HydrophobicContact CE2-CG2 4.5Å; Y3-T139 VanDerWaalsContact OH-CB 3.31Å; Y3-T139 WeakPolarHBondContact OH-CB 2.9Å; Y3-T139 VanDerWaalsContact OH-CG2 3.31Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.22Å; Y3-T139 PolarHBondContact OH-OG1 2.9Å; Y3-L164 HydrophobicContact CD1-CD2 4.3Å; Y3-L164 HydrophobicContact CE1-CD2 3.8Å; Y3-L167 HydrophobicContact CD1-CD1 3.6Å; Y3-L167 HydrophobicContact CD2-CD1 4.21Å; Y3-L167 HydrophobicContact CE1-CD1 3.55Å; Y3-L167 HydrophobicContact CE2-CD1 4.17Å; Y3-L167 HydrophobicContact CG-CD1 3.91Å; Y3-F178 HydrophobicContact CD1-CD1 4.31Å; Y3-F178 AromaticContact CD1-CE1 3.83Å; Y3-F178 HydrophobicContact CD1-CE1 3.83Å
4L98.8Very high97.9Very high0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-121.7145.5171.1-53.8-179.2000109.4K34 L45 V47 L103 A131 H132L4-K34 HydrophobicContact CD2-CB 4.33Å; L4-K34 HydrophobicContact CD2-CD 4.47Å; L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.95Å; L4-L45 HydrophobicContact CD2-CD2 4.1Å; L4-L45 HydrophobicContact CG-CB 4.34Å; L4-V47 HydrophobicContact CD1-CB 4.26Å; L4-V47 HydrophobicContact CD1-CG1 3.79Å; L4-V47 HydrophobicContact CD1-CG2 3.63Å; L4-V47 HydrophobicContact CD2-CG1 3.6Å; L4-V47 HydrophobicContact CG-CB 4.37Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; L4-L103 HydrophobicContact CB-CD1 3.86Å; L4-L103 HydrophobicContact CB-CG 4.36Å; L4-L103 HydrophobicContact CD1-CG 4.44Å; L4-A131 CarbonylContact O-C 3.58Å; L4-A131 WeakPolarHBondContact O-CA 3.45Å; L4-A131 VanDerWaalsContact O-CB 3.27Å; L4-A131 WeakPolarHBondContact O-CB 3.43Å; L4-H132 HydrophobicContact CB-CB 4.19Å; L4-H132 HydrophobicContact CD1-CB 4.32Å; L4-H132 HydrophobicContact CG-CB 4.42Å; L4-H132 PolarHBondContact N-O 3.38Å; L4-H132 PolarHBondContact O-N 2.88Å
5I98.8Very high98Very high1 Ų121.2 Ų21.21%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-143.7140.2173.1-179.7169000109.9Y3 I7 V15 A16 A130 A131 L143 L160 C163Y3-I5 HydrophobicContact CE1-CB 3.88Å; Y3-I5 HydrophobicContact CE1-CG2 3.7Å; Y3-I5 WeakPolarHBondContact OH-CD1 3.13Å; I5-I7 HydrophobicContact CD1-CD1 4.41Å; I5-I7 HydrophobicContact CG1-CG1 4.36Å; I5-V15 CarbonylContact O-C 3.48Å; I5-V15 WeakPolarHBondContact O-CA 3.31Å; I5-A16 HydrophobicContact CG2-CB 3.68Å; I5-A16 PolarHBondContact N-O 2.79Å; I5-A16 PolarHBondContact O-N 2.91Å; I5-A130 CarbonylContact C-O 3.53Å; I5-A130 WeakPolarHBondContact CA-O 3.32Å; I5-A131 HydrophobicContact CB-CB 4.48Å; I5-L143 HydrophobicContact CD1-CD1 3.94Å; I5-L143 HydrophobicContact CD1-CD2 4.28Å; I5-L143 HydrophobicContact CG1-CD1 4.38Å; I5-L160 HydrophobicContact CD1-CD1 4.04Å; I5-L160 HydrophobicContact CG2-CD1 3.51Å; I5-C163 HydrophobicContact CD1-CB 4.11Å
6G98.8Very high98Very high0 Ų019.9 Ų19.90%011%0.106CC..EExtended strand (participates in β ladder)trans-132.9141.717200000111.1L14 L115 F129 A130G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.22Å; G6-L115 VanDerWaalsContact C-CD2 3.41Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; G6-F129 CarbonylContact O-C 3.54Å; G6-F129 WeakPolarHBondContact O-CA 3.07Å; G6-F129 WeakPolarHBondContact O-CB 3.42Å; G6-A130 PolarHBondContact N-O 3.45Å; G6-A130 PolarHBondContact O-N 3.27Å
7I98.8Very high98.1Very high1 Ų118.7 Ų18.71%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-135.4116.6178.9-51.8176.6000108.1I5 L14 L143 Y147 A156 L159 L160I5-I7 HydrophobicContact CD1-CD1 4.41Å; I5-I7 HydrophobicContact CG1-CG1 4.36Å; I7-L14 HydrophobicContact CB-CB 4.49Å; I7-L14 PolarHBondContact N-O 3.34Å; I7-L14 PolarHBondContact O-N 3.35Å; I7-L143 HydrophobicContact CD1-CD2 3.73Å; I7-L143 HydrophobicContact CG1-CD2 4.05Å; I7-Y147 HydrophobicContact CG2-CD2 3.95Å; I7-Y147 HydrophobicContact CG2-CE2 3.95Å; I7-A156 HydrophobicContact CG2-CB 4.36Å; I7-L159 HydrophobicContact CD1-CD2 4.43Å; I7-L159 HydrophobicContact CD1-CG 4.37Å; I7-L160 HydrophobicContact CD1-CB 4.31Å
8Q98.8Very high98.1Very high33 Ų3317.7 Ų17.715%0.1549%0.094CC..EExtended strand (participates in β ladder)trans-91.5121.3178.8-162.4-150.3-72.300109.9V13 P113 L115 K126 P128 Y147Q8-V13 HydrophobicContact CG-CG2 4.17Å; Q8-P113 HydrophobicContact CG-CB 3.98Å; Q8-P113 HydrophobicContact CG-CG 4.17Å; Q8-P113 PolarHBondContact NE2-O 2.91Å; Q8-P113 PolarHBondContact OE1-O 3.44Å; Q8-L115 HydrophobicContact CB-CB 4.32Å; Q8-K126 VanDerWaalsContact OE1-NZ 3.13Å; Q8-P128 WeakPolarHBondContact CA-O 3.46Å; Q8-P128 WeakPolarHBondContact CB-O 3.27Å; Q8-P128 PolarHBondContact N-O 2.91Å; Q8-Y147 VanDerWaalsContact O-CE2 3.25Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.25Å; Q8-Y147 PolarHBondContact O-OH 2.78Å
9G98.5Very high98.1Very high1 Ų119.4 Ų19.41%0.0110%0.099CC..  trans-96-16616800000112.6Y12 P113G9-Y12 PolarHBondContact N-O 3.42Å; G9-P113 VanDerWaalsContact O-CG 3.26Å; G9-P113 WeakPolarHBondContact O-CG 3.36Å
10P97.9Very high98.1Very high73 Ų7319 Ų1947%0.47410%0.098SC..SBendtrans-65.1-41.7177.5-25.435.8000114.4P113 P149 I151P10-P113 VanDerWaalsContact O-CD 3.25Å; P10-P113 WeakPolarHBondContact O-CD 3.27Å; P10-P113 VanDerWaalsContact O-CG 3.29Å; P10-P113 WeakPolarHBondContact O-CG 3.47Å; P10-P149 WeakPolarHBondContact CG-O 3.13Å; P10-I151 WeakPolarHBondContact CD-O 3.5Å
11D98Very high98Very high67 Ų6719.5 Ų19.536%0.35811%0.105SC..SBendtrans-129.511.7-171.870.4-53000113.1Y107 R153D11-Y107 VanDerWaalsContact O-CE2 3.24Å; D11-Y107 WeakPolarHBondContact O-CE2 3.33Å; D11-R153 IonicContact OD2-CZ 3.44Å; D11-R153 IonicContact OD2-NE 3.72Å; D11-R153 IonicContact OD2-NH2 3.96Å; D11-R153 PolarHBondContact OD2-NH2 3.43Å
12Y98.7Very high98.4Very high1 Ų118.1 Ų18.10%0.00411%0.109CC..EExtended strand (participates in β ladder)trans-152.3163.2-177.369.4-84.1000113G9 L14 P113 I151 S152 R153 A156 I182 I183G9-Y12 PolarHBondContact N-O 3.42Å; Y12-L14 HydrophobicContact CD2-CB 4.28Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; Y12-P113 WeakPolarHBondContact O-CB 3.35Å; Y12-I151 WeakPolarHBondContact CE1-O 3.5Å; Y12-I151 PolarHBondContact OH-O 3.14Å; Y12-S152 PolarHBondContact OH-O 3.4Å; Y12-R153 HydrophobicContact CD1-CG 3.4Å; Y12-R153 HydrophobicContact CD2-CG 4.17Å; Y12-R153 HydrophobicContact CE1-CB 4.28Å; Y12-R153 HydrophobicContact CE1-CG 3.43Å; Y12-R153 VanDerWaalsContact CE1-CG 3.43Å; Y12-R153 HydrophobicContact CE2-CG 4.2Å; Y12-R153 HydrophobicContact CG-CG 3.79Å; Y12-R153 PolarHBondContact OH-N 3.46Å; Y12-A156 HydrophobicContact CE2-CB 3.93Å; Y12-A156 WeakPolarHBondContact OH-CB 3.4Å; Y12-I182 HydrophobicContact CD2-CD1 3.59Å; Y12-I182 HydrophobicContact CD2-CG1 3.91Å; Y12-I182 HydrophobicContact CE2-CD1 4.34Å; Y12-I182 HydrophobicContact CG-CD1 3.84Å; Y12-I182 HydrophobicContact CG-CG1 4.23Å; Y12-I183 CarbonylContact C-O 3.58Å; Y12-I183 WeakPolarHBondContact CA-O 3.48Å; Y12-I183 WeakPolarHBondContact CB-O 3.39Å
13V98.8Very high98.3Very high0 Ų019.2 Ų19.20%012%0.121CC..EExtended strand (participates in β ladder)trans-123.5120.9164.1-167.60000108.6Q8 V15 A105 P113 L115 I182 I183Q8-V13 HydrophobicContact CG-CG2 4.17Å; V13-V15 HydrophobicContact CG1-CG1 4.08Å; V13-A105 HydrophobicContact CB-CB 4.13Å; V13-A105 HydrophobicContact CG1-CB 3.63Å; V13-P113 HydrophobicContact CG2-CB 3.55Å; V13-L115 HydrophobicContact CG1-CB 4.14Å; V13-L115 HydrophobicContact CG1-CD1 4.25Å; V13-I182 WeakPolarHBondContact O-CA 3.42Å; V13-I183 PolarHBondContact N-O 3.17Å; V13-I183 PolarHBondContact O-N 3.06Å
14L98.8Very high98.2Very high2 Ų226.4 Ų26.41%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-92.1131171.4178.669.1000108.5G6 I7 Y12 A156 V157 L160 V180 I182 L191G6-L14 CarbonylContact C-O 3.52Å; G6-L14 WeakPolarHBondContact CA-O 3.22Å; I7-L14 HydrophobicContact CB-CB 4.49Å; I7-L14 PolarHBondContact N-O 3.34Å; I7-L14 PolarHBondContact O-N 3.35Å; Y12-L14 HydrophobicContact CD2-CB 4.28Å; Y12-L14 HydrophobicContact CE2-CB 4.13Å; L14-A156 HydrophobicContact CD2-CB 3.93Å; L14-V157 HydrophobicContact CD1-CG2 4.16Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; L14-L160 HydrophobicContact CD2-CB 4.1Å; L14-L160 HydrophobicContact CD2-CD2 4.01Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; L14-V180 HydrophobicContact CD1-CG1 3.64Å; L14-I182 HydrophobicContact CD1-CB 4.42Å; L14-L191 HydrophobicContact CD1-CD1 3.97Å
15V98.9Very high98Very high1 Ų133.9 Ų33.91%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-131.2147.2176.9-650000110.9I5 V13 M35 L43 L45 A105 V180 R181I5-V15 CarbonylContact O-C 3.48Å; I5-V15 WeakPolarHBondContact O-CA 3.31Å; V13-V15 HydrophobicContact CG1-CG1 4.08Å; V15-M35 HydrophobicContact CG2-CE 4.22Å; V15-M35 HydrophobicContact CG2-SD 3.8Å; V15-L43 HydrophobicContact CG2-CD1 4.01Å; V15-L45 HydrophobicContact CB-CD1 4.01Å; V15-L45 HydrophobicContact CB-CD2 3.93Å; V15-L45 HydrophobicContact CG1-CD1 3.95Å; V15-L45 HydrophobicContact CG2-CD1 4.13Å; V15-L45 HydrophobicContact CG2-CD2 4.35Å; V15-A105 HydrophobicContact CG1-CB 3.48Å; V15-A105 VanDerWaalsContact CG1-CB 3.48Å; V15-V180 WeakPolarHBondContact O-CA 3.37Å; V15-R181 HydrophobicContact CG2-CB 4Å; V15-R181 PolarHBondContact N-O 3.44Å; V15-R181 PolarHBondContact O-N 2.85Å
16A98.8Very high97.8Very high0 Ų037.9 Ų37.90%022%0.222CC..EExtended strand (participates in β ladder)trans-140.6151.917100000112.3I5 L160 S179 V180I5-A16 HydrophobicContact CG2-CB 3.68Å; I5-A16 PolarHBondContact N-O 2.79Å; I5-A16 PolarHBondContact O-N 2.91Å; A16-L160 HydrophobicContact CB-CD1 3.87Å; A16-L160 HydrophobicContact CB-CD2 3.82Å; A16-L160 HydrophobicContact CB-CG 4.48Å; A16-S179 CarbonylContact C-O 3.57Å; A16-S179 WeakPolarHBondContact CA-O 3.42Å; A16-S179 WeakPolarHBondContact CB-O 3.44Å; A16-V180 HydrophobicContact CB-CG2 4.1Å
17S98.7Very high97.7Very high0 Ų041.4 Ų41.40%024%0.239CC..EExtended strand (participates in β ladder)trans-139.3142.5175.460.40000110.3Y3 M35 F178 S179Y3-S17 WeakPolarHBondContact O-CA 3.45Å; S17-M35 VanDerWaalsContact OG-CE 3.3Å; S17-M35 WeakPolarHBondContact OG-CE 3.28Å; S17-F178 CarbonylContact O-C 3.56Å; S17-F178 VanDerWaalsContact O-CA 3.28Å; S17-F178 WeakPolarHBondContact O-CA 3.34Å; S17-S179 PolarHBondContact N-O 3.21Å; S17-S179 PolarHBondContact O-N 3.14Å
18D98.4Very high97.6Very high0 Ų048.2 Ų48.20%027%0.272CS..EExtended strand (participates in β ladder)trans-62.8153.2171.983.9-80.3000111.1E2 Y3 V20 K34 L175 F178E2-D18 WeakPolarHBondContact CA-OD1 3.34Å; Y3-D18 PolarHBondContact N-OD1 2.78Å; Y3-D18 PolarHBondContact O-N 3.24Å; D18-V20 WeakPolarHBondContact OD2-CB 3.42Å; D18-V20 PolarHBondContact OD2-N 3.24Å; D18-K34 PolarHBondContact O-NZ 3.33Å; D18-K34 WeakPolarHBondContact OD1-CE 3.49Å; D18-K34 IonicContact OD1-NZ 2.76Å; D18-K34 PolarHBondContact OD1-NZ 3.27Å; D18-K34 IonicContact OD2-NZ 3.46Å; D18-K34 PolarHBondContact OD2-NZ 3.05Å; D18-L175 HydrophobicContact CB-CB 4.46Å; D18-L175 HydrophobicContact CB-CD1 4.06Å; D18-L175 HydrophobicContact CB-CD2 4.02Å; D18-L175 HydrophobicContact CB-CG 4.42Å; D18-F178 VanDerWaalsContact CA-CD1 3.46Å; D18-F178 HydrophobicContact CB-CD1 3.83Å; D18-F178 HydrophobicContact CB-CE1 3.64Å
19R98.3Very high97.5Very high50 Ų5050.6 Ų50.619%0.18928%0.282CS..  trans-102.113.6-177-57.7-175.769.1-168.21.2115D30 D31 H32 T177 S179 N193R19-D30 WeakPolarHBondContact CB-O 3.34Å; R19-D30 CarbonylContact O-C 3.53Å; R19-D30 WeakPolarHBondContact O-CA 3.45Å; R19-D31 VanDerWaalsContact NH2-CA 3.32Å; R19-D31 PolarHBondContact NH2-O 3.15Å; R19-D31 PolarHBondContact O-N 3.48Å; R19-H32 WeakPolarHBondContact CA-O 3.4Å; R19-H32 VanDerWaalsContact O-CB 3.31Å; R19-H32 WeakPolarHBondContact O-CB 3.33Å; R19-H32 PolarHBondContact O-N 2.76Å; R19-T177 PolarHBondContact N-O 3.45Å; R19-S179 WeakPolarHBondContact CD-OG 3.41Å; R19-S179 WeakPolarHBondContact CG-OG 3.38Å; R19-S179 PolarHBondContact NE-OG 3.42Å; R19-N193 PolarHBondContact NH1-ND2 3.04Å
20V97.5Very high97.4Very high12 Ų1254 Ų547%0.07330%0.3CS..  trans-90.7131.3-176.6178.60000110.4D18 A22 Q27 K29 K34 L175D18-V20 WeakPolarHBondContact OD2-CB 3.42Å; D18-V20 PolarHBondContact OD2-N 3.24Å; V20-A22 HydrophobicContact CG1-CB 4.2Å; V20-Q27 HydrophobicContact CG1-CB 3.99Å; V20-K29 WeakPolarHBondContact CA-O 3.34Å; V20-K34 PolarHBondContact O-NZ 2.85Å; V20-L175 HydrophobicContact CB-CD2 3.95Å; V20-L175 HydrophobicContact CG2-CD2 3.81Å
21A97.5Very high97.3Very high30 Ų3053.8 Ų53.825%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-110.1110.4158.400000108.2M28 K29 H32A21-M28 PolarHBondContact O-N 2.97Å; A21-K29 HydrophobicContact CB-CB 3.92Å; A21-K29 PolarHBondContact N-O 3.21Å; A21-K29 PolarHBondContact O-N 2.95Å; A21-H32 HydrophobicContact CB-CB 4.17Å
22A96.8Very high97.3Very high70 Ų7053 Ų5358%0.57929%0.289SS*.EExtended strand (participates in β ladder)trans-100.8142.9-177.200000111.4V20 V26V20-A22 HydrophobicContact CG1-CB 4.2Å; A22-V26 WeakPolarHBondContact CA-O 3.21Å
23S96.9Very high97.3Very high61 Ų6155.7 Ų55.743%0.42730%0.304SS..EExtended strand (participates in β ladder)trans-134.9121.8169.8-177.90000108.8I25 V26 M28S23-I25 PolarHBondContact O-N 3.17Å; S23-V26 PolarHBondContact N-O 3.45Å; S23-V26 WeakPolarHBondContact O-CG2 3.38Å; S23-V26 PolarHBondContact O-N 2.64Å; S23-V26 VanDerWaalsContact O-N 3.16Å; S23-V26 VanDerWaalsContact O-O 3.13Å; S23-M28 WeakPolarHBondContact CB-SD 3.39Å
24N95.7Very high97.3Very high151 Ų15155.8 Ų55.881%0.80730%0.304SS*.THydrogen-bonded Turntrans52.7-124.3-172.4-167.7-98.1000111
25I94.2Very high97.3Very high158 Ų15856.3 Ų56.381%0.8131%0.307SS*.THydrogen-bonded Turntrans-88.7-2.2-178.264.3177.5000114.6S23S23-I25 PolarHBondContact O-N 3.17Å
26V95.5Very high97.3Very high85 Ų8557.7 Ų57.752%0.51531%0.313SS..EExtended strand (participates in β ladder)trans-116.8148.1-174.4-62.10000112.5A22 S23 M28A22-V26 WeakPolarHBondContact CA-O 3.21Å; S23-V26 PolarHBondContact N-O 3.45Å; S23-V26 WeakPolarHBondContact O-CG2 3.38Å; S23-V26 PolarHBondContact O-N 2.64Å; S23-V26 VanDerWaalsContact O-N 3.16Å; S23-V26 VanDerWaalsContact O-O 3.13Å; V26-M28 HydrophobicContact CG2-CG 4.47Å
27Q95.8Very high97.2Very high73 Ų7362 Ų6234%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-79.6123162.154.6160.435.800109.4V20V20-Q27 HydrophobicContact CG1-CB 3.99Å
28M97.4Very high97.2Very high144 Ų14462 Ų6271%0.70933%0.331SS*.EExtended strand (participates in β ladder)trans-89.3-24.2176.7-64.3-167.174.100112.6A21 S23 V26A21-M28 PolarHBondContact O-N 2.97Å; S23-M28 WeakPolarHBondContact CB-SD 3.39Å; V26-M28 HydrophobicContact CG2-CG 4.47Å
29K97.1Very high97.1Very high84 Ų8462.1 Ų62.137%0.36533%0.332SS..EExtended strand (participates in β ladder)trans-147137.4178.8-167.417417362.70109.5V20 A21 D31 H32V20-K29 WeakPolarHBondContact CA-O 3.34Å; A21-K29 HydrophobicContact CB-CB 3.92Å; A21-K29 PolarHBondContact N-O 3.21Å; A21-K29 PolarHBondContact O-N 2.95Å; K29-D31 WeakPolarHBondContact CE-OD1 2.81Å; K29-D31 WeakPolarHBondContact CG-OD1 3.29Å; K29-D31 IonicContact NZ-OD1 3.01Å; K29-D31 PolarHBondContact NZ-OD1 3.46Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 2.89Å; K29-H32 HydrophobicContact CD-CB 4.05Å; K29-H32 HydrophobicContact CG-CB 4.25Å
30D95.8Very high97Very high71 Ų7164 Ų6438%0.3834%0.343SS..SBendtrans-115.24.1179.662.2-1000113.7R19 T177R19-D30 WeakPolarHBondContact CB-O 3.34Å; R19-D30 CarbonylContact O-C 3.53Å; R19-D30 WeakPolarHBondContact O-CA 3.45Å; D30-T177 PolarHBondContact O-OG1 3.06Å
31D97Very high97.1Very high69 Ų6965.1 Ų65.137%0.36935%0.347SS..SBendtrans-124.521.2179.567.8-39.7000112.2R19 K29R19-D31 VanDerWaalsContact NH2-CA 3.32Å; R19-D31 PolarHBondContact NH2-O 3.15Å; R19-D31 PolarHBondContact O-N 3.48Å; K29-D31 WeakPolarHBondContact CE-OD1 2.81Å; K29-D31 WeakPolarHBondContact CG-OD1 3.29Å; K29-D31 IonicContact NZ-OD1 3.01Å; K29-D31 PolarHBondContact NZ-OD1 3.46Å; K29-D31 IonicContact NZ-OD2 2.63Å; K29-D31 PolarHBondContact NZ-OD2 2.89Å
32H97.5Very high97.1Very high51 Ų5163.7 Ų63.724%0.23634%0.335CS..  trans-67.3135.5-179.2-171.1-112.8000112R19 A21 K29R19-H32 WeakPolarHBondContact CA-O 3.4Å; R19-H32 VanDerWaalsContact O-CB 3.31Å; R19-H32 WeakPolarHBondContact O-CB 3.33Å; R19-H32 PolarHBondContact O-N 2.76Å; A21-H32 HydrophobicContact CB-CB 4.17Å; K29-H32 HydrophobicContact CD-CB 4.05Å; K29-H32 HydrophobicContact CG-CB 4.25Å
33D98.1Very high97.2Very high58 Ų5860.6 Ų60.631%0.3131%0.309SS..  trans-108.3128.9177.3-162.3-23.8000110M35 R181D33-M35 PolarHBondContact OD1-N 3.48Å; D33-R181 IonicContact OD1-CZ 3.71Å; D33-R181 IonicContact OD1-NH1 3.4Å; D33-R181 PolarHBondContact OD1-NH1 2.62Å; D33-R181 IonicContact OD1-NH2 2.73Å; D33-R181 IonicContact OD2-CZ 3.76Å; D33-R181 VanDerWaalsContact OD2-CZ 3.27Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.26Å; D33-R181 IonicContact OD2-NH2 2.9Å; D33-R181 PolarHBondContact OD2-NH2 3.32Å
34K98.5Very high97.3Very high1 Ų157.7 Ų57.70%0.00429%0.288CS..  trans-107.47.8-175.7-58.9-178169.289.80112.6E2 L4 D18 V20 L45 C46 V47E2-K34 HydrophobicContact CB-CD 4.22Å; E2-K34 HydrophobicContact CG-CD 4.41Å; E2-K34 VanDerWaalsContact CG-CE 3.49Å; E2-K34 WeakPolarHBondContact OE1-CE 3.35Å; L4-K34 HydrophobicContact CD2-CB 4.33Å; L4-K34 HydrophobicContact CD2-CD 4.47Å; D18-K34 PolarHBondContact O-NZ 3.33Å; D18-K34 WeakPolarHBondContact OD1-CE 3.49Å; D18-K34 IonicContact OD1-NZ 2.76Å; D18-K34 PolarHBondContact OD1-NZ 3.27Å; D18-K34 IonicContact OD2-NZ 3.46Å; D18-K34 PolarHBondContact OD2-NZ 3.05Å; V20-K34 PolarHBondContact O-NZ 2.85Å; K34-L45 WeakPolarHBondContact O-CA 3.36Å; K34-C46 PolarHBondContact O-N 2.85Å; K34-V47 HydrophobicContact CD-CG1 3.82Å
35M98.6Very high97.4Very high14 Ų1450.5 Ų50.57%0.06925%0.25CS..EExtended strand (participates in β ladder)trans-109.2137.6-179.7-32.1-172.1-176.500111.2V15 S17 D33 L43 L44 L45 S179 R181V15-M35 HydrophobicContact CG2-CE 4.22Å; V15-M35 HydrophobicContact CG2-SD 3.8Å; S17-M35 VanDerWaalsContact OG-CE 3.3Å; S17-M35 WeakPolarHBondContact OG-CE 3.28Å; D33-M35 PolarHBondContact OD1-N 3.48Å; M35-L43 HydrophobicContact SD-CD1 4.36Å; M35-L44 CarbonylContact C-O 3.55Å; M35-L44 WeakPolarHBondContact CA-O 3.42Å; M35-L45 HydrophobicContact CB-CG 4.17Å; M35-L45 HydrophobicContact CE-CD2 3.89Å; M35-L45 HydrophobicContact CG-CD2 3.93Å; M35-L45 HydrophobicContact CG-CG 3.8Å; M35-L45 HydrophobicContact SD-CD2 3.96Å; M35-L45 HydrophobicContact SD-CG 4.18Å; M35-S179 VanDerWaalsContact CE-O 3.3Å; M35-S179 WeakPolarHBondContact CE-O 3.4Å; M35-R181 VanDerWaalsContact CB-NH1 3.28Å; M35-R181 HydrophobicContact SD-CB 4.25Å; M35-R181 HydrophobicContact SD-CG 3.95Å; M35-R181 PolarHBondContact SD-NH1 3.5Å
36F98.6Very high97.6Very high30 Ų3043.1 Ų43.113%0.13221%0.212CC..EExtended strand (participates in β ladder)trans-121.2120.8-176.6-61.8-100.1000108.7M38 L44 C46 V54 A57 E58F36-M38 HydrophobicContact CB-CE 3.3Å; F36-M38 HydrophobicContact CG-CE 4.36Å; F36-M38 PolarHBondContact O-N 2.91Å; F36-L44 PolarHBondContact N-O 2.94Å; F36-L44 PolarHBondContact O-N 2.75Å; F36-C46 HydrophobicContact CD2-CB 4.27Å; F36-C46 HydrophobicContact CE2-CB 3.98Å; F36-V54 HydrophobicContact CZ-CG2 4.49Å; F36-A57 HydrophobicContact CB-CB 4.43Å; F36-A57 HydrophobicContact CD1-CB 3.81Å; F36-A57 HydrophobicContact CD2-CB 3.52Å; F36-A57 HydrophobicContact CE1-CB 3.85Å; F36-A57 HydrophobicContact CE2-CB 3.57Å; F36-A57 HydrophobicContact CG-CB 3.66Å; F36-A57 HydrophobicContact CZ-CB 3.73Å; F36-E58 HydrophobicContact CD1-CG 4.38Å; F36-E58 HydrophobicContact CE1-CG 4.12Å
37K98.4Very high97.8Very high90 Ų9039.3 Ų39.339%0.39119%0.189SC..EExtended strand (participates in β ladder)trans-70.7110.9175.3-177.5177.4179.4-1770110.4S39 E40 L43 Q61 I188K37-S39 WeakPolarHBondContact CE-O 3.38Å; K37-S39 VanDerWaalsContact CG-O 3.23Å; K37-S39 WeakPolarHBondContact CG-O 3.38Å; K37-E40 WeakPolarHBondContact CE-OE2 3.41Å; K37-E40 IonicContact NZ-OE1 3.72Å; K37-E40 PolarHBondContact NZ-OE1 3.36Å; K37-E40 IonicContact NZ-OE2 2.95Å; K37-E40 PolarHBondContact NZ-OE2 3.45Å; K37-L43 HydrophobicContact CB-CD2 4.21Å; K37-Q61 VanDerWaalsContact O-CG 3.31Å; K37-Q61 WeakPolarHBondContact O-CG 3.44Å; K37-Q61 PolarHBondContact O-NE2 2.86Å; K37-I188 HydrophobicContact CD-CD1 4.13Å; K37-I188 HydrophobicContact CG-CD1 3.77Å
38M97.8Very high97.9Very high1 Ų137.3 Ų37.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-86.7-41.2-179.9-63.5-64135.800111.7F36 I42 L44 A57 I60 Q61 V64 Q65F36-M38 HydrophobicContact CB-CE 3.3Å; F36-M38 HydrophobicContact CG-CE 4.36Å; F36-M38 PolarHBondContact O-N 2.91Å; M38-I42 HydrophobicContact CB-CB 3.97Å; M38-I42 HydrophobicContact CB-CG2 3.71Å; M38-I42 HydrophobicContact CG-CG2 4.1Å; M38-I42 PolarHBondContact N-O 2.73Å; M38-L44 HydrophobicContact CE-CB 3.47Å; M38-L44 VanDerWaalsContact CE-CB 3.47Å; M38-L44 HydrophobicContact CE-CD2 3.72Å; M38-L44 HydrophobicContact CE-CG 4.23Å; M38-L44 HydrophobicContact CG-CB 3.8Å; M38-L44 HydrophobicContact SD-CB 4.21Å; M38-L44 HydrophobicContact SD-CD2 4.48Å; M38-A57 WeakPolarHBondContact CE-O 3.22Å; M38-I60 HydrophobicContact SD-CB 4.5Å; M38-I60 HydrophobicContact SD-CG2 3.92Å; M38-Q61 HydrophobicContact CE-CB 3.81Å; M38-Q61 HydrophobicContact CE-CG 4.23Å; M38-Q61 WeakPolarHBondContact SD-CA 3.32Å; M38-Q61 HydrophobicContact SD-CB 3.87Å; M38-Q61 HydrophobicContact SD-CG 4.24Å; M38-V64 HydrophobicContact CB-CG1 4.3Å; M38-V64 WeakPolarHBondContact O-CG1 3.37Å; M38-Q65 PolarHBondContact O-NE2 2.95Å
39S96.4Very high97.8Very high2 Ų235.7 Ų35.71%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-148.7-173.5175.188.30000110K37 K41 I42 E74K37-S39 WeakPolarHBondContact CE-O 3.38Å; K37-S39 VanDerWaalsContact CG-O 3.23Å; K37-S39 WeakPolarHBondContact CG-O 3.38Å; S39-K41 PolarHBondContact O-N 3.01Å; S39-K41 PolarHBondContact OG-N 2.83Å; S39-I42 PolarHBondContact N-O 2.95Å; S39-I42 WeakPolarHBondContact OG-CG1 3.31Å; S39-I42 PolarHBondContact OG-N 3.05Å; S39-E74 VanDerWaalsContact CB-OE2 3.26Å; S39-E74 WeakPolarHBondContact CB-OE2 3.43Å; S39-E74 PolarHBondContact OG-OE2 3.42Å
40E96.9Very high97.7Very high88 Ų8836.1 Ų36.141%0.41120%0.198SC..THydrogen-bonded Turntrans-61.7-25.8177.1-63.5-44.1125.400113.4K37 K68 E74 G187 I188K37-E40 WeakPolarHBondContact CE-OE2 3.41Å; K37-E40 IonicContact NZ-OE1 3.72Å; K37-E40 PolarHBondContact NZ-OE1 3.36Å; K37-E40 IonicContact NZ-OE2 2.95Å; K37-E40 PolarHBondContact NZ-OE2 3.45Å; E40-K68 IonicContact OE1-NZ 2.73Å; E40-E74 WeakPolarHBondContact CG-OE1 3.49Å; E40-E74 PolarHBondContact N-OE1 3.31Å; E40-E74 VanDerWaalsContact N-OE1 3.17Å; E40-E74 PolarHBondContact N-OE2 3.39Å; E40-G187 WeakPolarHBondContact O-CA 3.5Å; E40-I188 PolarHBondContact O-N 3.38Å
41K98Very high97.7Very high36 Ų3634.8 Ų34.816%0.15720%0.201CC..THydrogen-bonded Turntrans-12516.4-174.7-59.6177-177.3179.10113.5S39 G106 Y107 E109 I183 K185S39-K41 PolarHBondContact O-N 3.01Å; S39-K41 PolarHBondContact OG-N 2.83Å; K41-G106 CarbonylContact O-C 3.49Å; K41-G106 WeakPolarHBondContact O-CA 3.25Å; K41-Y107 WeakPolarHBondContact CB-O 3.28Å; K41-Y107 PolarHBondContact O-N 3.26Å; K41-E109 VanDerWaalsContact NZ-CG 3.29Å; K41-E109 IonicContact NZ-OE1 2.74Å; K41-E109 PolarHBondContact NZ-OE1 3.2Å; K41-I183 WeakPolarHBondContact O-CG2 3.38Å; K41-K185 VanDerWaalsContact CE-O 3.29Å; K41-K185 WeakPolarHBondContact CE-O 3.16Å; K41-K185 PolarHBondContact NZ-O 2.86Å
42I98.6Very high97.8Very high1 Ų133.1 Ų33.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-133.9126-179.3-57.3173.3000110.8M38 S39 L75 P77 A80 L104 A105M38-I42 HydrophobicContact CB-CB 3.97Å; M38-I42 HydrophobicContact CB-CG2 3.71Å; M38-I42 HydrophobicContact CG-CG2 4.1Å; M38-I42 PolarHBondContact N-O 2.73Å; S39-I42 PolarHBondContact N-O 2.95Å; S39-I42 WeakPolarHBondContact OG-CG1 3.31Å; S39-I42 PolarHBondContact OG-N 3.05Å; I42-L75 WeakPolarHBondContact CD1-O 3.41Å; I42-P77 HydrophobicContact CD1-CG 4.4Å; I42-P77 HydrophobicContact CG1-CB 4.47Å; I42-P77 HydrophobicContact CG1-CG 4.17Å; I42-A80 HydrophobicContact CD1-CB 3.87Å; I42-L104 HydrophobicContact CG2-CD1 4.16Å; I42-L104 HydrophobicContact CG2-CD2 3.89Å; I42-L104 HydrophobicContact CG2-CG 3.95Å; I42-A105 WeakPolarHBondContact CA-O 3.42Å
43L98.7Very high97.7Very high4 Ų431.4 Ų31.42%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-113.6137167.4-70176.4000110.5V15 M35 K37 L45 A105 R181 I183 I188V15-L43 HydrophobicContact CG2-CD1 4.01Å; M35-L43 HydrophobicContact SD-CD1 4.36Å; K37-L43 HydrophobicContact CB-CD2 4.21Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L43-A105 PolarHBondContact N-O 2.83Å; L43-A105 PolarHBondContact O-N 2.76Å; L43-A105 VanDerWaalsContact O-O 3.13Å; L43-R181 HydrophobicContact CD1-CB 3.88Å; L43-R181 HydrophobicContact CD1-CG 4.38Å; L43-I183 HydrophobicContact CB-CD1 3.75Å; L43-I183 HydrophobicContact CD1-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CG1 3.93Å; L43-I183 HydrophobicContact CG-CD1 3.75Å; L43-I183 HydrophobicContact CG-CG1 4.27Å; L43-I188 HydrophobicContact CD1-CG1 4.36Å; L43-I188 HydrophobicContact CD1-CG2 3.8Å; L43-I188 HydrophobicContact CD2-CD1 3.65Å; L43-I188 HydrophobicContact CD2-CG1 4.3Å; L43-I188 HydrophobicContact CD2-CG2 4.16Å; L43-I188 HydrophobicContact CG-CD1 3.74Å; L43-I188 HydrophobicContact CG-CG1 3.96Å; L43-I188 HydrophobicContact CG-CG2 4.14Å
44L98.8Very high97.7Very high1 Ų131.3 Ų31.31%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-107.4127.1166.1-174.971.8000108.8M35 F36 M38 A57 L102 L104M35-L44 CarbonylContact C-O 3.55Å; M35-L44 WeakPolarHBondContact CA-O 3.42Å; F36-L44 PolarHBondContact N-O 2.94Å; F36-L44 PolarHBondContact O-N 2.75Å; M38-L44 HydrophobicContact CE-CB 3.47Å; M38-L44 VanDerWaalsContact CE-CB 3.47Å; M38-L44 HydrophobicContact CE-CD2 3.72Å; M38-L44 HydrophobicContact CE-CG 4.23Å; M38-L44 HydrophobicContact CG-CB 3.8Å; M38-L44 HydrophobicContact SD-CB 4.21Å; M38-L44 HydrophobicContact SD-CD2 4.48Å; L44-A57 HydrophobicContact CD2-CB 4.16Å; L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD1 4.41Å; L44-L102 HydrophobicContact CD1-CD2 4.44Å; L44-L102 HydrophobicContact CD2-CD2 4.46Å; L44-L104 HydrophobicContact CD1-CB 4.03Å; L44-L104 HydrophobicContact CD1-CD1 4.3Å; L44-L104 HydrophobicContact CD1-CG 4.47Å
45L98.7Very high97.7Very high0 Ų037.1 Ų37.10%021%0.214CC..EExtended strand (participates in β ladder)trans-103.1129171.1-62.684.1000107.9L4 V15 K34 M35 L43 L102 L103L4-L45 HydrophobicContact CD1-CB 3.69Å; L4-L45 HydrophobicContact CD2-CB 3.95Å; L4-L45 HydrophobicContact CD2-CD2 4.1Å; L4-L45 HydrophobicContact CG-CB 4.34Å; V15-L45 HydrophobicContact CB-CD1 4.01Å; V15-L45 HydrophobicContact CB-CD2 3.93Å; V15-L45 HydrophobicContact CG1-CD1 3.95Å; V15-L45 HydrophobicContact CG2-CD1 4.13Å; V15-L45 HydrophobicContact CG2-CD2 4.35Å; K34-L45 WeakPolarHBondContact O-CA 3.36Å; M35-L45 HydrophobicContact CB-CG 4.17Å; M35-L45 HydrophobicContact CE-CD2 3.89Å; M35-L45 HydrophobicContact CG-CD2 3.93Å; M35-L45 HydrophobicContact CG-CG 3.8Å; M35-L45 HydrophobicContact SD-CD2 3.96Å; M35-L45 HydrophobicContact SD-CG 4.18Å; L43-L45 HydrophobicContact CB-CD1 4.45Å; L45-L102 VanDerWaalsContact O-CA 3.25Å; L45-L102 WeakPolarHBondContact O-CA 3.34Å; L45-L103 HydrophobicContact CB-CB 4.25Å; L45-L103 HydrophobicContact CD1-CB 4.34Å; L45-L103 PolarHBondContact N-O 3.03Å; L45-L103 PolarHBondContact O-N 3.28Å
46C98.6Very high97.7Very high2 Ų236.5 Ų36.51%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-131127.8-171.2-171.70000111K34 F36 T53 A57 L102K34-C46 PolarHBondContact O-N 2.85Å; F36-C46 HydrophobicContact CD2-CB 4.27Å; F36-C46 HydrophobicContact CE2-CB 3.98Å; C46-T53 PolarHBondContact SG-O 3.08Å; C46-A57 HydrophobicContact CB-CB 4.03Å; C46-L102 HydrophobicContact CB-CD2 3.75Å; C46-L102 WeakPolarHBondContact SG-CD2 3.42Å
47V98.4Very high97.7Very high6 Ų635 Ų354%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-137.6157.8176-69.90000110.4E2 L4 K34 V100 N101 H132E2-V47 HydrophobicContact CB-CB 3.84Å; E2-V47 HydrophobicContact CB-CG1 3.37Å; E2-V47 HydrophobicContact CG-CB 4.46Å; E2-V47 HydrophobicContact CG-CG1 4.16Å; E2-V47 WeakPolarHBondContact OE2-CA 3.28Å; E2-V47 VanDerWaalsContact OE2-CB 3.29Å; E2-V47 WeakPolarHBondContact OE2-CB 3.44Å; L4-V47 HydrophobicContact CD1-CB 4.26Å; L4-V47 HydrophobicContact CD1-CG1 3.79Å; L4-V47 HydrophobicContact CD1-CG2 3.63Å; L4-V47 HydrophobicContact CD2-CG1 3.6Å; L4-V47 HydrophobicContact CG-CB 4.37Å; L4-V47 HydrophobicContact CG-CG1 3.53Å; L4-V47 HydrophobicContact CG-CG2 3.94Å; K34-V47 HydrophobicContact CD-CG1 3.82Å; V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.34Å; V47-N101 HydrophobicContact CG2-CB 4.09Å; V47-N101 PolarHBondContact N-O 3.48Å; V47-N101 PolarHBondContact O-N 2.82Å; V47-H132 HydrophobicContact CG2-CB 4.07Å
48G97.6Very high97.7Very high31 Ų3135 Ų3532%0.3221%0.205SC..EExtended strand (participates in β ladder)trans143-143.1-177.900000113.7E2 T53 H99E2-G48 PolarHBondContact OE2-N 3.16Å; G48-T53 VanDerWaalsContact N-CG2 3.26Å; G48-H99 WeakPolarHBondContact CA-O 3.46Å
49E96.4Very high97.7Very high110 Ų11040 Ų4051%0.51423%0.225SC..SBendtrans-69.3138.5-178-174.5165.416500112.2G51 D52 T53 H99E49-G51 PolarHBondContact O-N 3.17Å; E49-D52 HydrophobicContact CB-CB 4.27Å; E49-D52 PolarHBondContact O-N 3.18Å; E49-T53 WeakPolarHBondContact O-CG2 3.26Å; E49-T53 PolarHBondContact O-N 3.39Å; E49-T53 PolarHBondContact O-OG1 3.25Å; E49-H99 HydrophobicContact CB-CB 3.88Å; E49-H99 PolarHBondContact N-O 3.32Å
50A95Very high97.8Very high93 Ų9340 Ų4077%0.76923%0.225SC*.THydrogen-bonded Turntrans-63133.717900000110.8D52A50-D52 VanDerWaalsContact C-N 3.33Å; A50-D52 PolarHBondContact O-N 3.15Å
51G96.1Very high97.9Very high43 Ų4337.5 Ų37.544%0.44321%0.213SC..THydrogen-bonded Turntrans93.3-59.4-172.700000111.3E49 T53 V54 Q55E49-G51 PolarHBondContact O-N 3.17Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 2.88Å; G51-V54 PolarHBondContact O-N 2.94Å; G51-Q55 WeakPolarHBondContact O-CB 3.38Å; G51-Q55 WeakPolarHBondContact O-CG 3.36Å; G51-Q55 PolarHBondContact O-N 3.19Å
52D97.4Very high97.9Very high34 Ų3441.6 Ų41.618%0.18223%0.231CC..Hα-helixtrans-55.6-43.9-179.8-77.29.7000112.7E49 A50 V54 Q55 F56 Y98 H99 V100E49-D52 HydrophobicContact CB-CB 4.27Å; E49-D52 PolarHBondContact O-N 3.18Å; A50-D52 VanDerWaalsContact C-N 3.33Å; A50-D52 PolarHBondContact O-N 3.15Å; D52-V54 PolarHBondContact O-N 2.93Å; D52-Q55 PolarHBondContact O-N 2.98Å; D52-F56 WeakPolarHBondContact O-CB 3.16Å; D52-F56 PolarHBondContact O-N 3.22Å; D52-Y98 HydrophobicContact CB-CD1 4.05Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.3Å; D52-H99 PolarHBondContact OD2-N 3.24Å; D52-V100 HydrophobicContact CB-CG1 3.93Å
53T96.9Very high97.9Very high15 Ų1543.8 Ų43.89%0.09224%0.243CC..Hα-helixtrans-55.1-54.3-178.246.40000112.9C46 G48 E49 G51 A57 V100C46-T53 PolarHBondContact SG-O 3.08Å; G48-T53 VanDerWaalsContact N-CG2 3.26Å; E49-T53 WeakPolarHBondContact O-CG2 3.26Å; E49-T53 PolarHBondContact O-N 3.39Å; E49-T53 PolarHBondContact O-OG1 3.25Å; G51-T53 VanDerWaalsContact C-N 3.3Å; G51-T53 PolarHBondContact O-N 2.88Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 3.22Å; T53-V100 HydrophobicContact CG2-CG1 4.08Å
54V97.9Very high97.8Very high55 Ų5543.8 Ų43.833%0.33324%0.243SC..Hα-helixtrans-70.6-46.2-178.1-179.30000110.4F36 G51 D52 F56 A57 E58F36-V54 HydrophobicContact CZ-CG2 4.49Å; G51-V54 PolarHBondContact O-N 2.94Å; D52-V54 PolarHBondContact O-N 2.93Å; V54-F56 PolarHBondContact O-N 3.19Å; V54-A57 PolarHBondContact O-N 3.23Å; V54-E58 HydrophobicContact CG1-CG 4.15Å; V54-E58 WeakPolarHBondContact O-CB 3.34Å; V54-E58 WeakPolarHBondContact O-CG 3.11Å; V54-E58 PolarHBondContact O-N 3.19Å
55Q98Very high97.8Very high123 Ų12346.2 Ų46.258%0.57525%0.254SS*.Hα-helixtrans-59.2-47.5-179.2-70.7-69.5-1500111.5G51 D52 Y59 Y98G51-Q55 WeakPolarHBondContact O-CB 3.38Å; G51-Q55 WeakPolarHBondContact O-CG 3.36Å; G51-Q55 PolarHBondContact O-N 3.19Å; D52-Q55 PolarHBondContact O-N 2.98Å; Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.39Å; Q55-Y98 HydrophobicContact CB-CE1 4.35Å
56F98.3Very high97.8Very high1 Ų149.6 Ų49.60%0.00427%0.272CS..Hα-helixtrans-66.1-48.4179-174-94.9000111.5D52 V54 E58 Y59 I60 T84 N87 L88 Y98 V100 L102D52-F56 WeakPolarHBondContact O-CB 3.16Å; D52-F56 PolarHBondContact O-N 3.22Å; V54-F56 PolarHBondContact O-N 3.19Å; F56-E58 PolarHBondContact O-N 3.21Å; F56-Y59 PolarHBondContact O-N 3.43Å; F56-I60 HydrophobicContact CD1-CG1 4.14Å; F56-I60 HydrophobicContact CE1-CD1 4.35Å; F56-I60 HydrophobicContact CE1-CG1 3.71Å; F56-I60 HydrophobicContact CE2-CD1 4.39Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.98Å; F56-I60 HydrophobicContact CZ-CG1 3.85Å; F56-I60 WeakPolarHBondContact O-CG1 3.47Å; F56-I60 PolarHBondContact O-N 2.9Å; F56-T84 HydrophobicContact CE1-CG2 3.78Å; F56-T84 HydrophobicContact CZ-CG2 4.05Å; F56-N87 HydrophobicContact CE2-CB 4.32Å; F56-L88 HydrophobicContact CD2-CD1 4.49Å; F56-L88 HydrophobicContact CE2-CB 4.14Å; F56-L88 HydrophobicContact CE2-CD1 4.02Å; F56-L88 HydrophobicContact CZ-CB 3.82Å; F56-L88 HydrophobicContact CZ-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CG 4.46Å; F56-Y98 HydrophobicContact CB-CD1 3.88Å; F56-Y98 HydrophobicContact CB-CE1 4.27Å; F56-Y98 HydrophobicContact CB-CG 4.19Å; F56-Y98 HydrophobicContact CD2-CD1 4.23Å; F56-Y98 AromaticContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CE2 4.17Å; F56-Y98 AromaticContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CE2-CD2 4.34Å; F56-Y98 HydrophobicContact CG-CD1 4.49Å; F56-Y98 HydrophobicContact CG-CG 4.33Å; F56-V100 HydrophobicContact CB-CG1 4.36Å; F56-V100 HydrophobicContact CB-CG2 4.45Å; F56-V100 HydrophobicContact CD1-CG2 3.83Å; F56-V100 HydrophobicContact CE1-CG2 4.26Å; F56-V100 HydrophobicContact CG-CG2 4.05Å; F56-L102 HydrophobicContact CD1-CD1 4.31Å; F56-L102 HydrophobicContact CD1-CD2 4.46Å; F56-L102 HydrophobicContact CE1-CD1 3.64Å
57A98.3Very high97.8Very high0 Ų053.2 Ų53.20%029%0.286CS..Hα-helixtrans-63.1-43.2-177.900000112.4F36 M38 L44 C46 T53 V54 I60 Q61F36-A57 HydrophobicContact CB-CB 4.43Å; F36-A57 HydrophobicContact CD1-CB 3.81Å; F36-A57 HydrophobicContact CD2-CB 3.52Å; F36-A57 HydrophobicContact CE1-CB 3.85Å; F36-A57 HydrophobicContact CE2-CB 3.57Å; F36-A57 HydrophobicContact CG-CB 3.66Å; F36-A57 HydrophobicContact CZ-CB 3.73Å; M38-A57 WeakPolarHBondContact CE-O 3.22Å; L44-A57 HydrophobicContact CD2-CB 4.16Å; C46-A57 HydrophobicContact CB-CB 4.03Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 3.22Å; V54-A57 PolarHBondContact O-N 3.23Å; A57-I60 PolarHBondContact O-N 3.37Å; A57-Q61 WeakPolarHBondContact O-CB 3.46Å; A57-Q61 PolarHBondContact O-N 3.04Å
58E98.5Very high97.7Very high88 Ų8855.4 Ų55.441%0.41130%0.295SS..Hα-helixtrans-67.4-40.1176.1-70.5-170.5171.400112.2F36 V54 F56 I60 Q61 K62F36-E58 HydrophobicContact CD1-CG 4.38Å; F36-E58 HydrophobicContact CE1-CG 4.12Å; V54-E58 HydrophobicContact CG1-CG 4.15Å; V54-E58 WeakPolarHBondContact O-CB 3.34Å; V54-E58 WeakPolarHBondContact O-CG 3.11Å; V54-E58 PolarHBondContact O-N 3.19Å; F56-E58 PolarHBondContact O-N 3.21Å; E58-I60 VanDerWaalsContact C-N 3.34Å; E58-I60 PolarHBondContact O-N 2.63Å; E58-Q61 VanDerWaalsContact O-CB 3.31Å; E58-Q61 WeakPolarHBondContact O-CB 3.36Å; E58-Q61 PolarHBondContact O-N 3.04Å; E58-Q61 VanDerWaalsContact O-N 3.16Å; E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.46Å
59Y98.4Very high97.7Very high108 Ų10860.8 Ų60.842%0.42431%0.313SS..Hα-helixtrans-57.7-46.8174.9172.2-94.5000111.6Q55 F56 K62 N63 N87Q55-Y59 WeakPolarHBondContact O-CB 3.36Å; Q55-Y59 PolarHBondContact O-N 3.39Å; F56-Y59 PolarHBondContact O-N 3.43Å; Y59-K62 PolarHBondContact O-N 3.12Å; Y59-N63 WeakPolarHBondContact CE2-ND2 3.38Å; Y59-N63 PolarHBondContact O-N 2.86Å; Y59-N63 PolarHBondContact O-ND2 3.47Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.43Å
60I98.4Very high97.8Very high1 Ų164.5 Ų64.51%0.00532%0.323CS..Hα-helixtrans-63.3-44.6175.2-63.1-60.1000110.4M38 F56 A57 E58 K62 N63 V64 F83 T84 N87M38-I60 HydrophobicContact SD-CB 4.5Å; M38-I60 HydrophobicContact SD-CG2 3.92Å; F56-I60 HydrophobicContact CD1-CG1 4.14Å; F56-I60 HydrophobicContact CE1-CD1 4.35Å; F56-I60 HydrophobicContact CE1-CG1 3.71Å; F56-I60 HydrophobicContact CE2-CD1 4.39Å; F56-I60 HydrophobicContact CE2-CG1 4.39Å; F56-I60 HydrophobicContact CZ-CD1 3.98Å; F56-I60 HydrophobicContact CZ-CG1 3.85Å; F56-I60 WeakPolarHBondContact O-CG1 3.47Å; F56-I60 PolarHBondContact O-N 2.9Å; A57-I60 PolarHBondContact O-N 3.37Å; E58-I60 VanDerWaalsContact C-N 3.34Å; E58-I60 PolarHBondContact O-N 2.63Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 3.37Å; I60-N63 PolarHBondContact O-N 3.48Å; I60-V64 HydrophobicContact CG2-CG2 4.24Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.42Å; I60-F83 HydrophobicContact CD1-CD1 4.26Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; I60-T84 HydrophobicContact CG1-CG2 4.32Å; I60-N87 HydrophobicContact CD1-CB 3.97Å
61Q98.2Very high97.9Very high35 Ų3563.5 Ų63.516%0.16430%0.304CS..Hα-helixtrans-53.2-49.7177.8-165.7-171.650.900112.2K37 M38 A57 E58 N63 V64 Q65K37-Q61 VanDerWaalsContact O-CG 3.31Å; K37-Q61 WeakPolarHBondContact O-CG 3.44Å; K37-Q61 PolarHBondContact O-NE2 2.86Å; M38-Q61 HydrophobicContact CE-CB 3.81Å; M38-Q61 HydrophobicContact CE-CG 4.23Å; M38-Q61 WeakPolarHBondContact SD-CA 3.32Å; M38-Q61 HydrophobicContact SD-CB 3.87Å; M38-Q61 HydrophobicContact SD-CG 4.24Å; A57-Q61 WeakPolarHBondContact O-CB 3.46Å; A57-Q61 PolarHBondContact O-N 3.04Å; E58-Q61 VanDerWaalsContact O-CB 3.31Å; E58-Q61 WeakPolarHBondContact O-CB 3.36Å; E58-Q61 PolarHBondContact O-N 3.04Å; E58-Q61 VanDerWaalsContact O-N 3.16Å; Q61-N63 VanDerWaalsContact C-N 3.33Å; Q61-N63 PolarHBondContact O-N 3Å; Q61-V64 PolarHBondContact O-N 2.9Å; Q61-Q65 WeakPolarHBondContact O-CG 3.44Å; Q61-Q65 PolarHBondContact O-N 3.03Å
62K98.3Very high97.9Very high122 Ų12264.9 Ų64.953%0.5332%0.319SS..Hα-helixtrans-67.8-34.8-177.2-59.3-38.3172.9-1640111.9E58 Y59 I60 L66E58-K62 WeakPolarHBondContact O-CG 3.4Å; E58-K62 PolarHBondContact O-N 3.46Å; Y59-K62 PolarHBondContact O-N 3.12Å; I60-K62 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 3.37Å; K62-L66 WeakPolarHBondContact O-CB 3.27Å; K62-L66 PolarHBondContact O-N 3.44Å
63N98.3Very high97.8Very high48 Ų4869.5 Ų69.526%0.25733%0.334SS..Hα-helixtrans-69.5-39.4175.9-80.8-80.8000112.7Y59 I60 Q61 L66 Y67 F83Y59-N63 WeakPolarHBondContact CE2-ND2 3.38Å; Y59-N63 PolarHBondContact O-N 2.86Å; Y59-N63 PolarHBondContact O-ND2 3.47Å; I60-N63 PolarHBondContact O-N 3.48Å; Q61-N63 VanDerWaalsContact C-N 3.33Å; Q61-N63 PolarHBondContact O-N 3Å; N63-L66 PolarHBondContact O-N 3.31Å; N63-Y67 PolarHBondContact O-N 3.32Å; N63-F83 HydrophobicContact CB-CE1 3.69Å; N63-F83 HydrophobicContact CB-CZ 3.65Å
64V97.9Very high97.8Very high4 Ų471.2 Ų71.22%0.02434%0.342CS..Hα-helixtrans-64.6-44174.3175.40000110.7M38 I60 Q61 Y67 K68 L75M38-V64 HydrophobicContact CB-CG1 4.3Å; M38-V64 WeakPolarHBondContact O-CG1 3.37Å; I60-V64 HydrophobicContact CG2-CG2 4.24Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.42Å; Q61-V64 PolarHBondContact O-N 2.9Å; V64-Y67 WeakPolarHBondContact O-CB 3.12Å; V64-Y67 PolarHBondContact O-N 3.37Å; V64-K68 PolarHBondContact O-N 3.07Å; V64-K68 VanDerWaalsContact O-N 3.09Å; V64-L75 HydrophobicContact CG1-CD1 4.45Å; V64-L75 HydrophobicContact CG2-CD1 4.32Å
65Q97.7Very high97.7Very high51 Ų5169.9 Ų69.924%0.23833%0.332CS..Hα-helixtrans-64.5-40.6175-70.5-65.8-3800112.3M38 Q61 Y67 K68 M69M38-Q65 PolarHBondContact O-NE2 2.95Å; Q61-Q65 WeakPolarHBondContact O-CG 3.44Å; Q61-Q65 PolarHBondContact O-N 3.03Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.87Å; Q65-K68 WeakPolarHBondContact O-CB 3.41Å; Q65-K68 PolarHBondContact O-N 3.27Å; Q65-M69 WeakPolarHBondContact O-CG 3.49Å; Q65-M69 PolarHBondContact O-N 3.04Å
66L98.5Very high97.7Very high72 Ų7265.7 Ų65.738%0.37732%0.316SS..Hα-helixtrans-60.9-41.5174.6177.862000111.7K62 N63 K68 M69 R70K62-L66 WeakPolarHBondContact O-CB 3.27Å; K62-L66 PolarHBondContact O-N 3.44Å; N63-L66 PolarHBondContact O-N 3.31Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.07Å; L66-M69 PolarHBondContact O-N 3.29Å; L66-R70 HydrophobicContact CD1-CG 4.22Å; L66-R70 WeakPolarHBondContact O-CB 3.3Å; L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 2.79Å
67Y98.3Very high97.7Very high77 Ų7765.8 Ų65.830%0.30232%0.317SS..Hα-helixtrans-59.5-45.7175.4-173.9-78.7000111.3N63 V64 Q65 M69 R70 N71 Y73 L75N63-Y67 PolarHBondContact O-N 3.32Å; V64-Y67 WeakPolarHBondContact O-CB 3.12Å; V64-Y67 PolarHBondContact O-N 3.37Å; Q65-Y67 VanDerWaalsContact C-N 3.32Å; Q65-Y67 PolarHBondContact O-N 2.87Å; Y67-M69 VanDerWaalsContact C-N 3.35Å; Y67-M69 PolarHBondContact O-N 3.13Å; Y67-R70 PolarHBondContact O-N 3.43Å; Y67-N71 WeakPolarHBondContact CD1-ND2 3.05Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.44Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 VanDerWaalsContact CE1-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.37Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.25Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.31Å; Y67-N71 PolarHBondContact O-N 2.78Å; Y67-N71 PolarHBondContact O-ND2 3Å; Y67-Y73 HydrophobicContact CE1-CD2 4.15Å; Y67-Y73 AromaticContact CE1-CE2 3.56Å; Y67-Y73 HydrophobicContact CE1-CE2 3.56Å; Y67-Y73 PolarHBondContact OH-OH 3.27Å; Y67-Y73 VanDerWaalsContact OH-OH 3.06Å; Y67-L75 HydrophobicContact CD1-CD1 4.28Å; Y67-L75 HydrophobicContact CD1-CD2 3.71Å; Y67-L75 HydrophobicContact CD1-CG 3.57Å; Y67-L75 HydrophobicContact CD2-CD1 4.44Å; Y67-L75 HydrophobicContact CD2-CD2 4.08Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.41Å; Y67-L75 VanDerWaalsContact CE1-CD2 3.41Å; Y67-L75 HydrophobicContact CE1-CG 3.78Å; Y67-L75 HydrophobicContact CE2-CD2 3.8Å; Y67-L75 HydrophobicContact CG-CD1 4.1Å; Y67-L75 HydrophobicContact CG-CD2 4.03Å; Y67-L75 HydrophobicContact CG-CG 3.88Å; Y67-L75 VanDerWaalsContact CZ-CD2 3.45Å
68K97.3Very high97.7Very high52 Ų5267.4 Ų67.423%0.22633%0.327CS..Hα-helixtrans-56.4-47.8175.5178.2-179.3178.8166.30111.7E40 V64 Q65 L66 R70 G72 Y73 E74E40-K68 IonicContact OE1-NZ 2.73Å; V64-K68 PolarHBondContact O-N 3.07Å; V64-K68 VanDerWaalsContact O-N 3.09Å; Q65-K68 WeakPolarHBondContact O-CB 3.41Å; Q65-K68 PolarHBondContact O-N 3.27Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.07Å; K68-R70 PolarHBondContact O-N 3.03Å; K68-G72 WeakPolarHBondContact O-CA 3.31Å; K68-G72 PolarHBondContact O-N 2.94Å; K68-Y73 WeakPolarHBondContact CA-O 2.99Å; K68-E74 HydrophobicContact CD-CG 4.05Å; K68-E74 WeakPolarHBondContact CE-OE1 3.31Å; K68-E74 HydrophobicContact CG-CG 4.36Å; K68-E74 IonicContact NZ-OE1 3.67Å; K68-E74 PolarHBondContact NZ-OE1 3.34Å
69M97.7Very high97.6Very high144 Ų14465 Ų6571%0.70932%0.322SS*.Hα-helixtrans-67-34.3-179.7-63.3-59178.100113.1Q65 L66 Y67Q65-M69 WeakPolarHBondContact O-CG 3.49Å; Q65-M69 PolarHBondContact O-N 3.04Å; L66-M69 PolarHBondContact O-N 3.29Å; Y67-M69 VanDerWaalsContact C-N 3.35Å; Y67-M69 PolarHBondContact O-N 3.13Å
70R98Very high97.7Very high188 Ų18859.9 Ų59.971%0.70930%0.302SS*.Hα-helixtrans-74-37.4179.4-78.4-179.4170.5168.7-1.3113.4L66 Y67 K68L66-R70 HydrophobicContact CD1-CG 4.22Å; L66-R70 WeakPolarHBondContact O-CB 3.3Å; L66-R70 WeakPolarHBondContact O-CG 3.42Å; L66-R70 PolarHBondContact O-N 2.79Å; Y67-R70 PolarHBondContact O-N 3.43Å; K68-R70 PolarHBondContact O-N 3.03Å
71N97.9Very high97.7Very high72 Ų7259.8 Ų59.839%0.38530%0.302SS..Hα-helixtrans-107.4-14.3-169.7-60-63.5000113.9Y67 Y73Y67-N71 WeakPolarHBondContact CD1-ND2 3.05Å; Y67-N71 WeakPolarHBondContact CD2-ND2 3.44Å; Y67-N71 HydrophobicContact CE1-CB 4.2Å; Y67-N71 VanDerWaalsContact CE1-ND2 3.32Å; Y67-N71 WeakPolarHBondContact CE1-ND2 3.37Å; Y67-N71 WeakPolarHBondContact CE2-ND2 3.25Å; Y67-N71 VanDerWaalsContact CZ-ND2 3.31Å; Y67-N71 PolarHBondContact O-N 2.78Å; Y67-N71 PolarHBondContact O-ND2 3Å; N71-Y73 VanDerWaalsContact C-N 3.27Å; N71-Y73 HydrophobicContact CB-CD1 3.89Å; N71-Y73 HydrophobicContact CB-CE1 3.52Å; N71-Y73 HydrophobicContact CB-CE2 4.43Å; N71-Y73 HydrophobicContact CB-CG 4.49Å; N71-Y73 VanDerWaalsContact O-CD1 3.23Å; N71-Y73 WeakPolarHBondContact O-CD1 3.32Å; N71-Y73 PolarHBondContact O-N 2.96Å
72G96.2Very high97.7Very high72 Ų7261.5 Ų61.574%0.74231%0.312SS*.SBendtrans78.25.2-179.100000114.8K68K68-G72 WeakPolarHBondContact O-CA 3.31Å; K68-G72 PolarHBondContact O-N 2.94Å
73Y95.1Very high97.7Very high131 Ų13159 Ų5951%0.51430%0.301SS..SBendtrans-139.6158.9176.961.2-96.7000111.5Y67 K68 N71Y67-Y73 HydrophobicContact CE1-CD2 4.15Å; Y67-Y73 AromaticContact CE1-CE2 3.56Å; Y67-Y73 HydrophobicContact CE1-CE2 3.56Å; Y67-Y73 PolarHBondContact OH-OH 3.27Å; Y67-Y73 VanDerWaalsContact OH-OH 3.06Å; K68-Y73 WeakPolarHBondContact CA-O 2.99Å; N71-Y73 VanDerWaalsContact C-N 3.27Å; N71-Y73 HydrophobicContact CB-CD1 3.89Å; N71-Y73 HydrophobicContact CB-CE1 3.52Å; N71-Y73 HydrophobicContact CB-CE2 4.43Å; N71-Y73 HydrophobicContact CB-CG 4.49Å; N71-Y73 VanDerWaalsContact O-CD1 3.23Å; N71-Y73 WeakPolarHBondContact O-CD1 3.32Å; N71-Y73 PolarHBondContact O-N 2.96Å
74E95.8Very high97.7Very high52 Ų5256.8 Ų56.824%0.24329%0.29CS..PPolyproline II helixtrans-83.6149.9179.1-53.1-156.814400112.1S39 E40 K68S39-E74 VanDerWaalsContact CB-OE2 3.26Å; S39-E74 WeakPolarHBondContact CB-OE2 3.43Å; S39-E74 PolarHBondContact OG-OE2 3.42Å; E40-E74 WeakPolarHBondContact CG-OE1 3.49Å; E40-E74 PolarHBondContact N-OE1 3.31Å; E40-E74 VanDerWaalsContact N-OE1 3.17Å; E40-E74 PolarHBondContact N-OE2 3.39Å; K68-E74 HydrophobicContact CD-CG 4.05Å; K68-E74 WeakPolarHBondContact CE-OE1 3.31Å; K68-E74 HydrophobicContact CG-CG 4.36Å; K68-E74 IonicContact NZ-OE1 3.67Å; K68-E74 PolarHBondContact NZ-OE1 3.34Å
75L96.5Very high97.8Very high26 Ų2660.5 Ų60.514%0.13630%0.303CS..PPolyproline II helixtrans-65.9144.4168-74.5172.2000110I42 V64 Y67 A79 A80I42-L75 WeakPolarHBondContact CD1-O 3.41Å; V64-L75 HydrophobicContact CG1-CD1 4.45Å; V64-L75 HydrophobicContact CG2-CD1 4.32Å; Y67-L75 HydrophobicContact CD1-CD1 4.28Å; Y67-L75 HydrophobicContact CD1-CD2 3.71Å; Y67-L75 HydrophobicContact CD1-CG 3.57Å; Y67-L75 HydrophobicContact CD2-CD1 4.44Å; Y67-L75 HydrophobicContact CD2-CD2 4.08Å; Y67-L75 HydrophobicContact CD2-CG 4.37Å; Y67-L75 HydrophobicContact CE1-CD2 3.41Å; Y67-L75 VanDerWaalsContact CE1-CD2 3.41Å; Y67-L75 HydrophobicContact CE1-CG 3.78Å; Y67-L75 HydrophobicContact CE2-CD2 3.8Å; Y67-L75 HydrophobicContact CG-CD1 4.1Å; Y67-L75 HydrophobicContact CG-CD2 4.03Å; Y67-L75 HydrophobicContact CG-CG 3.88Å; Y67-L75 VanDerWaalsContact CZ-CD2 3.45Å; L75-A79 HydrophobicContact CB-CB 4.38Å; L75-A79 HydrophobicContact CD2-CB 3.96Å; L75-A80 HydrophobicContact CB-CB 4.46Å
76S97.3Very high97.8Very high35 Ų3562.8 Ų62.825%0.24531%0.31CS..PPolyproline II helixtrans-65.2154.5166.970.90000110.6T78 A79 A80 D108S76-T78 PolarHBondContact O-N 2.77Å; S76-A79 PolarHBondContact O-N 3.04Å; S76-A79 WeakPolarHBondContact OG-CB 3.38Å; S76-A79 PolarHBondContact OG-N 3.43Å; S76-A79 VanDerWaalsContact OG-N 3.14Å; S76-A80 PolarHBondContact O-N 3.02Å; S76-D108 VanDerWaalsContact CB-OD2 3.25Å; S76-D108 WeakPolarHBondContact CB-OD2 3.44Å
77P98.1Very high97.8Very high3 Ų360.4 Ų60.42%0.01930%0.298CS..Hα-helixtrans-52.9-39.7174.6-25.533.6000112.4I42 A80 A81 L104 D108 A114 Y116I42-P77 HydrophobicContact CD1-CG 4.4Å; I42-P77 HydrophobicContact CG1-CB 4.47Å; I42-P77 HydrophobicContact CG1-CG 4.17Å; P77-A80 PolarHBondContact O-N 3.12Å; P77-A81 WeakPolarHBondContact O-CB 3.24Å; P77-A81 PolarHBondContact O-N 2.88Å; P77-L104 HydrophobicContact CB-CD2 4.2Å; P77-D108 HydrophobicContact CG-CB 4.29Å; P77-A114 HydrophobicContact CB-CB 4.26Å; P77-Y116 HydrophobicContact CB-CE2 4.47Å
78T98.5Very high97.8Very high34 Ų3456.9 Ų56.921%0.20928%0.284CS..Hα-helixtrans-62.9-44.5176.6-53.20000112S76 A81 N82 E111 Y116S76-T78 PolarHBondContact O-N 2.77Å; T78-A81 PolarHBondContact O-N 2.87Å; T78-N82 PolarHBondContact O-N 3.1Å; T78-N82 VanDerWaalsContact O-N 3.08Å; T78-N82 PolarHBondContact O-ND2 3.19Å; T78-E111 PolarHBondContact OG1-OE2 3.11Å; T78-Y116 WeakPolarHBondContact CB-OH 3.41Å; T78-Y116 WeakPolarHBondContact CG2-OH 3.43Å; T78-Y116 PolarHBondContact OG1-OH 2.94Å
79A98.2Very high97.8Very high37 Ų3755.4 Ų55.431%0.30628%0.281SS..Hα-helixtrans-67.5-42.6177.800000111.6L75 S76 A81 N82 F83L75-A79 HydrophobicContact CB-CB 4.38Å; L75-A79 HydrophobicContact CD2-CB 3.96Å; S76-A79 PolarHBondContact O-N 3.04Å; S76-A79 WeakPolarHBondContact OG-CB 3.38Å; S76-A79 PolarHBondContact OG-N 3.43Å; S76-A79 VanDerWaalsContact OG-N 3.14Å; A79-A81 PolarHBondContact O-N 2.7Å; A79-N82 PolarHBondContact O-N 2.93Å; A79-F83 WeakPolarHBondContact O-CB 3.29Å; A79-F83 PolarHBondContact O-N 3.44Å
80A98.5Very high97.8Very high1 Ų153 Ų531%0.00827%0.272CS..Hα-helixtrans-61.7-41.3175.600000112.1I42 L75 S76 P77 F83 T84 L104I42-A80 HydrophobicContact CD1-CB 3.87Å; L75-A80 HydrophobicContact CB-CB 4.46Å; S76-A80 PolarHBondContact O-N 3.02Å; P77-A80 PolarHBondContact O-N 3.12Å; A80-F83 PolarHBondContact O-N 3.22Å; A80-T84 WeakPolarHBondContact O-CB 3.27Å; A80-T84 PolarHBondContact O-N 3.37Å; A80-T84 PolarHBondContact O-OG1 3.31Å; A80-L104 HydrophobicContact CB-CD1 4.02Å
81A98.6Very high97.7Very high0 Ų045.3 Ų45.30%025%0.246CC..Hα-helixtrans-63.2-43.7175.500000112.4P77 T78 A79 T84 R85 L104 Y116 M118 L124P77-A81 WeakPolarHBondContact O-CB 3.24Å; P77-A81 PolarHBondContact O-N 2.88Å; T78-A81 PolarHBondContact O-N 2.87Å; A79-A81 PolarHBondContact O-N 2.7Å; A81-T84 PolarHBondContact O-N 3.32Å; A81-R85 WeakPolarHBondContact O-CB 3.37Å; A81-R85 PolarHBondContact O-N 3.29Å; A81-L104 HydrophobicContact CB-CD1 4.2Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; A81-Y116 HydrophobicContact CB-CD1 4.13Å; A81-Y116 HydrophobicContact CB-CD2 3.72Å; A81-Y116 HydrophobicContact CB-CE2 4.12Å; A81-Y116 HydrophobicContact CB-CG 3.73Å; A81-M118 WeakPolarHBondContact O-CE 3.47Å; A81-L124 HydrophobicContact CB-CD1 4.3Å; A81-L124 HydrophobicContact CB-CD2 4.2Å
82N98.7Very high97.7Very high71 Ų7144.4 Ų44.438%0.3824%0.241SC..Hα-helixtrans-67.6-38.3177.3-81.1-72.4000112.9T78 A79 R85 R86T78-N82 PolarHBondContact O-N 3.1Å; T78-N82 VanDerWaalsContact O-N 3.08Å; T78-N82 PolarHBondContact O-ND2 3.19Å; A79-N82 PolarHBondContact O-N 2.93Å; N82-R85 PolarHBondContact O-N 2.88Å; N82-R86 WeakPolarHBondContact O-CB 3.31Å; N82-R86 PolarHBondContact O-N 3.3Å
83F98.6Very high97.7Very high68 Ų6851.7 Ų51.730%0.29825%0.246SC..Hα-helixtrans-62.5-46.2173.3174.6-102.7000111.6I60 N63 A79 A80 R85 R86 N87I60-F83 HydrophobicContact CD1-CD1 4.26Å; I60-F83 HydrophobicContact CD1-CE1 3.88Å; N63-F83 HydrophobicContact CB-CE1 3.69Å; N63-F83 HydrophobicContact CB-CZ 3.65Å; A79-F83 WeakPolarHBondContact O-CB 3.29Å; A79-F83 PolarHBondContact O-N 3.44Å; A80-F83 PolarHBondContact O-N 3.22Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 PolarHBondContact O-N 3.18Å; F83-R86 PolarHBondContact O-N 2.87Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.37Å; F83-N87 VanDerWaalsContact CE2-ND2 3.27Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.37Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.46Å; F83-N87 PolarHBondContact O-N 3.15Å; F83-N87 VanDerWaalsContact O-N 3.13Å; F83-N87 PolarHBondContact O-ND2 3.1Å
84T98.6Very high97.7Very high2 Ų247.7 Ų47.71%0.01224%0.237CC..Hα-helixtrans-58.7-46.8176.2-55.50000110.7F56 I60 A80 A81 R86 N87 L88 L102 M118F56-T84 HydrophobicContact CE1-CG2 3.78Å; F56-T84 HydrophobicContact CZ-CG2 4.05Å; I60-T84 HydrophobicContact CG1-CG2 4.32Å; A80-T84 WeakPolarHBondContact O-CB 3.27Å; A80-T84 PolarHBondContact O-N 3.37Å; A80-T84 PolarHBondContact O-OG1 3.31Å; A81-T84 PolarHBondContact O-N 3.32Å; T84-R86 VanDerWaalsContact C-N 3.33Å; T84-R86 PolarHBondContact O-N 3.07Å; T84-N87 PolarHBondContact O-N 3.06Å; T84-L88 PolarHBondContact O-N 3.17Å; T84-L102 HydrophobicContact CG2-CD1 3.59Å; T84-M118 HydrophobicContact CG2-CE 4.09Å; T84-M118 HydrophobicContact CG2-SD 4.29Å
85R98.6Very high97.8Very high82 Ų8257.1 Ų57.131%0.30927%0.271SS..Hα-helixtrans-58.8-43.2176.9-167.8-168.468.184-4.7112.3A81 N82 F83 L88 A89 M118 A122 L124A81-R85 WeakPolarHBondContact O-CB 3.37Å; A81-R85 PolarHBondContact O-N 3.29Å; N82-R85 PolarHBondContact O-N 2.88Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 PolarHBondContact O-N 3.18Å; R85-L88 PolarHBondContact O-N 2.74Å; R85-A89 WeakPolarHBondContact O-CB 3.47Å; R85-A89 PolarHBondContact O-N 2.91Å; R85-M118 VanDerWaalsContact CA-SD 3.54Å; R85-M118 HydrophobicContact CB-CE 3.56Å; R85-M118 HydrophobicContact CB-SD 3.98Å; R85-M118 HydrophobicContact CG-CE 4.23Å; R85-M118 HydrophobicContact CG-SD 4.26Å; R85-A122 HydrophobicContact CG-CB 4.18Å; R85-A122 WeakPolarHBondContact CG-O 3.36Å; R85-L124 HydrophobicContact CB-CD2 4.26Å; R85-L124 HydrophobicContact CG-CB 4Å; R85-L124 HydrophobicContact CG-CD2 4.5Å
86R98.6Very high97.6Very high99 Ų9960.1 Ų60.137%0.37429%0.29SS..Hα-helixtrans-61.7-49.9-179.4-176.463.7-93.7125-8.8110.8N82 F83 T84 L88 A89 D90N82-R86 WeakPolarHBondContact O-CB 3.31Å; N82-R86 PolarHBondContact O-N 3.3Å; F83-R86 PolarHBondContact O-N 2.87Å; T84-R86 VanDerWaalsContact C-N 3.33Å; T84-R86 PolarHBondContact O-N 3.07Å; R86-L88 PolarHBondContact O-N 3Å; R86-A89 PolarHBondContact O-N 3.16Å; R86-D90 IonicContact CZ-OD1 2.81Å; R86-D90 IonicContact CZ-OD2 3.19Å; R86-D90 IonicContact NE-OD1 3.64Å; R86-D90 PolarHBondContact NE-OD1 2.95Å; R86-D90 IonicContact NE-OD2 3.98Å; R86-D90 PolarHBondContact NE-OD2 3.31Å; R86-D90 VanDerWaalsContact NH2-CG 3.31Å; R86-D90 IonicContact NH2-OD1 3.52Å; R86-D90 PolarHBondContact NH2-OD1 2.98Å; R86-D90 IonicContact NH2-OD2 2.76Å; R86-D90 WeakPolarHBondContact O-CB 3.5Å; R86-D90 PolarHBondContact O-N 3.43Å
87N98.3Very high97.6Very high23 Ų2361.8 Ų61.812%0.12330%0.3CS..Hα-helixtrans-60.4-44.2178.2-75.6-87.5000112.2F56 Y59 I60 F83 T84 D90 C91F56-N87 HydrophobicContact CE2-CB 4.32Å; Y59-N87 WeakPolarHBondContact CE1-OD1 3.43Å; I60-N87 HydrophobicContact CD1-CB 3.97Å; F83-N87 WeakPolarHBondContact CE1-ND2 3.37Å; F83-N87 VanDerWaalsContact CE2-ND2 3.27Å; F83-N87 WeakPolarHBondContact CE2-ND2 3.37Å; F83-N87 WeakPolarHBondContact CZ-ND2 3.46Å; F83-N87 PolarHBondContact O-N 3.15Å; F83-N87 VanDerWaalsContact O-N 3.13Å; F83-N87 PolarHBondContact O-ND2 3.1Å; T84-N87 PolarHBondContact O-N 3.06Å; N87-D90 PolarHBondContact O-N 2.76Å; N87-C91 PolarHBondContact O-N 3.45Å; N87-C91 VanDerWaalsContact O-N 3.09Å; N87-C91 PolarHBondContact O-SG 2.9Å
88L97.9Very high97.5Very high2 Ų264.6 Ų64.61%0.0131%0.311CS..Hα-helixtrans-64.3-43.9178.3-168.959.4000111.6F56 T84 R85 R86 D90 C91 L92 V100 L102 M118 D119 A122F56-L88 HydrophobicContact CD2-CD1 4.49Å; F56-L88 HydrophobicContact CE2-CB 4.14Å; F56-L88 HydrophobicContact CE2-CD1 4.02Å; F56-L88 HydrophobicContact CZ-CB 3.82Å; F56-L88 HydrophobicContact CZ-CD1 4.14Å; F56-L88 HydrophobicContact CZ-CG 4.46Å; T84-L88 PolarHBondContact O-N 3.17Å; R85-L88 PolarHBondContact O-N 2.74Å; R86-L88 PolarHBondContact O-N 3Å; L88-D90 PolarHBondContact O-N 3.2Å; L88-C91 PolarHBondContact O-N 3Å; L88-L92 PolarHBondContact O-N 2.78Å; L88-V100 HydrophobicContact CD1-CG2 3.69Å; L88-V100 HydrophobicContact CD2-CG2 4.29Å; L88-L102 HydrophobicContact CD2-CD1 4.31Å; L88-M118 HydrophobicContact CD2-CG 4.26Å; L88-M118 HydrophobicContact CD2-SD 3.84Å; L88-D119 WeakPolarHBondContact CD2-O 3.4Å; L88-A122 HydrophobicContact CB-CB 3.88Å; L88-A122 HydrophobicContact CD2-CB 4.07Å; L88-A122 HydrophobicContact CG-CB 3.93Å
89A98.2Very high97.5Very high21 Ų2166.9 Ų66.917%0.17432%0.319CS..Hα-helixtrans-67.4-33.9177.900000113.5R85 R86 C91 L92 A122R85-A89 WeakPolarHBondContact O-CB 3.47Å; R85-A89 PolarHBondContact O-N 2.91Å; R86-A89 PolarHBondContact O-N 3.16Å; A89-C91 VanDerWaalsContact C-N 3.34Å; A89-L92 WeakPolarHBondContact O-CB 3.42Å; A89-A122 HydrophobicContact CB-CB 3.67Å
90D97.9Very high97.5Very high95 Ų9565.1 Ų65.151%0.50831%0.305SS..Hα-helixtrans-67-38.2173.6-75.9-32.2000111R86 N87 L88R86-D90 IonicContact CZ-OD1 2.81Å; R86-D90 IonicContact CZ-OD2 3.19Å; R86-D90 IonicContact NE-OD1 3.64Å; R86-D90 PolarHBondContact NE-OD1 2.95Å; R86-D90 IonicContact NE-OD2 3.98Å; R86-D90 PolarHBondContact NE-OD2 3.31Å; R86-D90 VanDerWaalsContact NH2-CG 3.31Å; R86-D90 IonicContact NH2-OD1 3.52Å; R86-D90 PolarHBondContact NH2-OD1 2.98Å; R86-D90 IonicContact NH2-OD2 2.76Å; R86-D90 WeakPolarHBondContact O-CB 3.5Å; R86-D90 PolarHBondContact O-N 3.43Å; N87-D90 PolarHBondContact O-N 2.76Å; L88-D90 PolarHBondContact O-N 3.2Å
91C96.4Very high97.5Very high26 Ų2666.7 Ų66.718%0.17631%0.313CS..Hα-helixtrans-74.4-24.4178.1-63.70000113.1N87 L88 A89 R93 S94 P97 Y98N87-C91 PolarHBondContact O-N 3.45Å; N87-C91 VanDerWaalsContact O-N 3.09Å; N87-C91 PolarHBondContact O-SG 2.9Å; L88-C91 PolarHBondContact O-N 3Å; A89-C91 VanDerWaalsContact C-N 3.34Å; C91-R93 VanDerWaalsContact C-N 3.25Å; C91-R93 PolarHBondContact O-N 3.46Å; C91-R93 VanDerWaalsContact O-N 3.12Å; C91-S94 VanDerWaalsContact O-CB 3.3Å; C91-S94 WeakPolarHBondContact O-CB 3.19Å; C91-S94 PolarHBondContact O-N 2.88Å; C91-S94 PolarHBondContact O-OG 2.87Å; C91-P97 WeakPolarHBondContact O-CA 3.34Å; C91-Y98 HydrophobicContact CB-CD2 3.78Å; C91-Y98 HydrophobicContact CB-CE2 4.21Å
92L96.5Very high97.5Very high52 Ų5266.7 Ų66.727%0.27231%0.313SS..THydrogen-bonded Turntrans-54.4-35.3-173.4-176.462.7000114.4L88 A89 L121L88-L92 PolarHBondContact O-N 2.78Å; A89-L92 WeakPolarHBondContact O-CB 3.42Å; L92-L121 HydrophobicContact CD1-CD2 3.94Å
93R97.1Very high97.5Very high225 Ų22563.3 Ų63.385%0.84930%0.295SS*.THydrogen-bonded Turntrans-11114.6177.2-66.7-177.3175.177.11113.1C91C91-R93 VanDerWaalsContact C-N 3.25Å; C91-R93 PolarHBondContact O-N 3.46Å; C91-R93 VanDerWaalsContact O-N 3.12Å
94S95.7Very high97.5Very high48 Ų4860.3 Ų60.334%0.33628%0.282SS..SBendtrans-83.9180173.8810000110.9C91 T96C91-S94 VanDerWaalsContact O-CB 3.3Å; C91-S94 WeakPolarHBondContact O-CB 3.19Å; C91-S94 PolarHBondContact O-N 2.88Å; C91-S94 PolarHBondContact O-OG 2.87Å; S94-T96 PolarHBondContact O-N 2.8Å; S94-T96 VanDerWaalsContact OG-C 3.32Å; S94-T96 PolarHBondContact OG-N 3.03Å; S94-T96 PolarHBondContact OG-O 3.45Å; S94-T96 PolarHBondContact OG-OG1 3.35Å
95R95.8Very high97.5Very high250 Ų25060.2 Ų60.294%0.94328%0.281SS*.SBendtrans-75.7-7.6171.4-69.716465.1-159.62.1113
96T94.2Very high97.5Very high89 Ų8956.3 Ų56.355%0.54627%0.266SS..SBendtrans-131.964.1-176.454.90000109.8S94S94-T96 PolarHBondContact O-N 2.8Å; S94-T96 VanDerWaalsContact OG-C 3.32Å; S94-T96 PolarHBondContact OG-N 3.03Å; S94-T96 PolarHBondContact OG-O 3.45Å; S94-T96 PolarHBondContact OG-OG1 3.35Å
97P96Very high97.5Very high70 Ų7053.4 Ų53.446%0.45526%0.256SS..  trans-66.3134.8172.830.3-33.7000109.4C91C91-P97 WeakPolarHBondContact O-CA 3.34Å
98Y97.4Very high97.5Very high62 Ų6253.5 Ų53.524%0.24326%0.256CS..  trans-91.2119.8174.3-68.9-82.9000109.7D52 Q55 F56 C91 V100D52-Y98 HydrophobicContact CB-CD1 4.05Å; D52-Y98 WeakPolarHBondContact OD2-CA 3.3Å; Q55-Y98 HydrophobicContact CB-CE1 4.35Å; F56-Y98 HydrophobicContact CB-CD1 3.88Å; F56-Y98 HydrophobicContact CB-CE1 4.27Å; F56-Y98 HydrophobicContact CB-CG 4.19Å; F56-Y98 HydrophobicContact CD2-CD1 4.23Å; F56-Y98 AromaticContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CD2 3.72Å; F56-Y98 HydrophobicContact CD2-CE2 4.17Å; F56-Y98 AromaticContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CD2-CG 3.76Å; F56-Y98 HydrophobicContact CE2-CD2 4.34Å; F56-Y98 HydrophobicContact CG-CD1 4.49Å; F56-Y98 HydrophobicContact CG-CG 4.33Å; C91-Y98 HydrophobicContact CB-CD2 3.78Å; C91-Y98 HydrophobicContact CB-CE2 4.21Å; Y98-V100 VanDerWaalsContact C-N 3.33Å; Y98-V100 PolarHBondContact O-N 2.99Å; Y98-V100 VanDerWaalsContact O-N 3.13Å
99H97.3Very high97.3Very high82 Ų8260 Ų6038%0.3829%0.286SS..  trans-88.970.1178.3-158.991000111.4G48 E49 D52 Y120G48-H99 WeakPolarHBondContact CA-O 3.46Å; E49-H99 HydrophobicContact CB-CB 3.88Å; E49-H99 PolarHBondContact N-O 3.32Å; D52-H99 PolarHBondContact OD2-N 3.24Å; H99-Y120 AromaticContact CE1-CD2 3.62Å; H99-Y120 AromaticContact CE1-CE2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.85Å; H99-Y120 AromaticContact ND1-CD2 3.68Å
100V98.4Very high97.1Very high0 Ų067.3 Ų67.30%032%0.317CS..EExtended strand (participates in β ladder)trans-124.6140.9-174.3-59.30000112.5V47 D52 T53 F56 L88 Y98 L102 Y120V47-V100 CarbonylContact O-C 3.58Å; V47-V100 WeakPolarHBondContact O-CA 3.34Å; D52-V100 HydrophobicContact CB-CG1 3.93Å; T53-V100 HydrophobicContact CG2-CG1 4.08Å; F56-V100 HydrophobicContact CB-CG1 4.36Å; F56-V100 HydrophobicContact CB-CG2 4.45Å; F56-V100 HydrophobicContact CD1-CG2 3.83Å; F56-V100 HydrophobicContact CE1-CG2 4.26Å; F56-V100 HydrophobicContact CG-CG2 4.05Å; L88-V100 HydrophobicContact CD1-CG2 3.69Å; L88-V100 HydrophobicContact CD2-CG2 4.29Å; Y98-V100 VanDerWaalsContact C-N 3.33Å; Y98-V100 PolarHBondContact O-N 2.99Å; Y98-V100 VanDerWaalsContact O-N 3.13Å; V100-L102 HydrophobicContact CB-CD2 4.22Å; V100-L102 HydrophobicContact CG2-CD1 4.47Å; V100-L102 HydrophobicContact CG2-CD2 4.12Å; V100-L102 HydrophobicContact CG2-CG 4.37Å; V100-Y120 WeakPolarHBondContact O-CA 3.43Å; V100-Y120 WeakPolarHBondContact O-CB 3.41Å; V100-Y120 PolarHBondContact O-N 3.3Å
101N98.6Very high97Very high33 Ų3369.3 Ų69.318%0.17632%0.323CS..EExtended strand (participates in β ladder)trans-117.4138.2172.6-66.1-59.8000109.1V47 D119 Y120V47-N101 HydrophobicContact CG2-CB 4.09Å; V47-N101 PolarHBondContact N-O 3.48Å; V47-N101 PolarHBondContact O-N 2.82Å; N101-D119 VanDerWaalsContact OD1-CA 3.25Å; N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; N101-Y120 PolarHBondContact OD1-N 3.47Å
102L98.7Very high97.1Very high1 Ų168.6 Ų68.61%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-133.7139.5-161.8-48.2170.8000112.3L44 L45 C46 F56 T84 L88 V100 M118 H132L44-L102 HydrophobicContact CD1-CB 4.1Å; L44-L102 HydrophobicContact CD1-CD1 4.41Å; L44-L102 HydrophobicContact CD1-CD2 4.44Å; L44-L102 HydrophobicContact CD2-CD2 4.46Å; L45-L102 VanDerWaalsContact O-CA 3.25Å; L45-L102 WeakPolarHBondContact O-CA 3.34Å; C46-L102 HydrophobicContact CB-CD2 3.75Å; C46-L102 WeakPolarHBondContact SG-CD2 3.42Å; F56-L102 HydrophobicContact CD1-CD1 4.31Å; F56-L102 HydrophobicContact CD1-CD2 4.46Å; F56-L102 HydrophobicContact CE1-CD1 3.64Å; T84-L102 HydrophobicContact CG2-CD1 3.59Å; L88-L102 HydrophobicContact CD2-CD1 4.31Å; V100-L102 HydrophobicContact CB-CD2 4.22Å; V100-L102 HydrophobicContact CG2-CD1 4.47Å; V100-L102 HydrophobicContact CG2-CD2 4.12Å; V100-L102 HydrophobicContact CG2-CG 4.37Å; L102-M118 HydrophobicContact CB-CB 4.26Å; L102-M118 HydrophobicContact CD1-SD 4Å; L102-M118 PolarHBondContact N-O 3.19Å; L102-M118 PolarHBondContact O-N 2.89Å; L102-H132 PolarHBondContact N-CE1 2.98Å; L102-H132 PolarHBondContact O-CE1 3.49Å; L102-H132 PolarHBondContact O-ND1 3.1Å
103L98.8Very high97.2Very high0 Ų066.6 Ų66.60%031%0.31CS..EExtended strand (participates in β ladder)trans-111129156.4-61.4-179.6000108.4L4 L45 L115 Y116 Y117 A130L4-L103 HydrophobicContact CB-CD1 3.86Å; L4-L103 HydrophobicContact CB-CG 4.36Å; L4-L103 HydrophobicContact CD1-CG 4.44Å; L45-L103 HydrophobicContact CB-CB 4.25Å; L45-L103 HydrophobicContact CD1-CB 4.34Å; L45-L103 PolarHBondContact N-O 3.03Å; L45-L103 PolarHBondContact O-N 3.28Å; L103-L115 HydrophobicContact CB-CD1 4.34Å; L103-Y116 CarbonylContact C-O 3.57Å; L103-Y116 VanDerWaalsContact CA-O 3.31Å; L103-Y116 WeakPolarHBondContact CA-O 3.48Å; L103-Y117 HydrophobicContact CD2-CD2 4Å; L103-A130 HydrophobicContact CD2-CB 3.78Å
104L98.8Very high97.2Very high5 Ų556.1 Ų56.13%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-108.9118168.8-173153.9000108.6I42 L44 P77 A80 A81 L115 Y116I42-L104 HydrophobicContact CG2-CD1 4.16Å; I42-L104 HydrophobicContact CG2-CD2 3.89Å; I42-L104 HydrophobicContact CG2-CG 3.95Å; L44-L104 HydrophobicContact CD1-CB 4.03Å; L44-L104 HydrophobicContact CD1-CD1 4.3Å; L44-L104 HydrophobicContact CD1-CG 4.47Å; P77-L104 HydrophobicContact CB-CD2 4.2Å; A80-L104 HydrophobicContact CB-CD1 4.02Å; A81-L104 HydrophobicContact CB-CD1 4.2Å; A81-L104 HydrophobicContact CB-CD2 4.37Å; L104-L115 WeakPolarHBondContact O-CA 3.42Å; L104-Y116 HydrophobicContact CD2-CD2 4.03Å; L104-Y116 PolarHBondContact N-O 3.42Å; L104-Y116 PolarHBondContact O-N 2.94Å
105A98.8Very high97.4Very high0 Ų053.8 Ų53.80%026%0.256CS..EExtended strand (participates in β ladder)trans-112136.3176.700000108.9V13 V15 I42 L43 A114 L115 I183V13-A105 HydrophobicContact CB-CB 4.13Å; V13-A105 HydrophobicContact CG1-CB 3.63Å; V15-A105 HydrophobicContact CG1-CB 3.48Å; V15-A105 VanDerWaalsContact CG1-CB 3.48Å; I42-A105 WeakPolarHBondContact CA-O 3.42Å; L43-A105 PolarHBondContact N-O 2.83Å; L43-A105 PolarHBondContact O-N 2.76Å; L43-A105 VanDerWaalsContact O-O 3.13Å; A105-A114 WeakPolarHBondContact CA-O 3.47Å; A105-L115 HydrophobicContact CB-CD1 4.21Å; A105-I183 HydrophobicContact CB-CD1 3.56Å; A105-I183 WeakPolarHBondContact O-CD1 3.42Å
106G98.5Very high97.5Very high0 Ų042.8 Ų42.80%021%0.214CC..EExtended strand (participates in β ladder)trans-161.2172.6173.500000113.9K41 P113 A114K41-G106 CarbonylContact O-C 3.49Å; K41-G106 WeakPolarHBondContact O-CA 3.25Å; G106-P113 WeakPolarHBondContact O-CA 3.31Å; G106-A114 PolarHBondContact N-O 2.98Å; G106-A114 PolarHBondContact O-N 2.88Å
107Y98.6Very high97.8Very high38 Ų3842.1 Ų42.115%0.14920%0.202CC..EExtended strand (participates in β ladder)trans-124.3122.6175.4-172.3-81.4000109.8D11 K41 P113 D184 K185D11-Y107 VanDerWaalsContact O-CE2 3.24Å; D11-Y107 WeakPolarHBondContact O-CE2 3.33Å; K41-Y107 WeakPolarHBondContact CB-O 3.28Å; K41-Y107 PolarHBondContact O-N 3.26Å; Y107-P113 HydrophobicContact CD2-CB 4.25Å; Y107-D184 VanDerWaalsContact CG-C 3.49Å; Y107-K185 HydrophobicContact CD1-CB 4.08Å; Y107-K185 VanDerWaalsContact CE1-CA 3.43Å; Y107-K185 HydrophobicContact CE1-CB 3.45Å; Y107-K185 VanDerWaalsContact CE1-CB 3.45Å; Y107-K185 HydrophobicContact CE2-CB 4.36Å
108D97.4Very high97.9Very high25 Ų2539 Ų3913%0.13418%0.182CC..EExtended strand (participates in β ladder)trans-96.7142.2172.1-169.3-92.8000110.5S76 P77 H110 E111 G112S76-D108 VanDerWaalsContact CB-OD2 3.25Å; S76-D108 WeakPolarHBondContact CB-OD2 3.44Å; P77-D108 HydrophobicContact CG-CB 4.29Å; D108-H110 PolarHBondContact O-N 3.5Å; D108-H110 WeakPolarHBondContact OD1-CA 3.16Å; D108-H110 PolarHBondContact OD1-N 2.87Å; D108-E111 HydrophobicContact CB-CB 3.91Å; D108-E111 PolarHBondContact OD1-N 3.3Å; D108-G112 PolarHBondContact N-O 3.09Å; D108-G112 VanDerWaalsContact O-CA 3.27Å; D108-G112 WeakPolarHBondContact O-CA 3.38Å; D108-G112 PolarHBondContact O-N 3.41Å
109E93.9Very high97.9Very high137 Ų13737.5 Ų37.564%0.6418%0.177SC*.THydrogen-bonded Turntrans-66.8-26.5-178.8-65.7-178175.200113.4K41K41-E109 VanDerWaalsContact NZ-CG 3.29Å; K41-E109 IonicContact NZ-OE1 2.74Å; K41-E109 PolarHBondContact NZ-OE1 3.2Å
110H94.6Very high97.9Very high176 Ų17637.8 Ų37.882%0.81518%0.176SC*.THydrogen-bonded Turntrans-107-40.1-178.1-59.3-61.4000112.4D108D108-H110 PolarHBondContact O-N 3.5Å; D108-H110 WeakPolarHBondContact OD1-CA 3.16Å; D108-H110 PolarHBondContact OD1-N 2.87Å
111E95.9Very high97.9Very high137 Ų13741.9 Ų41.964%0.6420%0.197SC*.THydrogen-bonded Turntrans-90.2-15.4-178-54.2-165.4107.600113.7T78 D108T78-E111 PolarHBondContact OG1-OE2 3.11Å; D108-E111 HydrophobicContact CB-CB 3.91Å; D108-E111 PolarHBondContact OD1-N 3.3Å
112G97.5Very high97.9Very high11 Ų1140.6 Ų40.611%0.11319%0.191CC..EExtended strand (participates in β ladder)trans77.8-153.7-177.100000113.6D108D108-G112 PolarHBondContact N-O 3.09Å; D108-G112 VanDerWaalsContact O-CA 3.27Å; D108-G112 WeakPolarHBondContact O-CA 3.38Å; D108-G112 PolarHBondContact O-N 3.41Å
113P98.5Very high97.9Very high9 Ų943.2 Ų43.26%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-73141.4-174.730.6-35.6000112.7Q8 G9 P10 Y12 V13 G106 Y107Q8-P113 HydrophobicContact CG-CB 3.98Å; Q8-P113 HydrophobicContact CG-CG 4.17Å; Q8-P113 PolarHBondContact NE2-O 2.91Å; Q8-P113 PolarHBondContact OE1-O 3.44Å; G9-P113 VanDerWaalsContact O-CG 3.26Å; G9-P113 WeakPolarHBondContact O-CG 3.36Å; P10-P113 VanDerWaalsContact O-CD 3.25Å; P10-P113 WeakPolarHBondContact O-CD 3.27Å; P10-P113 VanDerWaalsContact O-CG 3.29Å; P10-P113 WeakPolarHBondContact O-CG 3.47Å; Y12-P113 WeakPolarHBondContact O-CB 3.35Å; V13-P113 HydrophobicContact CG2-CB 3.55Å; G106-P113 WeakPolarHBondContact O-CA 3.31Å; Y107-P113 HydrophobicContact CD2-CB 4.25Å
114A98.7Very high97.9Very high5 Ų545.5 Ų45.54%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-138.6133.117800000111.7P77 A105 G106 Y116P77-A114 HydrophobicContact CB-CB 4.26Å; A105-A114 WeakPolarHBondContact CA-O 3.47Å; G106-A114 PolarHBondContact N-O 2.98Å; G106-A114 PolarHBondContact O-N 2.88Å; A114-Y116 HydrophobicContact CB-CD2 4.34Å; A114-Y116 HydrophobicContact CB-CE2 3.71Å
115L98.9Very high97.9Very high0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-120.4127.3171.617767.3000109.7G6 Q8 V13 L103 L104 A105 K126 A127 A130G6-L115 VanDerWaalsContact C-CD2 3.41Å; G6-L115 WeakPolarHBondContact O-CD2 3.36Å; Q8-L115 HydrophobicContact CB-CB 4.32Å; V13-L115 HydrophobicContact CG1-CB 4.14Å; V13-L115 HydrophobicContact CG1-CD1 4.25Å; L103-L115 HydrophobicContact CB-CD1 4.34Å; L104-L115 WeakPolarHBondContact O-CA 3.42Å; A105-L115 HydrophobicContact CB-CD1 4.21Å; L115-K126 WeakPolarHBondContact O-CA 3.45Å; L115-K126 WeakPolarHBondContact O-CG 3.2Å; L115-A127 WeakPolarHBondContact CB-O 3.37Å; L115-A127 PolarHBondContact O-N 3.46Å; L115-A130 HydrophobicContact CD2-CB 4.22Å
116Y98.9Very high97.9Very high18 Ų1853 Ų537%0.07127%0.267CS..EExtended strand (participates in β ladder)trans-119.5128.6-179.1-71.2-77.2000110.2P77 T78 A81 L103 L104 A114 L124 A125 K126P77-Y116 HydrophobicContact CB-CE2 4.47Å; T78-Y116 WeakPolarHBondContact CB-OH 3.41Å; T78-Y116 WeakPolarHBondContact CG2-OH 3.43Å; T78-Y116 PolarHBondContact OG1-OH 2.94Å; A81-Y116 HydrophobicContact CB-CD1 4.13Å; A81-Y116 HydrophobicContact CB-CD2 3.72Å; A81-Y116 HydrophobicContact CB-CE2 4.12Å; A81-Y116 HydrophobicContact CB-CG 3.73Å; L103-Y116 CarbonylContact C-O 3.57Å; L103-Y116 VanDerWaalsContact CA-O 3.31Å; L103-Y116 WeakPolarHBondContact CA-O 3.48Å; L104-Y116 HydrophobicContact CD2-CD2 4.03Å; L104-Y116 PolarHBondContact N-O 3.42Å; L104-Y116 PolarHBondContact O-N 2.94Å; A114-Y116 HydrophobicContact CB-CD2 4.34Å; A114-Y116 HydrophobicContact CB-CE2 3.71Å; Y116-L124 HydrophobicContact CD1-CD1 3.72Å; Y116-L124 HydrophobicContact CD1-CG 4.29Å; Y116-L124 HydrophobicContact CG-CD1 4.1Å; Y116-A125 WeakPolarHBondContact CA-O 3.21Å; Y116-K126 HydrophobicContact CD1-CB 3.93Å; Y116-K126 HydrophobicContact CD1-CG 4.18Å; Y116-K126 HydrophobicContact CE1-CB 3.68Å; Y116-K126 HydrophobicContact CE1-CD 4.1Å; Y116-K126 HydrophobicContact CE1-CG 3.81Å
117Y98.8Very high97.9Very high76 Ų7654 Ų5430%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-95.1134.5169.4176.6-80.6000109.5L103 D119 L124 A125 A130 H132L103-Y117 HydrophobicContact CD2-CD2 4Å; Y117-D119 HydrophobicContact CE1-CB 4.08Å; Y117-L124 WeakPolarHBondContact O-CA 3.05Å; Y117-L124 WeakPolarHBondContact O-CD1 3.21Å; Y117-A125 PolarHBondContact N-O 2.8Å; Y117-A125 PolarHBondContact O-N 2.84Å; Y117-A130 HydrophobicContact CD2-CB 4.06Å; Y117-H132 AromaticContact CD2-CE1 3.44Å; Y117-H132 VanDerWaalsContact CD2-CE1 3.44Å; Y117-H132 WeakPolarHBondContact CD2-CE1 3.27Å; Y117-H132 AromaticContact CD2-NE2 3.64Å; Y117-H132 AromaticContact CE1-NE2 3.71Å; Y117-H132 AromaticContact CE2-CD2 3.41Å; Y117-H132 VanDerWaalsContact CE2-CD2 3.41Å; Y117-H132 WeakPolarHBondContact CE2-CD2 3.47Å; Y117-H132 AromaticContact CE2-CE1 3.31Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.37Å; Y117-H132 AromaticContact CE2-CG 3.96Å; Y117-H132 AromaticContact CE2-ND1 3.9Å; Y117-H132 AromaticContact CE2-NE2 2.99Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.36Å; Y117-H132 AromaticContact CZ-CD2 3.66Å; Y117-H132 AromaticContact CZ-CE1 3.7Å; Y117-H132 AromaticContact CZ-NE2 3.01Å; Y117-H132 PolarHBondContact OH-NE2 2.93Å
118M98.7Very high97.9Very high5 Ų555 Ų553%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-141126.4171.2-168.2-174.6-50.600111.4A81 T84 R85 L88 L102 A123 L124 H132A81-M118 WeakPolarHBondContact O-CE 3.47Å; T84-M118 HydrophobicContact CG2-CE 4.09Å; T84-M118 HydrophobicContact CG2-SD 4.29Å; R85-M118 VanDerWaalsContact CA-SD 3.54Å; R85-M118 HydrophobicContact CB-CE 3.56Å; R85-M118 HydrophobicContact CB-SD 3.98Å; R85-M118 HydrophobicContact CG-CE 4.23Å; R85-M118 HydrophobicContact CG-SD 4.26Å; L88-M118 HydrophobicContact CD2-CG 4.26Å; L88-M118 HydrophobicContact CD2-SD 3.84Å; L102-M118 HydrophobicContact CB-CB 4.26Å; L102-M118 HydrophobicContact CD1-SD 4Å; L102-M118 PolarHBondContact N-O 3.19Å; L102-M118 PolarHBondContact O-N 2.89Å; M118-A123 VanDerWaalsContact CA-O 3.27Å; M118-A123 WeakPolarHBondContact CA-O 3.31Å; M118-L124 HydrophobicContact CB-CD1 4.44Å; M118-L124 HydrophobicContact CE-CD1 3.88Å; M118-H132 PolarHBondContact O-CE1 3.23Å; M118-H132 PolarHBondContact O-NE2 2.97Å
119D98.5Very high97.9Very high29 Ų2955.2 Ų55.216%0.15529%0.286CS..  trans-88.6172.9173.876.3-19.9000111.9L88 N101 Y117 L121 A122 A123L88-D119 WeakPolarHBondContact CD2-O 3.4Å; N101-D119 VanDerWaalsContact OD1-CA 3.25Å; N101-D119 WeakPolarHBondContact OD1-CA 3.35Å; Y117-D119 HydrophobicContact CE1-CB 4.08Å; D119-L121 PolarHBondContact O-N 3.14Å; D119-L121 VanDerWaalsContact O-N 3.1Å; D119-L121 PolarHBondContact OD1-N 2.81Å; D119-A122 WeakPolarHBondContact O-CA 3.42Å; D119-A122 PolarHBondContact O-N 3.43Å; D119-A122 PolarHBondContact OD1-N 2.83Å; D119-A123 PolarHBondContact N-O 3.17Å; D119-A123 VanDerWaalsContact OD1-CB 3.29Å; D119-A123 WeakPolarHBondContact OD1-CB 3.23Å; D119-A123 PolarHBondContact OD1-N 3.34Å
120Y97.4Very high98.1Very high89 Ų8949 Ų4935%0.34926%0.258SS..THydrogen-bonded Turntrans-62.2-15.1178.376.1-81.7000114.3H99 V100 N101H99-Y120 AromaticContact CE1-CD2 3.62Å; H99-Y120 AromaticContact CE1-CE2 3.76Å; H99-Y120 AromaticContact CE1-CG 3.85Å; H99-Y120 AromaticContact ND1-CD2 3.68Å; V100-Y120 WeakPolarHBondContact O-CA 3.43Å; V100-Y120 WeakPolarHBondContact O-CB 3.41Å; V100-Y120 PolarHBondContact O-N 3.3Å; N101-Y120 PolarHBondContact OD1-N 3.47Å
121L98.1Very high98.3Very high85 Ų8540.9 Ų40.945%0.44522%0.221SC..THydrogen-bonded Turntrans-85.52.3172.2-58.4-179.8000112.8L92 D119 A123L92-L121 HydrophobicContact CD1-CD2 3.94Å; D119-L121 PolarHBondContact O-N 3.14Å; D119-L121 VanDerWaalsContact O-N 3.1Å; D119-L121 PolarHBondContact OD1-N 2.81Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 2.98Å
122A97.8Very high98.5Very high6 Ų634.7 Ų34.75%0.0519%0.192CC..  trans61.829.6-176.600000114.2R85 L88 A89 D119R85-A122 HydrophobicContact CG-CB 4.18Å; R85-A122 WeakPolarHBondContact CG-O 3.36Å; L88-A122 HydrophobicContact CB-CB 3.88Å; L88-A122 HydrophobicContact CD2-CB 4.07Å; L88-A122 HydrophobicContact CG-CB 3.93Å; A89-A122 HydrophobicContact CB-CB 3.67Å; D119-A122 WeakPolarHBondContact O-CA 3.42Å; D119-A122 PolarHBondContact O-N 3.43Å; D119-A122 PolarHBondContact OD1-N 2.83Å
123A98.6Very high98.4Very high56 Ų5635.2 Ų35.246%0.46320%0.198SC..  trans-76121.8166.400000108.8M118 D119 L121M118-A123 VanDerWaalsContact CA-O 3.27Å; M118-A123 WeakPolarHBondContact CA-O 3.31Å; D119-A123 PolarHBondContact N-O 3.17Å; D119-A123 VanDerWaalsContact OD1-CB 3.29Å; D119-A123 WeakPolarHBondContact OD1-CB 3.23Å; D119-A123 PolarHBondContact OD1-N 3.34Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 2.98Å
124L98.7Very high98.4Very high48 Ų4841.3 Ų41.325%0.25122%0.221SC..EExtended strand (participates in β ladder)trans-109.6125-176.3175.161.1000110.4A81 R85 Y116 Y117 M118A81-L124 HydrophobicContact CB-CD1 4.3Å; A81-L124 HydrophobicContact CB-CD2 4.2Å; R85-L124 HydrophobicContact CB-CD2 4.26Å; R85-L124 HydrophobicContact CG-CB 4Å; R85-L124 HydrophobicContact CG-CD2 4.5Å; Y116-L124 HydrophobicContact CD1-CD1 3.72Å; Y116-L124 HydrophobicContact CD1-CG 4.29Å; Y116-L124 HydrophobicContact CG-CD1 4.1Å; Y117-L124 WeakPolarHBondContact O-CA 3.05Å; Y117-L124 WeakPolarHBondContact O-CD1 3.21Å; M118-L124 HydrophobicContact CB-CD1 4.44Å; M118-L124 HydrophobicContact CE-CD1 3.88Å
125A98.7Very high98.3Very high51 Ų5141.1 Ų41.142%0.42122%0.219SC..EExtended strand (participates in β ladder)trans-129.9131.7174.400000110.6Y116 Y117Y116-A125 WeakPolarHBondContact CA-O 3.21Å; Y117-A125 PolarHBondContact N-O 2.8Å; Y117-A125 PolarHBondContact O-N 2.84Å
126K98.6Very high98.3Very high113 Ų11341.5 Ų41.549%0.49122%0.222SC..EExtended strand (participates in β ladder)trans-81132.8167.3-166.1179.7-169.1-71.90108.4Q8 L115 Y116Q8-K126 VanDerWaalsContact OE1-NZ 3.13Å; L115-K126 WeakPolarHBondContact O-CA 3.45Å; L115-K126 WeakPolarHBondContact O-CG 3.2Å; Y116-K126 HydrophobicContact CD1-CB 3.93Å; Y116-K126 HydrophobicContact CD1-CG 4.18Å; Y116-K126 HydrophobicContact CE1-CB 3.68Å; Y116-K126 HydrophobicContact CE1-CD 4.1Å; Y116-K126 HydrophobicContact CE1-CG 3.81Å
127A98.4Very high98.2Very high21 Ų2148.4 Ų48.417%0.17425%0.253CS..  trans-141.1149.3-175.700000112.3L115 F129 A130L115-A127 WeakPolarHBondContact CB-O 3.37Å; L115-A127 PolarHBondContact O-N 3.46Å; A127-F129 VanDerWaalsContact C-N 3.26Å; A127-F129 WeakPolarHBondContact CB-O 3.15Å; A127-F129 PolarHBondContact O-N 3.37Å; A127-A130 HydrophobicContact CB-CB 4.35Å
128P98.5Very high98.2Very high57 Ų5747.3 Ų47.337%0.3725%0.252SS..SBendtrans-68.2-27.9174.227.3-33.8000112.6Q8 Y147Q8-P128 WeakPolarHBondContact CA-O 3.46Å; Q8-P128 WeakPolarHBondContact CB-O 3.27Å; Q8-P128 PolarHBondContact N-O 2.91Å; P128-Y147 HydrophobicContact CB-CE1 3.61Å; P128-Y147 HydrophobicContact CB-CE2 4.48Å; P128-Y147 WeakPolarHBondContact CB-OH 3.37Å; P128-Y147 HydrophobicContact CG-CE1 4.35Å
129F98.7Very high98.2Very high31 Ų3147 Ų4714%0.13625%0.251CS..EExtended strand (participates in β ladder)trans-153.7153.6170.851.5-95.8000108G6 A127 L140 L143 D144 Y147G6-F129 CarbonylContact O-C 3.54Å; G6-F129 WeakPolarHBondContact O-CA 3.07Å; G6-F129 WeakPolarHBondContact O-CB 3.42Å; A127-F129 VanDerWaalsContact C-N 3.26Å; A127-F129 WeakPolarHBondContact CB-O 3.15Å; A127-F129 PolarHBondContact O-N 3.37Å; F129-L140 HydrophobicContact CD2-CD2 4.33Å; F129-L140 HydrophobicContact CE2-CD2 4.5Å; F129-L143 HydrophobicContact CB-CD1 4.23Å; F129-L143 HydrophobicContact CD2-CB 3.65Å; F129-L143 HydrophobicContact CD2-CD1 3.82Å; F129-L143 HydrophobicContact CD2-CG 4.33Å; F129-L143 HydrophobicContact CE2-CB 3.79Å; F129-L143 HydrophobicContact CG-CB 4.04Å; F129-L143 HydrophobicContact CG-CD1 4.25Å; F129-L143 HydrophobicContact CZ-CB 4.29Å; F129-D144 WeakPolarHBondContact CE2-OD1 3.3Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.2Å; F129-Y147 AromaticContact CD1-CD1 3.64Å; F129-Y147 HydrophobicContact CD1-CD1 3.64Å; F129-Y147 AromaticContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CE1 4.06Å; F129-Y147 HydrophobicContact CD1-CE2 4.11Å; F129-Y147 AromaticContact CD1-CG 3.45Å; F129-Y147 HydrophobicContact CD1-CG 3.45Å; F129-Y147 VanDerWaalsContact CD1-CG 3.45Å; F129-Y147 AromaticContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD1 3.5Å; F129-Y147 VanDerWaalsContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD2 4.33Å; F129-Y147 HydrophobicContact CE1-CE1 4.16Å; F129-Y147 AromaticContact CE1-CG 3.6Å; F129-Y147 HydrophobicContact CE1-CG 3.6Å
130A98.7Very high98.2Very high6 Ų648.5 Ų48.55%0.0526%0.258CS..EExtended strand (participates in β ladder)trans-157.8155.9-179.800000110.5I5 G6 L103 L115 Y117 A127I5-A130 CarbonylContact C-O 3.53Å; I5-A130 WeakPolarHBondContact CA-O 3.32Å; G6-A130 PolarHBondContact N-O 3.45Å; G6-A130 PolarHBondContact O-N 3.27Å; L103-A130 HydrophobicContact CD2-CB 3.78Å; L115-A130 HydrophobicContact CD2-CB 4.22Å; Y117-A130 HydrophobicContact CD2-CB 4.06Å; A127-A130 HydrophobicContact CB-CB 4.35Å
131A98.8Very high98.3Very high6 Ų647.8 Ų47.85%0.0527%0.266CS..EExtended strand (participates in β ladder)trans-145150176.400000111.1Y3 L4 I5 A136 L140Y3-A131 HydrophobicContact CE2-CB 4.23Å; L4-A131 CarbonylContact O-C 3.58Å; L4-A131 WeakPolarHBondContact O-CA 3.45Å; L4-A131 VanDerWaalsContact O-CB 3.27Å; L4-A131 WeakPolarHBondContact O-CB 3.43Å; I5-A131 HydrophobicContact CB-CB 4.48Å; A131-A136 HydrophobicContact CB-CB 3.59Å; A131-L140 HydrophobicContact CB-CD2 4.34Å
132H98.7Very high98.3Very high6 Ų644.9 Ų44.93%0.02825%0.251CS..EExtended strand (participates in β ladder)trans-121.4154.5174.1-84.8121.7000111.3L4 V47 L102 Y117 M118L4-H132 HydrophobicContact CB-CB 4.19Å; L4-H132 HydrophobicContact CD1-CB 4.32Å; L4-H132 HydrophobicContact CG-CB 4.42Å; L4-H132 PolarHBondContact N-O 3.38Å; L4-H132 PolarHBondContact O-N 2.88Å; V47-H132 HydrophobicContact CG2-CB 4.07Å; L102-H132 PolarHBondContact N-CE1 2.98Å; L102-H132 PolarHBondContact O-CE1 3.49Å; L102-H132 PolarHBondContact O-ND1 3.1Å; Y117-H132 AromaticContact CD2-CE1 3.44Å; Y117-H132 VanDerWaalsContact CD2-CE1 3.44Å; Y117-H132 WeakPolarHBondContact CD2-CE1 3.27Å; Y117-H132 AromaticContact CD2-NE2 3.64Å; Y117-H132 AromaticContact CE1-NE2 3.71Å; Y117-H132 AromaticContact CE2-CD2 3.41Å; Y117-H132 VanDerWaalsContact CE2-CD2 3.41Å; Y117-H132 WeakPolarHBondContact CE2-CD2 3.47Å; Y117-H132 AromaticContact CE2-CE1 3.31Å; Y117-H132 WeakPolarHBondContact CE2-CE1 3.37Å; Y117-H132 AromaticContact CE2-CG 3.96Å; Y117-H132 AromaticContact CE2-ND1 3.9Å; Y117-H132 AromaticContact CE2-NE2 2.99Å; Y117-H132 WeakPolarHBondContact CE2-NE2 3.36Å; Y117-H132 AromaticContact CZ-CD2 3.66Å; Y117-H132 AromaticContact CZ-CE1 3.7Å; Y117-H132 AromaticContact CZ-NE2 3.01Å; Y117-H132 PolarHBondContact OH-NE2 2.93Å; M118-H132 PolarHBondContact O-CE1 3.23Å; M118-H132 PolarHBondContact O-NE2 2.97Å
133G96.8Very high98.3Very high22 Ų2244.6 Ų44.623%0.22725%0.248CC..SBendtrans85.1172.6-17800000113.3E2 G135 A136E2-G133 WeakPolarHBondContact O-CA 3.5Å; G133-G135 PolarHBondContact O-N 2.85Å; G133-A136 WeakPolarHBondContact O-CB 3.45Å; G133-A136 PolarHBondContact O-N 3.22Å
134Y97.4Very high98.3Very high138 Ų13847.3 Ų47.354%0.54126%0.255SS..THydrogen-bonded Turntrans-64.4-24.4-174-64.9-34.6000114.2M1 A136 F137M1-Y134 HydrophobicContact CB-CD2 4.28Å; M1-Y134 HydrophobicContact CE-CD1 3.73Å; M1-Y134 HydrophobicContact CE-CD2 3.38Å; M1-Y134 HydrophobicContact CE-CE1 3.63Å; M1-Y134 HydrophobicContact CE-CE2 3.26Å; M1-Y134 HydrophobicContact CE-CG 3.59Å; M1-Y134 HydrophobicContact CG-CD2 3.72Å; M1-Y134 HydrophobicContact CG-CE2 4.39Å; M1-Y134 HydrophobicContact CG-CG 4.06Å; M1-Y134 HydrophobicContact SD-CD2 4.3Å; M1-Y134 HydrophobicContact SD-CG 4.37Å; Y134-A136 PolarHBondContact O-N 3.18Å; Y134-F137 HydrophobicContact CD1-CD2 4.29Å; Y134-F137 AromaticContact CD1-CE2 3.97Å; Y134-F137 HydrophobicContact CD1-CE2 3.97Å; Y134-F137 WeakPolarHBondContact O-CD2 3.25Å; Y134-F137 PolarHBondContact O-N 2.92Å
135G97Very high98.3Very high0 Ų053.2 Ų53.20%027%0.274CS..THydrogen-bonded Turntrans-58.6-26.8172.700000112.9Y3 G133 F137 L138 T139 L167Y3-G135 VanDerWaalsContact CE2-C 3.41Å; G133-G135 PolarHBondContact O-N 2.85Å; G135-F137 VanDerWaalsContact C-N 3.25Å; G135-F137 PolarHBondContact O-N 2.87Å; G135-L138 PolarHBondContact O-N 2.89Å; G135-T139 WeakPolarHBondContact O-CG2 3.29Å; G135-T139 PolarHBondContact O-N 2.85Å; G135-T139 PolarHBondContact O-OG1 2.84Å; G135-L167 VanDerWaalsContact CA-CD2 3.41Å
136A98Very high98.3Very high9 Ų955.8 Ų55.87%0.07427%0.274CS..Hα-helixtrans-58.8-36.2178.800000112.5A131 G133 Y134 L138 T139 L140A131-A136 HydrophobicContact CB-CB 3.59Å; G133-A136 WeakPolarHBondContact O-CB 3.45Å; G133-A136 PolarHBondContact O-N 3.22Å; Y134-A136 PolarHBondContact O-N 3.18Å; A136-L138 PolarHBondContact O-N 2.95Å; A136-T139 PolarHBondContact O-N 2.94Å; A136-L140 HydrophobicContact CB-CD1 4.06Å; A136-L140 HydrophobicContact CB-CG 4.37Å; A136-L140 WeakPolarHBondContact O-CB 3.49Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.18Å; A136-L140 PolarHBondContact O-N 2.85Å
137F98.1Very high98.3Very high163 Ų16352 Ų5272%0.71526%0.257SS*.Hα-helixtrans-62.6-26.3178.3-68.5-71000113.2Y134 G135Y134-F137 HydrophobicContact CD1-CD2 4.29Å; Y134-F137 AromaticContact CD1-CE2 3.97Å; Y134-F137 HydrophobicContact CD1-CE2 3.97Å; Y134-F137 WeakPolarHBondContact O-CD2 3.25Å; Y134-F137 PolarHBondContact O-N 2.92Å; G135-F137 VanDerWaalsContact C-N 3.25Å; G135-F137 PolarHBondContact O-N 2.87Å
138L98.1Very high98.3Very high52 Ų5254.2 Ų54.227%0.27227%0.268SS..Hα-helixtrans-92-23179.4-60.7176.5000112.3G135 A136 E166 L167 R170 F171G135-L138 PolarHBondContact O-N 2.89Å; A136-L138 PolarHBondContact O-N 2.95Å; L138-E166 HydrophobicContact CB-CG 4.27Å; L138-L167 HydrophobicContact CB-CD2 4.2Å; L138-L167 HydrophobicContact CD1-CD2 4.22Å; L138-R170 HydrophobicContact CD1-CB 4.07Å; L138-R170 HydrophobicContact CD2-CB 4.41Å; L138-F171 HydrophobicContact CD1-CB 3.71Å; L138-F171 HydrophobicContact CD1-CD2 3.91Å; L138-F171 HydrophobicContact CD1-CG 4.2Å
139T98.6Very high98.3Very high0 Ų056.1 Ų56.10%028%0.28CS..Hα-helixtrans-108.2-26.7-170.160.90000114.5Y3 G135 A136 S141 I142 L143 C163 L167Y3-T139 HydrophobicContact CE2-CG2 4.5Å; Y3-T139 VanDerWaalsContact OH-CB 3.31Å; Y3-T139 WeakPolarHBondContact OH-CB 2.9Å; Y3-T139 VanDerWaalsContact OH-CG2 3.31Å; Y3-T139 WeakPolarHBondContact OH-CG2 3.22Å; Y3-T139 PolarHBondContact OH-OG1 2.9Å; G135-T139 WeakPolarHBondContact O-CG2 3.29Å; G135-T139 PolarHBondContact O-N 2.85Å; G135-T139 PolarHBondContact O-OG1 2.84Å; A136-T139 PolarHBondContact O-N 2.94Å; T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.27Å; T139-I142 WeakPolarHBondContact O-CB 3.45Å; T139-I142 PolarHBondContact O-N 2.87Å; T139-L143 PolarHBondContact O-N 3.33Å; T139-L143 VanDerWaalsContact O-N 3.07Å; T139-C163 HydrophobicContact CG2-CB 3.72Å; T139-C163 WeakPolarHBondContact CG2-O 3.29Å; T139-L167 HydrophobicContact CG2-CD1 4.47Å; T139-L167 HydrophobicContact CG2-CD2 3.74Å; T139-L167 HydrophobicContact CG2-CG 3.91Å
140L98.7Very high98.3Very high59 Ų5960.1 Ų60.131%0.30931%0.307SS..Hα-helixtrans-60-38.6-178.1-77.4168000112.2F129 A131 A136 I142 L143 D144F129-L140 HydrophobicContact CD2-CD2 4.33Å; F129-L140 HydrophobicContact CE2-CD2 4.5Å; A131-L140 HydrophobicContact CB-CD2 4.34Å; A136-L140 HydrophobicContact CB-CD1 4.06Å; A136-L140 HydrophobicContact CB-CG 4.37Å; A136-L140 WeakPolarHBondContact O-CB 3.49Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.18Å; A136-L140 PolarHBondContact O-N 2.85Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 3.47Å; L140-L143 HydrophobicContact CD2-CD1 4.29Å; L140-L143 WeakPolarHBondContact O-CB 3.48Å; L140-L143 PolarHBondContact O-N 3.42Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L140-D144 PolarHBondContact O-N 2.97Å
141S98.6Very high98.2Very high74 Ų7460.2 Ų60.252%0.51731%0.307SS..Hα-helixtrans-65.9-29.717661.50000113.5T139 R145T139-S141 VanDerWaalsContact C-N 3.28Å; T139-S141 PolarHBondContact O-N 3.27Å; S141-R145 VanDerWaalsContact O-CB 3.27Å; S141-R145 WeakPolarHBondContact O-CB 3.19Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.1Å
142I98.8Very high98.2Very high24 Ų2462.5 Ų62.512%0.12332%0.323CS..Hα-helixtrans-70-42.2173.4-62.2176.3000109.6T139 L140 R145 Y146 L159 K162 E166T139-I142 WeakPolarHBondContact O-CB 3.45Å; T139-I142 PolarHBondContact O-N 2.87Å; L140-I142 VanDerWaalsContact C-N 3.3Å; L140-I142 PolarHBondContact O-N 3.47Å; I142-R145 PolarHBondContact O-N 3.31Å; I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.1Å; I142-Y146 VanDerWaalsContact O-CD2 3.24Å; I142-Y146 WeakPolarHBondContact O-CD2 3.16Å; I142-Y146 PolarHBondContact O-N 2.74Å; I142-Y146 VanDerWaalsContact O-N 3.17Å; I142-L159 HydrophobicContact CG2-CD1 4.02Å; I142-K162 HydrophobicContact CG2-CB 4.31Å; I142-E166 HydrophobicContact CD1-CB 3.47Å; I142-E166 VanDerWaalsContact CD1-CB 3.47Å; I142-E166 HydrophobicContact CD1-CG 3.67Å
143L98.7Very high98.1Very high0 Ų065.3 Ų65.30%033%0.333CS..Hα-helixtrans-62.5-51.4175.6-64.2170000110.7I5 I7 F129 T139 L140 R145 Y146 Y147 L159I5-L143 HydrophobicContact CD1-CD1 3.94Å; I5-L143 HydrophobicContact CD1-CD2 4.28Å; I5-L143 HydrophobicContact CG1-CD1 4.38Å; I7-L143 HydrophobicContact CD1-CD2 3.73Å; I7-L143 HydrophobicContact CG1-CD2 4.05Å; F129-L143 HydrophobicContact CB-CD1 4.23Å; F129-L143 HydrophobicContact CD2-CB 3.65Å; F129-L143 HydrophobicContact CD2-CD1 3.82Å; F129-L143 HydrophobicContact CD2-CG 4.33Å; F129-L143 HydrophobicContact CE2-CB 3.79Å; F129-L143 HydrophobicContact CG-CB 4.04Å; F129-L143 HydrophobicContact CG-CD1 4.25Å; F129-L143 HydrophobicContact CZ-CB 4.29Å; T139-L143 PolarHBondContact O-N 3.33Å; T139-L143 VanDerWaalsContact O-N 3.07Å; L140-L143 HydrophobicContact CD2-CD1 4.29Å; L140-L143 WeakPolarHBondContact O-CB 3.48Å; L140-L143 PolarHBondContact O-N 3.42Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L143-R145 PolarHBondContact O-N 2.88Å; L143-R145 VanDerWaalsContact O-N 3.14Å; L143-Y146 PolarHBondContact O-N 2.72Å; L143-Y147 WeakPolarHBondContact O-CB 3.37Å; L143-Y147 PolarHBondContact O-N 3.39Å; L143-L159 HydrophobicContact CD2-CD1 4.38Å; L143-L159 HydrophobicContact CD2-CD2 3.87Å; L143-L159 HydrophobicContact CD2-CG 3.9Å
144D98.6Very high98.1Very high114 Ų11470.4 Ų70.461%0.6135%0.351SS*.Hα-helixtrans-53-37.5175.5-71.8-35.7000112.1F129 L140F129-D144 WeakPolarHBondContact CE2-OD1 3.3Å; F129-D144 WeakPolarHBondContact CZ-OD1 3.2Å; L140-D144 PolarHBondContact O-N 2.97Å
145R98.6Very high98.2Very high171 Ų17170.4 Ų70.465%0.64535%0.35SS*.Hα-helixtrans-73.4-34.8-177.1178.759.4-172.990.1-5.8114S141 I142 L143S141-R145 VanDerWaalsContact O-CB 3.27Å; S141-R145 WeakPolarHBondContact O-CB 3.19Å; S141-R145 PolarHBondContact O-N 3.11Å; S141-R145 VanDerWaalsContact O-N 3.1Å; I142-R145 PolarHBondContact O-N 3.31Å; L143-R145 PolarHBondContact O-N 2.88Å; L143-R145 VanDerWaalsContact O-N 3.14Å
146Y98.5Very high98.2Very high106 Ų10670.4 Ų70.442%0.41635%0.35SS..Hα-helixtrans-121.2-14.6-166.4-65.2-63.2000114.8I142 L143 L159I142-Y146 HydrophobicContact CG2-CD2 3.79Å; I142-Y146 HydrophobicContact CG2-CE2 4.1Å; I142-Y146 VanDerWaalsContact O-CD2 3.24Å; I142-Y146 WeakPolarHBondContact O-CD2 3.16Å; I142-Y146 PolarHBondContact O-N 2.74Å; I142-Y146 VanDerWaalsContact O-N 3.17Å; L143-Y146 PolarHBondContact O-N 2.72Å; Y146-L159 HydrophobicContact CD2-CD1 4.12Å; Y146-L159 HydrophobicContact CG-CD1 4.31Å
147Y98.7Very high98.3Very high34 Ų3471.6 Ų71.613%0.13336%0.356CS..  trans-68.8142.7179.7176.5-93.9000111.8I7 Q8 P128 F129 L143 P149 I151I7-Y147 HydrophobicContact CG2-CD2 3.95Å; I7-Y147 HydrophobicContact CG2-CE2 3.95Å; Q8-Y147 VanDerWaalsContact O-CE2 3.25Å; Q8-Y147 WeakPolarHBondContact O-CE2 3.25Å; Q8-Y147 PolarHBondContact O-OH 2.78Å; P128-Y147 HydrophobicContact CB-CE1 3.61Å; P128-Y147 HydrophobicContact CB-CE2 4.48Å; P128-Y147 WeakPolarHBondContact CB-OH 3.37Å; P128-Y147 HydrophobicContact CG-CE1 4.35Å; F129-Y147 AromaticContact CD1-CD1 3.64Å; F129-Y147 HydrophobicContact CD1-CD1 3.64Å; F129-Y147 AromaticContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CD2 3.71Å; F129-Y147 HydrophobicContact CD1-CE1 4.06Å; F129-Y147 HydrophobicContact CD1-CE2 4.11Å; F129-Y147 AromaticContact CD1-CG 3.45Å; F129-Y147 HydrophobicContact CD1-CG 3.45Å; F129-Y147 VanDerWaalsContact CD1-CG 3.45Å; F129-Y147 AromaticContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD1 3.5Å; F129-Y147 VanDerWaalsContact CE1-CD1 3.5Å; F129-Y147 HydrophobicContact CE1-CD2 4.33Å; F129-Y147 HydrophobicContact CE1-CE1 4.16Å; F129-Y147 AromaticContact CE1-CG 3.6Å; F129-Y147 HydrophobicContact CE1-CG 3.6Å; L143-Y147 WeakPolarHBondContact O-CB 3.37Å; L143-Y147 PolarHBondContact O-N 3.39Å; Y147-P149 HydrophobicContact CE1-CG 4.33Å; Y147-I151 HydrophobicContact CD2-CG2 4.21Å; Y147-I151 HydrophobicContact CE2-CG2 3.91Å
148T98.1Very high98.3Very high67 Ų6767.8 Ų67.841%0.41134%0.341SS..  trans-136.6149.3164.459.30000109.3T150 I151T148-T150 PolarHBondContact O-N 3.36Å; T148-I151 VanDerWaalsContact O-CB 3.29Å; T148-I151 WeakPolarHBondContact O-CB 3.46Å; T148-I151 WeakPolarHBondContact O-CG2 3.46Å; T148-I151 PolarHBondContact O-N 3.05Å
149P97.7Very high98.3Very high97 Ų9765.6 Ų65.663%0.6333%0.329SS*.THydrogen-bonded Turntrans-58.2-21.8177.6-26.935.7000114.4P10 Y147P10-P149 WeakPolarHBondContact CG-O 3.13Å; Y147-P149 HydrophobicContact CE1-CG 4.33Å
150T98.2Very high98.3Very high115 Ų11565.7 Ų65.771%0.70633%0.33SS*.THydrogen-bonded Turntrans-98.113.5-179.454.60000113.9T148 S152T148-T150 PolarHBondContact O-N 3.36Å; T150-S152 PolarHBondContact O-N 2.93Å
151I98.1Very high98.3Very high7 Ų766.8 Ų66.84%0.03633%0.33CS..  trans-59.3126.4-176.8-169.3169.9000111.8P10 Y12 Y147 T148 R155 A156 L159P10-I151 WeakPolarHBondContact CD-O 3.5Å; Y12-I151 WeakPolarHBondContact CE1-O 3.5Å; Y12-I151 PolarHBondContact OH-O 3.14Å; Y147-I151 HydrophobicContact CD2-CG2 4.21Å; Y147-I151 HydrophobicContact CE2-CG2 3.91Å; T148-I151 VanDerWaalsContact O-CB 3.29Å; T148-I151 WeakPolarHBondContact O-CB 3.46Å; T148-I151 WeakPolarHBondContact O-CG2 3.46Å; T148-I151 PolarHBondContact O-N 3.05Å; I151-R155 HydrophobicContact CD1-CB 4.39Å; I151-R155 HydrophobicContact CD1-CG 4.1Å; I151-R155 HydrophobicContact CG1-CB 3.81Å; I151-R155 HydrophobicContact CG1-CG 3.87Å; I151-A156 HydrophobicContact CD1-CB 4.12Å; I151-A156 HydrophobicContact CG1-CB 4.26Å; I151-L159 HydrophobicContact CD1-CB 4.35Å; I151-L159 HydrophobicContact CD1-CD2 3.76Å
152S98.1Very high98.2Very high55 Ų5566.7 Ų66.739%0.38532%0.32SS..  trans-70.6158.8175.987.90000111.4Y12 T150 E154 R155 A156Y12-S152 PolarHBondContact OH-O 3.4Å; T150-S152 PolarHBondContact O-N 2.93Å; S152-E154 VanDerWaalsContact C-N 3.29Å; S152-E154 VanDerWaalsContact CB-OE2 3.3Å; S152-E154 WeakPolarHBondContact CB-OE2 3.33Å; S152-E154 PolarHBondContact O-N 2.82Å; S152-E154 PolarHBondContact OG-OE2 2.73Å; S152-R155 PolarHBondContact O-N 3.24Å; S152-R155 VanDerWaalsContact O-N 3.11Å; S152-R155 PolarHBondContact OG-N 2.76Å; S152-A156 PolarHBondContact O-N 3.34Å
153R97.3Very high98.2Very high64 Ų6465.5 Ų65.524%0.24231%0.314CS..Hα-helixtrans-55.8-45.2-179-64.6179.9175.6-154.82.6112.1D11 Y12 R155 A156 V157 I182 D184D11-R153 IonicContact OD2-CZ 3.44Å; D11-R153 IonicContact OD2-NE 3.72Å; D11-R153 IonicContact OD2-NH2 3.96Å; D11-R153 PolarHBondContact OD2-NH2 3.43Å; Y12-R153 HydrophobicContact CD1-CG 3.4Å; Y12-R153 HydrophobicContact CD2-CG 4.17Å; Y12-R153 HydrophobicContact CE1-CB 4.28Å; Y12-R153 HydrophobicContact CE1-CG 3.43Å; Y12-R153 VanDerWaalsContact CE1-CG 3.43Å; Y12-R153 HydrophobicContact CE2-CG 4.2Å; Y12-R153 HydrophobicContact CG-CG 3.79Å; Y12-R153 PolarHBondContact OH-N 3.46Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.13Å; R153-A156 PolarHBondContact O-N 2.72Å; R153-V157 WeakPolarHBondContact O-CG2 3.19Å; R153-V157 PolarHBondContact O-N 2.9Å; R153-I182 HydrophobicContact CB-CD1 4.16Å; R153-I182 HydrophobicContact CG-CD1 3.77Å; R153-D184 IonicContact CZ-OD2 3.68Å; R153-D184 IonicContact NH1-OD2 2.67Å; R153-D184 PolarHBondContact NH1-OD2 2.72Å; R153-D184 IonicContact NH2-OD2 2.74Å; R153-D184 PolarHBondContact NH2-OD2 3.23Å
154E97.3Very high98.2Very high130 Ų13065.5 Ų65.561%0.60731%0.314SS*.Hα-helixtrans-63.1-43.5179.5-52.870.5-149.800110.1S152 A156 V157 E158S152-E154 VanDerWaalsContact C-N 3.29Å; S152-E154 VanDerWaalsContact CB-OE2 3.3Å; S152-E154 WeakPolarHBondContact CB-OE2 3.33Å; S152-E154 PolarHBondContact O-N 2.82Å; S152-E154 PolarHBondContact OG-OE2 2.73Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.87Å; E154-V157 PolarHBondContact O-N 2.95Å; E154-E158 PolarHBondContact O-N 2.91Å
155R97.9Very high98.1Very high138 Ų13864.6 Ų64.652%0.52131%0.306SS..Hα-helixtrans-69.6-32.9179.1-169.756.2172-170.4-2.7112.4I151 S152 R153 E158 L159I151-R155 HydrophobicContact CD1-CB 4.39Å; I151-R155 HydrophobicContact CD1-CG 4.1Å; I151-R155 HydrophobicContact CG1-CB 3.81Å; I151-R155 HydrophobicContact CG1-CG 3.87Å; S152-R155 PolarHBondContact O-N 3.24Å; S152-R155 VanDerWaalsContact O-N 3.11Å; S152-R155 PolarHBondContact OG-N 2.76Å; R153-R155 VanDerWaalsContact C-N 3.33Å; R153-R155 PolarHBondContact O-N 3.13Å; R155-E158 PolarHBondContact O-N 3.01Å; R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 PolarHBondContact O-N 3.48Å
156A98.5Very high98.1Very high0 Ų058.4 Ų58.40%028%0.284CS..Hα-helixtrans-68.1-38.6173.600000112.2I7 Y12 L14 I151 S152 R153 E154 L159 L160I7-A156 HydrophobicContact CG2-CB 4.36Å; Y12-A156 HydrophobicContact CE2-CB 3.93Å; Y12-A156 WeakPolarHBondContact OH-CB 3.4Å; L14-A156 HydrophobicContact CD2-CB 3.93Å; I151-A156 HydrophobicContact CD1-CB 4.12Å; I151-A156 HydrophobicContact CG1-CB 4.26Å; S152-A156 PolarHBondContact O-N 3.34Å; R153-A156 PolarHBondContact O-N 2.72Å; E154-A156 VanDerWaalsContact C-N 3.34Å; E154-A156 PolarHBondContact O-N 2.87Å; A156-L159 PolarHBondContact O-N 2.63Å; A156-L160 WeakPolarHBondContact O-CB 3.45Å; A156-L160 PolarHBondContact O-N 3.01Å
157V98.3Very high98.1Very high34 Ų3453.4 Ų53.421%0.20627%0.265CS..Hα-helixtrans-64-41.1172.9173.40000111.2L14 R153 E154 L160 R161 L191L14-V157 HydrophobicContact CD1-CG2 4.16Å; L14-V157 HydrophobicContact CD2-CG2 3.98Å; R153-V157 WeakPolarHBondContact O-CG2 3.19Å; R153-V157 PolarHBondContact O-N 2.9Å; E154-V157 PolarHBondContact O-N 2.95Å; V157-L160 WeakPolarHBondContact O-CB 3.46Å; V157-L160 PolarHBondContact O-N 3.42Å; V157-R161 PolarHBondContact O-N 2.7Å; V157-L191 HydrophobicContact CG2-CD1 4.17Å
158E98.2Very high98Very high83 Ų8353.5 Ų53.539%0.38827%0.267SS..Hα-helixtrans-67.2-36.3174.3-71.9-58117.600112.8E154 R155 R161 K162E154-E158 PolarHBondContact O-N 2.91Å; R155-E158 PolarHBondContact O-N 3.01Å; E158-R161 WeakPolarHBondContact O-CB 3.34Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 IonicContact OE1-NE 2.62Å; E158-R161 PolarHBondContact OE1-NE 3.38Å; E158-K162 WeakPolarHBondContact O-CG 3.49Å; E158-K162 PolarHBondContact O-N 2.78Å; E158-K162 VanDerWaalsContact O-N 3.07Å
159L98.6Very high97.9Very high5 Ų557.5 Ų57.53%0.02628%0.278CS..Hα-helixtrans-65.5-42.517317855.6000111.6I7 I142 L143 Y146 I151 R155 A156 R161 K162 C163I7-L159 HydrophobicContact CD1-CD2 4.43Å; I7-L159 HydrophobicContact CD1-CG 4.37Å; I142-L159 HydrophobicContact CG2-CD1 4.02Å; L143-L159 HydrophobicContact CD2-CD1 4.38Å; L143-L159 HydrophobicContact CD2-CD2 3.87Å; L143-L159 HydrophobicContact CD2-CG 3.9Å; Y146-L159 HydrophobicContact CD2-CD1 4.12Å; Y146-L159 HydrophobicContact CG-CD1 4.31Å; I151-L159 HydrophobicContact CD1-CB 4.35Å; I151-L159 HydrophobicContact CD1-CD2 3.76Å; R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 PolarHBondContact O-N 3.48Å; A156-L159 PolarHBondContact O-N 2.63Å; L159-R161 VanDerWaalsContact C-N 3.35Å; L159-K162 WeakPolarHBondContact O-CB 3.43Å; L159-K162 PolarHBondContact O-N 3.23Å; L159-C163 PolarHBondContact O-N 3.09Å; L159-C163 VanDerWaalsContact O-N 3.11Å; L159-C163 PolarHBondContact O-SG 3.17Å
160L98.6Very high97.8Very high2 Ų259 Ų591%0.0127%0.271CS..Hα-helixtrans-57.6-48.7172171.163.4000110.3I5 I7 L14 A16 A156 V157 K162 C163 L164 V180 I194I5-L160 HydrophobicContact CD1-CD1 4.04Å; I5-L160 HydrophobicContact CG2-CD1 3.51Å; I7-L160 HydrophobicContact CD1-CB 4.31Å; L14-L160 HydrophobicContact CD2-CB 4.1Å; L14-L160 HydrophobicContact CD2-CD2 4.01Å; L14-L160 HydrophobicContact CG-CD2 4.36Å; A16-L160 HydrophobicContact CB-CD1 3.87Å; A16-L160 HydrophobicContact CB-CD2 3.82Å; A16-L160 HydrophobicContact CB-CG 4.48Å; A156-L160 WeakPolarHBondContact O-CB 3.45Å; A156-L160 PolarHBondContact O-N 3.01Å; V157-L160 WeakPolarHBondContact O-CB 3.46Å; V157-L160 PolarHBondContact O-N 3.42Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 3.02Å; L160-C163 WeakPolarHBondContact O-CA 3.26Å; L160-C163 WeakPolarHBondContact O-CB 3.35Å; L160-C163 PolarHBondContact O-N 3.04Å; L160-L164 HydrophobicContact CD1-CD1 4.03Å; L160-L164 HydrophobicContact CD1-CD2 4.17Å; L160-L164 HydrophobicContact CD1-CG 3.94Å; L160-L164 HydrophobicContact CG-CD1 4.03Å; L160-L164 HydrophobicContact CG-CG 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.01Å; L160-L164 PolarHBondContact O-N 3.4Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 4.09Å; L160-I194 HydrophobicContact CD2-CD1 3.83Å; L160-I194 HydrophobicContact CG-CD1 4.03Å
161R98.2Very high97.8Very high82 Ų8254.9 Ų54.931%0.30924%0.244SC..Hα-helixtrans-53.8-46.2177.1-175.8-177.8-59.3-71.1-3.3112V157 E158 L159 C163 L164 E165V157-R161 PolarHBondContact O-N 2.7Å; E158-R161 WeakPolarHBondContact O-CB 3.34Å; E158-R161 PolarHBondContact O-N 2.92Å; E158-R161 IonicContact OE1-NE 2.62Å; E158-R161 PolarHBondContact OE1-NE 3.38Å; L159-R161 VanDerWaalsContact C-N 3.35Å; R161-C163 VanDerWaalsContact C-N 3.32Å; R161-C163 PolarHBondContact O-N 3.44Å; R161-L164 PolarHBondContact O-N 3.29Å; R161-L164 VanDerWaalsContact O-N 3.17Å; R161-E165 HydrophobicContact CG-CG 4.44Å; R161-E165 WeakPolarHBondContact CG-OE1 3.43Å; R161-E165 WeakPolarHBondContact O-CB 3.46Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.47Å
162K98.2Very high97.7Very high72 Ų7262.1 Ų62.131%0.31328%0.281SS..Hα-helixtrans-58.6-41.1175-71.3-179.2176.6-159.60113.1I142 E158 L159 L160 E166I142-K162 HydrophobicContact CG2-CB 4.31Å; E158-K162 WeakPolarHBondContact O-CG 3.49Å; E158-K162 PolarHBondContact O-N 2.78Å; E158-K162 VanDerWaalsContact O-N 3.07Å; L159-K162 WeakPolarHBondContact O-CB 3.43Å; L159-K162 PolarHBondContact O-N 3.23Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 3.02Å; K162-E166 PolarHBondContact O-N 3.23Å; K162-E166 VanDerWaalsContact O-N 3.08Å
163C98.6Very high97.5Very high0 Ų063 Ų630%028%0.281CS..Hα-helixtrans-63-45.6176.1-64.30000110.7I5 T139 L159 L160 R161 E166 L167I5-C163 HydrophobicContact CD1-CB 4.11Å; T139-C163 HydrophobicContact CG2-CB 3.72Å; T139-C163 WeakPolarHBondContact CG2-O 3.29Å; L159-C163 PolarHBondContact O-N 3.09Å; L159-C163 VanDerWaalsContact O-N 3.11Å; L159-C163 PolarHBondContact O-SG 3.17Å; L160-C163 WeakPolarHBondContact O-CA 3.26Å; L160-C163 WeakPolarHBondContact O-CB 3.35Å; L160-C163 PolarHBondContact O-N 3.04Å; R161-C163 VanDerWaalsContact C-N 3.32Å; R161-C163 PolarHBondContact O-N 3.44Å; C163-E166 WeakPolarHBondContact O-CB 3.34Å; C163-E166 PolarHBondContact O-N 3.28Å; C163-L167 PolarHBondContact O-N 3.48Å; C163-L167 VanDerWaalsContact O-N 3.15Å
164L98.1Very high97.3Very high0 Ų064.4 Ų64.40%029%0.293CS..Hα-helixtrans-69-35.4-179-58.2-179.2000112.6Y3 L160 R161 E166 L167 Q168 F178 I194 F196Y3-L164 HydrophobicContact CD1-CD2 4.3Å; Y3-L164 HydrophobicContact CE1-CD2 3.8Å; L160-L164 HydrophobicContact CD1-CD1 4.03Å; L160-L164 HydrophobicContact CD1-CD2 4.17Å; L160-L164 HydrophobicContact CD1-CG 3.94Å; L160-L164 HydrophobicContact CG-CD1 4.03Å; L160-L164 HydrophobicContact CG-CG 4.3Å; L160-L164 WeakPolarHBondContact O-CG 3.01Å; L160-L164 PolarHBondContact O-N 3.4Å; R161-L164 PolarHBondContact O-N 3.29Å; R161-L164 VanDerWaalsContact O-N 3.17Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-L167 HydrophobicContact CD2-CD1 4.13Å; L164-L167 WeakPolarHBondContact O-CB 3.34Å; L164-L167 PolarHBondContact O-N 2.83Å; L164-Q168 WeakPolarHBondContact O-CG 3.14Å; L164-Q168 PolarHBondContact O-N 3.48Å; L164-Q168 PolarHBondContact O-NE2 3.44Å; L164-F178 HydrophobicContact CB-CD2 4.46Å; L164-F178 HydrophobicContact CB-CE2 4.29Å; L164-F178 HydrophobicContact CD1-CB 3.99Å; L164-F178 HydrophobicContact CD1-CD1 4.43Å; L164-F178 HydrophobicContact CD1-CD2 3.74Å; L164-F178 HydrophobicContact CD1-CE2 4.36Å; L164-F178 HydrophobicContact CD1-CG 3.79Å; L164-F178 HydrophobicContact CD2-CD1 3.64Å; L164-F178 HydrophobicContact CD2-CD2 4Å; L164-F178 HydrophobicContact CD2-CE1 3.64Å; L164-F178 HydrophobicContact CD2-CE2 3.99Å; L164-F178 HydrophobicContact CD2-CG 3.84Å; L164-F178 HydrophobicContact CD2-CZ 3.82Å; L164-F178 HydrophobicContact CG-CD2 4.27Å; L164-F178 HydrophobicContact CG-CE2 4.43Å; L164-F178 HydrophobicContact CG-CG 4.39Å; L164-I194 HydrophobicContact CD1-CB 3.83Å; L164-I194 HydrophobicContact CD1-CD1 3.78Å; L164-I194 HydrophobicContact CD1-CG1 4.4Å; L164-I194 HydrophobicContact CD1-CG2 3.75Å; L164-F196 HydrophobicContact CB-CE2 3.65Å; L164-F196 HydrophobicContact CB-CZ 3.72Å
165E97.5Very high97.3Very high94 Ų9458.4 Ų58.444%0.43927%0.265SS..Hα-helixtrans-61.9-39.4170.8-76.3172.3-171.600112.1R161 L167 Q168 K169 F196R161-E165 HydrophobicContact CG-CG 4.44Å; R161-E165 WeakPolarHBondContact CG-OE1 3.43Å; R161-E165 WeakPolarHBondContact O-CB 3.46Å; R161-E165 WeakPolarHBondContact O-CG 3.41Å; R161-E165 PolarHBondContact O-N 3.47Å; E165-L167 VanDerWaalsContact C-N 3.31Å; E165-L167 PolarHBondContact O-N 3.31Å; E165-Q168 PolarHBondContact O-N 2.99Å; E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 PolarHBondContact O-N 3Å; E165-F196 HydrophobicContact CG-CE1 3.59Å; E165-F196 HydrophobicContact CG-CZ 3.98Å
166E98.1Very high97.1Very high41 Ų4152 Ų5219%0.19224%0.242CC..Hα-helixtrans-62.3-41.6175-173.562.3-145.500111.2L138 I142 K162 C163 L164 K169 R170L138-E166 HydrophobicContact CB-CG 4.27Å; I142-E166 HydrophobicContact CD1-CB 3.47Å; I142-E166 VanDerWaalsContact CD1-CB 3.47Å; I142-E166 HydrophobicContact CD1-CG 3.67Å; K162-E166 PolarHBondContact O-N 3.23Å; K162-E166 VanDerWaalsContact O-N 3.08Å; C163-E166 WeakPolarHBondContact O-CB 3.34Å; C163-E166 PolarHBondContact O-N 3.28Å; L164-E166 VanDerWaalsContact C-N 3.34Å; E166-K169 PolarHBondContact O-N 2.77Å; E166-R170 VanDerWaalsContact CD-CZ 3.48Å; E166-R170 PolarHBondContact O-N 3.1Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.44Å; E166-R170 VanDerWaalsContact OE1-CG 3.25Å; E166-R170 WeakPolarHBondContact OE1-CG 3.24Å; E166-R170 IonicContact OE1-CZ 2.97Å; E166-R170 IonicContact OE1-NE 3.15Å; E166-R170 PolarHBondContact OE1-NE 2.76Å; E166-R170 VanDerWaalsContact OE1-NE 3.15Å; E166-R170 IonicContact OE1-NH1 2.97Å; E166-R170 PolarHBondContact OE1-NH1 2.73Å; E166-R170 IonicContact OE1-NH2 3.21Å; E166-R170 IonicContact OE2-CZ 3.21Å; E166-R170 IonicContact OE2-NH1 2.64Å; E166-R170 PolarHBondContact OE2-NH1 2.95Å; E166-R170 IonicContact OE2-NH2 3.61Å; E166-R170 PolarHBondContact OE2-NH2 2.97Å
167L97.6Very high97.1Very high2 Ų253.2 Ų53.21%0.0125%0.249CC..Hα-helixtrans-58.5-48.5173-60.8-178.1000111.1Y3 G135 L138 T139 C163 L164 E165 K169 R170 F171 F178Y3-L167 HydrophobicContact CD1-CD1 3.6Å; Y3-L167 HydrophobicContact CD2-CD1 4.21Å; Y3-L167 HydrophobicContact CE1-CD1 3.55Å; Y3-L167 HydrophobicContact CE2-CD1 4.17Å; Y3-L167 HydrophobicContact CG-CD1 3.91Å; G135-L167 VanDerWaalsContact CA-CD2 3.41Å; L138-L167 HydrophobicContact CB-CD2 4.2Å; L138-L167 HydrophobicContact CD1-CD2 4.22Å; T139-L167 HydrophobicContact CG2-CD1 4.47Å; T139-L167 HydrophobicContact CG2-CD2 3.74Å; T139-L167 HydrophobicContact CG2-CG 3.91Å; C163-L167 PolarHBondContact O-N 3.48Å; C163-L167 VanDerWaalsContact O-N 3.15Å; L164-L167 HydrophobicContact CD2-CD1 4.13Å; L164-L167 WeakPolarHBondContact O-CB 3.34Å; L164-L167 PolarHBondContact O-N 2.83Å; E165-L167 VanDerWaalsContact C-N 3.31Å; E165-L167 PolarHBondContact O-N 3.31Å; L167-K169 PolarHBondContact O-N 3.45Å; L167-K169 VanDerWaalsContact O-N 3.17Å; L167-R170 PolarHBondContact O-N 2.81Å; L167-F171 HydrophobicContact CB-CB 4.22Å; L167-F171 HydrophobicContact CD2-CB 4.23Å; L167-F171 HydrophobicContact CD2-CG 4.41Å; L167-F171 WeakPolarHBondContact O-CA 3.49Å; L167-F171 WeakPolarHBondContact O-CB 3.25Å; L167-F171 PolarHBondContact O-N 2.92Å; L167-F178 HydrophobicContact CD1-CE1 4.23Å; L167-F178 HydrophobicContact CD1-CZ 4.11Å
168Q96.6Very high97.1Very high36 Ų3651.6 Ų51.617%0.16824%0.239CC..Hα-helixtrans-60.3-30.5179.3-59.7-39.7-65.900113.4L164 E165 L175 F196 Q199L164-Q168 WeakPolarHBondContact O-CG 3.14Å; L164-Q168 PolarHBondContact O-N 3.48Å; L164-Q168 PolarHBondContact O-NE2 3.44Å; E165-Q168 PolarHBondContact O-N 2.99Å; Q168-L175 PolarHBondContact NE2-O 2.91Å; Q168-L175 PolarHBondContact OE1-O 3.48Å; Q168-F196 HydrophobicContact CG-CB 3.94Å; Q168-F196 HydrophobicContact CG-CD1 3.81Å; Q168-F196 HydrophobicContact CG-CD2 3.47Å; Q168-F196 VanDerWaalsContact CG-CD2 3.47Å; Q168-F196 HydrophobicContact CG-CE1 4.17Å; Q168-F196 HydrophobicContact CG-CE2 3.86Å; Q168-F196 HydrophobicContact CG-CG 3.44Å; Q168-F196 VanDerWaalsContact CG-CG 3.44Å; Q168-F196 HydrophobicContact CG-CZ 4.19Å; Q168-Q199 PolarHBondContact O-NE2 3.43Å; Q168-Q199 VanDerWaalsContact O-NE2 3.17Å
169K96.2Very high97.1Very high151 Ų15148 Ų4866%0.65722%0.223SC*.Hα-helixtrans-90-30.7-174.2-173.6168.7151.270.50113.2E165 E166 L167E165-K169 WeakPolarHBondContact O-CB 3.46Å; E165-K169 PolarHBondContact O-N 3Å; E166-K169 PolarHBondContact O-N 2.77Å; L167-K169 PolarHBondContact O-N 3.45Å; L167-K169 VanDerWaalsContact O-N 3.17Å
170R96.8Very high97.1Very high127 Ų12748 Ų4848%0.47922%0.223SC..Hα-helixtrans-124.2-23.4-171.2-85.656151.1-123.4-8.4114.1L138 E166 L167L138-R170 HydrophobicContact CD1-CB 4.07Å; L138-R170 HydrophobicContact CD2-CB 4.41Å; E166-R170 VanDerWaalsContact CD-CZ 3.48Å; E166-R170 PolarHBondContact O-N 3.1Å; E166-R170 VanDerWaalsContact OE1-CD 3.27Å; E166-R170 WeakPolarHBondContact OE1-CD 3.44Å; E166-R170 VanDerWaalsContact OE1-CG 3.25Å; E166-R170 WeakPolarHBondContact OE1-CG 3.24Å; E166-R170 IonicContact OE1-CZ 2.97Å; E166-R170 IonicContact OE1-NE 3.15Å; E166-R170 PolarHBondContact OE1-NE 2.76Å; E166-R170 VanDerWaalsContact OE1-NE 3.15Å; E166-R170 IonicContact OE1-NH1 2.97Å; E166-R170 PolarHBondContact OE1-NH1 2.73Å; E166-R170 IonicContact OE1-NH2 3.21Å; E166-R170 IonicContact OE2-CZ 3.21Å; E166-R170 IonicContact OE2-NH1 2.64Å; E166-R170 PolarHBondContact OE2-NH1 2.95Å; E166-R170 IonicContact OE2-NH2 3.61Å; E166-R170 PolarHBondContact OE2-NH2 2.97Å; L167-R170 PolarHBondContact O-N 2.81Å
171F96.7Very high97.1Very high30 Ų3049.6 Ų49.613%0.13223%0.229CC..  trans-78.5133.1-177.1-164.7-134.8000110.3M1 L138 L167 L173 L175M1-F171 HydrophobicContact CG-CZ 4.44Å; L138-F171 HydrophobicContact CD1-CB 3.71Å; L138-F171 HydrophobicContact CD1-CD2 3.91Å; L138-F171 HydrophobicContact CD1-CG 4.2Å; L167-F171 HydrophobicContact CB-CB 4.22Å; L167-F171 HydrophobicContact CD2-CB 4.23Å; L167-F171 HydrophobicContact CD2-CG 4.41Å; L167-F171 WeakPolarHBondContact O-CA 3.49Å; L167-F171 WeakPolarHBondContact O-CB 3.25Å; L167-F171 PolarHBondContact O-N 2.92Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 HydrophobicContact CD1-CB 3.99Å; F171-L173 HydrophobicContact CE1-CB 3.64Å; F171-L173 HydrophobicContact CE1-CD1 3.91Å; F171-L173 HydrophobicContact CE1-CG 3.96Å; F171-L173 HydrophobicContact CZ-CB 4.2Å; F171-L173 HydrophobicContact CZ-CD1 3.79Å; F171-L173 HydrophobicContact CZ-CG 3.98Å; F171-L173 PolarHBondContact O-N 3.32Å; F171-L175 HydrophobicContact CD1-CD1 4.04Å; F171-L175 HydrophobicContact CD1-CG 4.49Å; F171-L175 HydrophobicContact CE1-CD1 3.8Å; F171-L175 HydrophobicContact CE1-CG 4.41Å
172I95.9Very high97.1Very high159 Ų15946.1 Ų46.182%0.81522%0.217SC*.SBendtrans-72.3-20.1-173.7-167.159.3000113.4
173L94.6Very high97.1Very high74 Ų7442.7 Ų42.739%0.38720%0.202SC..SBendtrans-93.6141.3-179.8-55.9-178.3000111.2M1 F171 L175M1-L173 HydrophobicContact CB-CD1 3.6Å; M1-L173 HydrophobicContact CG-CD1 4.39Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 HydrophobicContact CD1-CB 3.99Å; F171-L173 HydrophobicContact CE1-CB 3.64Å; F171-L173 HydrophobicContact CE1-CD1 3.91Å; F171-L173 HydrophobicContact CE1-CG 3.96Å; F171-L173 HydrophobicContact CZ-CB 4.2Å; F171-L173 HydrophobicContact CZ-CD1 3.79Å; F171-L173 HydrophobicContact CZ-CG 3.98Å; F171-L173 PolarHBondContact O-N 3.32Å; L173-L175 PolarHBondContact O-N 3.48Å
174N93.6Very high97.1Very high93 Ų9342.9 Ų42.950%0.49720%0.203SC..  trans-76.6105.1176.6-176.918.5000111.1
175L96.1Very high97.1Very high4 Ų449 Ų492%0.02123%0.229CC..  trans-122.681.3174.8-62-177.2000109.5D18 V20 Q168 F171 L173 F178D18-L175 HydrophobicContact CB-CB 4.46Å; D18-L175 HydrophobicContact CB-CD1 4.06Å; D18-L175 HydrophobicContact CB-CD2 4.02Å; D18-L175 HydrophobicContact CB-CG 4.42Å; V20-L175 HydrophobicContact CB-CD2 3.95Å; V20-L175 HydrophobicContact CG2-CD2 3.81Å; Q168-L175 PolarHBondContact NE2-O 2.91Å; Q168-L175 PolarHBondContact OE1-O 3.48Å; F171-L175 HydrophobicContact CD1-CD1 4.04Å; F171-L175 HydrophobicContact CD1-CG 4.49Å; F171-L175 HydrophobicContact CE1-CD1 3.8Å; F171-L175 HydrophobicContact CE1-CG 4.41Å; L173-L175 PolarHBondContact O-N 3.48Å; L175-F178 HydrophobicContact CB-CE1 4.27Å; L175-F178 HydrophobicContact CB-CE2 4.48Å; L175-F178 HydrophobicContact CB-CZ 3.7Å; L175-F178 HydrophobicContact CD1-CE1 4.47Å; L175-F178 WeakPolarHBondContact O-CE2 3.29Å; L175-F178 VanDerWaalsContact O-CZ 3.32Å; L175-F178 WeakPolarHBondContact O-CZ 3.26Å
176P94.9Very high97.1Very high4 Ų450 Ų503%0.02624%0.238CC..  trans-80.7-22.7-167.430.4-35.1000114.1S195 F196P176-S195 CarbonylContact O-C 3.13Å; P176-S195 WeakPolarHBondContact O-CA 3.44Å; P176-F196 PolarHBondContact O-N 3.34Å
177T97.4Very high97.1Very high25 Ų2548.3 Ų48.315%0.15323%0.231CC..EExtended strand (participates in β ladder)trans-137.8144.4-172.361.10000111.6R19 D30 I194 S195R19-T177 PolarHBondContact N-O 3.45Å; D30-T177 PolarHBondContact O-OG1 3.06Å; T177-I194 WeakPolarHBondContact CA-O 3.25Å; T177-S195 WeakPolarHBondContact CG2-OG 3.23Å
178F98.4Very high97.1Very high0 Ų050.1 Ų50.10%024%0.241CC..EExtended strand (participates in β ladder)trans-134.1132.8-176.9-59.5-95.5000110.6Y3 S17 D18 L164 L167 L175 N193 I194 F196Y3-F178 HydrophobicContact CD1-CD1 4.31Å; Y3-F178 AromaticContact CD1-CE1 3.83Å; Y3-F178 HydrophobicContact CD1-CE1 3.83Å; S17-F178 CarbonylContact O-C 3.56Å; S17-F178 VanDerWaalsContact O-CA 3.28Å; S17-F178 WeakPolarHBondContact O-CA 3.34Å; D18-F178 VanDerWaalsContact CA-CD1 3.46Å; D18-F178 HydrophobicContact CB-CD1 3.83Å; D18-F178 HydrophobicContact CB-CE1 3.64Å; L164-F178 HydrophobicContact CB-CD2 4.46Å; L164-F178 HydrophobicContact CB-CE2 4.29Å; L164-F178 HydrophobicContact CD1-CB 3.99Å; L164-F178 HydrophobicContact CD1-CD1 4.43Å; L164-F178 HydrophobicContact CD1-CD2 3.74Å; L164-F178 HydrophobicContact CD1-CE2 4.36Å; L164-F178 HydrophobicContact CD1-CG 3.79Å; L164-F178 HydrophobicContact CD2-CD1 3.64Å; L164-F178 HydrophobicContact CD2-CD2 4Å; L164-F178 HydrophobicContact CD2-CE1 3.64Å; L164-F178 HydrophobicContact CD2-CE2 3.99Å; L164-F178 HydrophobicContact CD2-CG 3.84Å; L164-F178 HydrophobicContact CD2-CZ 3.82Å; L164-F178 HydrophobicContact CG-CD2 4.27Å; L164-F178 HydrophobicContact CG-CE2 4.43Å; L164-F178 HydrophobicContact CG-CG 4.39Å; L167-F178 HydrophobicContact CD1-CE1 4.23Å; L167-F178 HydrophobicContact CD1-CZ 4.11Å; L175-F178 HydrophobicContact CB-CE1 4.27Å; L175-F178 HydrophobicContact CB-CE2 4.48Å; L175-F178 HydrophobicContact CB-CZ 3.7Å; L175-F178 HydrophobicContact CD1-CE1 4.47Å; L175-F178 WeakPolarHBondContact O-CE2 3.29Å; L175-F178 VanDerWaalsContact O-CZ 3.32Å; L175-F178 WeakPolarHBondContact O-CZ 3.26Å; F178-N193 VanDerWaalsContact O-CA 3.26Å; F178-N193 WeakPolarHBondContact O-CA 3.4Å; F178-N193 WeakPolarHBondContact O-CB 3.27Å; F178-N193 PolarHBondContact O-OD1 2.88Å; F178-I194 PolarHBondContact N-O 2.91Å; F178-I194 PolarHBondContact O-N 3.05Å; F178-I194 VanDerWaalsContact O-N 3.12Å; F178-F196 HydrophobicContact CD2-CE2 4.32Å; F178-F196 HydrophobicContact CE2-CD2 4.32Å; F178-F196 HydrophobicContact CE2-CE2 4.11Å
179S98.5Very high97.2Very high6 Ų651.6 Ų51.64%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-76.2136.1168.5-67.50000109.2A16 S17 R19 M35 N193A16-S179 CarbonylContact C-O 3.57Å; A16-S179 WeakPolarHBondContact CA-O 3.42Å; A16-S179 WeakPolarHBondContact CB-O 3.44Å; S17-S179 PolarHBondContact N-O 3.21Å; S17-S179 PolarHBondContact O-N 3.14Å; R19-S179 WeakPolarHBondContact CD-OG 3.41Å; R19-S179 WeakPolarHBondContact CG-OG 3.38Å; R19-S179 PolarHBondContact NE-OG 3.42Å; M35-S179 VanDerWaalsContact CE-O 3.3Å; M35-S179 WeakPolarHBondContact CE-O 3.4Å; S179-N193 WeakPolarHBondContact CA-OD1 3.42Å
180V98.7Very high97.3Very high5 Ų549.9 Ų49.93%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-130.8130.4-177-170.80000109.5L14 V15 A16 L160 L191 I194L14-V180 HydrophobicContact CD1-CG1 3.64Å; V15-V180 WeakPolarHBondContact O-CA 3.37Å; A16-V180 HydrophobicContact CB-CG2 4.1Å; L160-V180 HydrophobicContact CD2-CG1 3.78Å; L160-V180 HydrophobicContact CD2-CG2 4.09Å; V180-L191 HydrophobicContact CB-CB 4.2Å; V180-L191 HydrophobicContact CG1-CB 4.2Å; V180-L191 HydrophobicContact CG1-CD1 4.02Å; V180-L191 PolarHBondContact O-N 2.89Å; V180-I194 HydrophobicContact CG2-CB 4.48Å; V180-I194 HydrophobicContact CG2-CD1 3.98Å; V180-I194 HydrophobicContact CG2-CG1 3.96Å
181R98.7Very high97.3Very high37 Ų3746.9 Ų46.914%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-136.6150177.5-62.5-174.2171.7101-0.5110.7V15 D33 M35 L43 H189 D190V15-R181 HydrophobicContact CG2-CB 4Å; V15-R181 PolarHBondContact N-O 3.44Å; V15-R181 PolarHBondContact O-N 2.85Å; D33-R181 IonicContact OD1-CZ 3.71Å; D33-R181 IonicContact OD1-NH1 3.4Å; D33-R181 PolarHBondContact OD1-NH1 2.62Å; D33-R181 IonicContact OD1-NH2 2.73Å; D33-R181 IonicContact OD2-CZ 3.76Å; D33-R181 VanDerWaalsContact OD2-CZ 3.27Å; D33-R181 IonicContact OD2-NH1 3.84Å; D33-R181 PolarHBondContact OD2-NH1 3.26Å; D33-R181 IonicContact OD2-NH2 2.9Å; D33-R181 PolarHBondContact OD2-NH2 3.32Å; M35-R181 VanDerWaalsContact CB-NH1 3.28Å; M35-R181 HydrophobicContact SD-CB 4.25Å; M35-R181 HydrophobicContact SD-CG 3.95Å; M35-R181 PolarHBondContact SD-NH1 3.5Å; L43-R181 HydrophobicContact CD1-CB 3.88Å; L43-R181 HydrophobicContact CD1-CG 4.38Å; R181-H189 WeakPolarHBondContact CA-O 3.36Å; R181-D190 WeakPolarHBondContact CD-OD1 3.32Å; R181-D190 WeakPolarHBondContact CG-OD1 3.43Å; R181-D190 IonicContact CZ-OD1 2.7Å; R181-D190 IonicContact NE-OD1 3.88Å; R181-D190 PolarHBondContact NE-OD1 3.5Å; R181-D190 IonicContact NH2-OD1 2.95Å
182I98.6Very high97.3Very high9 Ų952.7 Ų52.75%0.04627%0.271CS..EExtended strand (participates in β ladder)trans-121.6135.8172.9-169.9167.8000109.7Y12 V13 L14 R153 H189 L191Y12-I182 HydrophobicContact CD2-CD1 3.59Å; Y12-I182 HydrophobicContact CD2-CG1 3.91Å; Y12-I182 HydrophobicContact CE2-CD1 4.34Å; Y12-I182 HydrophobicContact CG-CD1 3.84Å; Y12-I182 HydrophobicContact CG-CG1 4.23Å; V13-I182 WeakPolarHBondContact O-CA 3.42Å; L14-I182 HydrophobicContact CD1-CB 4.42Å; R153-I182 HydrophobicContact CB-CD1 4.16Å; R153-I182 HydrophobicContact CG-CD1 3.77Å; I182-H189 HydrophobicContact CG2-CB 3.77Å; I182-H189 PolarHBondContact N-O 3.46Å; I182-H189 PolarHBondContact O-N 2.96Å; I182-L191 HydrophobicContact CB-CD1 4.26Å; I182-L191 HydrophobicContact CG2-CD1 4.19Å; I182-L191 HydrophobicContact CG2-CD2 4.1Å; I182-L191 HydrophobicContact CG2-CG 4.14Å
183I98.6Very high97.4Very high0 Ų048.5 Ų48.50%025%0.25CS..EExtended strand (participates in β ladder)trans-112.9128.3177.4-44.2177.2000108Y12 V13 K41 L43 A105 G187 I188Y12-I183 CarbonylContact C-O 3.58Å; Y12-I183 WeakPolarHBondContact CA-O 3.48Å; Y12-I183 WeakPolarHBondContact CB-O 3.39Å; V13-I183 PolarHBondContact N-O 3.17Å; V13-I183 PolarHBondContact O-N 3.06Å; K41-I183 WeakPolarHBondContact O-CG2 3.38Å; L43-I183 HydrophobicContact CB-CD1 3.75Å; L43-I183 HydrophobicContact CD1-CD1 3.81Å; L43-I183 HydrophobicContact CD1-CG1 3.93Å; L43-I183 HydrophobicContact CG-CD1 3.75Å; L43-I183 HydrophobicContact CG-CG1 4.27Å; A105-I183 HydrophobicContact CB-CD1 3.56Å; A105-I183 WeakPolarHBondContact O-CD1 3.42Å; I183-G187 WeakPolarHBondContact CA-O 3.36Å; I183-I188 HydrophobicContact CG1-CG1 4.2Å; I183-I188 HydrophobicContact CG2-CG1 4.21Å
184D98.2Very high97.5Very high4 Ų445.3 Ų45.32%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-142.8-169.8175.171.113.8000111.7Y107 R153 N186 G187 H189Y107-D184 VanDerWaalsContact CG-C 3.49Å; R153-D184 IonicContact CZ-OD2 3.68Å; R153-D184 IonicContact NH1-OD2 2.67Å; R153-D184 PolarHBondContact NH1-OD2 2.72Å; R153-D184 IonicContact NH2-OD2 2.74Å; R153-D184 PolarHBondContact NH2-OD2 3.23Å; D184-N186 PolarHBondContact O-N 3.08Å; D184-N186 VanDerWaalsContact O-N 3.1Å; D184-N186 WeakPolarHBondContact OD1-CA 3.44Å; D184-N186 VanDerWaalsContact OD1-CB 3.29Å; D184-N186 WeakPolarHBondContact OD1-CB 3.29Å; D184-N186 PolarHBondContact OD1-N 2.84Å; D184-G187 PolarHBondContact N-O 3.28Å; D184-G187 PolarHBondContact O-N 2.74Å; D184-G187 PolarHBondContact OD1-N 3.04Å; D184-H189 IonicContact OD1-CD2 3.88Å; D184-H189 IonicContact OD1-CE1 2.63Å; D184-H189 IonicContact OD1-NE2 3.27Å; D184-H189 PolarHBondContact OD1-NE2 3.31Å; D184-H189 IonicContact OD2-CD2 2.9Å; D184-H189 IonicContact OD2-NE2 3.04Å
185K97.7Very high97.6Very high128 Ų12844.3 Ų44.356%0.55723%0.234SC*.THydrogen-bonded Turntrans-55.1-26.6177.866.8179.3177.1178.40114.8K41 Y107K41-K185 VanDerWaalsContact CE-O 3.29Å; K41-K185 WeakPolarHBondContact CE-O 3.16Å; K41-K185 PolarHBondContact NZ-O 2.86Å; Y107-K185 HydrophobicContact CD1-CB 4.08Å; Y107-K185 VanDerWaalsContact CE1-CA 3.43Å; Y107-K185 HydrophobicContact CE1-CB 3.45Å; Y107-K185 VanDerWaalsContact CE1-CB 3.45Å; Y107-K185 HydrophobicContact CE2-CB 4.36Å
186N97.6Very high97.4Very high115 Ų11545.9 Ų45.962%0.61524%0.241SC*.THydrogen-bonded Turntrans-91.20.7-178.5-55.8-43.3000112.5D184D184-N186 PolarHBondContact O-N 3.08Å; D184-N186 VanDerWaalsContact O-N 3.1Å; D184-N186 WeakPolarHBondContact OD1-CA 3.44Å; D184-N186 VanDerWaalsContact OD1-CB 3.29Å; D184-N186 WeakPolarHBondContact OD1-CB 3.29Å; D184-N186 PolarHBondContact OD1-N 2.84Å
187G97.6Very high96.6Very high6 Ų651.1 Ų51.16%0.06227%0.274CS..EExtended strand (participates in β ladder)trans111.6-151.8177.100000113.1E40 I183 D184 H189E40-G187 WeakPolarHBondContact O-CA 3.5Å; I183-G187 WeakPolarHBondContact CA-O 3.36Å; D184-G187 PolarHBondContact N-O 3.28Å; D184-G187 PolarHBondContact O-N 2.74Å; D184-G187 PolarHBondContact OD1-N 3.04Å; G187-H189 PolarHBondContact O-CD2 3.45Å; G187-H189 PolarHBondContact O-NE2 3Å
188I98.5Very high95Very high40 Ų4055.3 Ų55.321%0.20529%0.291CS..EExtended strand (participates in β ladder)trans-100.2125.8-177-63.7155.8000109.1K37 E40 L43 I183K37-I188 HydrophobicContact CD-CD1 4.13Å; K37-I188 HydrophobicContact CG-CD1 3.77Å; E40-I188 PolarHBondContact O-N 3.38Å; L43-I188 HydrophobicContact CD1-CG1 4.36Å; L43-I188 HydrophobicContact CD1-CG2 3.8Å; L43-I188 HydrophobicContact CD2-CD1 3.65Å; L43-I188 HydrophobicContact CD2-CG1 4.3Å; L43-I188 HydrophobicContact CD2-CG2 4.16Å; L43-I188 HydrophobicContact CG-CD1 3.74Å; L43-I188 HydrophobicContact CG-CG1 3.96Å; L43-I188 HydrophobicContact CG-CG2 4.14Å; I183-I188 HydrophobicContact CG1-CG1 4.2Å; I183-I188 HydrophobicContact CG2-CG1 4.21Å
189H98.4Very high92.9Very high66 Ų6663.3 Ų63.331%0.30633%0.328SS..EExtended strand (participates in β ladder)trans-117.5127.1178.5-44.8-87.6000109.9R181 I182 D184 G187R181-H189 WeakPolarHBondContact CA-O 3.36Å; I182-H189 HydrophobicContact CG2-CB 3.77Å; I182-H189 PolarHBondContact N-O 3.46Å; I182-H189 PolarHBondContact O-N 2.96Å; D184-H189 IonicContact OD1-CD2 3.88Å; D184-H189 IonicContact OD1-CE1 2.63Å; D184-H189 IonicContact OD1-NE2 3.27Å; D184-H189 PolarHBondContact OD1-NE2 3.31Å; D184-H189 IonicContact OD2-CD2 2.9Å; D184-H189 IonicContact OD2-NE2 3.04Å; G187-H189 PolarHBondContact O-CD2 3.45Å; G187-H189 PolarHBondContact O-NE2 3Å
190D97.9Very high90.6Very high116 Ų11667 Ų6762%0.6237%0.366SS*.EExtended strand (participates in β ladder)trans-75.3129.9171.4-67.9-28.8000109.3R181R181-D190 WeakPolarHBondContact CD-OD1 3.32Å; R181-D190 WeakPolarHBondContact CG-OD1 3.43Å; R181-D190 IonicContact CZ-OD1 2.7Å; R181-D190 IonicContact NE-OD1 3.88Å; R181-D190 PolarHBondContact NE-OD1 3.5Å; R181-D190 IonicContact NH2-OD1 2.95Å
191L97.3Very high87.6Confident64 Ų6474.8 Ų74.834%0.33542%0.422SS..EExtended strand (participates in β ladder)trans-104.2165171.1-59.7-176.7000109.6L14 V157 V180 I182 N193L14-L191 HydrophobicContact CD1-CD1 3.97Å; V157-L191 HydrophobicContact CG2-CD1 4.17Å; V180-L191 HydrophobicContact CB-CB 4.2Å; V180-L191 HydrophobicContact CG1-CB 4.2Å; V180-L191 HydrophobicContact CG1-CD1 4.02Å; V180-L191 PolarHBondContact O-N 2.89Å; I182-L191 HydrophobicContact CB-CD1 4.26Å; I182-L191 HydrophobicContact CG2-CD1 4.19Å; I182-L191 HydrophobicContact CG2-CD2 4.1Å; I182-L191 HydrophobicContact CG2-CG 4.14Å; L191-N193 PolarHBondContact O-N 2.67Å
192D96.9Very high87Confident152 Ų15276.7 Ų76.781%0.81344%0.436SS*.EExtended strand (participates in β ladder)trans-58.1137.8174.3-70.5-30.9000111.1I194D192-I194 PolarHBondContact O-N 2.98Å
193N97.2Very high86.4Confident70 Ų7080.3 Ų80.337%0.37446%0.456SS..EExtended strand (participates in β ladder)trans-61.3132.8174.9-62.5-59.7000109.9R19 F178 S179 L191 S195R19-N193 PolarHBondContact NH1-ND2 3.04Å; F178-N193 VanDerWaalsContact O-CA 3.26Å; F178-N193 WeakPolarHBondContact O-CA 3.4Å; F178-N193 WeakPolarHBondContact O-CB 3.27Å; F178-N193 PolarHBondContact O-OD1 2.88Å; S179-N193 WeakPolarHBondContact CA-OD1 3.42Å; L191-N193 PolarHBondContact O-N 2.67Å; N193-S195 PolarHBondContact O-N 3.46Å
194I96.4Very high85.7Confident8 Ų884.7 Ų84.74%0.04148%0.482CS..EExtended strand (participates in β ladder)trans-81.7117.4170.7-63.2171.5000107.4L160 L164 T177 F178 V180 D192 F196L160-I194 HydrophobicContact CD2-CD1 3.83Å; L160-I194 HydrophobicContact CG-CD1 4.03Å; L164-I194 HydrophobicContact CD1-CB 3.83Å; L164-I194 HydrophobicContact CD1-CD1 3.78Å; L164-I194 HydrophobicContact CD1-CG1 4.4Å; L164-I194 HydrophobicContact CD1-CG2 3.75Å; T177-I194 WeakPolarHBondContact CA-O 3.25Å; F178-I194 PolarHBondContact N-O 2.91Å; F178-I194 PolarHBondContact O-N 3.05Å; F178-I194 VanDerWaalsContact O-N 3.12Å; V180-I194 HydrophobicContact CG2-CB 4.48Å; V180-I194 HydrophobicContact CG2-CD1 3.98Å; V180-I194 HydrophobicContact CG2-CG1 3.96Å; D192-I194 PolarHBondContact O-N 2.98Å; I194-F196 HydrophobicContact CG2-CE2 3.77Å; I194-F196 HydrophobicContact CG2-CZ 3.83Å
195S95.1Very high85Confident72 Ų7289.5 Ų89.550%0.50351%0.509SS..EExtended strand (participates in β ladder)trans-124.5141.9-176.3-55.60000110.5P176 T177 N193P176-S195 CarbonylContact O-C 3.13Å; P176-S195 WeakPolarHBondContact O-CA 3.44Å; T177-S195 WeakPolarHBondContact CG2-OG 3.23Å; N193-S195 PolarHBondContact O-N 3.46Å
196F92.5Very high84.2Confident37 Ų3787.1 Ų87.116%0.16251%0.506CS..  trans-115.1146.8175-60.9-83.7000109.8L164 E165 Q168 P176 F178 I194 K198L164-F196 HydrophobicContact CB-CE2 3.65Å; L164-F196 HydrophobicContact CB-CZ 3.72Å; E165-F196 HydrophobicContact CG-CE1 3.59Å; E165-F196 HydrophobicContact CG-CZ 3.98Å; Q168-F196 HydrophobicContact CG-CB 3.94Å; Q168-F196 HydrophobicContact CG-CD1 3.81Å; Q168-F196 HydrophobicContact CG-CD2 3.47Å; Q168-F196 VanDerWaalsContact CG-CD2 3.47Å; Q168-F196 HydrophobicContact CG-CE1 4.17Å; Q168-F196 HydrophobicContact CG-CE2 3.86Å; Q168-F196 HydrophobicContact CG-CG 3.44Å; Q168-F196 VanDerWaalsContact CG-CG 3.44Å; Q168-F196 HydrophobicContact CG-CZ 4.19Å; P176-F196 PolarHBondContact O-N 3.34Å; F178-F196 HydrophobicContact CD2-CE2 4.32Å; F178-F196 HydrophobicContact CE2-CD2 4.32Å; F178-F196 HydrophobicContact CE2-CE2 4.11Å; I194-F196 HydrophobicContact CG2-CE2 3.77Å; I194-F196 HydrophobicContact CG2-CZ 3.83Å; F196-K198 PolarHBondContact O-N 2.85Å
197P78.8Confident83.3Confident113 Ų11385.2 Ų85.273%0.73450%0.498SS*.  trans-59.2136.8173.223.9-31.2000109.6Q199P197-Q199 PolarHBondContact O-N 2.84Å; P197-Q199 VanDerWaalsContact O-N 3.14Å
198K64.3Low82.3Confident114 Ų11490.9 Ų90.950%0.49653%0.53SS..  trans-59.5119.4173.9-70.1-178.1178.6177.70107.7F196 G200F196-K198 PolarHBondContact O-N 2.85Å; K198-G200 PolarHBondContact O-N 3.06Å
199Q53.2Low81Confident167 Ų16794.8 Ų94.878%0.7856%0.555SS**THydrogen-bonded Turntrans-63100.8169.4-71.8-179.815.500107.3Q168 P197Q168-Q199 PolarHBondContact O-NE2 3.43Å; Q168-Q199 VanDerWaalsContact O-NE2 3.17Å; P197-Q199 PolarHBondContact O-N 2.84Å; P197-Q199 VanDerWaalsContact O-N 3.14Å
200G50Low79.6Confident83 Ų8397.2 Ų97.286%0.85658%0.575SS**THydrogen-bonded Turntrans135.514.4-179.400000117.6K198K198-G200 PolarHBondContact O-N 3.06Å
201S35.3Very low77.9Confident170 Ų17095.5 Ų95.5100%1.18957%0.571SS**  trans-105.4016261.80000111.5

Retrieved 201 of 201 residues in 44 ms (Link to these results)