A0A087WQ14_MOUSE Loading...

ARP3 actin-related protein 3

AlphaFold DB , UniProt , Accession A0A087WQ14, Species MOUSE (Mus musculus, Mouse), Gene Actr3, Length 161 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.5Very low81.8Confident240 Ų24076.6 Ų76.6100%1.18245%0.453SS*.  0116.20-68.5176.4-166.100106G3M1-G3 PolarHBondContact O-N 3.29Å
2A45.4Very low82.9Confident105 Ų10572 Ų7287%0.86843%0.427SS*.PPolyproline II helixtrans-55.1123.8166.100000106.8R4A2-R4 PolarHBondContact O-N 3.21Å
3G59.5Low83.9Confident70 Ų7067.6 Ų67.672%0.72241%0.406SS*.PPolyproline II helixtrans-61.2121.6-175.700000109.2M1 L5M1-G3 PolarHBondContact O-N 3.29Å; G3-L5 PolarHBondContact O-N 3.13Å
4R73Confident84.8Confident170 Ų17067.1 Ų67.164%0.64240%0.404SS*.PPolyproline II helixtrans-55.3130.5173.9-174.6-167.9-89.2-154.6-167.8108.2A2 Y109A2-R4 PolarHBondContact O-N 3.21Å; R4-Y109 HydrophobicContact CG-CD2 3.94Å; R4-Y109 HydrophobicContact CG-CE2 3.83Å; R4-Y109 VanDerWaalsContact CZ-CD2 3.44Å; R4-Y109 VanDerWaalsContact CZ-OH 3.23Å; R4-Y109 VanDerWaalsContact NH1-CZ 3.3Å; R4-Y109 PolarHBondContact NH1-OH 3.45Å; R4-Y109 VanDerWaalsContact NH2-CD1 3.33Å
5L92.7Very high85.6Confident80 Ų8064.8 Ų64.842%0.41940%0.399SS..PPolyproline II helixtrans-59.8153.9175.8-65.8-175.9000110.6G3 D107 H108G3-L5 PolarHBondContact O-N 3.13Å; L5-D107 HydrophobicContact CD1-CB 3.77Å; L5-H108 VanDerWaalsContact CD1-NE2 3.34Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.46Å
6P95.8Very high86.4Confident63 Ų6369.5 Ų69.541%0.40941%0.408SS..PPolyproline II helixtrans-61.3142.9-17825.3-34.2000111.2Y21 H108P6-Y21 HydrophobicContact CB-CD1 4.44Å; P6-Y21 HydrophobicContact CG-CD1 4.01Å; P6-Y21 HydrophobicContact CG-CG 4.25Å; P6-H108 PolarHBondContact O-ND1 3.48Å
7A97.3Very high87.1Confident31 Ų3165.4 Ų65.426%0.25638%0.384SS..PPolyproline II helixtrans-66.6142.4178.700000111.3Y21 A22 Y109A7-Y21 CarbonylContact O-C 3.59Å; A7-Y21 WeakPolarHBondContact O-CA 3.48Å; A7-A22 HydrophobicContact CB-CB 4.18Å; A7-A22 WeakPolarHBondContact O-CB 3.19Å; A7-A22 PolarHBondContact O-N 3.04Å; A7-Y109 CarbonylContact C-O 3.58Å; A7-Y109 WeakPolarHBondContact CA-O 3.5Å; A7-Y109 WeakPolarHBondContact CB-O 3.46Å
8C98.3Very high87.7Confident0 Ų066 Ų660%038%0.381CS..EExtended strand (participates in β ladder)trans-78.8130.4169.9-64.40000109.2Y21 L101 Y109 F110 L111C8-Y21 VanDerWaalsContact SG-CE1 3.5Å; C8-L101 HydrophobicContact CB-CD1 4.02Å; C8-Y109 PolarHBondContact N-O 3.41Å; C8-F110 HydrophobicContact CB-CD1 3.51Å; C8-F110 HydrophobicContact CB-CD2 4.37Å; C8-F110 HydrophobicContact CB-CE1 3.37Å; C8-F110 HydrophobicContact CB-CE2 4.26Å; C8-F110 HydrophobicContact CB-CG 4.04Å; C8-F110 HydrophobicContact CB-CZ 3.79Å; C8-F110 CarbonylContact O-C 3.44Å; C8-F110 WeakPolarHBondContact O-CA 3.39Å; C8-L111 PolarHBondContact O-N 3.2Å
9V98.4Very high88.3Confident47 Ų4762.6 Ų62.629%0.28536%0.362SS..EExtended strand (participates in β ladder)trans-113.5125.1176.8-178.60000108.2L19 G20 A22 L111V9-L19 VanDerWaalsContact O-CA 3.25Å; V9-L19 WeakPolarHBondContact O-CA 3.47Å; V9-G20 PolarHBondContact N-O 2.79Å; V9-G20 PolarHBondContact O-N 2.94Å; V9-A22 HydrophobicContact CG2-CB 4.13Å; V9-L111 WeakPolarHBondContact CA-O 3.41Å; V9-L111 HydrophobicContact CG1-CD2 4.12Å; V9-L111 HydrophobicContact CG2-CB 4.4Å
10V98.4Very high88.8Confident0 Ų059.8 Ų59.80%035%0.347CS..EExtended strand (participates in β ladder)trans-132.9115.7178.8-169.60000109.8T17 L19 V96 L101 L111 L112 T113V10-T17 HydrophobicContact CG1-CG2 3.81Å; V10-L19 HydrophobicContact CG1-CB 4.31Å; V10-L19 HydrophobicContact CG2-CB 4.26Å; V10-V96 HydrophobicContact CG1-CG1 4.2Å; V10-V96 HydrophobicContact CG2-CG1 4.22Å; V10-L101 HydrophobicContact CG2-CD1 4.27Å; V10-L111 PolarHBondContact N-O 3.2Å; V10-L112 HydrophobicContact CB-CD2 3.64Å; V10-L112 HydrophobicContact CG1-CD2 4.49Å; V10-L112 HydrophobicContact CG2-CD2 4.03Å; V10-L112 WeakPolarHBondContact O-CA 3.46Å; V10-T113 PolarHBondContact O-N 2.64Å
11D98.1Very high89.2Confident37 Ų3759 Ų5920%0.19834%0.338CS..EExtended strand (participates in β ladder)trans-103.598.8173.4168.738.6000109.6G13 T17 K18 T113 Q144D11-G13 PolarHBondContact O-N 2.98Å; D11-T17 CarbonylContact O-C 3.52Å; D11-T17 VanDerWaalsContact O-CA 3.28Å; D11-T17 WeakPolarHBondContact O-CA 3.45Å; D11-K18 HydrophobicContact CB-CB 4.38Å; D11-K18 PolarHBondContact N-O 2.99Å; D11-K18 PolarHBondContact O-N 3.37Å; D11-K18 IonicContact OD2-NZ 2.73Å; D11-K18 PolarHBondContact OD2-NZ 2.93Å; D11-T113 WeakPolarHBondContact CA-OG1 3.23Å; D11-T113 HydrophobicContact CB-CG2 3.94Å; D11-T113 PolarHBondContact OD1-OG1 3.28Å; D11-Q144 PolarHBondContact OD1-NE2 2.86Å
12C95.9Very high91.8Very high21 Ų2149.9 Ų49.914%0.14230%0.301CS..EExtended strand (participates in β ladder)trans-85.8103.6-179.5-67.30000110.7I78 M89C12-I78 HydrophobicContact CB-CD1 3.67Å; C12-M89 HydrophobicContact CB-CE 4.39Å
13G95.4Very high94.1Very high15 Ų1548.9 Ų48.916%0.15530%0.301CS..  trans-95170.7174.100000113.1D11 Y16 S33D11-G13 PolarHBondContact O-N 2.98Å; G13-Y16 WeakPolarHBondContact CA-O 3.47Å; G13-Y16 PolarHBondContact N-O 3.37Å; G13-Y16 VanDerWaalsContact N-O 3.12Å; G13-S33 WeakPolarHBondContact O-CB 3.39Å; G13-S33 PolarHBondContact O-OG 3.12Å
14T96.6Very high95.7Very high61 Ų6149.6 Ų49.637%0.37429%0.288SS..SBendtrans-68.6-35.9172.4-61.60000112.7G81T14-G81 PolarHBondContact OG1-N 3.03Å
15G96.7Very high96.6Very high32 Ų3248.9 Ų48.933%0.3330%0.303SS..SBendtrans-98-43.2179.400000113.4P32 S33G15-P32 WeakPolarHBondContact O-CA 3.45Å; G15-S33 PolarHBondContact O-N 3Å
16Y98.1Very high96.7Very high140 Ų14052.4 Ų52.455%0.54932%0.317SS..EExtended strand (participates in β ladder)trans-139138.6-173.8-66-89.5000111.6G13 I30 I31 P32 S33G13-Y16 WeakPolarHBondContact CA-O 3.47Å; G13-Y16 PolarHBondContact N-O 3.37Å; G13-Y16 VanDerWaalsContact N-O 3.12Å; Y16-I30 HydrophobicContact CD1-CG2 4.07Å; Y16-I30 HydrophobicContact CG-CG2 4.33Å; Y16-I31 CarbonylContact C-O 3.6Å; Y16-I31 VanDerWaalsContact CA-O 3.24Å; Y16-I31 WeakPolarHBondContact CA-O 3.33Å; Y16-P32 HydrophobicContact CE1-CG 4.2Å; Y16-S33 VanDerWaalsContact CA-OG 3.26Å; Y16-S33 WeakPolarHBondContact CA-OG 3.34Å; Y16-S33 PolarHBondContact N-OG 2.91Å; Y16-S33 PolarHBondContact O-OG 3.07Å
17T98.4Very high96.8Very high0 Ų052.3 Ų52.30%032%0.316CS..EExtended strand (participates in β ladder)trans-101.3125.9171.6-62.10000108.1V10 D11 L19 I30 I31 S33 F92V10-T17 HydrophobicContact CG1-CG2 3.81Å; D11-T17 CarbonylContact O-C 3.52Å; D11-T17 VanDerWaalsContact O-CA 3.28Å; D11-T17 WeakPolarHBondContact O-CA 3.45Å; T17-L19 HydrophobicContact CG2-CD2 4.06Å; T17-I30 WeakPolarHBondContact O-CA 3.19Å; T17-I31 PolarHBondContact N-O 3.37Å; T17-I31 PolarHBondContact O-N 3.34Å; T17-S33 PolarHBondContact N-OG 3.33Å; T17-S33 PolarHBondContact OG1-OG 3.27Å; T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.31Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.45Å
18K98.6Very high96.8Very high76 Ų7654.8 Ų54.833%0.3332%0.323SS..EExtended strand (participates in β ladder)trans-107134175.8-52.6177.6-151.864.90108.3D11 P27 F29 I30D11-K18 HydrophobicContact CB-CB 4.38Å; D11-K18 PolarHBondContact N-O 2.99Å; D11-K18 PolarHBondContact O-N 3.37Å; D11-K18 IonicContact OD2-NZ 2.73Å; D11-K18 PolarHBondContact OD2-NZ 2.93Å; K18-P27 HydrophobicContact CB-CB 4.06Å; K18-P27 HydrophobicContact CB-CG 4.41Å; K18-F29 CarbonylContact C-O 3.6Å; K18-F29 WeakPolarHBondContact CA-O 3.49Å; K18-I30 HydrophobicContact CB-CG1 4.47Å; K18-I30 HydrophobicContact CD-CD1 4.5Å; K18-I30 HydrophobicContact CG-CB 4.49Å; K18-I30 HydrophobicContact CG-CD1 4.45Å; K18-I30 HydrophobicContact CG-CG1 4.03Å; K18-I30 HydrophobicContact CG-CG2 4.12Å
19L98.1Very high96.8Very high2 Ų258.3 Ų58.31%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-147.3153-176.259.3118.9000112.5V9 V10 T17 Q28 F29 I31 V96 L101V9-L19 VanDerWaalsContact O-CA 3.25Å; V9-L19 WeakPolarHBondContact O-CA 3.47Å; V10-L19 HydrophobicContact CG1-CB 4.31Å; V10-L19 HydrophobicContact CG2-CB 4.26Å; T17-L19 HydrophobicContact CG2-CD2 4.06Å; L19-Q28 PolarHBondContact O-N 3.23Å; L19-F29 HydrophobicContact CD1-CB 4.07Å; L19-F29 HydrophobicContact CD1-CD2 3.58Å; L19-F29 HydrophobicContact CD1-CE2 4.46Å; L19-F29 HydrophobicContact CD1-CG 4.2Å; L19-F29 HydrophobicContact CD2-CB 4.22Å; L19-F29 HydrophobicContact CG-CB 3.92Å; L19-F29 HydrophobicContact CG-CD2 4.28Å; L19-F29 PolarHBondContact N-O 2.73Å; L19-F29 PolarHBondContact O-N 2.85Å; L19-I31 HydrophobicContact CD2-CD1 4.07Å; L19-I31 HydrophobicContact CD2-CG1 4.17Å; L19-V96 HydrophobicContact CB-CG1 4.49Å; L19-V96 HydrophobicContact CD1-CG1 4.28Å; L19-V96 HydrophobicContact CD2-CG1 4.16Å; L19-V96 HydrophobicContact CD2-CG2 4.38Å; L19-L101 HydrophobicContact CB-CD2 4.46Å; L19-L101 HydrophobicContact CD1-CD1 4.48Å; L19-L101 HydrophobicContact CD1-CD2 3.67Å; L19-L101 HydrophobicContact CD1-CG 3.66Å
20G98.3Very high96.8Very high6 Ų660.6 Ų60.66%0.06235%0.348CS..EExtended strand (participates in β ladder)trans170.1-174.1176.400000112.2V9 Q28V9-G20 PolarHBondContact N-O 2.79Å; V9-G20 PolarHBondContact O-N 2.94Å; G20-Q28 VanDerWaalsContact CA-OE1 3.24Å
21Y98Very high96.8Very high43 Ų4360.8 Ų60.817%0.16935%0.349CS..EExtended strand (participates in β ladder)trans-91.1142.8177.5-64.7-73.8000112.3P6 A7 C8 N24 L101 H108P6-Y21 HydrophobicContact CB-CD1 4.44Å; P6-Y21 HydrophobicContact CG-CD1 4.01Å; P6-Y21 HydrophobicContact CG-CG 4.25Å; A7-Y21 CarbonylContact O-C 3.59Å; A7-Y21 WeakPolarHBondContact O-CA 3.48Å; C8-Y21 VanDerWaalsContact SG-CE1 3.5Å; Y21-N24 WeakPolarHBondContact O-CB 3.34Å; Y21-N24 PolarHBondContact O-N 2.8Å; Y21-N24 PolarHBondContact O-ND2 2.93Å; Y21-L101 HydrophobicContact CE2-CD2 4.47Å; Y21-L101 PolarHBondContact OH-O 3.14Å; Y21-H108 AromaticContact CE1-CE1 3.48Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.48Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.49Å; Y21-H108 AromaticContact CE1-ND1 3.71Å
22A96.6Very high96.8Very high48 Ų4859.2 Ų59.240%0.39734%0.341SS..THydrogen-bonded Turntrans-58.2142.6172.400000111A7 V9A7-A22 HydrophobicContact CB-CB 4.18Å; A7-A22 WeakPolarHBondContact O-CB 3.19Å; A7-A22 PolarHBondContact O-N 3.04Å; V9-A22 HydrophobicContact CG2-CB 4.13Å
23G93.6Very high96.9Very high84 Ų8458.2 Ų58.287%0.86633%0.334SS*.THydrogen-bonded Turntrans96.5-15.2-17600000114.1
24N93.8Very high96.9Very high86 Ų8657.5 Ų57.546%0.4633%0.327SS..  trans-74.8150.6171.2-69-19.3000111.6Y21 Q28Y21-N24 WeakPolarHBondContact O-CB 3.34Å; Y21-N24 PolarHBondContact O-N 2.8Å; Y21-N24 PolarHBondContact O-ND2 2.93Å; N24-Q28 PolarHBondContact ND2-OE1 3.44Å; N24-Q28 VanDerWaalsContact ND2-OE1 3.13Å
25T92.1Very high96.9Very high155 Ų15554.6 Ų54.695%0.95131%0.309SS*.SBendtrans-75.9-26.8178.7-49.10000112.7
26E94.4Very high96.9Very high154 Ų15453.1 Ų53.172%0.7229%0.293SS*.SBendtrans-138.1156.3-178.763.7-174.8172.100110.4
27P97.1Very high96.6Very high60 Ų6047.9 Ų47.939%0.3927%0.274SS..  trans-60.6142.1171.327.4-35.4000110.1K18 I30K18-P27 HydrophobicContact CB-CB 4.06Å; K18-P27 HydrophobicContact CB-CG 4.41Å; P27-I30 HydrophobicContact CB-CG1 4.42Å; P27-I30 HydrophobicContact CG-CD1 3.94Å; P27-I30 HydrophobicContact CG-CG1 3.93Å
28Q97.5Very high96Very high84 Ų8453 Ų5339%0.39330%0.296SS..SBendtrans-75.3-32.4179.6-75.1168.9-9600112.4L19 G20 N24L19-Q28 PolarHBondContact O-N 3.23Å; G20-Q28 VanDerWaalsContact CA-OE1 3.24Å; N24-Q28 PolarHBondContact ND2-OE1 3.44Å; N24-Q28 VanDerWaalsContact ND2-OE1 3.13Å
29F98.3Very high94.8Very high74 Ų7456.2 Ų56.233%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-135.1144.4176-50.5-88.6000110.5K18 L19 I31 Y100K18-F29 CarbonylContact C-O 3.6Å; K18-F29 WeakPolarHBondContact CA-O 3.49Å; L19-F29 HydrophobicContact CD1-CB 4.07Å; L19-F29 HydrophobicContact CD1-CD2 3.58Å; L19-F29 HydrophobicContact CD1-CE2 4.46Å; L19-F29 HydrophobicContact CD1-CG 4.2Å; L19-F29 HydrophobicContact CD2-CB 4.22Å; L19-F29 HydrophobicContact CG-CB 3.92Å; L19-F29 HydrophobicContact CG-CD2 4.28Å; L19-F29 PolarHBondContact N-O 2.73Å; L19-F29 PolarHBondContact O-N 2.85Å; F29-I31 HydrophobicContact CB-CG2 4.32Å; F29-Y100 HydrophobicContact CB-CD1 4.44Å; F29-Y100 AromaticContact CD1-CD1 3.92Å; F29-Y100 HydrophobicContact CD1-CD1 3.92Å; F29-Y100 HydrophobicContact CE1-CD1 4.29Å; F29-Y100 VanDerWaalsContact CE2-O 3.23Å; F29-Y100 WeakPolarHBondContact CE2-O 3.39Å; F29-Y100 HydrophobicContact CG-CD1 4.06Å
30I98.4Very high93Very high94 Ų9460.2 Ų60.248%0.48234%0.341SS..EExtended strand (participates in β ladder)trans-130108.3169-54.8-177.4000105.2Y16 T17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 4.07Å; Y16-I30 HydrophobicContact CG-CG2 4.33Å; T17-I30 WeakPolarHBondContact O-CA 3.19Å; K18-I30 HydrophobicContact CB-CG1 4.47Å; K18-I30 HydrophobicContact CD-CD1 4.5Å; K18-I30 HydrophobicContact CG-CB 4.49Å; K18-I30 HydrophobicContact CG-CD1 4.45Å; K18-I30 HydrophobicContact CG-CG1 4.03Å; K18-I30 HydrophobicContact CG-CG2 4.12Å; P27-I30 HydrophobicContact CB-CG1 4.42Å; P27-I30 HydrophobicContact CG-CD1 3.94Å; P27-I30 HydrophobicContact CG-CG1 3.93Å
31I98.2Very high90.7Very high5 Ų564.1 Ų64.13%0.02637%0.373CS..EExtended strand (participates in β ladder)trans-121.8150-174.563.2174.4000110.5Y16 T17 L19 F29 S33 I62 F92 V96 Y100Y16-I31 CarbonylContact C-O 3.6Å; Y16-I31 VanDerWaalsContact CA-O 3.24Å; Y16-I31 WeakPolarHBondContact CA-O 3.33Å; T17-I31 PolarHBondContact N-O 3.37Å; T17-I31 PolarHBondContact O-N 3.34Å; L19-I31 HydrophobicContact CD2-CD1 4.07Å; L19-I31 HydrophobicContact CD2-CG1 4.17Å; F29-I31 HydrophobicContact CB-CG2 4.32Å; I31-S33 PolarHBondContact O-N 3.22Å; I31-I62 HydrophobicContact CD1-CD1 3.92Å; I31-F92 HydrophobicContact CD1-CE2 4.42Å; I31-F92 HydrophobicContact CD1-CZ 4.02Å; I31-F92 HydrophobicContact CG1-CZ 4.46Å; I31-V96 HydrophobicContact CD1-CG2 4.36Å; I31-Y100 HydrophobicContact CD1-CD2 4.31Å; I31-Y100 HydrophobicContact CD1-CE1 4.45Å; I31-Y100 HydrophobicContact CD1-CE2 4.01Å; I31-Y100 HydrophobicContact CG2-CD1 4.24Å; I31-Y100 HydrophobicContact CG2-CE1 3.67Å
32P98.1Very high88.4Confident4 Ų472.3 Ų72.33%0.02641%0.409CS..EExtended strand (participates in β ladder)trans-54.3133.7168.7-25.933.5000111.9G15 Y16 C34 G63 D64 I67 W76G15-P32 WeakPolarHBondContact O-CA 3.45Å; Y16-P32 HydrophobicContact CE1-CG 4.2Å; P32-C34 PolarHBondContact O-N 3.33Å; P32-G63 WeakPolarHBondContact O-CA 3.37Å; P32-D64 WeakPolarHBondContact CD-OD1 3.22Å; P32-D64 WeakPolarHBondContact CG-OD1 3.49Å; P32-I67 HydrophobicContact CB-CD1 3.78Å; P32-I67 HydrophobicContact CG-CD1 3.56Å; P32-W76 HydrophobicContact CB-CH2 4.34Å
33S97.9Very high86.2Confident0 Ų076.7 Ų76.70%043%0.431CS..SBendtrans-79.248.9179.8-55.50000112.3G13 G15 Y16 T17 I31 W76 P77G13-S33 WeakPolarHBondContact O-CB 3.39Å; G13-S33 PolarHBondContact O-OG 3.12Å; G15-S33 PolarHBondContact O-N 3Å; Y16-S33 VanDerWaalsContact CA-OG 3.26Å; Y16-S33 WeakPolarHBondContact CA-OG 3.34Å; Y16-S33 PolarHBondContact N-OG 2.91Å; Y16-S33 PolarHBondContact O-OG 3.07Å; T17-S33 PolarHBondContact N-OG 3.33Å; T17-S33 PolarHBondContact OG1-OG 3.27Å; I31-S33 PolarHBondContact O-N 3.22Å; S33-W76 VanDerWaalsContact O-CE3 3.24Å; S33-P77 WeakPolarHBondContact O-CD 3.43Å
34C97.1Very high84.3Confident0 Ų075 Ų750%041%0.414CS..  trans-127.3155.6-176.971.80000112P32 I62 G63 T74 K75 W76P32-C34 PolarHBondContact O-N 3.33Å; C34-I62 WeakPolarHBondContact O-CA 3.33Å; C34-G63 PolarHBondContact O-N 3.12Å; C34-G63 VanDerWaalsContact O-N 3.13Å; C34-T74 HydrophobicContact CB-CG2 3.84Å; C34-K75 VanDerWaalsContact CA-O 3.28Å; C34-K75 WeakPolarHBondContact CA-O 3.47Å; C34-K75 WeakPolarHBondContact CB-O 3.36Å; C34-W76 HydrophobicContact CB-CD2 3.73Å; C34-W76 HydrophobicContact CB-CE3 3.78Å; C34-W76 HydrophobicContact CB-CG 4.42Å; C34-W76 HydrophobicContact CB-CH2 3.82Å; C34-W76 HydrophobicContact CB-CZ2 3.77Å; C34-W76 HydrophobicContact CB-CZ3 3.82Å
35I96.6Very high82.4Confident0 Ų076.8 Ų76.80%042%0.423CS..EExtended strand (participates in β ladder)trans-129.5131.8178.6-176.2168.6000109I37 F60 F61 I62 T74 K75 L88 R91I35-I37 HydrophobicContact CD1-CG2 4.17Å; I35-I37 HydrophobicContact CG1-CG2 3.96Å; I35-F60 HydrophobicContact CD1-CB 4.44Å; I35-F60 HydrophobicContact CD1-CD2 3.5Å; I35-F60 VanDerWaalsContact CD1-CD2 3.5Å; I35-F60 HydrophobicContact CD1-CE2 3.93Å; I35-F60 HydrophobicContact CD1-CG 4.14Å; I35-F60 HydrophobicContact CG1-CB 4.38Å; I35-F60 HydrophobicContact CG1-CD2 3.86Å; I35-F60 HydrophobicContact CG1-CG 4.49Å; I35-F61 CarbonylContact C-O 3.58Å; I35-F61 VanDerWaalsContact CA-O 3.3Å; I35-F61 WeakPolarHBondContact CA-O 3.34Å; I35-I62 HydrophobicContact CB-CG2 4.13Å; I35-I62 HydrophobicContact CD1-CG2 4.27Å; I35-I62 HydrophobicContact CG1-CG2 3.95Å; I35-T74 CarbonylContact O-C 3.59Å; I35-T74 WeakPolarHBondContact O-CA 3.35Å; I35-K75 HydrophobicContact CG2-CB 4.19Å; I35-K75 PolarHBondContact N-O 3.12Å; I35-K75 PolarHBondContact O-N 2.77Å; I35-L88 HydrophobicContact CD1-CD2 4.22Å; I35-L88 HydrophobicContact CG2-CB 4.13Å; I35-L88 HydrophobicContact CG2-CD1 4.12Å; I35-L88 HydrophobicContact CG2-CD2 4.02Å; I35-L88 HydrophobicContact CG2-CG 4.32Å; I35-R91 HydrophobicContact CD1-CB 3.85Å
36A95.4Very high80.7Confident0 Ų076.3 Ų76.30%041%0.41CS..EExtended strand (participates in β ladder)trans-103.2117.8174.800000109.2F60 F61 A66 Y72 A73A36-F60 VanDerWaalsContact O-CA 3.27Å; A36-F60 WeakPolarHBondContact O-CA 3.25Å; A36-F60 WeakPolarHBondContact O-CB 3.39Å; A36-F61 HydrophobicContact CB-CB 4.42Å; A36-F61 PolarHBondContact N-O 3.29Å; A36-F61 PolarHBondContact O-N 3.33Å; A36-A66 HydrophobicContact CB-CB 3.62Å; A36-A66 WeakPolarHBondContact CB-O 3.31Å; A36-Y72 HydrophobicContact CB-CG 4.49Å; A36-A73 WeakPolarHBondContact CA-O 3.43Å
37I91.5Very high78.8Confident30 Ų3072.9 Ų72.915%0.15441%0.408CS..EExtended strand (participates in β ladder)trans-116.6148.2179.963.6171.2000110.4I35 E39 F60 Y72 A73 K75 L88I35-I37 HydrophobicContact CD1-CG2 4.17Å; I35-I37 HydrophobicContact CG1-CG2 3.96Å; I37-E39 PolarHBondContact O-N 3.02Å; I37-F60 HydrophobicContact CG2-CB 4.09Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; I37-A73 PolarHBondContact N-O 2.97Å; I37-A73 PolarHBondContact O-N 3.42Å; I37-K75 HydrophobicContact CD1-CD 3.82Å; I37-K75 HydrophobicContact CG1-CD 4.29Å; I37-L88 HydrophobicContact CD1-CD2 4.29Å; I37-L88 HydrophobicContact CG2-CD2 4.03Å
38K85.8Confident76.6Confident107 Ų10776.4 Ų76.447%0.46542%0.419SS..  trans-78.3120.4174.7-164.8173.3-174.8177.10109.3S40 D59 Y72K38-S40 PolarHBondContact O-N 3.44Å; K38-S40 VanDerWaalsContact O-N 3.08Å; K38-D59 WeakPolarHBondContact CD-OD2 3.23Å; K38-D59 IonicContact NZ-OD2 3.03Å; K38-D59 PolarHBondContact NZ-OD2 3.15Å; K38-Y72 HydrophobicContact CB-CD1 4.02Å; K38-Y72 HydrophobicContact CB-CE1 3.8Å; K38-Y72 HydrophobicContact CG-CE1 4.46Å
39E73.3Confident74.4Confident144 Ų14479.1 Ų79.167%0.67343%0.426SS*.  trans-73.4103.9169.9-68.7-169.1157.200108.4I37 A41 A73I37-E39 PolarHBondContact O-N 3.02Å; E39-A41 PolarHBondContact O-N 2.6Å; E39-A73 HydrophobicContact CG-CB 3.74Å
40S61.6Low72.1Confident86 Ų8686.5 Ų86.560%0.60145%0.451SS*.  trans-63.8119.3172.642.50000109K38 K42K38-S40 PolarHBondContact O-N 3.44Å; K38-S40 VanDerWaalsContact O-N 3.08Å; S40-K42 PolarHBondContact O-N 2.68Å
41A49Very low69.8Low89 Ų8987.7 Ų87.774%0.73646%0.463SS*.  trans-57.1122.5174.200000108.9E39 V43E39-A41 PolarHBondContact O-N 2.6Å; A41-V43 PolarHBondContact O-N 2.73Å
42K50.7Low67.5Low215 Ų21592.2 Ų92.294%0.93549%0.485SS*.SBendtrans-67.223.9-175.8-65.2-175.1178.6179.10114.9S40S40-K42 PolarHBondContact O-N 2.68Å
43V49.3Very low65.2Low140 Ų14098.5 Ų98.585%0.84851%0.512SS*.  trans-115.590.9-175-171.40000108.9A41A41-V43 PolarHBondContact O-N 2.73Å
44G53.4Low63.2Low49 Ų49100.7 Ų100.751%0.50554%0.535SS..SBendtrans174.6144.8177.100000116R49G44-R49 PolarHBondContact O-NH2 3.32Å
45D55.6Low61.4Low122 Ų122105.7 Ų105.765%0.65257%0.565SS**  trans-58.2145.3-171.1-155.2-8.6000113.9A47 Q48D45-A47 PolarHBondContact O-N 2.92Å; D45-Q48 PolarHBondContact O-N 2.81Å
46Q55.9Low59.8Low145 Ų145108.4 Ų108.468%0.67858%0.58SS**THydrogen-bonded Turntrans-63.6-23-170.7-84.9-179.2-7.100114.2
47A53.2Low58.5Low82 Ų82111.1 Ų111.168%0.67859%0.594SS**THydrogen-bonded Turntrans-80.1-34.4-177.400000113.7D45 R49D45-A47 PolarHBondContact O-N 2.92Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 2.91Å
48Q52.6Low57.6Low134 Ų134115.6 Ų115.663%0.62662%0.618SS**THydrogen-bonded Turntrans-72.7-21175.8-103.3178.4-46.800112.9D45 R50 M52D45-Q48 PolarHBondContact O-N 2.81Å; Q48-R50 PolarHBondContact O-N 2.9Å; Q48-M52 PolarHBondContact O-N 3.22Å
49R50.1Low57.7Low142 Ų142112.5 Ų112.554%0.53661%0.606SS.*Hα-helixtrans-61.3-34.5-179.6-91.1-177.4-100.3-175.3-14.2114.4G44 A47 K53G44-R49 PolarHBondContact O-NH2 3.32Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 2.91Å; R49-K53 WeakPolarHBondContact O-CB 3.45Å; R49-K53 PolarHBondContact O-N 2.93Å; R49-K53 VanDerWaalsContact O-N 3.15Å
50R50.9Low58.7Low228 Ų228106.3 Ų106.386%0.8658%0.577SS**Hα-helixtrans-73.4-30.3-173.8-72.1-174-175.9178.91113.6Q48Q48-R50 PolarHBondContact O-N 2.9Å
51V49.3Very low60.3Low120 Ų120104.3 Ų104.373%0.72756%0.558SS**Hα-helixtrans-88.2-36.9-179.6-176.40000111.3
52M50.3Low62.5Low99 Ų99100 Ų10049%0.48852%0.522SS..Hα-helixtrans-73.7-29177.8-69.8-178.179.900113.4Q48 G54 V55 D56Q48-M52 PolarHBondContact O-N 3.22Å; M52-G54 VanDerWaalsContact C-N 3.28Å; M52-G54 PolarHBondContact O-N 3.39Å; M52-V55 PolarHBondContact O-N 3.22Å; M52-V55 VanDerWaalsContact O-N 3.1Å; M52-D56 WeakPolarHBondContact O-CB 3.44Å; M52-D56 PolarHBondContact O-N 2.93Å
53K50.4Low64.7Low137 Ų13789.8 Ų89.860%0.59648%0.478SS*.Hα-helixtrans-56.4-38.9-179.2-168.8178.6-177.6-164.90113.1R49 V55 D57R49-K53 WeakPolarHBondContact O-CB 3.45Å; R49-K53 PolarHBondContact O-N 2.93Å; R49-K53 VanDerWaalsContact O-N 3.15Å; K53-V55 PolarHBondContact O-N 2.99Å; K53-D57 VanDerWaalsContact O-CB 3.24Å; K53-D57 WeakPolarHBondContact O-CB 3.27Å; K53-D57 VanDerWaalsContact O-CG 3.27Å; K53-D57 PolarHBondContact O-N 3.29Å
54G55.6Low66.9Low46 Ų4687.1 Ų87.147%0.47446%0.459SS..Hα-helixtrans-71.9-24.6179.900000114.8M52M52-G54 VanDerWaalsContact C-N 3.28Å; M52-G54 PolarHBondContact O-N 3.39Å
55V59.9Low68.9Low105 Ų10588 Ų8864%0.63645%0.45SS*.Hα-helixtrans-90-39.1177.4-174.90000110.6M52 K53 D57 L58 D59M52-V55 PolarHBondContact O-N 3.22Å; M52-V55 VanDerWaalsContact O-N 3.1Å; K53-V55 PolarHBondContact O-N 2.99Å; V55-D57 VanDerWaalsContact C-N 3.32Å; V55-L58 PolarHBondContact O-N 3.41Å; V55-D59 PolarHBondContact O-N 2.81Å
56D62.6Low70.8Confident57 Ų5782.2 Ų82.231%0.30542%0.419SS..Hα-helixtrans-68.6-30.1175.9-72.4-27000112M52 L58 D59M52-D56 WeakPolarHBondContact O-CB 3.44Å; M52-D56 PolarHBondContact O-N 2.93Å; D56-L58 PolarHBondContact O-N 2.92Å; D56-D59 PolarHBondContact O-N 2.8Å
57D67.4Low72.6Confident57 Ų5780 Ų8031%0.30541%0.411SS..THydrogen-bonded Turntrans-66.2-20.1175.5-85.9-27.4000113.2K53 V55 F60 R91K53-D57 VanDerWaalsContact O-CB 3.24Å; K53-D57 WeakPolarHBondContact O-CB 3.27Å; K53-D57 VanDerWaalsContact O-CG 3.27Å; K53-D57 PolarHBondContact O-N 3.29Å; V55-D57 VanDerWaalsContact C-N 3.32Å; D57-F60 WeakPolarHBondContact O-CD1 3.42Å; D57-R91 PolarHBondContact O-NH1 3.2Å; D57-R91 IonicContact OD1-CZ 2.74Å; D57-R91 VanDerWaalsContact OD1-CZ 3.31Å; D57-R91 IonicContact OD1-NH1 2.77Å; D57-R91 PolarHBondContact OD1-NH1 3.23Å; D57-R91 IonicContact OD1-NH2 3.82Å; D57-R91 PolarHBondContact OD1-NH2 2.9Å
58L73.4Confident74.4Confident124 Ų12483.2 Ų83.265%0.64941%0.412SS*.THydrogen-bonded Turntrans-95.5-9.3177.1-61171.8000113.4V55 D56 F60V55-L58 PolarHBondContact O-N 3.41Å; D56-L58 PolarHBondContact O-N 2.92Å; L58-F60 PolarHBondContact O-N 3.04Å
59D87.6Confident76.2Confident41 Ų4180.5 Ų80.522%0.21940%0.398CS..  trans-90.670.9-177.8-170.711.6000110.8K38 V55 D56 Y72K38-D59 WeakPolarHBondContact CD-OD2 3.23Å; K38-D59 IonicContact NZ-OD2 3.03Å; K38-D59 PolarHBondContact NZ-OD2 3.15Å; V55-D59 PolarHBondContact O-N 2.81Å; D56-D59 PolarHBondContact O-N 2.8Å; D59-Y72 PolarHBondContact OD1-OH 2.79Å; D59-Y72 PolarHBondContact OD2-OH 3.5Å; D59-Y72 VanDerWaalsContact OD2-OH 3.08Å
60F92.9Very high77.8Confident14 Ų1479.6 Ų79.66%0.06141%0.41CS..EExtended strand (participates in β ladder)trans-141.6159.7175.470.6-87.5000112.5I35 A36 I37 D57 L58 I62 R91 Q95I35-F60 HydrophobicContact CD1-CB 4.44Å; I35-F60 HydrophobicContact CD1-CD2 3.5Å; I35-F60 VanDerWaalsContact CD1-CD2 3.5Å; I35-F60 HydrophobicContact CD1-CE2 3.93Å; I35-F60 HydrophobicContact CD1-CG 4.14Å; I35-F60 HydrophobicContact CG1-CB 4.38Å; I35-F60 HydrophobicContact CG1-CD2 3.86Å; I35-F60 HydrophobicContact CG1-CG 4.49Å; A36-F60 VanDerWaalsContact O-CA 3.27Å; A36-F60 WeakPolarHBondContact O-CA 3.25Å; A36-F60 WeakPolarHBondContact O-CB 3.39Å; I37-F60 HydrophobicContact CG2-CB 4.09Å; D57-F60 WeakPolarHBondContact O-CD1 3.42Å; L58-F60 PolarHBondContact O-N 3.04Å; F60-I62 HydrophobicContact CD2-CG2 4.12Å; F60-I62 HydrophobicContact CE2-CG2 4.14Å; F60-R91 HydrophobicContact CE1-CB 4.25Å; F60-R91 HydrophobicContact CE1-CG 4.37Å; F60-R91 HydrophobicContact CE2-CB 3.88Å; F60-R91 VanDerWaalsContact CE2-O 3.31Å; F60-R91 WeakPolarHBondContact CE2-O 3.38Å; F60-R91 HydrophobicContact CZ-CB 3.71Å; F60-R91 HydrophobicContact CZ-CG 4.28Å; F60-R91 WeakPolarHBondContact CZ-O 3.38Å; F60-Q95 HydrophobicContact CD2-CG 4.32Å; F60-Q95 HydrophobicContact CE2-CG 3.38Å; F60-Q95 HydrophobicContact CZ-CG 3.77Å
61F95.3Very high79.7Confident44 Ų4474.4 Ų74.419%0.19340%0.404CS..EExtended strand (participates in β ladder)trans-128.5153.3178.4-57.4-86000110I35 A36 E65 A66 K69 Y72I35-F61 CarbonylContact C-O 3.58Å; I35-F61 VanDerWaalsContact CA-O 3.3Å; I35-F61 WeakPolarHBondContact CA-O 3.34Å; A36-F61 HydrophobicContact CB-CB 4.42Å; A36-F61 PolarHBondContact N-O 3.29Å; A36-F61 PolarHBondContact O-N 3.33Å; F61-E65 HydrophobicContact CB-CB 4.07Å; F61-E65 HydrophobicContact CD1-CB 4.29Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.17Å; F61-A66 HydrophobicContact CB-CB 4.49Å; F61-A66 WeakPolarHBondContact O-CB 3.49Å; F61-K69 HydrophobicContact CD2-CD 4.14Å; F61-K69 HydrophobicContact CD2-CG 3.83Å; F61-K69 HydrophobicContact CE2-CD 4.02Å; F61-K69 HydrophobicContact CE2-CG 4.23Å; F61-K69 HydrophobicContact CG-CG 4.16Å; F61-K69 HydrophobicContact CZ-CD 4.4Å; F61-Y72 HydrophobicContact CD2-CD1 4.32Å; F61-Y72 HydrophobicContact CD2-CE1 4.15Å; F61-Y72 HydrophobicContact CE2-CD1 4.47Å; F61-Y72 AromaticContact CE2-CE1 3.88Å; F61-Y72 HydrophobicContact CE2-CE1 3.88Å; F61-Y72 HydrophobicContact CE2-CE2 4.23Å; F61-Y72 AromaticContact CE2-CZ 3.77Å
62I96.8Very high81.7Confident0 Ų070.5 Ų70.50%038%0.377CS..EExtended strand (participates in β ladder)trans-130.1161.9174.870.8156.2000111.2I31 C34 I35 F60 F92 Q95 V96 Y100I31-I62 HydrophobicContact CD1-CD1 3.92Å; C34-I62 WeakPolarHBondContact O-CA 3.33Å; I35-I62 HydrophobicContact CB-CG2 4.13Å; I35-I62 HydrophobicContact CD1-CG2 4.27Å; I35-I62 HydrophobicContact CG1-CG2 3.95Å; F60-I62 HydrophobicContact CD2-CG2 4.12Å; F60-I62 HydrophobicContact CE2-CG2 4.14Å; I62-F92 HydrophobicContact CB-CD2 3.77Å; I62-F92 HydrophobicContact CB-CE2 3.92Å; I62-F92 HydrophobicContact CD1-CD2 3.97Å; I62-F92 HydrophobicContact CD1-CE2 3.87Å; I62-F92 HydrophobicContact CD1-CG 4.48Å; I62-F92 HydrophobicContact CD1-CZ 4.31Å; I62-F92 HydrophobicContact CG1-CE2 4.47Å; I62-F92 HydrophobicContact CG2-CD2 3.7Å; I62-F92 HydrophobicContact CG2-CE2 4.37Å; I62-F92 HydrophobicContact CG2-CG 4.45Å; I62-Q95 HydrophobicContact CD1-CB 3.43Å; I62-Q95 VanDerWaalsContact CD1-CB 3.43Å; I62-Q95 HydrophobicContact CG1-CB 3.66Å; I62-Q95 HydrophobicContact CG1-CG 4.35Å; I62-Q95 HydrophobicContact CG2-CB 4.24Å; I62-Q95 HydrophobicContact CG2-CG 4.33Å; I62-V96 HydrophobicContact CD1-CG2 3.95Å; I62-Y100 HydrophobicContact CD1-CD2 4.06Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CE2 3.69Å; I62-Y100 PolarHBondContact O-OH 3.05Å
63G96.6Very high83.7Confident0 Ų067 Ų670%036%0.363CS..THydrogen-bonded Turntrans70.5-141.8176.300000112.2P32 C34 E65 A66P32-G63 WeakPolarHBondContact O-CA 3.37Å; C34-G63 PolarHBondContact O-N 3.12Å; C34-G63 VanDerWaalsContact O-N 3.13Å; G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 3.1Å; G63-A66 WeakPolarHBondContact O-CB 3.36Å; G63-A66 PolarHBondContact O-N 3.05Å
64D96Very high85.8Confident83 Ų8363.3 Ų63.344%0.44435%0.352SS..Hα-helixtrans-61.4-37.7-177.8-59.2-51.7000111.8P32 A66 I67 E68P32-D64 WeakPolarHBondContact CD-OD1 3.22Å; P32-D64 WeakPolarHBondContact CG-OD1 3.49Å; D64-A66 PolarHBondContact O-N 3.01Å; D64-I67 WeakPolarHBondContact O-CB 3.42Å; D64-I67 PolarHBondContact O-N 3.32Å; D64-E68 WeakPolarHBondContact O-CG 3.03Å; D64-E68 PolarHBondContact O-N 3.07Å; D64-E68 VanDerWaalsContact O-N 3.12Å
65E94.8Very high87.7Confident68 Ų6864.9 Ų64.932%0.31835%0.346SS..Hα-helixtrans-61.7-29.1176.2-69.7179.8-150.200112.8F61 G63 I67 K69 K99F61-E65 HydrophobicContact CB-CB 4.07Å; F61-E65 HydrophobicContact CD1-CB 4.29Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.17Å; G63-E65 VanDerWaalsContact C-N 3.26Å; G63-E65 PolarHBondContact O-N 3.1Å; E65-I67 VanDerWaalsContact C-N 3.31Å; E65-K69 WeakPolarHBondContact O-CG 3.47Å; E65-K99 WeakPolarHBondContact OE1-CE 3.35Å; E65-K99 IonicContact OE1-NZ 2.68Å; E65-K99 PolarHBondContact OE1-NZ 3.2Å; E65-K99 IonicContact OE2-NZ 3.73Å; E65-K99 PolarHBondContact OE2-NZ 3.25Å
66A95.3Very high89.5Confident0 Ų065.2 Ų65.20%034%0.336CS..Hα-helixtrans-70.5-29.8175.400000112.6A36 F61 G63 D64 T74A36-A66 HydrophobicContact CB-CB 3.62Å; A36-A66 WeakPolarHBondContact CB-O 3.31Å; F61-A66 HydrophobicContact CB-CB 4.49Å; F61-A66 WeakPolarHBondContact O-CB 3.49Å; G63-A66 WeakPolarHBondContact O-CB 3.36Å; G63-A66 PolarHBondContact O-N 3.05Å; D64-A66 PolarHBondContact O-N 3.01Å; A66-T74 PolarHBondContact O-OG1 2.86Å
67I93.1Very high91.1Very high100 Ų10062.5 Ų62.551%0.51332%0.322SS..Hα-helixtrans-77.1-34.5178.1-60.3-179.3000110.4P32 D64 E65 K69P32-I67 HydrophobicContact CB-CD1 3.78Å; P32-I67 HydrophobicContact CG-CD1 3.56Å; D64-I67 WeakPolarHBondContact O-CB 3.42Å; D64-I67 PolarHBondContact O-N 3.32Å; E65-I67 VanDerWaalsContact C-N 3.31Å; I67-K69 VanDerWaalsContact C-N 3.26Å; I67-K69 PolarHBondContact O-N 2.92Å
68E92.7Very high92.5Very high149 Ų14960 Ų6070%0.69631%0.308SS*.SBendtrans-79.81.1-176.9-67.1-17817300114.6D64 P70D64-E68 WeakPolarHBondContact O-CG 3.03Å; D64-E68 PolarHBondContact O-N 3.07Å; D64-E68 VanDerWaalsContact O-N 3.12Å; E68-P70 WeakPolarHBondContact O-CD 3.05Å
69K90.4Very high93.5Very high76 Ų7660.6 Ų60.633%0.3330%0.302SS..  trans-106.481.6-177.2-67-75.2-179.5-172.20111.4F61 E65 I67 T71 Y72F61-K69 HydrophobicContact CD2-CD 4.14Å; F61-K69 HydrophobicContact CD2-CG 3.83Å; F61-K69 HydrophobicContact CE2-CD 4.02Å; F61-K69 HydrophobicContact CE2-CG 4.23Å; F61-K69 HydrophobicContact CG-CG 4.16Å; F61-K69 HydrophobicContact CZ-CD 4.4Å; E65-K69 WeakPolarHBondContact O-CG 3.47Å; I67-K69 VanDerWaalsContact C-N 3.26Å; I67-K69 PolarHBondContact O-N 2.92Å; K69-T71 PolarHBondContact O-N 3.28Å; K69-T71 VanDerWaalsContact O-N 3.1Å; K69-Y72 HydrophobicContact CB-CD2 3.9Å; K69-Y72 HydrophobicContact CB-CG 4.22Å; K69-Y72 PolarHBondContact O-N 2.9Å; K69-Y72 VanDerWaalsContact O-N 3.07Å
70P83.3Confident93.8Very high124 Ų12467 Ų6781%0.80533%0.33SS*.THydrogen-bonded Turntrans-66.9-16.4-174.528.5-37.5000114.3E68 Y72E68-P70 WeakPolarHBondContact O-CD 3.05Å; P70-Y72 VanDerWaalsContact C-N 3.33Å
71T89.3Confident93.8Very high118 Ų11867.5 Ų67.572%0.72434%0.339SS*.THydrogen-bonded Turntrans-86.6-3.7177.659.10000113.3K69K69-T71 PolarHBondContact O-N 3.28Å; K69-T71 VanDerWaalsContact O-N 3.1Å
72Y92.1Very high93.8Very high39 Ų3967.6 Ų67.615%0.15334%0.341CS..SBendtrans-109.4153.7179.9-72.1-116.6000109.3A36 I37 K38 D59 F61 K69 P70 T74A36-Y72 HydrophobicContact CB-CG 4.49Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; K38-Y72 HydrophobicContact CB-CD1 4.02Å; K38-Y72 HydrophobicContact CB-CE1 3.8Å; K38-Y72 HydrophobicContact CG-CE1 4.46Å; D59-Y72 PolarHBondContact OD1-OH 2.79Å; D59-Y72 PolarHBondContact OD2-OH 3.5Å; D59-Y72 VanDerWaalsContact OD2-OH 3.08Å; F61-Y72 HydrophobicContact CD2-CD1 4.32Å; F61-Y72 HydrophobicContact CD2-CE1 4.15Å; F61-Y72 HydrophobicContact CE2-CD1 4.47Å; F61-Y72 AromaticContact CE2-CE1 3.88Å; F61-Y72 HydrophobicContact CE2-CE1 3.88Å; F61-Y72 HydrophobicContact CE2-CE2 4.23Å; F61-Y72 AromaticContact CE2-CZ 3.77Å; K69-Y72 HydrophobicContact CB-CD2 3.9Å; K69-Y72 HydrophobicContact CB-CG 4.22Å; K69-Y72 PolarHBondContact O-N 2.9Å; K69-Y72 VanDerWaalsContact O-N 3.07Å; P70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-T74 PolarHBondContact O-N 2.79Å
73A92.4Very high93.8Very high25 Ų2568.8 Ų68.821%0.20735%0.348CS..EExtended strand (participates in β ladder)trans-85.5112172.800000109.4A36 I37 E39A36-A73 WeakPolarHBondContact CA-O 3.43Å; I37-A73 PolarHBondContact N-O 2.97Å; I37-A73 PolarHBondContact O-N 3.42Å; E39-A73 HydrophobicContact CG-CB 3.74Å
74T94.8Very high93.7Very high60 Ų6074.4 Ų74.437%0.36837%0.374SS..EExtended strand (participates in β ladder)trans-76.6126174-46.40000110.5C34 I35 A66 Y72C34-T74 HydrophobicContact CB-CG2 3.84Å; I35-T74 CarbonylContact O-C 3.59Å; I35-T74 WeakPolarHBondContact O-CA 3.35Å; A66-T74 PolarHBondContact O-OG1 2.86Å; Y72-T74 PolarHBondContact O-N 2.79Å
75K95.7Very high93.7Very high78 Ų7873.1 Ų73.134%0.33937%0.367SS..EExtended strand (participates in β ladder)trans-124.8157.6179-65.1-172176.7-1760110.9C34 I35 I37 L88C34-K75 VanDerWaalsContact CA-O 3.28Å; C34-K75 WeakPolarHBondContact CA-O 3.47Å; C34-K75 WeakPolarHBondContact CB-O 3.36Å; I35-K75 HydrophobicContact CG2-CB 4.19Å; I35-K75 PolarHBondContact N-O 3.12Å; I35-K75 PolarHBondContact O-N 2.77Å; I37-K75 HydrophobicContact CD1-CD 3.82Å; I37-K75 HydrophobicContact CG1-CD 4.29Å; K75-L88 HydrophobicContact CB-CD1 3.8Å; K75-L88 HydrophobicContact CD-CD1 3.58Å; K75-L88 HydrophobicContact CG-CD1 4.36Å
76W96.6Very high93.8Very high112 Ų11272.4 Ų72.442%0.42436%0.362SS..  trans-122.1102.6-178.1-63.284.3000108.2P32 S33 C34 I78P32-W76 HydrophobicContact CB-CH2 4.34Å; S33-W76 VanDerWaalsContact O-CE3 3.24Å; C34-W76 HydrophobicContact CB-CD2 3.73Å; C34-W76 HydrophobicContact CB-CE3 3.78Å; C34-W76 HydrophobicContact CB-CG 4.42Å; C34-W76 HydrophobicContact CB-CH2 3.82Å; C34-W76 HydrophobicContact CB-CZ2 3.77Å; C34-W76 HydrophobicContact CB-CZ3 3.82Å; W76-I78 PolarHBondContact O-N 3.24Å
77P96.8Very high93.8Very high1 Ų177.8 Ų77.81%0.00639%0.39CS..SBendtrans-65.9-21.8-177.524.7-33.3000112.8S33 V83 E84 L88 M89S33-P77 WeakPolarHBondContact O-CD 3.43Å; P77-V83 WeakPolarHBondContact O-CA 3.32Å; P77-E84 PolarHBondContact O-N 3.11Å; P77-L88 HydrophobicContact CB-CB 4.01Å; P77-M89 HydrophobicContact CB-CB 4.28Å; P77-M89 HydrophobicContact CB-SD 4.32Å; P77-M89 HydrophobicContact CG-SD 4.35Å
78I96.9Very high93.9Very high4 Ų473.5 Ų73.52%0.02137%0.369CS..EExtended strand (participates in β ladder)trans-112.3127.2-178.9-54.3171.2000109.2C12 W76 I82 V83 M89C12-I78 HydrophobicContact CB-CD1 3.67Å; W76-I78 PolarHBondContact O-N 3.24Å; I78-I82 CarbonylContact C-O 3.56Å; I78-I82 WeakPolarHBondContact CA-O 3.32Å; I78-V83 HydrophobicContact CG1-CG2 4.22Å; I78-M89 HydrophobicContact CD1-CE 4.41Å; I78-M89 HydrophobicContact CD1-SD 4.02Å; I78-M89 HydrophobicContact CG1-SD 4.01Å
79R94.8Very high94.1Very high137 Ų13767 Ų6752%0.51734%0.339SS..EExtended strand (participates in β ladder)trans-133.6138.4172.1-57.7-175.898.8-168.21.4110.2G81 I82 E84R79-G81 PolarHBondContact O-N 2.78Å; R79-G81 VanDerWaalsContact O-N 3.08Å; R79-I82 PolarHBondContact N-O 3.45Å; R79-I82 PolarHBondContact O-N 3.08Å; R79-I82 VanDerWaalsContact O-O 3.07Å; R79-E84 HydrophobicContact CB-CG 4.19Å; R79-E84 WeakPolarHBondContact CB-OE1 3.44Å; R79-E84 VanDerWaalsContact CD-CD 3.49Å; R79-E84 WeakPolarHBondContact CD-OE2 3.3Å; R79-E84 HydrophobicContact CG-CG 4.46Å; R79-E84 IonicContact NH1-OE2 2.99Å
80H93.1Very high94.4Very high176 Ų17666.6 Ų66.682%0.81534%0.338SS*.THydrogen-bonded Turntrans52.132.1-177.4-54.6-69.8000114I82H80-I82 VanDerWaalsContact C-N 3.3Å; H80-I82 PolarHBondContact O-N 2.63Å
81G92.6Very high94.9Very high23 Ų2364 Ų6424%0.23731%0.312CS..THydrogen-bonded Turntrans81.5-3.8-177.600000115.6T14 R79 P115T14-G81 PolarHBondContact OG1-N 3.03Å; R79-G81 PolarHBondContact O-N 2.78Å; R79-G81 VanDerWaalsContact O-N 3.08Å; G81-P115 WeakPolarHBondContact O-CD 3.24Å; G81-P115 VanDerWaalsContact O-CG 3.29Å; G81-P115 WeakPolarHBondContact O-CG 3.26Å
82I95.4Very high95.3Very high47 Ų4758.3 Ų58.324%0.24128%0.277CS..EExtended strand (participates in β ladder)trans-111.6141.5-176.6-57.5-63.6000110.1I78 R79 H80 E84 P115 N118 N122I78-I82 CarbonylContact C-O 3.56Å; I78-I82 WeakPolarHBondContact CA-O 3.32Å; R79-I82 PolarHBondContact N-O 3.45Å; R79-I82 PolarHBondContact O-N 3.08Å; R79-I82 VanDerWaalsContact O-O 3.07Å; H80-I82 VanDerWaalsContact C-N 3.3Å; H80-I82 PolarHBondContact O-N 2.63Å; I82-E84 PolarHBondContact O-N 3.13Å; I82-P115 HydrophobicContact CD1-CG 3.77Å; I82-N118 HydrophobicContact CD1-CB 4.46Å; I82-N122 WeakPolarHBondContact CG2-ND2 3.46Å
83V96.9Very high95.6Very high25 Ų2556.9 Ų56.915%0.15227%0.272CS..EExtended strand (participates in β ladder)trans-70.9121.1172.1-178.50000108.7P77 I78 W86 M89P77-V83 WeakPolarHBondContact O-CA 3.32Å; I78-V83 HydrophobicContact CG1-CG2 4.22Å; V83-W86 HydrophobicContact CB-CD2 4.36Å; V83-W86 HydrophobicContact CB-CE3 4.46Å; V83-W86 HydrophobicContact CB-CH2 3.92Å; V83-W86 HydrophobicContact CB-CZ2 3.8Å; V83-W86 HydrophobicContact CB-CZ3 4.27Å; V83-W86 HydrophobicContact CG1-CD2 3.69Å; V83-W86 HydrophobicContact CG1-CE3 3.84Å; V83-W86 HydrophobicContact CG1-CG 4.17Å; V83-W86 HydrophobicContact CG1-CH2 4.2Å; V83-W86 HydrophobicContact CG1-CZ2 4.07Å; V83-W86 HydrophobicContact CG1-CZ3 4.11Å; V83-W86 HydrophobicContact CG2-CH2 3.99Å; V83-W86 HydrophobicContact CG2-CZ2 4.37Å; V83-W86 HydrophobicContact CG2-CZ3 4.21Å; V83-M89 HydrophobicContact CG1-CB 3.71Å; V83-M89 HydrophobicContact CG1-CG 3.92Å; V83-M89 HydrophobicContact CG2-CG 4.09Å; V83-M89 HydrophobicContact CG2-SD 4.11Å
84E95.5Very high95.8Very high117 Ų11758.8 Ų58.855%0.54728%0.277SS..SBendtrans-101.7-23.1177.1-70-16917600112.8P77 R79 I82P77-E84 PolarHBondContact O-N 3.11Å; R79-E84 HydrophobicContact CB-CG 4.19Å; R79-E84 WeakPolarHBondContact CB-OE1 3.44Å; R79-E84 VanDerWaalsContact CD-CD 3.49Å; R79-E84 WeakPolarHBondContact CD-OE2 3.3Å; R79-E84 HydrophobicContact CG-CG 4.46Å; R79-E84 IonicContact NH1-OE2 2.99Å; I82-E84 PolarHBondContact O-N 3.13Å
85D96.2Very high95.8Very high56 Ų5658.1 Ų58.130%0.29927%0.269SS..  trans-133.6101.1-178.9-169.9-35.2000109.7D87 L88 M89D85-D87 PolarHBondContact OD1-N 3.45Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 HydrophobicContact CB-CD1 4.05Å; D85-L88 HydrophobicContact CB-CG 4.23Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.47Å; D85-L88 PolarHBondContact OD1-N 3.44Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.39Å; D85-L88 WeakPolarHBondContact OD2-CG 3.31Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 2.89Å
86W96.3Very high96Very high53 Ų5354.4 Ų54.420%0.20125%0.253CS..Hα-helixtrans-72.8-33.9-175.7-71.7101.9000113.1V83 L88 M89 E90 N122 Y125 T126 I129V83-W86 HydrophobicContact CB-CD2 4.36Å; V83-W86 HydrophobicContact CB-CE3 4.46Å; V83-W86 HydrophobicContact CB-CH2 3.92Å; V83-W86 HydrophobicContact CB-CZ2 3.8Å; V83-W86 HydrophobicContact CB-CZ3 4.27Å; V83-W86 HydrophobicContact CG1-CD2 3.69Å; V83-W86 HydrophobicContact CG1-CE3 3.84Å; V83-W86 HydrophobicContact CG1-CG 4.17Å; V83-W86 HydrophobicContact CG1-CH2 4.2Å; V83-W86 HydrophobicContact CG1-CZ2 4.07Å; V83-W86 HydrophobicContact CG1-CZ3 4.11Å; V83-W86 HydrophobicContact CG2-CH2 3.99Å; V83-W86 HydrophobicContact CG2-CZ2 4.37Å; V83-W86 HydrophobicContact CG2-CZ3 4.21Å; W86-L88 VanDerWaalsContact C-N 3.3Å; W86-L88 PolarHBondContact O-N 2.98Å; W86-M89 HydrophobicContact CE3-CB 4.48Å; W86-M89 PolarHBondContact O-N 3.24Å; W86-M89 VanDerWaalsContact O-N 3.17Å; W86-E90 WeakPolarHBondContact O-CB 3.46Å; W86-E90 PolarHBondContact O-N 3.24Å; W86-N122 HydrophobicContact CH2-CB 4.19Å; W86-N122 WeakPolarHBondContact CH2-O 3.28Å; W86-N122 HydrophobicContact CZ2-CB 3.74Å; W86-Y125 HydrophobicContact CZ2-CD2 4.35Å; W86-T126 WeakPolarHBondContact CH2-OG1 3.32Å; W86-I129 HydrophobicContact CE3-CD1 3.69Å; W86-I129 HydrophobicContact CZ3-CD1 4.24Å
87D94.3Very high96Very high113 Ų11349.1 Ų49.160%0.60423%0.233SC*.Hα-helixtrans-62.1-41.8175.7-67.6-19.1000110.3D85 R91D85-D87 PolarHBondContact OD1-N 3.45Å; D87-R91 WeakPolarHBondContact O-CG 3.47Å; D87-R91 PolarHBondContact O-N 2.95Å
88L95.3Very high96Very high11 Ų1153.5 Ų53.56%0.05825%0.252CS..Hα-helixtrans-71.6-36.1174.6-67.7-176.8000112.5I35 I37 K75 P77 D85 W86 F92I35-L88 HydrophobicContact CD1-CD2 4.22Å; I35-L88 HydrophobicContact CG2-CB 4.13Å; I35-L88 HydrophobicContact CG2-CD1 4.12Å; I35-L88 HydrophobicContact CG2-CD2 4.02Å; I35-L88 HydrophobicContact CG2-CG 4.32Å; I37-L88 HydrophobicContact CD1-CD2 4.29Å; I37-L88 HydrophobicContact CG2-CD2 4.03Å; K75-L88 HydrophobicContact CB-CD1 3.8Å; K75-L88 HydrophobicContact CD-CD1 3.58Å; K75-L88 HydrophobicContact CG-CD1 4.36Å; P77-L88 HydrophobicContact CB-CB 4.01Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 HydrophobicContact CB-CD1 4.05Å; D85-L88 HydrophobicContact CB-CG 4.23Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.47Å; D85-L88 PolarHBondContact OD1-N 3.44Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.39Å; D85-L88 WeakPolarHBondContact OD2-CG 3.31Å; W86-L88 VanDerWaalsContact C-N 3.3Å; W86-L88 PolarHBondContact O-N 2.98Å; L88-F92 VanDerWaalsContact O-CB 3.24Å; L88-F92 WeakPolarHBondContact O-CB 3.41Å; L88-F92 PolarHBondContact O-N 3.5Å
89M96.9Very high96Very high13 Ų1356.4 Ų56.46%0.06427%0.265CS..Hα-helixtrans-64.6-42.3177.9-170.966.1-147.900111.6C12 P77 I78 V83 D85 W86 F92 M93C12-M89 HydrophobicContact CB-CE 4.39Å; P77-M89 HydrophobicContact CB-CB 4.28Å; P77-M89 HydrophobicContact CB-SD 4.32Å; P77-M89 HydrophobicContact CG-SD 4.35Å; I78-M89 HydrophobicContact CD1-CE 4.41Å; I78-M89 HydrophobicContact CD1-SD 4.02Å; I78-M89 HydrophobicContact CG1-SD 4.01Å; V83-M89 HydrophobicContact CG1-CB 3.71Å; V83-M89 HydrophobicContact CG1-CG 3.92Å; V83-M89 HydrophobicContact CG2-CG 4.09Å; V83-M89 HydrophobicContact CG2-SD 4.11Å; D85-M89 WeakPolarHBondContact O-CB 3.45Å; D85-M89 PolarHBondContact O-N 2.89Å; W86-M89 HydrophobicContact CE3-CB 4.48Å; W86-M89 PolarHBondContact O-N 3.24Å; W86-M89 VanDerWaalsContact O-N 3.17Å; M89-F92 HydrophobicContact CE-CD1 4.15Å; M89-F92 WeakPolarHBondContact O-CB 3.31Å; M89-F92 PolarHBondContact O-N 3.02Å; M89-M93 HydrophobicContact CE-CG 3.7Å; M89-M93 HydrophobicContact CE-SD 3.65Å; M89-M93 WeakPolarHBondContact O-CG 3.45Å; M89-M93 PolarHBondContact O-N 3.12Å
90E96.6Very high96.1Very high67 Ų6751.4 Ų51.431%0.31325%0.246SC..Hα-helixtrans-62.5-49.6177.4-175.8177.3178.100111.4W86 F92 M93 E94 I129 S133 F134W86-E90 WeakPolarHBondContact O-CB 3.46Å; W86-E90 PolarHBondContact O-N 3.24Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 3.5Å; E90-M93 PolarHBondContact O-N 3.36Å; E90-M93 VanDerWaalsContact O-N 3.12Å; E90-E94 PolarHBondContact O-N 3.49Å; E90-I129 HydrophobicContact CB-CD1 4.21Å; E90-I129 HydrophobicContact CB-CG2 4.36Å; E90-I129 HydrophobicContact CG-CG2 3.9Å; E90-S133 PolarHBondContact OE1-OG 2.92Å; E90-F134 HydrophobicContact CG-CZ 4.42Å
91R95.4Very high96.3Very high68 Ų6843.4 Ų43.426%0.25721%0.209SC..Hα-helixtrans-58.7-38.5173.7-68.8179.1-162.7-1410.9112.3I35 D57 F60 D87 E94 Q95I35-R91 HydrophobicContact CD1-CB 3.85Å; D57-R91 PolarHBondContact O-NH1 3.2Å; D57-R91 IonicContact OD1-CZ 2.74Å; D57-R91 VanDerWaalsContact OD1-CZ 3.31Å; D57-R91 IonicContact OD1-NH1 2.77Å; D57-R91 PolarHBondContact OD1-NH1 3.23Å; D57-R91 IonicContact OD1-NH2 3.82Å; D57-R91 PolarHBondContact OD1-NH2 2.9Å; F60-R91 HydrophobicContact CE1-CB 4.25Å; F60-R91 HydrophobicContact CE1-CG 4.37Å; F60-R91 HydrophobicContact CE2-CB 3.88Å; F60-R91 VanDerWaalsContact CE2-O 3.31Å; F60-R91 WeakPolarHBondContact CE2-O 3.38Å; F60-R91 HydrophobicContact CZ-CB 3.71Å; F60-R91 HydrophobicContact CZ-CG 4.28Å; F60-R91 WeakPolarHBondContact CZ-O 3.38Å; D87-R91 WeakPolarHBondContact O-CG 3.47Å; D87-R91 PolarHBondContact O-N 2.95Å; R91-E94 PolarHBondContact O-N 3.32Å; R91-Q95 PolarHBondContact O-N 3.26Å
92F97.2Very high96.5Very high0 Ų052.3 Ų52.30%024%0.236CC..Hα-helixtrans-64.2-45.1175.5-179.3-88.1000111.4T17 I31 I62 L88 M89 E90 E94 Q95 V96T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.31Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.45Å; I31-F92 HydrophobicContact CD1-CE2 4.42Å; I31-F92 HydrophobicContact CD1-CZ 4.02Å; I31-F92 HydrophobicContact CG1-CZ 4.46Å; I62-F92 HydrophobicContact CB-CD2 3.77Å; I62-F92 HydrophobicContact CB-CE2 3.92Å; I62-F92 HydrophobicContact CD1-CD2 3.97Å; I62-F92 HydrophobicContact CD1-CE2 3.87Å; I62-F92 HydrophobicContact CD1-CG 4.48Å; I62-F92 HydrophobicContact CD1-CZ 4.31Å; I62-F92 HydrophobicContact CG1-CE2 4.47Å; I62-F92 HydrophobicContact CG2-CD2 3.7Å; I62-F92 HydrophobicContact CG2-CE2 4.37Å; I62-F92 HydrophobicContact CG2-CG 4.45Å; L88-F92 VanDerWaalsContact O-CB 3.24Å; L88-F92 WeakPolarHBondContact O-CB 3.41Å; L88-F92 PolarHBondContact O-N 3.5Å; M89-F92 HydrophobicContact CE-CD1 4.15Å; M89-F92 WeakPolarHBondContact O-CB 3.31Å; M89-F92 PolarHBondContact O-N 3.02Å; E90-F92 VanDerWaalsContact C-N 3.26Å; E90-F92 PolarHBondContact O-N 3.5Å; F92-E94 PolarHBondContact O-N 3.16Å; F92-Q95 PolarHBondContact O-N 2.86Å; F92-V96 HydrophobicContact CD1-CG2 3.94Å; F92-V96 HydrophobicContact CE1-CG2 3.54Å; F92-V96 HydrophobicContact CZ-CG2 4.05Å; F92-V96 WeakPolarHBondContact O-CG2 3.31Å; F92-V96 PolarHBondContact O-N 2.88Å
93M97.8Very high96.5Very high9 Ų950.3 Ų50.34%0.04423%0.226CC..Hα-helixtrans-63.4-38.6176.9-74.1-56.6-65.400112.7M89 E90 Q95 V96 I97 L112 M130 F134M89-M93 HydrophobicContact CE-CG 3.7Å; M89-M93 HydrophobicContact CE-SD 3.65Å; M89-M93 WeakPolarHBondContact O-CG 3.45Å; M89-M93 PolarHBondContact O-N 3.12Å; E90-M93 PolarHBondContact O-N 3.36Å; E90-M93 VanDerWaalsContact O-N 3.12Å; M93-Q95 VanDerWaalsContact C-N 3.34Å; M93-Q95 PolarHBondContact O-N 3.35Å; M93-V96 WeakPolarHBondContact O-CB 3.29Å; M93-V96 PolarHBondContact O-N 3.41Å; M93-V96 VanDerWaalsContact O-N 3.16Å; M93-I97 VanDerWaalsContact O-CG1 3.31Å; M93-I97 WeakPolarHBondContact O-CG1 3.41Å; M93-I97 PolarHBondContact O-N 2.9Å; M93-L112 HydrophobicContact CE-CD2 4.01Å; M93-M130 HydrophobicContact CE-SD 4.05Å; M93-F134 HydrophobicContact CB-CE2 3.88Å; M93-F134 HydrophobicContact CB-CZ 4.14Å
94E96.3Very high96.5Very high65 Ų6553.9 Ų53.930%0.30424%0.241SC..Hα-helixtrans-54.7-50.5175.4-176.4-172.9-169.100110.9E90 R91 F92 V96 I97 F98 F134E90-E94 PolarHBondContact O-N 3.49Å; R91-E94 PolarHBondContact O-N 3.32Å; F92-E94 PolarHBondContact O-N 3.16Å; E94-V96 PolarHBondContact O-N 2.91Å; E94-I97 PolarHBondContact O-N 2.84Å; E94-F98 HydrophobicContact CG-CD2 3.75Å; E94-F98 HydrophobicContact CG-CE2 4.08Å; E94-F98 VanDerWaalsContact O-CD2 3.27Å; E94-F98 WeakPolarHBondContact O-CD2 3.35Å; E94-F98 PolarHBondContact O-N 3.33Å; E94-F134 HydrophobicContact CB-CE1 4.09Å; E94-F134 HydrophobicContact CB-CZ 4.11Å; E94-F134 HydrophobicContact CG-CE1 4.43Å
95Q96.3Very high96.5Very high46 Ų4648.5 Ų48.522%0.21522%0.217CC..Hα-helixtrans-67.6-36.7177.6-70.4-64.8-50.600112.3F60 I62 R91 F92 M93 I97 K99 Y100F60-Q95 HydrophobicContact CD2-CG 4.32Å; F60-Q95 HydrophobicContact CE2-CG 3.38Å; F60-Q95 HydrophobicContact CZ-CG 3.77Å; I62-Q95 HydrophobicContact CD1-CB 3.43Å; I62-Q95 VanDerWaalsContact CD1-CB 3.43Å; I62-Q95 HydrophobicContact CG1-CB 3.66Å; I62-Q95 HydrophobicContact CG1-CG 4.35Å; I62-Q95 HydrophobicContact CG2-CB 4.24Å; I62-Q95 HydrophobicContact CG2-CG 4.33Å; R91-Q95 PolarHBondContact O-N 3.26Å; F92-Q95 PolarHBondContact O-N 2.86Å; M93-Q95 VanDerWaalsContact C-N 3.34Å; M93-Q95 PolarHBondContact O-N 3.35Å; Q95-I97 VanDerWaalsContact C-N 3.3Å; Q95-I97 PolarHBondContact O-N 3.49Å; Q95-K99 WeakPolarHBondContact O-CA 3.28Å; Q95-K99 VanDerWaalsContact O-CB 3.23Å; Q95-K99 WeakPolarHBondContact O-CB 3.48Å; Q95-K99 PolarHBondContact O-N 3.24Å; Q95-Y100 PolarHBondContact O-N 3.49Å
96V97.9Very high96.5Very high0 Ų050.9 Ų50.90%023%0.226CC..Iπ-helixtrans-56.9-45.5173.2165.40000111V10 L19 I31 I62 F92 M93 E94 L101V10-V96 HydrophobicContact CG1-CG1 4.2Å; V10-V96 HydrophobicContact CG2-CG1 4.22Å; L19-V96 HydrophobicContact CB-CG1 4.49Å; L19-V96 HydrophobicContact CD1-CG1 4.28Å; L19-V96 HydrophobicContact CD2-CG1 4.16Å; L19-V96 HydrophobicContact CD2-CG2 4.38Å; I31-V96 HydrophobicContact CD1-CG2 4.36Å; I62-V96 HydrophobicContact CD1-CG2 3.95Å; F92-V96 HydrophobicContact CD1-CG2 3.94Å; F92-V96 HydrophobicContact CE1-CG2 3.54Å; F92-V96 HydrophobicContact CZ-CG2 4.05Å; F92-V96 WeakPolarHBondContact O-CG2 3.31Å; F92-V96 PolarHBondContact O-N 2.88Å; M93-V96 WeakPolarHBondContact O-CB 3.29Å; M93-V96 PolarHBondContact O-N 3.41Å; M93-V96 VanDerWaalsContact O-N 3.16Å; E94-V96 PolarHBondContact O-N 2.91Å; V96-L101 HydrophobicContact CG1-CD1 4.23Å; V96-L101 PolarHBondContact O-N 3.27Å
97I97.9Very high96.6Very high0 Ų053 Ų530%024%0.241CC..Iπ-helixtrans-72.4-56.8-176.9-66.1168.1000111.1M93 E94 Q95 L101 R102 A103 P105 F110 M130 F134M93-I97 VanDerWaalsContact O-CG1 3.31Å; M93-I97 WeakPolarHBondContact O-CG1 3.41Å; M93-I97 PolarHBondContact O-N 2.9Å; E94-I97 PolarHBondContact O-N 2.84Å; Q95-I97 VanDerWaalsContact C-N 3.3Å; Q95-I97 PolarHBondContact O-N 3.49Å; I97-L101 WeakPolarHBondContact O-CB 3.28Å; I97-R102 PolarHBondContact O-N 3.19Å; I97-A103 PolarHBondContact O-N 3.49Å; I97-P105 HydrophobicContact CG2-CB 4.22Å; I97-P105 HydrophobicContact CG2-CG 4.26Å; I97-F110 HydrophobicContact CD1-CE1 4.23Å; I97-F110 HydrophobicContact CD1-CZ 4.3Å; I97-F110 HydrophobicContact CG1-CE1 3.93Å; I97-F110 HydrophobicContact CG1-CZ 4.12Å; I97-F110 HydrophobicContact CG2-CZ 4.42Å; I97-M130 HydrophobicContact CD1-CE 4.45Å; I97-F134 HydrophobicContact CD1-CB 4.47Å; I97-F134 HydrophobicContact CD1-CD1 4.18Å; I97-F134 HydrophobicContact CD1-CD2 3.8Å; I97-F134 HydrophobicContact CD1-CE1 4.39Å; I97-F134 HydrophobicContact CD1-CE2 4.02Å; I97-F134 HydrophobicContact CD1-CG 3.9Å; I97-F134 HydrophobicContact CD1-CZ 4.33Å
98F97Very high96.7Very high93 Ų9348.3 Ų48.341%0.40822%0.215SC..Iπ-helixtrans-84.6-35.3-168.9-65.4-67.5000113.6E94 P105 F134E94-F98 HydrophobicContact CG-CD2 3.75Å; E94-F98 HydrophobicContact CG-CE2 4.08Å; E94-F98 VanDerWaalsContact O-CD2 3.27Å; E94-F98 WeakPolarHBondContact O-CD2 3.35Å; E94-F98 PolarHBondContact O-N 3.33Å; F98-P105 HydrophobicContact CE1-CG 4.24Å; F98-P105 HydrophobicContact CZ-CG 4.01Å; F98-F134 HydrophobicContact CE2-CD1 4.28Å; F98-F134 HydrophobicContact CE2-CE1 4.29Å
99K95.7Very high96.8Very high66 Ų6651 Ų5129%0.28723%0.226SC..Iπ-helixtrans-89.5-49.2-177.1177.2-179.7175.8177.10112.6E65 Q95 R102E65-K99 WeakPolarHBondContact OE1-CE 3.35Å; E65-K99 IonicContact OE1-NZ 2.68Å; E65-K99 PolarHBondContact OE1-NZ 3.2Å; E65-K99 IonicContact OE2-NZ 3.73Å; E65-K99 PolarHBondContact OE2-NZ 3.25Å; Q95-K99 WeakPolarHBondContact O-CA 3.28Å; Q95-K99 VanDerWaalsContact O-CB 3.23Å; Q95-K99 WeakPolarHBondContact O-CB 3.48Å; Q95-K99 PolarHBondContact O-N 3.24Å; K99-R102 WeakPolarHBondContact O-CG 3.49Å
100Y96.9Very high96.9Very high31 Ų3150.6 Ų50.612%0.12222%0.223CC..Iπ-helixtrans-86.8-57.4-174.4-71.5-90.2000112.6F29 I31 I62 Q95 R102F29-Y100 HydrophobicContact CB-CD1 4.44Å; F29-Y100 AromaticContact CD1-CD1 3.92Å; F29-Y100 HydrophobicContact CD1-CD1 3.92Å; F29-Y100 HydrophobicContact CE1-CD1 4.29Å; F29-Y100 VanDerWaalsContact CE2-O 3.23Å; F29-Y100 WeakPolarHBondContact CE2-O 3.39Å; F29-Y100 HydrophobicContact CG-CD1 4.06Å; I31-Y100 HydrophobicContact CD1-CD2 4.31Å; I31-Y100 HydrophobicContact CD1-CE1 4.45Å; I31-Y100 HydrophobicContact CD1-CE2 4.01Å; I31-Y100 HydrophobicContact CG2-CD1 4.24Å; I31-Y100 HydrophobicContact CG2-CE1 3.67Å; I62-Y100 HydrophobicContact CD1-CD2 4.06Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CE2 3.69Å; I62-Y100 PolarHBondContact O-OH 3.05Å; Q95-Y100 PolarHBondContact O-N 3.49Å; Y100-R102 VanDerWaalsContact C-N 3.32Å
101L97.1Very high97Very high8 Ų849.2 Ų49.24%0.04222%0.218CC..Iπ-helixtrans-68.4-35.1177.8-69.4170.7000111.3C8 V10 L19 Y21 V96 I97 A103 F110C8-L101 HydrophobicContact CB-CD1 4.02Å; V10-L101 HydrophobicContact CG2-CD1 4.27Å; L19-L101 HydrophobicContact CB-CD2 4.46Å; L19-L101 HydrophobicContact CD1-CD1 4.48Å; L19-L101 HydrophobicContact CD1-CD2 3.67Å; L19-L101 HydrophobicContact CD1-CG 3.66Å; Y21-L101 HydrophobicContact CE2-CD2 4.47Å; Y21-L101 PolarHBondContact OH-O 3.14Å; V96-L101 HydrophobicContact CG1-CD1 4.23Å; V96-L101 PolarHBondContact O-N 3.27Å; I97-L101 WeakPolarHBondContact O-CB 3.28Å; L101-A103 HydrophobicContact CB-CB 4.15Å; L101-A103 PolarHBondContact O-N 3.04Å; L101-F110 HydrophobicContact CD1-CE1 4.3Å
102R96.9Very high97.1Very high210 Ų21046.5 Ų46.579%0.79221%0.208SC*.  trans56.139.9-171.6-53.4-179.3177.4-172.9-1.2111.1I97 K99 Y100I97-R102 PolarHBondContact O-N 3.19Å; K99-R102 WeakPolarHBondContact O-CG 3.49Å; Y100-R102 VanDerWaalsContact C-N 3.32Å
103A95.4Very high97.1Very high5 Ų547.4 Ų47.44%0.04121%0.214CC..  trans-95.2145179.200000110.3I97 L101 P105I97-A103 PolarHBondContact O-N 3.49Å; L101-A103 HydrophobicContact CB-CB 4.15Å; L101-A103 PolarHBondContact O-N 3.04Å; A103-P105 WeakPolarHBondContact O-CD 3.37Å
104E96.8Very high97.1Very high101 Ų10147.3 Ų47.347%0.47221%0.213SC..  trans-82.7108.5159.2-173.961.2-108.300107.3E106 D107 H108E104-E106 PolarHBondContact O-N 2.88Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E104-D107 HydrophobicContact CB-CB 4.44Å; E104-D107 PolarHBondContact O-N 2.77Å; E104-H108 PolarHBondContact O-CD2 3.19Å
105P96.7Very high97.1Very high4 Ų445.4 Ų45.43%0.02621%0.206CC..G310 helixtrans-59.5-29.2-171.522.7-34.7000113.6I97 F98 A103 D107 H108 F110 F134 V136 P137I97-P105 HydrophobicContact CG2-CB 4.22Å; I97-P105 HydrophobicContact CG2-CG 4.26Å; F98-P105 HydrophobicContact CE1-CG 4.24Å; F98-P105 HydrophobicContact CZ-CG 4.01Å; A103-P105 WeakPolarHBondContact O-CD 3.37Å; P105-D107 PolarHBondContact O-N 2.91Å; P105-H108 PolarHBondContact O-N 3.04Å; P105-H108 VanDerWaalsContact O-O 3.13Å; P105-F110 HydrophobicContact CB-CE2 4.13Å; P105-F110 HydrophobicContact CB-CZ 4.36Å; P105-F134 HydrophobicContact CB-CB 4.19Å; P105-F134 WeakPolarHBondContact CB-O 3.45Å; P105-F134 HydrophobicContact CG-CB 4.35Å; P105-F134 WeakPolarHBondContact CG-O 3.34Å; P105-V136 HydrophobicContact CB-CG1 3.98Å; P105-P137 WeakPolarHBondContact O-CD 3.2Å
106E96.7Very high96.9Very high106 Ų10647.4 Ų47.450%0.49522%0.223SC..G310 helixtrans-65-23.4177.7-61.2-171.4177.600113.3E104 N135 P137E104-E106 PolarHBondContact O-N 2.88Å; E104-E106 VanDerWaalsContact O-N 3.15Å; E106-N135 HydrophobicContact CG-CB 3.79Å; E106-N135 PolarHBondContact OE1-ND2 3.45Å; E106-N135 VanDerWaalsContact OE1-ND2 3.12Å; E106-P137 WeakPolarHBondContact O-CD 3.37Å; E106-P137 VanDerWaalsContact O-CG 3.31Å; E106-P137 WeakPolarHBondContact O-CG 3.4Å
107D96.6Very high96.6Very high97 Ų9754.8 Ų54.852%0.51926%0.262SS..G310 helixtrans-95.5-8.1-178.1-72-32.7000113.6L5 E104 P105L5-D107 HydrophobicContact CD1-CB 3.77Å; E104-D107 HydrophobicContact CB-CB 4.44Å; E104-D107 PolarHBondContact O-N 2.77Å; P105-D107 PolarHBondContact O-N 2.91Å
108H97.1Very high96.4Very high14 Ų1455.9 Ų55.97%0.06527%0.268CS..  trans-123.9142-171.4-72.6-98.5000112.9L5 P6 Y21 E104 P105 F110 P137L5-H108 VanDerWaalsContact CD1-NE2 3.34Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.46Å; P6-H108 PolarHBondContact O-ND1 3.48Å; Y21-H108 AromaticContact CE1-CE1 3.48Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.48Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.49Å; Y21-H108 AromaticContact CE1-ND1 3.71Å; E104-H108 PolarHBondContact O-CD2 3.19Å; P105-H108 PolarHBondContact O-N 3.04Å; P105-H108 VanDerWaalsContact O-O 3.13Å; H108-F110 HydrophobicContact CB-CE2 4.04Å; H108-F110 WeakPolarHBondContact O-CD2 3.49Å; H108-P137 WeakPolarHBondContact O-CD 3.46Å; H108-P137 WeakPolarHBondContact O-CG 3.27Å
109Y97.9Very high96.4Very high69 Ų6954.2 Ų54.227%0.27127%0.265SS..  trans-83.3147.5166.5-70.3-92.4000109.9R4 A7 C8 P137 G138R4-Y109 HydrophobicContact CG-CD2 3.94Å; R4-Y109 HydrophobicContact CG-CE2 3.83Å; R4-Y109 VanDerWaalsContact CZ-CD2 3.44Å; R4-Y109 VanDerWaalsContact CZ-OH 3.23Å; R4-Y109 VanDerWaalsContact NH1-CZ 3.3Å; R4-Y109 PolarHBondContact NH1-OH 3.45Å; R4-Y109 VanDerWaalsContact NH2-CD1 3.33Å; A7-Y109 CarbonylContact C-O 3.58Å; A7-Y109 WeakPolarHBondContact CA-O 3.5Å; A7-Y109 WeakPolarHBondContact CB-O 3.46Å; C8-Y109 PolarHBondContact N-O 3.41Å; Y109-P137 HydrophobicContact CD2-CG 4.41Å; Y109-P137 HydrophobicContact CE1-CB 4.31Å; Y109-P137 HydrophobicContact CE1-CG 4.38Å; Y109-P137 WeakPolarHBondContact CE1-O 3.24Å; Y109-P137 HydrophobicContact CE2-CB 4.44Å; Y109-P137 HydrophobicContact CE2-CG 4.11Å; Y109-G138 WeakPolarHBondContact CA-O 3.36Å; Y109-G138 VanDerWaalsContact CD1-CA 3.49Å
110F98.4Very high96.5Very high3 Ų354.6 Ų54.61%0.01328%0.275CS..EExtended strand (participates in β ladder)trans-113.7133.6179.4-78.3-103000111.7C8 I97 L101 P105 H108 M130 V136 G138 L139 Y140C8-F110 HydrophobicContact CB-CD1 3.51Å; C8-F110 HydrophobicContact CB-CD2 4.37Å; C8-F110 HydrophobicContact CB-CE1 3.37Å; C8-F110 HydrophobicContact CB-CE2 4.26Å; C8-F110 HydrophobicContact CB-CG 4.04Å; C8-F110 HydrophobicContact CB-CZ 3.79Å; C8-F110 CarbonylContact O-C 3.44Å; C8-F110 WeakPolarHBondContact O-CA 3.39Å; I97-F110 HydrophobicContact CD1-CE1 4.23Å; I97-F110 HydrophobicContact CD1-CZ 4.3Å; I97-F110 HydrophobicContact CG1-CE1 3.93Å; I97-F110 HydrophobicContact CG1-CZ 4.12Å; I97-F110 HydrophobicContact CG2-CZ 4.42Å; L101-F110 HydrophobicContact CD1-CE1 4.3Å; P105-F110 HydrophobicContact CB-CE2 4.13Å; P105-F110 HydrophobicContact CB-CZ 4.36Å; H108-F110 HydrophobicContact CB-CE2 4.04Å; H108-F110 WeakPolarHBondContact O-CD2 3.49Å; F110-M130 HydrophobicContact CB-CE 3.8Å; F110-M130 HydrophobicContact CD1-CE 3.57Å; F110-M130 HydrophobicContact CD2-CE 4.06Å; F110-M130 HydrophobicContact CE1-CE 4.14Å; F110-M130 HydrophobicContact CG-CE 3.52Å; F110-V136 HydrophobicContact CD2-CB 4.13Å; F110-V136 HydrophobicContact CD2-CG1 3.53Å; F110-V136 HydrophobicContact CE2-CG1 3.71Å; F110-V136 HydrophobicContact CG-CG1 4.34Å; F110-G138 PolarHBondContact N-O 2.99Å; F110-L139 HydrophobicContact CB-CD1 3.9Å; F110-L139 CarbonylContact O-C 3.49Å; F110-L139 WeakPolarHBondContact O-CA 3.26Å; F110-Y140 PolarHBondContact O-N 3.46Å
111L98.4Very high96.5Very high39 Ų3958.1 Ų58.120%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-109.5112.1164.6-172.3154.5000108.1C8 V9 V10 T113 Y140 A142 L147C8-L111 PolarHBondContact O-N 3.2Å; V9-L111 WeakPolarHBondContact CA-O 3.41Å; V9-L111 HydrophobicContact CG1-CD2 4.12Å; V9-L111 HydrophobicContact CG2-CB 4.4Å; V10-L111 PolarHBondContact N-O 3.2Å; L111-T113 HydrophobicContact CD2-CG2 4.29Å; L111-Y140 CarbonylContact C-O 3.51Å; L111-Y140 VanDerWaalsContact CA-O 3.31Å; L111-Y140 WeakPolarHBondContact CA-O 3.21Å; L111-Y140 HydrophobicContact CD1-CD1 3.95Å; L111-Y140 HydrophobicContact CG-CD1 4.1Å; L111-A142 HydrophobicContact CD2-CB 4.35Å; L111-L147 HydrophobicContact CD2-CD1 3.97Å
112L98.3Very high96.5Very high11 Ų1158.8 Ų58.86%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-104.4155.2173.2-57.1-174.9000110V10 M93 T126 M130 L139 Y140 I141 A142V10-L112 HydrophobicContact CB-CD2 3.64Å; V10-L112 HydrophobicContact CG1-CD2 4.49Å; V10-L112 HydrophobicContact CG2-CD2 4.03Å; V10-L112 WeakPolarHBondContact O-CA 3.46Å; M93-L112 HydrophobicContact CE-CD2 4.01Å; L112-T126 HydrophobicContact CD1-CG2 3.54Å; L112-M130 HydrophobicContact CD1-CE 4.35Å; L112-M130 HydrophobicContact CD1-CG 3.85Å; L112-M130 HydrophobicContact CD1-SD 4.05Å; L112-L139 HydrophobicContact CD1-CD1 3.85Å; L112-L139 HydrophobicContact CG-CD1 3.81Å; L112-Y140 PolarHBondContact N-O 3.01Å; L112-I141 WeakPolarHBondContact O-CA 3.24Å; L112-A142 PolarHBondContact O-N 3.28Å
113T97.6Very high96.5Very high18 Ų1853.7 Ų53.711%0.1128%0.277CS..EExtended strand (participates in β ladder)trans-112.5148.6176.573.70000112.3V10 D11 L111 A142 Q144 L147V10-T113 PolarHBondContact O-N 2.64Å; D11-T113 WeakPolarHBondContact CA-OG1 3.23Å; D11-T113 HydrophobicContact CB-CG2 3.94Å; D11-T113 PolarHBondContact OD1-OG1 3.28Å; L111-T113 HydrophobicContact CD2-CG2 4.29Å; T113-A142 CarbonylContact C-O 3.59Å; T113-A142 VanDerWaalsContact CA-O 3.26Å; T113-A142 WeakPolarHBondContact CA-O 3.46Å; T113-Q144 PolarHBondContact OG1-NE2 2.91Å; T113-L147 HydrophobicContact CG2-CD1 3.49Å; T113-L147 VanDerWaalsContact CG2-CD1 3.49Å
114E97.1Very high96.6Very high8 Ų859.7 Ų59.74%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-136.2158173.969.8-174.116900111.5N118 R123 I141 A142 Q144E114-N118 HydrophobicContact CB-CB 4.13Å; E114-N118 HydrophobicContact CG-CB 4.32Å; E114-N118 PolarHBondContact OE2-ND2 3.23Å; E114-R123 VanDerWaalsContact CD-NE 3.31Å; E114-R123 IonicContact OE1-CZ 2.83Å; E114-R123 IonicContact OE1-NE 3.31Å; E114-R123 PolarHBondContact OE1-NE 2.92Å; E114-R123 IonicContact OE1-NH2 3.26Å; E114-R123 PolarHBondContact OE1-NH2 3.04Å; E114-R123 IonicContact OE2-CZ 3.63Å; E114-R123 IonicContact OE2-NE 2.6Å; E114-R123 PolarHBondContact OE2-NE 3.28Å; E114-R123 IonicContact OE2-NH2 3.08Å; E114-I141 HydrophobicContact CB-CG2 4.07Å; E114-I141 VanDerWaalsContact CD-CG2 3.4Å; E114-I141 HydrophobicContact CG-CG2 3.83Å; E114-A142 PolarHBondContact N-O 3.33Å; E114-Q144 WeakPolarHBondContact O-CG 3.46Å; E114-Q144 PolarHBondContact O-N 2.98Å
115P95.8Very high96.7Very high24 Ų2460.4 Ų60.416%0.15630%0.303CS..  trans-70.7157.1173.531.9-38.2000111.6G81 I82 L117 N118G81-P115 WeakPolarHBondContact O-CD 3.24Å; G81-P115 VanDerWaalsContact O-CG 3.29Å; G81-P115 WeakPolarHBondContact O-CG 3.26Å; I82-P115 HydrophobicContact CD1-CG 3.77Å; P115-L117 PolarHBondContact O-N 3.1Å; P115-N118 HydrophobicContact CG-CB 4.02Å; P115-N118 WeakPolarHBondContact O-CB 3.19Å; P115-N118 PolarHBondContact O-N 3.47Å; P115-N118 VanDerWaalsContact O-N 3.11Å
116P92.6Very high96.7Very high88 Ų8861.5 Ų61.557%0.57131%0.31SS*.THydrogen-bonded Turntrans-58.1-24.7180-24.933.5000115.4V143 A145P116-V143 HydrophobicContact CB-CG1 4.08Å; P116-V143 HydrophobicContact CG-CG1 3.81Å; P116-A145 HydrophobicContact CG-CB 4.36Å
117L91.6Very high96.8Very high156 Ų15657.7 Ų57.782%0.81730%0.296SS*.THydrogen-bonded Turntrans-105.720.7-177.7-61.3178.3000112.6P115P115-L117 PolarHBondContact O-N 3.1Å
118N94.9Very high96.9Very high23 Ų2357.6 Ų57.612%0.12329%0.293CS..  trans-65.7139172.4-162.732.3000110.2I82 E114 P115 N122I82-N118 HydrophobicContact CD1-CB 4.46Å; E114-N118 HydrophobicContact CB-CB 4.13Å; E114-N118 HydrophobicContact CG-CB 4.32Å; E114-N118 PolarHBondContact OE2-ND2 3.23Å; P115-N118 HydrophobicContact CG-CB 4.02Å; P115-N118 WeakPolarHBondContact O-CB 3.19Å; P115-N118 PolarHBondContact O-N 3.47Å; P115-N118 VanDerWaalsContact O-N 3.11Å; N118-N122 WeakPolarHBondContact OD1-CB 3.5Å; N118-N122 PolarHBondContact OD1-ND2 3.29Å; N118-N122 VanDerWaalsContact OD1-ND2 3.16Å
119T96Very high96.9Very high57 Ų5757.9 Ų57.935%0.3530%0.295SS..  trans-77153.6179.480.80000110.7E121 N122 R123T119-E121 WeakPolarHBondContact CB-OE2 3.21Å; T119-E121 PolarHBondContact O-N 2.99Å; T119-E121 PolarHBondContact OG1-OE2 3.17Å; T119-N122 PolarHBondContact O-N 2.97Å; T119-N122 PolarHBondContact OG1-N 3.22Å; T119-R123 PolarHBondContact O-N 2.86Å
120P96.8Very high96.9Very high74 Ų7454.8 Ų54.848%0.48128%0.282SS..Hα-helixtrans-56.3-37.2174.7-25.335.7000113N122 R123 E124P120-N122 PolarHBondContact O-N 3.29Å; P120-R123 WeakPolarHBondContact O-CB 3.28Å; P120-R123 PolarHBondContact O-N 3.35Å; P120-R123 VanDerWaalsContact O-N 3.13Å; P120-E124 WeakPolarHBondContact O-CG 3.46Å; P120-E124 PolarHBondContact O-N 3.48Å
121E97.4Very high96.9Very high106 Ų10659.2 Ų59.250%0.49530%0.302SS..Hα-helixtrans-64.2-42.9-179.5-56.375.6-165.200111.3T119 R123 E124 Y125T119-E121 WeakPolarHBondContact CB-OE2 3.21Å; T119-E121 PolarHBondContact O-N 2.99Å; T119-E121 PolarHBondContact OG1-OE2 3.17Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 3.28Å; E121-E124 WeakPolarHBondContact O-CB 3.5Å; E121-E124 PolarHBondContact O-N 2.8Å; E121-Y125 WeakPolarHBondContact O-CD2 3.22Å; E121-Y125 PolarHBondContact O-N 3.37Å
122N97.2Very high96.9Very high22 Ų2264.1 Ų64.112%0.11832%0.324CS..Hα-helixtrans-63.7-36.1174.5-73.9-9000112.2I82 W86 N118 T119 P120 E124 T126I82-N122 WeakPolarHBondContact CG2-ND2 3.46Å; W86-N122 HydrophobicContact CH2-CB 4.19Å; W86-N122 WeakPolarHBondContact CH2-O 3.28Å; W86-N122 HydrophobicContact CZ2-CB 3.74Å; N118-N122 WeakPolarHBondContact OD1-CB 3.5Å; N118-N122 PolarHBondContact OD1-ND2 3.29Å; N118-N122 VanDerWaalsContact OD1-ND2 3.16Å; T119-N122 PolarHBondContact O-N 2.97Å; T119-N122 PolarHBondContact OG1-N 3.22Å; P120-N122 PolarHBondContact O-N 3.29Å; N122-E124 VanDerWaalsContact C-N 3.34Å; N122-T126 PolarHBondContact O-N 3.08Å; N122-T126 PolarHBondContact O-OG1 3.2Å
123R97.3Very high96.8Very high103 Ų10366.5 Ų66.539%0.38934%0.341SS..Hα-helixtrans-66.6-39.2175.3-169.3-175-68.9142.3-1.8111E114 T119 P120 E121 T126 A127 I141E114-R123 VanDerWaalsContact CD-NE 3.31Å; E114-R123 IonicContact OE1-CZ 2.83Å; E114-R123 IonicContact OE1-NE 3.31Å; E114-R123 PolarHBondContact OE1-NE 2.92Å; E114-R123 IonicContact OE1-NH2 3.26Å; E114-R123 PolarHBondContact OE1-NH2 3.04Å; E114-R123 IonicContact OE2-CZ 3.63Å; E114-R123 IonicContact OE2-NE 2.6Å; E114-R123 PolarHBondContact OE2-NE 3.28Å; E114-R123 IonicContact OE2-NH2 3.08Å; T119-R123 PolarHBondContact O-N 2.86Å; P120-R123 WeakPolarHBondContact O-CB 3.28Å; P120-R123 PolarHBondContact O-N 3.35Å; P120-R123 VanDerWaalsContact O-N 3.13Å; E121-R123 VanDerWaalsContact C-N 3.28Å; E121-R123 PolarHBondContact O-N 3.28Å; R123-T126 PolarHBondContact O-N 2.9Å; R123-A127 PolarHBondContact O-N 3.08Å; R123-I141 HydrophobicContact CG-CB 4.46Å; R123-I141 HydrophobicContact CG-CD1 3.53Å; R123-I141 HydrophobicContact CG-CG2 4.34Å
124E97.9Very high96.8Very high131 Ų13166.4 Ų66.461%0.61234%0.339SS*.Hα-helixtrans-63.8-47.9174.4-73.1172.9-169.500111.5P120 E121 N122 T126 A127 E128P120-E124 WeakPolarHBondContact O-CG 3.46Å; P120-E124 PolarHBondContact O-N 3.48Å; E121-E124 WeakPolarHBondContact O-CB 3.5Å; E121-E124 PolarHBondContact O-N 2.8Å; N122-E124 VanDerWaalsContact C-N 3.34Å; E124-T126 VanDerWaalsContact C-N 3.28Å; E124-T126 PolarHBondContact O-N 3.49Å; E124-A127 CarbonylContact O-C 3.58Å; E124-A127 WeakPolarHBondContact O-CA 3.48Å; E124-A127 WeakPolarHBondContact O-CB 3.47Å; E124-A127 PolarHBondContact O-N 3.27Å; E124-E128 WeakPolarHBondContact O-CB 3.45Å; E124-E128 PolarHBondContact O-N 2.85Å
125Y97.9Very high96.8Very high116 Ų11670.1 Ų70.146%0.45536%0.36SS..Hα-helixtrans-58.3-39.9174.9-75.7-55.4000112.8W86 E121 A127 E128 I129W86-Y125 HydrophobicContact CZ2-CD2 4.35Å; E121-Y125 WeakPolarHBondContact O-CD2 3.22Å; E121-Y125 PolarHBondContact O-N 3.37Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.42Å; Y125-E128 PolarHBondContact O-N 2.89Å; Y125-I129 WeakPolarHBondContact O-CG1 3.29Å; Y125-I129 PolarHBondContact O-N 2.87Å
126T97.7Very high96.9Very high27 Ų2769.3 Ų69.317%0.16635%0.354CS..Hα-helixtrans-61.2-43.4174.5-56.70000111W86 L112 N122 R123 E124 M130 I141W86-T126 WeakPolarHBondContact CH2-OG1 3.32Å; L112-T126 HydrophobicContact CD1-CG2 3.54Å; N122-T126 PolarHBondContact O-N 3.08Å; N122-T126 PolarHBondContact O-OG1 3.2Å; R123-T126 PolarHBondContact O-N 2.9Å; E124-T126 VanDerWaalsContact C-N 3.28Å; E124-T126 PolarHBondContact O-N 3.49Å; T126-M130 WeakPolarHBondContact O-CB 3.44Å; T126-M130 WeakPolarHBondContact O-CG 3.43Å; T126-M130 PolarHBondContact O-N 2.92Å; T126-I141 HydrophobicContact CG2-CD1 4Å
127A98.1Very high97.1Very high26 Ų2667.8 Ų67.822%0.21534%0.344CS..Hα-helixtrans-67.8-42.1178.500000112R123 E124 Y125 M130 F131 L139R123-A127 PolarHBondContact O-N 3.08Å; E124-A127 CarbonylContact O-C 3.58Å; E124-A127 WeakPolarHBondContact O-CA 3.48Å; E124-A127 WeakPolarHBondContact O-CB 3.47Å; E124-A127 PolarHBondContact O-N 3.27Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.42Å; A127-M130 PolarHBondContact O-N 3.05Å; A127-F131 HydrophobicContact CB-CD2 4.26Å; A127-F131 HydrophobicContact CB-CE2 4.43Å; A127-F131 WeakPolarHBondContact O-CB 3.21Å; A127-F131 VanDerWaalsContact O-CD2 3.22Å; A127-F131 WeakPolarHBondContact O-CD2 3.44Å; A127-F131 PolarHBondContact O-N 3.16Å; A127-L139 HydrophobicContact CB-CD2 4.02Å
128E98.3Very high97.4Very high95 Ų9561 Ų6144%0.44431%0.312SS..Hα-helixtrans-55.7-53.2176-174.5-179.4159.900110.8E124 Y125 M130 F131 E132E124-E128 WeakPolarHBondContact O-CB 3.45Å; E124-E128 PolarHBondContact O-N 2.85Å; Y125-E128 PolarHBondContact O-N 2.89Å; E128-M130 VanDerWaalsContact C-N 3.34Å; E128-M130 PolarHBondContact O-N 3.42Å; E128-F131 PolarHBondContact O-N 3.11Å; E128-E132 HydrophobicContact CG-CG 4.31Å; E128-E132 VanDerWaalsContact O-CB 3.28Å; E128-E132 WeakPolarHBondContact O-CB 3.34Å; E128-E132 WeakPolarHBondContact O-CG 3.46Å; E128-E132 PolarHBondContact O-N 3.07Å
129I97.9Very high97.5Very high20 Ų2061.7 Ų61.710%0.10332%0.315CS..Iπ-helixtrans-56-49.1177-70.4165.8000111.1W86 E90 Y125 F131 S133 F134W86-I129 HydrophobicContact CE3-CD1 3.69Å; W86-I129 HydrophobicContact CZ3-CD1 4.24Å; E90-I129 HydrophobicContact CB-CD1 4.21Å; E90-I129 HydrophobicContact CB-CG2 4.36Å; E90-I129 HydrophobicContact CG-CG2 3.9Å; Y125-I129 WeakPolarHBondContact O-CG1 3.29Å; Y125-I129 PolarHBondContact O-N 2.87Å; I129-F131 PolarHBondContact O-N 2.99Å; I129-S133 WeakPolarHBondContact O-CA 3.35Å; I129-S133 WeakPolarHBondContact O-CB 3.41Å; I129-S133 PolarHBondContact O-N 3.17Å; I129-F134 HydrophobicContact CG2-CD2 4.01Å; I129-F134 HydrophobicContact CG2-CE2 3.53Å; I129-F134 HydrophobicContact CG2-CZ 4.43Å; I129-F134 PolarHBondContact O-N 3.03Å
130M98.4Very high97.6Very high3 Ų366 Ų662%0.01533%0.326CS..Iπ-helixtrans-67.2-38.7-175.5-67.7-61.2-66.400113.3M93 I97 F110 L112 T126 A127 E128 F134 N135 V136 L139M93-M130 HydrophobicContact CE-SD 4.05Å; I97-M130 HydrophobicContact CD1-CE 4.45Å; F110-M130 HydrophobicContact CB-CE 3.8Å; F110-M130 HydrophobicContact CD1-CE 3.57Å; F110-M130 HydrophobicContact CD2-CE 4.06Å; F110-M130 HydrophobicContact CE1-CE 4.14Å; F110-M130 HydrophobicContact CG-CE 3.52Å; L112-M130 HydrophobicContact CD1-CE 4.35Å; L112-M130 HydrophobicContact CD1-CG 3.85Å; L112-M130 HydrophobicContact CD1-SD 4.05Å; T126-M130 WeakPolarHBondContact O-CB 3.44Å; T126-M130 WeakPolarHBondContact O-CG 3.43Å; T126-M130 PolarHBondContact O-N 2.92Å; A127-M130 PolarHBondContact O-N 3.05Å; E128-M130 VanDerWaalsContact C-N 3.34Å; E128-M130 PolarHBondContact O-N 3.42Å; M130-F134 CarbonylContact O-C 3.57Å; M130-F134 HydrophobicContact SD-CD2 3.8Å; M130-F134 HydrophobicContact SD-CE2 4.3Å; M130-N135 PolarHBondContact O-N 3.34Å; M130-V136 HydrophobicContact CB-CG2 4.04Å; M130-V136 HydrophobicContact CE-CG1 3.85Å; M130-V136 WeakPolarHBondContact O-CG2 3.47Å; M130-V136 PolarHBondContact O-N 3.32Å; M130-L139 HydrophobicContact CB-CD1 4.41Å; M130-L139 HydrophobicContact CB-CD2 3.93Å; M130-L139 HydrophobicContact CE-CD1 4.42Å; M130-L139 HydrophobicContact CG-CD1 4.19Å; M130-L139 HydrophobicContact CG-CD2 4.15Å
131F98.4Very high97.7Very high97 Ų9764 Ų6443%0.42531%0.311SS..Iπ-helixtrans-84.8-44.2-179-75.7-61.3000113.1A127 E128 I129 N135 V136 L139A127-F131 HydrophobicContact CB-CD2 4.26Å; A127-F131 HydrophobicContact CB-CE2 4.43Å; A127-F131 WeakPolarHBondContact O-CB 3.21Å; A127-F131 VanDerWaalsContact O-CD2 3.22Å; A127-F131 WeakPolarHBondContact O-CD2 3.44Å; A127-F131 PolarHBondContact O-N 3.16Å; E128-F131 PolarHBondContact O-N 3.11Å; I129-F131 PolarHBondContact O-N 2.99Å; F131-N135 VanDerWaalsContact O-CA 3.29Å; F131-N135 WeakPolarHBondContact O-CA 3.36Å; F131-N135 PolarHBondContact O-N 2.83Å; F131-N135 PolarHBondContact O-OD1 3.15Å; F131-V136 HydrophobicContact CD1-CG2 3.86Å; F131-V136 VanDerWaalsContact CD1-O 3.28Å; F131-V136 WeakPolarHBondContact CD1-O 3.16Å; F131-V136 HydrophobicContact CE1-CG2 3.9Å; F131-V136 WeakPolarHBondContact CE1-O 3.2Å; F131-L139 HydrophobicContact CE1-CB 4.43Å; F131-L139 HydrophobicContact CE2-CB 3.92Å; F131-L139 HydrophobicContact CE2-CD2 4.21Å; F131-L139 HydrophobicContact CZ-CB 3.69Å
132E97.7Very high97.7Very high142 Ų14259.1 Ų59.166%0.66429%0.289SS*.Iπ-helixtrans-86.1-34.1-172.6-57.9-165.9-177.400112.7E128E128-E132 HydrophobicContact CG-CG 4.31Å; E128-E132 VanDerWaalsContact O-CB 3.28Å; E128-E132 WeakPolarHBondContact O-CB 3.34Å; E128-E132 WeakPolarHBondContact O-CG 3.46Å; E128-E132 PolarHBondContact O-N 3.07Å
133S96Very high97.7Very high61 Ų6160.1 Ų60.143%0.42730%0.296SS..Iπ-helixtrans-95.4-36.9-177.7-52.20000112.3E90 I129E90-S133 PolarHBondContact OE1-OG 2.92Å; I129-S133 WeakPolarHBondContact O-CA 3.35Å; I129-S133 WeakPolarHBondContact O-CB 3.41Å; I129-S133 PolarHBondContact O-N 3.17Å
134F97.1Very high97.6Very high15 Ų1558.1 Ų58.17%0.06629%0.291CS..THydrogen-bonded Turntrans-106.9-1.4-178.3-56.7-54.2000114.9E90 M93 E94 I97 F98 P105 I129 M130 V136E90-F134 HydrophobicContact CG-CZ 4.42Å; M93-F134 HydrophobicContact CB-CE2 3.88Å; M93-F134 HydrophobicContact CB-CZ 4.14Å; E94-F134 HydrophobicContact CB-CE1 4.09Å; E94-F134 HydrophobicContact CB-CZ 4.11Å; E94-F134 HydrophobicContact CG-CE1 4.43Å; I97-F134 HydrophobicContact CD1-CB 4.47Å; I97-F134 HydrophobicContact CD1-CD1 4.18Å; I97-F134 HydrophobicContact CD1-CD2 3.8Å; I97-F134 HydrophobicContact CD1-CE1 4.39Å; I97-F134 HydrophobicContact CD1-CE2 4.02Å; I97-F134 HydrophobicContact CD1-CG 3.9Å; I97-F134 HydrophobicContact CD1-CZ 4.33Å; F98-F134 HydrophobicContact CE2-CD1 4.28Å; F98-F134 HydrophobicContact CE2-CE1 4.29Å; P105-F134 HydrophobicContact CB-CB 4.19Å; P105-F134 WeakPolarHBondContact CB-O 3.45Å; P105-F134 HydrophobicContact CG-CB 4.35Å; P105-F134 WeakPolarHBondContact CG-O 3.34Å; I129-F134 HydrophobicContact CG2-CD2 4.01Å; I129-F134 HydrophobicContact CG2-CE2 3.53Å; I129-F134 HydrophobicContact CG2-CZ 4.43Å; I129-F134 PolarHBondContact O-N 3.03Å; M130-F134 CarbonylContact O-C 3.57Å; M130-F134 HydrophobicContact SD-CD2 3.8Å; M130-F134 HydrophobicContact SD-CE2 4.3Å; F134-V136 HydrophobicContact CB-CG1 4.23Å; F134-V136 PolarHBondContact O-N 2.6Å; F134-V136 VanDerWaalsContact O-N 3.14Å
135N97.6Very high97.5Very high87 Ų8754.8 Ų54.847%0.46529%0.286SS..  trans52.534.2176.6-64.1-27.7000114.9E106 M130 F131E106-N135 HydrophobicContact CG-CB 3.79Å; E106-N135 PolarHBondContact OE1-ND2 3.45Å; E106-N135 VanDerWaalsContact OE1-ND2 3.12Å; M130-N135 PolarHBondContact O-N 3.34Å; F131-N135 VanDerWaalsContact O-CA 3.29Å; F131-N135 WeakPolarHBondContact O-CA 3.36Å; F131-N135 PolarHBondContact O-N 2.83Å; F131-N135 PolarHBondContact O-OD1 3.15Å
136V97.7Very high97.4Very high6 Ų653.7 Ų53.74%0.03629%0.291CS..  trans-64.8138.2-176.6-58.80000111.7P105 F110 M130 F131 F134 G138 L139P105-V136 HydrophobicContact CB-CG1 3.98Å; F110-V136 HydrophobicContact CD2-CB 4.13Å; F110-V136 HydrophobicContact CD2-CG1 3.53Å; F110-V136 HydrophobicContact CE2-CG1 3.71Å; F110-V136 HydrophobicContact CG-CG1 4.34Å; M130-V136 HydrophobicContact CB-CG2 4.04Å; M130-V136 HydrophobicContact CE-CG1 3.85Å; M130-V136 WeakPolarHBondContact O-CG2 3.47Å; M130-V136 PolarHBondContact O-N 3.32Å; F131-V136 HydrophobicContact CD1-CG2 3.86Å; F131-V136 VanDerWaalsContact CD1-O 3.28Å; F131-V136 WeakPolarHBondContact CD1-O 3.16Å; F131-V136 HydrophobicContact CE1-CG2 3.9Å; F131-V136 WeakPolarHBondContact CE1-O 3.2Å; F134-V136 HydrophobicContact CB-CG1 4.23Å; F134-V136 PolarHBondContact O-N 2.6Å; F134-V136 VanDerWaalsContact O-N 3.14Å; V136-G138 PolarHBondContact O-N 2.74Å; V136-L139 HydrophobicContact CG2-CB 4.32Å
137P97.1Very high97.3Very high57 Ų5755.1 Ų55.137%0.3730%0.297SS..SBendtrans-71.1-12.2179.831-38.9000113P105 E106 H108 Y109P105-P137 WeakPolarHBondContact O-CD 3.2Å; E106-P137 WeakPolarHBondContact O-CD 3.37Å; E106-P137 VanDerWaalsContact O-CG 3.31Å; E106-P137 WeakPolarHBondContact O-CG 3.4Å; H108-P137 WeakPolarHBondContact O-CD 3.46Å; H108-P137 WeakPolarHBondContact O-CG 3.27Å; Y109-P137 HydrophobicContact CD2-CG 4.41Å; Y109-P137 HydrophobicContact CE1-CB 4.31Å; Y109-P137 HydrophobicContact CE1-CG 4.38Å; Y109-P137 WeakPolarHBondContact CE1-O 3.24Å; Y109-P137 HydrophobicContact CE2-CB 4.44Å; Y109-P137 HydrophobicContact CE2-CG 4.11Å
138G97.3Very high97.1Very high13 Ų1357 Ų5713%0.13431%0.313CS..  trans178.5149.3170.600000113.4Y109 F110 V136Y109-G138 WeakPolarHBondContact CA-O 3.36Å; Y109-G138 VanDerWaalsContact CD1-CA 3.49Å; F110-G138 PolarHBondContact N-O 2.99Å; V136-G138 PolarHBondContact O-N 2.74Å
139L98.4Very high96.9Very high37 Ų3757.3 Ų57.319%0.19432%0.317CS..EExtended strand (participates in β ladder)trans-130.3137.5-173.9179.266.8000110F110 L112 A127 M130 F131 V136 I141F110-L139 HydrophobicContact CB-CD1 3.9Å; F110-L139 CarbonylContact O-C 3.49Å; F110-L139 WeakPolarHBondContact O-CA 3.26Å; L112-L139 HydrophobicContact CD1-CD1 3.85Å; L112-L139 HydrophobicContact CG-CD1 3.81Å; A127-L139 HydrophobicContact CB-CD2 4.02Å; M130-L139 HydrophobicContact CB-CD1 4.41Å; M130-L139 HydrophobicContact CB-CD2 3.93Å; M130-L139 HydrophobicContact CE-CD1 4.42Å; M130-L139 HydrophobicContact CG-CD1 4.19Å; M130-L139 HydrophobicContact CG-CD2 4.15Å; F131-L139 HydrophobicContact CE1-CB 4.43Å; F131-L139 HydrophobicContact CE2-CB 3.92Å; F131-L139 HydrophobicContact CE2-CD2 4.21Å; F131-L139 HydrophobicContact CZ-CB 3.69Å; V136-L139 HydrophobicContact CG2-CB 4.32Å; L139-I141 HydrophobicContact CD1-CG1 4.44Å; L139-I141 HydrophobicContact CD2-CD1 3.99Å; L139-I141 HydrophobicContact CD2-CG1 4.04Å; L139-I141 HydrophobicContact CG-CG1 4.05Å
140Y98.3Very high96.6Very high149 Ų14958.3 Ų58.358%0.58433%0.328SS*.EExtended strand (participates in β ladder)trans-124.3127166.2-174.5-113.6000109.3F110 L111 L112 A142F110-Y140 PolarHBondContact O-N 3.46Å; L111-Y140 CarbonylContact C-O 3.51Å; L111-Y140 VanDerWaalsContact CA-O 3.31Å; L111-Y140 WeakPolarHBondContact CA-O 3.21Å; L111-Y140 HydrophobicContact CD1-CD1 3.95Å; L111-Y140 HydrophobicContact CG-CD1 4.1Å; L112-Y140 PolarHBondContact N-O 3.01Å; Y140-A142 HydrophobicContact CD1-CB 4.01Å; Y140-A142 HydrophobicContact CE1-CB 3.62Å
141I98.1Very high96.2Very high31 Ų3161.2 Ų61.216%0.15935%0.352CS..EExtended strand (participates in β ladder)trans-108.6118.9176.2-55174.3000107.5L112 E114 R123 T126 L139L112-I141 WeakPolarHBondContact O-CA 3.24Å; E114-I141 HydrophobicContact CB-CG2 4.07Å; E114-I141 VanDerWaalsContact CD-CG2 3.4Å; E114-I141 HydrophobicContact CG-CG2 3.83Å; R123-I141 HydrophobicContact CG-CB 4.46Å; R123-I141 HydrophobicContact CG-CD1 3.53Å; R123-I141 HydrophobicContact CG-CG2 4.34Å; T126-I141 HydrophobicContact CG2-CD1 4Å; L139-I141 HydrophobicContact CD1-CG1 4.44Å; L139-I141 HydrophobicContact CD2-CD1 3.99Å; L139-I141 HydrophobicContact CD2-CG1 4.04Å; L139-I141 HydrophobicContact CG-CG1 4.05Å
142A97.4Very high95.8Very high4 Ų458.9 Ų58.93%0.03335%0.349CS..EExtended strand (participates in β ladder)trans-116.2141.8-172.300000111.8L111 L112 T113 E114 Y140 Q144 L147L111-A142 HydrophobicContact CD2-CB 4.35Å; L112-A142 PolarHBondContact O-N 3.28Å; T113-A142 CarbonylContact C-O 3.59Å; T113-A142 VanDerWaalsContact CA-O 3.26Å; T113-A142 WeakPolarHBondContact CA-O 3.46Å; E114-A142 PolarHBondContact N-O 3.33Å; Y140-A142 HydrophobicContact CD1-CB 4.01Å; Y140-A142 HydrophobicContact CE1-CB 3.62Å; A142-Q144 PolarHBondContact O-N 2.85Å; A142-L147 HydrophobicContact CB-CD1 3.82Å; A142-L147 HydrophobicContact CB-CD2 3.9Å; A142-L147 HydrophobicContact CB-CG 3.89Å
143V97.4Very high95.3Very high42 Ų4261.8 Ų61.826%0.25535%0.353SS..EExtended strand (participates in β ladder)trans-73.8127175178.40000110P116 A145 V146 L147P116-V143 HydrophobicContact CB-CG1 4.08Å; P116-V143 HydrophobicContact CG-CG1 3.81Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 HydrophobicContact CG1-CB 4.37Å; V143-A145 PolarHBondContact O-N 3.31Å; V143-V146 HydrophobicContact CB-CG2 4.15Å; V143-V146 HydrophobicContact CG1-CG2 4.49Å; V143-V146 WeakPolarHBondContact O-CB 3.5Å; V143-V146 PolarHBondContact O-N 3.05Å; V143-L147 PolarHBondContact O-N 3.43Å
144Q95.8Very high94Very high62 Ų6264.9 Ų64.929%0.2937%0.37SS..Hα-helixtrans-52.4-42.1-176.7-73.1170.9-27.700113.6D11 T113 E114 A142 V146 L147 A148D11-Q144 PolarHBondContact OD1-NE2 2.86Å; T113-Q144 PolarHBondContact OG1-NE2 2.91Å; E114-Q144 WeakPolarHBondContact O-CG 3.46Å; E114-Q144 PolarHBondContact O-N 2.98Å; A142-Q144 PolarHBondContact O-N 2.85Å; Q144-V146 VanDerWaalsContact C-N 3.27Å; Q144-V146 PolarHBondContact O-N 3.03Å; Q144-L147 PolarHBondContact O-N 3.4Å; Q144-A148 WeakPolarHBondContact O-CB 2.95Å; Q144-A148 PolarHBondContact O-N 2.88Å
145A94.9Very high92.5Very high61 Ų6167.8 Ų67.850%0.50439%0.392SS..Hα-helixtrans-62.3-33.7179.700000113P116 V143 L149P116-A145 HydrophobicContact CG-CB 4.36Å; V143-A145 VanDerWaalsContact C-N 3.29Å; V143-A145 HydrophobicContact CG1-CB 4.37Å; V143-A145 PolarHBondContact O-N 3.31Å; A145-L149 PolarHBondContact O-N 3.13Å; A145-L149 VanDerWaalsContact O-N 3.11Å
146V95.7Very high90.5Very high93 Ų9374 Ų7456%0.56441%0.409SS*.Hα-helixtrans-72.8-41.7177.7-1800000110.3V143 Q144 A148 L149 A150V143-V146 HydrophobicContact CB-CG2 4.15Å; V143-V146 HydrophobicContact CG1-CG2 4.49Å; V143-V146 WeakPolarHBondContact O-CB 3.5Å; V143-V146 PolarHBondContact O-N 3.05Å; Q144-V146 VanDerWaalsContact C-N 3.27Å; Q144-V146 PolarHBondContact O-N 3.03Å; V146-A148 VanDerWaalsContact C-N 3.34Å; V146-L149 WeakPolarHBondContact O-CB 3.38Å; V146-L149 PolarHBondContact O-N 3.4Å; V146-A150 PolarHBondContact O-N 3.36Å
147L95.1Very high88.3Confident57 Ų5780.9 Ų80.930%0.29844%0.441SS..Hα-helixtrans-64.6-39175.1-63.9-177.7000112.1L111 T113 A142 V143 Q144 L149 A150 A151L111-L147 HydrophobicContact CD2-CD1 3.97Å; T113-L147 HydrophobicContact CG2-CD1 3.49Å; T113-L147 VanDerWaalsContact CG2-CD1 3.49Å; A142-L147 HydrophobicContact CB-CD1 3.82Å; A142-L147 HydrophobicContact CB-CD2 3.9Å; A142-L147 HydrophobicContact CB-CG 3.89Å; V143-L147 PolarHBondContact O-N 3.43Å; Q144-L147 PolarHBondContact O-N 3.4Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.31Å; L147-A150 PolarHBondContact O-N 3.03Å; L147-A151 PolarHBondContact O-N 2.9Å
148A94.2Very high86.4Confident66 Ų6684.8 Ų84.855%0.54546%0.464SS..Hα-helixtrans-61.8-39.8174.300000111.7Q144 V146 A151 S152Q144-A148 WeakPolarHBondContact O-CB 2.95Å; Q144-A148 PolarHBondContact O-N 2.88Å; V146-A148 VanDerWaalsContact C-N 3.34Å; A148-A151 PolarHBondContact O-N 3.19Å; A148-S152 PolarHBondContact O-N 2.78Å
149L94.1Very high84.4Confident101 Ų10187.3 Ų87.353%0.52949%0.49SS..Hα-helixtrans-64.7-44.5173.2-179.363.4000111.6A145 V146 L147 A151 S152A145-L149 PolarHBondContact O-N 3.13Å; A145-L149 VanDerWaalsContact O-N 3.11Å; V146-L149 WeakPolarHBondContact O-CB 3.38Å; V146-L149 PolarHBondContact O-N 3.4Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.31Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.81Å; L149-S152 WeakPolarHBondContact O-CB 3.17Å; L149-S152 PolarHBondContact O-N 2.82Å; L149-S152 PolarHBondContact O-OG 3.2Å
150A92.6Very high82.2Confident41 Ų4193.2 Ų93.234%0.33952%0.516SS..Hα-helixtrans-60.8-38.6177.100000112.1V146 L147 S152 W153V146-A150 PolarHBondContact O-N 3.36Å; L147-A150 PolarHBondContact O-N 3.03Å; A150-S152 PolarHBondContact O-N 3.34Å; A150-W153 WeakPolarHBondContact O-CB 3.07Å; A150-W153 PolarHBondContact O-N 3.3Å; A150-W153 VanDerWaalsContact O-N 3.07Å
151A90.3Very high79.9Confident63 Ų63101.3 Ų101.352%0.52155%0.546SS..Hα-helixtrans-60.5-30.417400000112.5L147 A148 L149 W153 T154L147-A151 PolarHBondContact O-N 2.9Å; A148-A151 PolarHBondContact O-N 3.19Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.81Å; A151-W153 VanDerWaalsContact C-N 3.27Å; A151-W153 PolarHBondContact O-N 3.17Å; A151-T154 PolarHBondContact O-OG1 3.17Å
152S88.9Confident79Confident49 Ų49104.8 Ų104.834%0.34357%0.565SS.*Hα-helixtrans-70.5-18.9176.279.20000114A148 L149 A150 T154 S155A148-S152 PolarHBondContact O-N 2.78Å; L149-S152 WeakPolarHBondContact O-CB 3.17Å; L149-S152 PolarHBondContact O-N 2.82Å; L149-S152 PolarHBondContact O-OG 3.2Å; A150-S152 PolarHBondContact O-N 3.34Å; S152-T154 VanDerWaalsContact C-N 3.25Å; S152-T154 PolarHBondContact O-N 3.31Å; S152-S155 WeakPolarHBondContact O-CA 3.47Å; S152-S155 WeakPolarHBondContact O-CB 3.43Å; S152-S155 PolarHBondContact O-N 3.26Å; S152-S155 PolarHBondContact O-OG 3.49Å
153W86.8Confident78Confident202 Ų202110.1 Ų110.177%0.76559%0.593SS**Hα-helixtrans-69.6-25.3179.6-64.3-6.1000112.9A150 A151A150-W153 WeakPolarHBondContact O-CB 3.07Å; A150-W153 PolarHBondContact O-N 3.3Å; A150-W153 VanDerWaalsContact O-N 3.07Å; A151-W153 VanDerWaalsContact C-N 3.27Å; A151-W153 PolarHBondContact O-N 3.17Å
154T70.3Confident77Confident126 Ų126113.9 Ų113.977%0.77361%0.612SS**THydrogen-bonded Turntrans-77-14.8171.565.40000111.8A151 S152 R156A151-T154 PolarHBondContact O-OG1 3.17Å; S152-T154 VanDerWaalsContact C-N 3.25Å; S152-T154 PolarHBondContact O-N 3.31Å; T154-R156 PolarHBondContact O-N 3.43Å
155S63.9Low75.9Confident77 Ų77116.9 Ų116.954%0.53863%0.631SS.*  trans-86.977.8175.9760000111.8S152S152-S155 WeakPolarHBondContact O-CA 3.47Å; S152-S155 WeakPolarHBondContact O-CB 3.43Å; S152-S155 PolarHBondContact O-N 3.26Å; S152-S155 PolarHBondContact O-OG 3.49Å
156R57.2Low74.7Confident216 Ų216120.4 Ų120.482%0.81564%0.639SS**  trans-173.9129.4153.1-102.4156.2-172.4-167.53110.1T154 V158T154-R156 PolarHBondContact O-N 3.43Å; R156-V158 HydrophobicContact CG-CG2 4.24Å
157Q50.7Low73.3Confident151 Ų151122.3 Ų122.371%0.70664%0.644SS**  -119.2127.567.1-63.9178.80.700114.3G159Q157-G159 PolarHBondContact O-N 3.45Å
158V56.6Low71.7Confident140 Ų140126.9 Ų126.985%0.84867%0.668SS**THydrogen-bonded Turntrans-85.626.1167.6-178.40000110.4R156R156-V158 HydrophobicContact CG-CG2 4.24Å
159G56.1Low70Confident66 Ų66131.6 Ų131.668%0.6868%0.678SS**THydrogen-bonded Turntrans-112.8-2.6-176.100000115.1Q157Q157-G159 PolarHBondContact O-N 3.45Å
160E51.8Low68Low161 Ų161134.2 Ų134.275%0.75269%0.69SS**  trans-12062.5-179-66.1-171.515200110.8
161R50.3Low65.7Low318 Ų318142.6 Ų142.6100%1.272%0.722SS**  trans-130.20163.7-74.5-171.1179.4-177.40.2109.8

Retrieved 161 of 161 residues in 79.3 ms (Link to these results)

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