A0A087YSJ0_POEFO Loading...

Heat shock protein family A (Hsp70) member 2

AlphaFold DB , UniProt , Accession A0A087YSJ0, Species POEFO (Poecilia formosa, Amazon molly), Gene HSPA2, Length 639 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M34.6Very low70.4Confident243 Ų24383.1 Ų83.1100%1.19749%0.489SS*.  0109.40-69.4173.5-172.600106.7A3M1-A3 PolarHBondContact O-N 2.85Å
2C33.3Very low72.7Confident133 Ų13377.9 Ų77.990%0.89946%0.457SS*.PPolyproline II helixtrans-62.7129.4168.5-79.50000107.1A4C2-A4 PolarHBondContact O-N 2.91Å
3A40.7Very low74.7Confident92 Ų9272.5 Ų72.576%0.7643%0.425SS*.PPolyproline II helixtrans-51.5128.517000000107.7M1 K5M1-A3 PolarHBondContact O-N 2.85Å; A3-K5 PolarHBondContact O-N 2.67Å
4A50.7Low76.3Confident94 Ų9468.1 Ų68.178%0.77740%0.403SS*.PPolyproline II helixtrans-53.4116.7173.600000107C2 N6C2-A4 PolarHBondContact O-N 2.91Å; A4-N6 PolarHBondContact O-N 2.89Å; A4-N6 VanDerWaalsContact O-N 3.15Å
5K60.1Low77.6Confident185 Ų18564.1 Ų64.180%0.80438%0.379SS*.PPolyproline II helixtrans-54.6125.1174.8-84.7-176.9172.5-175.40106.5A3 V7A3-K5 PolarHBondContact O-N 2.67Å; K5-V7 HydrophobicContact CB-CG2 4.16Å; K5-V7 PolarHBondContact O-N 2.93Å
6N77Confident78.7Confident122 Ų12260.9 Ų60.965%0.65236%0.361SS*.  trans-67.681172.2-92.8-21.3000108A4 T383A4-N6 PolarHBondContact O-N 2.89Å; A4-N6 VanDerWaalsContact O-N 3.15Å; N6-T383 WeakPolarHBondContact O-CB 3.44Å; N6-T383 WeakPolarHBondContact O-CG2 3.34Å
7V87.4Confident79.9Confident39 Ų3961.5 Ų61.524%0.23636%0.356CS..  trans-75.4128.8176.6-179.90000108.3K5 L137K5-V7 HydrophobicContact CB-CG2 4.16Å; K5-V7 PolarHBondContact O-N 2.93Å; V7-L137 HydrophobicContact CG1-CD1 4.05Å
8A94.8Very high80.9Confident6 Ų658.1 Ų58.15%0.0534%0.336CS..EExtended strand (participates in β ladder)trans-115.5146.2169.300000109.8N143 L172 A379 T383A8-N143 VanDerWaalsContact CA-O 3.31Å; A8-N143 WeakPolarHBondContact CA-O 3.41Å; A8-N143 HydrophobicContact CB-CB 3.75Å; A8-L172 HydrophobicContact CB-CD1 3.74Å; A8-A379 HydrophobicContact CB-CB 3.82Å; A8-T383 HydrophobicContact CB-CG2 3.42Å; A8-T383 VanDerWaalsContact CB-CG2 3.42Å
9I98Very high81.9Confident0 Ų055.2 Ų55.20%032%0.319CS..EExtended strand (participates in β ladder)trans-110.9150179.962174.2000110.6I11 V20 V22 A133 L137 V141 N143 A144 V145I9-I11 HydrophobicContact CD1-CD1 3.79Å; I9-I11 HydrophobicContact CD1-CG1 3.97Å; I9-I11 HydrophobicContact CG1-CD1 4.19Å; I9-I11 HydrophobicContact CG1-CG1 4.1Å; I9-V20 HydrophobicContact CB-CG2 4.29Å; I9-V20 HydrophobicContact CD1-CG2 4.02Å; I9-V22 HydrophobicContact CG2-CG1 3.82Å; I9-A133 HydrophobicContact CD1-CB 3.92Å; I9-A133 HydrophobicContact CG2-CB 3.99Å; I9-L137 HydrophobicContact CG2-CD1 4.27Å; I9-V141 HydrophobicContact CB-CG1 4.46Å; I9-V141 HydrophobicContact CD1-CG1 3.89Å; I9-V141 HydrophobicContact CG1-CG1 3.89Å; I9-V141 HydrophobicContact CG2-CG1 3.81Å; I9-V141 HydrophobicContact CG2-CG2 4.25Å; I9-N143 PolarHBondContact N-O 2.79Å; I9-N143 VanDerWaalsContact N-O 3.14Å; I9-A144 HydrophobicContact CG1-CB 3.98Å; I9-A144 CarbonylContact O-C 3.37Å; I9-A144 VanDerWaalsContact O-CA 3.24Å; I9-A144 WeakPolarHBondContact O-CA 3.38Å; I9-V145 PolarHBondContact O-N 2.53Å
10G98.5Very high82.7Confident0 Ų052.5 Ų52.50%030%0.304CS..EExtended strand (participates in β ladder)trans-96.4123.3170.800000109.9V20 G21G10-V20 WeakPolarHBondContact O-CA 3.42Å; G10-G21 PolarHBondContact N-O 2.7Å; G10-G21 PolarHBondContact O-N 3.19Å
11I98.8Very high83.4Confident0 Ų050 Ų500%029%0.29CS..EExtended strand (participates in β ladder)trans-117.5120178.7-55.4172.8000109I9 V20 L126 M129 A144 V145 V146 T147 L169I9-I11 HydrophobicContact CD1-CD1 3.79Å; I9-I11 HydrophobicContact CD1-CG1 3.97Å; I9-I11 HydrophobicContact CG1-CD1 4.19Å; I9-I11 HydrophobicContact CG1-CG1 4.1Å; I11-V20 HydrophobicContact CG1-CG2 4.06Å; I11-L126 HydrophobicContact CB-CD2 4.46Å; I11-L126 HydrophobicContact CD1-CD2 4.08Å; I11-L126 HydrophobicContact CG2-CD2 3.78Å; I11-M129 HydrophobicContact CD1-CB 4.1Å; I11-M129 HydrophobicContact CG1-CB 4.33Å; I11-M129 HydrophobicContact CG2-CB 4.02Å; I11-M129 HydrophobicContact CG2-CG 3.86Å; I11-A144 HydrophobicContact CD1-CB 4.17Å; I11-V145 PolarHBondContact N-O 3.15Å; I11-V146 WeakPolarHBondContact O-CA 3.49Å; I11-T147 WeakPolarHBondContact O-CG2 3.44Å; I11-T147 PolarHBondContact O-N 2.93Å; I11-L169 HydrophobicContact CD1-CD1 3.83Å
12D98.6Very high86.4Confident21 Ų2138.5 Ų38.511%0.11223%0.233CC..EExtended strand (participates in β ladder)trans-82.9108.1159.7-17820.9000109.7G14 S18 C19 T147 V371 A372D12-G14 PolarHBondContact O-N 2.91Å; D12-S18 CarbonylContact O-C 3.54Å; D12-S18 WeakPolarHBondContact O-CA 3.43Å; D12-S18 WeakPolarHBondContact O-CB 3.3Å; D12-C19 HydrophobicContact CB-CB 4.22Å; D12-C19 PolarHBondContact N-O 3.27Å; D12-C19 PolarHBondContact O-N 3.44Å; D12-T147 VanDerWaalsContact CA-OG1 3.28Å; D12-T147 WeakPolarHBondContact CA-OG1 3.28Å; D12-T147 PolarHBondContact OD1-OG1 3.35Å; D12-V371 HydrophobicContact CB-CB 4.22Å; D12-V371 HydrophobicContact CB-CG1 3.85Å; D12-V371 VanDerWaalsContact CG-CG1 3.46Å; D12-V371 WeakPolarHBondContact OD1-CG1 3.46Å; D12-A372 HydrophobicContact CB-CB 3.81Å
13L98.4Very high89.2Confident7 Ų733.1 Ų33.14%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-94.779.9175.9178.163.3000108.8K73 V125 L126 V146 T147 T160L13-K73 WeakPolarHBondContact O-CD 3.19Å; L13-K73 WeakPolarHBondContact O-CE 3.34Å; L13-K73 PolarHBondContact O-NZ 3.26Å; L13-V125 HydrophobicContact CD1-CB 4.19Å; L13-V125 HydrophobicContact CD1-CG1 3.91Å; L13-L126 HydrophobicContact CB-CD2 4.25Å; L13-L126 HydrophobicContact CD1-CD2 4.15Å; L13-L126 HydrophobicContact CD1-CG 4.34Å; L13-L126 HydrophobicContact CD2-CD1 4.3Å; L13-L126 HydrophobicContact CD2-CD2 4.14Å; L13-L126 HydrophobicContact CD2-CG 4.23Å; L13-L126 HydrophobicContact CG-CD2 4.4Å; L13-V146 HydrophobicContact CB-CG1 4.13Å; L13-T147 PolarHBondContact N-OG1 3.36Å; L13-T160 HydrophobicContact CD2-CG2 4.06Å
14G96.8Very high91.4Very high12 Ų1231.4 Ų31.412%0.12417%0.171CC..  trans-81.9165.5-177.400000114.1D12 Y17 S42D12-G14 PolarHBondContact O-N 2.91Å; G14-Y17 CarbonylContact C-O 3.55Å; G14-Y17 WeakPolarHBondContact CA-O 3.49Å; G14-Y17 PolarHBondContact N-O 3.36Å; G14-S42 WeakPolarHBondContact O-CB 3.47Å; G14-S42 PolarHBondContact O-OG 3.21Å
15T95.9Very high93.1Very high7 Ų734.7 Ų34.74%0.04317%0.169CC..SBendtrans-63.1-45179.3-51.10000112.2S42 D71 K73 R74T15-S42 WeakPolarHBondContact O-CB 3.25Å; T15-D71 HydrophobicContact CG2-CB 4.22Å; T15-K73 HydrophobicContact CG2-CB 4.46Å; T15-R74 HydrophobicContact CG2-CG 4.23Å
16T96.3Very high94.2Very high13 Ų1326.8 Ų26.88%0.0814%0.14CC..SBendtrans-105-35-174.7-45.50000112.3P41 S42 G204T16-P41 CarbonylContact O-C 3.56Å; T16-P41 WeakPolarHBondContact O-CA 3.48Å; T16-S42 PolarHBondContact O-N 2.91Å; T16-G204 WeakPolarHBondContact OG1-CA 3.41Å
17Y97.9Very high94.8Very high71 Ų7126 Ų2628%0.27813%0.131SC..EExtended strand (participates in β ladder)trans-138.2143.5-178.8-73.3-86.2000109.4G14 T40 P41 S42 K58G14-Y17 CarbonylContact C-O 3.55Å; G14-Y17 WeakPolarHBondContact CA-O 3.49Å; G14-Y17 PolarHBondContact N-O 3.36Å; Y17-T40 CarbonylContact C-O 3.6Å; Y17-T40 WeakPolarHBondContact CA-O 3.49Å; Y17-P41 HydrophobicContact CD1-CB 4.45Å; Y17-P41 HydrophobicContact CD1-CG 4.2Å; Y17-P41 HydrophobicContact CE1-CB 4.29Å; Y17-P41 HydrophobicContact CE1-CG 3.73Å; Y17-S42 PolarHBondContact N-OG 2.72Å; Y17-K58 PolarHBondContact OH-NZ 2.89Å
18S98.7Very high95.1Very high1 Ų124.9 Ų24.91%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-112.3153.1169.7-61.90000110.3D12 T39 T40 S42 V125D12-S18 CarbonylContact O-C 3.54Å; D12-S18 WeakPolarHBondContact O-CA 3.43Å; D12-S18 WeakPolarHBondContact O-CB 3.3Å; S18-T39 CarbonylContact O-C 3.59Å; S18-T39 WeakPolarHBondContact O-CA 3.35Å; S18-T40 PolarHBondContact N-O 2.92Å; S18-T40 PolarHBondContact O-N 3.35Å; S18-S42 PolarHBondContact OG-OG 2.84Å; S18-S42 VanDerWaalsContact OG-OG 3.12Å; S18-V125 WeakPolarHBondContact OG-CG1 3.12Å
19C98.6Very high95.2Very high2 Ų226.2 Ų26.21%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-137.9146.7179.8-1750000109.5D12 I30 R38 T39 A372D12-C19 HydrophobicContact CB-CB 4.22Å; D12-C19 PolarHBondContact N-O 3.27Å; D12-C19 PolarHBondContact O-N 3.44Å; C19-I30 WeakPolarHBondContact SG-CG2 3.4Å; C19-R38 PolarHBondContact SG-O 2.97Å; C19-T39 HydrophobicContact CB-CG2 4.41Å; C19-A372 HydrophobicContact CB-CB 3.73Å; C19-A372 VanDerWaalsContact SG-CB 3.58Å
20V98.7Very high95.2Very high2 Ų227.4 Ų27.41%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-128.3131.217962.10000110.5I9 G10 I11 V31 M129 I132 A133I9-V20 HydrophobicContact CB-CG2 4.29Å; I9-V20 HydrophobicContact CD1-CG2 4.02Å; G10-V20 WeakPolarHBondContact O-CA 3.42Å; I11-V20 HydrophobicContact CG1-CG2 4.06Å; V20-V31 HydrophobicContact CG1-CB 4.2Å; V20-V31 PolarHBondContact O-N 2.8Å; V20-M129 HydrophobicContact CB-CB 4.26Å; V20-M129 HydrophobicContact CB-SD 4.35Å; V20-M129 HydrophobicContact CG1-SD 4.33Å; V20-I132 HydrophobicContact CG1-CB 4.26Å; V20-I132 HydrophobicContact CG1-CG2 3.82Å; V20-A133 HydrophobicContact CG2-CB 4.09Å
21G98.1Very high95.1Very high0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans-119.7147.517700000111.6G10 E29G10-G21 PolarHBondContact N-O 2.7Å; G10-G21 PolarHBondContact O-N 3.19Å; G21-E29 WeakPolarHBondContact CA-O 3.36Å
22V96.4Very high95.1Very high1 Ų129.9 Ų29.91%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-124.4145.8173.3-55.20000109.4I9 Q24 V28 E29 V31 A133 Y136 L137I9-V22 HydrophobicContact CG2-CG1 3.82Å; V22-Q24 HydrophobicContact CG2-CG 4.33Å; V22-V28 CarbonylContact O-C 3.58Å; V22-V28 WeakPolarHBondContact O-CA 3.2Å; V22-E29 HydrophobicContact CG2-CB 4.05Å; V22-E29 PolarHBondContact N-O 3.31Å; V22-E29 PolarHBondContact O-N 3.37Å; V22-V31 HydrophobicContact CG1-CG2 3.9Å; V22-V31 HydrophobicContact CG2-CG2 3.97Å; V22-A133 HydrophobicContact CG1-CB 4.37Å; V22-Y136 HydrophobicContact CG2-CD1 4.04Å; V22-Y136 HydrophobicContact CG2-CE1 3.86Å; V22-L137 HydrophobicContact CB-CD2 4.39Å; V22-L137 HydrophobicContact CG1-CD1 4.19Å; V22-L137 HydrophobicContact CG1-CD2 4.29Å; V22-L137 HydrophobicContact CG1-CG 4.44Å; V22-L137 HydrophobicContact CG2-CD2 4.36Å
23F93.1Very high95Very high21 Ų2129.4 Ų29.49%0.09215%0.153CC..EExtended strand (participates in β ladder)trans-99117.6172.2-167.4-90.8000109.2K27 V28 A380 V390F23-K27 WeakPolarHBondContact CA-O 3.46Å; F23-V28 HydrophobicContact CD2-CG2 3.79Å; F23-V28 HydrophobicContact CE2-CG2 4.39Å; F23-A380 HydrophobicContact CB-CB 3.6Å; F23-A380 HydrophobicContact CD1-CB 3.68Å; F23-A380 HydrophobicContact CD2-CB 4.08Å; F23-A380 HydrophobicContact CE1-CB 4.35Å; F23-A380 HydrophobicContact CG-CB 3.52Å; F23-V390 HydrophobicContact CE2-CG1 3.73Å; F23-V390 HydrophobicContact CZ-CG1 3.78Å; F23-V390 HydrophobicContact CZ-CG2 4.25Å
24Q87.1Confident94.6Very high55 Ų5534.2 Ų34.226%0.25718%0.179SC..EExtended strand (participates in β ladder)trans-140.3143.3176.9-70.6-156.72.200111V22 G26 K27V22-Q24 HydrophobicContact CG2-CG 4.33Å; Q24-G26 PolarHBondContact O-N 2.87Å; Q24-G26 VanDerWaalsContact O-N 3.16Å; Q24-K27 PolarHBondContact N-O 3.11Å; Q24-K27 VanDerWaalsContact O-CG 3.22Å; Q24-K27 WeakPolarHBondContact O-CG 3.34Å; Q24-K27 PolarHBondContact O-N 2.68Å; Q24-K27 VanDerWaalsContact O-N 3.08Å
25H85.1Confident94.4Very high163 Ų16339.8 Ų39.876%0.75520%0.202SC*.THydrogen-bonded Turntrans53.937.1173.5-47.9112.9000113.3K27H25-K27 VanDerWaalsContact C-N 3.31Å; H25-K27 PolarHBondContact O-N 3.2Å
26G84.4Confident94.3Very high19 Ų1942.1 Ų42.120%0.19623%0.227CC..THydrogen-bonded Turntrans77.78.3177.800000115.6Q24Q24-G26 PolarHBondContact O-N 2.87Å; Q24-G26 VanDerWaalsContact O-N 3.16Å
27K89.9Confident94.4Very high106 Ų10644.8 Ų44.846%0.46124%0.241SC..EExtended strand (participates in β ladder)trans-136.3159.8179.159172-178.2155.50111.4F23 Q24 H25 E29F23-K27 WeakPolarHBondContact CA-O 3.46Å; Q24-K27 PolarHBondContact N-O 3.11Å; Q24-K27 VanDerWaalsContact O-CG 3.22Å; Q24-K27 WeakPolarHBondContact O-CG 3.34Å; Q24-K27 PolarHBondContact O-N 2.68Å; Q24-K27 VanDerWaalsContact O-N 3.08Å; H25-K27 VanDerWaalsContact C-N 3.31Å; H25-K27 PolarHBondContact O-N 3.2Å; K27-E29 WeakPolarHBondContact CE-OE1 3.44Å; K27-E29 IonicContact NZ-OE1 3.48Å; K27-E29 PolarHBondContact NZ-OE1 3.06Å
28V93.6Very high94.3Very high15 Ų1547.8 Ų47.89%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-86.9138.5169.3177.30000109.9V22 F23 I30 Y373 A376 V377V22-V28 CarbonylContact O-C 3.58Å; V22-V28 WeakPolarHBondContact O-CA 3.2Å; F23-V28 HydrophobicContact CD2-CG2 3.79Å; F23-V28 HydrophobicContact CE2-CG2 4.39Å; V28-I30 HydrophobicContact CG1-CD1 4.22Å; V28-Y373 HydrophobicContact CB-CD1 4.36Å; V28-Y373 HydrophobicContact CB-CD2 3.64Å; V28-Y373 HydrophobicContact CB-CE1 4.17Å; V28-Y373 HydrophobicContact CB-CE2 3.43Å; V28-Y373 VanDerWaalsContact CB-CE2 3.43Å; V28-Y373 HydrophobicContact CB-CG 4.1Å; V28-Y373 HydrophobicContact CG1-CD2 3.57Å; V28-Y373 HydrophobicContact CG1-CE2 3.93Å; V28-Y373 HydrophobicContact CG1-CG 3.9Å; V28-Y373 HydrophobicContact CG2-CD1 3.98Å; V28-Y373 HydrophobicContact CG2-CD2 4.18Å; V28-Y373 HydrophobicContact CG2-CE1 3.73Å; V28-Y373 HydrophobicContact CG2-CE2 3.96Å; V28-Y373 HydrophobicContact CG2-CG 4.18Å; V28-A376 HydrophobicContact CG1-CB 3.88Å; V28-A376 HydrophobicContact CG2-CB 4.32Å; V28-V377 HydrophobicContact CG2-CG2 3.52Å
29E95.7Very high94.3Very high35 Ų3549.6 Ų49.616%0.16426%0.262CS..EExtended strand (participates in β ladder)trans-119.9120170.7-64.3-177154.300109.1G21 V22 K27 Y136G21-E29 WeakPolarHBondContact CA-O 3.36Å; V22-E29 HydrophobicContact CG2-CB 4.05Å; V22-E29 PolarHBondContact N-O 3.31Å; V22-E29 PolarHBondContact O-N 3.37Å; K27-E29 WeakPolarHBondContact CE-OE1 3.44Å; K27-E29 IonicContact NZ-OE1 3.48Å; K27-E29 PolarHBondContact NZ-OE1 3.06Å; E29-Y136 VanDerWaalsContact CD-OH 3.28Å; E29-Y136 WeakPolarHBondContact OE2-CE1 3.37Å; E29-Y136 PolarHBondContact OE2-OH 3.14Å
30I97.9Very high94.3Very high24 Ų2449.7 Ų49.712%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-81.7120.8171.3-58.5-60.7000108.2C19 V28 R38 E369 A372C19-I30 WeakPolarHBondContact SG-CG2 3.4Å; V28-I30 HydrophobicContact CG1-CD1 4.22Å; I30-R38 HydrophobicContact CG2-CB 3.94Å; I30-R38 HydrophobicContact CG2-CG 4.23Å; I30-E369 HydrophobicContact CD1-CB 4.48Å; I30-E369 HydrophobicContact CG1-CB 4.17Å; I30-E369 HydrophobicContact CG1-CG 4.46Å; I30-E369 HydrophobicContact CG2-CG 4.23Å; I30-A372 HydrophobicContact CD1-CB 4.15Å
31V98Very high94.3Very high6 Ų649.6 Ų49.64%0.03626%0.262CS..PPolyproline II helixtrans-89.1128.7-169.5-173.20000110V20 V22 I132 Y136V20-V31 HydrophobicContact CG1-CB 4.2Å; V20-V31 PolarHBondContact O-N 2.8Å; V22-V31 HydrophobicContact CG1-CG2 3.9Å; V22-V31 HydrophobicContact CG2-CG2 3.97Å; V31-I132 HydrophobicContact CB-CG2 4.12Å; V31-I132 HydrophobicContact CG1-CG2 3.58Å; V31-Y136 VanDerWaalsContact CG1-CB 3.48Å; V31-Y136 HydrophobicContact CG1-CD1 4.39Å; V31-Y136 HydrophobicContact CG1-CD2 3.94Å; V31-Y136 HydrophobicContact CG1-CG 3.68Å; V31-Y136 HydrophobicContact CG2-CD1 3.91Å; V31-Y136 HydrophobicContact CG2-CE1 4.41Å; V31-Y136 HydrophobicContact CG2-CG 4.06Å
32A97.6Very high94.3Very high46 Ų4650.1 Ų50.138%0.3827%0.266SS..PPolyproline II helixtrans-77143.9172.600000111N37 R38A32-N37 CarbonylContact C-O 3.47Å; A32-N37 WeakPolarHBondContact CA-O 3.43Å; A32-R38 HydrophobicContact CB-CG 4.41Å
33N96.5Very high94.4Very high11 Ų1150.1 Ų50.16%0.05927%0.266CS..  trans-74-178.4173.874.57.4000112.1Q35 G36 N37 T40 D55 I132N33-Q35 PolarHBondContact O-N 2.72Å; N33-Q35 VanDerWaalsContact O-N 3.11Å; N33-Q35 WeakPolarHBondContact OD1-CA 3.48Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.38Å; N33-Q35 PolarHBondContact OD1-N 2.78Å; N33-G36 PolarHBondContact O-N 2.91Å; N33-G36 PolarHBondContact OD1-N 2.9Å; N33-N37 PolarHBondContact N-O 3.38Å; N33-N37 PolarHBondContact OD1-N 2.86Å; N33-N37 PolarHBondContact OD1-O 2.87Å; N33-T40 PolarHBondContact ND2-OG1 2.9Å; N33-D55 PolarHBondContact ND2-OD2 3.44Å; N33-I132 HydrophobicContact CB-CD1 3.52Å; N33-I132 HydrophobicContact CB-CG1 3.93Å
34D90.8Very high94.6Very high108 Ų10849.1 Ų49.158%0.57826%0.262SS*.THydrogen-bonded Turntrans-61.9-13.4178.451.20.7000114.8K128D34-K128 IonicContact OD1-NZ 2.7Å; D34-K128 IonicContact OD2-NZ 3.48Å; D34-K128 PolarHBondContact OD2-NZ 3.45Å
35Q91.7Very high95.2Very high130 Ų13046.5 Ų46.561%0.60725%0.249SC*.THydrogen-bonded Turntrans-99.63.6172.7-58.5-61.7-56.400113N33 N37 D55N33-Q35 PolarHBondContact O-N 2.72Å; N33-Q35 VanDerWaalsContact O-N 3.11Å; N33-Q35 WeakPolarHBondContact OD1-CA 3.48Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.38Å; N33-Q35 PolarHBondContact OD1-N 2.78Å; Q35-N37 VanDerWaalsContact C-N 3.32Å; Q35-D55 HydrophobicContact CG-CB 4.32Å
36G94.5Very high95.7Very high55 Ų5538.7 Ų38.757%0.56721%0.213SC*.SBendtrans79.58.8-176.900000114.5N33N33-G36 PolarHBondContact O-N 2.91Å; N33-G36 PolarHBondContact OD1-N 2.9Å
37N97.2Very high96.2Very high70 Ų7039.2 Ų39.237%0.37421%0.213SC..  trans-90.3133.1179.1-61.1-45.4000111A32 N33 Q35 T39 D55A32-N37 CarbonylContact C-O 3.47Å; A32-N37 WeakPolarHBondContact CA-O 3.43Å; N33-N37 PolarHBondContact N-O 3.38Å; N33-N37 PolarHBondContact OD1-N 2.86Å; N33-N37 PolarHBondContact OD1-O 2.87Å; Q35-N37 VanDerWaalsContact C-N 3.32Å; N37-T39 VanDerWaalsContact C-N 3.27Å; N37-T39 WeakPolarHBondContact CB-O 3.3Å; N37-T39 PolarHBondContact O-N 3.48Å; N37-D55 PolarHBondContact ND2-OD2 2.94Å
38R97.4Very high96.1Very high134 Ų13439.8 Ų39.851%0.50622%0.221SC..SBendtrans-76.7-11.7176.7-70.6-177.6178.6-179.4-2114.8C19 I30 A32 E369C19-R38 PolarHBondContact SG-O 2.97Å; I30-R38 HydrophobicContact CG2-CB 3.94Å; I30-R38 HydrophobicContact CG2-CG 4.23Å; A32-R38 HydrophobicContact CB-CG 4.41Å; R38-E369 WeakPolarHBondContact CD-OE1 3.49Å; R38-E369 IonicContact CZ-OE1 2.7Å; R38-E369 IonicContact NE-OE1 2.68Å; R38-E369 IonicContact NH1-OE1 2.69Å; R38-E369 PolarHBondContact NH1-OE1 3.45Å; R38-E369 VanDerWaalsContact NH1-OE1 3.14Å; R38-E369 IonicContact NH1-OE2 3.56Å
39T97.9Very high95.7Very high38 Ų3842 Ų4223%0.23324%0.235CC..SBendtrans-125.8139.6173.860.10000108.2S18 C19 N37 D368S18-T39 CarbonylContact O-C 3.59Å; S18-T39 WeakPolarHBondContact O-CA 3.35Å; C19-T39 HydrophobicContact CB-CG2 4.41Å; N37-T39 VanDerWaalsContact C-N 3.27Å; N37-T39 WeakPolarHBondContact CB-O 3.3Å; N37-T39 PolarHBondContact O-N 3.48Å; T39-D368 HydrophobicContact CG2-CB 4.4Å
40T98.6Very high95.4Very high4 Ų442.8 Ų42.83%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-115.6131.7179.4-63.50000109.4Y17 S18 N33 S42 K128 M129Y17-T40 CarbonylContact C-O 3.6Å; Y17-T40 WeakPolarHBondContact CA-O 3.49Å; S18-T40 PolarHBondContact N-O 2.92Å; S18-T40 PolarHBondContact O-N 3.35Å; N33-T40 PolarHBondContact ND2-OG1 2.9Å; T40-S42 PolarHBondContact O-N 2.87Å; T40-K128 HydrophobicContact CG2-CG 4.35Å; T40-M129 HydrophobicContact CG2-CE 3.64Å
41P98.3Very high95.2Very high0 Ų042.7 Ų42.70%024%0.236CC..EExtended strand (participates in β ladder)trans-54.9138177.1-25.432.7000112.9T16 Y17 Y43 G54 D55 K58T16-P41 CarbonylContact O-C 3.56Å; T16-P41 WeakPolarHBondContact O-CA 3.48Å; Y17-P41 HydrophobicContact CD1-CB 4.45Å; Y17-P41 HydrophobicContact CD1-CG 4.2Å; Y17-P41 HydrophobicContact CE1-CB 4.29Å; Y17-P41 HydrophobicContact CE1-CG 3.73Å; P41-Y43 HydrophobicContact CB-CD2 3.73Å; P41-Y43 HydrophobicContact CB-CE2 4.48Å; P41-Y43 HydrophobicContact CB-CG 4.28Å; P41-Y43 PolarHBondContact O-N 2.84Å; P41-G54 WeakPolarHBondContact O-CA 3.36Å; P41-D55 WeakPolarHBondContact CD-OD1 3.5Å; P41-D55 VanDerWaalsContact CG-OD1 3.31Å; P41-D55 WeakPolarHBondContact CG-OD1 3.37Å; P41-K58 HydrophobicContact CB-CB 4.07Å; P41-K58 HydrophobicContact CB-CD 3.89Å; P41-K58 HydrophobicContact CG-CB 4.1Å; P41-K58 HydrophobicContact CG-CD 3.72Å
42S98.5Very high95.1Very high12 Ų1244 Ų448%0.08424%0.243CC..  trans-79.357.3174.5-56.30000111G14 T15 T16 Y17 S18 T40G14-S42 WeakPolarHBondContact O-CB 3.47Å; G14-S42 PolarHBondContact O-OG 3.21Å; T15-S42 WeakPolarHBondContact O-CB 3.25Å; T16-S42 PolarHBondContact O-N 2.91Å; Y17-S42 PolarHBondContact N-OG 2.72Å; S18-S42 PolarHBondContact OG-OG 2.84Å; S18-S42 VanDerWaalsContact OG-OG 3.12Å; T40-S42 PolarHBondContact O-N 2.87Å
43Y98.5Very high95.1Very high0 Ų042.9 Ų42.90%023%0.23CC..  trans-120.4138.3-174.5-80.8-119.8000110P41 I53 G54 K58 V61 T68 V69 F70 R263P41-Y43 HydrophobicContact CB-CD2 3.73Å; P41-Y43 HydrophobicContact CB-CE2 4.48Å; P41-Y43 HydrophobicContact CB-CG 4.28Å; P41-Y43 PolarHBondContact O-N 2.84Å; Y43-I53 WeakPolarHBondContact O-CA 3.05Å; Y43-G54 PolarHBondContact O-N 2.76Å; Y43-K58 HydrophobicContact CD1-CB 4.05Å; Y43-K58 HydrophobicContact CD1-CG 4.36Å; Y43-K58 HydrophobicContact CE1-CB 4.47Å; Y43-K58 HydrophobicContact CE1-CG 4.28Å; Y43-K58 HydrophobicContact CE2-CD 4.49Å; Y43-K58 HydrophobicContact CG-CB 4.09Å; Y43-V61 HydrophobicContact CE1-CG2 4.28Å; Y43-T68 HydrophobicContact CD1-CG2 3.96Å; Y43-V69 WeakPolarHBondContact CA-O 3.49Å; Y43-F70 HydrophobicContact CD1-CB 3.83Å; Y43-F70 HydrophobicContact CD1-CD1 4.24Å; Y43-F70 HydrophobicContact CD1-CG 4.34Å; Y43-F70 HydrophobicContact CD2-CB 3.86Å; Y43-F70 HydrophobicContact CE1-CB 3.62Å; Y43-F70 AromaticContact CE1-CD1 3.71Å; Y43-F70 HydrophobicContact CE1-CD1 3.71Å; Y43-F70 AromaticContact CE1-CG 3.74Å; Y43-F70 HydrophobicContact CE1-CG 3.74Å; Y43-F70 HydrophobicContact CE2-CB 3.62Å; Y43-F70 HydrophobicContact CE2-CG 4.35Å; Y43-F70 HydrophobicContact CG-CB 3.94Å; Y43-F70 VanDerWaalsContact CZ-CB 3.48Å; Y43-F70 AromaticContact CZ-CG 3.72Å; Y43-R263 PolarHBondContact OH-NH1 2.91Å
44V98.4Very high95.1Very high0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-131.3124.7173.2-177.40000108.4F46 L52 I53 T68 V69 I121 M124 V125V44-F46 HydrophobicContact CG1-CD2 4.45Å; V44-F46 HydrophobicContact CG1-CE1 4.5Å; V44-F46 HydrophobicContact CG1-CE2 3.72Å; V44-F46 HydrophobicContact CG1-CZ 3.76Å; V44-L52 CarbonylContact C-O 3.5Å; V44-L52 WeakPolarHBondContact CA-O 3.38Å; V44-I53 HydrophobicContact CG1-CG1 4.46Å; V44-I53 HydrophobicContact CG2-CG2 4.43Å; V44-T68 CarbonylContact O-C 3.5Å; V44-V69 PolarHBondContact N-O 3.47Å; V44-V69 PolarHBondContact O-N 2.98Å; V44-I121 HydrophobicContact CB-CG2 4.3Å; V44-I121 HydrophobicContact CG2-CG2 3.97Å; V44-M124 HydrophobicContact CG1-CB 4.48Å; V44-M124 HydrophobicContact CG1-SD 3.66Å; V44-M124 HydrophobicContact CG2-CB 4.01Å; V44-V125 HydrophobicContact CG2-CG2 3.94Å
45A98Very high95.4Very high0 Ų038.5 Ų38.50%021%0.207CC..EExtended strand (participates in β ladder)trans-118.7143175.400000111.4R51 L52 A57 N67 T68A45-R51 CarbonylContact O-C 3.52Å; A45-R51 WeakPolarHBondContact O-CA 3.49Å; A45-L52 HydrophobicContact CB-CB 4.27Å; A45-L52 PolarHBondContact N-O 3.21Å; A45-L52 PolarHBondContact O-N 3.25Å; A45-A57 HydrophobicContact CB-CB 3.83Å; A45-N67 WeakPolarHBondContact CA-O 3.39Å; A45-T68 HydrophobicContact CB-CG2 4.02Å
46F97Very high95.5Very high0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-111.6127.6177.9-58.8-94.7000108.6V44 R51 N64 N67 V69 V107 Y109 F116 I121 M124V44-F46 HydrophobicContact CG1-CD2 4.45Å; V44-F46 HydrophobicContact CG1-CE1 4.5Å; V44-F46 HydrophobicContact CG1-CE2 3.72Å; V44-F46 HydrophobicContact CG1-CZ 3.76Å; F46-R51 HydrophobicContact CD1-CG 3.9Å; F46-R51 HydrophobicContact CE1-CG 4.08Å; F46-N64 PolarHBondContact O-ND2 3.43Å; F46-N67 HydrophobicContact CB-CB 4.44Å; F46-N67 PolarHBondContact N-O 2.86Å; F46-N67 WeakPolarHBondContact O-CB 3.24Å; F46-V69 HydrophobicContact CE2-CG2 4.1Å; F46-V107 HydrophobicContact CB-CG2 4.29Å; F46-V107 HydrophobicContact CD1-CG2 4.23Å; F46-V107 HydrophobicContact CD2-CB 3.98Å; F46-V107 HydrophobicContact CD2-CG1 3.89Å; F46-V107 HydrophobicContact CD2-CG2 3.65Å; F46-V107 HydrophobicContact CE2-CG1 4.19Å; F46-V107 HydrophobicContact CE2-CG2 3.96Å; F46-V107 HydrophobicContact CG-CB 4.34Å; F46-V107 HydrophobicContact CG-CG2 3.79Å; F46-V107 HydrophobicContact CZ-CG2 4.37Å; F46-Y109 HydrophobicContact CB-CD2 3.91Å; F46-Y109 HydrophobicContact CB-CG 4.25Å; F46-Y109 HydrophobicContact CD1-CD1 4.37Å; F46-Y109 AromaticContact CD1-CD2 3.94Å; F46-Y109 HydrophobicContact CD1-CD2 3.94Å; F46-Y109 AromaticContact CD1-CG 3.86Å; F46-Y109 HydrophobicContact CD1-CG 3.86Å; F46-Y109 HydrophobicContact CG-CD2 4.44Å; F46-F116 HydrophobicContact CD1-CE2 4.2Å; F46-F116 HydrophobicContact CE1-CD2 4.27Å; F46-F116 AromaticContact CE1-CE2 3.53Å; F46-F116 HydrophobicContact CE1-CE2 3.53Å; F46-F116 AromaticContact CE1-CZ 3.78Å; F46-F116 HydrophobicContact CE1-CZ 3.78Å; F46-F116 HydrophobicContact CE2-CD2 4.48Å; F46-F116 HydrophobicContact CE2-CE2 4.4Å; F46-F116 AromaticContact CZ-CD2 3.91Å; F46-F116 HydrophobicContact CZ-CD2 3.91Å; F46-F116 AromaticContact CZ-CE2 3.65Å; F46-F116 HydrophobicContact CZ-CE2 3.65Å; F46-F116 HydrophobicContact CZ-CZ 4.2Å; F46-I121 HydrophobicContact CE2-CD1 3.97Å; F46-I121 HydrophobicContact CZ-CD1 3.81Å; F46-M124 HydrophobicContact CE1-CE 4.24Å; F46-M124 HydrophobicContact CE1-SD 4.19Å; F46-M124 HydrophobicContact CZ-CE 4.02Å; F46-M124 HydrophobicContact CZ-SD 3.85Å
47T93.3Very high95.7Very high30 Ų3031.9 Ų31.918%0.18417%0.169CC..  trans-116-179.5176.7770000110.2T49 E50 L52 Y109 K110T47-T49 PolarHBondContact O-N 3.45Å; T47-T49 PolarHBondContact OG1-N 3.48Å; T47-T49 PolarHBondContact OG1-OG1 2.71Å; T47-E50 PolarHBondContact N-O 2.95Å; T47-E50 PolarHBondContact OG1-N 3.05Å; T47-E50 PolarHBondContact OG1-O 2.88Å; T47-L52 HydrophobicContact CG2-CD1 4.12Å; T47-L52 HydrophobicContact CG2-CG 4.42Å; T47-Y109 WeakPolarHBondContact O-CD2 3.43Å; T47-K110 PolarHBondContact O-N 2.89Å
48D88.6Confident95.6Very high118 Ų11830.1 Ų30.163%0.63116%0.158SC*.SBendtrans-68.7-14.6175.4-60.6-33.7000112.9K110D48-K110 WeakPolarHBondContact O-CG 3.23Å
49T85.1Confident95.5Very high62 Ų6230 Ų3038%0.3817%0.168SC..SBendtrans-120.2-39.1-172.754.20000113.2T47 K110 L588T47-T49 PolarHBondContact O-N 3.45Å; T47-T49 PolarHBondContact OG1-N 3.48Å; T47-T49 PolarHBondContact OG1-OG1 2.71Å; T49-K110 WeakPolarHBondContact O-CE 3.45Å; T49-L588 HydrophobicContact CG2-CD2 4.33Å
50E89.2Confident95.3Very high50 Ų5029.7 Ų29.723%0.23416%0.164CC..  trans-149.6170.8-167.171.7-171.3135.800113.3T47 L52 Q534T47-E50 PolarHBondContact N-O 2.95Å; T47-E50 PolarHBondContact OG1-N 3.05Å; T47-E50 PolarHBondContact OG1-O 2.88Å; E50-L52 HydrophobicContact CG-CD2 3.86Å; E50-L52 HydrophobicContact CG-CG 4.3Å; E50-Q534 HydrophobicContact CB-CG 4.17Å
51R93.8Very high95.1Very high22 Ų2229.7 Ų29.78%0.08316%0.164CC..EExtended strand (participates in β ladder)trans-104.2131.1168.2-58.5-177.7-55.7162.95.5109A45 F46 Y109 M124 D531A45-R51 CarbonylContact O-C 3.52Å; A45-R51 WeakPolarHBondContact O-CA 3.49Å; F46-R51 HydrophobicContact CD1-CG 3.9Å; F46-R51 HydrophobicContact CE1-CG 4.08Å; R51-Y109 HydrophobicContact CG-CD2 4.46Å; R51-Y109 HydrophobicContact CG-CE1 4.36Å; R51-Y109 HydrophobicContact CG-CE2 3.76Å; R51-M124 PolarHBondContact NH1-SD 3Å; R51-M124 VanDerWaalsContact NH1-SD 3.39Å; R51-D531 IonicContact CZ-OD2 3.97Å; R51-D531 IonicContact NE-OD1 2.79Å; R51-D531 IonicContact NE-OD2 3.55Å; R51-D531 IonicContact NH2-OD1 2.64Å; R51-D531 IonicContact NH2-OD2 3.99Å; R51-D531 PolarHBondContact NH2-OD2 2.86Å
52L95.5Very high94.8Very high33 Ų3331 Ų3117%0.17317%0.174CC..EExtended strand (participates in β ladder)trans-105.1138.4174-55.9175.1000108.4V44 A45 T47 E50 A56 A57 Q60V44-L52 CarbonylContact C-O 3.5Å; V44-L52 WeakPolarHBondContact CA-O 3.38Å; A45-L52 HydrophobicContact CB-CB 4.27Å; A45-L52 PolarHBondContact N-O 3.21Å; A45-L52 PolarHBondContact O-N 3.25Å; T47-L52 HydrophobicContact CG2-CD1 4.12Å; T47-L52 HydrophobicContact CG2-CG 4.42Å; E50-L52 HydrophobicContact CG-CD2 3.86Å; E50-L52 HydrophobicContact CG-CG 4.3Å; L52-A56 HydrophobicContact CB-CB 4.11Å; L52-A56 HydrophobicContact CD2-CB 4.23Å; L52-A57 HydrophobicContact CB-CB 4.15Å; L52-A57 WeakPolarHBondContact O-CB 3.34Å; L52-Q60 HydrophobicContact CD1-CG 3.85Å
53I97.5Very high94.5Very high23 Ų2336.7 Ų36.712%0.11820%0.203CC..EExtended strand (participates in β ladder)trans-132.1139.4179.5-52.8165.8000108.4Y43 V44 M124 K128Y43-I53 WeakPolarHBondContact O-CA 3.05Å; V44-I53 HydrophobicContact CG1-CG1 4.46Å; V44-I53 HydrophobicContact CG2-CG2 4.43Å; I53-M124 HydrophobicContact CD1-CB 4.01Å; I53-K128 HydrophobicContact CB-CB 4.3Å; I53-K128 HydrophobicContact CB-CG 4.5Å; I53-K128 HydrophobicContact CG2-CB 3.64Å; I53-K128 HydrophobicContact CG2-CG 4.06Å
54G97.8Very high94.3Very high0 Ų038.1 Ų38.10%021%0.211CC..THydrogen-bonded Turntrans82.3-136.1177.400000114P41 Y43 A56 A57 K58P41-G54 WeakPolarHBondContact O-CA 3.36Å; Y43-G54 PolarHBondContact O-N 2.76Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.45Å; G54-A57 PolarHBondContact O-N 3.34Å; G54-A57 VanDerWaalsContact O-N 3.15Å; G54-K58 PolarHBondContact O-N 3.17Å
55D96.6Very high94.1Very high27 Ų2738.8 Ų38.814%0.14422%0.215CC..Hα-helixtrans-58.3-40.9-176-70.4-53.8000112N33 Q35 N37 P41 A57 K58 N59N33-D55 PolarHBondContact ND2-OD2 3.44Å; Q35-D55 HydrophobicContact CG-CB 4.32Å; N37-D55 PolarHBondContact ND2-OD2 2.94Å; P41-D55 WeakPolarHBondContact CD-OD1 3.5Å; P41-D55 VanDerWaalsContact CG-OD1 3.31Å; P41-D55 WeakPolarHBondContact CG-OD1 3.37Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.16Å; D55-K58 PolarHBondContact O-N 3.08Å; D55-N59 WeakPolarHBondContact O-CB 3.39Å; D55-N59 PolarHBondContact O-N 3.18Å; D55-N59 PolarHBondContact O-ND2 2.81Å
56A94.8Very high94Very high47 Ų4740.9 Ų40.939%0.38823%0.229SC..Hα-helixtrans-58.9-44.1177.200000112.1L52 G54 Q60L52-A56 HydrophobicContact CB-CB 4.11Å; L52-A56 HydrophobicContact CD2-CB 4.23Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.45Å; A56-Q60 WeakPolarHBondContact O-CG 3.35Å
57A97.3Very high94.1Very high0 Ų042.1 Ų42.10%024%0.236CC..Hα-helixtrans-66.8-44.3176.900000112A45 L52 G54 D55 N59 Q60 V61A45-A57 HydrophobicContact CB-CB 3.83Å; L52-A57 HydrophobicContact CB-CB 4.15Å; L52-A57 WeakPolarHBondContact O-CB 3.34Å; G54-A57 PolarHBondContact O-N 3.34Å; G54-A57 VanDerWaalsContact O-N 3.15Å; D55-A57 VanDerWaalsContact C-N 3.34Å; D55-A57 PolarHBondContact O-N 3.16Å; A57-N59 VanDerWaalsContact C-N 3.33Å; A57-N59 PolarHBondContact O-N 3.28Å; A57-Q60 PolarHBondContact O-N 2.84Å; A57-Q60 PolarHBondContact O-NE2 3.09Å; A57-V61 PolarHBondContact O-N 3.43Å
58K96.2Very high94.3Very high33 Ų3340.7 Ų40.714%0.14323%0.228CC..Hα-helixtrans-61.9-39.5178.4-174.4169.2179.9161.90111.7Y17 P41 Y43 G54 D55 Q60 V61 E270Y17-K58 PolarHBondContact OH-NZ 2.89Å; P41-K58 HydrophobicContact CB-CB 4.07Å; P41-K58 HydrophobicContact CB-CD 3.89Å; P41-K58 HydrophobicContact CG-CB 4.1Å; P41-K58 HydrophobicContact CG-CD 3.72Å; Y43-K58 HydrophobicContact CD1-CB 4.05Å; Y43-K58 HydrophobicContact CD1-CG 4.36Å; Y43-K58 HydrophobicContact CE1-CB 4.47Å; Y43-K58 HydrophobicContact CE1-CG 4.28Å; Y43-K58 HydrophobicContact CE2-CD 4.49Å; Y43-K58 HydrophobicContact CG-CB 4.09Å; G54-K58 PolarHBondContact O-N 3.17Å; D55-K58 PolarHBondContact O-N 3.08Å; K58-Q60 VanDerWaalsContact C-N 3.35Å; K58-Q60 PolarHBondContact O-N 3.15Å; K58-V61 WeakPolarHBondContact O-CG1 3.41Å; K58-V61 PolarHBondContact O-N 2.84Å; K58-E270 IonicContact NZ-OE1 2.79Å; K58-E270 PolarHBondContact NZ-OE1 3.13Å; K58-E270 IonicContact NZ-OE2 3.71Å
59N94.4Very high94.7Very high132 Ų13235.1 Ų35.171%0.70620%0.198SC*.Hα-helixtrans-65-35.2-177.5-72.3-18.6000113.2D55 A57D55-N59 WeakPolarHBondContact O-CB 3.39Å; D55-N59 PolarHBondContact O-N 3.18Å; D55-N59 PolarHBondContact O-ND2 2.81Å; A57-N59 VanDerWaalsContact C-N 3.33Å; A57-N59 PolarHBondContact O-N 3.28Å
60Q94.2Very high95.3Very high31 Ų3132.3 Ų32.315%0.14518%0.18CC..Hα-helixtrans-94.90.3-177.764.577.77100114.8L52 A56 A57 K58 A62 L63 N64 T68L52-Q60 HydrophobicContact CD1-CG 3.85Å; A56-Q60 WeakPolarHBondContact O-CG 3.35Å; A57-Q60 PolarHBondContact O-N 2.84Å; A57-Q60 PolarHBondContact O-NE2 3.09Å; K58-Q60 VanDerWaalsContact C-N 3.35Å; K58-Q60 PolarHBondContact O-N 3.15Å; Q60-A62 PolarHBondContact O-N 3.15Å; Q60-L63 WeakPolarHBondContact O-CA 3.47Å; Q60-L63 WeakPolarHBondContact O-CB 3.48Å; Q60-L63 PolarHBondContact O-N 3.25Å; Q60-N64 PolarHBondContact O-N 3.35Å; Q60-N64 PolarHBondContact OE1-ND2 2.86Å; Q60-T68 PolarHBondContact NE2-OG1 3.14Å
61V94.4Very high95.6Very high4 Ų430.2 Ų30.22%0.02417%0.171CC..THydrogen-bonded Turntrans-55-31.6-175.3720000113.8Y43 A57 K58 L63 N64 P65 T68 F70 R263Y43-V61 HydrophobicContact CE1-CG2 4.28Å; A57-V61 PolarHBondContact O-N 3.43Å; K58-V61 WeakPolarHBondContact O-CG1 3.41Å; K58-V61 PolarHBondContact O-N 2.84Å; V61-L63 VanDerWaalsContact C-N 3.34Å; V61-N64 CarbonylContact O-C 3.56Å; V61-P65 WeakPolarHBondContact O-CA 3.32Å; V61-P65 WeakPolarHBondContact O-CB 3.28Å; V61-T68 HydrophobicContact CB-CG2 3.92Å; V61-T68 HydrophobicContact CG2-CG2 3.65Å; V61-F70 HydrophobicContact CG2-CE1 4.3Å; V61-R263 HydrophobicContact CB-CG 4.45Å; V61-R263 HydrophobicContact CG1-CG 3.87Å; V61-R263 HydrophobicContact CG2-CG 3.94Å
62A91.1Very high95.7Very high26 Ų2629.6 Ų29.622%0.21517%0.17CC..THydrogen-bonded Turntrans-75.2-24.3178.500000113.1Q60 R260 R264Q60-A62 PolarHBondContact O-N 3.15Å; A62-R260 WeakPolarHBondContact O-CG 3.16Å; A62-R264 HydrophobicContact CB-CG 4.06Å
63L92.7Very high95.7Very high132 Ų13228.7 Ų28.769%0.69117%0.165SC*.THydrogen-bonded Turntrans-86.5-35.7177.2-61.7174.6000111.1Q60 V61 P65Q60-L63 WeakPolarHBondContact O-CA 3.47Å; Q60-L63 WeakPolarHBondContact O-CB 3.48Å; Q60-L63 PolarHBondContact O-N 3.25Å; V61-L63 VanDerWaalsContact C-N 3.34Å; L63-P65 VanDerWaalsContact C-CD 3.43Å; L63-P65 WeakPolarHBondContact O-CD 3.43Å
64N94.9Very high95.6Very high30 Ų3027.9 Ų27.916%0.1616%0.16CC..SBendtrans-127.960.1-176.4-172.414.4000112.5F46 Q60 V61 S66 N67 T68F46-N64 PolarHBondContact O-ND2 3.43Å; Q60-N64 PolarHBondContact O-N 3.35Å; Q60-N64 PolarHBondContact OE1-ND2 2.86Å; V61-N64 CarbonylContact O-C 3.56Å; N64-S66 VanDerWaalsContact C-N 3.33Å; N64-S66 PolarHBondContact O-N 3.21Å; N64-N67 PolarHBondContact O-N 3.25Å; N64-N67 WeakPolarHBondContact OD1-CB 3.32Å; N64-N67 PolarHBondContact OD1-ND2 3.21Å; N64-T68 WeakPolarHBondContact O-CB 3.46Å; N64-T68 PolarHBondContact O-N 3.32Å; N64-T68 PolarHBondContact O-OG1 2.96Å
65P94.6Very high95.4Very high14 Ų1427.9 Ų27.99%0.09116%0.16CC..G310 helixtrans-67.4-30.8-171.226.6-35.6000113.3V61 L63 P93 K259V61-P65 WeakPolarHBondContact O-CA 3.32Å; V61-P65 WeakPolarHBondContact O-CB 3.28Å; L63-P65 VanDerWaalsContact C-CD 3.43Å; L63-P65 WeakPolarHBondContact O-CD 3.43Å; P65-P93 HydrophobicContact CB-CB 3.88Å; P65-P93 HydrophobicContact CB-CG 4.31Å; P65-P93 WeakPolarHBondContact O-CB 3.44Å; P65-P93 WeakPolarHBondContact O-CG 3.36Å; P65-K259 HydrophobicContact CB-CB 4.34Å; P65-K259 HydrophobicContact CG-CB 4.05Å
66S95.9Very high95.3Very high44 Ų4426.6 Ų26.631%0.30815%0.154SC..G310 helixtrans-74.7-26.5-176.9-600000113.5N64 F94 K259N64-S66 VanDerWaalsContact C-N 3.33Å; N64-S66 PolarHBondContact O-N 3.21Å; S66-F94 WeakPolarHBondContact O-CB 3.36Å; S66-K259 PolarHBondContact OG-NZ 3.22Å
67N97.5Very high95.1Very high27 Ų2725 Ų2514%0.14414%0.142CC..G310 helixtrans-111.216.9-178-51-50.1000112.5A45 F46 N64 V107 E108A45-N67 WeakPolarHBondContact CA-O 3.39Å; F46-N67 HydrophobicContact CB-CB 4.44Å; F46-N67 PolarHBondContact N-O 2.86Å; F46-N67 WeakPolarHBondContact O-CB 3.24Å; N64-N67 PolarHBondContact O-N 3.25Å; N64-N67 WeakPolarHBondContact OD1-CB 3.32Å; N64-N67 PolarHBondContact OD1-ND2 3.21Å; N67-V107 HydrophobicContact CB-CB 4.4Å; N67-E108 PolarHBondContact OD1-N 3.08Å
68T98Very high94.9Very high0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-112.9110.7173.3-52.90000109.5Y43 V44 A45 Q60 V61 N64 F94Y43-T68 HydrophobicContact CD1-CG2 3.96Å; V44-T68 CarbonylContact O-C 3.5Å; A45-T68 HydrophobicContact CB-CG2 4.02Å; Q60-T68 PolarHBondContact NE2-OG1 3.14Å; V61-T68 HydrophobicContact CB-CG2 3.92Å; V61-T68 HydrophobicContact CG2-CG2 3.65Å; N64-T68 WeakPolarHBondContact O-CB 3.46Å; N64-T68 PolarHBondContact O-N 3.32Å; N64-T68 PolarHBondContact O-OG1 2.96Å; T68-F94 WeakPolarHBondContact O-CD1 3.05Å
69V98.1Very high94.6Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-94.8134.6-177.5-167.50000109.7Y43 V44 F46 F94 I105 V107 I121Y43-V69 WeakPolarHBondContact CA-O 3.49Å; V44-V69 PolarHBondContact N-O 3.47Å; V44-V69 PolarHBondContact O-N 2.98Å; F46-V69 HydrophobicContact CE2-CG2 4.1Å; V69-F94 HydrophobicContact CG1-CE1 4.3Å; V69-F94 HydrophobicContact CG1-CE2 4.44Å; V69-F94 HydrophobicContact CG1-CZ 4.23Å; V69-I105 HydrophobicContact CB-CG2 4.5Å; V69-I105 HydrophobicContact CG1-CG1 4.25Å; V69-I105 HydrophobicContact CG1-CG2 4.01Å; V69-I105 HydrophobicContact CG2-CG2 3.63Å; V69-V107 HydrophobicContact CG2-CG1 3.8Å; V69-I121 HydrophobicContact CB-CG2 4.24Å; V69-I121 HydrophobicContact CG1-CG1 4.31Å; V69-I121 HydrophobicContact CG1-CG2 3.87Å; V69-I121 HydrophobicContact CG2-CD1 4.43Å
70F96.6Very high94.6Very high3 Ų325 Ų251%0.01314%0.135CC..  trans-147.8170.4174.955.1-87.7000108.4Y43 V61 A72 W92 P93 F94Y43-F70 HydrophobicContact CD1-CB 3.83Å; Y43-F70 HydrophobicContact CD1-CD1 4.24Å; Y43-F70 HydrophobicContact CD1-CG 4.34Å; Y43-F70 HydrophobicContact CD2-CB 3.86Å; Y43-F70 HydrophobicContact CE1-CB 3.62Å; Y43-F70 AromaticContact CE1-CD1 3.71Å; Y43-F70 HydrophobicContact CE1-CD1 3.71Å; Y43-F70 AromaticContact CE1-CG 3.74Å; Y43-F70 HydrophobicContact CE1-CG 3.74Å; Y43-F70 HydrophobicContact CE2-CB 3.62Å; Y43-F70 HydrophobicContact CE2-CG 4.35Å; Y43-F70 HydrophobicContact CG-CB 3.94Å; Y43-F70 VanDerWaalsContact CZ-CB 3.48Å; Y43-F70 AromaticContact CZ-CG 3.72Å; V61-F70 HydrophobicContact CG2-CE1 4.3Å; F70-A72 PolarHBondContact O-N 3.39Å; F70-A72 VanDerWaalsContact O-N 3.1Å; F70-W92 AromaticContact CE2-CD1 3.97Å; F70-P93 HydrophobicContact CE1-CG 3.83Å; F70-P93 HydrophobicContact CZ-CG 4.02Å; F70-F94 HydrophobicContact CD1-CE1 4.08Å; F70-F94 HydrophobicContact CE1-CD1 4.34Å; F70-F94 HydrophobicContact CE1-CE1 4.04Å; F70-F94 HydrophobicContact CG-CE1 4.39Å; F70-F94 HydrophobicContact CZ-CE1 4.31Å; F70-F94 WeakPolarHBondContact O-CZ 3.33Å
71D95.6Very high94.5Very high7 Ų731.1 Ų31.14%0.03716%0.163CC..  trans56.222.5-176.1-54.1-25.3000114.7T15 K73 R74 W92T15-D71 HydrophobicContact CG2-CB 4.22Å; D71-K73 PolarHBondContact O-N 3.39Å; D71-R74 WeakPolarHBondContact O-CB 3.26Å; D71-R74 PolarHBondContact O-N 2.7Å; D71-W92 HydrophobicContact CB-CZ2 4.27Å; D71-W92 PolarHBondContact OD2-NE1 2.79Å
72A96.5Very high94.3Very high9 Ų933.2 Ų33.27%0.07417%0.173CC..Hα-helixtrans-56.1-27.9179.700000112.5F70 R74 L75 I76 I121F70-A72 PolarHBondContact O-N 3.39Å; F70-A72 VanDerWaalsContact O-N 3.1Å; A72-R74 PolarHBondContact O-N 2.99Å; A72-L75 WeakPolarHBondContact O-CB 3.29Å; A72-L75 PolarHBondContact O-N 3.31Å; A72-I76 PolarHBondContact O-N 2.93Å; A72-I121 HydrophobicContact CB-CB 4.12Å; A72-I121 HydrophobicContact CB-CG2 3.72Å
73K96.1Very high94.4Very high13 Ų1337.2 Ų37.26%0.05720%0.197CC..Hα-helixtrans-62.4-22.6174.1-163.6175.5-175.2-175.70113.8L13 T15 D71 L75 I76 F152 E177L13-K73 WeakPolarHBondContact O-CD 3.19Å; L13-K73 WeakPolarHBondContact O-CE 3.34Å; L13-K73 PolarHBondContact O-NZ 3.26Å; T15-K73 HydrophobicContact CG2-CB 4.46Å; D71-K73 PolarHBondContact O-N 3.39Å; K73-L75 VanDerWaalsContact C-N 3.34Å; K73-I76 HydrophobicContact CG-CG2 4.46Å; K73-I76 WeakPolarHBondContact O-CG2 3.47Å; K73-F152 HydrophobicContact CG-CZ 4.05Å; K73-E177 IonicContact NZ-OE1 2.71Å; K73-E177 PolarHBondContact NZ-OE1 3.44Å
74R94.4Very high94.2Very high6 Ų633.1 Ų33.12%0.02318%0.177CC..Hα-helixtrans-77.7-18.8171.8-75.7-169164.6-169.6-2.7113.1T15 D71 A72 R78 D88 W92 G205 D234T15-R74 HydrophobicContact CG2-CG 4.23Å; D71-R74 WeakPolarHBondContact O-CB 3.26Å; D71-R74 PolarHBondContact O-N 2.7Å; A72-R74 PolarHBondContact O-N 2.99Å; R74-R78 WeakPolarHBondContact O-CD 3.42Å; R74-R78 PolarHBondContact O-NE 3.44Å; R74-D88 WeakPolarHBondContact CD-OD2 3.33Å; R74-D88 IonicContact NH1-OD1 3.53Å; R74-W92 HydrophobicContact CB-CZ2 4.27Å; R74-G205 PolarHBondContact NE-O 3.1Å; R74-G205 PolarHBondContact NH2-O 2.72Å; R74-D234 IonicContact CZ-OD1 2.83Å; R74-D234 IonicContact CZ-OD2 2.56Å; R74-D234 IonicContact NH1-OD1 3.54Å; R74-D234 PolarHBondContact NH1-OD1 3.44Å; R74-D234 IonicContact NH1-OD2 3.93Å; R74-D234 IonicContact NH2-OD1 2.76Å; R74-D234 PolarHBondContact NH2-OD1 3.44Å; R74-D234 IonicContact NH2-OD2 3.92Å; R74-D234 PolarHBondContact NH2-OD2 2.97Å
75L94.4Very high94.2Very high0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-97.2-26.5177.7-73175.2000113.8A72 K73 G77 R78 V85 W92 V96 P103 I105 P118A72-L75 WeakPolarHBondContact O-CB 3.29Å; A72-L75 PolarHBondContact O-N 3.31Å; K73-L75 VanDerWaalsContact C-N 3.34Å; L75-G77 PolarHBondContact O-N 3.27Å; L75-R78 PolarHBondContact O-N 3.03Å; L75-R78 VanDerWaalsContact O-N 3.16Å; L75-V85 HydrophobicContact CD2-CG1 3.72Å; L75-V85 HydrophobicContact CD2-CG2 4.2Å; L75-W92 HydrophobicContact CD1-CE3 4.45Å; L75-W92 HydrophobicContact CD1-CH2 3.88Å; L75-W92 HydrophobicContact CD1-CZ3 3.81Å; L75-W92 HydrophobicContact CD2-CH2 3.48Å; L75-W92 VanDerWaalsContact CD2-CH2 3.48Å; L75-W92 HydrophobicContact CD2-CZ3 3.54Å; L75-W92 HydrophobicContact CG-CH2 3.43Å; L75-W92 VanDerWaalsContact CG-CH2 3.43Å; L75-W92 HydrophobicContact CG-CZ2 4.26Å; L75-W92 HydrophobicContact CG-CZ3 3.77Å; L75-V96 HydrophobicContact CD1-CG2 4.22Å; L75-P103 HydrophobicContact CD2-CB 4.19Å; L75-P103 HydrophobicContact CD2-CG 4.31Å; L75-I105 HydrophobicContact CD1-CD1 4.05Å; L75-I105 HydrophobicContact CD1-CG1 4.02Å; L75-P118 HydrophobicContact CB-CB 4.06Å; L75-P118 HydrophobicContact CB-CG 3.64Å
76I94.1Very high94.2Very high1 Ų134.6 Ų34.61%0.00518%0.182CC..THydrogen-bonded Turntrans-57.9131.7-173.5-158.4168.7000111.3A72 K73 R78 P118 E119 F152 Q156 A159A72-I76 PolarHBondContact O-N 2.93Å; K73-I76 HydrophobicContact CG-CG2 4.46Å; K73-I76 WeakPolarHBondContact O-CG2 3.47Å; I76-R78 PolarHBondContact O-N 3.22Å; I76-P118 HydrophobicContact CB-CB 4.08Å; I76-P118 HydrophobicContact CG1-CB 4.31Å; I76-E119 HydrophobicContact CD1-CG 4.46Å; I76-E119 HydrophobicContact CG1-CG 4.25Å; I76-F152 HydrophobicContact CG2-CE2 4.15Å; I76-F152 HydrophobicContact CG2-CZ 4.22Å; I76-Q156 WeakPolarHBondContact O-CG 3.33Å; I76-A159 HydrophobicContact CD1-CB 4.3Å; I76-A159 HydrophobicContact CG1-CB 3.64Å
77G90.7Very high94.1Very high14 Ų1434.4 Ų34.414%0.14418%0.183CC..THydrogen-bonded Turntrans67.19.1179.800000116.4L75 S155L75-G77 PolarHBondContact O-N 3.27Å; G77-S155 PolarHBondContact O-OG 3.22Å
78R91.6Very high93.8Very high25 Ų2533.6 Ų33.69%0.09418%0.179CC..  trans-99161.3177.7-63.5-166.6-177.5-81.21.1113.1R74 L75 I76 E82 V85 P103 T228 H229R74-R78 WeakPolarHBondContact O-CD 3.42Å; R74-R78 PolarHBondContact O-NE 3.44Å; L75-R78 PolarHBondContact O-N 3.03Å; L75-R78 VanDerWaalsContact O-N 3.16Å; I76-R78 PolarHBondContact O-N 3.22Å; R78-E82 WeakPolarHBondContact CA-OE1 3.45Å; R78-E82 WeakPolarHBondContact CD-OE2 3.27Å; R78-E82 IonicContact NH1-OE2 3.61Å; R78-E82 PolarHBondContact NH1-OE2 3.45Å; R78-V85 HydrophobicContact CB-CG2 3.77Å; R78-V85 HydrophobicContact CG-CG2 4.33Å; R78-P103 WeakPolarHBondContact O-CD 3.31Å; R78-T228 PolarHBondContact NH2-OG1 3.45Å; R78-H229 PolarHBondContact NH2-ND1 3.04Å
79K90.9Very high93.6Very high103 Ų10336 Ų3645%0.44819%0.19SC..  trans-89.8147.6169.6-61.9170.8-175.5164.10110.7E81 E82K79-E81 VanDerWaalsContact C-N 3.26Å; K79-E81 PolarHBondContact O-N 3.16Å; K79-E82 HydrophobicContact CB-CG 4.18Å; K79-E82 PolarHBondContact N-OE1 2.84Å; K79-E82 WeakPolarHBondContact O-CB 3.11Å; K79-E82 PolarHBondContact O-N 2.87Å
80F93.9Very high93.2Very high37 Ų3744 Ų4416%0.16223%0.225CC..THydrogen-bonded Turntrans-58.2-39.6-177.9180-93.3000112.3E82 Q86 M89 V96 L97 G101 P103F80-E82 VanDerWaalsContact C-N 3.29Å; F80-E82 PolarHBondContact O-N 3.2Å; F80-Q86 PolarHBondContact O-NE2 3.01Å; F80-M89 HydrophobicContact CD2-SD 4.35Å; F80-M89 HydrophobicContact CE2-CE 3.76Å; F80-M89 HydrophobicContact CE2-SD 3.73Å; F80-M89 HydrophobicContact CZ-CE 3.85Å; F80-M89 HydrophobicContact CZ-SD 4.09Å; F80-V96 HydrophobicContact CD2-CG1 4.18Å; F80-V96 HydrophobicContact CE2-CG1 4.1Å; F80-L97 WeakPolarHBondContact CD2-O 3.47Å; F80-G101 WeakPolarHBondContact CB-O 3.34Å; F80-G101 PolarHBondContact N-O 3.35Å; F80-P103 HydrophobicContact CD2-CB 4.29Å
81E92.9Very high92.9Very high158 Ų15847.3 Ų47.374%0.73824%0.241SC*.THydrogen-bonded Turntrans-81.3-2.8-175.6-62.9178.6-179.400114.1K79K79-E81 VanDerWaalsContact C-N 3.26Å; K79-E81 PolarHBondContact O-N 3.16Å
82E90.2Very high92.8Very high48 Ų4848 Ų4822%0.22424%0.243CC..  trans-58.3135177.7-82.8175.6-136.300110.8R78 K79 F80 V84 V85 Q86R78-E82 WeakPolarHBondContact CA-OE1 3.45Å; R78-E82 WeakPolarHBondContact CD-OE2 3.27Å; R78-E82 IonicContact NH1-OE2 3.61Å; R78-E82 PolarHBondContact NH1-OE2 3.45Å; K79-E82 HydrophobicContact CB-CG 4.18Å; K79-E82 PolarHBondContact N-OE1 2.84Å; K79-E82 WeakPolarHBondContact O-CB 3.11Å; K79-E82 PolarHBondContact O-N 2.87Å; F80-E82 VanDerWaalsContact C-N 3.29Å; F80-E82 PolarHBondContact O-N 3.2Å; E82-V84 HydrophobicContact CB-CG2 4.23Å; E82-V84 PolarHBondContact O-N 3.02Å; E82-V84 VanDerWaalsContact O-N 3.12Å; E82-V85 HydrophobicContact CB-CB 4.34Å; E82-V85 HydrophobicContact CB-CG2 4.03Å; E82-V85 WeakPolarHBondContact O-CB 3.43Å; E82-V85 PolarHBondContact O-N 3.12Å; E82-Q86 PolarHBondContact O-N 3.09Å
83P92Very high92.7Very high110 Ų11048.2 Ų48.271%0.71424%0.243SC*.Hα-helixtrans-54.8-36.1-177.9-28.935.2000113.8Q86 A87P83-Q86 PolarHBondContact O-N 3.46Å; P83-A87 WeakPolarHBondContact O-CB 3.45Å; P83-A87 PolarHBondContact O-N 3.19Å
84V90.2Very high92.7Very high47 Ų4748 Ų4829%0.28524%0.242SC..Hα-helixtrans-67.8-38.8177.8-63.30000112.2E82 A87 D88E82-V84 HydrophobicContact CB-CG2 4.23Å; E82-V84 PolarHBondContact O-N 3.02Å; E82-V84 VanDerWaalsContact O-N 3.12Å; V84-A87 PolarHBondContact O-N 3.23Å; V84-D88 PolarHBondContact O-N 3.08Å
85V93.7Very high92.8Very high0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-66.3-45175.5174.50000110.2L75 R78 E82 A87 D88 M89L75-V85 HydrophobicContact CD2-CG1 3.72Å; L75-V85 HydrophobicContact CD2-CG2 4.2Å; R78-V85 HydrophobicContact CB-CG2 3.77Å; R78-V85 HydrophobicContact CG-CG2 4.33Å; E82-V85 HydrophobicContact CB-CB 4.34Å; E82-V85 HydrophobicContact CB-CG2 4.03Å; E82-V85 WeakPolarHBondContact O-CB 3.43Å; E82-V85 PolarHBondContact O-N 3.12Å; V85-A87 VanDerWaalsContact C-N 3.26Å; V85-A87 PolarHBondContact O-N 3.2Å; V85-D88 PolarHBondContact O-N 3.35Å; V85-M89 HydrophobicContact CG1-CG 4.36Å; V85-M89 HydrophobicContact CG1-SD 4.05Å; V85-M89 WeakPolarHBondContact O-CB 3.35Å; V85-M89 VanDerWaalsContact O-CG 3.25Å; V85-M89 WeakPolarHBondContact O-CG 3.42Å; V85-M89 PolarHBondContact O-N 3.46Å
86Q95.4Very high92.9Very high75 Ų7553.7 Ų53.735%0.3527%0.268SS..Hα-helixtrans-64.1-30.7177.1-66.8-61.2-5400112.8F80 E82 P83 K90F80-Q86 PolarHBondContact O-NE2 3.01Å; E82-Q86 PolarHBondContact O-N 3.09Å; P83-Q86 PolarHBondContact O-N 3.46Å; Q86-K90 WeakPolarHBondContact O-CE 3.21Å
87A92.3Very high93Very high40 Ų4056.1 Ų56.133%0.33128%0.281SS..Hα-helixtrans-70.9-49.9173.700000111.3P83 V84 V85 M89 K90P83-A87 WeakPolarHBondContact O-CB 3.45Å; P83-A87 PolarHBondContact O-N 3.19Å; V84-A87 PolarHBondContact O-N 3.23Å; V85-A87 VanDerWaalsContact C-N 3.26Å; V85-A87 PolarHBondContact O-N 3.2Å; A87-M89 PolarHBondContact O-N 3.13Å; A87-K90 WeakPolarHBondContact O-CB 3.37Å; A87-K90 PolarHBondContact O-N 3.34Å
88D91.9Very high93.2Very high9 Ų958.3 Ų58.35%0.04829%0.294CS..Hα-helixtrans-63.5-37.5-178.6-78.1-5.2000113.6R74 V84 V85 K90 H91 W92 H229R74-D88 WeakPolarHBondContact CD-OD2 3.33Å; R74-D88 IonicContact NH1-OD1 3.53Å; V84-D88 PolarHBondContact O-N 3.08Å; V85-D88 PolarHBondContact O-N 3.35Å; D88-K90 PolarHBondContact O-N 3.43Å; D88-H91 WeakPolarHBondContact O-CA 3.25Å; D88-H91 WeakPolarHBondContact O-CB 3.26Å; D88-H91 PolarHBondContact O-N 3.14Å; D88-W92 HydrophobicContact CB-CD2 4.35Å; D88-W92 HydrophobicContact CB-CE3 4.2Å; D88-W92 HydrophobicContact CB-CH2 3.24Å; D88-W92 HydrophobicContact CB-CZ2 3.49Å; D88-W92 VanDerWaalsContact CB-CZ2 3.49Å; D88-W92 HydrophobicContact CB-CZ3 3.62Å; D88-W92 PolarHBondContact O-N 3.47Å; D88-H229 IonicContact OD1-CD2 3.44Å; D88-H229 IonicContact OD1-CE1 3.64Å; D88-H229 IonicContact OD1-NE2 2.68Å; D88-H229 PolarHBondContact OD1-NE2 2.85Å; D88-H229 IonicContact OD2-CE1 2.72Å; D88-H229 PolarHBondContact OD2-CE1 3.05Å; D88-H229 IonicContact OD2-NE2 2.71Å; D88-H229 PolarHBondContact OD2-NE2 2.95Å
89M93.9Very high93.2Very high51 Ų5161.6 Ų61.625%0.25131%0.31SS..THydrogen-bonded Turntrans-55.9-21.8178.4-78.6177.759.600113.4F80 V85 A87 H91 W92 V96F80-M89 HydrophobicContact CD2-SD 4.35Å; F80-M89 HydrophobicContact CE2-CE 3.76Å; F80-M89 HydrophobicContact CE2-SD 3.73Å; F80-M89 HydrophobicContact CZ-CE 3.85Å; F80-M89 HydrophobicContact CZ-SD 4.09Å; V85-M89 HydrophobicContact CG1-CG 4.36Å; V85-M89 HydrophobicContact CG1-SD 4.05Å; V85-M89 WeakPolarHBondContact O-CB 3.35Å; V85-M89 VanDerWaalsContact O-CG 3.25Å; V85-M89 WeakPolarHBondContact O-CG 3.42Å; V85-M89 PolarHBondContact O-N 3.46Å; A87-M89 PolarHBondContact O-N 3.13Å; M89-H91 VanDerWaalsContact C-N 3.25Å; M89-H91 PolarHBondContact O-N 2.92Å; M89-W92 HydrophobicContact CB-CE3 4.4Å; M89-W92 HydrophobicContact CG-CE3 3.96Å; M89-W92 HydrophobicContact CG-CZ3 3.85Å; M89-V96 HydrophobicContact CE-CB 3.89Å; M89-V96 HydrophobicContact CG-CB 4.11Å; M89-V96 HydrophobicContact CG-CG2 4.17Å; M89-V96 HydrophobicContact SD-CB 3.95Å; M89-V96 HydrophobicContact SD-CG1 4.2Å
90K90.6Very high92.9Very high169 Ų16960.8 Ų60.874%0.73533%0.331SS*.THydrogen-bonded Turntrans-73.5-18.9175.5-59.6172.2-174.8172.20112.8Q86 A87 D88Q86-K90 WeakPolarHBondContact O-CE 3.21Å; A87-K90 WeakPolarHBondContact O-CB 3.37Å; A87-K90 PolarHBondContact O-N 3.34Å; D88-K90 PolarHBondContact O-N 3.43Å
91H89Confident92.6Very high72 Ų7260.4 Ų60.433%0.33334%0.338SS..THydrogen-bonded Turntrans-103.6-16-176-59.9-57.2000113.1D88 M89D88-H91 WeakPolarHBondContact O-CA 3.25Å; D88-H91 WeakPolarHBondContact O-CB 3.26Å; D88-H91 PolarHBondContact O-N 3.14Å; M89-H91 VanDerWaalsContact C-N 3.25Å; M89-H91 PolarHBondContact O-N 2.92Å
92W93.7Very high92.5Very high22 Ų2254 Ų548%0.08331%0.307CS..  trans-86.1139.1-179.9-65.4-40.6000113.3F70 D71 R74 L75 D88 M89 F94 V96F70-W92 AromaticContact CE2-CD1 3.97Å; D71-W92 HydrophobicContact CB-CZ2 4.27Å; D71-W92 PolarHBondContact OD2-NE1 2.79Å; R74-W92 HydrophobicContact CB-CZ2 4.27Å; L75-W92 HydrophobicContact CD1-CE3 4.45Å; L75-W92 HydrophobicContact CD1-CH2 3.88Å; L75-W92 HydrophobicContact CD1-CZ3 3.81Å; L75-W92 HydrophobicContact CD2-CH2 3.48Å; L75-W92 VanDerWaalsContact CD2-CH2 3.48Å; L75-W92 HydrophobicContact CD2-CZ3 3.54Å; L75-W92 HydrophobicContact CG-CH2 3.43Å; L75-W92 VanDerWaalsContact CG-CH2 3.43Å; L75-W92 HydrophobicContact CG-CZ2 4.26Å; L75-W92 HydrophobicContact CG-CZ3 3.77Å; D88-W92 HydrophobicContact CB-CD2 4.35Å; D88-W92 HydrophobicContact CB-CE3 4.2Å; D88-W92 HydrophobicContact CB-CH2 3.24Å; D88-W92 HydrophobicContact CB-CZ2 3.49Å; D88-W92 VanDerWaalsContact CB-CZ2 3.49Å; D88-W92 HydrophobicContact CB-CZ3 3.62Å; D88-W92 PolarHBondContact O-N 3.47Å; M89-W92 HydrophobicContact CB-CE3 4.4Å; M89-W92 HydrophobicContact CG-CE3 3.96Å; M89-W92 HydrophobicContact CG-CZ3 3.85Å; W92-F94 HydrophobicContact CB-CD1 4.2Å; W92-F94 HydrophobicContact CB-CD2 4.15Å; W92-F94 HydrophobicContact CB-CE1 3.87Å; W92-F94 HydrophobicContact CB-CE2 3.81Å; W92-F94 HydrophobicContact CB-CG 4.34Å; W92-F94 HydrophobicContact CB-CZ 3.68Å; W92-F94 AromaticContact CD1-CE1 3.82Å; W92-F94 AromaticContact CD1-CZ 3.56Å; W92-F94 AromaticContact CD2-CE2 3.78Å; W92-F94 HydrophobicContact CD2-CE2 3.78Å; W92-F94 AromaticContact CD2-CZ 3.58Å; W92-F94 HydrophobicContact CD2-CZ 3.58Å; W92-F94 AromaticContact CE2-CZ 3.99Å; W92-F94 AromaticContact CE3-CE2 3.91Å; W92-F94 HydrophobicContact CE3-CE2 3.91Å; W92-F94 HydrophobicContact CE3-CZ 4.18Å; W92-F94 AromaticContact CG-CE1 3.81Å; W92-F94 HydrophobicContact CG-CE1 3.81Å; W92-F94 AromaticContact CG-CE2 3.75Å; W92-F94 HydrophobicContact CG-CE2 3.75Å; W92-F94 AromaticContact CG-CZ 3.32Å; W92-F94 HydrophobicContact CG-CZ 3.32Å; W92-F94 AromaticContact NE1-CZ 3.95Å; W92-V96 HydrophobicContact CE3-CG2 4.08Å; W92-V96 HydrophobicContact CZ3-CG2 4.36Å
93P94.1Very high92.7Very high13 Ų1351.9 Ų51.98%0.08430%0.297CS..SBendtrans-80.2-24.3175.431.3-34.3000113.1P65 F70 K259P65-P93 HydrophobicContact CB-CB 3.88Å; P65-P93 HydrophobicContact CB-CG 4.31Å; P65-P93 WeakPolarHBondContact O-CB 3.44Å; P65-P93 WeakPolarHBondContact O-CG 3.36Å; F70-P93 HydrophobicContact CE1-CG 3.83Å; F70-P93 HydrophobicContact CZ-CG 4.02Å; P93-K259 HydrophobicContact CB-CB 4.42Å; P93-K259 HydrophobicContact CB-CD 4.24Å; P93-K259 WeakPolarHBondContact O-CE 3.38Å; P93-K259 PolarHBondContact O-NZ 3.37Å
94F96.1Very high93Very high8 Ų847.6 Ų47.64%0.03527%0.267CS..SBendtrans-82.5157.6176.352.9-97.8000111.2S66 T68 V69 F70 W92 V96 I105S66-F94 WeakPolarHBondContact O-CB 3.36Å; T68-F94 WeakPolarHBondContact O-CD1 3.05Å; V69-F94 HydrophobicContact CG1-CE1 4.3Å; V69-F94 HydrophobicContact CG1-CE2 4.44Å; V69-F94 HydrophobicContact CG1-CZ 4.23Å; F70-F94 HydrophobicContact CD1-CE1 4.08Å; F70-F94 HydrophobicContact CE1-CD1 4.34Å; F70-F94 HydrophobicContact CE1-CE1 4.04Å; F70-F94 HydrophobicContact CG-CE1 4.39Å; F70-F94 HydrophobicContact CZ-CE1 4.31Å; F70-F94 WeakPolarHBondContact O-CZ 3.33Å; W92-F94 HydrophobicContact CB-CD1 4.2Å; W92-F94 HydrophobicContact CB-CD2 4.15Å; W92-F94 HydrophobicContact CB-CE1 3.87Å; W92-F94 HydrophobicContact CB-CE2 3.81Å; W92-F94 HydrophobicContact CB-CG 4.34Å; W92-F94 HydrophobicContact CB-CZ 3.68Å; W92-F94 AromaticContact CD1-CE1 3.82Å; W92-F94 AromaticContact CD1-CZ 3.56Å; W92-F94 AromaticContact CD2-CE2 3.78Å; W92-F94 HydrophobicContact CD2-CE2 3.78Å; W92-F94 AromaticContact CD2-CZ 3.58Å; W92-F94 HydrophobicContact CD2-CZ 3.58Å; W92-F94 AromaticContact CE2-CZ 3.99Å; W92-F94 AromaticContact CE3-CE2 3.91Å; W92-F94 HydrophobicContact CE3-CE2 3.91Å; W92-F94 HydrophobicContact CE3-CZ 4.18Å; W92-F94 AromaticContact CG-CE1 3.81Å; W92-F94 HydrophobicContact CG-CE1 3.81Å; W92-F94 AromaticContact CG-CE2 3.75Å; W92-F94 HydrophobicContact CG-CE2 3.75Å; W92-F94 AromaticContact CG-CZ 3.32Å; W92-F94 HydrophobicContact CG-CZ 3.32Å; W92-F94 AromaticContact NE1-CZ 3.95Å; F94-V96 HydrophobicContact CD2-CG2 4.07Å; F94-V96 HydrophobicContact CE2-CG2 4Å; F94-I105 HydrophobicContact CB-CG2 4.32Å; F94-I105 HydrophobicContact CD2-CG1 4.48Å; F94-I105 HydrophobicContact CD2-CG2 3.68Å; F94-I105 HydrophobicContact CE2-CG1 4.34Å; F94-I105 HydrophobicContact CE2-CG2 4.29Å; F94-I105 HydrophobicContact CG-CG2 4.18Å
95K96.5Very high93.3Very high115 Ų11545.3 Ų45.350%0.525%0.254SS..EExtended strand (participates in β ladder)trans-92.3136-176.3-175.2172.5171.6-149.40110.3L97 Q106K95-L97 HydrophobicContact CD-CD2 4.3Å; K95-L97 VanDerWaalsContact CE-CD2 3.47Å; K95-L97 HydrophobicContact CG-CD2 4.29Å; K95-Q106 HydrophobicContact CB-CB 4.38Å; K95-Q106 PolarHBondContact O-N 2.68Å
96V97.4Very high93.5Very high10 Ų1047.3 Ų47.36%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-113.2130.2172.7-173.40000109L75 F80 M89 W92 F94 P103 K104L75-V96 HydrophobicContact CD1-CG2 4.22Å; F80-V96 HydrophobicContact CD2-CG1 4.18Å; F80-V96 HydrophobicContact CE2-CG1 4.1Å; M89-V96 HydrophobicContact CE-CB 3.89Å; M89-V96 HydrophobicContact CG-CB 4.11Å; M89-V96 HydrophobicContact CG-CG2 4.17Å; M89-V96 HydrophobicContact SD-CB 3.95Å; M89-V96 HydrophobicContact SD-CG1 4.2Å; W92-V96 HydrophobicContact CE3-CG2 4.08Å; W92-V96 HydrophobicContact CZ3-CG2 4.36Å; F94-V96 HydrophobicContact CD2-CG2 4.07Å; F94-V96 HydrophobicContact CE2-CG2 4Å; V96-P103 HydrophobicContact CG1-CB 3.62Å; V96-K104 CarbonylContact C-O 3.51Å; V96-K104 VanDerWaalsContact CA-O 3.29Å; V96-K104 WeakPolarHBondContact CA-O 3.27Å
97L96.4Very high93.6Very high53 Ų5343.8 Ų43.828%0.27725%0.246SC..EExtended strand (participates in β ladder)trans-108.6158.5179-60.7179.3000110.4F80 K95 P103 K104 Q106F80-L97 WeakPolarHBondContact CD2-O 3.47Å; K95-L97 HydrophobicContact CD-CD2 4.3Å; K95-L97 VanDerWaalsContact CE-CD2 3.47Å; K95-L97 HydrophobicContact CG-CD2 4.29Å; L97-P103 CarbonylContact O-C 3.53Å; L97-P103 WeakPolarHBondContact O-CA 3.4Å; L97-K104 PolarHBondContact N-O 2.77Å; L97-K104 PolarHBondContact O-N 2.94Å; L97-Q106 HydrophobicContact CD1-CB 3.86Å; L97-Q106 HydrophobicContact CD1-CG 4.33Å; L97-Q106 HydrophobicContact CG-CB 4.08Å
98S95.1Very high93.8Very high60 Ų6046.1 Ų46.142%0.4225%0.25SS..EExtended strand (participates in β ladder)trans-99.6123.8168.6-172.60000109.6R102S98-R102 WeakPolarHBondContact CA-O 3.35Å
99E90.2Very high93.9Very high94 Ų9445.7 Ų45.744%0.43925%0.248SC..EExtended strand (participates in β ladder)trans-126.2115.5168.7-168.7-177.2-77.600108.4G101 R102 K104E99-G101 PolarHBondContact O-N 3.3Å; E99-G101 VanDerWaalsContact O-N 3.13Å; E99-R102 PolarHBondContact N-O 2.89Å; E99-R102 WeakPolarHBondContact O-CB 3.38Å; E99-R102 PolarHBondContact O-N 3.4Å; E99-K104 HydrophobicContact CB-CD 4.06Å; E99-K104 HydrophobicContact CB-CG 4.38Å; E99-K104 VanDerWaalsContact CD-CE 3.42Å; E99-K104 WeakPolarHBondContact OE1-CE 3.36Å; E99-K104 IonicContact OE1-NZ 2.7Å; E99-K104 PolarHBondContact OE1-NZ 2.61Å; E99-K104 WeakPolarHBondContact OE2-CE 3.31Å; E99-K104 IonicContact OE2-NZ 3.65Å; E99-K104 PolarHBondContact OE2-NZ 2.64Å
100G85.6Confident93.7Very high86 Ų8647.4 Ų47.489%0.88725%0.254SS*.THydrogen-bonded Turntrans58.725.8-175.700000114.1R102G100-R102 VanDerWaalsContact C-N 3.32Å
101G88.3Confident93.5Very high29 Ų2942 Ų4230%0.29925%0.246SC..THydrogen-bonded Turntrans83.9-0.1-176.200000114.9F80 E99F80-G101 WeakPolarHBondContact CB-O 3.34Å; F80-G101 PolarHBondContact N-O 3.35Å; E99-G101 PolarHBondContact O-N 3.3Å; E99-G101 VanDerWaalsContact O-N 3.13Å
102R89.7Confident93.7Very high23 Ų2344.4 Ų44.49%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-99.3146.1176.7-63.2176.470.1-175.91.4111.4S98 E99 G100 F117 E119 G510 R511S98-R102 WeakPolarHBondContact CA-O 3.35Å; E99-R102 PolarHBondContact N-O 2.89Å; E99-R102 WeakPolarHBondContact O-CB 3.38Å; E99-R102 PolarHBondContact O-N 3.4Å; G100-R102 VanDerWaalsContact C-N 3.32Å; R102-F117 HydrophobicContact CB-CE1 3.95Å; R102-E119 IonicContact CZ-OE1 2.91Å; R102-E119 IonicContact NH2-OE1 3.45Å; R102-E119 PolarHBondContact NH2-OE1 3.44Å; R102-E119 IonicContact NH2-OE2 3.93Å; R102-G510 WeakPolarHBondContact CD-O 3.35Å; R102-G510 PolarHBondContact NE-O 2.98Å; R102-R511 PolarHBondContact NH1-O 3.07Å
103P95.4Very high93.8Very high3 Ų349.1 Ų49.12%0.01929%0.285CS..EExtended strand (participates in β ladder)trans-73.6132.9174.830.5-32.2000111L75 R78 F80 V96 L97 P118L75-P103 HydrophobicContact CD2-CB 4.19Å; L75-P103 HydrophobicContact CD2-CG 4.31Å; R78-P103 WeakPolarHBondContact O-CD 3.31Å; F80-P103 HydrophobicContact CD2-CB 4.29Å; V96-P103 HydrophobicContact CG1-CB 3.62Å; L97-P103 CarbonylContact O-C 3.53Å; L97-P103 WeakPolarHBondContact O-CA 3.4Å; P103-P118 HydrophobicContact CG-CG 4.35Å; P103-P118 VanDerWaalsContact O-CD 3.32Å; P103-P118 WeakPolarHBondContact O-CD 3.34Å
104K96.6Very high93.9Very high20 Ų2050.3 Ų50.39%0.08729%0.289CS..EExtended strand (participates in β ladder)trans-120.7135.5165.5-78.2-167.7171.8-178.50110.7V96 L97 E99 A115 F116 F117V96-K104 CarbonylContact C-O 3.51Å; V96-K104 VanDerWaalsContact CA-O 3.29Å; V96-K104 WeakPolarHBondContact CA-O 3.27Å; L97-K104 PolarHBondContact N-O 2.77Å; L97-K104 PolarHBondContact O-N 2.94Å; E99-K104 HydrophobicContact CB-CD 4.06Å; E99-K104 HydrophobicContact CB-CG 4.38Å; E99-K104 VanDerWaalsContact CD-CE 3.42Å; E99-K104 WeakPolarHBondContact OE1-CE 3.36Å; E99-K104 IonicContact OE1-NZ 2.7Å; E99-K104 PolarHBondContact OE1-NZ 2.61Å; E99-K104 WeakPolarHBondContact OE2-CE 3.31Å; E99-K104 IonicContact OE2-NZ 3.65Å; E99-K104 PolarHBondContact OE2-NZ 2.64Å; K104-A115 HydrophobicContact CB-CB 4.22Å; K104-A115 HydrophobicContact CD-CB 3.93Å; K104-F116 CarbonylContact C-O 2.94Å; K104-F116 VanDerWaalsContact CA-O 3.3Å; K104-F116 WeakPolarHBondContact CA-O 3.47Å; K104-F117 HydrophobicContact CD-CE1 4.4Å; K104-F117 HydrophobicContact CD-CE2 4.37Å; K104-F117 HydrophobicContact CD-CZ 4.31Å; K104-F117 VanDerWaalsContact CE-CD2 3.46Å; K104-F117 HydrophobicContact CG-CD1 3.85Å; K104-F117 HydrophobicContact CG-CD2 4.45Å; K104-F117 HydrophobicContact CG-CE1 3.9Å; K104-F117 HydrophobicContact CG-CG 4.17Å; K104-F117 HydrophobicContact CG-CZ 4.31Å
105I98.2Very high93.9Very high0 Ų051.6 Ų51.60%030%0.301CS..EExtended strand (participates in β ladder)trans-84.4117.9174.4-55.894000108.9V69 L75 F94 V107 A115 F116 P118 I121V69-I105 HydrophobicContact CB-CG2 4.5Å; V69-I105 HydrophobicContact CG1-CG1 4.25Å; V69-I105 HydrophobicContact CG1-CG2 4.01Å; V69-I105 HydrophobicContact CG2-CG2 3.63Å; L75-I105 HydrophobicContact CD1-CD1 4.05Å; L75-I105 HydrophobicContact CD1-CG1 4.02Å; F94-I105 HydrophobicContact CB-CG2 4.32Å; F94-I105 HydrophobicContact CD2-CG1 4.48Å; F94-I105 HydrophobicContact CD2-CG2 3.68Å; F94-I105 HydrophobicContact CE2-CG1 4.34Å; F94-I105 HydrophobicContact CE2-CG2 4.29Å; F94-I105 HydrophobicContact CG-CG2 4.18Å; I105-V107 HydrophobicContact CG2-CG1 4.19Å; I105-A115 CarbonylContact O-C 3.59Å; I105-A115 WeakPolarHBondContact O-CA 3.38Å; I105-F116 PolarHBondContact N-O 3.17Å; I105-F116 PolarHBondContact O-N 3.12Å; I105-P118 HydrophobicContact CD1-CB 4.42Å; I105-P118 HydrophobicContact CD1-CG 3.99Å; I105-I121 HydrophobicContact CD1-CG1 4.11Å
106Q97.7Very high93.9Very high41 Ų4146.3 Ų46.319%0.19228%0.278CS..EExtended strand (participates in β ladder)trans-92.4128.2175.7176.917063.500110.5K95 L97 K114K95-Q106 HydrophobicContact CB-CB 4.38Å; K95-Q106 PolarHBondContact O-N 2.68Å; L97-Q106 HydrophobicContact CD1-CB 3.86Å; L97-Q106 HydrophobicContact CD1-CG 4.33Å; L97-Q106 HydrophobicContact CG-CB 4.08Å; Q106-K114 VanDerWaalsContact CA-O 3.3Å; Q106-K114 WeakPolarHBondContact CA-O 3.48Å
107V97.3Very high93.8Very high1 Ų146 Ų461%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-136.5156.8177.5-61.70000110.1F46 N67 V69 I105 K114 F116F46-V107 HydrophobicContact CB-CG2 4.29Å; F46-V107 HydrophobicContact CD1-CG2 4.23Å; F46-V107 HydrophobicContact CD2-CB 3.98Å; F46-V107 HydrophobicContact CD2-CG1 3.89Å; F46-V107 HydrophobicContact CD2-CG2 3.65Å; F46-V107 HydrophobicContact CE2-CG1 4.19Å; F46-V107 HydrophobicContact CE2-CG2 3.96Å; F46-V107 HydrophobicContact CG-CB 4.34Å; F46-V107 HydrophobicContact CG-CG2 3.79Å; F46-V107 HydrophobicContact CZ-CG2 4.37Å; N67-V107 HydrophobicContact CB-CB 4.4Å; V69-V107 HydrophobicContact CG2-CG1 3.8Å; I105-V107 HydrophobicContact CG2-CG1 4.19Å; V107-K114 PolarHBondContact N-O 3.37Å; V107-K114 PolarHBondContact O-N 3.42Å; V107-K114 VanDerWaalsContact O-O 3.12Å; V107-F116 HydrophobicContact CG2-CD2 3.83Å; V107-F116 HydrophobicContact CG2-CE2 3.58Å
108E96.8Very high93.9Very high89 Ų8943.7 Ų43.742%0.41626%0.263SS..EExtended strand (participates in β ladder)trans-91.2124.7166.4-170.7174.4177.500109N67 E112N67-E108 PolarHBondContact OD1-N 3.08Å; E108-E112 WeakPolarHBondContact CA-O 3.29Å
109Y93.6Very high94Very high1 Ų141.1 Ų41.10%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-138122.1178.9-179.8-130000109.1F46 T47 R51 G111 E112 K114 Y527 E530F46-Y109 HydrophobicContact CB-CD2 3.91Å; F46-Y109 HydrophobicContact CB-CG 4.25Å; F46-Y109 HydrophobicContact CD1-CD1 4.37Å; F46-Y109 AromaticContact CD1-CD2 3.94Å; F46-Y109 HydrophobicContact CD1-CD2 3.94Å; F46-Y109 AromaticContact CD1-CG 3.86Å; F46-Y109 HydrophobicContact CD1-CG 3.86Å; F46-Y109 HydrophobicContact CG-CD2 4.44Å; T47-Y109 WeakPolarHBondContact O-CD2 3.43Å; R51-Y109 HydrophobicContact CG-CD2 4.46Å; R51-Y109 HydrophobicContact CG-CE1 4.36Å; R51-Y109 HydrophobicContact CG-CE2 3.76Å; Y109-G111 VanDerWaalsContact C-N 3.27Å; Y109-G111 PolarHBondContact O-N 3.38Å; Y109-E112 PolarHBondContact N-O 2.89Å; Y109-E112 PolarHBondContact O-N 3.4Å; Y109-E112 VanDerWaalsContact O-N 3.1Å; Y109-K114 HydrophobicContact CD1-CD 3.97Å; Y109-Y527 HydrophobicContact CD1-CE1 4.45Å; Y109-Y527 HydrophobicContact CE1-CD1 4.14Å; Y109-Y527 AromaticContact CE1-CE1 3.87Å; Y109-Y527 HydrophobicContact CE1-CE1 3.87Å; Y109-E530 PolarHBondContact OH-OE2 3.05Å
110K89.3Confident94.3Very high87 Ų8737.5 Ų37.538%0.37823%0.228SC..THydrogen-bonded Turntrans54.140.6-176.9-60.1-176.9167.5174.90113.5T47 D48 T49 E112 E530T47-K110 PolarHBondContact O-N 2.89Å; D48-K110 WeakPolarHBondContact O-CG 3.23Å; T49-K110 WeakPolarHBondContact O-CE 3.45Å; K110-E112 PolarHBondContact O-N 3.48Å; K110-E530 IonicContact NZ-OE2 2.73Å; K110-E530 PolarHBondContact NZ-OE2 2.81Å
111G87.3Confident94.9Very high55 Ų5533.6 Ų33.657%0.56719%0.187SC*.THydrogen-bonded Turntrans72.96.2-178.900000115.3Y109Y109-G111 VanDerWaalsContact C-N 3.27Å; Y109-G111 PolarHBondContact O-N 3.38Å
112E92.7Very high95.4Very high123 Ų12332.4 Ų32.458%0.57517%0.174SC*.EExtended strand (participates in β ladder)trans-114.7140.4176.9-65.7-176.3167.300111.5E108 Y109 K110 K114E108-E112 WeakPolarHBondContact CA-O 3.29Å; Y109-E112 PolarHBondContact N-O 2.89Å; Y109-E112 PolarHBondContact O-N 3.4Å; Y109-E112 VanDerWaalsContact O-N 3.1Å; K110-E112 PolarHBondContact O-N 3.48Å; E112-K114 PolarHBondContact O-N 2.97Å
113N95.8Very high95.8Very high121 Ų12131.5 Ų31.565%0.64717%0.171SC*.EExtended strand (participates in β ladder)trans-74.8114.5169.6-77.5-57.1000109.7
114K95Very high96Very high38 Ų3831.8 Ų31.817%0.16517%0.172CC..EExtended strand (participates in β ladder)trans-110.5152.6173.6-62.5-162179.9-176.80110.9Q106 V107 Y109 E112 F116 Y527Q106-K114 VanDerWaalsContact CA-O 3.3Å; Q106-K114 WeakPolarHBondContact CA-O 3.48Å; V107-K114 PolarHBondContact N-O 3.37Å; V107-K114 PolarHBondContact O-N 3.42Å; V107-K114 VanDerWaalsContact O-O 3.12Å; Y109-K114 HydrophobicContact CD1-CD 3.97Å; E112-K114 PolarHBondContact O-N 2.97Å; K114-F116 HydrophobicContact CB-CD2 4.45Å; K114-F116 HydrophobicContact CB-CE2 3.69Å; K114-F116 HydrophobicContact CB-CZ 3.95Å; K114-F116 HydrophobicContact CD-CE2 4.49Å; K114-F116 HydrophobicContact CD-CZ 3.98Å; K114-Y527 PolarHBondContact NZ-OH 2.94Å
115A96Very high96.1Very high35 Ų3531.1 Ų31.129%0.28917%0.17SC..EExtended strand (participates in β ladder)trans-129.9120.7177.800000109.4K104 I105K104-A115 HydrophobicContact CB-CB 4.22Å; K104-A115 HydrophobicContact CD-CB 3.93Å; I105-A115 CarbonylContact O-C 3.59Å; I105-A115 WeakPolarHBondContact O-CA 3.38Å
116F96.9Very high96.1Very high4 Ų431.1 Ų31.12%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-112.9140.8-175.9-63.6-78000110.7F46 K104 I105 V107 K114 E120 I121 M124 Y527F46-F116 HydrophobicContact CD1-CE2 4.2Å; F46-F116 HydrophobicContact CE1-CD2 4.27Å; F46-F116 AromaticContact CE1-CE2 3.53Å; F46-F116 HydrophobicContact CE1-CE2 3.53Å; F46-F116 AromaticContact CE1-CZ 3.78Å; F46-F116 HydrophobicContact CE1-CZ 3.78Å; F46-F116 HydrophobicContact CE2-CD2 4.48Å; F46-F116 HydrophobicContact CE2-CE2 4.4Å; F46-F116 AromaticContact CZ-CD2 3.91Å; F46-F116 HydrophobicContact CZ-CD2 3.91Å; F46-F116 AromaticContact CZ-CE2 3.65Å; F46-F116 HydrophobicContact CZ-CE2 3.65Å; F46-F116 HydrophobicContact CZ-CZ 4.2Å; K104-F116 CarbonylContact C-O 2.94Å; K104-F116 VanDerWaalsContact CA-O 3.3Å; K104-F116 WeakPolarHBondContact CA-O 3.47Å; I105-F116 PolarHBondContact N-O 3.17Å; I105-F116 PolarHBondContact O-N 3.12Å; V107-F116 HydrophobicContact CG2-CD2 3.83Å; V107-F116 HydrophobicContact CG2-CE2 3.58Å; K114-F116 HydrophobicContact CB-CD2 4.45Å; K114-F116 HydrophobicContact CB-CE2 3.69Å; K114-F116 HydrophobicContact CB-CZ 3.95Å; K114-F116 HydrophobicContact CD-CE2 4.49Å; K114-F116 HydrophobicContact CD-CZ 3.98Å; F116-E120 WeakPolarHBondContact CA-OE2 3.48Å; F116-E120 HydrophobicContact CB-CB 4.28Å; F116-E120 HydrophobicContact CD1-CB 4.2Å; F116-I121 HydrophobicContact CB-CD1 3.76Å; F116-I121 HydrophobicContact CB-CG1 4.08Å; F116-I121 HydrophobicContact CD2-CD1 4.22Å; F116-I121 HydrophobicContact CG-CD1 4.07Å; F116-M124 HydrophobicContact CD1-CE 4.03Å; F116-M124 HydrophobicContact CE1-CE 4Å; F116-M124 HydrophobicContact CZ-CE 4.49Å; F116-Y527 HydrophobicContact CE1-CE2 4.02Å; F116-Y527 HydrophobicContact CZ-CE2 4.49Å
117F96.9Very high96.1Very high4 Ų430.5 Ų30.52%0.01817%0.169CC..  trans-70.5153.7165.1-71.9-79.4000110.9R102 K104 E119 E120 I121 L512 M520R102-F117 HydrophobicContact CB-CE1 3.95Å; K104-F117 HydrophobicContact CD-CE1 4.4Å; K104-F117 HydrophobicContact CD-CE2 4.37Å; K104-F117 HydrophobicContact CD-CZ 4.31Å; K104-F117 VanDerWaalsContact CE-CD2 3.46Å; K104-F117 HydrophobicContact CG-CD1 3.85Å; K104-F117 HydrophobicContact CG-CD2 4.45Å; K104-F117 HydrophobicContact CG-CE1 3.9Å; K104-F117 HydrophobicContact CG-CG 4.17Å; K104-F117 HydrophobicContact CG-CZ 4.31Å; F117-E119 WeakPolarHBondContact CB-OE2 3.5Å; F117-E119 PolarHBondContact O-N 3.3Å; F117-E119 VanDerWaalsContact O-N 3.16Å; F117-E120 HydrophobicContact CB-CG 4.47Å; F117-E120 PolarHBondContact N-OE2 2.88Å; F117-E120 WeakPolarHBondContact O-CB 3.42Å; F117-E120 PolarHBondContact O-N 3.38Å; F117-I121 PolarHBondContact O-N 3.35Å; F117-L512 HydrophobicContact CD2-CD2 4Å; F117-L512 HydrophobicContact CE2-CD2 3.9Å; F117-L512 HydrophobicContact CG-CD2 4.38Å; F117-L512 HydrophobicContact CZ-CD2 4.31Å; F117-M520 HydrophobicContact CD2-CE 3.26Å; F117-M520 HydrophobicContact CE2-CE 3.68Å; F117-M520 HydrophobicContact CG-CE 4.24Å
118P97.3Very high96.1Very high3 Ų331.8 Ų31.82%0.01917%0.174CC..Hα-helixtrans-54.8-31175.5-26.534.4000113.9L75 I76 P103 I105 I121 S122L75-P118 HydrophobicContact CB-CB 4.06Å; L75-P118 HydrophobicContact CB-CG 3.64Å; I76-P118 HydrophobicContact CB-CB 4.08Å; I76-P118 HydrophobicContact CG1-CB 4.31Å; P103-P118 HydrophobicContact CG-CG 4.35Å; P103-P118 VanDerWaalsContact O-CD 3.32Å; P103-P118 WeakPolarHBondContact O-CD 3.34Å; I105-P118 HydrophobicContact CD1-CB 4.42Å; I105-P118 HydrophobicContact CD1-CG 3.99Å; P118-I121 PolarHBondContact O-N 3.41Å; P118-S122 WeakPolarHBondContact O-CB 3.22Å; P118-S122 PolarHBondContact O-N 3.31Å; P118-S122 PolarHBondContact O-OG 3.08Å
119E97.2Very high96.2Very high6 Ų627.6 Ų27.63%0.02816%0.155CC..Hα-helixtrans-62.5-40.4175.2-64.588.8151.800111.7I76 R102 F117 S122 S123 A159 A163 I166 L512I76-E119 HydrophobicContact CD1-CG 4.46Å; I76-E119 HydrophobicContact CG1-CG 4.25Å; R102-E119 IonicContact CZ-OE1 2.91Å; R102-E119 IonicContact NH2-OE1 3.45Å; R102-E119 PolarHBondContact NH2-OE1 3.44Å; R102-E119 IonicContact NH2-OE2 3.93Å; F117-E119 WeakPolarHBondContact CB-OE2 3.5Å; F117-E119 PolarHBondContact O-N 3.3Å; F117-E119 VanDerWaalsContact O-N 3.16Å; E119-S122 PolarHBondContact O-N 2.88Å; E119-S123 WeakPolarHBondContact O-CB 3.4Å; E119-S123 PolarHBondContact O-N 3.48Å; E119-A159 HydrophobicContact CG-CB 3.79Å; E119-A159 WeakPolarHBondContact CG-O 3.24Å; E119-A159 WeakPolarHBondContact OE1-CB 3.26Å; E119-A163 HydrophobicContact CB-CB 4.35Å; E119-A163 VanDerWaalsContact O-CB 3.31Å; E119-A163 WeakPolarHBondContact O-CB 3.45Å; E119-I166 HydrophobicContact CB-CD1 4.14Å; E119-L512 HydrophobicContact CB-CD1 4.11Å; E119-L512 HydrophobicContact CG-CD1 4.18Å
120E97.4Very high96.4Very high18 Ų1828.7 Ų28.78%0.08416%0.159CC..Hα-helixtrans-70-39176.7-63173.688.100111.4F116 F117 S123 M124 M520F116-E120 WeakPolarHBondContact CA-OE2 3.48Å; F116-E120 HydrophobicContact CB-CB 4.28Å; F116-E120 HydrophobicContact CD1-CB 4.2Å; F117-E120 HydrophobicContact CB-CG 4.47Å; F117-E120 PolarHBondContact N-OE2 2.88Å; F117-E120 WeakPolarHBondContact O-CB 3.42Å; F117-E120 PolarHBondContact O-N 3.38Å; E120-S123 PolarHBondContact O-N 3.34Å; E120-S123 PolarHBondContact O-OG 2.91Å; E120-M124 VanDerWaalsContact O-CG 3.31Å; E120-M124 WeakPolarHBondContact O-CG 3.49Å; E120-M124 PolarHBondContact O-N 3.27Å; E120-M520 HydrophobicContact CG-CB 4.5Å; E120-M520 HydrophobicContact CG-CE 4.07Å; E120-M520 HydrophobicContact CG-CG 3.95Å; E120-M520 HydrophobicContact CG-SD 3.62Å
121I98.4Very high96.7Very high4 Ų426.4 Ų26.42%0.02115%0.15CC..Hα-helixtrans-66.4-42.7175.2-59.3-57.5000110.8V44 F46 V69 A72 I105 F116 F117 P118 S123 M124 V125V44-I121 HydrophobicContact CB-CG2 4.3Å; V44-I121 HydrophobicContact CG2-CG2 3.97Å; F46-I121 HydrophobicContact CE2-CD1 3.97Å; F46-I121 HydrophobicContact CZ-CD1 3.81Å; V69-I121 HydrophobicContact CB-CG2 4.24Å; V69-I121 HydrophobicContact CG1-CG1 4.31Å; V69-I121 HydrophobicContact CG1-CG2 3.87Å; V69-I121 HydrophobicContact CG2-CD1 4.43Å; A72-I121 HydrophobicContact CB-CB 4.12Å; A72-I121 HydrophobicContact CB-CG2 3.72Å; I105-I121 HydrophobicContact CD1-CG1 4.11Å; F116-I121 HydrophobicContact CB-CD1 3.76Å; F116-I121 HydrophobicContact CB-CG1 4.08Å; F116-I121 HydrophobicContact CD2-CD1 4.22Å; F116-I121 HydrophobicContact CG-CD1 4.07Å; F117-I121 PolarHBondContact O-N 3.35Å; P118-I121 PolarHBondContact O-N 3.41Å; I121-S123 VanDerWaalsContact C-N 3.33Å; I121-M124 HydrophobicContact CD1-CE 4.32Å; I121-M124 HydrophobicContact CD1-SD 4.47Å; I121-M124 WeakPolarHBondContact O-CB 3.37Å; I121-M124 PolarHBondContact O-N 3.27Å; I121-V125 PolarHBondContact O-N 3.02Å
122S98.4Very high97.2Very high5 Ų524.3 Ų24.34%0.03513%0.126CC..Hα-helixtrans-67.9-34.9178.7-57.40000111.6P118 E119 M124 V125 L126P118-S122 WeakPolarHBondContact O-CB 3.22Å; P118-S122 PolarHBondContact O-N 3.31Å; P118-S122 PolarHBondContact O-OG 3.08Å; E119-S122 PolarHBondContact O-N 2.88Å; S122-M124 VanDerWaalsContact C-N 3.31Å; S122-M124 PolarHBondContact O-N 3.35Å; S122-V125 PolarHBondContact O-N 2.97Å; S122-L126 WeakPolarHBondContact O-CG 3.44Å; S122-L126 PolarHBondContact O-N 3.12Å
123S98.3Very high97.5Very high4 Ų418.5 Ų18.53%0.02810%0.099CC..Hα-helixtrans-63.8-36.117578.30000111.8E119 E120 I121 V125 L126 V127 A163 I166E119-S123 WeakPolarHBondContact O-CB 3.4Å; E119-S123 PolarHBondContact O-N 3.48Å; E120-S123 PolarHBondContact O-N 3.34Å; E120-S123 PolarHBondContact O-OG 2.91Å; I121-S123 VanDerWaalsContact C-N 3.33Å; S123-V125 VanDerWaalsContact C-N 3.33Å; S123-V125 PolarHBondContact O-N 3.05Å; S123-L126 CarbonylContact O-C 3.53Å; S123-L126 PolarHBondContact O-N 2.91Å; S123-V127 WeakPolarHBondContact O-CG2 3.48Å; S123-V127 PolarHBondContact O-N 3.13Å; S123-A163 WeakPolarHBondContact CB-O 3.31Å; S123-I166 VanDerWaalsContact OG-CG2 3.27Å; S123-I166 WeakPolarHBondContact OG-CG2 3.21Å
124M98.3Very high97.5Very high8 Ų814.2 Ų14.24%0.0398%0.075CC..Hα-helixtrans-61.2-41.4173.9-65.1173.8-153.500111.5V44 F46 R51 I53 F116 E120 I121 S122 V127 K128V44-M124 HydrophobicContact CG1-CB 4.48Å; V44-M124 HydrophobicContact CG1-SD 3.66Å; V44-M124 HydrophobicContact CG2-CB 4.01Å; F46-M124 HydrophobicContact CE1-CE 4.24Å; F46-M124 HydrophobicContact CE1-SD 4.19Å; F46-M124 HydrophobicContact CZ-CE 4.02Å; F46-M124 HydrophobicContact CZ-SD 3.85Å; R51-M124 PolarHBondContact NH1-SD 3Å; R51-M124 VanDerWaalsContact NH1-SD 3.39Å; I53-M124 HydrophobicContact CD1-CB 4.01Å; F116-M124 HydrophobicContact CD1-CE 4.03Å; F116-M124 HydrophobicContact CE1-CE 4Å; F116-M124 HydrophobicContact CZ-CE 4.49Å; E120-M124 VanDerWaalsContact O-CG 3.31Å; E120-M124 WeakPolarHBondContact O-CG 3.49Å; E120-M124 PolarHBondContact O-N 3.27Å; I121-M124 HydrophobicContact CD1-CE 4.32Å; I121-M124 HydrophobicContact CD1-SD 4.47Å; I121-M124 WeakPolarHBondContact O-CB 3.37Å; I121-M124 PolarHBondContact O-N 3.27Å; S122-M124 VanDerWaalsContact C-N 3.31Å; S122-M124 PolarHBondContact O-N 3.35Å; M124-V127 PolarHBondContact O-N 2.76Å; M124-K128 PolarHBondContact O-N 3.37Å; M124-K128 VanDerWaalsContact O-N 3.08Å
125V98.6Very high97.5Very high6 Ų616.5 Ų16.54%0.03610%0.101CC..Hα-helixtrans-65-42.3174.5-178.60000110.8L13 S18 V44 I121 S122 S123 V127 K128 M129L13-V125 HydrophobicContact CD1-CB 4.19Å; L13-V125 HydrophobicContact CD1-CG1 3.91Å; S18-V125 WeakPolarHBondContact OG-CG1 3.12Å; V44-V125 HydrophobicContact CG2-CG2 3.94Å; I121-V125 PolarHBondContact O-N 3.02Å; S122-V125 PolarHBondContact O-N 2.97Å; S123-V125 VanDerWaalsContact C-N 3.33Å; S123-V125 PolarHBondContact O-N 3.05Å; V125-V127 VanDerWaalsContact C-N 3.34Å; V125-V127 PolarHBondContact O-N 3.3Å; V125-K128 WeakPolarHBondContact O-CB 3.45Å; V125-K128 PolarHBondContact O-N 3.35Å; V125-M129 WeakPolarHBondContact O-CG 3.34Å; V125-M129 PolarHBondContact O-N 3.38Å
126L98.6Very high97.5Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-63.5-37.4175.8-68.9174.8000112.5I11 L13 S122 S123 K128 M129 K130 V146 A163 A167 L169I11-L126 HydrophobicContact CB-CD2 4.46Å; I11-L126 HydrophobicContact CD1-CD2 4.08Å; I11-L126 HydrophobicContact CG2-CD2 3.78Å; L13-L126 HydrophobicContact CB-CD2 4.25Å; L13-L126 HydrophobicContact CD1-CD2 4.15Å; L13-L126 HydrophobicContact CD1-CG 4.34Å; L13-L126 HydrophobicContact CD2-CD1 4.3Å; L13-L126 HydrophobicContact CD2-CD2 4.14Å; L13-L126 HydrophobicContact CD2-CG 4.23Å; L13-L126 HydrophobicContact CG-CD2 4.4Å; S122-L126 WeakPolarHBondContact O-CG 3.44Å; S122-L126 PolarHBondContact O-N 3.12Å; S123-L126 CarbonylContact O-C 3.53Å; S123-L126 PolarHBondContact O-N 2.91Å; L126-K128 VanDerWaalsContact C-N 3.34Å; L126-M129 PolarHBondContact O-N 3.34Å; L126-K130 WeakPolarHBondContact O-CB 3.45Å; L126-K130 PolarHBondContact O-N 3.3Å; L126-V146 HydrophobicContact CD2-CG1 4.24Å; L126-V146 HydrophobicContact CD2-CG2 4.49Å; L126-A163 HydrophobicContact CD1-CB 4.12Å; L126-A167 HydrophobicContact CB-CB 3.72Å; L126-L169 HydrophobicContact CB-CD1 4.43Å
127V97.4Very high97.4Very high28 Ų2821.1 Ų21.117%0.1711%0.113CC..Hα-helixtrans-59.5-46.4172168.50000109.9S123 M124 V125 M129 K130 E131 A167S123-V127 WeakPolarHBondContact O-CG2 3.48Å; S123-V127 PolarHBondContact O-N 3.13Å; M124-V127 PolarHBondContact O-N 2.76Å; V125-V127 VanDerWaalsContact C-N 3.34Å; V125-V127 PolarHBondContact O-N 3.3Å; V127-M129 VanDerWaalsContact C-N 3.31Å; V127-M129 PolarHBondContact O-N 2.96Å; V127-K130 WeakPolarHBondContact O-CB 3.39Å; V127-K130 PolarHBondContact O-N 3.26Å; V127-E131 HydrophobicContact CG1-CG 4.32Å; V127-E131 WeakPolarHBondContact O-CG 3.43Å; V127-E131 PolarHBondContact O-N 2.92Å; V127-A167 HydrophobicContact CG2-CB 3.79Å
128K97.8Very high97.3Very high29 Ų2924.3 Ų24.313%0.12615%0.147CC..Hα-helixtrans-60.6-39.7176.3-176.461.7176.3-178.20112D34 T40 I53 M124 V125 L126 E131 I132D34-K128 IonicContact OD1-NZ 2.7Å; D34-K128 IonicContact OD2-NZ 3.48Å; D34-K128 PolarHBondContact OD2-NZ 3.45Å; T40-K128 HydrophobicContact CG2-CG 4.35Å; I53-K128 HydrophobicContact CB-CB 4.3Å; I53-K128 HydrophobicContact CB-CG 4.5Å; I53-K128 HydrophobicContact CG2-CB 3.64Å; I53-K128 HydrophobicContact CG2-CG 4.06Å; M124-K128 PolarHBondContact O-N 3.37Å; M124-K128 VanDerWaalsContact O-N 3.08Å; V125-K128 WeakPolarHBondContact O-CB 3.45Å; V125-K128 PolarHBondContact O-N 3.35Å; L126-K128 VanDerWaalsContact C-N 3.34Å; K128-E131 PolarHBondContact O-N 3.07Å; K128-I132 HydrophobicContact CD-CD1 4.46Å; K128-I132 HydrophobicContact CG-CD1 4.1Å; K128-I132 WeakPolarHBondContact O-CD1 3.34Å; K128-I132 VanDerWaalsContact O-CG1 3.23Å; K128-I132 WeakPolarHBondContact O-CG1 3.41Å; K128-I132 PolarHBondContact O-N 3.29Å
129M98.6Very high97.1Very high1 Ų128.3 Ų28.31%0.00517%0.165CC..Hα-helixtrans-65.9-41177.4-66.2-53.697.800111.5I11 V20 T40 V125 L126 V127 I132 A133I11-M129 HydrophobicContact CD1-CB 4.1Å; I11-M129 HydrophobicContact CG1-CB 4.33Å; I11-M129 HydrophobicContact CG2-CB 4.02Å; I11-M129 HydrophobicContact CG2-CG 3.86Å; V20-M129 HydrophobicContact CB-CB 4.26Å; V20-M129 HydrophobicContact CB-SD 4.35Å; V20-M129 HydrophobicContact CG1-SD 4.33Å; T40-M129 HydrophobicContact CG2-CE 3.64Å; V125-M129 WeakPolarHBondContact O-CG 3.34Å; V125-M129 PolarHBondContact O-N 3.38Å; L126-M129 PolarHBondContact O-N 3.34Å; V127-M129 VanDerWaalsContact C-N 3.31Å; V127-M129 PolarHBondContact O-N 2.96Å; M129-I132 HydrophobicContact CE-CD1 3.55Å; M129-I132 PolarHBondContact O-N 3.27Å; M129-I132 HydrophobicContact SD-CD1 4.33Å; M129-A133 PolarHBondContact O-N 3.41Å; M129-A133 VanDerWaalsContact O-N 3.1Å
130K97.6Very high96.9Very high23 Ų2336.1 Ų36.110%0.120%0.199CC..Hα-helixtrans-60.4-48.5172.4171.6-179.9174.2159.60111.3L126 V127 I132 A133 E134 V141 G168 L169L126-K130 WeakPolarHBondContact O-CB 3.45Å; L126-K130 PolarHBondContact O-N 3.3Å; V127-K130 WeakPolarHBondContact O-CB 3.39Å; V127-K130 PolarHBondContact O-N 3.26Å; K130-I132 VanDerWaalsContact C-N 3.32Å; K130-I132 PolarHBondContact O-N 3.28Å; K130-A133 PolarHBondContact O-N 2.79Å; K130-E134 WeakPolarHBondContact CE-OE1 3.34Å; K130-E134 HydrophobicContact CG-CG 4.18Å; K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 VanDerWaalsContact O-CG 3.31Å; K130-E134 WeakPolarHBondContact O-CG 3.45Å; K130-E134 PolarHBondContact O-N 3.12Å; K130-V141 WeakPolarHBondContact CE-O 3.12Å; K130-V141 PolarHBondContact NZ-O 3.39Å; K130-G168 PolarHBondContact NZ-O 3.23Å; K130-L169 HydrophobicContact CB-CD2 4.43Å; K130-L169 HydrophobicContact CD-CD2 3.84Å; K130-L169 HydrophobicContact CD-CG 4.27Å; K130-L169 HydrophobicContact CG-CD2 4.29Å
131E96Very high96.8Very high40 Ų4035.4 Ų35.419%0.18720%0.196CC..Hα-helixtrans-59.6-41178.6-73.2-175.5143.500112.3V127 K128 E134 A135 R535V127-E131 HydrophobicContact CG1-CG 4.32Å; V127-E131 WeakPolarHBondContact O-CG 3.43Å; V127-E131 PolarHBondContact O-N 2.92Å; K128-E131 PolarHBondContact O-N 3.07Å; E131-E134 PolarHBondContact O-N 3.13Å; E131-A135 WeakPolarHBondContact O-CB 3.31Å; E131-A135 PolarHBondContact O-N 3.43Å; E131-R535 IonicContact OE1-CZ 3.36Å; E131-R535 IonicContact OE1-NH2 2.73Å; E131-R535 PolarHBondContact OE1-NH2 3.1Å; E131-R535 IonicContact OE2-NH2 3.41Å
132I98.1Very high96.6Very high11 Ų1138.5 Ų38.56%0.05622%0.218CC..Hα-helixtrans-60.1-47.2175.4-70.1160.9000110.4V20 V31 N33 K128 M129 K130 A135 Y136V20-I132 HydrophobicContact CG1-CB 4.26Å; V20-I132 HydrophobicContact CG1-CG2 3.82Å; V31-I132 HydrophobicContact CB-CG2 4.12Å; V31-I132 HydrophobicContact CG1-CG2 3.58Å; N33-I132 HydrophobicContact CB-CD1 3.52Å; N33-I132 HydrophobicContact CB-CG1 3.93Å; K128-I132 HydrophobicContact CD-CD1 4.46Å; K128-I132 HydrophobicContact CG-CD1 4.1Å; K128-I132 WeakPolarHBondContact O-CD1 3.34Å; K128-I132 VanDerWaalsContact O-CG1 3.23Å; K128-I132 WeakPolarHBondContact O-CG1 3.41Å; K128-I132 PolarHBondContact O-N 3.29Å; M129-I132 HydrophobicContact CE-CD1 3.55Å; M129-I132 PolarHBondContact O-N 3.27Å; M129-I132 HydrophobicContact SD-CD1 4.33Å; K130-I132 VanDerWaalsContact C-N 3.32Å; K130-I132 PolarHBondContact O-N 3.28Å; I132-A135 PolarHBondContact O-N 2.86Å; I132-Y136 PolarHBondContact O-N 3.33Å; I132-Y136 VanDerWaalsContact O-N 3.13Å
133A97.8Very high96.6Very high0 Ų039.3 Ų39.30%022%0.222CC..Hα-helixtrans-65.8-42.4176.900000112.3I9 V20 V22 M129 K130 A135 Y136 L137I9-A133 HydrophobicContact CD1-CB 3.92Å; I9-A133 HydrophobicContact CG2-CB 3.99Å; V20-A133 HydrophobicContact CG2-CB 4.09Å; V22-A133 HydrophobicContact CG1-CB 4.37Å; M129-A133 PolarHBondContact O-N 3.41Å; M129-A133 VanDerWaalsContact O-N 3.1Å; K130-A133 PolarHBondContact O-N 2.79Å; A133-A135 VanDerWaalsContact C-N 3.35Å; A133-A135 PolarHBondContact O-N 2.9Å; A133-Y136 PolarHBondContact O-N 2.89Å; A133-L137 HydrophobicContact CB-CD1 4.38Å; A133-L137 VanDerWaalsContact O-CB 3.3Å; A133-L137 WeakPolarHBondContact O-CB 3.34Å; A133-L137 WeakPolarHBondContact O-CD1 3.47Å; A133-L137 WeakPolarHBondContact O-CG 3.35Å; A133-L137 PolarHBondContact O-N 2.94Å
134E96.3Very high96.6Very high31 Ų3139.1 Ų39.115%0.14522%0.221CC..Hα-helixtrans-61.9-41.4177.7-72.4-177.3155.500111.9K130 E131 Y136 L137 G138 H139 K140 V141K130-E134 WeakPolarHBondContact CE-OE1 3.34Å; K130-E134 HydrophobicContact CG-CG 4.18Å; K130-E134 WeakPolarHBondContact O-CB 3.39Å; K130-E134 VanDerWaalsContact O-CG 3.31Å; K130-E134 WeakPolarHBondContact O-CG 3.45Å; K130-E134 PolarHBondContact O-N 3.12Å; E131-E134 PolarHBondContact O-N 3.13Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 3.3Å; E134-L137 PolarHBondContact O-N 2.87Å; E134-G138 WeakPolarHBondContact O-CA 3.5Å; E134-G138 PolarHBondContact O-N 3.14Å; E134-H139 WeakPolarHBondContact CA-O 3.48Å; E134-K140 VanDerWaalsContact OE1-CA 3.28Å; E134-K140 WeakPolarHBondContact OE1-CA 3.26Å; E134-V141 HydrophobicContact CG-CB 4.02Å; E134-V141 HydrophobicContact CG-CG2 3.93Å; E134-V141 PolarHBondContact OE1-N 2.69Å
135A95.8Very high96.6Very high86 Ų8638.7 Ų38.771%0.71122%0.219SC*.Hα-helixtrans-62.6-39.7175.500000112E131 I132 A133E131-A135 WeakPolarHBondContact O-CB 3.31Å; E131-A135 PolarHBondContact O-N 3.43Å; I132-A135 PolarHBondContact O-N 2.86Å; A133-A135 VanDerWaalsContact C-N 3.35Å; A133-A135 PolarHBondContact O-N 2.9Å
136Y96.4Very high96.5Very high110 Ų11038.5 Ų38.543%0.43122%0.217SC..Hα-helixtrans-70.2-43.1176.7-176.6-102.5000113V22 E29 V31 I132 A133 E134V22-Y136 HydrophobicContact CG2-CD1 4.04Å; V22-Y136 HydrophobicContact CG2-CE1 3.86Å; E29-Y136 VanDerWaalsContact CD-OH 3.28Å; E29-Y136 WeakPolarHBondContact OE2-CE1 3.37Å; E29-Y136 PolarHBondContact OE2-OH 3.14Å; V31-Y136 VanDerWaalsContact CG1-CB 3.48Å; V31-Y136 HydrophobicContact CG1-CD1 4.39Å; V31-Y136 HydrophobicContact CG1-CD2 3.94Å; V31-Y136 HydrophobicContact CG1-CG 3.68Å; V31-Y136 HydrophobicContact CG2-CD1 3.91Å; V31-Y136 HydrophobicContact CG2-CE1 4.41Å; V31-Y136 HydrophobicContact CG2-CG 4.06Å; I132-Y136 PolarHBondContact O-N 3.33Å; I132-Y136 VanDerWaalsContact O-N 3.13Å; A133-Y136 PolarHBondContact O-N 2.89Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 3.3Å
137L94.9Very high96.5Very high26 Ų2638.5 Ų38.514%0.13622%0.217CC..Hα-helixtrans-80.5-21.1-175.4-63.2169.5000113V7 I9 V22 A133 E134 H139 V141V7-L137 HydrophobicContact CG1-CD1 4.05Å; I9-L137 HydrophobicContact CG2-CD1 4.27Å; V22-L137 HydrophobicContact CB-CD2 4.39Å; V22-L137 HydrophobicContact CG1-CD1 4.19Å; V22-L137 HydrophobicContact CG1-CD2 4.29Å; V22-L137 HydrophobicContact CG1-CG 4.44Å; V22-L137 HydrophobicContact CG2-CD2 4.36Å; A133-L137 HydrophobicContact CB-CD1 4.38Å; A133-L137 VanDerWaalsContact O-CB 3.3Å; A133-L137 WeakPolarHBondContact O-CB 3.34Å; A133-L137 WeakPolarHBondContact O-CD1 3.47Å; A133-L137 WeakPolarHBondContact O-CG 3.35Å; A133-L137 PolarHBondContact O-N 2.94Å; E134-L137 PolarHBondContact O-N 2.87Å; L137-H139 VanDerWaalsContact C-N 3.29Å; L137-H139 PolarHBondContact O-N 2.7Å; L137-V141 HydrophobicContact CD1-CG2 3.52Å
138G94.6Very high96.4Very high71 Ų7137.1 Ų37.173%0.73221%0.209SC*.THydrogen-bonded Turntrans75.112.3-177.300000114.6E134E134-G138 WeakPolarHBondContact O-CA 3.5Å; E134-G138 PolarHBondContact O-N 3.14Å
139H93.5Very high96.2Very high87 Ų8735.8 Ų35.840%0.40320%0.203SC..SBendtrans-151.4164.4179.366.216.4000111.9E134 L137E134-H139 WeakPolarHBondContact CA-O 3.48Å; L137-H139 VanDerWaalsContact C-N 3.29Å; L137-H139 PolarHBondContact O-N 2.7Å
140K93.1Very high95.6Very high171 Ų17135.7 Ų35.774%0.74320%0.203SC*.  trans-67.1144.3179.6-68-170.4176.4-176.90112.9E134E134-K140 VanDerWaalsContact OE1-CA 3.28Å; E134-K140 WeakPolarHBondContact OE1-CA 3.26Å
141V94.6Very high95Very high2 Ų236.7 Ų36.71%0.01221%0.206CC..  trans-116.6130.1177.5175.90000109.9I9 K130 E134 L137I9-V141 HydrophobicContact CB-CG1 4.46Å; I9-V141 HydrophobicContact CD1-CG1 3.89Å; I9-V141 HydrophobicContact CG1-CG1 3.89Å; I9-V141 HydrophobicContact CG2-CG1 3.81Å; I9-V141 HydrophobicContact CG2-CG2 4.25Å; K130-V141 WeakPolarHBondContact CE-O 3.12Å; K130-V141 PolarHBondContact NZ-O 3.39Å; E134-V141 HydrophobicContact CG-CB 4.02Å; E134-V141 HydrophobicContact CG-CG2 3.93Å; E134-V141 PolarHBondContact OE1-N 2.69Å; L137-V141 HydrophobicContact CD1-CG2 3.52Å
142S94.6Very high94.5Very high69 Ų6934.8 Ų34.848%0.48320%0.198SC..  trans-119.7-14-178.1-52.60000113.7N170S142-N170 WeakPolarHBondContact O-CB 3.45Å; S142-N170 PolarHBondContact O-N 3.01Å
143N97.1Very high93.7Very high22 Ų2235.5 Ų35.512%0.11820%0.202CC..EExtended strand (participates in β ladder)trans-119141.4-175-60-66.1000110.5A8 I9 N170 L172A8-N143 VanDerWaalsContact CA-O 3.31Å; A8-N143 WeakPolarHBondContact CA-O 3.41Å; A8-N143 HydrophobicContact CB-CB 3.75Å; I9-N143 PolarHBondContact N-O 2.79Å; I9-N143 VanDerWaalsContact N-O 3.14Å; N143-N170 WeakPolarHBondContact CA-O 3.49Å; N143-N170 WeakPolarHBondContact OD1-CB 3.39Å; N143-N170 PolarHBondContact OD1-ND2 3.4Å; N143-L172 HydrophobicContact CB-CD1 3.92Å; N143-L172 HydrophobicContact CB-CD2 4.37Å; N143-L172 HydrophobicContact CB-CG 4.05Å
144A98.1Very high92.9Very high0 Ų036.2 Ų36.20%021%0.205CC..EExtended strand (participates in β ladder)trans-145.6153.8176.600000112.7I9 I11 V146 L169 N170 V171 L172I9-A144 HydrophobicContact CG1-CB 3.98Å; I9-A144 CarbonylContact O-C 3.37Å; I9-A144 VanDerWaalsContact O-CA 3.24Å; I9-A144 WeakPolarHBondContact O-CA 3.38Å; I11-A144 HydrophobicContact CD1-CB 4.17Å; A144-V146 HydrophobicContact CB-CG2 4.24Å; A144-L169 HydrophobicContact CB-CB 4.38Å; A144-L169 HydrophobicContact CB-CD1 4.04Å; A144-L169 HydrophobicContact CB-CD2 4.16Å; A144-L169 HydrophobicContact CB-CG 4.44Å; A144-N170 PolarHBondContact N-O 2.84Å; A144-V171 CarbonylContact O-C 3.49Å; A144-V171 WeakPolarHBondContact O-CA 3.45Å; A144-L172 PolarHBondContact O-N 3.47Å
145V98.3Very high92.3Very high0 Ų035.6 Ų35.60%021%0.205CC..EExtended strand (participates in β ladder)trans-104.4127.8157.81750000106.8I9 I11 R173 I175 A375 Q378 A379 L382I9-V145 PolarHBondContact O-N 2.53Å; I11-V145 PolarHBondContact N-O 3.15Å; V145-R173 WeakPolarHBondContact CA-O 3.37Å; V145-R173 HydrophobicContact CG1-CB 4.28Å; V145-R173 HydrophobicContact CG2-CB 4.12Å; V145-I175 HydrophobicContact CG1-CB 4.06Å; V145-I175 HydrophobicContact CG1-CG2 3.6Å; V145-A375 HydrophobicContact CG1-CB 4.26Å; V145-Q378 HydrophobicContact CG1-CB 4.3Å; V145-Q378 HydrophobicContact CG1-CG 4.22Å; V145-Q378 HydrophobicContact CG2-CG 4.28Å; V145-A379 HydrophobicContact CB-CB 4.24Å; V145-A379 HydrophobicContact CG2-CB 3.77Å; V145-L382 HydrophobicContact CG2-CD1 3.86Å
146V98.3Very high92Very high1 Ų131.7 Ų31.71%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-118.1136.9-176.8-176.30000109.3I11 L13 L126 A144 T160 V171 R173 I174 I175I11-V146 WeakPolarHBondContact O-CA 3.49Å; L13-V146 HydrophobicContact CB-CG1 4.13Å; L126-V146 HydrophobicContact CD2-CG1 4.24Å; L126-V146 HydrophobicContact CD2-CG2 4.49Å; A144-V146 HydrophobicContact CB-CG2 4.24Å; V146-T160 HydrophobicContact CG1-CG2 4.01Å; V146-V171 HydrophobicContact CG2-CG1 4.38Å; V146-V171 HydrophobicContact CG2-CG2 4.4Å; V146-R173 PolarHBondContact N-O 3.37Å; V146-I174 HydrophobicContact CB-CD1 4.16Å; V146-I174 WeakPolarHBondContact O-CA 3.28Å; V146-I175 PolarHBondContact O-N 3.13Å; V146-I175 VanDerWaalsContact O-N 3.09Å
147T97.9Very high91.6Very high0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans-85.8152.6-177.867.10000112.9I11 D12 L13 I175 V371 A375I11-T147 WeakPolarHBondContact O-CG2 3.44Å; I11-T147 PolarHBondContact O-N 2.93Å; D12-T147 VanDerWaalsContact CA-OG1 3.28Å; D12-T147 WeakPolarHBondContact CA-OG1 3.28Å; D12-T147 PolarHBondContact OD1-OG1 3.35Å; L13-T147 PolarHBondContact N-OG1 3.36Å; T147-I175 CarbonylContact C-O 3.59Å; T147-I175 VanDerWaalsContact CA-O 3.26Å; T147-I175 WeakPolarHBondContact CA-O 3.48Å; T147-I175 HydrophobicContact CG2-CG2 3.73Å; T147-V371 HydrophobicContact CG2-CG1 3.43Å; T147-V371 VanDerWaalsContact CG2-CG1 3.43Å; T147-A375 HydrophobicContact CG2-CB 3.81Å
148V94.9Very high91.2Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-141.3154.6169.3-66.20000110.3F152 R157 T160 I174 I175 N176 E177V148-F152 HydrophobicContact CB-CB 4.47Å; V148-F152 HydrophobicContact CB-CD2 3.78Å; V148-F152 HydrophobicContact CB-CE2 4.4Å; V148-F152 HydrophobicContact CB-CG 4.32Å; V148-F152 HydrophobicContact CG1-CD2 3.96Å; V148-F152 HydrophobicContact CG1-CE2 4.37Å; V148-R157 HydrophobicContact CG2-CG 4.3Å; V148-T160 HydrophobicContact CG1-CG2 3.77Å; V148-I174 HydrophobicContact CB-CG2 4.13Å; V148-I174 HydrophobicContact CG1-CG2 3.71Å; V148-I174 HydrophobicContact CG2-CG2 3.3Å; V148-I175 PolarHBondContact N-O 3.2Å; V148-N176 CarbonylContact O-C 3.56Å; V148-N176 VanDerWaalsContact O-CA 3.31Å; V148-N176 WeakPolarHBondContact O-CA 3.44Å; V148-E177 VanDerWaalsContact C-OE1 3.25Å; V148-E177 WeakPolarHBondContact O-CG 3.42Å; V148-E177 PolarHBondContact O-N 3.39Å
149P92.9Very high91.1Very high0 Ų024 Ų240%012%0.119CC..  trans-55.8142.3170.7-28.638.9000111Y151 F152 E177 T206 D208P149-Y151 PolarHBondContact O-N 3.18Å; P149-F152 HydrophobicContact CB-CD1 3.58Å; P149-F152 HydrophobicContact CB-CE1 3.93Å; P149-F152 HydrophobicContact CB-CG 4.17Å; P149-F152 HydrophobicContact CG-CD1 3.58Å; P149-F152 HydrophobicContact CG-CE1 3.41Å; P149-F152 VanDerWaalsContact CG-CE1 3.41Å; P149-F152 HydrophobicContact CG-CE2 4.42Å; P149-F152 HydrophobicContact CG-CG 4.19Å; P149-F152 HydrophobicContact CG-CZ 3.88Å; P149-F152 WeakPolarHBondContact O-CB 3.26Å; P149-F152 PolarHBondContact O-N 2.85Å; P149-E177 WeakPolarHBondContact CD-OE1 3.49Å; P149-E177 VanDerWaalsContact N-OE1 3.16Å; P149-T206 HydrophobicContact CB-CG2 4.4Å; P149-T206 HydrophobicContact CG-CG2 3.82Å; P149-D208 WeakPolarHBondContact CA-OD2 3.38Å; P149-D208 WeakPolarHBondContact CB-OD2 3.27Å
150A87.6Confident91.2Very high0 Ų019.9 Ų19.90%010%0.101CC..THydrogen-bonded Turntrans-61-35.2-177.500000111.6F152 R157 N176 P178 D208 T224 P400A150-F152 VanDerWaalsContact C-N 3.29Å; A150-F152 PolarHBondContact O-N 3.18Å; A150-R157 PolarHBondContact O-NH2 3.36Å; A150-N176 HydrophobicContact CB-CB 4.18Å; A150-P178 HydrophobicContact CB-CG 3.6Å; A150-D208 HydrophobicContact CB-CB 4.39Å; A150-D208 PolarHBondContact N-OD1 3.09Å; A150-D208 PolarHBondContact N-OD2 3.41Å; A150-T224 HydrophobicContact CB-CG2 4.45Å; A150-T224 WeakPolarHBondContact CB-OG1 3.23Å; A150-P400 WeakPolarHBondContact O-CB 3.02Å
151Y84.3Confident91.2Very high43 Ų4314.3 Ų14.317%0.1698%0.076CC..THydrogen-bonded Turntrans-85.39.3179.5-142.1-111.5000114.6P149 N153 D208 T228 K321 P400 L401P149-Y151 PolarHBondContact O-N 3.18Å; Y151-N153 PolarHBondContact O-N 3.03Å; Y151-D208 PolarHBondContact N-OD1 2.95Å; Y151-D208 VanDerWaalsContact N-OD1 3.16Å; Y151-T228 HydrophobicContact CD1-CG2 4.35Å; Y151-T228 WeakPolarHBondContact O-CG2 3.18Å; Y151-K321 PolarHBondContact OH-NZ 2.87Å; Y151-P400 HydrophobicContact CD2-CB 4.2Å; Y151-L401 HydrophobicContact CE1-CD2 4.3Å; Y151-L401 HydrophobicContact CE2-CD2 4.21Å
152F86.3Confident91.2Very high1 Ų114.4 Ų14.40%0.0048%0.077CC..  trans-62.6135.7170-95.121.6000111.3K73 I76 V148 P149 A150 Q156 R157 T228K73-F152 HydrophobicContact CG-CZ 4.05Å; I76-F152 HydrophobicContact CG2-CE2 4.15Å; I76-F152 HydrophobicContact CG2-CZ 4.22Å; V148-F152 HydrophobicContact CB-CB 4.47Å; V148-F152 HydrophobicContact CB-CD2 3.78Å; V148-F152 HydrophobicContact CB-CE2 4.4Å; V148-F152 HydrophobicContact CB-CG 4.32Å; V148-F152 HydrophobicContact CG1-CD2 3.96Å; V148-F152 HydrophobicContact CG1-CE2 4.37Å; P149-F152 HydrophobicContact CB-CD1 3.58Å; P149-F152 HydrophobicContact CB-CE1 3.93Å; P149-F152 HydrophobicContact CB-CG 4.17Å; P149-F152 HydrophobicContact CG-CD1 3.58Å; P149-F152 HydrophobicContact CG-CE1 3.41Å; P149-F152 VanDerWaalsContact CG-CE1 3.41Å; P149-F152 HydrophobicContact CG-CE2 4.42Å; P149-F152 HydrophobicContact CG-CG 4.19Å; P149-F152 HydrophobicContact CG-CZ 3.88Å; P149-F152 WeakPolarHBondContact O-CB 3.26Å; P149-F152 PolarHBondContact O-N 2.85Å; A150-F152 VanDerWaalsContact C-N 3.29Å; A150-F152 PolarHBondContact O-N 3.18Å; F152-Q156 HydrophobicContact CB-CB 4.09Å; F152-Q156 HydrophobicContact CD1-CB 4.31Å; F152-Q156 HydrophobicContact CD2-CB 3.4Å; F152-Q156 HydrophobicContact CD2-CG 4.49Å; F152-Q156 HydrophobicContact CE2-CB 3.77Å; F152-Q156 HydrophobicContact CG-CB 3.7Å; F152-Q156 HydrophobicContact CZ-CB 4.35Å; F152-R157 HydrophobicContact CB-CG 4.05Å; F152-R157 PolarHBondContact O-NE 3.4Å; F152-T228 HydrophobicContact CD1-CG2 4.02Å; F152-T228 HydrophobicContact CE1-CG2 4.46Å
153N81.6Confident91.3Very high26 Ų2611.1 Ų11.114%0.1395%0.054CC..  trans-80.2175.6175.97916.9000112.2Y151 S155 Q156 R157 E446Y151-N153 PolarHBondContact O-N 3.03Å; N153-S155 PolarHBondContact O-N 3.39Å; N153-S155 PolarHBondContact OD1-N 3.44Å; N153-Q156 VanDerWaalsContact N-OE1 3.13Å; N153-Q156 PolarHBondContact O-N 2.85Å; N153-Q156 VanDerWaalsContact OD1-CG 3.29Å; N153-Q156 WeakPolarHBondContact OD1-CG 3.44Å; N153-Q156 PolarHBondContact OD1-N 2.88Å; N153-R157 WeakPolarHBondContact O-CG 3.45Å; N153-R157 PolarHBondContact O-N 2.97Å; N153-E446 VanDerWaalsContact CB-OE1 3.29Å; N153-E446 WeakPolarHBondContact CB-OE1 3.24Å
154D80.1Confident91.3Very high14 Ų1410.1 Ų10.18%0.0755%0.048CC..Hα-helixtrans-56.3-46.7-178.1-179.976.2000113Q156 R157 Q158 E446 L458D154-Q156 VanDerWaalsContact C-N 3.33Å; D154-Q156 PolarHBondContact O-N 3.4Å; D154-R157 PolarHBondContact O-N 3.01Å; D154-Q158 WeakPolarHBondContact O-CB 3.32Å; D154-Q158 PolarHBondContact O-N 2.87Å; D154-E446 PolarHBondContact N-OE2 3.15Å; D154-L458 HydrophobicContact CB-CD2 3.93Å
155S83.7Confident91.1Very high19 Ų1912.9 Ų12.913%0.1337%0.065CC..Hα-helixtrans-62.8-37.9-178.7-165.90000112.6G77 N153 A159G77-S155 PolarHBondContact O-OG 3.22Å; N153-S155 PolarHBondContact O-N 3.39Å; N153-S155 PolarHBondContact OD1-N 3.44Å; S155-A159 WeakPolarHBondContact O-CB 3.35Å; S155-A159 PolarHBondContact O-N 3.15Å
156Q89.1Confident91Very high4 Ų413.1 Ų13.12%0.0197%0.066CC..Hα-helixtrans-73-41179.8-63.9175.4-64.200111.9I76 F152 N153 D154 Q158 T160I76-Q156 WeakPolarHBondContact O-CG 3.33Å; F152-Q156 HydrophobicContact CB-CB 4.09Å; F152-Q156 HydrophobicContact CD1-CB 4.31Å; F152-Q156 HydrophobicContact CD2-CB 3.4Å; F152-Q156 HydrophobicContact CD2-CG 4.49Å; F152-Q156 HydrophobicContact CE2-CB 3.77Å; F152-Q156 HydrophobicContact CG-CB 3.7Å; F152-Q156 HydrophobicContact CZ-CB 4.35Å; N153-Q156 VanDerWaalsContact N-OE1 3.13Å; N153-Q156 PolarHBondContact O-N 2.85Å; N153-Q156 VanDerWaalsContact OD1-CG 3.29Å; N153-Q156 WeakPolarHBondContact OD1-CG 3.44Å; N153-Q156 PolarHBondContact OD1-N 2.88Å; D154-Q156 VanDerWaalsContact C-N 3.33Å; D154-Q156 PolarHBondContact O-N 3.4Å; Q156-Q158 VanDerWaalsContact C-N 3.32Å; Q156-T160 WeakPolarHBondContact O-CB 3.25Å; Q156-T160 PolarHBondContact O-N 3.24Å; Q156-T160 PolarHBondContact O-OG1 2.79Å
157R89.3Confident90.9Very high22 Ų2213.5 Ų13.58%0.0837%0.069CC..Hα-helixtrans-59.8-46.4173.6-70.6173.9-180-81.2-8.8110.7V148 A150 F152 N153 D154 T160 K161 N176V148-R157 HydrophobicContact CG2-CG 4.3Å; A150-R157 PolarHBondContact O-NH2 3.36Å; F152-R157 HydrophobicContact CB-CG 4.05Å; F152-R157 PolarHBondContact O-NE 3.4Å; N153-R157 WeakPolarHBondContact O-CG 3.45Å; N153-R157 PolarHBondContact O-N 2.97Å; D154-R157 PolarHBondContact O-N 3.01Å; R157-T160 PolarHBondContact O-N 2.96Å; R157-K161 PolarHBondContact O-N 3.15Å; R157-N176 VanDerWaalsContact CZ-OD1 3.23Å; R157-N176 PolarHBondContact NH1-OD1 3.25Å; R157-N176 PolarHBondContact NH2-OD1 2.95Å
158Q86.6Confident90.7Very high19 Ų1915.3 Ų15.39%0.0899%0.088CC..Hα-helixtrans-69-42.5-178.7-172.555.183.200112.6D154 Q156 T160 K161 D162 R511D154-Q158 WeakPolarHBondContact O-CB 3.32Å; D154-Q158 PolarHBondContact O-N 2.87Å; Q156-Q158 VanDerWaalsContact C-N 3.32Å; Q158-T160 VanDerWaalsContact C-N 3.28Å; Q158-T160 PolarHBondContact O-N 3.12Å; Q158-K161 WeakPolarHBondContact O-CB 3.38Å; Q158-K161 PolarHBondContact O-N 3.2Å; Q158-D162 PolarHBondContact NE2-OD1 3.13Å; Q158-D162 VanDerWaalsContact O-CG 3.23Å; Q158-D162 PolarHBondContact O-N 2.81Å; Q158-R511 VanDerWaalsContact CG-NE 3.26Å; Q158-R511 VanDerWaalsContact CG-NH1 3.29Å
159A91.9Very high90.8Very high4 Ų415.6 Ų15.63%0.0339%0.09CC..Hα-helixtrans-61.6-36.7174.900000112.1I76 E119 S155 D162 A163I76-A159 HydrophobicContact CD1-CB 4.3Å; I76-A159 HydrophobicContact CG1-CB 3.64Å; E119-A159 HydrophobicContact CG-CB 3.79Å; E119-A159 WeakPolarHBondContact CG-O 3.24Å; E119-A159 WeakPolarHBondContact OE1-CB 3.26Å; S155-A159 WeakPolarHBondContact O-CB 3.35Å; S155-A159 PolarHBondContact O-N 3.15Å; A159-D162 PolarHBondContact O-N 3.2Å; A159-A163 PolarHBondContact O-N 2.88Å
160T95Very high91Very high1 Ų119.9 Ų19.91%0.00611%0.113CC..Hα-helixtrans-66.5-41.1173.8-54.70000111.9L13 V146 V148 Q156 R157 Q158 A163 G164 I174L13-T160 HydrophobicContact CD2-CG2 4.06Å; V146-T160 HydrophobicContact CG1-CG2 4.01Å; V148-T160 HydrophobicContact CG1-CG2 3.77Å; Q156-T160 WeakPolarHBondContact O-CB 3.25Å; Q156-T160 PolarHBondContact O-N 3.24Å; Q156-T160 PolarHBondContact O-OG1 2.79Å; R157-T160 PolarHBondContact O-N 2.96Å; Q158-T160 VanDerWaalsContact C-N 3.28Å; Q158-T160 PolarHBondContact O-N 3.12Å; T160-A163 WeakPolarHBondContact O-CB 3.24Å; T160-A163 PolarHBondContact O-N 3.17Å; T160-G164 PolarHBondContact O-N 3.3Å; T160-G164 VanDerWaalsContact O-N 3.15Å; T160-I174 HydrophobicContact CG2-CD1 4.49Å
161K93.3Very high91.3Very high54 Ų5420.4 Ų20.424%0.23512%0.116CC..Hα-helixtrans-62.9-42.9173.7-176.4174.3-179.3176.80111.6R157 Q158 A163 G164 V165 V171 I174R157-K161 PolarHBondContact O-N 3.15Å; Q158-K161 WeakPolarHBondContact O-CB 3.38Å; Q158-K161 PolarHBondContact O-N 3.2Å; K161-A163 VanDerWaalsContact C-N 3.33Å; K161-A163 PolarHBondContact O-N 3.48Å; K161-G164 WeakPolarHBondContact O-CA 3.24Å; K161-G164 PolarHBondContact O-N 3.13Å; K161-G164 VanDerWaalsContact O-N 3.11Å; K161-V165 PolarHBondContact O-N 3.37Å; K161-V171 HydrophobicContact CG-CB 4.19Å; K161-V171 HydrophobicContact CG-CG1 4.35Å; K161-V171 HydrophobicContact CG-CG2 4.49Å; K161-I174 HydrophobicContact CB-CD1 4.21Å; K161-I174 HydrophobicContact CB-CG1 4.26Å
162D93.4Very high91.8Very high4 Ų420.9 Ų20.92%0.02112%0.121CC..Hα-helixtrans-63.1-39.4177.1-66.7-13.3000110.6Q158 A159 G164 V165 I166 R511 I517Q158-D162 PolarHBondContact NE2-OD1 3.13Å; Q158-D162 VanDerWaalsContact O-CG 3.23Å; Q158-D162 PolarHBondContact O-N 2.81Å; A159-D162 PolarHBondContact O-N 3.2Å; D162-G164 VanDerWaalsContact C-N 3.29Å; D162-G164 PolarHBondContact O-N 2.99Å; D162-V165 WeakPolarHBondContact O-CB 3.19Å; D162-V165 PolarHBondContact O-N 3.3Å; D162-V165 VanDerWaalsContact O-N 3.11Å; D162-I166 VanDerWaalsContact O-CG1 3.29Å; D162-I166 WeakPolarHBondContact O-CG1 3.25Å; D162-I166 PolarHBondContact O-N 3.4Å; D162-R511 IonicContact OD1-CZ 2.92Å; D162-R511 IonicContact OD1-NE 2.84Å; D162-R511 IonicContact OD1-NH2 3.83Å; D162-R511 PolarHBondContact OD1-NH2 3.36Å; D162-R511 IonicContact OD2-CZ 3.7Å; D162-R511 IonicContact OD2-NE 3.79Å; D162-R511 PolarHBondContact OD2-NE 3.43Å; D162-R511 IonicContact OD2-NH2 2.84Å; D162-R511 PolarHBondContact OD2-NH2 3.3Å; D162-I517 HydrophobicContact CB-CD1 4.31Å
163A97.3Very high92.2Very high0 Ų023.5 Ų23.50%013%0.131CC..Hα-helixtrans-58.4-38.8171.700000112.6E119 S123 L126 A159 T160 K161 I166 A167E119-A163 HydrophobicContact CB-CB 4.35Å; E119-A163 VanDerWaalsContact O-CB 3.31Å; E119-A163 WeakPolarHBondContact O-CB 3.45Å; S123-A163 WeakPolarHBondContact CB-O 3.31Å; L126-A163 HydrophobicContact CD1-CB 4.12Å; A159-A163 PolarHBondContact O-N 2.88Å; T160-A163 WeakPolarHBondContact O-CB 3.24Å; T160-A163 PolarHBondContact O-N 3.17Å; K161-A163 VanDerWaalsContact C-N 3.33Å; K161-A163 PolarHBondContact O-N 3.48Å; A163-I166 PolarHBondContact O-N 2.91Å; A163-A167 WeakPolarHBondContact O-CB 3.29Å; A163-A167 PolarHBondContact O-N 3.38Å
164G96.9Very high92.7Very high0 Ų022.7 Ų22.70%013%0.127CC..Hα-helixtrans-63.6-42.3172.900000113T160 K161 D162 A167 G168 L169T160-G164 PolarHBondContact O-N 3.3Å; T160-G164 VanDerWaalsContact O-N 3.15Å; K161-G164 WeakPolarHBondContact O-CA 3.24Å; K161-G164 PolarHBondContact O-N 3.13Å; K161-G164 VanDerWaalsContact O-N 3.11Å; D162-G164 VanDerWaalsContact C-N 3.29Å; D162-G164 PolarHBondContact O-N 2.99Å; G164-A167 WeakPolarHBondContact O-CB 3.22Å; G164-A167 PolarHBondContact O-N 2.7Å; G164-G168 PolarHBondContact O-N 2.86Å; G164-L169 CarbonylContact C-O 3.55Å; G164-L169 WeakPolarHBondContact O-CB 3.22Å; G164-L169 PolarHBondContact O-N 3.37Å
165V94.8Very high93.4Very high58 Ų5822.2 Ų22.235%0.35212%0.124SC..Hα-helixtrans-61.8-45.8175.2176.50000111K161 D162 A167 G168 I517 V521K161-V165 PolarHBondContact O-N 3.37Å; D162-V165 WeakPolarHBondContact O-CB 3.19Å; D162-V165 PolarHBondContact O-N 3.3Å; D162-V165 VanDerWaalsContact O-N 3.11Å; V165-A167 PolarHBondContact O-N 3.47Å; V165-G168 PolarHBondContact O-N 2.8Å; V165-I517 HydrophobicContact CG1-CG2 3.83Å; V165-V521 HydrophobicContact CG1-CG2 4.43Å
166I95.2Very high93.9Very high6 Ų621.6 Ų21.63%0.03112%0.119CC..Hα-helixtrans-60.4-33.7176.6-62.6162.8000111.2E119 S123 D162 A163 G168 L512 I517 M520 A524E119-I166 HydrophobicContact CB-CD1 4.14Å; S123-I166 VanDerWaalsContact OG-CG2 3.27Å; S123-I166 WeakPolarHBondContact OG-CG2 3.21Å; D162-I166 VanDerWaalsContact O-CG1 3.29Å; D162-I166 WeakPolarHBondContact O-CG1 3.25Å; D162-I166 PolarHBondContact O-N 3.4Å; A163-I166 PolarHBondContact O-N 2.91Å; I166-G168 PolarHBondContact O-N 3Å; I166-L512 HydrophobicContact CD1-CD1 4.19Å; I166-I517 HydrophobicContact CG1-CG2 4.46Å; I166-M520 HydrophobicContact CD1-CB 4.01Å; I166-M520 HydrophobicContact CD1-CG 4.5Å; I166-M520 HydrophobicContact CD1-SD 3.68Å; I166-M520 HydrophobicContact CG1-CB 3.94Å; I166-M520 HydrophobicContact CG2-CB 4.12Å; I166-A524 HydrophobicContact CG2-CB 4.01Å
167A96.7Very high94.2Very high8 Ų821.9 Ų21.97%0.06612%0.12CC..THydrogen-bonded Turntrans-74.2117500000114.2L126 V127 A163 G164 V165 L169L126-A167 HydrophobicContact CB-CB 3.72Å; V127-A167 HydrophobicContact CG2-CB 3.79Å; A163-A167 WeakPolarHBondContact O-CB 3.29Å; A163-A167 PolarHBondContact O-N 3.38Å; G164-A167 WeakPolarHBondContact O-CB 3.22Å; G164-A167 PolarHBondContact O-N 2.7Å; V165-A167 PolarHBondContact O-N 3.47Å; A167-L169 HydrophobicContact CB-CD1 4.36Å
168G94.6Very high94.5Very high39 Ų3920.8 Ų20.840%0.40212%0.116SC..THydrogen-bonded Turntrans68.934.5-175.600000112.7K130 G164 V165 I166K130-G168 PolarHBondContact NZ-O 3.23Å; G164-G168 PolarHBondContact O-N 2.86Å; V165-G168 PolarHBondContact O-N 2.8Å; I166-G168 PolarHBondContact O-N 3Å
169L96.7Very high94.9Very high5 Ų519.9 Ų19.93%0.02611%0.112CC..  trans-111.5131173.1-66.1168.3000110.1I11 L126 K130 A144 G164 A167 V171I11-L169 HydrophobicContact CD1-CD1 3.83Å; L126-L169 HydrophobicContact CB-CD1 4.43Å; K130-L169 HydrophobicContact CB-CD2 4.43Å; K130-L169 HydrophobicContact CD-CD2 3.84Å; K130-L169 HydrophobicContact CD-CG 4.27Å; K130-L169 HydrophobicContact CG-CD2 4.29Å; A144-L169 HydrophobicContact CB-CB 4.38Å; A144-L169 HydrophobicContact CB-CD1 4.04Å; A144-L169 HydrophobicContact CB-CD2 4.16Å; A144-L169 HydrophobicContact CB-CG 4.44Å; G164-L169 CarbonylContact C-O 3.55Å; G164-L169 WeakPolarHBondContact O-CB 3.22Å; G164-L169 PolarHBondContact O-N 3.37Å; A167-L169 HydrophobicContact CB-CD1 4.36Å; L169-V171 PolarHBondContact O-N 3.31Å
170N96Very high95.1Very high91 Ų9119.7 Ų19.749%0.48711%0.111SC..EExtended strand (participates in β ladder)trans-76.6102.1161.9178.633.7000108.7S142 N143 A144 L172S142-N170 WeakPolarHBondContact O-CB 3.45Å; S142-N170 PolarHBondContact O-N 3.01Å; N143-N170 WeakPolarHBondContact CA-O 3.49Å; N143-N170 WeakPolarHBondContact OD1-CB 3.39Å; N143-N170 PolarHBondContact OD1-ND2 3.4Å; A144-N170 PolarHBondContact N-O 2.84Å; N170-L172 WeakPolarHBondContact ND2-CD2 3.5Å; N170-L172 PolarHBondContact O-N 3.28Å; N170-L172 VanDerWaalsContact O-N 3.09Å
171V95.5Very high95.1Very high10 Ų1019.7 Ų19.76%0.06111%0.11CC..EExtended strand (participates in β ladder)trans-75.598.3179.3-176.30000109.3A144 V146 K161 L169 R173 I174A144-V171 CarbonylContact O-C 3.49Å; A144-V171 WeakPolarHBondContact O-CA 3.45Å; V146-V171 HydrophobicContact CG2-CG1 4.38Å; V146-V171 HydrophobicContact CG2-CG2 4.4Å; K161-V171 HydrophobicContact CG-CB 4.19Å; K161-V171 HydrophobicContact CG-CG1 4.35Å; K161-V171 HydrophobicContact CG-CG2 4.49Å; L169-V171 PolarHBondContact O-N 3.31Å; V171-R173 VanDerWaalsContact C-N 3.31Å; V171-R173 PolarHBondContact O-N 3.16Å; V171-I174 HydrophobicContact CG1-CD1 3.69Å; V171-I174 HydrophobicContact CG1-CG1 4.16Å
172L94.3Very high95.2Very high53 Ų5317.1 Ų17.128%0.27710%0.099SC..EExtended strand (participates in β ladder)trans-66.6-34.4-178.2-61.8-178.5000112.1A8 N143 A144 N170 L382 T383A8-L172 HydrophobicContact CB-CD1 3.74Å; N143-L172 HydrophobicContact CB-CD1 3.92Å; N143-L172 HydrophobicContact CB-CD2 4.37Å; N143-L172 HydrophobicContact CB-CG 4.05Å; A144-L172 PolarHBondContact O-N 3.47Å; N170-L172 WeakPolarHBondContact ND2-CD2 3.5Å; N170-L172 PolarHBondContact O-N 3.28Å; N170-L172 VanDerWaalsContact O-N 3.09Å; L172-L382 HydrophobicContact CB-CD1 3.98Å; L172-L382 HydrophobicContact CD1-CB 4.17Å; L172-T383 HydrophobicContact CD1-CG2 4.19Å
173R93.3Very high95.2Very high56 Ų5616.9 Ų16.921%0.21110%0.098CC..EExtended strand (participates in β ladder)trans-156.9141.5-178.9-174.467.466.3115.710.7110V145 V146 V171 L382 A484 N485V145-R173 WeakPolarHBondContact CA-O 3.37Å; V145-R173 HydrophobicContact CG1-CB 4.28Å; V145-R173 HydrophobicContact CG2-CB 4.12Å; V146-R173 PolarHBondContact N-O 3.37Å; V171-R173 VanDerWaalsContact C-N 3.31Å; V171-R173 PolarHBondContact O-N 3.16Å; R173-L382 HydrophobicContact CB-CD1 3.56Å; R173-L382 HydrophobicContact CG-CD1 4.38Å; R173-A484 VanDerWaalsContact NH1-CB 3.3Å; R173-A484 PolarHBondContact NH1-O 2.9Å; R173-N485 WeakPolarHBondContact CD-OD1 3.38Å
174I92.9Very high94.9Very high10 Ų1017.3 Ų17.35%0.05110%0.101CC..EExtended strand (participates in β ladder)trans-94123.1159.1-65.3-63.8000107.2V146 V148 T160 K161 V171V146-I174 HydrophobicContact CB-CD1 4.16Å; V146-I174 WeakPolarHBondContact O-CA 3.28Å; V148-I174 HydrophobicContact CB-CG2 4.13Å; V148-I174 HydrophobicContact CG1-CG2 3.71Å; V148-I174 HydrophobicContact CG2-CG2 3.3Å; T160-I174 HydrophobicContact CG2-CD1 4.49Å; K161-I174 HydrophobicContact CB-CD1 4.21Å; K161-I174 HydrophobicContact CB-CG1 4.26Å; V171-I174 HydrophobicContact CG1-CD1 3.69Å; V171-I174 HydrophobicContact CG1-CG1 4.16Å
175I94.5Very high94.7Very high3 Ų317.6 Ų17.62%0.01510%0.102CC..EExtended strand (participates in β ladder)trans-113.7141.9-179.7-168.6168.6000110.5V145 V146 T147 V148 A180 I183 A375 Q378 L395V145-I175 HydrophobicContact CG1-CB 4.06Å; V145-I175 HydrophobicContact CG1-CG2 3.6Å; V146-I175 PolarHBondContact O-N 3.13Å; V146-I175 VanDerWaalsContact O-N 3.09Å; T147-I175 CarbonylContact C-O 3.59Å; T147-I175 VanDerWaalsContact CA-O 3.26Å; T147-I175 WeakPolarHBondContact CA-O 3.48Å; T147-I175 HydrophobicContact CG2-CG2 3.73Å; V148-I175 PolarHBondContact N-O 3.2Å; I175-A180 HydrophobicContact CD1-CB 4.05Å; I175-A180 HydrophobicContact CG1-CB 4.34Å; I175-A180 HydrophobicContact CG2-CB 4.29Å; I175-I183 HydrophobicContact CD1-CD1 3.85Å; I175-A375 HydrophobicContact CG2-CB 4.23Å; I175-Q378 HydrophobicContact CD1-CB 4.04Å; I175-Q378 HydrophobicContact CD1-CG 4.11Å; I175-L395 HydrophobicContact CD1-CD2 4.49Å
176N94.1Very high94.4Very high7 Ų715.3 Ų15.34%0.0379%0.091CC..EExtended strand (participates in β ladder)trans-70.8134.9174.5-68.2-24.5000110.5V148 A150 R157 T179 A180 D397V148-N176 CarbonylContact O-C 3.56Å; V148-N176 VanDerWaalsContact O-CA 3.31Å; V148-N176 WeakPolarHBondContact O-CA 3.44Å; A150-N176 HydrophobicContact CB-CB 4.18Å; R157-N176 VanDerWaalsContact CZ-OD1 3.23Å; R157-N176 PolarHBondContact NH1-OD1 3.25Å; R157-N176 PolarHBondContact NH2-OD1 2.95Å; N176-T179 WeakPolarHBondContact O-CA 3.16Å; N176-T179 WeakPolarHBondContact O-CB 3.43Å; N176-T179 PolarHBondContact O-N 2.71Å; N176-T179 VanDerWaalsContact O-N 3.08Å; N176-A180 PolarHBondContact O-N 3.36Å; N176-D397 PolarHBondContact ND2-OD1 3.07Å; N176-D397 PolarHBondContact ND2-OD2 3.01Å
177E96Very high93.7Very high9 Ų916.5 Ų16.54%0.04210%0.097CC..Hα-helixtrans-50.7-53.8179.1-75165.6-155.600113.7K73 V148 P149 T179 A180 A181 V371K73-E177 IonicContact NZ-OE1 2.71Å; K73-E177 PolarHBondContact NZ-OE1 3.44Å; V148-E177 VanDerWaalsContact C-OE1 3.25Å; V148-E177 WeakPolarHBondContact O-CG 3.42Å; V148-E177 PolarHBondContact O-N 3.39Å; P149-E177 WeakPolarHBondContact CD-OE1 3.49Å; P149-E177 VanDerWaalsContact N-OE1 3.16Å; E177-T179 PolarHBondContact O-N 3.04Å; E177-A180 PolarHBondContact O-N 2.69Å; E177-A181 PolarHBondContact O-N 2.86Å; E177-V371 HydrophobicContact CB-CG1 4.21Å; E177-V371 HydrophobicContact CB-CG2 4.4Å; E177-V371 HydrophobicContact CG-CG1 3.87Å
178P95.1Very high92.4Very high0 Ų022.3 Ų22.30%013%0.127CC..Hα-helixtrans-66.7-27.9179.125.5-35.5000112.7A150 A181 A182 I199 D208 S210A150-P178 HydrophobicContact CB-CG 3.6Å; P178-A181 PolarHBondContact O-N 3.4Å; P178-A182 WeakPolarHBondContact O-CB 3.32Å; P178-A182 PolarHBondContact O-N 3.49Å; P178-I199 HydrophobicContact CB-CB 3.96Å; P178-I199 HydrophobicContact CB-CG2 3.69Å; P178-D208 HydrophobicContact CG-CB 4.18Å; P178-S210 VanDerWaalsContact CG-OG 3.27Å; P178-S210 WeakPolarHBondContact CG-OG 3.38Å
179T94.6Very high91.2Very high0 Ų024.5 Ų24.50%013%0.126CC..Hα-helixtrans-69.1-42.7174.8-56.80000111N176 E177 A182 I183 L395 D397N176-T179 WeakPolarHBondContact O-CA 3.16Å; N176-T179 WeakPolarHBondContact O-CB 3.43Å; N176-T179 PolarHBondContact O-N 2.71Å; N176-T179 VanDerWaalsContact O-N 3.08Å; E177-T179 PolarHBondContact O-N 3.04Å; T179-A182 WeakPolarHBondContact O-CB 3.38Å; T179-A182 PolarHBondContact O-N 3.06Å; T179-I183 WeakPolarHBondContact O-CG1 3.2Å; T179-I183 PolarHBondContact O-N 3.34Å; T179-I183 VanDerWaalsContact O-N 3.08Å; T179-L395 HydrophobicContact CG2-CD1 3.15Å; T179-L395 HydrophobicContact CG2-CD2 3.73Å; T179-L395 HydrophobicContact CG2-CG 3.84Å; T179-D397 PolarHBondContact OG1-OD2 2.91Å
180A96.1Very high89.4Confident0 Ų027 Ų270%015%0.152CC..Hα-helixtrans-62.5-44.117300000111.3I175 N176 E177 A182 I183 A184 V371 G374I175-A180 HydrophobicContact CD1-CB 4.05Å; I175-A180 HydrophobicContact CG1-CB 4.34Å; I175-A180 HydrophobicContact CG2-CB 4.29Å; N176-A180 PolarHBondContact O-N 3.36Å; E177-A180 PolarHBondContact O-N 2.69Å; A180-A182 VanDerWaalsContact C-N 3.29Å; A180-A182 PolarHBondContact O-N 3.16Å; A180-I183 WeakPolarHBondContact O-CB 3.49Å; A180-I183 PolarHBondContact O-N 3.11Å; A180-I183 VanDerWaalsContact O-N 3.15Å; A180-A184 PolarHBondContact O-N 2.66Å; A180-V371 HydrophobicContact CB-CG1 4.36Å; A180-V371 WeakPolarHBondContact CB-O 3.34Å; A180-G374 VanDerWaalsContact O-CA 3.28Å; A180-G374 WeakPolarHBondContact O-CA 3.43Å
181A96Very high87.8Confident0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-64-34.1175.900000113E177 P178 A184 Y185 I199 V339 A370 V371E177-A181 PolarHBondContact O-N 2.86Å; P178-A181 PolarHBondContact O-N 3.4Å; A181-A184 PolarHBondContact O-N 3.36Å; A181-Y185 WeakPolarHBondContact O-CB 3.19Å; A181-Y185 PolarHBondContact O-N 2.79Å; A181-I199 HydrophobicContact CB-CG2 4.25Å; A181-V339 HydrophobicContact CB-CB 4.36Å; A181-V339 HydrophobicContact CB-CG1 4.02Å; A181-V339 HydrophobicContact CB-CG2 3.47Å; A181-V339 VanDerWaalsContact CB-CG2 3.47Å; A181-A370 HydrophobicContact CB-CB 4.31Å; A181-V371 HydrophobicContact CB-CG2 4.34Å
182A94.4Very high86.4Confident0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-63.7-40.217300000112P178 T179 A180 Y185 G186 I199 L212 F219P178-A182 WeakPolarHBondContact O-CB 3.32Å; P178-A182 PolarHBondContact O-N 3.49Å; T179-A182 WeakPolarHBondContact O-CB 3.38Å; T179-A182 PolarHBondContact O-N 3.06Å; A180-A182 VanDerWaalsContact C-N 3.29Å; A180-A182 PolarHBondContact O-N 3.16Å; A182-Y185 PolarHBondContact O-N 3.39Å; A182-G186 PolarHBondContact O-N 2.88Å; A182-I199 HydrophobicContact CB-CD1 4.1Å; A182-I199 HydrophobicContact CB-CG1 4.13Å; A182-L212 HydrophobicContact CB-CD1 4.1Å; A182-L212 HydrophobicContact CB-CD2 3.58Å; A182-L212 HydrophobicContact CB-CG 4.44Å; A182-F219 HydrophobicContact CB-CD1 4.37Å; A182-F219 VanDerWaalsContact O-CE1 3.31Å; A182-F219 WeakPolarHBondContact O-CE1 3.47Å
183I93.2Very high85.7Confident0 Ų031.7 Ų31.70%019%0.185CC..Hα-helixtrans-59-48.1172.6-67.7165.9000110.3I175 T179 A180 Y185 G186 L187 V377 L393 L395I175-I183 HydrophobicContact CD1-CD1 3.85Å; T179-I183 WeakPolarHBondContact O-CG1 3.2Å; T179-I183 PolarHBondContact O-N 3.34Å; T179-I183 VanDerWaalsContact O-N 3.08Å; A180-I183 WeakPolarHBondContact O-CB 3.49Å; A180-I183 PolarHBondContact O-N 3.11Å; A180-I183 VanDerWaalsContact O-N 3.15Å; I183-Y185 VanDerWaalsContact C-N 3.27Å; I183-Y185 PolarHBondContact O-N 3.15Å; I183-G186 PolarHBondContact O-N 2.88Å; I183-L187 PolarHBondContact O-N 2.96Å; I183-V377 HydrophobicContact CG2-CB 3.74Å; I183-V377 HydrophobicContact CG2-CG1 3.63Å; I183-V377 HydrophobicContact CG2-CG2 4.09Å; I183-L393 HydrophobicContact CD1-CD2 4.45Å; I183-L393 HydrophobicContact CG1-CD1 4.26Å; I183-L393 HydrophobicContact CG1-CD2 4.47Å; I183-L393 HydrophobicContact CG2-CD1 3.81Å; I183-L395 HydrophobicContact CD1-CD1 4.1Å; I183-L395 HydrophobicContact CG1-CD1 4.36Å
184A92.9Very high85.6Confident8 Ų834.1 Ų34.17%0.06620%0.199CC..Hα-helixtrans-60.9-36.2178.200000112.7A180 A181 A370 Y373A180-A184 PolarHBondContact O-N 2.66Å; A181-A184 PolarHBondContact O-N 3.36Å; A184-A370 HydrophobicContact CB-CB 4.1Å; A184-A370 VanDerWaalsContact CB-O 3.28Å; A184-A370 WeakPolarHBondContact CB-O 3.42Å; A184-Y373 HydrophobicContact CB-CD1 3.56Å; A184-Y373 HydrophobicContact CB-CE1 4.35Å; A184-Y373 HydrophobicContact CB-CG 4.03Å
185Y91.9Very high85.6Confident6 Ų637.3 Ų37.32%0.02421%0.21CC..Hα-helixtrans-69.3-44.7173.8166.5-93.2000112.9A181 A182 I183 K189 V197 I214 D335 V337 N362A181-Y185 WeakPolarHBondContact O-CB 3.19Å; A181-Y185 PolarHBondContact O-N 2.79Å; A182-Y185 PolarHBondContact O-N 3.39Å; I183-Y185 VanDerWaalsContact C-N 3.27Å; I183-Y185 PolarHBondContact O-N 3.15Å; Y185-K189 HydrophobicContact CE1-CG 4.3Å; Y185-K189 HydrophobicContact CE2-CG 4.46Å; Y185-K189 VanDerWaalsContact O-CG 3.31Å; Y185-K189 WeakPolarHBondContact O-CG 3.28Å; Y185-V197 HydrophobicContact CD1-CG1 4.42Å; Y185-V197 HydrophobicContact CD1-CG2 4.4Å; Y185-V197 HydrophobicContact CE1-CG1 4.31Å; Y185-V197 HydrophobicContact CE1-CG2 3.74Å; Y185-I214 HydrophobicContact CD1-CD1 3.92Å; Y185-I214 HydrophobicContact CE1-CD1 4.1Å; Y185-D335 HydrophobicContact CE2-CB 4.46Å; Y185-D335 PolarHBondContact OH-OD1 2.98Å; Y185-D335 PolarHBondContact OH-OD2 3.25Å; Y185-V337 HydrophobicContact CD2-CG1 4.44Å; Y185-V337 HydrophobicContact CD2-CG2 3.56Å; Y185-V337 HydrophobicContact CE2-CG2 3.8Å; Y185-V337 HydrophobicContact CG-CG2 3.98Å; Y185-N362 WeakPolarHBondContact CE2-ND2 3.17Å
186G87.7Confident85.7Confident11 Ų1137.7 Ų37.711%0.11321%0.213CC..Hα-helixtrans-81.3-25.2-16900000114.8A182 I183 D188 K189A182-G186 PolarHBondContact O-N 2.88Å; I183-G186 PolarHBondContact O-N 2.88Å; G186-D188 VanDerWaalsContact C-N 3.3Å; G186-D188 PolarHBondContact O-N 3.49Å; G186-K189 PolarHBondContact O-N 3.47Å
187L80.8Confident85.8Confident31 Ų3137.4 Ų37.416%0.16221%0.211CC..G310 helixtrans-56.1-41.7-175.1-158.297.4000112.8I183 Y373 V377 N389 V390I183-L187 PolarHBondContact O-N 2.96Å; L187-Y373 HydrophobicContact CD2-CE1 4.23Å; L187-V377 HydrophobicContact CD1-CG1 4.04Å; L187-V377 HydrophobicContact CD1-CG2 4.21Å; L187-N389 WeakPolarHBondContact CD1-O 3.44Å; L187-V390 HydrophobicContact CD1-CG1 4.32Å
188D70.1Confident85.9Confident130 Ų13037 Ų3770%0.69521%0.209SC*.G310 helixtrans-91.9-4.9-175.1-67.5-20.2000113.6G186 G190G186-D188 VanDerWaalsContact C-N 3.3Å; G186-D188 PolarHBondContact O-N 3.49Å; D188-G190 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 3.22Å
189K69Low86Confident85 Ų8537 Ų3737%0.3721%0.209SC..G310 helixtrans-85.2-1.8-173.9-70.3-71.8179.4-175.40114.1Y185 G186 S192Y185-K189 HydrophobicContact CE1-CG 4.3Å; Y185-K189 HydrophobicContact CE2-CG 4.46Å; Y185-K189 VanDerWaalsContact O-CG 3.31Å; Y185-K189 WeakPolarHBondContact O-CG 3.28Å; G186-K189 PolarHBondContact O-N 3.47Å; K189-S192 PolarHBondContact O-OG 3.37Å
190G59.4Low86.2Confident57 Ų5737 Ų3759%0.58821%0.209SC*.  trans60.1-176.1179.500000113.5D188 S192D188-G190 VanDerWaalsContact C-N 3.31Å; D188-G190 PolarHBondContact O-N 3.22Å; G190-S192 PolarHBondContact O-N 2.91Å; G190-S192 PolarHBondContact O-OG 3.31Å
191K63.1Low86.3Confident153 Ų15337.2 Ų37.267%0.66521%0.21SC*.SBendtrans-76.971.5176.3-60.8-170.8-178.3-167.30110.4D392K191-D392 IonicContact NZ-OD2 3.7Å
192S64.8Low86.4Confident54 Ų5437.2 Ų37.238%0.37821%0.21SC..  trans-104.257.7-174.650.50000112.5K189 G190K189-S192 PolarHBondContact O-OG 3.37Å; G190-S192 PolarHBondContact O-N 2.91Å; G190-S192 PolarHBondContact O-OG 3.31Å
193G80.9Confident86.5Confident46 Ų4637.9 Ų37.947%0.47422%0.217SC..SBendtrans57.4-178.4177.100000114.4R195G193-R195 PolarHBondContact O-N 3.28Å
194E90.6Very high86.6Confident106 Ų10638.9 Ų38.950%0.49523%0.227SC..  trans-67.3124.9174.6-171.1-17016300110.5T213 E215E194-T213 HydrophobicContact CG-CG2 3.45Å; E194-T213 VanDerWaalsContact CG-CG2 3.45Å; E194-T213 WeakPolarHBondContact OE1-CG2 3.36Å; E194-E215 HydrophobicContact CB-CB 4.43Å; E194-E215 HydrophobicContact CB-CG 4.31Å; E194-E215 HydrophobicContact CG-CB 4.46Å
195R92.9Very high86.6Confident77 Ų7738.5 Ų38.529%0.29122%0.224SC..EExtended strand (participates in β ladder)trans-128.2120.7175.2-61.7-173.58098.30.1111.3G193 V197 I214 D335G193-R195 PolarHBondContact O-N 3.28Å; R195-V197 HydrophobicContact CB-CG2 4.44Å; R195-I214 PolarHBondContact N-O 3.42Å; R195-I214 PolarHBondContact O-N 2.88Å; R195-D335 IonicContact CZ-OD2 3.6Å; R195-D335 IonicContact NE-OD2 3.66Å; R195-D335 PolarHBondContact NE-OD2 2.79Å; R195-D335 IonicContact NH2-OD2 3.96Å; R195-D335 PolarHBondContact NH2-OD2 3.43Å
196N96.1Very high86.7Confident12 Ų1238.5 Ų38.56%0.06422%0.224CC..EExtended strand (participates in β ladder)trans-81.8125.4166.2-55.8-46.1000110.8L212 T213 M328 Q332 I333 H334N196-L212 CarbonylContact C-O 3.57Å; N196-L212 VanDerWaalsContact CA-O 3.26Å; N196-L212 WeakPolarHBondContact CA-O 2.97Å; N196-T213 PolarHBondContact OD1-OG1 3.47Å; N196-M328 HydrophobicContact CB-CE 4.43Å; N196-M328 HydrophobicContact CB-SD 4.05Å; N196-M328 WeakPolarHBondContact OD1-CE 3.2Å; N196-Q332 WeakPolarHBondContact CB-O 3.31Å; N196-Q332 PolarHBondContact ND2-O 3.38Å; N196-I333 HydrophobicContact CB-CD1 4.37Å; N196-H334 PolarHBondContact N-ND1 2.65Å; N196-H334 WeakPolarHBondContact O-CB 3.05Å; N196-H334 PolarHBondContact O-N 2.84Å; N196-H334 PolarHBondContact O-ND1 3.12Å
197V96.2Very high87.1Confident0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-125136.3-176.5-177.10000109.1Y185 R195 I199 V211 L212 I214 D335 V337Y185-V197 HydrophobicContact CD1-CG1 4.42Å; Y185-V197 HydrophobicContact CD1-CG2 4.4Å; Y185-V197 HydrophobicContact CE1-CG1 4.31Å; Y185-V197 HydrophobicContact CE1-CG2 3.74Å; R195-V197 HydrophobicContact CB-CG2 4.44Å; V197-I199 HydrophobicContact CG1-CD1 3.84Å; V197-V211 WeakPolarHBondContact O-CA 3.39Å; V197-L212 PolarHBondContact N-O 3.44Å; V197-L212 PolarHBondContact O-N 3.38Å; V197-I214 HydrophobicContact CB-CD1 4.38Å; V197-I214 HydrophobicContact CG2-CD1 3.85Å; V197-I214 HydrophobicContact CG2-CG1 4.44Å; V197-D335 WeakPolarHBondContact CA-O 3.22Å; V197-D335 HydrophobicContact CG1-CB 4.19Å; V197-D335 HydrophobicContact CG2-CB 4.33Å; V197-V337 HydrophobicContact CG1-CB 4.47Å; V197-V337 HydrophobicContact CG1-CG2 3.6Å
198L98.1Very high87.8Confident0 Ų036.5 Ų36.50%021%0.211CC..EExtended strand (participates in β ladder)trans-102.2121.7167.8-173.9146.8000109.2F200 V209 S210 V211 V319 L323 I333 D335 V336 V337 F356L198-F200 HydrophobicContact CD2-CB 3.94Å; L198-V209 HydrophobicContact CD1-CG1 3.83Å; L198-V209 HydrophobicContact CD2-CG1 3.93Å; L198-V209 HydrophobicContact CG-CG1 3.88Å; L198-S210 WeakPolarHBondContact CA-O 3.47Å; L198-V211 HydrophobicContact CD1-CG2 4.07Å; L198-V211 HydrophobicContact CG-CG2 4.43Å; L198-V319 HydrophobicContact CD1-CG1 3.91Å; L198-L323 HydrophobicContact CD1-CD2 4.34Å; L198-L323 HydrophobicContact CD1-CG 4.49Å; L198-I333 HydrophobicContact CB-CG2 3.95Å; L198-D335 PolarHBondContact N-O 3.32Å; L198-V336 HydrophobicContact CD2-CG1 4.05Å; L198-V336 CarbonylContact O-C 3.54Å; L198-V336 WeakPolarHBondContact O-CA 3.26Å; L198-V337 PolarHBondContact O-N 2.88Å; L198-F356 HydrophobicContact CD1-CE2 4.36Å; L198-F356 HydrophobicContact CD1-CZ 3.84Å
199I98.1Very high89.1Confident0 Ų030.3 Ų30.30%018%0.178CC..EExtended strand (participates in β ladder)trans-92.7122.8169.5-51.1-59.3000107.8P178 A181 A182 V197 V209 S210 L212 V337 V339P178-I199 HydrophobicContact CB-CB 3.96Å; P178-I199 HydrophobicContact CB-CG2 3.69Å; A181-I199 HydrophobicContact CB-CG2 4.25Å; A182-I199 HydrophobicContact CB-CD1 4.1Å; A182-I199 HydrophobicContact CB-CG1 4.13Å; V197-I199 HydrophobicContact CG1-CD1 3.84Å; I199-V209 WeakPolarHBondContact O-CA 2.96Å; I199-S210 PolarHBondContact N-O 3.34Å; I199-S210 PolarHBondContact O-N 3.25Å; I199-S210 VanDerWaalsContact O-N 3.09Å; I199-L212 HydrophobicContact CB-CD1 4.49Å; I199-L212 HydrophobicContact CG1-CD1 3.57Å; I199-V337 HydrophobicContact CD1-CB 3.74Å; I199-V337 HydrophobicContact CD1-CG1 4.15Å; I199-V337 HydrophobicContact CD1-CG2 4.11Å; I199-V339 HydrophobicContact CG2-CG2 3.73Å
200F98.3Very high90.5Very high1 Ų126.3 Ų26.30%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-111.3103173.9-174.6-79.3000107.9L198 L202 F207 V209 T315 V319 V337 L338 V339 T343 I348 L352L198-F200 HydrophobicContact CD2-CB 3.94Å; F200-L202 HydrophobicContact CD1-CB 4.38Å; F200-L202 HydrophobicContact CE1-CB 3.83Å; F200-L202 HydrophobicContact CE1-CD2 4.33Å; F200-F207 HydrophobicContact CD1-CE2 4.09Å; F200-F207 AromaticContact CD2-CE2 3.82Å; F200-F207 HydrophobicContact CD2-CE2 3.82Å; F200-F207 AromaticContact CD2-CZ 3.98Å; F200-F207 HydrophobicContact CD2-CZ 3.98Å; F200-F207 HydrophobicContact CE1-CD2 4.46Å; F200-F207 AromaticContact CE1-CE2 3.7Å; F200-F207 HydrophobicContact CE1-CE2 3.7Å; F200-F207 HydrophobicContact CE1-CZ 4.44Å; F200-F207 AromaticContact CE2-CE2 3.42Å; F200-F207 HydrophobicContact CE2-CE2 3.42Å; F200-F207 VanDerWaalsContact CE2-CE2 3.42Å; F200-F207 AromaticContact CE2-CZ 3.38Å; F200-F207 HydrophobicContact CE2-CZ 3.38Å; F200-F207 HydrophobicContact CG-CE2 4.15Å; F200-F207 HydrophobicContact CZ-CD2 4.35Å; F200-F207 AromaticContact CZ-CE2 3.35Å; F200-F207 HydrophobicContact CZ-CE2 3.35Å; F200-F207 AromaticContact CZ-CZ 3.66Å; F200-F207 HydrophobicContact CZ-CZ 3.66Å; F200-V209 HydrophobicContact CD2-CG2 4.21Å; F200-T315 HydrophobicContact CZ-CG2 4.41Å; F200-V319 HydrophobicContact CD2-CG2 3.76Å; F200-V319 HydrophobicContact CE2-CG2 3.76Å; F200-V337 PolarHBondContact N-O 2.78Å; F200-L338 HydrophobicContact CB-CD2 4.22Å; F200-L338 HydrophobicContact CD1-CD2 4.21Å; F200-L338 HydrophobicContact CG-CD2 4.48Å; F200-V339 PolarHBondContact O-N 3.48Å; F200-T343 HydrophobicContact CD1-CG2 3.8Å; F200-T343 HydrophobicContact CE1-CG2 4.1Å; F200-I348 HydrophobicContact CE1-CG2 3.65Å; F200-I348 HydrophobicContact CZ-CG2 3.92Å; F200-L352 HydrophobicContact CB-CD2 3.96Å; F200-L352 HydrophobicContact CD1-CD2 4.29Å; F200-L352 HydrophobicContact CD2-CD1 3.81Å; F200-L352 HydrophobicContact CD2-CD2 3.76Å; F200-L352 HydrophobicContact CD2-CG 4.44Å; F200-L352 HydrophobicContact CE2-CD1 4.02Å; F200-L352 HydrophobicContact CE2-CD2 4.3Å; F200-L352 HydrophobicContact CG-CD2 3.75Å
201D97.9Very high92.3Very high5 Ų523.6 Ų23.63%0.02713%0.133CC..EExtended strand (participates in β ladder)trans-108.4105.6-177-167.6-11.1000110.7F207 D208 V339D201-F207 CarbonylContact O-C 3.56Å; D201-F207 WeakPolarHBondContact O-CA 3.31Å; D201-F207 VanDerWaalsContact O-CD2 3.26Å; D201-F207 WeakPolarHBondContact O-CD2 3.43Å; D201-D208 HydrophobicContact CB-CB 4.41Å; D201-D208 PolarHBondContact N-O 3.39Å; D201-D208 PolarHBondContact O-N 3.44Å; D201-V339 WeakPolarHBondContact CA-O 3.49Å; D201-V339 HydrophobicContact CB-CB 3.97Å; D201-V339 HydrophobicContact CB-CG1 4.35Å
202L98.1Very high93.9Very high0 Ų016.3 Ų16.30%010%0.101CC..EExtended strand (participates in β ladder)trans-119.297177-173.866.9000109.4F200 F207 F235 T315 V339 G340 S342 T343 I348F200-L202 HydrophobicContact CD1-CB 4.38Å; F200-L202 HydrophobicContact CE1-CB 3.83Å; F200-L202 HydrophobicContact CE1-CD2 4.33Å; L202-F207 HydrophobicContact CB-CD2 3.98Å; L202-F207 HydrophobicContact CB-CE2 4.5Å; L202-F207 HydrophobicContact CD1-CB 3.67Å; L202-F207 HydrophobicContact CD1-CD2 3.61Å; L202-F207 HydrophobicContact CD1-CG 3.82Å; L202-F207 HydrophobicContact CG-CD2 4.35Å; L202-F235 HydrophobicContact CD2-CE2 4.12Å; L202-F235 HydrophobicContact CD2-CZ 4.13Å; L202-T315 HydrophobicContact CD1-CG2 4.48Å; L202-T315 HydrophobicContact CD2-CG2 4.42Å; L202-V339 PolarHBondContact N-O 3.01Å; L202-G340 CarbonylContact O-C 3.58Å; L202-G340 VanDerWaalsContact O-C 3.3Å; L202-G340 WeakPolarHBondContact O-CA 3.31Å; L202-S342 VanDerWaalsContact O-CB 3.24Å; L202-S342 WeakPolarHBondContact O-CB 3.41Å; L202-S342 PolarHBondContact O-N 2.88Å; L202-S342 VanDerWaalsContact O-N 3.15Å; L202-T343 HydrophobicContact CB-CG2 3.9Å; L202-I348 HydrophobicContact CD2-CD1 3.97Å; L202-I348 HydrophobicContact CD2-CG1 4.05Å; L202-I348 HydrophobicContact CD2-CG2 4.24Å
203G96.6Very high95.3Very high14 Ų1414 Ų1414%0.1449%0.085CC..  trans-86.9-155.3-176.700000114.1T206 G232 S342G203-T206 PolarHBondContact N-O 2.91Å; G203-G232 PolarHBondContact O-N 2.93Å; G203-S342 PolarHBondContact O-OG 3.32Å
204G94.8Very high95.9Very high20 Ų2012.8 Ų12.821%0.2067%0.067CC..SBendtrans-79.2-31.2175.100000113.5T16 G231 G232 E233T16-G204 WeakPolarHBondContact OG1-CA 3.41Å; G204-G231 CarbonylContact O-C 3.56Å; G204-G232 PolarHBondContact O-N 3.24Å; G204-E233 PolarHBondContact O-N 3.32Å
205G93.2Very high95.8Very high0 Ų012 Ų120%06%0.064CC..SBendtrans-131.4-17.2-174.800000116.4R74 L230R74-G205 PolarHBondContact NE-O 3.1Å; R74-G205 PolarHBondContact NH2-O 2.72Å; G205-L230 CarbonylContact C-O 3.27Å; G205-L230 PolarHBondContact O-N 3.27Å
206T93.8Very high95.5Very high6 Ų612.6 Ų12.64%0.0377%0.073CC..  trans-132.9154.5-173.355.30000111P149 G203 L230P149-T206 HydrophobicContact CB-CG2 4.4Å; P149-T206 HydrophobicContact CG-CG2 3.82Å; G203-T206 PolarHBondContact N-O 2.91Å; T206-L230 CarbonylContact C-O 3.56Å; T206-L230 VanDerWaalsContact CA-O 3.26Å; T206-L230 WeakPolarHBondContact CA-O 3.44Å; T206-L230 PolarHBondContact N-O 2.81Å
207F96.6Very high94.8Very high0 Ų013.2 Ų13.20%08%0.082CC..EExtended strand (participates in β ladder)trans-130121.3175.7175.5-129.9000109.7F200 D201 L202 V209 G226 D227 L230 T315 P318 V319F200-F207 HydrophobicContact CD1-CE2 4.09Å; F200-F207 AromaticContact CD2-CE2 3.82Å; F200-F207 HydrophobicContact CD2-CE2 3.82Å; F200-F207 AromaticContact CD2-CZ 3.98Å; F200-F207 HydrophobicContact CD2-CZ 3.98Å; F200-F207 HydrophobicContact CE1-CD2 4.46Å; F200-F207 AromaticContact CE1-CE2 3.7Å; F200-F207 HydrophobicContact CE1-CE2 3.7Å; F200-F207 HydrophobicContact CE1-CZ 4.44Å; F200-F207 AromaticContact CE2-CE2 3.42Å; F200-F207 HydrophobicContact CE2-CE2 3.42Å; F200-F207 VanDerWaalsContact CE2-CE2 3.42Å; F200-F207 AromaticContact CE2-CZ 3.38Å; F200-F207 HydrophobicContact CE2-CZ 3.38Å; F200-F207 HydrophobicContact CG-CE2 4.15Å; F200-F207 HydrophobicContact CZ-CD2 4.35Å; F200-F207 AromaticContact CZ-CE2 3.35Å; F200-F207 HydrophobicContact CZ-CE2 3.35Å; F200-F207 AromaticContact CZ-CZ 3.66Å; F200-F207 HydrophobicContact CZ-CZ 3.66Å; D201-F207 CarbonylContact O-C 3.56Å; D201-F207 WeakPolarHBondContact O-CA 3.31Å; D201-F207 VanDerWaalsContact O-CD2 3.26Å; D201-F207 WeakPolarHBondContact O-CD2 3.43Å; L202-F207 HydrophobicContact CB-CD2 3.98Å; L202-F207 HydrophobicContact CB-CE2 4.5Å; L202-F207 HydrophobicContact CD1-CB 3.67Å; L202-F207 HydrophobicContact CD1-CD2 3.61Å; L202-F207 HydrophobicContact CD1-CG 3.82Å; L202-F207 HydrophobicContact CG-CD2 4.35Å; F207-V209 HydrophobicContact CE1-CG2 3.99Å; F207-V209 HydrophobicContact CE2-CG2 3.72Å; F207-V209 HydrophobicContact CZ-CG2 3.29Å; F207-G226 CarbonylContact O-C 3.3Å; F207-G226 WeakPolarHBondContact O-CA 3.4Å; F207-D227 PolarHBondContact N-O 3.18Å; F207-D227 PolarHBondContact O-N 2.89Å; F207-L230 HydrophobicContact CB-CB 4.23Å; F207-L230 HydrophobicContact CB-CD2 4.27Å; F207-L230 HydrophobicContact CB-CG 4.36Å; F207-L230 HydrophobicContact CD1-CD2 4.08Å; F207-L230 HydrophobicContact CG-CD2 4.41Å; F207-L230 PolarHBondContact N-O 3.26Å; F207-T315 HydrophobicContact CD1-CG2 4.48Å; F207-T315 HydrophobicContact CE1-CG2 4.29Å; F207-T315 VanDerWaalsContact CE1-O 3.23Å; F207-T315 WeakPolarHBondContact CE1-O 3.35Å; F207-T315 HydrophobicContact CZ-CG2 4.41Å; F207-T315 VanDerWaalsContact CZ-O 3.24Å; F207-T315 WeakPolarHBondContact CZ-O 3.4Å; F207-P318 HydrophobicContact CD1-CB 4.38Å; F207-P318 HydrophobicContact CD1-CG 4.05Å; F207-P318 HydrophobicContact CE1-CB 3.71Å; F207-P318 HydrophobicContact CE1-CG 3.63Å; F207-P318 HydrophobicContact CZ-CB 4.46Å; F207-V319 HydrophobicContact CZ-CG2 4.48Å
208D95.8Very high94.5Very high0 Ų016.2 Ų16.20%010%0.098CC..EExtended strand (participates in β ladder)trans-126.1146.5175.3-70.7-56.3000111.2P149 A150 Y151 P178 D201P149-D208 WeakPolarHBondContact CA-OD2 3.38Å; P149-D208 WeakPolarHBondContact CB-OD2 3.27Å; A150-D208 HydrophobicContact CB-CB 4.39Å; A150-D208 PolarHBondContact N-OD1 3.09Å; A150-D208 PolarHBondContact N-OD2 3.41Å; Y151-D208 PolarHBondContact N-OD1 2.95Å; Y151-D208 VanDerWaalsContact N-OD1 3.16Å; P178-D208 HydrophobicContact CG-CB 4.18Å; D201-D208 HydrophobicContact CB-CB 4.41Å; D201-D208 PolarHBondContact N-O 3.39Å; D201-D208 PolarHBondContact O-N 3.44Å
209V97.1Very high94.2Very high0 Ų016.5 Ų16.50%010%0.099CC..EExtended strand (participates in β ladder)trans-130.8125.8170.7-1770000108.6L198 I199 F200 F207 T224 A225 P318 V319 A322L198-V209 HydrophobicContact CD1-CG1 3.83Å; L198-V209 HydrophobicContact CD2-CG1 3.93Å; L198-V209 HydrophobicContact CG-CG1 3.88Å; I199-V209 WeakPolarHBondContact O-CA 2.96Å; F200-V209 HydrophobicContact CD2-CG2 4.21Å; F207-V209 HydrophobicContact CE1-CG2 3.99Å; F207-V209 HydrophobicContact CE2-CG2 3.72Å; F207-V209 HydrophobicContact CZ-CG2 3.29Å; V209-T224 VanDerWaalsContact O-CA 3.31Å; V209-T224 WeakPolarHBondContact O-CA 3.24Å; V209-T224 PolarHBondContact O-OG1 3.21Å; V209-A225 PolarHBondContact N-O 2.71Å; V209-A225 PolarHBondContact O-N 2.71Å; V209-A225 VanDerWaalsContact O-O 3.07Å; V209-P318 HydrophobicContact CG2-CB 4.22Å; V209-V319 HydrophobicContact CG1-CG2 4.27Å; V209-V319 HydrophobicContact CG2-CG2 3.77Å; V209-A322 HydrophobicContact CB-CB 4.41Å; V209-A322 HydrophobicContact CG1-CB 3.92Å
210S97.4Very high94Very high1 Ų119.2 Ų19.21%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-128.5136.6173.5-65.30000111P178 L198 I199 A223 T224P178-S210 VanDerWaalsContact CG-OG 3.27Å; P178-S210 WeakPolarHBondContact CG-OG 3.38Å; L198-S210 WeakPolarHBondContact CA-O 3.47Å; I199-S210 PolarHBondContact N-O 3.34Å; I199-S210 PolarHBondContact O-N 3.25Å; I199-S210 VanDerWaalsContact O-N 3.09Å; S210-A223 WeakPolarHBondContact CA-O 3.48Å; S210-T224 WeakPolarHBondContact OG-CB 3.34Å; S210-T224 PolarHBondContact OG-OG1 3.29Å
211V97.9Very high93.9Very high0 Ų019.2 Ų19.20%011%0.111CC..EExtended strand (participates in β ladder)trans-102.1123.3170.1179.60000107.3V197 L198 K222 A223 A322 L323 A326 M328 I333V197-V211 WeakPolarHBondContact O-CA 3.39Å; L198-V211 HydrophobicContact CD1-CG2 4.07Å; L198-V211 HydrophobicContact CG-CG2 4.43Å; V211-K222 HydrophobicContact CG1-CB 4.47Å; V211-K222 PolarHBondContact O-N 2.83Å; V211-A223 PolarHBondContact N-O 3.43Å; V211-A223 PolarHBondContact O-N 3.41Å; V211-A322 HydrophobicContact CG2-CB 4.1Å; V211-L323 HydrophobicContact CG2-CD2 4.13Å; V211-A326 HydrophobicContact CB-CB 4.03Å; V211-A326 HydrophobicContact CG1-CB 3.9Å; V211-A326 HydrophobicContact CG2-CB 4.41Å; V211-M328 HydrophobicContact CG1-SD 3.7Å; V211-I333 HydrophobicContact CG1-CD1 3.87Å
212L96.4Very high93.8Very high0 Ų021.8 Ų21.80%012%0.123CC..EExtended strand (participates in β ladder)trans-123149.4-180-58.492.8000110.6A182 N196 V197 I199 E220 V221A182-L212 HydrophobicContact CB-CD1 4.1Å; A182-L212 HydrophobicContact CB-CD2 3.58Å; A182-L212 HydrophobicContact CB-CG 4.44Å; N196-L212 CarbonylContact C-O 3.57Å; N196-L212 VanDerWaalsContact CA-O 3.26Å; N196-L212 WeakPolarHBondContact CA-O 2.97Å; V197-L212 PolarHBondContact N-O 3.44Å; V197-L212 PolarHBondContact O-N 3.38Å; I199-L212 HydrophobicContact CB-CD1 4.49Å; I199-L212 HydrophobicContact CG1-CD1 3.57Å; L212-E220 CarbonylContact C-O 3.53Å; L212-E220 WeakPolarHBondContact CA-O 3.4Å; L212-V221 HydrophobicContact CD2-CG2 3.76Å; L212-V221 HydrophobicContact CG-CG2 4.09Å
213T95.2Very high93.7Very high7 Ų721.8 Ų21.84%0.04312%0.123CC..EExtended strand (participates in β ladder)trans-104.3128162.4-58.60000108E194 N196 E220 K222E194-T213 HydrophobicContact CG-CG2 3.45Å; E194-T213 VanDerWaalsContact CG-CG2 3.45Å; E194-T213 WeakPolarHBondContact OE1-CG2 3.36Å; N196-T213 PolarHBondContact OD1-OG1 3.47Å; T213-E220 PolarHBondContact N-O 2.74Å; T213-E220 PolarHBondContact O-N 3.46Å; T213-K222 WeakPolarHBondContact OG1-CE 3.45Å
214I92.3Very high93.6Very high19 Ų1921.2 Ų21.210%0.09712%0.116CC..EExtended strand (participates in β ladder)trans-115.4119.8178.3-52.8175.5000107.9Y185 R195 V197 I218 F219Y185-I214 HydrophobicContact CD1-CD1 3.92Å; Y185-I214 HydrophobicContact CE1-CD1 4.1Å; R195-I214 PolarHBondContact N-O 3.42Å; R195-I214 PolarHBondContact O-N 2.88Å; V197-I214 HydrophobicContact CB-CD1 4.38Å; V197-I214 HydrophobicContact CG2-CD1 3.85Å; V197-I214 HydrophobicContact CG2-CG1 4.44Å; I214-I218 VanDerWaalsContact CA-O 3.31Å; I214-I218 WeakPolarHBondContact CA-O 3.5Å; I214-F219 HydrophobicContact CD1-CD1 3.89Å; I214-F219 HydrophobicContact CD1-CE1 3.8Å; I214-F219 HydrophobicContact CG1-CD1 3.82Å; I214-F219 HydrophobicContact CG1-CE1 4.1Å; I214-F219 HydrophobicContact CG2-CD1 4.11Å; I214-F219 HydrophobicContact CG2-CE1 3.85Å; I214-F219 HydrophobicContact CG2-CZ 4.09Å
215E90.1Very high93.4Very high89 Ų8920.2 Ų20.242%0.41611%0.106SC..EExtended strand (participates in β ladder)trans-147123179.8-173.8178.8-162.200109.7E194 G217 I218E194-E215 HydrophobicContact CB-CB 4.43Å; E194-E215 HydrophobicContact CB-CG 4.31Å; E194-E215 HydrophobicContact CG-CB 4.46Å; E215-G217 PolarHBondContact O-N 3.33Å; E215-I218 PolarHBondContact N-O 3.25Å; E215-I218 WeakPolarHBondContact O-CA 3.36Å; E215-I218 VanDerWaalsContact O-CB 3.26Å; E215-I218 WeakPolarHBondContact O-CB 3.43Å; E215-I218 PolarHBondContact O-N 2.88Å
216D84.8Confident93.3Very high90 Ų9021 Ų2148%0.48111%0.113SC..THydrogen-bonded Turntrans47.838174.7-69.9-29.6000115.9I218D216-I218 VanDerWaalsContact C-N 3.33Å
217G82.8Confident93Very high25 Ų2523.9 Ų23.926%0.25813%0.129SC..THydrogen-bonded Turntrans87.2-2.2-179.300000114.5E215 F219 L393 L394E215-G217 PolarHBondContact O-N 3.33Å; G217-F219 VanDerWaalsContact O-CD2 3.25Å; G217-F219 WeakPolarHBondContact O-CD2 3.41Å; G217-F219 WeakPolarHBondContact O-CE2 3.46Å; G217-L393 WeakPolarHBondContact O-CA 3.41Å; G217-L394 PolarHBondContact O-N 2.92Å
218I89.3Confident92.4Very high64 Ų6425 Ų2533%0.32814%0.135SC..EExtended strand (participates in β ladder)trans-87.3122.9171.7-53175.6000108.6I214 E215 D216 L394 L396I214-I218 VanDerWaalsContact CA-O 3.31Å; I214-I218 WeakPolarHBondContact CA-O 3.5Å; E215-I218 PolarHBondContact N-O 3.25Å; E215-I218 WeakPolarHBondContact O-CA 3.36Å; E215-I218 VanDerWaalsContact O-CB 3.26Å; E215-I218 WeakPolarHBondContact O-CB 3.43Å; E215-I218 PolarHBondContact O-N 2.88Å; D216-I218 VanDerWaalsContact C-N 3.33Å; I218-L394 CarbonylContact C-O 3.57Å; I218-L394 WeakPolarHBondContact CA-O 3.47Å; I218-L394 HydrophobicContact CG1-CB 4.31Å; I218-L394 HydrophobicContact CG1-CD2 4.43Å; I218-L394 HydrophobicContact CG2-CD2 4.42Å; I218-L396 HydrophobicContact CG2-CD1 4.15Å
219F92.6Very high92Very high6 Ų626.3 Ų26.33%0.02614%0.142CC..EExtended strand (participates in β ladder)trans-110.6101175.6-65.4-102.5000108.1A182 I214 G217 L393 L394 L395 L396A182-F219 HydrophobicContact CB-CD1 4.37Å; A182-F219 VanDerWaalsContact O-CE1 3.31Å; A182-F219 WeakPolarHBondContact O-CE1 3.47Å; I214-F219 HydrophobicContact CD1-CD1 3.89Å; I214-F219 HydrophobicContact CD1-CE1 3.8Å; I214-F219 HydrophobicContact CG1-CD1 3.82Å; I214-F219 HydrophobicContact CG1-CE1 4.1Å; I214-F219 HydrophobicContact CG2-CD1 4.11Å; I214-F219 HydrophobicContact CG2-CE1 3.85Å; I214-F219 HydrophobicContact CG2-CZ 4.09Å; G217-F219 VanDerWaalsContact O-CD2 3.25Å; G217-F219 WeakPolarHBondContact O-CD2 3.41Å; G217-F219 WeakPolarHBondContact O-CE2 3.46Å; F219-L393 HydrophobicContact CD2-CD1 4.23Å; F219-L393 HydrophobicContact CD2-CD2 4.17Å; F219-L393 HydrophobicContact CD2-CG 3.87Å; F219-L393 HydrophobicContact CE2-CD1 3.69Å; F219-L393 HydrophobicContact CE2-CD2 4.43Å; F219-L393 HydrophobicContact CE2-CG 3.69Å; F219-L393 HydrophobicContact CZ-CD1 4.33Å; F219-L394 PolarHBondContact N-O 3.4Å; F219-L395 HydrophobicContact CB-CD1 3.92Å; F219-L396 PolarHBondContact O-N 3.47Å
220E94.2Very high91.8Very high56 Ų5626.9 Ų26.926%0.26215%0.145SC..EExtended strand (participates in β ladder)trans-107.8115.2-178.8-168.7-170.8156.200110.8L212 T213 K222 L396L212-E220 CarbonylContact C-O 3.53Å; L212-E220 WeakPolarHBondContact CA-O 3.4Å; T213-E220 PolarHBondContact N-O 2.74Å; T213-E220 PolarHBondContact O-N 3.46Å; E220-K222 HydrophobicContact CG-CD 4.44Å; E220-K222 PolarHBondContact O-N 2.82Å; E220-K222 IonicContact OE1-NZ 3.65Å; E220-K222 PolarHBondContact OE1-NZ 2.98Å; E220-K222 WeakPolarHBondContact OE2-CE 3.35Å; E220-K222 IonicContact OE2-NZ 3.44Å; E220-K222 PolarHBondContact OE2-NZ 2.71Å; E220-L396 WeakPolarHBondContact CA-O 3.42Å; E220-L396 HydrophobicContact CB-CB 4.26Å; E220-L396 HydrophobicContact CB-CD1 4.47Å; E220-L396 HydrophobicContact CG-CB 3.98Å; E220-L396 HydrophobicContact CG-CD1 4.2Å
221V95.6Very high91.7Very high1 Ų126.8 Ų26.81%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-72.1120.1171.8-174.50000108.4L212 L396 D397 V398L212-V221 HydrophobicContact CD2-CG2 3.76Å; L212-V221 HydrophobicContact CG-CG2 4.09Å; V221-L396 PolarHBondContact N-O 3.34Å; V221-D397 HydrophobicContact CG2-CB 4.48Å; V221-V398 HydrophobicContact CB-CG1 4.17Å; V221-V398 HydrophobicContact CB-CG2 4.2Å; V221-V398 HydrophobicContact CG1-CG1 4.4Å; V221-V398 HydrophobicContact CG1-CG2 3.67Å; V221-V398 WeakPolarHBondContact O-CG1 3.22Å
222K96Very high91.7Very high60 Ų6026.9 Ų26.926%0.26115%0.145SC..EExtended strand (participates in β ladder)trans-89.3-37.5177.8-61.4-62.8-179.3179.70111.8V211 T213 E220 A326 M328V211-K222 HydrophobicContact CG1-CB 4.47Å; V211-K222 PolarHBondContact O-N 2.83Å; T213-K222 WeakPolarHBondContact OG1-CE 3.45Å; E220-K222 HydrophobicContact CG-CD 4.44Å; E220-K222 PolarHBondContact O-N 2.82Å; E220-K222 IonicContact OE1-NZ 3.65Å; E220-K222 PolarHBondContact OE1-NZ 2.98Å; E220-K222 WeakPolarHBondContact OE2-CE 3.35Å; E220-K222 IonicContact OE2-NZ 3.44Å; E220-K222 PolarHBondContact OE2-NZ 2.71Å; K222-A326 HydrophobicContact CB-CB 3.91Å; K222-M328 HydrophobicContact CG-CE 4Å
223A95.1Very high91.6Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-159.7152.9173.200000111.7S210 V211 A322 D325 A326 N419S210-A223 WeakPolarHBondContact CA-O 3.48Å; V211-A223 PolarHBondContact N-O 3.43Å; V211-A223 PolarHBondContact O-N 3.41Å; A223-A322 VanDerWaalsContact CB-O 3.32Å; A223-A322 WeakPolarHBondContact CB-O 3.49Å; A223-D325 HydrophobicContact CB-CB 3.69Å; A223-A326 HydrophobicContact CB-CB 3.91Å; A223-N419 WeakPolarHBondContact CA-OD1 3.19Å
224T93.9Very high91.7Very high1 Ų128 Ų281%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-133148.5168.8-168.30000111.7A150 V209 S210 V398 P400 R418 N419A150-T224 HydrophobicContact CB-CG2 4.45Å; A150-T224 WeakPolarHBondContact CB-OG1 3.23Å; V209-T224 VanDerWaalsContact O-CA 3.31Å; V209-T224 WeakPolarHBondContact O-CA 3.24Å; V209-T224 PolarHBondContact O-OG1 3.21Å; S210-T224 WeakPolarHBondContact OG-CB 3.34Å; S210-T224 PolarHBondContact OG-OG1 3.29Å; T224-V398 HydrophobicContact CG2-CG2 4.22Å; T224-P400 HydrophobicContact CG2-CB 3.97Å; T224-R418 PolarHBondContact O-NH2 3Å; T224-N419 PolarHBondContact N-OD1 2.67Å
225A91.9Very high91.9Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-150.1161.8173.600000108.6V209 P318 K321 A322V209-A225 PolarHBondContact N-O 2.71Å; V209-A225 PolarHBondContact O-N 2.71Å; V209-A225 VanDerWaalsContact O-O 3.07Å; A225-P318 HydrophobicContact CB-CB 4.12Å; A225-K321 HydrophobicContact CB-CB 4.27Å; A225-K321 HydrophobicContact CB-CD 4.09Å; A225-K321 HydrophobicContact CB-CG 4.18Å; A225-A322 HydrophobicContact CB-CB 4.22Å
226G91.2Very high92.3Very high15 Ų1522.9 Ų22.916%0.15513%0.126CC..EExtended strand (participates in β ladder)trans178.7-175179.600000112.9F207F207-G226 CarbonylContact O-C 3.3Å; F207-G226 WeakPolarHBondContact O-CA 3.4Å
227D87.4Confident92.8Very high68 Ų6819.3 Ų19.336%0.36411%0.107SC..EExtended strand (participates in β ladder)trans-135.2113170.3-172.9-16.7000108.5F207 H229 L230F207-D227 PolarHBondContact N-O 3.18Å; F207-D227 PolarHBondContact O-N 2.89Å; D227-H229 PolarHBondContact O-N 3.32Å; D227-H229 VanDerWaalsContact O-N 3.07Å; D227-H229 WeakPolarHBondContact OD1-CA 3.31Å; D227-H229 PolarHBondContact OD1-N 3.34Å; D227-L230 HydrophobicContact CB-CB 3.88Å
228T84.3Confident93.5Very high22 Ų2221.5 Ų21.514%0.13511%0.108CC..THydrogen-bonded Turntrans-72.94.2-179.659.70000113.2R78 Y151 F152R78-T228 PolarHBondContact NH2-OG1 3.45Å; Y151-T228 HydrophobicContact CD1-CG2 4.35Å; Y151-T228 WeakPolarHBondContact O-CG2 3.18Å; F152-T228 HydrophobicContact CD1-CG2 4.02Å; F152-T228 HydrophobicContact CE1-CG2 4.46Å
229H86.6Confident93.9Very high28 Ų2818.4 Ų18.413%0.139%0.092CC..THydrogen-bonded Turntrans-138.127.1-173.9-13082.1000113.6R78 D88 D227R78-H229 PolarHBondContact NH2-ND1 3.04Å; D88-H229 IonicContact OD1-CD2 3.44Å; D88-H229 IonicContact OD1-CE1 3.64Å; D88-H229 IonicContact OD1-NE2 2.68Å; D88-H229 PolarHBondContact OD1-NE2 2.85Å; D88-H229 IonicContact OD2-CE1 2.72Å; D88-H229 PolarHBondContact OD2-CE1 3.05Å; D88-H229 IonicContact OD2-NE2 2.71Å; D88-H229 PolarHBondContact OD2-NE2 2.95Å; D227-H229 PolarHBondContact O-N 3.32Å; D227-H229 VanDerWaalsContact O-N 3.07Å; D227-H229 WeakPolarHBondContact OD1-CA 3.31Å; D227-H229 PolarHBondContact OD1-N 3.34Å
230L93.3Very high94.2Very high12 Ų1218.3 Ų18.36%0.0639%0.092CC..  trans-128.1124.1176.1176.563.1000110.4G205 T206 F207 D227 D234 F235 L311 T315G205-L230 CarbonylContact C-O 3.27Å; G205-L230 PolarHBondContact O-N 3.27Å; T206-L230 CarbonylContact C-O 3.56Å; T206-L230 VanDerWaalsContact CA-O 3.26Å; T206-L230 WeakPolarHBondContact CA-O 3.44Å; T206-L230 PolarHBondContact N-O 2.81Å; F207-L230 HydrophobicContact CB-CB 4.23Å; F207-L230 HydrophobicContact CB-CD2 4.27Å; F207-L230 HydrophobicContact CB-CG 4.36Å; F207-L230 HydrophobicContact CD1-CD2 4.08Å; F207-L230 HydrophobicContact CG-CD2 4.41Å; F207-L230 PolarHBondContact N-O 3.26Å; D227-L230 HydrophobicContact CB-CB 3.88Å; L230-D234 WeakPolarHBondContact CA-OD2 3.2Å; L230-F235 HydrophobicContact CD1-CE1 4.32Å; L230-L311 HydrophobicContact CD1-CB 4.14Å; L230-L311 HydrophobicContact CD1-CD2 4.09Å; L230-T315 HydrophobicContact CD2-CG2 3.99Å
231G95.8Very high94.3Very high0 Ų019.6 Ų19.60%010%0.1CC..SBendtrans-174-165.9177.100000115.1G204 E233 D234G204-G231 CarbonylContact O-C 3.56Å; G231-E233 VanDerWaalsContact C-N 3.27Å; G231-E233 PolarHBondContact O-N 2.78Å; G231-D234 PolarHBondContact N-OD2 3.38Å; G231-D234 PolarHBondContact O-N 3.47Å; G231-D234 VanDerWaalsContact O-N 3.1Å
232G97.1Very high94.4Very high2 Ų221.6 Ų21.62%0.02111%0.11CC..Hα-helixtrans-54.1-35-17900000115.5G203 G204 D234 F235 D236 K273 S342G203-G232 PolarHBondContact O-N 2.93Å; G204-G232 PolarHBondContact O-N 3.24Å; G232-D234 VanDerWaalsContact C-N 3.33Å; G232-F235 WeakPolarHBondContact O-CB 3.26Å; G232-F235 PolarHBondContact O-N 3.14Å; G232-D236 PolarHBondContact O-N 2.92Å; G232-D236 VanDerWaalsContact O-N 3.1Å; G232-K273 PolarHBondContact O-NZ 3.11Å; G232-S342 VanDerWaalsContact CA-OG 3.31Å; G232-S342 WeakPolarHBondContact CA-OG 3.47Å; G232-S342 PolarHBondContact N-OG 3.1Å
233E94.6Very high94.5Very high6 Ų618.8 Ų18.83%0.02810%0.097CC..Hα-helixtrans-67.5-31.9178.5-74.2-62.4142.800112.2G204 G231 F235 D236 N237 R266G204-E233 PolarHBondContact O-N 3.32Å; G231-E233 VanDerWaalsContact C-N 3.27Å; G231-E233 PolarHBondContact O-N 2.78Å; E233-F235 VanDerWaalsContact C-N 3.33Å; E233-D236 PolarHBondContact O-N 3.13Å; E233-N237 WeakPolarHBondContact O-CB 3.17Å; E233-N237 VanDerWaalsContact O-CG 3.24Å; E233-N237 PolarHBondContact O-N 3.28Å; E233-N237 PolarHBondContact O-ND2 2.96Å; E233-R266 IonicContact OE2-NH1 2.79Å
234D96.3Very high94.7Very high23 Ų2319.3 Ų19.312%0.12310%0.1CC..Hα-helixtrans-70.9-34.5177.3-51.4-58.5000110.8R74 L230 G231 G232 N237 R238 L311R74-D234 IonicContact CZ-OD1 2.83Å; R74-D234 IonicContact CZ-OD2 2.56Å; R74-D234 IonicContact NH1-OD1 3.54Å; R74-D234 PolarHBondContact NH1-OD1 3.44Å; R74-D234 IonicContact NH1-OD2 3.93Å; R74-D234 IonicContact NH2-OD1 2.76Å; R74-D234 PolarHBondContact NH2-OD1 3.44Å; R74-D234 IonicContact NH2-OD2 3.92Å; R74-D234 PolarHBondContact NH2-OD2 2.97Å; L230-D234 WeakPolarHBondContact CA-OD2 3.2Å; G231-D234 PolarHBondContact N-OD2 3.38Å; G231-D234 PolarHBondContact O-N 3.47Å; G231-D234 VanDerWaalsContact O-N 3.1Å; G232-D234 VanDerWaalsContact C-N 3.33Å; D234-N237 WeakPolarHBondContact O-CB 3.15Å; D234-N237 PolarHBondContact O-N 3.03Å; D234-R238 WeakPolarHBondContact O-CG 3.26Å; D234-R238 PolarHBondContact O-N 2.68Å; D234-R238 VanDerWaalsContact O-N 3.13Å; D234-L311 HydrophobicContact CB-CD1 4.02Å
235F98.1Very high94.9Very high0 Ų024.6 Ų24.60%013%0.125CC..Hα-helixtrans-66.8-40.3172.5-47.8-31.2000111.2L202 L230 G232 E233 N237 R238 M239 K273 F304 C308 L311 F312 I345L202-F235 HydrophobicContact CD2-CE2 4.12Å; L202-F235 HydrophobicContact CD2-CZ 4.13Å; L230-F235 HydrophobicContact CD1-CE1 4.32Å; G232-F235 WeakPolarHBondContact O-CB 3.26Å; G232-F235 PolarHBondContact O-N 3.14Å; E233-F235 VanDerWaalsContact C-N 3.33Å; F235-N237 VanDerWaalsContact C-N 3.34Å; F235-R238 PolarHBondContact O-N 2.95Å; F235-M239 PolarHBondContact O-N 2.78Å; F235-K273 HydrophobicContact CB-CD 4.09Å; F235-F304 HydrophobicContact CB-CE2 4.1Å; F235-F304 HydrophobicContact CB-CZ 4.21Å; F235-C308 HydrophobicContact CD1-CB 4.33Å; F235-L311 HydrophobicContact CD1-CB 4.31Å; F235-L311 HydrophobicContact CD1-CD1 3.86Å; F235-L311 HydrophobicContact CE1-CB 3.8Å; F235-L311 HydrophobicContact CE1-CD1 4.05Å; F235-F312 HydrophobicContact CD1-CD1 4.25Å; F235-F312 AromaticContact CD1-CE1 3.67Å; F235-F312 HydrophobicContact CD1-CE1 3.67Å; F235-F312 HydrophobicContact CD2-CE1 4.01Å; F235-F312 AromaticContact CE1-CD1 3.76Å; F235-F312 HydrophobicContact CE1-CD1 3.76Å; F235-F312 AromaticContact CE1-CE1 3.58Å; F235-F312 HydrophobicContact CE1-CE1 3.58Å; F235-F312 AromaticContact CE2-CE1 3.92Å; F235-F312 HydrophobicContact CE2-CE1 3.92Å; F235-F312 AromaticContact CG-CE1 3.91Å; F235-F312 HydrophobicContact CG-CE1 3.91Å; F235-F312 AromaticContact CZ-CD1 3.92Å; F235-F312 HydrophobicContact CZ-CD1 3.92Å; F235-F312 AromaticContact CZ-CE1 3.72Å; F235-F312 HydrophobicContact CZ-CE1 3.72Å; F235-I345 HydrophobicContact CD2-CD1 3.67Å; F235-I345 HydrophobicContact CE2-CD1 3.84Å
236D97.5Very high95.1Very high2 Ų225.4 Ų25.41%0.01113%0.129CC..Hα-helixtrans-63.6-40.9174.3-65.2-28000111G232 E233 R238 M239 V240 E270 K273G232-D236 PolarHBondContact O-N 2.92Å; G232-D236 VanDerWaalsContact O-N 3.1Å; E233-D236 PolarHBondContact O-N 3.13Å; D236-R238 VanDerWaalsContact C-N 3.32Å; D236-R238 PolarHBondContact O-N 3.09Å; D236-M239 PolarHBondContact O-N 3.17Å; D236-M239 VanDerWaalsContact O-N 3.15Å; D236-V240 WeakPolarHBondContact O-CG2 3.46Å; D236-V240 PolarHBondContact O-N 2.9Å; D236-E270 WeakPolarHBondContact OD1-CA 3.43Å; D236-K273 WeakPolarHBondContact OD1-CD 3.34Å; D236-K273 WeakPolarHBondContact OD1-CE 3.47Å; D236-K273 IonicContact OD1-NZ 2.91Å; D236-K273 PolarHBondContact OD1-NZ 3.14Å; D236-K273 IonicContact OD2-NZ 2.68Å; D236-K273 PolarHBondContact OD2-NZ 2.73Å
237N95.6Very high95.4Very high14 Ų1424.7 Ų24.78%0.07512%0.122CC..Hα-helixtrans-57.2-41.5174.6-76-33.7000112.4E233 D234 F235 M239 V240 N241 R266E233-N237 WeakPolarHBondContact O-CB 3.17Å; E233-N237 VanDerWaalsContact O-CG 3.24Å; E233-N237 PolarHBondContact O-N 3.28Å; E233-N237 PolarHBondContact O-ND2 2.96Å; D234-N237 WeakPolarHBondContact O-CB 3.15Å; D234-N237 PolarHBondContact O-N 3.03Å; F235-N237 VanDerWaalsContact C-N 3.34Å; N237-M239 VanDerWaalsContact C-N 3.34Å; N237-M239 PolarHBondContact O-N 3.38Å; N237-V240 PolarHBondContact O-N 2.94Å; N237-N241 WeakPolarHBondContact O-CB 3.31Å; N237-N241 PolarHBondContact O-N 3.46Å; N237-N241 PolarHBondContact O-ND2 3.02Å; N237-R266 PolarHBondContact OD1-NH1 2.91Å; N237-R266 PolarHBondContact OD1-NH2 3.35Å
238R97.5Very high95.8Very high71 Ų7125.3 Ų25.327%0.26812%0.121SC..Hα-helixtrans-61.2-43.1175.8-63.7-57.6-179.384.8-4.4111.9D234 F235 D236 H242 L307 D310 L311D234-R238 WeakPolarHBondContact O-CG 3.26Å; D234-R238 PolarHBondContact O-N 2.68Å; D234-R238 VanDerWaalsContact O-N 3.13Å; F235-R238 PolarHBondContact O-N 2.95Å; D236-R238 VanDerWaalsContact C-N 3.32Å; D236-R238 PolarHBondContact O-N 3.09Å; R238-H242 WeakPolarHBondContact O-CB 3.49Å; R238-H242 PolarHBondContact O-N 2.92Å; R238-H242 VanDerWaalsContact O-N 3.12Å; R238-L307 HydrophobicContact CB-CB 4.39Å; R238-L307 PolarHBondContact NH1-O 3Å; R238-D310 IonicContact CZ-OD1 3.84Å; R238-D310 IonicContact CZ-OD2 2.9Å; R238-D310 IonicContact NH1-OD1 2.65Å; R238-D310 PolarHBondContact NH1-OD1 3.46Å; R238-D310 IonicContact NH1-OD2 3.91Å; R238-D310 PolarHBondContact NH1-OD2 3.42Å; R238-D310 IonicContact NH2-OD1 2.73Å; R238-D310 IonicContact NH2-OD2 2.72Å; R238-D310 PolarHBondContact NH2-OD2 2.82Å; R238-L311 HydrophobicContact CG-CD1 4.13Å; R238-L311 VanDerWaalsContact NH2-CG 3.33Å
239M98.1Very high96.5Very high0 Ų032.1 Ų32.10%014%0.144CC..Hα-helixtrans-67-45.6177.1-67.8-176.361.800111.6F235 D236 N237 N241 H242 F243 C269 A272 K273 I299 F304F235-M239 PolarHBondContact O-N 2.78Å; D236-M239 PolarHBondContact O-N 3.17Å; D236-M239 VanDerWaalsContact O-N 3.15Å; N237-M239 VanDerWaalsContact C-N 3.34Å; N237-M239 PolarHBondContact O-N 3.38Å; M239-N241 PolarHBondContact O-N 2.8Å; M239-H242 WeakPolarHBondContact O-CB 3.41Å; M239-H242 PolarHBondContact O-N 2.96Å; M239-F243 HydrophobicContact CE-CE2 4.32Å; M239-F243 WeakPolarHBondContact O-CD2 3.49Å; M239-F243 PolarHBondContact O-N 3.26Å; M239-C269 HydrophobicContact CB-CB 3.87Å; M239-C269 HydrophobicContact CE-CB 4.34Å; M239-A272 HydrophobicContact CE-CB 3.78Å; M239-K273 HydrophobicContact SD-CB 3.92Å; M239-I299 HydrophobicContact CE-CD1 4.15Å; M239-I299 HydrophobicContact CE-CG2 4.09Å; M239-F304 HydrophobicContact CG-CD2 3.81Å; M239-F304 HydrophobicContact CG-CE2 4.19Å; M239-F304 HydrophobicContact SD-CD2 3.51Å; M239-F304 VanDerWaalsContact SD-CD2 3.51Å; M239-F304 HydrophobicContact SD-CE2 3.77Å; M239-F304 HydrophobicContact SD-CG 4.43Å
240V97.5Very high96.9Very high4 Ų435.8 Ų35.82%0.02416%0.16CC..Hα-helixtrans-58.1-50.3177.8170.80000110.6D236 N237 H242 F243 V244 L262 L265 R266 C269D236-V240 WeakPolarHBondContact O-CG2 3.46Å; D236-V240 PolarHBondContact O-N 2.9Å; N237-V240 PolarHBondContact O-N 2.94Å; V240-H242 VanDerWaalsContact C-N 3.29Å; V240-H242 PolarHBondContact O-N 3.11Å; V240-F243 PolarHBondContact O-N 3.21Å; V240-F243 VanDerWaalsContact O-N 3.13Å; V240-V244 HydrophobicContact CG1-CG2 4.11Å; V240-V244 VanDerWaalsContact O-CG2 3.27Å; V240-V244 WeakPolarHBondContact O-CG2 3.37Å; V240-V244 PolarHBondContact O-N 2.97Å; V240-L262 HydrophobicContact CG1-CD2 4.31Å; V240-L265 HydrophobicContact CG1-CD2 4.26Å; V240-R266 HydrophobicContact CG2-CB 3.9Å; V240-R266 HydrophobicContact CG2-CG 4.23Å; V240-C269 HydrophobicContact CG2-CB 4.06Å
241N97.2Very high97.1Very high82 Ų8238.7 Ų38.744%0.43917%0.173SC..Hα-helixtrans-59.1-41.8179.3-69.8-16.9000111.7N237 M239 F243 V244 E245N237-N241 WeakPolarHBondContact O-CB 3.31Å; N237-N241 PolarHBondContact O-N 3.46Å; N237-N241 PolarHBondContact O-ND2 3.02Å; M239-N241 PolarHBondContact O-N 2.8Å; N241-F243 PolarHBondContact O-N 2.91Å; N241-V244 PolarHBondContact O-N 3.39Å; N241-E245 PolarHBondContact O-N 3.22Å; N241-E245 VanDerWaalsContact O-N 3.14Å
242H98.1Very high97.1Very high43 Ų4346.6 Ų46.620%0.19921%0.207CC..Hα-helixtrans-58.8-45.9175.8177.553.4000112.2R238 M239 V240 E245 E246 L307R238-H242 WeakPolarHBondContact O-CB 3.49Å; R238-H242 PolarHBondContact O-N 2.92Å; R238-H242 VanDerWaalsContact O-N 3.12Å; M239-H242 WeakPolarHBondContact O-CB 3.41Å; M239-H242 PolarHBondContact O-N 2.96Å; V240-H242 VanDerWaalsContact C-N 3.29Å; V240-H242 PolarHBondContact O-N 3.11Å; H242-E245 PolarHBondContact O-N 3.29Å; H242-E246 IonicContact NE2-OE2 2.72Å; H242-E246 WeakPolarHBondContact O-CB 3.48Å; H242-E246 PolarHBondContact O-N 2.71Å; H242-L307 HydrophobicContact CB-CD1 3.89Å; H242-L307 HydrophobicContact CB-CD2 4.23Å
243F98.3Very high97Very high1 Ų149.4 Ų49.40%0.00422%0.219CC..Hα-helixtrans-78-27.5-178.1-72.5-60.2000114.4M239 V240 N241 E246 F247 L265 I284 T297 I299M239-F243 HydrophobicContact CE-CE2 4.32Å; M239-F243 WeakPolarHBondContact O-CD2 3.49Å; M239-F243 PolarHBondContact O-N 3.26Å; V240-F243 PolarHBondContact O-N 3.21Å; V240-F243 VanDerWaalsContact O-N 3.13Å; N241-F243 PolarHBondContact O-N 2.91Å; F243-E246 HydrophobicContact CD1-CB 4.48Å; F243-E246 PolarHBondContact O-N 3.28Å; F243-F247 VanDerWaalsContact O-CB 3.25Å; F243-F247 WeakPolarHBondContact O-CB 3.4Å; F243-F247 PolarHBondContact O-N 2.99Å; F243-L265 HydrophobicContact CB-CD1 3.87Å; F243-L265 HydrophobicContact CB-CD2 3.96Å; F243-L265 HydrophobicContact CB-CG 4.44Å; F243-L265 HydrophobicContact CG-CD1 4.46Å; F243-I284 HydrophobicContact CD2-CD1 3.73Å; F243-I284 HydrophobicContact CE1-CD1 4.21Å; F243-I284 HydrophobicContact CE2-CD1 3.13Å; F243-I284 HydrophobicContact CG-CD1 4.47Å; F243-I284 HydrophobicContact CZ-CD1 3.41Å; F243-I284 VanDerWaalsContact CZ-CD1 3.41Å; F243-T297 HydrophobicContact CD1-CG2 3.76Å; F243-T297 HydrophobicContact CE1-CG2 3.38Å; F243-T297 HydrophobicContact CZ-CG2 4.2Å; F243-I299 HydrophobicContact CE2-CD1 4.21Å; F243-I299 HydrophobicContact CZ-CB 3.96Å; F243-I299 HydrophobicContact CZ-CD1 4.15Å; F243-I299 HydrophobicContact CZ-CG2 4.28Å
244V97.8Very high97.1Very high11 Ų1151.8 Ų51.87%0.06723%0.232CC..Hα-helixtrans-60.1-49.3168.7169.60000109.7V240 N241 F247 K248 I255 L262 L265V240-V244 HydrophobicContact CG1-CG2 4.11Å; V240-V244 VanDerWaalsContact O-CG2 3.27Å; V240-V244 WeakPolarHBondContact O-CG2 3.37Å; V240-V244 PolarHBondContact O-N 2.97Å; N241-V244 PolarHBondContact O-N 3.39Å; V244-F247 PolarHBondContact O-N 3.01Å; V244-K248 WeakPolarHBondContact O-CB 3.36Å; V244-K248 PolarHBondContact O-N 3.02Å; V244-I255 HydrophobicContact CB-CG1 4.46Å; V244-I255 HydrophobicContact CG1-CG1 4.27Å; V244-I255 HydrophobicContact CG2-CD1 3.99Å; V244-I255 HydrophobicContact CG2-CG1 3.93Å; V244-L262 HydrophobicContact CG2-CD2 3.67Å; V244-L265 HydrophobicContact CG2-CD2 3.88Å
245E97.9Very high97.1Very high112 Ų11250.7 Ų50.752%0.52323%0.226SC..Hα-helixtrans-67-37.7177.8-71-56.6137.500112.5N241 H242 K248 R249N241-E245 PolarHBondContact O-N 3.22Å; N241-E245 VanDerWaalsContact O-N 3.14Å; H242-E245 PolarHBondContact O-N 3.29Å; E245-K248 PolarHBondContact O-N 2.73Å; E245-R249 VanDerWaalsContact O-CB 3.3Å; E245-R249 WeakPolarHBondContact O-CB 3.45Å; E245-R249 PolarHBondContact O-N 2.9Å
246E96.8Very high96.8Very high17 Ų1752.8 Ų52.88%0.07924%0.241CC..Hα-helixtrans-61.7-47174.3-173.9179.4139.300111.7H242 F243 R249 K250 T297H242-E246 IonicContact NE2-OE2 2.72Å; H242-E246 WeakPolarHBondContact O-CB 3.48Å; H242-E246 PolarHBondContact O-N 2.71Å; F243-E246 HydrophobicContact CD1-CB 4.48Å; F243-E246 PolarHBondContact O-N 3.28Å; E246-R249 PolarHBondContact O-N 3.28Å; E246-K250 HydrophobicContact CG-CD 4.01Å; E246-K250 HydrophobicContact CG-CG 4.42Å; E246-K250 WeakPolarHBondContact O-CB 3.46Å; E246-K250 WeakPolarHBondContact O-CG 3.32Å; E246-K250 PolarHBondContact O-N 3.16Å; E246-K250 WeakPolarHBondContact OE1-CE 2.9Å; E246-K250 IonicContact OE1-NZ 2.67Å; E246-K250 PolarHBondContact OE1-NZ 3.36Å; E246-T297 PolarHBondContact OE1-OG1 3.42Å
247F97.5Very high96.5Very high0 Ų060.8 Ų60.80%028%0.278CS..Hα-helixtrans-62.1-44.5178.6-171.7-88.8000110.9F243 V244 R249 K250 H251 K253 I255 L289 F290 V293 L295F243-F247 VanDerWaalsContact O-CB 3.25Å; F243-F247 WeakPolarHBondContact O-CB 3.4Å; F243-F247 PolarHBondContact O-N 2.99Å; V244-F247 PolarHBondContact O-N 3.01Å; F247-R249 PolarHBondContact O-N 2.85Å; F247-K250 PolarHBondContact O-N 2.91Å; F247-H251 AromaticContact CD2-CD2 3.56Å; F247-H251 HydrophobicContact CE1-CB 4.34Å; F247-H251 AromaticContact CE2-CD2 3.68Å; F247-H251 AromaticContact CG-CD2 3.99Å; F247-H251 HydrophobicContact CZ-CB 4.44Å; F247-H251 WeakPolarHBondContact O-CB 3.4Å; F247-H251 PolarHBondContact O-N 2.85Å; F247-K253 WeakPolarHBondContact CD1-O 3.4Å; F247-K253 HydrophobicContact CE1-CB 3.9Å; F247-I255 HydrophobicContact CD1-CG2 3.52Å; F247-I255 HydrophobicContact CE1-CG2 3.43Å; F247-I255 VanDerWaalsContact CE1-CG2 3.43Å; F247-I255 HydrophobicContact CG-CG2 4.34Å; F247-I255 HydrophobicContact CZ-CG2 4.21Å; F247-L289 HydrophobicContact CD2-CD2 4.11Å; F247-L289 HydrophobicContact CE2-CD2 4.13Å; F247-F290 HydrophobicContact CE1-CB 4.11Å; F247-F290 HydrophobicContact CE1-CD1 4.25Å; F247-F290 HydrophobicContact CZ-CB 3.96Å; F247-V293 HydrophobicContact CE2-CB 4.36Å; F247-V293 HydrophobicContact CE2-CG1 3.85Å; F247-V293 HydrophobicContact CZ-CB 3.94Å; F247-V293 HydrophobicContact CZ-CG1 3.81Å; F247-L295 HydrophobicContact CD2-CB 4.37Å; F247-L295 HydrophobicContact CD2-CD1 4.18Å
248K97.3Very high96.4Very high82 Ų8263 Ų6336%0.35729%0.29SS..Hα-helixtrans-59.6-43.2174.5-171.7173.7-178165.40112.3V244 E245 K252 K253 D254V244-K248 WeakPolarHBondContact O-CB 3.36Å; V244-K248 PolarHBondContact O-N 3.02Å; E245-K248 PolarHBondContact O-N 2.73Å; K248-K252 WeakPolarHBondContact O-CA 3.38Å; K248-K252 PolarHBondContact O-N 3.43Å; K248-K253 VanDerWaalsContact CA-O 3.24Å; K248-K253 WeakPolarHBondContact CA-O 3.5Å; K248-D254 HydrophobicContact CD-CB 4.32Å; K248-D254 WeakPolarHBondContact CE-OD2 3.35Å; K248-D254 IonicContact NZ-OD2 2.72Å; K248-D254 PolarHBondContact NZ-OD2 3.27Å
249R97.1Very high96.2Very high164 Ų16464.1 Ų64.162%0.61930%0.297SS*.Hα-helixtrans-65.5-46.1177.6-177.9-177.860.6153.4-2.7112.4E245 E246 F247 K252E245-R249 VanDerWaalsContact O-CB 3.3Å; E245-R249 WeakPolarHBondContact O-CB 3.45Å; E245-R249 PolarHBondContact O-N 2.9Å; E246-R249 PolarHBondContact O-N 3.28Å; F247-R249 PolarHBondContact O-N 2.85Å; R249-K252 PolarHBondContact O-NZ 3.4Å
250K96.5Very high96Very high106 Ų10670.6 Ų70.646%0.46132%0.321SS..Hα-helixtrans-73.8-44.2-175.8-77-178.6172.1173.90112.9E246 F247E246-K250 HydrophobicContact CG-CD 4.01Å; E246-K250 HydrophobicContact CG-CG 4.42Å; E246-K250 WeakPolarHBondContact O-CB 3.46Å; E246-K250 WeakPolarHBondContact O-CG 3.32Å; E246-K250 PolarHBondContact O-N 3.16Å; E246-K250 WeakPolarHBondContact OE1-CE 2.9Å; E246-K250 IonicContact OE1-NZ 2.67Å; E246-K250 PolarHBondContact OE1-NZ 3.36Å; F247-K250 PolarHBondContact O-N 2.91Å
251H95.9Very high95.9Very high72 Ų7270.4 Ų70.433%0.33332%0.32SS..Hα-helixtrans-110.3-3.6-170.6-56.5-72.9000113.9F247 K253 V293F247-H251 AromaticContact CD2-CD2 3.56Å; F247-H251 HydrophobicContact CE1-CB 4.34Å; F247-H251 AromaticContact CE2-CD2 3.68Å; F247-H251 AromaticContact CG-CD2 3.99Å; F247-H251 HydrophobicContact CZ-CB 4.44Å; F247-H251 WeakPolarHBondContact O-CB 3.4Å; F247-H251 PolarHBondContact O-N 2.85Å; H251-K253 PolarHBondContact O-N 3.38Å; H251-V293 HydrophobicContact CB-CG1 4.25Å; H251-V293 WeakPolarHBondContact ND1-CG1 3.48Å
252K96.5Very high95.8Very high167 Ų16768.8 Ų68.873%0.72631%0.311SS*.SBendtrans58.124.9-177.7-50.1-54.1-175.7-160.10113.8K248 R249K248-K252 WeakPolarHBondContact O-CA 3.38Å; K248-K252 PolarHBondContact O-N 3.43Å; R249-K252 PolarHBondContact O-NZ 3.4Å
253K95.9Very high95.7Very high61 Ų6167 Ų6727%0.26530%0.303SS..  trans-121.1137.2179.2-68.1-173.8-176.9-162.70110.4F247 K248 H251 F290 E291 V293F247-K253 WeakPolarHBondContact CD1-O 3.4Å; F247-K253 HydrophobicContact CE1-CB 3.9Å; K248-K253 VanDerWaalsContact CA-O 3.24Å; K248-K253 WeakPolarHBondContact CA-O 3.5Å; H251-K253 PolarHBondContact O-N 3.38Å; K253-F290 HydrophobicContact CB-CD1 3.99Å; K253-F290 HydrophobicContact CB-CE1 4.04Å; K253-F290 HydrophobicContact CD-CD1 3.99Å; K253-F290 HydrophobicContact CD-CE1 4.18Å; K253-E291 HydrophobicContact CD-CB 4.4Å; K253-E291 WeakPolarHBondContact CD-OE2 3.49Å; K253-E291 WeakPolarHBondContact CE-OE2 3.35Å; K253-E291 VanDerWaalsContact NZ-CB 3.28Å; K253-E291 IonicContact NZ-OE2 2.7Å; K253-E291 PolarHBondContact NZ-OE2 2.93Å; K253-V293 HydrophobicContact CD-CG2 4.3Å
254D95.5Very high95.6Very high56 Ų5670.3 Ų70.330%0.29932%0.315SS..  trans-103.8115.2-179-166.2-28.5000110.5K248 S256K248-D254 HydrophobicContact CD-CB 4.32Å; K248-D254 WeakPolarHBondContact CE-OD2 3.35Å; K248-D254 IonicContact NZ-OD2 2.72Å; K248-D254 PolarHBondContact NZ-OD2 3.27Å; D254-S256 WeakPolarHBondContact OD1-CB 3.37Å; D254-S256 PolarHBondContact OD1-N 2.96Å; D254-S256 PolarHBondContact OD1-OG 3.38Å
255I95.8Very high95.5Very high0 Ų069.8 Ų69.80%031%0.312CS..  trans-88.9-4.6-178.768.2174.8000113.1V244 F247 Q257 N258 A261 L262 L265 L289 F290V244-I255 HydrophobicContact CB-CG1 4.46Å; V244-I255 HydrophobicContact CG1-CG1 4.27Å; V244-I255 HydrophobicContact CG2-CD1 3.99Å; V244-I255 HydrophobicContact CG2-CG1 3.93Å; F247-I255 HydrophobicContact CD1-CG2 3.52Å; F247-I255 HydrophobicContact CE1-CG2 3.43Å; F247-I255 VanDerWaalsContact CE1-CG2 3.43Å; F247-I255 HydrophobicContact CG-CG2 4.34Å; F247-I255 HydrophobicContact CZ-CG2 4.21Å; I255-Q257 PolarHBondContact O-N 2.77Å; I255-Q257 VanDerWaalsContact O-N 3.07Å; I255-N258 PolarHBondContact O-N 3.31Å; I255-A261 HydrophobicContact CB-CB 4.21Å; I255-L262 HydrophobicContact CD1-CD2 4.42Å; I255-L262 HydrophobicContact CG1-CD2 4.22Å; I255-L265 HydrophobicContact CD1-CD2 3.72Å; I255-L289 HydrophobicContact CD1-CD2 4.08Å; I255-F290 HydrophobicContact CG2-CB 3.51Å; I255-F290 HydrophobicContact CG2-CD1 3.91Å; I255-F290 HydrophobicContact CG2-CD2 4.13Å; I255-F290 HydrophobicContact CG2-CG 3.59Å
256S92.3Very high95.5Very high44 Ų4465.5 Ų65.531%0.30829%0.291SS..THydrogen-bonded Turntrans-59.1-24.6-173.361.80000113.9D254 L262D254-S256 WeakPolarHBondContact OD1-CB 3.37Å; D254-S256 PolarHBondContact OD1-N 2.96Å; D254-S256 PolarHBondContact OD1-OG 3.38Å; S256-L262 VanDerWaalsContact O-CD1 3.26Å; S256-L262 WeakPolarHBondContact O-CD1 3.5Å
257Q90.6Very high95.4Very high170 Ų17067.4 Ų67.479%0.79430%0.304SS*.THydrogen-bonded Turntrans-90.2-9.9179-56-53.8-59.600113.1I255I255-Q257 PolarHBondContact O-N 2.77Å; I255-Q257 VanDerWaalsContact O-N 3.07Å
258N94.2Very high95.4Very high59 Ų5968.4 Ų68.432%0.31631%0.312SS..  trans-99.8100.9-177.6-170.9-52.8000111I255 R260 A261 L262 F290I255-N258 PolarHBondContact O-N 3.31Å; N258-R260 VanDerWaalsContact C-N 3.27Å; N258-R260 PolarHBondContact O-N 2.86Å; N258-R260 WeakPolarHBondContact OD1-CB 3.32Å; N258-R260 PolarHBondContact OD1-N 3.34Å; N258-R260 VanDerWaalsContact OD1-N 3.12Å; N258-A261 HydrophobicContact CB-CB 3.91Å; N258-A261 PolarHBondContact O-N 3.26Å; N258-A261 PolarHBondContact OD1-N 3.39Å; N258-L262 PolarHBondContact O-N 3.45Å; N258-F290 HydrophobicContact CB-CD2 3.94Å; N258-F290 HydrophobicContact CB-CE2 3.77Å
259K93.6Very high95.4Very high96 Ų9664.5 Ų64.542%0.41730%0.295SS..Hα-helixtrans-54.9-39.5-178.9-61.8-175.5-178-172.20113.1P65 S66 P93 R263P65-K259 HydrophobicContact CB-CB 4.34Å; P65-K259 HydrophobicContact CG-CB 4.05Å; S66-K259 PolarHBondContact OG-NZ 3.22Å; P93-K259 HydrophobicContact CB-CB 4.42Å; P93-K259 HydrophobicContact CB-CD 4.24Å; P93-K259 WeakPolarHBondContact O-CE 3.38Å; P93-K259 PolarHBondContact O-NZ 3.37Å; K259-R263 WeakPolarHBondContact O-CB 3.43Å; K259-R263 PolarHBondContact O-N 3.46Å
260R93.8Very high95.4Very high135 Ų13557.4 Ų57.451%0.50927%0.269SS..Hα-helixtrans-68.2-46.8179.7176.7168.1-173.3-159.71.5111.3A62 N258 R263 R264A62-R260 WeakPolarHBondContact O-CG 3.16Å; N258-R260 VanDerWaalsContact C-N 3.27Å; N258-R260 PolarHBondContact O-N 2.86Å; N258-R260 WeakPolarHBondContact OD1-CB 3.32Å; N258-R260 PolarHBondContact OD1-N 3.34Å; N258-R260 VanDerWaalsContact OD1-N 3.12Å; R260-R263 PolarHBondContact O-N 2.87Å; R260-R264 WeakPolarHBondContact O-CG 3.41Å; R260-R264 PolarHBondContact O-N 3.2Å
261A96Very high95.4Very high1 Ų161.7 Ų61.71%0.00828%0.282CS..Hα-helixtrans-61.4-47.7177.200000111I255 N258 R263 R264 L265 L289 F290I255-A261 HydrophobicContact CB-CB 4.21Å; N258-A261 HydrophobicContact CB-CB 3.91Å; N258-A261 PolarHBondContact O-N 3.26Å; N258-A261 PolarHBondContact OD1-N 3.39Å; A261-R263 VanDerWaalsContact C-N 3.34Å; A261-R263 PolarHBondContact O-N 3.01Å; A261-R264 PolarHBondContact O-N 3.15Å; A261-L265 WeakPolarHBondContact O-CB 3.28Å; A261-L265 PolarHBondContact O-N 3.4Å; A261-L289 HydrophobicContact CB-CD1 4.1Å; A261-L289 HydrophobicContact CB-CG 4.47Å; A261-L289 WeakPolarHBondContact CB-O 3.37Å; A261-L289 WeakPolarHBondContact O-CD1 3.37Å; A261-F290 HydrophobicContact CB-CD2 4.39Å
262L95.6Very high95.6Very high47 Ų4758.3 Ų58.325%0.24627%0.267CS..Hα-helixtrans-59.6-42.2176.5-76.2-178.3000112.6V240 V244 I255 S256 N258 L265 R266V240-L262 HydrophobicContact CG1-CD2 4.31Å; V244-L262 HydrophobicContact CG2-CD2 3.67Å; I255-L262 HydrophobicContact CD1-CD2 4.42Å; I255-L262 HydrophobicContact CG1-CD2 4.22Å; S256-L262 VanDerWaalsContact O-CD1 3.26Å; S256-L262 WeakPolarHBondContact O-CD1 3.5Å; N258-L262 PolarHBondContact O-N 3.45Å; L262-L265 PolarHBondContact O-N 2.84Å; L262-R266 WeakPolarHBondContact O-CB 3.46Å; L262-R266 PolarHBondContact O-N 3.44Å
263R94.6Very high95.7Very high7 Ų751.4 Ų51.43%0.02624%0.237CC..Hα-helixtrans-66.1-41.7178.7-174.461.8-122.9-166.8-2.3112.3Y43 V61 K259 R260 A261 R266 T267Y43-R263 PolarHBondContact OH-NH1 2.91Å; V61-R263 HydrophobicContact CB-CG 4.45Å; V61-R263 HydrophobicContact CG1-CG 3.87Å; V61-R263 HydrophobicContact CG2-CG 3.94Å; K259-R263 WeakPolarHBondContact O-CB 3.43Å; K259-R263 PolarHBondContact O-N 3.46Å; R260-R263 PolarHBondContact O-N 2.87Å; A261-R263 VanDerWaalsContact C-N 3.34Å; A261-R263 PolarHBondContact O-N 3.01Å; R263-R266 PolarHBondContact O-N 3.38Å; R263-T267 PolarHBondContact NE-OG1 3.36Å; R263-T267 PolarHBondContact NH2-OG1 3.47Å; R263-T267 PolarHBondContact O-N 3.28Å; R263-T267 PolarHBondContact O-OG1 2.95Å
264R95.9Very high95.8Very high70 Ų7056.1 Ų56.126%0.26425%0.253SS..Hα-helixtrans-61.6-44.6174.3-70.1177.372.6-157.92.3111.2A62 R260 A261 T267 A268 I286 D287 S288 L289A62-R264 HydrophobicContact CB-CG 4.06Å; R260-R264 WeakPolarHBondContact O-CG 3.41Å; R260-R264 PolarHBondContact O-N 3.2Å; A261-R264 PolarHBondContact O-N 3.15Å; R264-T267 PolarHBondContact O-N 3.01Å; R264-A268 PolarHBondContact O-N 2.92Å; R264-A268 VanDerWaalsContact O-N 3.08Å; R264-I286 HydrophobicContact CB-CG2 4.38Å; R264-I286 VanDerWaalsContact CZ-CG2 3.47Å; R264-I286 VanDerWaalsContact NH2-CG2 3.27Å; R264-D287 VanDerWaalsContact CZ-O 3.31Å; R264-D287 PolarHBondContact NH1-O 2.84Å; R264-D287 PolarHBondContact NH2-O 2.67Å; R264-S288 PolarHBondContact NH1-O 2.78Å; R264-L289 HydrophobicContact CB-CD1 4.24Å
265L97.3Very high95.9Very high0 Ų056 Ų560%025%0.254CS..Hα-helixtrans-62.2-44.2176.5179.259.2000112.1V240 F243 V244 I255 A261 L262 A268 C269 I286 L289 L295V240-L265 HydrophobicContact CG1-CD2 4.26Å; F243-L265 HydrophobicContact CB-CD1 3.87Å; F243-L265 HydrophobicContact CB-CD2 3.96Å; F243-L265 HydrophobicContact CB-CG 4.44Å; F243-L265 HydrophobicContact CG-CD1 4.46Å; V244-L265 HydrophobicContact CG2-CD2 3.88Å; I255-L265 HydrophobicContact CD1-CD2 3.72Å; A261-L265 WeakPolarHBondContact O-CB 3.28Å; A261-L265 PolarHBondContact O-N 3.4Å; L262-L265 PolarHBondContact O-N 2.84Å; L265-A268 PolarHBondContact O-N 3.24Å; L265-C269 PolarHBondContact O-N 2.7Å; L265-C269 PolarHBondContact O-SG 3.43Å; L265-I286 HydrophobicContact CB-CD1 4.36Å; L265-I286 HydrophobicContact CD1-CD1 4.09Å; L265-L289 HydrophobicContact CB-CD1 4.47Å; L265-L295 HydrophobicContact CD1-CD2 3.65Å
266R96.1Very high96Very high21 Ų2156.1 Ų56.18%0.07926%0.255CS..Hα-helixtrans-59.9-47.2176.9-177.3178.9-65.1-79.9-5.1112.1E233 N237 V240 L262 R263 A268 C269 E270E233-R266 IonicContact OE2-NH1 2.79Å; N237-R266 PolarHBondContact OD1-NH1 2.91Å; N237-R266 PolarHBondContact OD1-NH2 3.35Å; V240-R266 HydrophobicContact CG2-CB 3.9Å; V240-R266 HydrophobicContact CG2-CG 4.23Å; L262-R266 WeakPolarHBondContact O-CB 3.46Å; L262-R266 PolarHBondContact O-N 3.44Å; R263-R266 PolarHBondContact O-N 3.38Å; R266-A268 VanDerWaalsContact C-N 3.27Å; R266-A268 PolarHBondContact O-N 3.46Å; R266-C269 WeakPolarHBondContact O-CB 3.42Å; R266-C269 PolarHBondContact O-N 3.44Å; R266-C269 VanDerWaalsContact O-N 3.09Å; R266-E270 PolarHBondContact O-N 2.98Å
267T94.9Very high96.3Very high57 Ų5755.4 Ų55.435%0.3525%0.25SC..Hα-helixtrans-59.3-39.4176.2-62.60000111.6R263 R264 R271R263-T267 PolarHBondContact NE-OG1 3.36Å; R263-T267 PolarHBondContact NH2-OG1 3.47Å; R263-T267 PolarHBondContact O-N 3.28Å; R263-T267 PolarHBondContact O-OG1 2.95Å; R264-T267 PolarHBondContact O-N 3.01Å; T267-R271 WeakPolarHBondContact O-CB 3.31Å; T267-R271 PolarHBondContact O-N 3.07Å; T267-R271 VanDerWaalsContact O-N 3.12Å
268A97.6Very high96.6Very high21 Ų2151.9 Ų51.917%0.17424%0.244CC..Hα-helixtrans-68.6-37.1174.700000112.7R264 L265 R266 R271 A272 I284 I286R264-A268 PolarHBondContact O-N 2.92Å; R264-A268 VanDerWaalsContact O-N 3.08Å; L265-A268 PolarHBondContact O-N 3.24Å; R266-A268 VanDerWaalsContact C-N 3.27Å; R266-A268 PolarHBondContact O-N 3.46Å; A268-R271 PolarHBondContact O-N 3.11Å; A268-A272 WeakPolarHBondContact O-CB 3.42Å; A268-A272 PolarHBondContact O-N 2.97Å; A268-I284 HydrophobicContact CB-CG2 4.05Å; A268-I286 HydrophobicContact CB-CD1 3.64Å; A268-I286 HydrophobicContact CB-CG1 4.01Å
269C98.1Very high96.7Very high0 Ų051.6 Ų51.60%025%0.247CC..Hα-helixtrans-65.7-46175.5-68.50000112.1M239 V240 L265 R266 R271 A272 K273M239-C269 HydrophobicContact CB-CB 3.87Å; M239-C269 HydrophobicContact CE-CB 4.34Å; V240-C269 HydrophobicContact CG2-CB 4.06Å; L265-C269 PolarHBondContact O-N 2.7Å; L265-C269 PolarHBondContact O-SG 3.43Å; R266-C269 WeakPolarHBondContact O-CB 3.42Å; R266-C269 PolarHBondContact O-N 3.44Å; R266-C269 VanDerWaalsContact O-N 3.09Å; C269-R271 VanDerWaalsContact C-N 3.31Å; C269-R271 PolarHBondContact O-N 2.92Å; C269-A272 PolarHBondContact O-N 3.38Å; C269-K273 WeakPolarHBondContact O-CB 3.48Å; C269-K273 PolarHBondContact O-N 2.99Å
270E97.1Very high96.9Very high16 Ų1651.2 Ų51.28%0.07526%0.256CS..Hα-helixtrans-57.1-45.9174.7-177-162.6160.900110.4K58 D236 R266 K273 R274K58-E270 IonicContact NZ-OE1 2.79Å; K58-E270 PolarHBondContact NZ-OE1 3.13Å; K58-E270 IonicContact NZ-OE2 3.71Å; D236-E270 WeakPolarHBondContact OD1-CA 3.43Å; R266-E270 PolarHBondContact O-N 2.98Å; E270-K273 WeakPolarHBondContact O-CB 3.37Å; E270-K273 PolarHBondContact O-N 3.31Å; E270-R274 WeakPolarHBondContact O-CG 3.46Å; E270-R274 PolarHBondContact O-N 2.75Å
271R97.3Very high97.1Very high195 Ų19549.8 Ų49.874%0.73626%0.255SS*.Hα-helixtrans-62.1-46.1176.2-174.8179.4179.2-172.7-0.5111.6T267 A268 C269 R274 T275T267-R271 WeakPolarHBondContact O-CB 3.31Å; T267-R271 PolarHBondContact O-N 3.07Å; T267-R271 VanDerWaalsContact O-N 3.12Å; A268-R271 PolarHBondContact O-N 3.11Å; C269-R271 VanDerWaalsContact C-N 3.31Å; C269-R271 PolarHBondContact O-N 2.92Å; R271-R274 PolarHBondContact O-N 2.84Å; R271-T275 PolarHBondContact O-N 3.3Å; R271-T275 PolarHBondContact O-OG1 2.96Å; R271-T275 VanDerWaalsContact O-OG1 3.08Å
272A98.3Very high97.3Very high2 Ų250 Ų502%0.01726%0.258CS..Hα-helixtrans-61.8-44.9177.300000111.4M239 A268 C269 R274 T275 L276 A282 I284 I299M239-A272 HydrophobicContact CE-CB 3.78Å; A268-A272 WeakPolarHBondContact O-CB 3.42Å; A268-A272 PolarHBondContact O-N 2.97Å; C269-A272 PolarHBondContact O-N 3.38Å; A272-R274 VanDerWaalsContact C-N 3.34Å; A272-R274 PolarHBondContact O-N 2.81Å; A272-T275 WeakPolarHBondContact O-CB 3.34Å; A272-T275 PolarHBondContact O-N 2.97Å; A272-T275 VanDerWaalsContact O-N 3.14Å; A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.38Å; A272-L276 PolarHBondContact O-N 3.2Å; A272-A282 HydrophobicContact CB-CB 3.98Å; A272-I284 HydrophobicContact CB-CD1 4.02Å; A272-I284 HydrophobicContact CB-CG1 3.88Å; A272-I299 HydrophobicContact CB-CG2 4.44Å
273K98.4Very high97.3Very high21 Ų2151.2 Ų51.29%0.09127%0.27CS..Hα-helixtrans-52.9-49.8173.6179.1-173.572.3-161.60111.3G232 F235 D236 M239 C269 E270 T275 L276 S277 F304G232-K273 PolarHBondContact O-NZ 3.11Å; F235-K273 HydrophobicContact CB-CD 4.09Å; D236-K273 WeakPolarHBondContact OD1-CD 3.34Å; D236-K273 WeakPolarHBondContact OD1-CE 3.47Å; D236-K273 IonicContact OD1-NZ 2.91Å; D236-K273 PolarHBondContact OD1-NZ 3.14Å; D236-K273 IonicContact OD2-NZ 2.68Å; D236-K273 PolarHBondContact OD2-NZ 2.73Å; M239-K273 HydrophobicContact SD-CB 3.92Å; C269-K273 WeakPolarHBondContact O-CB 3.48Å; C269-K273 PolarHBondContact O-N 2.99Å; E270-K273 WeakPolarHBondContact O-CB 3.37Å; E270-K273 PolarHBondContact O-N 3.31Å; K273-T275 PolarHBondContact O-N 3.03Å; K273-L276 PolarHBondContact O-N 3.23Å; K273-S277 PolarHBondContact O-N 3.07Å; K273-F304 HydrophobicContact CD-CE2 4.48Å; K273-F304 HydrophobicContact CD-CZ 4.19Å; K273-F304 HydrophobicContact CG-CE1 4.38Å; K273-F304 HydrophobicContact CG-CE2 4.11Å; K273-F304 HydrophobicContact CG-CZ 3.74Å
274R98.1Very high97.5Very high161 Ų16151 Ų5161%0.60827%0.269SS*.Hα-helixtrans-61.6-42.3178-68.8177.573.2-174.53111.9E270 R271 A272 L276 S277E270-R274 WeakPolarHBondContact O-CG 3.46Å; E270-R274 PolarHBondContact O-N 2.75Å; R271-R274 PolarHBondContact O-N 2.84Å; A272-R274 VanDerWaalsContact C-N 3.34Å; A272-R274 PolarHBondContact O-N 2.81Å; R274-L276 VanDerWaalsContact C-N 3.34Å; R274-L276 PolarHBondContact O-N 2.93Å; R274-S277 WeakPolarHBondContact O-CB 3.26Å; R274-S277 PolarHBondContact O-N 3.05Å
275T98.3Very high97.5Very high53 Ų5353.6 Ų53.633%0.32528%0.284SS..Hα-helixtrans-62-39.7174.9-59.60000112R271 A272 K273 S277 S278 S279 A282R271-T275 PolarHBondContact O-N 3.3Å; R271-T275 PolarHBondContact O-OG1 2.96Å; R271-T275 VanDerWaalsContact O-OG1 3.08Å; A272-T275 WeakPolarHBondContact O-CB 3.34Å; A272-T275 PolarHBondContact O-N 2.97Å; A272-T275 VanDerWaalsContact O-N 3.14Å; K273-T275 PolarHBondContact O-N 3.03Å; T275-S277 PolarHBondContact O-N 2.96Å; T275-S278 PolarHBondContact O-N 3.35Å; T275-S278 VanDerWaalsContact O-N 3.15Å; T275-S278 PolarHBondContact O-OG 2.99Å; T275-S279 WeakPolarHBondContact O-CB 3.09Å; T275-S279 PolarHBondContact O-N 2.76Å; T275-A282 HydrophobicContact CG2-CB 3.87Å
276L98.6Very high97.5Very high2 Ų254.1 Ų54.11%0.0129%0.287CS..Hα-helixtrans-66.3-17.6179.2-69.1176.4000113.5A272 K273 R274 S278 S279 A282 I299 R301 F304A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.38Å; A272-L276 PolarHBondContact O-N 3.2Å; K273-L276 PolarHBondContact O-N 3.23Å; R274-L276 VanDerWaalsContact C-N 3.34Å; R274-L276 PolarHBondContact O-N 2.93Å; L276-S278 VanDerWaalsContact C-N 3.26Å; L276-S278 PolarHBondContact O-N 3.24Å; L276-S279 CarbonylContact C-O 3.57Å; L276-S279 WeakPolarHBondContact CA-O 3.07Å; L276-A282 HydrophobicContact CD2-CB 3.91Å; L276-A282 HydrophobicContact CG-CB 4.02Å; L276-I299 HydrophobicContact CD1-CG2 4.05Å; L276-R301 HydrophobicContact CD2-CB 4.24Å; L276-R301 PolarHBondContact O-NE 3.25Å; L276-R301 PolarHBondContact O-NH2 3.45Å; L276-F304 HydrophobicContact CD1-CB 3.54Å; L276-F304 HydrophobicContact CD1-CD1 4.2Å; L276-F304 HydrophobicContact CD1-CG 3.9Å
277S97.4Very high97.5Very high29 Ų2957.7 Ų57.720%0.20331%0.308CS..THydrogen-bonded Turntrans-68.9-23.2173.9-63.40000113.3K273 R274 T275 P346K273-S277 PolarHBondContact O-N 3.07Å; R274-S277 WeakPolarHBondContact O-CB 3.26Å; R274-S277 PolarHBondContact O-N 3.05Å; T275-S277 PolarHBondContact O-N 2.96Å; S277-P346 WeakPolarHBondContact O-CG 3.38Å
278S96.8Very high97.6Very high97 Ų9758 Ų5868%0.67831%0.312SS*.THydrogen-bonded Turntrans-113.7-33.2175.354.80000112.9T275 L276 R301T275-S278 PolarHBondContact O-N 3.35Å; T275-S278 VanDerWaalsContact O-N 3.15Å; T275-S278 PolarHBondContact O-OG 2.99Å; L276-S278 VanDerWaalsContact C-N 3.26Å; L276-S278 PolarHBondContact O-N 3.24Å; S278-R301 PolarHBondContact O-NH2 3.41Å; S278-R301 VanDerWaalsContact O-NH2 3.16Å
279S97.8Very high97.6Very high52 Ų5257.3 Ų57.336%0.36431%0.305SS..SBendtrans-105.1154.6-177.3-62.10000113T275 L276 Q281 R301T275-S279 WeakPolarHBondContact O-CB 3.09Å; T275-S279 PolarHBondContact O-N 2.76Å; L276-S279 CarbonylContact C-O 3.57Å; L276-S279 WeakPolarHBondContact CA-O 3.07Å; S279-Q281 VanDerWaalsContact C-N 3.33Å; S279-Q281 WeakPolarHBondContact CB-O 3.34Å; S279-R301 PolarHBondContact O-NE 2.98Å; S279-R301 PolarHBondContact O-NH2 3.25Å
280S97.9Very high97.5Very high89 Ų8958.7 Ų58.762%0.62231%0.312SS*.SBendtrans-79.7-14.4177.553.60000113.6T300 R301S280-T300 CarbonylContact O-C 3.59Å; S280-T300 WeakPolarHBondContact O-CA 3.33Å; S280-R301 PolarHBondContact O-N 2.91Å
281Q98.1Very high97.4Very high104 Ų10464.2 Ų64.249%0.48634%0.337SS..EExtended strand (participates in β ladder)trans-148.4152179.1-173.3177.5-6.800110.1S279 S298 I299 T300S279-Q281 VanDerWaalsContact C-N 3.33Å; S279-Q281 WeakPolarHBondContact CB-O 3.34Å; Q281-S298 PolarHBondContact NE2-OG 2.85Å; Q281-I299 CarbonylContact C-O 3.55Å; Q281-I299 VanDerWaalsContact CA-O 3.3Å; Q281-I299 WeakPolarHBondContact CA-O 3.48Å; Q281-I299 WeakPolarHBondContact CG-O 3.36Å; Q281-T300 HydrophobicContact CG-CG2 4.45Å
282A98.4Very high97.3Very high7 Ų757.5 Ų57.56%0.05833%0.329CS..EExtended strand (participates in β ladder)trans-136140.6173.300000110A272 T275 L276 S298 I299A272-A282 HydrophobicContact CB-CB 3.98Å; T275-A282 HydrophobicContact CG2-CB 3.87Å; L276-A282 HydrophobicContact CD2-CB 3.91Å; L276-A282 HydrophobicContact CG-CB 4.02Å; A282-S298 CarbonylContact O-C 3.51Å; A282-S298 VanDerWaalsContact O-CA 3.28Å; A282-S298 WeakPolarHBondContact O-CA 3.4Å; A282-S298 WeakPolarHBondContact O-CB 3.41Å; A282-I299 HydrophobicContact CB-CG2 4.48Å; A282-I299 PolarHBondContact N-O 2.99Å; A282-I299 PolarHBondContact O-N 2.84Å
283S97.3Very high97.2Very high72 Ų7258.9 Ų58.950%0.50334%0.337SS..EExtended strand (participates in β ladder)trans-85.2150.1170.364.10000111.1E285S283-E285 WeakPolarHBondContact CB-OE1 3.21Å; S283-E285 PolarHBondContact OG-OE1 3.01Å
284I97.6Very high97.2Very high2 Ų260.9 Ų60.91%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-126.4113.3172.3-64.8179000106.5F243 A268 A272 I286 L295 Y296 T297 I299F243-I284 HydrophobicContact CD2-CD1 3.73Å; F243-I284 HydrophobicContact CE1-CD1 4.21Å; F243-I284 HydrophobicContact CE2-CD1 3.13Å; F243-I284 HydrophobicContact CG-CD1 4.47Å; F243-I284 HydrophobicContact CZ-CD1 3.41Å; F243-I284 VanDerWaalsContact CZ-CD1 3.41Å; A268-I284 HydrophobicContact CB-CG2 4.05Å; A272-I284 HydrophobicContact CB-CD1 4.02Å; A272-I284 HydrophobicContact CB-CG1 3.88Å; I284-I286 HydrophobicContact CG2-CD1 4.31Å; I284-I286 HydrophobicContact CG2-CG1 4.35Å; I284-L295 HydrophobicContact CG2-CD2 4.03Å; I284-Y296 WeakPolarHBondContact O-CA 3.47Å; I284-T297 HydrophobicContact CB-CG2 4.02Å; I284-T297 HydrophobicContact CG2-CG2 4.45Å; I284-T297 PolarHBondContact N-O 2.83Å; I284-T297 PolarHBondContact O-N 2.88Å; I284-I299 HydrophobicContact CD1-CG2 4.31Å
285E96.4Very high97.1Very high125 Ų12553.3 Ų53.358%0.58432%0.32SS*.EExtended strand (participates in β ladder)trans-132.2112.8-170.1-57.6176.8-154.600107.7S283 L295 Y296S283-E285 WeakPolarHBondContact CB-OE1 3.21Å; S283-E285 PolarHBondContact OG-OE1 3.01Å; E285-L295 CarbonylContact C-O 3.56Å; E285-L295 WeakPolarHBondContact CA-O 3.28Å; E285-Y296 HydrophobicContact CB-CD1 3.79Å; E285-Y296 HydrophobicContact CB-CE1 3.99Å; E285-Y296 HydrophobicContact CG-CD1 3.92Å; E285-Y296 HydrophobicContact CG-CE1 4.49Å
286I97.2Very high97.1Very high11 Ų1156.7 Ų56.76%0.05633%0.328CS..EExtended strand (participates in β ladder)trans-139.6105.1-178.3-46175.5000109.5R264 L265 A268 I284 L289 L295R264-I286 HydrophobicContact CB-CG2 4.38Å; R264-I286 VanDerWaalsContact CZ-CG2 3.47Å; R264-I286 VanDerWaalsContact NH2-CG2 3.27Å; L265-I286 HydrophobicContact CB-CD1 4.36Å; L265-I286 HydrophobicContact CD1-CD1 4.09Å; A268-I286 HydrophobicContact CB-CD1 3.64Å; A268-I286 HydrophobicContact CB-CG1 4.01Å; I284-I286 HydrophobicContact CG2-CD1 4.31Å; I284-I286 HydrophobicContact CG2-CG1 4.35Å; I286-L289 HydrophobicContact CB-CB 4.36Å; I286-L289 HydrophobicContact CB-CD1 4.47Å; I286-L289 HydrophobicContact CD1-CD1 4.1Å; I286-L289 HydrophobicContact CG2-CB 4.12Å; I286-L289 HydrophobicContact CG2-CD1 3.9Å; I286-L295 HydrophobicContact CB-CB 4.47Å; I286-L295 HydrophobicContact CD1-CD2 4.32Å; I286-L295 PolarHBondContact N-O 2.88Å; I286-L295 PolarHBondContact O-N 3.03Å
287D96.8Very high97Very high95 Ų9557.8 Ų57.851%0.50834%0.335SS..EExtended strand (participates in β ladder)trans-67.3137.7177.3-50.5-17.7000110.8R264 L289 D294 Y296R264-D287 VanDerWaalsContact CZ-O 3.31Å; R264-D287 PolarHBondContact NH1-O 2.84Å; R264-D287 PolarHBondContact NH2-O 2.67Å; D287-L289 VanDerWaalsContact C-N 3.27Å; D287-L289 PolarHBondContact O-N 3.23Å; D287-D294 WeakPolarHBondContact CA-OD1 3.09Å; D287-Y296 VanDerWaalsContact OD1-CZ 3.31Å; D287-Y296 PolarHBondContact OD1-OH 2.75Å
288S96.3Very high97Very high63 Ų6359 Ų5944%0.44134%0.343SS..EExtended strand (participates in β ladder)trans4453.6178.6-168.60000111.5R264 F290 G292 V293 D294R264-S288 PolarHBondContact NH1-O 2.78Å; S288-F290 VanDerWaalsContact C-N 3.31Å; S288-F290 PolarHBondContact O-N 2.71Å; S288-G292 WeakPolarHBondContact OG-CA 3.37Å; S288-V293 CarbonylContact C-O 3.58Å; S288-D294 PolarHBondContact N-OD1 3.48Å
289L96.7Very high97Very high7 Ų754.6 Ų54.64%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-60.1-45.1-178.7175.361.8000110.5F247 I255 A261 R264 L265 I286 D287 V293 L295F247-L289 HydrophobicContact CD2-CD2 4.11Å; F247-L289 HydrophobicContact CE2-CD2 4.13Å; I255-L289 HydrophobicContact CD1-CD2 4.08Å; A261-L289 HydrophobicContact CB-CD1 4.1Å; A261-L289 HydrophobicContact CB-CG 4.47Å; A261-L289 WeakPolarHBondContact CB-O 3.37Å; A261-L289 WeakPolarHBondContact O-CD1 3.37Å; R264-L289 HydrophobicContact CB-CD1 4.24Å; L265-L289 HydrophobicContact CB-CD1 4.47Å; I286-L289 HydrophobicContact CB-CB 4.36Å; I286-L289 HydrophobicContact CB-CD1 4.47Å; I286-L289 HydrophobicContact CD1-CD1 4.1Å; I286-L289 HydrophobicContact CG2-CB 4.12Å; I286-L289 HydrophobicContact CG2-CD1 3.9Å; D287-L289 VanDerWaalsContact C-N 3.27Å; D287-L289 PolarHBondContact O-N 3.23Å; L289-V293 PolarHBondContact N-O 2.93Å; L289-L295 HydrophobicContact CB-CB 4.3Å; L289-L295 HydrophobicContact CD2-CB 3.66Å; L289-L295 HydrophobicContact CD2-CD2 3.73Å; L289-L295 HydrophobicContact CD2-CG 4.3Å
290F97.1Very high97.1Very high30 Ų3055.1 Ų55.113%0.13231%0.313CS..EExtended strand (participates in β ladder)trans-151.2126-179.5-175.1-107000111.7F247 K253 I255 N258 A261 S288 G292 V293F247-F290 HydrophobicContact CE1-CB 4.11Å; F247-F290 HydrophobicContact CE1-CD1 4.25Å; F247-F290 HydrophobicContact CZ-CB 3.96Å; K253-F290 HydrophobicContact CB-CD1 3.99Å; K253-F290 HydrophobicContact CB-CE1 4.04Å; K253-F290 HydrophobicContact CD-CD1 3.99Å; K253-F290 HydrophobicContact CD-CE1 4.18Å; I255-F290 HydrophobicContact CG2-CB 3.51Å; I255-F290 HydrophobicContact CG2-CD1 3.91Å; I255-F290 HydrophobicContact CG2-CD2 4.13Å; I255-F290 HydrophobicContact CG2-CG 3.59Å; N258-F290 HydrophobicContact CB-CD2 3.94Å; N258-F290 HydrophobicContact CB-CE2 3.77Å; A261-F290 HydrophobicContact CB-CD2 4.39Å; S288-F290 VanDerWaalsContact C-N 3.31Å; S288-F290 PolarHBondContact O-N 2.71Å; F290-G292 VanDerWaalsContact C-N 3.3Å; F290-G292 PolarHBondContact O-N 2.89Å; F290-V293 PolarHBondContact N-O 2.91Å; F290-V293 WeakPolarHBondContact O-CB 3.49Å; F290-V293 PolarHBondContact O-N 2.89Å
291E94.9Very high97.1Very high131 Ų13153.9 Ų53.961%0.61230%0.295SS*.THydrogen-bonded Turntrans48.646178.2-64.2-179.5177.500114K253 V293K253-E291 HydrophobicContact CD-CB 4.4Å; K253-E291 WeakPolarHBondContact CD-OE2 3.49Å; K253-E291 WeakPolarHBondContact CE-OE2 3.35Å; K253-E291 VanDerWaalsContact NZ-CB 3.28Å; K253-E291 IonicContact NZ-OE2 2.7Å; K253-E291 PolarHBondContact NZ-OE2 2.93Å; E291-V293 PolarHBondContact O-N 3.43Å
292G95.2Very high97.1Very high54 Ų5452.2 Ų52.256%0.55730%0.299SS*.THydrogen-bonded Turntrans75.52.1179.400000115.1S288 F290S288-G292 WeakPolarHBondContact OG-CA 3.37Å; F290-G292 VanDerWaalsContact C-N 3.3Å; F290-G292 PolarHBondContact O-N 2.89Å
293V97Very high97.1Very high31 Ų3155.8 Ų55.819%0.18831%0.311CS..EExtended strand (participates in β ladder)trans-94.3125.8179.4-178.30000110F247 H251 K253 S288 L289 F290 E291F247-V293 HydrophobicContact CE2-CB 4.36Å; F247-V293 HydrophobicContact CE2-CG1 3.85Å; F247-V293 HydrophobicContact CZ-CB 3.94Å; F247-V293 HydrophobicContact CZ-CG1 3.81Å; H251-V293 HydrophobicContact CB-CG1 4.25Å; H251-V293 WeakPolarHBondContact ND1-CG1 3.48Å; K253-V293 HydrophobicContact CD-CG2 4.3Å; S288-V293 CarbonylContact C-O 3.58Å; L289-V293 PolarHBondContact N-O 2.93Å; F290-V293 PolarHBondContact N-O 2.91Å; F290-V293 WeakPolarHBondContact O-CB 3.49Å; F290-V293 PolarHBondContact O-N 2.89Å; E291-V293 PolarHBondContact O-N 3.43Å
294D97.2Very high97.2Very high64 Ų6452.5 Ų52.534%0.34229%0.287SS..EExtended strand (participates in β ladder)trans-77.1152.9175.4-50.6-34.7000111.6D287 S288 Y296D287-D294 WeakPolarHBondContact CA-OD1 3.09Å; S288-D294 PolarHBondContact N-OD1 3.48Å; D294-Y296 HydrophobicContact CB-CD2 3.66Å; D294-Y296 HydrophobicContact CB-CE2 3.26Å; D294-Y296 WeakPolarHBondContact OD2-CE2 3.29Å
295L97.2Very high97.2Very high2 Ų254.6 Ų54.61%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-112.5106.8164.6176.466.9000109F247 L265 I284 E285 I286 L289 T297F247-L295 HydrophobicContact CD2-CB 4.37Å; F247-L295 HydrophobicContact CD2-CD1 4.18Å; L265-L295 HydrophobicContact CD1-CD2 3.65Å; I284-L295 HydrophobicContact CG2-CD2 4.03Å; E285-L295 CarbonylContact C-O 3.56Å; E285-L295 WeakPolarHBondContact CA-O 3.28Å; I286-L295 HydrophobicContact CB-CB 4.47Å; I286-L295 HydrophobicContact CD1-CD2 4.32Å; I286-L295 PolarHBondContact N-O 2.88Å; I286-L295 PolarHBondContact O-N 3.03Å; L289-L295 HydrophobicContact CB-CB 4.3Å; L289-L295 HydrophobicContact CD2-CB 3.66Å; L289-L295 HydrophobicContact CD2-CD2 3.73Å; L289-L295 HydrophobicContact CD2-CG 4.3Å; L295-T297 HydrophobicContact CD1-CG2 3.99Å; L295-T297 HydrophobicContact CG-CG2 4.28Å
296Y96.6Very high97.3Very high124 Ų12454 Ų5449%0.48629%0.294SS..EExtended strand (participates in β ladder)trans-118.6110.6169.3-60.3-68000109.2I284 E285 D287 D294I284-Y296 WeakPolarHBondContact O-CA 3.47Å; E285-Y296 HydrophobicContact CB-CD1 3.79Å; E285-Y296 HydrophobicContact CB-CE1 3.99Å; E285-Y296 HydrophobicContact CG-CD1 3.92Å; E285-Y296 HydrophobicContact CG-CE1 4.49Å; D287-Y296 VanDerWaalsContact OD1-CZ 3.31Å; D287-Y296 PolarHBondContact OD1-OH 2.75Å; D294-Y296 HydrophobicContact CB-CD2 3.66Å; D294-Y296 HydrophobicContact CB-CE2 3.26Å; D294-Y296 WeakPolarHBondContact OD2-CE2 3.29Å
297T96.7Very high97.4Very high25 Ų2555 Ų5515%0.15330%0.3CS..EExtended strand (participates in β ladder)trans-151.4178.8180-165.20000110.3F243 E246 I284 L295F243-T297 HydrophobicContact CD1-CG2 3.76Å; F243-T297 HydrophobicContact CE1-CG2 3.38Å; F243-T297 HydrophobicContact CZ-CG2 4.2Å; E246-T297 PolarHBondContact OE1-OG1 3.42Å; I284-T297 HydrophobicContact CB-CG2 4.02Å; I284-T297 HydrophobicContact CG2-CG2 4.45Å; I284-T297 PolarHBondContact N-O 2.83Å; I284-T297 PolarHBondContact O-N 2.88Å; L295-T297 HydrophobicContact CD1-CG2 3.99Å; L295-T297 HydrophobicContact CG-CG2 4.28Å
298S97.3Very high97.5Very high54 Ų5450.5 Ų50.538%0.37828%0.275SS..EExtended strand (participates in β ladder)trans-144.2157.7174.168.20000110.9Q281 A282Q281-S298 PolarHBondContact NE2-OG 2.85Å; A282-S298 CarbonylContact O-C 3.51Å; A282-S298 VanDerWaalsContact O-CA 3.28Å; A282-S298 WeakPolarHBondContact O-CA 3.4Å; A282-S298 WeakPolarHBondContact O-CB 3.41Å
299I98.4Very high97.6Very high5 Ų549.8 Ų49.83%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-131.4138.9177.4-174.6163.8000110.2M239 F243 A272 L276 Q281 A282 I284 R303 F304 L307M239-I299 HydrophobicContact CE-CD1 4.15Å; M239-I299 HydrophobicContact CE-CG2 4.09Å; F243-I299 HydrophobicContact CE2-CD1 4.21Å; F243-I299 HydrophobicContact CZ-CB 3.96Å; F243-I299 HydrophobicContact CZ-CD1 4.15Å; F243-I299 HydrophobicContact CZ-CG2 4.28Å; A272-I299 HydrophobicContact CB-CG2 4.44Å; L276-I299 HydrophobicContact CD1-CG2 4.05Å; Q281-I299 CarbonylContact C-O 3.55Å; Q281-I299 VanDerWaalsContact CA-O 3.3Å; Q281-I299 WeakPolarHBondContact CA-O 3.48Å; Q281-I299 WeakPolarHBondContact CG-O 3.36Å; A282-I299 HydrophobicContact CB-CG2 4.48Å; A282-I299 PolarHBondContact N-O 2.99Å; A282-I299 PolarHBondContact O-N 2.84Å; I284-I299 HydrophobicContact CD1-CG2 4.31Å; I299-R303 HydrophobicContact CD1-CG 4.25Å; I299-R303 HydrophobicContact CG1-CB 4.03Å; I299-R303 HydrophobicContact CG1-CG 4.15Å; I299-F304 HydrophobicContact CD1-CB 4.23Å; I299-L307 HydrophobicContact CD1-CD1 4.14Å
300T98.7Very high97.6Very high62 Ų6253.4 Ų53.438%0.3829%0.29SS..EExtended strand (participates in β ladder)trans-89154.4173.266.50000110.5S280 Q281 A302 R303 F304S280-T300 CarbonylContact O-C 3.59Å; S280-T300 WeakPolarHBondContact O-CA 3.33Å; Q281-T300 HydrophobicContact CG-CG2 4.45Å; T300-A302 PolarHBondContact O-N 2.99Å; T300-R303 PolarHBondContact O-N 3.49Å; T300-R303 VanDerWaalsContact O-N 3.11Å; T300-R303 PolarHBondContact OG1-N 2.78Å; T300-F304 PolarHBondContact O-N 3.2Å
301R98.7Very high97.6Very high64 Ų6453.5 Ų53.524%0.24229%0.292CS..Hα-helixtrans-55.2-42.3173.1-175.5-172.4-63.5163-1110.9L276 S278 S279 S280 R303 F304 E305L276-R301 HydrophobicContact CD2-CB 4.24Å; L276-R301 PolarHBondContact O-NE 3.25Å; L276-R301 PolarHBondContact O-NH2 3.45Å; S278-R301 PolarHBondContact O-NH2 3.41Å; S278-R301 VanDerWaalsContact O-NH2 3.16Å; S279-R301 PolarHBondContact O-NE 2.98Å; S279-R301 PolarHBondContact O-NH2 3.25Å; S280-R301 PolarHBondContact O-N 2.91Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 2.88Å; R301-F304 PolarHBondContact O-N 3.21Å; R301-E305 WeakPolarHBondContact CD-OE1 3.47Å; R301-E305 HydrophobicContact CG-CG 4.27Å; R301-E305 WeakPolarHBondContact CG-OE1 3.5Å; R301-E305 WeakPolarHBondContact O-CB 3.49Å; R301-E305 VanDerWaalsContact O-CG 3.32Å; R301-E305 WeakPolarHBondContact O-CG 3.24Å; R301-E305 PolarHBondContact O-N 3.22Å
302A98.4Very high97.8Very high69 Ų6947.3 Ų47.357%0.5726%0.263SS*.Hα-helixtrans-58.4-42.3177.700000112.4T300 E305 E306T300-A302 PolarHBondContact O-N 2.99Å; A302-E305 PolarHBondContact O-N 3.11Å; A302-E306 WeakPolarHBondContact O-CB 3.4Å; A302-E306 PolarHBondContact O-N 3.44Å
303R98.5Very high97.8Very high81 Ų8153.1 Ų53.131%0.30627%0.268SS..Hα-helixtrans-68.3-41.3177.2-178.158.1178.9173.86.2112I299 T300 R301 E306 L307I299-R303 HydrophobicContact CD1-CG 4.25Å; I299-R303 HydrophobicContact CG1-CB 4.03Å; I299-R303 HydrophobicContact CG1-CG 4.15Å; T300-R303 PolarHBondContact O-N 3.49Å; T300-R303 VanDerWaalsContact O-N 3.11Å; T300-R303 PolarHBondContact OG1-N 2.78Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 2.88Å; R303-E306 WeakPolarHBondContact CD-OE2 3.45Å; R303-E306 IonicContact CZ-OE2 3.23Å; R303-E306 IonicContact NE-OE2 3.92Å; R303-E306 IonicContact NH1-OE1 2.75Å; R303-E306 PolarHBondContact NH1-OE1 2.87Å; R303-E306 IonicContact NH1-OE2 2.71Å; R303-E306 PolarHBondContact NH1-OE2 3.22Å; R303-E306 WeakPolarHBondContact O-CB 3.47Å; R303-E306 PolarHBondContact O-N 3.43Å; R303-L307 HydrophobicContact CG-CD1 4.37Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.38Å; R303-L307 PolarHBondContact O-N 2.92Å
304F98.7Very high97.8Very high4 Ų453.2 Ų53.22%0.01828%0.275CS..Hα-helixtrans-59.9-45.5173.5167.1-114.8000112F235 M239 K273 L276 I299 T300 R301 E306 L307 C308 F312 I345F235-F304 HydrophobicContact CB-CE2 4.1Å; F235-F304 HydrophobicContact CB-CZ 4.21Å; M239-F304 HydrophobicContact CG-CD2 3.81Å; M239-F304 HydrophobicContact CG-CE2 4.19Å; M239-F304 HydrophobicContact SD-CD2 3.51Å; M239-F304 VanDerWaalsContact SD-CD2 3.51Å; M239-F304 HydrophobicContact SD-CE2 3.77Å; M239-F304 HydrophobicContact SD-CG 4.43Å; K273-F304 HydrophobicContact CD-CE2 4.48Å; K273-F304 HydrophobicContact CD-CZ 4.19Å; K273-F304 HydrophobicContact CG-CE1 4.38Å; K273-F304 HydrophobicContact CG-CE2 4.11Å; K273-F304 HydrophobicContact CG-CZ 3.74Å; L276-F304 HydrophobicContact CD1-CB 3.54Å; L276-F304 HydrophobicContact CD1-CD1 4.2Å; L276-F304 HydrophobicContact CD1-CG 3.9Å; I299-F304 HydrophobicContact CD1-CB 4.23Å; T300-F304 PolarHBondContact O-N 3.2Å; R301-F304 PolarHBondContact O-N 3.21Å; F304-E306 VanDerWaalsContact C-N 3.32Å; F304-E306 PolarHBondContact O-N 2.92Å; F304-L307 PolarHBondContact O-N 3.12Å; F304-C308 VanDerWaalsContact CE2-SG 3.54Å; F304-C308 PolarHBondContact O-N 3.09Å; F304-C308 VanDerWaalsContact O-N 3.16Å; F304-F312 HydrophobicContact CE1-CE2 4.31Å; F304-F312 AromaticContact CE1-CZ 3.77Å; F304-F312 HydrophobicContact CE1-CZ 3.77Å; F304-F312 HydrophobicContact CE2-CZ 4.48Å; F304-F312 AromaticContact CZ-CZ 3.7Å; F304-F312 HydrophobicContact CZ-CZ 3.7Å; F304-I345 HydrophobicContact CE1-CD1 4.42Å; F304-I345 HydrophobicContact CE1-CG2 4.19Å; F304-I345 HydrophobicContact CZ-CD1 4.23Å
305E98.4Very high97.9Very high45 Ų4550.2 Ų50.221%0.2126%0.259CS..Hα-helixtrans-62.8-37.2177.2-71.6178.7-169.900112.7R301 A302 S309 F312 K347R301-E305 WeakPolarHBondContact CD-OE1 3.47Å; R301-E305 HydrophobicContact CG-CG 4.27Å; R301-E305 WeakPolarHBondContact CG-OE1 3.5Å; R301-E305 WeakPolarHBondContact O-CB 3.49Å; R301-E305 VanDerWaalsContact O-CG 3.32Å; R301-E305 WeakPolarHBondContact O-CG 3.24Å; R301-E305 PolarHBondContact O-N 3.22Å; A302-E305 PolarHBondContact O-N 3.11Å; E305-S309 VanDerWaalsContact O-CA 3.29Å; E305-S309 WeakPolarHBondContact O-CA 3.38Å; E305-S309 WeakPolarHBondContact O-CB 3.48Å; E305-S309 PolarHBondContact O-N 2.75Å; E305-F312 HydrophobicContact CG-CE2 4.33Å; E305-K347 HydrophobicContact CB-CG 4.5Å; E305-K347 HydrophobicContact CG-CB 3.78Å; E305-K347 HydrophobicContact CG-CG 4.04Å
306E98.3Very high97.9Very high112 Ų11251.9 Ų51.952%0.52327%0.268SS..Hα-helixtrans-62.8-49173.7-172.7-164.5163.700111.3A302 R303 F304 C308 S309A302-E306 WeakPolarHBondContact O-CB 3.4Å; A302-E306 PolarHBondContact O-N 3.44Å; R303-E306 WeakPolarHBondContact CD-OE2 3.45Å; R303-E306 IonicContact CZ-OE2 3.23Å; R303-E306 IonicContact NE-OE2 3.92Å; R303-E306 IonicContact NH1-OE1 2.75Å; R303-E306 PolarHBondContact NH1-OE1 2.87Å; R303-E306 IonicContact NH1-OE2 2.71Å; R303-E306 PolarHBondContact NH1-OE2 3.22Å; R303-E306 WeakPolarHBondContact O-CB 3.47Å; R303-E306 PolarHBondContact O-N 3.43Å; F304-E306 VanDerWaalsContact C-N 3.32Å; F304-E306 PolarHBondContact O-N 2.92Å; E306-C308 PolarHBondContact O-N 3.34Å; E306-S309 WeakPolarHBondContact O-CB 3.46Å; E306-S309 PolarHBondContact O-N 2.86Å; E306-S309 PolarHBondContact O-OG 2.78Å
307L98.4Very high97.9Very high33 Ų3352.9 Ų52.917%0.17328%0.277CS..Hα-helixtrans-61.1-27.2-179.3-71.7172.4000113.5R238 H242 I299 R303 F304R238-L307 HydrophobicContact CB-CB 4.39Å; R238-L307 PolarHBondContact NH1-O 3Å; H242-L307 HydrophobicContact CB-CD1 3.89Å; H242-L307 HydrophobicContact CB-CD2 4.23Å; I299-L307 HydrophobicContact CD1-CD1 4.14Å; R303-L307 HydrophobicContact CG-CD1 4.37Å; R303-L307 VanDerWaalsContact O-CG 3.26Å; R303-L307 WeakPolarHBondContact O-CG 3.38Å; R303-L307 PolarHBondContact O-N 2.92Å; F304-L307 PolarHBondContact O-N 3.12Å
308C98.4Very high97.9Very high0 Ų052.4 Ų52.40%027%0.274CS..THydrogen-bonded Turntrans-111.710.2-178.1-55.60000113.1F235 F304 E306 D310 L311 F312F235-C308 HydrophobicContact CD1-CB 4.33Å; F304-C308 VanDerWaalsContact CE2-SG 3.54Å; F304-C308 PolarHBondContact O-N 3.09Å; F304-C308 VanDerWaalsContact O-N 3.16Å; E306-C308 PolarHBondContact O-N 3.34Å; C308-D310 VanDerWaalsContact C-N 3.31Å; C308-D310 PolarHBondContact O-N 3.48Å; C308-L311 PolarHBondContact O-N 2.79Å; C308-L311 VanDerWaalsContact O-N 3.13Å; C308-F312 HydrophobicContact CB-CD1 4Å; C308-F312 HydrophobicContact CB-CD2 4.1Å; C308-F312 HydrophobicContact CB-CE1 3.57Å; C308-F312 HydrophobicContact CB-CE2 3.7Å; C308-F312 HydrophobicContact CB-CG 4.26Å; C308-F312 HydrophobicContact CB-CZ 3.41Å; C308-F312 VanDerWaalsContact CB-CZ 3.41Å; C308-F312 VanDerWaalsContact O-CG 3.29Å; C308-F312 WeakPolarHBondContact O-CG 3.34Å; C308-F312 PolarHBondContact O-N 3.21Å
309S97.8Very high97.9Very high49 Ų4949.9 Ų49.934%0.34326%0.256SS..Hα-helixtrans-60.2-37.3-167.658.20000114.1E305 E306 R313E305-S309 VanDerWaalsContact O-CA 3.29Å; E305-S309 WeakPolarHBondContact O-CA 3.38Å; E305-S309 WeakPolarHBondContact O-CB 3.48Å; E305-S309 PolarHBondContact O-N 2.75Å; E306-S309 WeakPolarHBondContact O-CB 3.46Å; E306-S309 PolarHBondContact O-N 2.86Å; E306-S309 PolarHBondContact O-OG 2.78Å; S309-R313 WeakPolarHBondContact O-CB 3.4Å; S309-R313 VanDerWaalsContact O-CG 3.25Å; S309-R313 WeakPolarHBondContact O-CG 3.37Å; S309-R313 PolarHBondContact O-N 3.39Å; S309-R313 VanDerWaalsContact O-N 3.11Å
310D97.3Very high97.9Very high82 Ų8254.2 Ų54.244%0.43928%0.277SS..Hα-helixtrans-67.5-46.717559.6-52.4000111.7R238 C308 F312 R313 G314R238-D310 IonicContact CZ-OD1 3.84Å; R238-D310 IonicContact CZ-OD2 2.9Å; R238-D310 IonicContact NH1-OD1 2.65Å; R238-D310 PolarHBondContact NH1-OD1 3.46Å; R238-D310 IonicContact NH1-OD2 3.91Å; R238-D310 PolarHBondContact NH1-OD2 3.42Å; R238-D310 IonicContact NH2-OD1 2.73Å; R238-D310 IonicContact NH2-OD2 2.72Å; R238-D310 PolarHBondContact NH2-OD2 2.82Å; C308-D310 VanDerWaalsContact C-N 3.31Å; C308-D310 PolarHBondContact O-N 3.48Å; D310-F312 PolarHBondContact O-N 2.72Å; D310-R313 PolarHBondContact O-N 3.07Å; D310-G314 PolarHBondContact O-N 2.78Å
311L97.6Very high97.7Very high32 Ų3254.3 Ų54.317%0.16827%0.272CS..Hα-helixtrans-63.6-42.6178.5-60.1179.3000111.5L230 D234 F235 R238 C308 G314 T315L230-L311 HydrophobicContact CD1-CB 4.14Å; L230-L311 HydrophobicContact CD1-CD2 4.09Å; D234-L311 HydrophobicContact CB-CD1 4.02Å; F235-L311 HydrophobicContact CD1-CB 4.31Å; F235-L311 HydrophobicContact CD1-CD1 3.86Å; F235-L311 HydrophobicContact CE1-CB 3.8Å; F235-L311 HydrophobicContact CE1-CD1 4.05Å; R238-L311 HydrophobicContact CG-CD1 4.13Å; R238-L311 VanDerWaalsContact NH2-CG 3.33Å; C308-L311 PolarHBondContact O-N 2.79Å; C308-L311 VanDerWaalsContact O-N 3.13Å; L311-G314 PolarHBondContact O-N 2.86Å; L311-T315 PolarHBondContact O-N 2.94Å
312F98.4Very high97.6Very high1 Ų151.3 Ų51.30%0.00426%0.26CS..Hα-helixtrans-63.6-43177.8-65.7-13.1000112F235 F304 E305 C308 D310 G314 T315 I345 K347 I348 L351F235-F312 HydrophobicContact CD1-CD1 4.25Å; F235-F312 AromaticContact CD1-CE1 3.67Å; F235-F312 HydrophobicContact CD1-CE1 3.67Å; F235-F312 HydrophobicContact CD2-CE1 4.01Å; F235-F312 AromaticContact CE1-CD1 3.76Å; F235-F312 HydrophobicContact CE1-CD1 3.76Å; F235-F312 AromaticContact CE1-CE1 3.58Å; F235-F312 HydrophobicContact CE1-CE1 3.58Å; F235-F312 AromaticContact CE2-CE1 3.92Å; F235-F312 HydrophobicContact CE2-CE1 3.92Å; F235-F312 AromaticContact CG-CE1 3.91Å; F235-F312 HydrophobicContact CG-CE1 3.91Å; F235-F312 AromaticContact CZ-CD1 3.92Å; F235-F312 HydrophobicContact CZ-CD1 3.92Å; F235-F312 AromaticContact CZ-CE1 3.72Å; F235-F312 HydrophobicContact CZ-CE1 3.72Å; F304-F312 HydrophobicContact CE1-CE2 4.31Å; F304-F312 AromaticContact CE1-CZ 3.77Å; F304-F312 HydrophobicContact CE1-CZ 3.77Å; F304-F312 HydrophobicContact CE2-CZ 4.48Å; F304-F312 AromaticContact CZ-CZ 3.7Å; F304-F312 HydrophobicContact CZ-CZ 3.7Å; E305-F312 HydrophobicContact CG-CE2 4.33Å; C308-F312 HydrophobicContact CB-CD1 4Å; C308-F312 HydrophobicContact CB-CD2 4.1Å; C308-F312 HydrophobicContact CB-CE1 3.57Å; C308-F312 HydrophobicContact CB-CE2 3.7Å; C308-F312 HydrophobicContact CB-CG 4.26Å; C308-F312 HydrophobicContact CB-CZ 3.41Å; C308-F312 VanDerWaalsContact CB-CZ 3.41Å; C308-F312 VanDerWaalsContact O-CG 3.29Å; C308-F312 WeakPolarHBondContact O-CG 3.34Å; C308-F312 PolarHBondContact O-N 3.21Å; D310-F312 PolarHBondContact O-N 2.72Å; F312-G314 VanDerWaalsContact C-N 3.33Å; F312-T315 PolarHBondContact O-N 2.91Å; F312-T315 PolarHBondContact O-OG1 2.97Å; F312-I345 HydrophobicContact CE1-CD1 4.24Å; F312-I345 HydrophobicContact CE2-CG2 4.28Å; F312-I345 HydrophobicContact CZ-CD1 4.28Å; F312-I345 HydrophobicContact CZ-CG2 4.01Å; F312-K347 HydrophobicContact CD2-CB 4.02Å; F312-K347 HydrophobicContact CD2-CG 3.66Å; F312-K347 HydrophobicContact CE2-CB 4.08Å; F312-K347 HydrophobicContact CE2-CG 4.16Å; F312-I348 HydrophobicContact CB-CD1 3.92Å; F312-I348 HydrophobicContact CD1-CD1 3.59Å; F312-I348 HydrophobicContact CD1-CG1 4.23Å; F312-I348 HydrophobicContact CE1-CD1 4.27Å; F312-I348 HydrophobicContact CE1-CG1 4.47Å; F312-I348 HydrophobicContact CG-CD1 3.86Å; F312-L351 HydrophobicContact CB-CD1 3.8Å
313R96.9Very high97.5Very high176 Ų17648.4 Ų48.466%0.66424%0.235SC*.Hα-helixtrans-67.2-35.7175.8-73.6175.2-175-169.93.4112.1S309 D310 T315 L316S309-R313 WeakPolarHBondContact O-CB 3.4Å; S309-R313 VanDerWaalsContact O-CG 3.25Å; S309-R313 WeakPolarHBondContact O-CG 3.37Å; S309-R313 PolarHBondContact O-N 3.39Å; S309-R313 VanDerWaalsContact O-N 3.11Å; D310-R313 PolarHBondContact O-N 3.07Å; R313-T315 PolarHBondContact O-N 3.31Å; R313-T315 VanDerWaalsContact O-N 3.16Å; R313-L316 PolarHBondContact O-N 2.89Å
314G96.7Very high97.5Very high33 Ų3352.5 Ų52.534%0.3425%0.251SS..Hα-helixtrans-55.6-29.3176.100000113.1D310 L311 F312 L316 E317 P318D310-G314 PolarHBondContact O-N 2.78Å; L311-G314 PolarHBondContact O-N 2.86Å; F312-G314 VanDerWaalsContact C-N 3.33Å; G314-L316 PolarHBondContact O-N 2.86Å; G314-L316 VanDerWaalsContact O-N 3.16Å; G314-E317 PolarHBondContact O-N 3.28Å; G314-P318 WeakPolarHBondContact O-CD 3.38Å
315T97.9Very high97.2Very high1 Ų154.8 Ų54.81%0.00626%0.263CS..THydrogen-bonded Turntrans-62.9-20.817768.50000114.4F200 L202 F207 L230 L311 F312 R313 V319 I348F200-T315 HydrophobicContact CZ-CG2 4.41Å; L202-T315 HydrophobicContact CD1-CG2 4.48Å; L202-T315 HydrophobicContact CD2-CG2 4.42Å; F207-T315 HydrophobicContact CD1-CG2 4.48Å; F207-T315 HydrophobicContact CE1-CG2 4.29Å; F207-T315 VanDerWaalsContact CE1-O 3.23Å; F207-T315 WeakPolarHBondContact CE1-O 3.35Å; F207-T315 HydrophobicContact CZ-CG2 4.41Å; F207-T315 VanDerWaalsContact CZ-O 3.24Å; F207-T315 WeakPolarHBondContact CZ-O 3.4Å; L230-T315 HydrophobicContact CD2-CG2 3.99Å; L311-T315 PolarHBondContact O-N 2.94Å; F312-T315 PolarHBondContact O-N 2.91Å; F312-T315 PolarHBondContact O-OG1 2.97Å; R313-T315 PolarHBondContact O-N 3.31Å; R313-T315 VanDerWaalsContact O-N 3.16Å; T315-V319 WeakPolarHBondContact O-CG2 3.39Å; T315-I348 HydrophobicContact CG2-CD1 4.18Å
316L98.1Very high97.1Very high37 Ų3753.4 Ų53.419%0.19426%0.259CS..Hα-helixtrans-79.2-23.7-179.2-63.1-178.9000113.3R313 G314 V319 E320 L351 F355R313-L316 PolarHBondContact O-N 2.89Å; G314-L316 PolarHBondContact O-N 2.86Å; G314-L316 VanDerWaalsContact O-N 3.16Å; L316-V319 WeakPolarHBondContact O-CB 3.44Å; L316-V319 PolarHBondContact O-N 3.43Å; L316-E320 PolarHBondContact O-N 3.02Å; L316-L351 HydrophobicContact CD1-CB 4.45Å; L316-L351 HydrophobicContact CD2-CB 4.47Å; L316-F355 HydrophobicContact CD1-CD2 4.42Å; L316-F355 HydrophobicContact CD2-CB 4.02Å; L316-F355 HydrophobicContact CD2-CD2 4.24Å; L316-F355 HydrophobicContact CD2-CG 4.21Å
317E96.6Very high97Very high145 Ų14556.9 Ų56.968%0.67827%0.273SS*.Hα-helixtrans-65.2-47.6179.8172.4-178.8-176.800111.6G314 V319 E320 K321G314-E317 PolarHBondContact O-N 3.28Å; E317-V319 VanDerWaalsContact C-N 3.27Å; E317-V319 PolarHBondContact O-N 3.47Å; E317-E320 PolarHBondContact O-N 2.97Å; E317-K321 WeakPolarHBondContact O-CB 3.37Å; E317-K321 PolarHBondContact O-N 3.14Å
318P96Very high97Very high16 Ų1656.4 Ų56.410%0.10427%0.27CS..Hα-helixtrans-60.6-33.4172.4-29.239000113.8F207 V209 A225 G314 K321 A322F207-P318 HydrophobicContact CD1-CB 4.38Å; F207-P318 HydrophobicContact CD1-CG 4.05Å; F207-P318 HydrophobicContact CE1-CB 3.71Å; F207-P318 HydrophobicContact CE1-CG 3.63Å; F207-P318 HydrophobicContact CZ-CB 4.46Å; V209-P318 HydrophobicContact CG2-CB 4.22Å; A225-P318 HydrophobicContact CB-CB 4.12Å; G314-P318 WeakPolarHBondContact O-CD 3.38Å; P318-K321 PolarHBondContact O-N 2.94Å; P318-A322 WeakPolarHBondContact O-CB 2.74Å; P318-A322 PolarHBondContact O-N 2.91Å
319V97.9Very high96.9Very high0 Ų062.3 Ų62.30%030%0.301CS..Hα-helixtrans-63.3-48.2174.9178.90000111L198 F200 F207 V209 T315 L316 E317 K321 A322 L323 L352 F355 F356L198-V319 HydrophobicContact CD1-CG1 3.91Å; F200-V319 HydrophobicContact CD2-CG2 3.76Å; F200-V319 HydrophobicContact CE2-CG2 3.76Å; F207-V319 HydrophobicContact CZ-CG2 4.48Å; V209-V319 HydrophobicContact CG1-CG2 4.27Å; V209-V319 HydrophobicContact CG2-CG2 3.77Å; T315-V319 WeakPolarHBondContact O-CG2 3.39Å; L316-V319 WeakPolarHBondContact O-CB 3.44Å; L316-V319 PolarHBondContact O-N 3.43Å; E317-V319 VanDerWaalsContact C-N 3.27Å; E317-V319 PolarHBondContact O-N 3.47Å; V319-K321 VanDerWaalsContact C-N 3.34Å; V319-K321 PolarHBondContact O-N 3.34Å; V319-A322 PolarHBondContact O-N 2.93Å; V319-L323 HydrophobicContact CG1-CD1 4.47Å; V319-L323 WeakPolarHBondContact O-CG 3.25Å; V319-L323 PolarHBondContact O-N 3.47Å; V319-L323 VanDerWaalsContact O-N 3.11Å; V319-L352 HydrophobicContact CG1-CD1 4.42Å; V319-L352 HydrophobicContact CG2-CD1 4.17Å; V319-F355 HydrophobicContact CB-CE1 4.47Å; V319-F355 HydrophobicContact CG1-CD1 3.97Å; V319-F355 HydrophobicContact CG1-CE1 3.49Å; V319-F355 VanDerWaalsContact CG1-CE1 3.49Å; V319-F355 HydrophobicContact CG1-CZ 4.01Å; V319-F356 HydrophobicContact CG1-CE2 3.99Å; V319-F356 HydrophobicContact CG1-CZ 4.1Å
320E97.5Very high96.8Very high96 Ų9663.3 Ų63.345%0.44930%0.3SS..Hα-helixtrans-63.3-41.9177.4-169.7-174.7154.400111.8L316 E317 L323 R324 F355L316-E320 PolarHBondContact O-N 3.02Å; E317-E320 PolarHBondContact O-N 2.97Å; E320-L323 PolarHBondContact O-N 3.34Å; E320-R324 WeakPolarHBondContact O-CB 3.22Å; E320-R324 PolarHBondContact O-N 3.01Å; E320-R324 IonicContact OE1-CZ 3.51Å; E320-R324 IonicContact OE1-NH2 3.39Å; E320-R324 PolarHBondContact OE1-NH2 3.1Å; E320-F355 HydrophobicContact CB-CE2 4.41Å; E320-F355 HydrophobicContact CB-CZ 4.18Å
321K94.9Very high96.7Very high65 Ų6562.4 Ų62.428%0.28331%0.309SS..Hα-helixtrans-60.2-49.3176.8-176176.4174.5-169.10111.3Y151 A225 E317 P318 V319 L323 R324 D325 R418Y151-K321 PolarHBondContact OH-NZ 2.87Å; A225-K321 HydrophobicContact CB-CB 4.27Å; A225-K321 HydrophobicContact CB-CD 4.09Å; A225-K321 HydrophobicContact CB-CG 4.18Å; E317-K321 WeakPolarHBondContact O-CB 3.37Å; E317-K321 PolarHBondContact O-N 3.14Å; P318-K321 PolarHBondContact O-N 2.94Å; V319-K321 VanDerWaalsContact C-N 3.34Å; V319-K321 PolarHBondContact O-N 3.34Å; K321-L323 PolarHBondContact O-N 2.85Å; K321-R324 PolarHBondContact O-N 3.02Å; K321-D325 WeakPolarHBondContact CG-OD2 3.3Å; K321-D325 WeakPolarHBondContact O-CB 3.21Å; K321-D325 PolarHBondContact O-N 2.92Å; K321-D325 VanDerWaalsContact O-OD2 3.07Å; K321-R418 VanDerWaalsContact CE-CZ 3.44Å
322A95.9Very high96.7Very high0 Ų065 Ų650%032%0.321CS..Hα-helixtrans-60.3-43.417900000112.3V209 V211 A223 A225 P318 V319 D325 A326V209-A322 HydrophobicContact CB-CB 4.41Å; V209-A322 HydrophobicContact CG1-CB 3.92Å; V211-A322 HydrophobicContact CG2-CB 4.1Å; A223-A322 VanDerWaalsContact CB-O 3.32Å; A223-A322 WeakPolarHBondContact CB-O 3.49Å; A225-A322 HydrophobicContact CB-CB 4.22Å; P318-A322 WeakPolarHBondContact O-CB 2.74Å; P318-A322 PolarHBondContact O-N 2.91Å; V319-A322 PolarHBondContact O-N 2.93Å; A322-D325 PolarHBondContact O-N 2.81Å; A322-A326 VanDerWaalsContact O-CB 3.26Å; A322-A326 WeakPolarHBondContact O-CB 3.46Å; A322-A326 PolarHBondContact O-N 3.46Å
323L97.9Very high96.6Very high8 Ų865 Ų654%0.04232%0.32CS..Hα-helixtrans-62.1-45.4175.5-72.6176.6000112.5L198 V211 V319 E320 K321 D325 A326 K327 M328 K330 I333 F355 F356L198-L323 HydrophobicContact CD1-CD2 4.34Å; L198-L323 HydrophobicContact CD1-CG 4.49Å; V211-L323 HydrophobicContact CG2-CD2 4.13Å; V319-L323 HydrophobicContact CG1-CD1 4.47Å; V319-L323 WeakPolarHBondContact O-CG 3.25Å; V319-L323 PolarHBondContact O-N 3.47Å; V319-L323 VanDerWaalsContact O-N 3.11Å; E320-L323 PolarHBondContact O-N 3.34Å; K321-L323 PolarHBondContact O-N 2.85Å; L323-D325 VanDerWaalsContact C-N 3.35Å; L323-D325 PolarHBondContact O-N 2.84Å; L323-A326 CarbonylContact O-C 3.57Å; L323-A326 PolarHBondContact O-N 3.26Å; L323-K327 PolarHBondContact O-N 2.99Å; L323-M328 PolarHBondContact O-N 3.33Å; L323-K330 HydrophobicContact CD1-CG 3.95Å; L323-I333 HydrophobicContact CD2-CD1 3.65Å; L323-I333 HydrophobicContact CD2-CG1 3.59Å; L323-F355 HydrophobicContact CD1-CE1 3.74Å; L323-F355 HydrophobicContact CD1-CZ 4.18Å; L323-F356 HydrophobicContact CD1-CE1 4.2Å; L323-F356 HydrophobicContact CD1-CZ 4.07Å
324R97.1Very high96.6Very high168 Ų16860.3 Ų60.363%0.63431%0.306SS*.Hα-helixtrans-61.2-44.7178.8-173.1-172-55.1-146.71.5111.6E320 K321 K327E320-R324 WeakPolarHBondContact O-CB 3.22Å; E320-R324 PolarHBondContact O-N 3.01Å; E320-R324 IonicContact OE1-CZ 3.51Å; E320-R324 IonicContact OE1-NH2 3.39Å; E320-R324 PolarHBondContact OE1-NH2 3.1Å; K321-R324 PolarHBondContact O-N 3.02Å; R324-K327 PolarHBondContact O-N 3.47Å; R324-K327 VanDerWaalsContact O-N 3.09Å
325D93.5Very high96.5Very high52 Ų5259.8 Ų59.828%0.27830%0.295SS..Hα-helixtrans-69.4-36.9179.8-66.2-36.3000112.1A223 K321 A322 L323 K327 R418 N419A223-D325 HydrophobicContact CB-CB 3.69Å; K321-D325 WeakPolarHBondContact CG-OD2 3.3Å; K321-D325 WeakPolarHBondContact O-CB 3.21Å; K321-D325 PolarHBondContact O-N 2.92Å; K321-D325 VanDerWaalsContact O-OD2 3.07Å; A322-D325 PolarHBondContact O-N 2.81Å; L323-D325 VanDerWaalsContact C-N 3.35Å; L323-D325 PolarHBondContact O-N 2.84Å; D325-K327 PolarHBondContact O-N 2.97Å; D325-R418 IonicContact OD1-NH1 2.67Å; D325-R418 PolarHBondContact OD1-NH1 3.27Å; D325-R418 IonicContact OD2-CZ 2.77Å; D325-R418 IonicContact OD2-NH1 3.02Å; D325-R418 PolarHBondContact OD2-NH1 3.21Å; D325-R418 IonicContact OD2-NH2 3.71Å; D325-R418 PolarHBondContact OD2-NH2 3.13Å; D325-N419 WeakPolarHBondContact CB-ND2 3.29Å
326A96.1Very high96.5Very high15 Ų1559.7 Ų59.712%0.12430%0.295CS..Hα-helixtrans-69.2-10.8171.400000112.8V211 K222 A223 A322 L323 M328V211-A326 HydrophobicContact CB-CB 4.03Å; V211-A326 HydrophobicContact CG1-CB 3.9Å; V211-A326 HydrophobicContact CG2-CB 4.41Å; K222-A326 HydrophobicContact CB-CB 3.91Å; A223-A326 HydrophobicContact CB-CB 3.91Å; A322-A326 VanDerWaalsContact O-CB 3.26Å; A322-A326 WeakPolarHBondContact O-CB 3.46Å; A322-A326 PolarHBondContact O-N 3.46Å; L323-A326 CarbonylContact O-C 3.57Å; L323-A326 PolarHBondContact O-N 3.26Å; A326-M328 HydrophobicContact CB-CB 4.36Å; A326-M328 HydrophobicContact CB-CG 4.18Å; A326-M328 HydrophobicContact CB-SD 4.36Å; A326-M328 PolarHBondContact O-N 3.45Å
327K96.8Very high96.4Very high185 Ų18558 Ų5880%0.80429%0.286SS*.THydrogen-bonded Turntrans55.141.1-173.3-54.3174.9-175.8171.70111.9L323 R324 D325L323-K327 PolarHBondContact O-N 2.99Å; R324-K327 PolarHBondContact O-N 3.47Å; R324-K327 VanDerWaalsContact O-N 3.09Å; D325-K327 PolarHBondContact O-N 2.97Å
328M97.3Very high96.5Very high24 Ų2451.5 Ų51.512%0.11826%0.256CS..  trans-120.1132.6-179-70.4-177.1-179.800110.9N196 V211 K222 L323 A326 I333N196-M328 HydrophobicContact CB-CE 4.43Å; N196-M328 HydrophobicContact CB-SD 4.05Å; N196-M328 WeakPolarHBondContact OD1-CE 3.2Å; V211-M328 HydrophobicContact CG1-SD 3.7Å; K222-M328 HydrophobicContact CG-CE 4Å; L323-M328 PolarHBondContact O-N 3.33Å; A326-M328 HydrophobicContact CB-CB 4.36Å; A326-M328 HydrophobicContact CB-CG 4.18Å; A326-M328 HydrophobicContact CB-SD 4.36Å; A326-M328 PolarHBondContact O-N 3.45Å; M328-I333 HydrophobicContact SD-CD1 4.31Å
329D96.3Very high96.5Very high123 Ų12350.8 Ų50.866%0.65825%0.251SS*.  trans-77156.3168.6-70.9-40.4000111G331 Q332D329-G331 PolarHBondContact O-N 3.3Å; D329-Q332 WeakPolarHBondContact O-CB 3.44Å; D329-Q332 PolarHBondContact O-N 2.92Å
330K96.1Very high96.5Very high71 Ų7151.2 Ų51.231%0.30926%0.256SS..G310 helixtrans-53.4-31178.4-61.5175.8176.7-166.40113.7L323 Q332 F355 F356L323-K330 HydrophobicContact CD1-CG 3.95Å; K330-Q332 VanDerWaalsContact C-N 3.29Å; K330-Q332 PolarHBondContact O-N 3.26Å; K330-F355 HydrophobicContact CD-CD1 4.44Å; K330-F355 HydrophobicContact CD-CE1 4.19Å; K330-F355 VanDerWaalsContact CD-O 3.27Å; K330-F355 WeakPolarHBondContact CD-O 3.46Å; K330-F355 VanDerWaalsContact CE-CE1 3.42Å; K330-F355 WeakPolarHBondContact CE-O 3.33Å; K330-F355 HydrophobicContact CG-CE1 4.28Å; K330-F355 PolarHBondContact NZ-O 2.91Å; K330-F356 HydrophobicContact CB-CD1 4.07Å; K330-F356 HydrophobicContact CB-CE1 4.18Å; K330-F356 HydrophobicContact CG-CD1 4.42Å; K330-F356 HydrophobicContact CG-CE1 4.3Å
331G95.9Very high96.4Very high62 Ų6248.2 Ų48.264%0.63925%0.251SS*.G310 helixtrans-69.2-24.8178.800000113.8D329D329-G331 PolarHBondContact O-N 3.3Å
332Q96.5Very high96.6Very high87 Ų8745.6 Ų45.641%0.40724%0.24SC..G310 helixtrans-84.1-16.8-177.5-63.1176.8-9200113.4N196 D329 K330 H334N196-Q332 WeakPolarHBondContact CB-O 3.31Å; N196-Q332 PolarHBondContact ND2-O 3.38Å; D329-Q332 WeakPolarHBondContact O-CB 3.44Å; D329-Q332 PolarHBondContact O-N 2.92Å; K330-Q332 VanDerWaalsContact C-N 3.29Å; K330-Q332 PolarHBondContact O-N 3.26Å; Q332-H334 PolarHBondContact O-CE1 2.98Å; Q332-H334 PolarHBondContact O-ND1 2.73Å
333I97.4Very high96.7Very high0 Ų045.7 Ų45.70%024%0.241CC..  trans-71129.6171-57.2-54.5000107.9N196 L198 V211 L323 M328 D335 V336 F356 R359N196-I333 HydrophobicContact CB-CD1 4.37Å; L198-I333 HydrophobicContact CB-CG2 3.95Å; V211-I333 HydrophobicContact CG1-CD1 3.87Å; L323-I333 HydrophobicContact CD2-CD1 3.65Å; L323-I333 HydrophobicContact CD2-CG1 3.59Å; M328-I333 HydrophobicContact SD-CD1 4.31Å; I333-D335 VanDerWaalsContact CG2-O 3.28Å; I333-D335 WeakPolarHBondContact CG2-O 3.39Å; I333-V336 HydrophobicContact CG2-CG2 4.02Å; I333-F356 HydrophobicContact CB-CE1 4.2Å; I333-F356 HydrophobicContact CG1-CE1 4.02Å; I333-F356 HydrophobicContact CG2-CE1 4.45Å; I333-R359 PolarHBondContact O-NH1 3.34Å; I333-R359 PolarHBondContact O-NH2 3.42Å
334H95.2Very high96.7Very high79 Ų7950.8 Ų50.837%0.36626%0.259SS..  trans-91.3-44.6179.6-61.782.9000110.9N196 Q332 R359N196-H334 PolarHBondContact N-ND1 2.65Å; N196-H334 WeakPolarHBondContact O-CB 3.05Å; N196-H334 PolarHBondContact O-N 2.84Å; N196-H334 PolarHBondContact O-ND1 3.12Å; Q332-H334 PolarHBondContact O-CE1 2.98Å; Q332-H334 PolarHBondContact O-ND1 2.73Å; H334-R359 VanDerWaalsContact C-NH1 3.33Å; H334-R359 PolarHBondContact O-NH1 2.95Å
335D95.5Very high96.7Very high21 Ų2143 Ų4311%0.11223%0.23CC..EExtended strand (participates in β ladder)trans-131.2141-178.2-70.6-93.2000110.8Y185 R195 V197 L198 I333 V337 N362Y185-D335 HydrophobicContact CE2-CB 4.46Å; Y185-D335 PolarHBondContact OH-OD1 2.98Å; Y185-D335 PolarHBondContact OH-OD2 3.25Å; R195-D335 IonicContact CZ-OD2 3.6Å; R195-D335 IonicContact NE-OD2 3.66Å; R195-D335 PolarHBondContact NE-OD2 2.79Å; R195-D335 IonicContact NH2-OD2 3.96Å; R195-D335 PolarHBondContact NH2-OD2 3.43Å; V197-D335 WeakPolarHBondContact CA-O 3.22Å; V197-D335 HydrophobicContact CG1-CB 4.19Å; V197-D335 HydrophobicContact CG2-CB 4.33Å; L198-D335 PolarHBondContact N-O 3.32Å; I333-D335 VanDerWaalsContact CG2-O 3.28Å; I333-D335 WeakPolarHBondContact CG2-O 3.39Å; D335-V337 HydrophobicContact CB-CG2 4.36Å; D335-N362 HydrophobicContact CB-CB 4.48Å; D335-N362 PolarHBondContact OD1-ND2 2.84Å
336V97.5Very high96.9Very high0 Ų042.3 Ų42.30%023%0.229CC..EExtended strand (participates in β ladder)trans-114104.8170.41800000107.2L198 I333 L352 F356 L361 N362L198-V336 HydrophobicContact CD2-CG1 4.05Å; L198-V336 CarbonylContact O-C 3.54Å; L198-V336 WeakPolarHBondContact O-CA 3.26Å; I333-V336 HydrophobicContact CG2-CG2 4.02Å; V336-L352 HydrophobicContact CG1-CD2 3.5Å; V336-L352 HydrophobicContact CG1-CG 4.02Å; V336-F356 HydrophobicContact CG1-CE2 4.47Å; V336-F356 HydrophobicContact CG2-CD1 4.3Å; V336-F356 HydrophobicContact CG2-CD2 3.83Å; V336-F356 HydrophobicContact CG2-CE1 4.36Å; V336-F356 HydrophobicContact CG2-CE2 3.89Å; V336-F356 HydrophobicContact CG2-CG 4.07Å; V336-F356 HydrophobicContact CG2-CZ 4.18Å; V336-L361 HydrophobicContact CB-CD2 3.97Å; V336-L361 HydrophobicContact CG1-CD2 3.8Å; V336-N362 WeakPolarHBondContact O-CB 3.4Å; V336-N362 PolarHBondContact O-N 2.91Å
337V97.3Very high97.1Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-98.1132.2-172.8-179.10000109.6Y185 V197 L198 I199 F200 D335 V339 N362 I365Y185-V337 HydrophobicContact CD2-CG1 4.44Å; Y185-V337 HydrophobicContact CD2-CG2 3.56Å; Y185-V337 HydrophobicContact CE2-CG2 3.8Å; Y185-V337 HydrophobicContact CG-CG2 3.98Å; V197-V337 HydrophobicContact CG1-CB 4.47Å; V197-V337 HydrophobicContact CG1-CG2 3.6Å; L198-V337 PolarHBondContact O-N 2.88Å; I199-V337 HydrophobicContact CD1-CB 3.74Å; I199-V337 HydrophobicContact CD1-CG1 4.15Å; I199-V337 HydrophobicContact CD1-CG2 4.11Å; F200-V337 PolarHBondContact N-O 2.78Å; D335-V337 HydrophobicContact CB-CG2 4.36Å; V337-V339 HydrophobicContact CG1-CG2 4.42Å; V337-N362 HydrophobicContact CG2-CB 4.11Å; V337-I365 HydrophobicContact CG1-CD1 3.3Å; V337-I365 HydrophobicContact CG1-CG1 3.85Å
338L97.7Very high97.1Very high10 Ų1036.3 Ų36.35%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-98.2129.9-179.1-60.8-179.4000111.5F200 T343 Q349 L352 L361F200-L338 HydrophobicContact CB-CD2 4.22Å; F200-L338 HydrophobicContact CD1-CD2 4.21Å; F200-L338 HydrophobicContact CG-CD2 4.48Å; L338-T343 HydrophobicContact CB-CG2 4.29Å; L338-T343 HydrophobicContact CD2-CG2 4.34Å; L338-Q349 HydrophobicContact CD1-CG 3.89Å; L338-L352 HydrophobicContact CD2-CD2 3.72Å; L338-L361 HydrophobicContact CD1-CB 4.17Å; L338-L361 HydrophobicContact CD1-CD1 3.87Å; L338-L361 HydrophobicContact CD2-CD1 4.24Å; L338-L361 HydrophobicContact CG-CB 4.39Å; L338-L361 HydrophobicContact CG-CD1 4.39Å
339V97.1Very high97.2Very high1 Ų136.7 Ų36.71%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-132.8149.1179-173.20000109.1A181 I199 F200 D201 L202 V337 T343 I365 V371A181-V339 HydrophobicContact CB-CB 4.36Å; A181-V339 HydrophobicContact CB-CG1 4.02Å; A181-V339 HydrophobicContact CB-CG2 3.47Å; A181-V339 VanDerWaalsContact CB-CG2 3.47Å; I199-V339 HydrophobicContact CG2-CG2 3.73Å; F200-V339 PolarHBondContact O-N 3.48Å; D201-V339 WeakPolarHBondContact CA-O 3.49Å; D201-V339 HydrophobicContact CB-CB 3.97Å; D201-V339 HydrophobicContact CB-CG1 4.35Å; L202-V339 PolarHBondContact N-O 3.01Å; V337-V339 HydrophobicContact CG1-CG2 4.42Å; V339-T343 WeakPolarHBondContact O-CG2 3.28Å; V339-I365 HydrophobicContact CG2-CD1 4.23Å; V339-V371 HydrophobicContact CG1-CG2 3.61Å
340G96.4Very high97.3Very high9 Ų935.4 Ų35.49%0.09319%0.19CC..SBendtrans84.7137.5-179.700000113.3L202 S342 T343 P367L202-G340 CarbonylContact O-C 3.58Å; L202-G340 VanDerWaalsContact O-C 3.3Å; L202-G340 WeakPolarHBondContact O-CA 3.31Å; G340-S342 PolarHBondContact O-N 2.93Å; G340-S342 VanDerWaalsContact O-N 3.09Å; G340-T343 WeakPolarHBondContact O-CB 3.4Å; G340-T343 PolarHBondContact O-N 3.35Å; G340-T343 PolarHBondContact O-OG1 2.83Å; G340-P367 PolarHBondContact N-O 2.83Å
341G95.9Very high97.4Very high33 Ų3333.2 Ų33.234%0.3418%0.182SC..G310 helixtrans-60.3-24.6-170.700000115.3T343 R344 D368G341-T343 VanDerWaalsContact C-N 3.26Å; G341-T343 PolarHBondContact O-N 3.31Å; G341-R344 WeakPolarHBondContact O-CB 3.42Å; G341-R344 WeakPolarHBondContact O-CG 3.28Å; G341-R344 PolarHBondContact O-N 3.29Å; G341-D368 WeakPolarHBondContact CA-OD1 3.23Å
342S98.2Very high97.5Very high9 Ų930.3 Ų30.36%0.06315%0.151CC..G310 helixtrans-74.2-15.8178.9-59.70000112.8L202 G203 G232 G340 R344 I345L202-S342 VanDerWaalsContact O-CB 3.24Å; L202-S342 WeakPolarHBondContact O-CB 3.41Å; L202-S342 PolarHBondContact O-N 2.88Å; L202-S342 VanDerWaalsContact O-N 3.15Å; G203-S342 PolarHBondContact O-OG 3.32Å; G232-S342 VanDerWaalsContact CA-OG 3.31Å; G232-S342 WeakPolarHBondContact CA-OG 3.47Å; G232-S342 PolarHBondContact N-OG 3.1Å; G340-S342 PolarHBondContact O-N 2.93Å; G340-S342 VanDerWaalsContact O-N 3.09Å; S342-R344 PolarHBondContact O-N 3.5Å; S342-I345 WeakPolarHBondContact O-CB 3.43Å; S342-I345 WeakPolarHBondContact O-CD1 3.45Å; S342-I345 VanDerWaalsContact O-CG1 3.26Å; S342-I345 WeakPolarHBondContact O-CG1 3.41Å; S342-I345 PolarHBondContact O-N 3.34Å; S342-I345 VanDerWaalsContact O-N 3.16Å
343T98.1Very high97.5Very high2 Ų228.7 Ų28.71%0.01214%0.144CC..G310 helixtrans-67.2-12.8171.163.50000113.3F200 L202 L338 V339 G340 G341 I345 Q349F200-T343 HydrophobicContact CD1-CG2 3.8Å; F200-T343 HydrophobicContact CE1-CG2 4.1Å; L202-T343 HydrophobicContact CB-CG2 3.9Å; L338-T343 HydrophobicContact CB-CG2 4.29Å; L338-T343 HydrophobicContact CD2-CG2 4.34Å; V339-T343 WeakPolarHBondContact O-CG2 3.28Å; G340-T343 WeakPolarHBondContact O-CB 3.4Å; G340-T343 PolarHBondContact O-N 3.35Å; G340-T343 PolarHBondContact O-OG1 2.83Å; G341-T343 VanDerWaalsContact C-N 3.26Å; G341-T343 PolarHBondContact O-N 3.31Å; T343-I345 PolarHBondContact O-N 3.21Å; T343-Q349 VanDerWaalsContact O-CG 3.26Å; T343-Q349 WeakPolarHBondContact O-CG 3.31Å; T343-Q349 PolarHBondContact O-NE2 3.3Å
344R97.8Very high97.6Very high115 Ų11532.5 Ų32.543%0.43416%0.164SC..G310 helixtrans-68.5-13.9172.4-61.5176.3-179.3-82.44112.7G341 S342 P346 D368G341-R344 WeakPolarHBondContact O-CB 3.42Å; G341-R344 WeakPolarHBondContact O-CG 3.28Å; G341-R344 PolarHBondContact O-N 3.29Å; S342-R344 PolarHBondContact O-N 3.5Å; R344-P346 WeakPolarHBondContact O-CD 3.32Å; R344-D368 IonicContact CZ-OD2 2.7Å; R344-D368 IonicContact NE-OD2 3.62Å; R344-D368 PolarHBondContact NE-OD2 2.84Å; R344-D368 IonicContact NH2-OD2 2.77Å; R344-D368 PolarHBondContact NH2-OD2 3.45Å
345I98.6Very high97.7Very high4 Ų430 Ų302%0.02115%0.152CC..SBendtrans-66.7120.4177.6-64.4169.1000109.6F235 F304 F312 S342 T343 K347 I348 Q349F235-I345 HydrophobicContact CD2-CD1 3.67Å; F235-I345 HydrophobicContact CE2-CD1 3.84Å; F304-I345 HydrophobicContact CE1-CD1 4.42Å; F304-I345 HydrophobicContact CE1-CG2 4.19Å; F304-I345 HydrophobicContact CZ-CD1 4.23Å; F312-I345 HydrophobicContact CE1-CD1 4.24Å; F312-I345 HydrophobicContact CE2-CG2 4.28Å; F312-I345 HydrophobicContact CZ-CD1 4.28Å; F312-I345 HydrophobicContact CZ-CG2 4.01Å; S342-I345 WeakPolarHBondContact O-CB 3.43Å; S342-I345 WeakPolarHBondContact O-CD1 3.45Å; S342-I345 VanDerWaalsContact O-CG1 3.26Å; S342-I345 WeakPolarHBondContact O-CG1 3.41Å; S342-I345 PolarHBondContact O-N 3.34Å; S342-I345 VanDerWaalsContact O-N 3.16Å; T343-I345 PolarHBondContact O-N 3.21Å; I345-K347 HydrophobicContact CG2-CB 4.18Å; I345-K347 PolarHBondContact O-N 3.19Å; I345-K347 VanDerWaalsContact O-N 3.17Å; I345-I348 HydrophobicContact CB-CB 4.35Å; I345-I348 HydrophobicContact CB-CG1 4Å; I345-I348 HydrophobicContact CG2-CG1 4.1Å; I345-I348 PolarHBondContact O-N 3.26Å; I345-I348 VanDerWaalsContact O-N 3.12Å; I345-Q349 PolarHBondContact O-N 3.37Å
346P98.3Very high97.8Very high39 Ų3929.2 Ų29.225%0.25315%0.148SC..Hα-helixtrans-57.2-35.4-177.1-29.136000113.9S277 R344 Q349 K350S277-P346 WeakPolarHBondContact O-CG 3.38Å; R344-P346 WeakPolarHBondContact O-CD 3.32Å; P346-Q349 PolarHBondContact O-N 2.96Å; P346-K350 WeakPolarHBondContact O-CB 3.38Å; P346-K350 PolarHBondContact O-N 2.78Å
347K98.4Very high97.7Very high72 Ų7235.7 Ų35.731%0.31318%0.183SC..Hα-helixtrans-65.6-38.9179.1-17155.6173.1-176.20113.3E305 F312 I345 K350 L351E305-K347 HydrophobicContact CB-CG 4.5Å; E305-K347 HydrophobicContact CG-CB 3.78Å; E305-K347 HydrophobicContact CG-CG 4.04Å; F312-K347 HydrophobicContact CD2-CB 4.02Å; F312-K347 HydrophobicContact CD2-CG 3.66Å; F312-K347 HydrophobicContact CE2-CB 4.08Å; F312-K347 HydrophobicContact CE2-CG 4.16Å; I345-K347 HydrophobicContact CG2-CB 4.18Å; I345-K347 PolarHBondContact O-N 3.19Å; I345-K347 VanDerWaalsContact O-N 3.17Å; K347-K350 PolarHBondContact O-N 2.83Å; K347-L351 HydrophobicContact CD-CG 4.44Å; K347-L351 HydrophobicContact CG-CD1 4.3Å; K347-L351 WeakPolarHBondContact O-CB 3.35Å; K347-L351 VanDerWaalsContact O-CG 3.27Å; K347-L351 WeakPolarHBondContact O-CG 3.44Å; K347-L351 PolarHBondContact O-N 3.04Å
348I98.4Very high97.6Very high1 Ų138.4 Ų38.41%0.00521%0.211CC..Hα-helixtrans-62.9-49.4175.7-67.1-64.8000109.7F200 L202 F312 T315 I345 K350 L351 L352F200-I348 HydrophobicContact CE1-CG2 3.65Å; F200-I348 HydrophobicContact CZ-CG2 3.92Å; L202-I348 HydrophobicContact CD2-CD1 3.97Å; L202-I348 HydrophobicContact CD2-CG1 4.05Å; L202-I348 HydrophobicContact CD2-CG2 4.24Å; F312-I348 HydrophobicContact CB-CD1 3.92Å; F312-I348 HydrophobicContact CD1-CD1 3.59Å; F312-I348 HydrophobicContact CD1-CG1 4.23Å; F312-I348 HydrophobicContact CE1-CD1 4.27Å; F312-I348 HydrophobicContact CE1-CG1 4.47Å; F312-I348 HydrophobicContact CG-CD1 3.86Å; T315-I348 HydrophobicContact CG2-CD1 4.18Å; I345-I348 HydrophobicContact CB-CB 4.35Å; I345-I348 HydrophobicContact CB-CG1 4Å; I345-I348 HydrophobicContact CG2-CG1 4.1Å; I345-I348 PolarHBondContact O-N 3.26Å; I345-I348 VanDerWaalsContact O-N 3.12Å; I348-K350 VanDerWaalsContact C-N 3.32Å; I348-K350 PolarHBondContact O-N 3.22Å; I348-L351 PolarHBondContact O-N 2.93Å; I348-L352 PolarHBondContact O-N 3.3Å
349Q98.2Very high97.4Very high32 Ų3241.6 Ų41.615%0.1522%0.222CC..Hα-helixtrans-58.8-44.5176.8-64.8-17722.900111.5L338 T343 I345 P346 L352 Q353 L361L338-Q349 HydrophobicContact CD1-CG 3.89Å; T343-Q349 VanDerWaalsContact O-CG 3.26Å; T343-Q349 WeakPolarHBondContact O-CG 3.31Å; T343-Q349 PolarHBondContact O-NE2 3.3Å; I345-Q349 PolarHBondContact O-N 3.37Å; P346-Q349 PolarHBondContact O-N 2.96Å; Q349-L352 PolarHBondContact O-N 2.72Å; Q349-Q353 WeakPolarHBondContact O-CB 3.42Å; Q349-Q353 VanDerWaalsContact O-CG 3.28Å; Q349-Q353 WeakPolarHBondContact O-CG 3.5Å; Q349-Q353 PolarHBondContact O-N 2.8Å; Q349-L361 HydrophobicContact CB-CD1 3.75Å; Q349-L361 HydrophobicContact CG-CD1 4.05Å
350K98.3Very high97.3Very high97 Ų9749.6 Ų49.642%0.42226%0.259SS..Hα-helixtrans-63-45.5179.7-177.253.8175.51600112.1P346 K347 I348 L352 Q353 D354P346-K350 WeakPolarHBondContact O-CB 3.38Å; P346-K350 PolarHBondContact O-N 2.78Å; K347-K350 PolarHBondContact O-N 2.83Å; I348-K350 VanDerWaalsContact C-N 3.32Å; I348-K350 PolarHBondContact O-N 3.22Å; K350-L352 VanDerWaalsContact C-N 3.3Å; K350-L352 PolarHBondContact O-N 2.83Å; K350-Q353 PolarHBondContact O-N 3.34Å; K350-D354 VanDerWaalsContact CE-OD1 3.26Å; K350-D354 WeakPolarHBondContact CE-OD1 3.4Å; K350-D354 VanDerWaalsContact CE-OD2 3.25Å; K350-D354 WeakPolarHBondContact CE-OD2 3.33Å; K350-D354 IonicContact NZ-OD1 3.72Å; K350-D354 PolarHBondContact NZ-OD1 2.99Å; K350-D354 IonicContact NZ-OD2 3.65Å; K350-D354 WeakPolarHBondContact O-CB 3.28Å; K350-D354 PolarHBondContact O-N 3.25Å
351L98.3Very high97.3Very high24 Ų2449.5 Ų49.513%0.12626%0.256CS..Hα-helixtrans-59.7-42.3176.5-74.2171.5000111.7F312 L316 K347 I348 F355F312-L351 HydrophobicContact CB-CD1 3.8Å; L316-L351 HydrophobicContact CD1-CB 4.45Å; L316-L351 HydrophobicContact CD2-CB 4.47Å; K347-L351 HydrophobicContact CD-CG 4.44Å; K347-L351 HydrophobicContact CG-CD1 4.3Å; K347-L351 WeakPolarHBondContact O-CB 3.35Å; K347-L351 VanDerWaalsContact O-CG 3.27Å; K347-L351 WeakPolarHBondContact O-CG 3.44Å; K347-L351 PolarHBondContact O-N 3.04Å; I348-L351 PolarHBondContact O-N 2.93Å; L351-F355 VanDerWaalsContact O-CB 3.32Å; L351-F355 WeakPolarHBondContact O-CB 3.27Å; L351-F355 PolarHBondContact O-N 2.85Å
352L97.8Very high97.2Very high1 Ų149 Ų491%0.00525%0.246CC..Hα-helixtrans-69.5-42.2179.2-164.862.3000112F200 V319 V336 L338 I348 Q349 K350 F355 F356 L361F200-L352 HydrophobicContact CB-CD2 3.96Å; F200-L352 HydrophobicContact CD1-CD2 4.29Å; F200-L352 HydrophobicContact CD2-CD1 3.81Å; F200-L352 HydrophobicContact CD2-CD2 3.76Å; F200-L352 HydrophobicContact CD2-CG 4.44Å; F200-L352 HydrophobicContact CE2-CD1 4.02Å; F200-L352 HydrophobicContact CE2-CD2 4.3Å; F200-L352 HydrophobicContact CG-CD2 3.75Å; V319-L352 HydrophobicContact CG1-CD1 4.42Å; V319-L352 HydrophobicContact CG2-CD1 4.17Å; V336-L352 HydrophobicContact CG1-CD2 3.5Å; V336-L352 HydrophobicContact CG1-CG 4.02Å; L338-L352 HydrophobicContact CD2-CD2 3.72Å; I348-L352 PolarHBondContact O-N 3.3Å; Q349-L352 PolarHBondContact O-N 2.72Å; K350-L352 VanDerWaalsContact C-N 3.3Å; K350-L352 PolarHBondContact O-N 2.83Å; L352-F355 WeakPolarHBondContact O-CB 3.48Å; L352-F355 PolarHBondContact O-N 2.91Å; L352-F356 HydrophobicContact CD1-CD2 4.04Å; L352-F356 HydrophobicContact CD1-CE2 3.81Å; L352-F356 HydrophobicContact CG-CD2 4.22Å; L352-F356 HydrophobicContact CG-CE2 4.39Å; L352-F356 WeakPolarHBondContact O-CD2 3.45Å; L352-F356 PolarHBondContact O-N 3.05Å; L352-L361 HydrophobicContact CB-CD1 4.43Å; L352-L361 HydrophobicContact CB-CD2 4.41Å; L352-L361 HydrophobicContact CD2-CD1 4.41Å; L352-L361 HydrophobicContact CD2-CD2 4.08Å; L352-L361 HydrophobicContact CG-CD2 4.11Å
353Q97.9Very high96.9Very high54 Ų5454.7 Ų54.725%0.25227%0.27SS..Hα-helixtrans-58.6-48.8172.9-75.4177.7-25.500111.5Q349 K350 F355 F356 N357 G358 L361Q349-Q353 WeakPolarHBondContact O-CB 3.42Å; Q349-Q353 VanDerWaalsContact O-CG 3.28Å; Q349-Q353 WeakPolarHBondContact O-CG 3.5Å; Q349-Q353 PolarHBondContact O-N 2.8Å; K350-Q353 PolarHBondContact O-N 3.34Å; Q353-F355 VanDerWaalsContact C-N 3.3Å; Q353-F355 PolarHBondContact O-N 3.37Å; Q353-F356 CarbonylContact O-C 3.54Å; Q353-F356 VanDerWaalsContact O-C 3.27Å; Q353-F356 PolarHBondContact O-N 2.51Å; Q353-F356 VanDerWaalsContact O-N 3.13Å; Q353-N357 PolarHBondContact O-N 3.27Å; Q353-G358 WeakPolarHBondContact O-CA 3.18Å; Q353-G358 PolarHBondContact O-N 3Å; Q353-L361 HydrophobicContact CG-CD1 3.82Å; Q353-L361 HydrophobicContact CG-CD2 3.97Å; Q353-L361 HydrophobicContact CG-CG 3.58Å
354D97.8Very high96.5Very high79 Ų7958.1 Ų58.142%0.42229%0.293SS..Hα-helixtrans-62.6-40.1179.1-67.9-18.7000110.7K350 F356 N357K350-D354 VanDerWaalsContact CE-OD1 3.26Å; K350-D354 WeakPolarHBondContact CE-OD1 3.4Å; K350-D354 VanDerWaalsContact CE-OD2 3.25Å; K350-D354 WeakPolarHBondContact CE-OD2 3.33Å; K350-D354 IonicContact NZ-OD1 3.72Å; K350-D354 PolarHBondContact NZ-OD1 2.99Å; K350-D354 IonicContact NZ-OD2 3.65Å; K350-D354 WeakPolarHBondContact O-CB 3.28Å; K350-D354 PolarHBondContact O-N 3.25Å; D354-F356 VanDerWaalsContact C-N 3.29Å; D354-F356 PolarHBondContact O-N 3.4Å; D354-N357 PolarHBondContact O-N 3.49Å; D354-N357 VanDerWaalsContact O-N 3.15Å
355F97.9Very high96.2Very high26 Ų2653.8 Ų53.811%0.11428%0.279CS..Hα-helixtrans-60.5-38174.5-176.7-90000112.2L316 V319 E320 L323 K330 L351 L352 Q353 N357L316-F355 HydrophobicContact CD1-CD2 4.42Å; L316-F355 HydrophobicContact CD2-CB 4.02Å; L316-F355 HydrophobicContact CD2-CD2 4.24Å; L316-F355 HydrophobicContact CD2-CG 4.21Å; V319-F355 HydrophobicContact CB-CE1 4.47Å; V319-F355 HydrophobicContact CG1-CD1 3.97Å; V319-F355 HydrophobicContact CG1-CE1 3.49Å; V319-F355 VanDerWaalsContact CG1-CE1 3.49Å; V319-F355 HydrophobicContact CG1-CZ 4.01Å; E320-F355 HydrophobicContact CB-CE2 4.41Å; E320-F355 HydrophobicContact CB-CZ 4.18Å; L323-F355 HydrophobicContact CD1-CE1 3.74Å; L323-F355 HydrophobicContact CD1-CZ 4.18Å; K330-F355 HydrophobicContact CD-CD1 4.44Å; K330-F355 HydrophobicContact CD-CE1 4.19Å; K330-F355 VanDerWaalsContact CD-O 3.27Å; K330-F355 WeakPolarHBondContact CD-O 3.46Å; K330-F355 VanDerWaalsContact CE-CE1 3.42Å; K330-F355 WeakPolarHBondContact CE-O 3.33Å; K330-F355 HydrophobicContact CG-CE1 4.28Å; K330-F355 PolarHBondContact NZ-O 2.91Å; L351-F355 VanDerWaalsContact O-CB 3.32Å; L351-F355 WeakPolarHBondContact O-CB 3.27Å; L351-F355 PolarHBondContact O-N 2.85Å; L352-F355 WeakPolarHBondContact O-CB 3.48Å; L352-F355 PolarHBondContact O-N 2.91Å; Q353-F355 VanDerWaalsContact C-N 3.3Å; Q353-F355 PolarHBondContact O-N 3.37Å; F355-N357 VanDerWaalsContact C-N 3.32Å; F355-N357 PolarHBondContact O-N 2.93Å
356F97.4Very high96.1Very high6 Ų656.4 Ų56.43%0.02629%0.293CS..THydrogen-bonded Turntrans-92.628.9175.8-75.8-77.4000113.8L198 V319 L323 K330 I333 V336 L352 Q353 D354 G358 R359L198-F356 HydrophobicContact CD1-CE2 4.36Å; L198-F356 HydrophobicContact CD1-CZ 3.84Å; V319-F356 HydrophobicContact CG1-CE2 3.99Å; V319-F356 HydrophobicContact CG1-CZ 4.1Å; L323-F356 HydrophobicContact CD1-CE1 4.2Å; L323-F356 HydrophobicContact CD1-CZ 4.07Å; K330-F356 HydrophobicContact CB-CD1 4.07Å; K330-F356 HydrophobicContact CB-CE1 4.18Å; K330-F356 HydrophobicContact CG-CD1 4.42Å; K330-F356 HydrophobicContact CG-CE1 4.3Å; I333-F356 HydrophobicContact CB-CE1 4.2Å; I333-F356 HydrophobicContact CG1-CE1 4.02Å; I333-F356 HydrophobicContact CG2-CE1 4.45Å; V336-F356 HydrophobicContact CG1-CE2 4.47Å; V336-F356 HydrophobicContact CG2-CD1 4.3Å; V336-F356 HydrophobicContact CG2-CD2 3.83Å; V336-F356 HydrophobicContact CG2-CE1 4.36Å; V336-F356 HydrophobicContact CG2-CE2 3.89Å; V336-F356 HydrophobicContact CG2-CG 4.07Å; V336-F356 HydrophobicContact CG2-CZ 4.18Å; L352-F356 HydrophobicContact CD1-CD2 4.04Å; L352-F356 HydrophobicContact CD1-CE2 3.81Å; L352-F356 HydrophobicContact CG-CD2 4.22Å; L352-F356 HydrophobicContact CG-CE2 4.39Å; L352-F356 WeakPolarHBondContact O-CD2 3.45Å; L352-F356 PolarHBondContact O-N 3.05Å; Q353-F356 CarbonylContact O-C 3.54Å; Q353-F356 VanDerWaalsContact O-C 3.27Å; Q353-F356 PolarHBondContact O-N 2.51Å; Q353-F356 VanDerWaalsContact O-N 3.13Å; D354-F356 VanDerWaalsContact C-N 3.29Å; D354-F356 PolarHBondContact O-N 3.4Å; F356-G358 VanDerWaalsContact C-N 3.31Å; F356-G358 PolarHBondContact O-N 3.32Å; F356-R359 HydrophobicContact CB-CB 3.94Å; F356-R359 VanDerWaalsContact O-CB 3.31Å; F356-R359 WeakPolarHBondContact O-CB 3.12Å; F356-R359 PolarHBondContact O-N 3.4Å; F356-R359 VanDerWaalsContact O-N 3.17Å
357N95.9Very high95.9Very high136 Ų13655.6 Ų55.673%0.72729%0.287SS*.THydrogen-bonded Turntrans57.438173.8-51.7-44000114Q353 D354 F355Q353-N357 PolarHBondContact O-N 3.27Å; D354-N357 PolarHBondContact O-N 3.49Å; D354-N357 VanDerWaalsContact O-N 3.15Å; F355-N357 VanDerWaalsContact C-N 3.32Å; F355-N357 PolarHBondContact O-N 2.93Å
358G94.3Very high95.8Very high57 Ų5755 Ų5559%0.58829%0.288SS*.THydrogen-bonded Turntrans82.48.9179.100000114.9Q353 F356Q353-G358 WeakPolarHBondContact O-CA 3.18Å; Q353-G358 PolarHBondContact O-N 3Å; F356-G358 VanDerWaalsContact C-N 3.31Å; F356-G358 PolarHBondContact O-N 3.32Å
359R94.1Very high95.7Very high77 Ų7756.5 Ų56.529%0.29130%0.295SS..PPolyproline II helixtrans-56.8138.2175.4-176.4179-68.7-12310.8111.2I333 H334 F356I333-R359 PolarHBondContact O-NH1 3.34Å; I333-R359 PolarHBondContact O-NH2 3.42Å; H334-R359 VanDerWaalsContact C-NH1 3.33Å; H334-R359 PolarHBondContact O-NH1 2.95Å; F356-R359 HydrophobicContact CB-CB 3.94Å; F356-R359 VanDerWaalsContact O-CB 3.31Å; F356-R359 WeakPolarHBondContact O-CB 3.12Å; F356-R359 PolarHBondContact O-N 3.4Å; F356-R359 VanDerWaalsContact O-N 3.17Å
360E95.4Very high95.6Very high169 Ų16955.1 Ų55.179%0.7929%0.289SS*.PPolyproline II helixtrans-66.8135.9174.1-169.2172.5-170.900111.1
361L96.8Very high95.6Very high6 Ų650.7 Ų50.73%0.03127%0.27CS..PPolyproline II helixtrans-84.7138.3178.1-54.6-179.9000109.3V336 L338 Q349 L352 Q353 K363V336-L361 HydrophobicContact CB-CD2 3.97Å; V336-L361 HydrophobicContact CG1-CD2 3.8Å; L338-L361 HydrophobicContact CD1-CB 4.17Å; L338-L361 HydrophobicContact CD1-CD1 3.87Å; L338-L361 HydrophobicContact CD2-CD1 4.24Å; L338-L361 HydrophobicContact CG-CB 4.39Å; L338-L361 HydrophobicContact CG-CD1 4.39Å; Q349-L361 HydrophobicContact CB-CD1 3.75Å; Q349-L361 HydrophobicContact CG-CD1 4.05Å; L352-L361 HydrophobicContact CB-CD1 4.43Å; L352-L361 HydrophobicContact CB-CD2 4.41Å; L352-L361 HydrophobicContact CD2-CD1 4.41Å; L352-L361 HydrophobicContact CD2-CD2 4.08Å; L352-L361 HydrophobicContact CG-CD2 4.11Å; Q353-L361 HydrophobicContact CG-CD1 3.82Å; Q353-L361 HydrophobicContact CG-CD2 3.97Å; Q353-L361 HydrophobicContact CG-CG 3.58Å; L361-K363 PolarHBondContact O-N 3Å
362N93.8Very high95.6Very high22 Ų2249.6 Ų49.612%0.11826%0.264CS..BIsolated β-bridgetrans-78.6121-180-166.6-49.1000110.5Y185 D335 V336 V337 S364Y185-N362 WeakPolarHBondContact CE2-ND2 3.17Å; D335-N362 HydrophobicContact CB-CB 4.48Å; D335-N362 PolarHBondContact OD1-ND2 2.84Å; V336-N362 WeakPolarHBondContact O-CB 3.4Å; V336-N362 PolarHBondContact O-N 2.91Å; V337-N362 HydrophobicContact CG2-CB 4.11Å; N362-S364 WeakPolarHBondContact OD1-CB 3.13Å; N362-S364 PolarHBondContact OD1-N 3.48Å; N362-S364 PolarHBondContact OD1-OG 3.23Å
363K90.6Very high95.6Very high130 Ų13051.9 Ų51.957%0.56527%0.273SS*.  trans-119.822.8-179.1-56-179.6-178.1-179.20112.1L361 I365L361-K363 PolarHBondContact O-N 3Å; K363-I365 VanDerWaalsContact C-N 3.28Å; K363-I365 PolarHBondContact O-N 3.13Å
364S89.8Confident95.5Very high73 Ų7349.3 Ų49.351%0.5126%0.261SS..  trans-74.4-18.1-17568.30000113.7N362N362-S364 WeakPolarHBondContact OD1-CB 3.13Å; N362-S364 PolarHBondContact OD1-N 3.48Å; N362-S364 PolarHBondContact OD1-OG 3.23Å
365I92.6Very high95.5Very high25 Ų2545.5 Ų45.513%0.12824%0.241CC..SBendtrans-106.2152.2176.867.3177.7000110.8V337 V339 K363 P367 A370V337-I365 HydrophobicContact CG1-CD1 3.3Å; V337-I365 HydrophobicContact CG1-CG1 3.85Å; V339-I365 HydrophobicContact CG2-CD1 4.23Å; K363-I365 VanDerWaalsContact C-N 3.28Å; K363-I365 PolarHBondContact O-N 3.13Å; I365-P367 WeakPolarHBondContact O-CD 3.21Å; I365-A370 HydrophobicContact CB-CB 4.35Å; I365-A370 HydrophobicContact CD1-CB 3.67Å; I365-A370 HydrophobicContact CG1-CB 4.2Å
366N95.5Very high95.4Very high59 Ų5944.3 Ų44.332%0.31624%0.235SC..  trans-76.2117.3174.2-175.7-14000109.8D368 E369 A370N366-D368 PolarHBondContact O-N 3.45Å; N366-D368 VanDerWaalsContact O-N 3.14Å; N366-D368 PolarHBondContact OD1-N 2.92Å; N366-D368 VanDerWaalsContact OD1-N 3.13Å; N366-E369 HydrophobicContact CB-CB 4.14Å; N366-E369 HydrophobicContact CB-CG 4.45Å; N366-E369 WeakPolarHBondContact ND2-CG 3.46Å; N366-E369 PolarHBondContact ND2-OE1 2.88Å; N366-E369 PolarHBondContact ND2-OE2 3.48Å; N366-E369 PolarHBondContact O-N 3.26Å; N366-A370 VanDerWaalsContact O-CB 3.31Å; N366-A370 WeakPolarHBondContact O-CB 3.5Å; N366-A370 PolarHBondContact O-N 2.94Å
367P95.5Very high95.3Very high21 Ų2144 Ų4414%0.13623%0.234CC..THydrogen-bonded Turntrans-65.6-18.7-174.727.6-36.8000113.8G340 I365G340-P367 PolarHBondContact N-O 2.83Å; I365-P367 WeakPolarHBondContact O-CD 3.21Å
368D95.4Very high95.2Very high60 Ų6038 Ų3832%0.32120%0.202SC..THydrogen-bonded Turntrans-94.6-11.8-178.7-55.8-50.7000112.9T39 G341 R344 N366T39-D368 HydrophobicContact CG2-CB 4.4Å; G341-D368 WeakPolarHBondContact CA-OD1 3.23Å; R344-D368 IonicContact CZ-OD2 2.7Å; R344-D368 IonicContact NE-OD2 3.62Å; R344-D368 PolarHBondContact NE-OD2 2.84Å; R344-D368 IonicContact NH2-OD2 2.77Å; R344-D368 PolarHBondContact NH2-OD2 3.45Å; N366-D368 PolarHBondContact O-N 3.45Å; N366-D368 VanDerWaalsContact O-N 3.14Å; N366-D368 PolarHBondContact OD1-N 2.92Å; N366-D368 VanDerWaalsContact OD1-N 3.13Å
369E97.1Very high95.2Very high32 Ų3235.2 Ų35.215%0.1517%0.174CC..THydrogen-bonded Turntrans-121.7-21.7-173.3-64174.5177.800112.9I30 R38 N366 V371 A372 Y373I30-E369 HydrophobicContact CD1-CB 4.48Å; I30-E369 HydrophobicContact CG1-CB 4.17Å; I30-E369 HydrophobicContact CG1-CG 4.46Å; I30-E369 HydrophobicContact CG2-CG 4.23Å; R38-E369 WeakPolarHBondContact CD-OE1 3.49Å; R38-E369 IonicContact CZ-OE1 2.7Å; R38-E369 IonicContact NE-OE1 2.68Å; R38-E369 IonicContact NH1-OE1 2.69Å; R38-E369 PolarHBondContact NH1-OE1 3.45Å; R38-E369 VanDerWaalsContact NH1-OE1 3.14Å; R38-E369 IonicContact NH1-OE2 3.56Å; N366-E369 HydrophobicContact CB-CB 4.14Å; N366-E369 HydrophobicContact CB-CG 4.45Å; N366-E369 WeakPolarHBondContact ND2-CG 3.46Å; N366-E369 PolarHBondContact ND2-OE1 2.88Å; N366-E369 PolarHBondContact ND2-OE2 3.48Å; N366-E369 PolarHBondContact O-N 3.26Å; E369-V371 VanDerWaalsContact C-N 3.27Å; E369-V371 PolarHBondContact O-N 3.35Å; E369-A372 PolarHBondContact O-N 3.43Å; E369-Y373 WeakPolarHBondContact O-CB 3.38Å; E369-Y373 PolarHBondContact O-N 2.92Å
370A96.6Very high95.1Very high3 Ų331.8 Ų31.83%0.02516%0.161CC..Hα-helixtrans-57.4-36.5-172.600000114.1A181 A184 I365 N366 Y373 G374A181-A370 HydrophobicContact CB-CB 4.31Å; A184-A370 HydrophobicContact CB-CB 4.1Å; A184-A370 VanDerWaalsContact CB-O 3.28Å; A184-A370 WeakPolarHBondContact CB-O 3.42Å; I365-A370 HydrophobicContact CB-CB 4.35Å; I365-A370 HydrophobicContact CD1-CB 3.67Å; I365-A370 HydrophobicContact CG1-CB 4.2Å; N366-A370 VanDerWaalsContact O-CB 3.31Å; N366-A370 WeakPolarHBondContact O-CB 3.5Å; N366-A370 PolarHBondContact O-N 2.94Å; A370-Y373 WeakPolarHBondContact O-CB 3.42Å; A370-Y373 PolarHBondContact O-N 3.23Å; A370-G374 PolarHBondContact O-N 2.81Å
371V97.9Very high94.9Very high5 Ų525.9 Ų25.93%0.0314%0.135CC..Hα-helixtrans-67.5-50.5-180175.90000110.7D12 T147 E177 A180 A181 V339 E369 Y373 G374 A375D12-V371 HydrophobicContact CB-CB 4.22Å; D12-V371 HydrophobicContact CB-CG1 3.85Å; D12-V371 VanDerWaalsContact CG-CG1 3.46Å; D12-V371 WeakPolarHBondContact OD1-CG1 3.46Å; T147-V371 HydrophobicContact CG2-CG1 3.43Å; T147-V371 VanDerWaalsContact CG2-CG1 3.43Å; E177-V371 HydrophobicContact CB-CG1 4.21Å; E177-V371 HydrophobicContact CB-CG2 4.4Å; E177-V371 HydrophobicContact CG-CG1 3.87Å; A180-V371 HydrophobicContact CB-CG1 4.36Å; A180-V371 WeakPolarHBondContact CB-O 3.34Å; A181-V371 HydrophobicContact CB-CG2 4.34Å; V339-V371 HydrophobicContact CG1-CG2 3.61Å; E369-V371 VanDerWaalsContact C-N 3.27Å; E369-V371 PolarHBondContact O-N 3.35Å; V371-Y373 PolarHBondContact O-N 2.84Å; V371-G374 PolarHBondContact O-N 3.17Å; V371-A375 WeakPolarHBondContact O-CB 3.47Å; V371-A375 PolarHBondContact O-N 3.46Å
372A98.3Very high94.6Very high0 Ų028.7 Ų28.70%015%0.149CC..Hα-helixtrans-62.4-34.5175.400000111.6D12 C19 I30 E369 A375 A376D12-A372 HydrophobicContact CB-CB 3.81Å; C19-A372 HydrophobicContact CB-CB 3.73Å; C19-A372 VanDerWaalsContact SG-CB 3.58Å; I30-A372 HydrophobicContact CD1-CB 4.15Å; E369-A372 PolarHBondContact O-N 3.43Å; A372-A375 PolarHBondContact O-N 3.01Å; A372-A376 WeakPolarHBondContact O-CB 3.38Å; A372-A376 PolarHBondContact O-N 3.28Å
373Y97.2Very high94.4Very high49 Ų4930.1 Ų30.119%0.19216%0.159CC..Hα-helixtrans-59.8-53.7175.8-172.3-72.6000111.4V28 A184 L187 E369 A370 V371 A375 A376 V377V28-Y373 HydrophobicContact CB-CD1 4.36Å; V28-Y373 HydrophobicContact CB-CD2 3.64Å; V28-Y373 HydrophobicContact CB-CE1 4.17Å; V28-Y373 HydrophobicContact CB-CE2 3.43Å; V28-Y373 VanDerWaalsContact CB-CE2 3.43Å; V28-Y373 HydrophobicContact CB-CG 4.1Å; V28-Y373 HydrophobicContact CG1-CD2 3.57Å; V28-Y373 HydrophobicContact CG1-CE2 3.93Å; V28-Y373 HydrophobicContact CG1-CG 3.9Å; V28-Y373 HydrophobicContact CG2-CD1 3.98Å; V28-Y373 HydrophobicContact CG2-CD2 4.18Å; V28-Y373 HydrophobicContact CG2-CE1 3.73Å; V28-Y373 HydrophobicContact CG2-CE2 3.96Å; V28-Y373 HydrophobicContact CG2-CG 4.18Å; A184-Y373 HydrophobicContact CB-CD1 3.56Å; A184-Y373 HydrophobicContact CB-CE1 4.35Å; A184-Y373 HydrophobicContact CB-CG 4.03Å; L187-Y373 HydrophobicContact CD2-CE1 4.23Å; E369-Y373 WeakPolarHBondContact O-CB 3.38Å; E369-Y373 PolarHBondContact O-N 2.92Å; A370-Y373 WeakPolarHBondContact O-CB 3.42Å; A370-Y373 PolarHBondContact O-N 3.23Å; V371-Y373 PolarHBondContact O-N 2.84Å; Y373-A375 VanDerWaalsContact C-N 3.32Å; Y373-A375 PolarHBondContact O-N 3.35Å; Y373-A376 WeakPolarHBondContact O-CB 3.49Å; Y373-A376 PolarHBondContact O-N 2.96Å; Y373-A376 VanDerWaalsContact O-N 3.15Å; Y373-V377 HydrophobicContact CD1-CG2 4.12Å; Y373-V377 HydrophobicContact CE1-CG2 3.92Å; Y373-V377 PolarHBondContact O-N 3.24Å
374G95.8Very high93.9Very high0 Ų026.5 Ų26.50%016%0.159CC..Hα-helixtrans-63.4-36.9178.200000113.4A180 A370 V371 A376 V377 Q378A180-G374 VanDerWaalsContact O-CA 3.28Å; A180-G374 WeakPolarHBondContact O-CA 3.43Å; A370-G374 PolarHBondContact O-N 2.81Å; V371-G374 PolarHBondContact O-N 3.17Å; G374-A376 VanDerWaalsContact C-N 3.3Å; G374-A376 PolarHBondContact O-N 3.1Å; G374-V377 PolarHBondContact O-N 3.5Å; G374-Q378 PolarHBondContact O-N 2.89Å
375A97.5Very high93.5Very high0 Ų025.6 Ų25.60%015%0.148CC..Hα-helixtrans-62.3-37.717400000111.9V145 T147 I175 V371 A372 Y373 Q378 A379V145-A375 HydrophobicContact CG1-CB 4.26Å; T147-A375 HydrophobicContact CG2-CB 3.81Å; I175-A375 HydrophobicContact CG2-CB 4.23Å; V371-A375 WeakPolarHBondContact O-CB 3.47Å; V371-A375 PolarHBondContact O-N 3.46Å; A372-A375 PolarHBondContact O-N 3.01Å; Y373-A375 VanDerWaalsContact C-N 3.32Å; Y373-A375 PolarHBondContact O-N 3.35Å; A375-Q378 PolarHBondContact O-N 2.65Å; A375-A379 WeakPolarHBondContact O-CB 3.37Å; A375-A379 PolarHBondContact O-N 2.68Å
376A96.8Very high92.4Very high0 Ų029.3 Ų29.30%017%0.172CC..Hα-helixtrans-69.8-37.8177.400000112V28 A372 Y373 G374 A379 A380V28-A376 HydrophobicContact CG1-CB 3.88Å; V28-A376 HydrophobicContact CG2-CB 4.32Å; A372-A376 WeakPolarHBondContact O-CB 3.38Å; A372-A376 PolarHBondContact O-N 3.28Å; Y373-A376 WeakPolarHBondContact O-CB 3.49Å; Y373-A376 PolarHBondContact O-N 2.96Å; Y373-A376 VanDerWaalsContact O-N 3.15Å; G374-A376 VanDerWaalsContact C-N 3.3Å; G374-A376 PolarHBondContact O-N 3.1Å; A376-A379 WeakPolarHBondContact O-CB 3.33Å; A376-A379 PolarHBondContact O-N 3.16Å; A376-A380 PolarHBondContact O-N 3.41Å
377V94.3Very high91.4Very high0 Ų028.1 Ų28.10%017%0.168CC..Hα-helixtrans-59.8-48.1170.51740000110.6V28 I183 L187 Y373 G374 A379 A380 I381 V390 L393V28-V377 HydrophobicContact CG2-CG2 3.52Å; I183-V377 HydrophobicContact CG2-CB 3.74Å; I183-V377 HydrophobicContact CG2-CG1 3.63Å; I183-V377 HydrophobicContact CG2-CG2 4.09Å; L187-V377 HydrophobicContact CD1-CG1 4.04Å; L187-V377 HydrophobicContact CD1-CG2 4.21Å; Y373-V377 HydrophobicContact CD1-CG2 4.12Å; Y373-V377 HydrophobicContact CE1-CG2 3.92Å; Y373-V377 PolarHBondContact O-N 3.24Å; G374-V377 PolarHBondContact O-N 3.5Å; V377-A379 VanDerWaalsContact C-N 3.28Å; V377-A379 PolarHBondContact O-N 2.56Å; V377-A380 WeakPolarHBondContact O-CB 3.16Å; V377-A380 PolarHBondContact O-N 2.89Å; V377-A380 VanDerWaalsContact O-N 3.15Å; V377-I381 HydrophobicContact CG1-CD1 3.99Å; V377-I381 WeakPolarHBondContact O-CG1 3.32Å; V377-I381 PolarHBondContact O-N 3.23Å; V377-I381 VanDerWaalsContact O-N 3.09Å; V377-V390 HydrophobicContact CG1-CG1 3.87Å; V377-L393 HydrophobicContact CG1-CD1 4.08Å
378Q93.9Very high90Very high9 Ų930 Ų304%0.04219%0.192CC..Hα-helixtrans-61.3-38.7178-17463.326.700112V145 I175 G374 A375 A380 I381 L382V145-Q378 HydrophobicContact CG1-CB 4.3Å; V145-Q378 HydrophobicContact CG1-CG 4.22Å; V145-Q378 HydrophobicContact CG2-CG 4.28Å; I175-Q378 HydrophobicContact CD1-CB 4.04Å; I175-Q378 HydrophobicContact CD1-CG 4.11Å; G374-Q378 PolarHBondContact O-N 2.89Å; A375-Q378 PolarHBondContact O-N 2.65Å; Q378-A380 VanDerWaalsContact C-N 3.35Å; Q378-I381 PolarHBondContact O-N 3.02Å; Q378-L382 HydrophobicContact CG-CD1 4.13Å; Q378-L382 VanDerWaalsContact O-CG 3.31Å; Q378-L382 WeakPolarHBondContact O-CG 3.46Å; Q378-L382 PolarHBondContact O-N 3.28Å; Q378-L382 VanDerWaalsContact O-N 3.11Å
379A94.9Very high88.8Confident0 Ų032.4 Ų32.40%020%0.204CC..Hα-helixtrans-61.1-44175.600000111.4A8 V145 A375 A376 V377 I381 L382 T383A8-A379 HydrophobicContact CB-CB 3.82Å; V145-A379 HydrophobicContact CB-CB 4.24Å; V145-A379 HydrophobicContact CG2-CB 3.77Å; A375-A379 WeakPolarHBondContact O-CB 3.37Å; A375-A379 PolarHBondContact O-N 2.68Å; A376-A379 WeakPolarHBondContact O-CB 3.33Å; A376-A379 PolarHBondContact O-N 3.16Å; V377-A379 VanDerWaalsContact C-N 3.28Å; V377-A379 PolarHBondContact O-N 2.56Å; A379-I381 PolarHBondContact O-N 3.36Å; A379-L382 PolarHBondContact O-N 2.66Å; A379-T383 WeakPolarHBondContact O-CG2 3.31Å; A379-T383 PolarHBondContact O-N 3.44Å; A379-T383 VanDerWaalsContact O-N 3.11Å; A379-T383 PolarHBondContact O-OG1 3.45Å; A379-T383 VanDerWaalsContact O-OG1 3.12Å
380A92.6Very high87.7Confident4 Ų431 Ų313%0.03320%0.198CC..Hα-helixtrans-59.2-47.9177.100000112.2F23 A376 V377 Q378 L382 T383 G384 D385F23-A380 HydrophobicContact CB-CB 3.6Å; F23-A380 HydrophobicContact CD1-CB 3.68Å; F23-A380 HydrophobicContact CD2-CB 4.08Å; F23-A380 HydrophobicContact CE1-CB 4.35Å; F23-A380 HydrophobicContact CG-CB 3.52Å; A376-A380 PolarHBondContact O-N 3.41Å; V377-A380 WeakPolarHBondContact O-CB 3.16Å; V377-A380 PolarHBondContact O-N 2.89Å; V377-A380 VanDerWaalsContact O-N 3.15Å; Q378-A380 VanDerWaalsContact C-N 3.35Å; A380-L382 VanDerWaalsContact C-N 3.34Å; A380-L382 PolarHBondContact O-N 3.01Å; A380-T383 WeakPolarHBondContact CA-OG1 3.48Å; A380-T383 PolarHBondContact O-N 3.39Å; A380-T383 VanDerWaalsContact O-N 3.14Å; A380-T383 PolarHBondContact O-OG1 3.36Å; A380-G384 PolarHBondContact O-N 2.97Å; A380-D385 HydrophobicContact CB-CB 4.06Å; A380-D385 WeakPolarHBondContact O-CB 3.3Å; A380-D385 PolarHBondContact O-N 3.48Å; A380-D385 VanDerWaalsContact O-N 3.08Å
381I90.1Very high86.3Confident45 Ų4536.8 Ų36.823%0.23123%0.225CC..Hα-helixtrans-57.8-46.9178.6-66.1165.2000110.7V377 Q378 A379 T383 G384 V390 L393V377-I381 HydrophobicContact CG1-CD1 3.99Å; V377-I381 WeakPolarHBondContact O-CG1 3.32Å; V377-I381 PolarHBondContact O-N 3.23Å; V377-I381 VanDerWaalsContact O-N 3.09Å; Q378-I381 PolarHBondContact O-N 3.02Å; A379-I381 PolarHBondContact O-N 3.36Å; I381-T383 PolarHBondContact O-N 3.35Å; I381-G384 PolarHBondContact O-N 3.18Å; I381-V390 HydrophobicContact CG1-CB 4.01Å; I381-L393 HydrophobicContact CD1-CB 3.76Å; I381-L393 HydrophobicContact CD1-CD1 4.2Å; I381-L393 HydrophobicContact CD1-CD2 3.81Å; I381-L393 HydrophobicContact CD1-CG 4.1Å
382L90.2Very high85.2Confident65 Ų6541.3 Ų41.334%0.3425%0.249SC..Hα-helixtrans-68.9-22.8-178.7-67.1171.3000113.3V145 L172 R173 Q378 A379 A380 G384V145-L382 HydrophobicContact CG2-CD1 3.86Å; L172-L382 HydrophobicContact CB-CD1 3.98Å; L172-L382 HydrophobicContact CD1-CB 4.17Å; R173-L382 HydrophobicContact CB-CD1 3.56Å; R173-L382 HydrophobicContact CG-CD1 4.38Å; Q378-L382 HydrophobicContact CG-CD1 4.13Å; Q378-L382 VanDerWaalsContact O-CG 3.31Å; Q378-L382 WeakPolarHBondContact O-CG 3.46Å; Q378-L382 PolarHBondContact O-N 3.28Å; Q378-L382 VanDerWaalsContact O-N 3.11Å; A379-L382 PolarHBondContact O-N 2.66Å; A380-L382 VanDerWaalsContact C-N 3.34Å; A380-L382 PolarHBondContact O-N 3.01Å; L382-G384 VanDerWaalsContact C-N 3.32Å
383T89.4Confident84.5Confident52 Ų5242.4 Ų42.432%0.31925%0.254SS..THydrogen-bonded Turntrans-89.11.8173.956.50000113.8N6 A8 L172 A379 A380 I381N6-T383 WeakPolarHBondContact O-CB 3.44Å; N6-T383 WeakPolarHBondContact O-CG2 3.34Å; A8-T383 HydrophobicContact CB-CG2 3.42Å; A8-T383 VanDerWaalsContact CB-CG2 3.42Å; L172-T383 HydrophobicContact CD1-CG2 4.19Å; A379-T383 WeakPolarHBondContact O-CG2 3.31Å; A379-T383 PolarHBondContact O-N 3.44Å; A379-T383 VanDerWaalsContact O-N 3.11Å; A379-T383 PolarHBondContact O-OG1 3.45Å; A379-T383 VanDerWaalsContact O-OG1 3.12Å; A380-T383 WeakPolarHBondContact CA-OG1 3.48Å; A380-T383 PolarHBondContact O-N 3.39Å; A380-T383 VanDerWaalsContact O-N 3.14Å; A380-T383 PolarHBondContact O-OG1 3.36Å; I381-T383 PolarHBondContact O-N 3.35Å
384G81.8Confident83.9Confident54 Ų5444.3 Ų44.356%0.55727%0.267SS*.THydrogen-bonded Turntrans79.428.2175.800000114.3A380 I381 L382 T386A380-G384 PolarHBondContact O-N 2.97Å; I381-G384 PolarHBondContact O-N 3.18Å; L382-G384 VanDerWaalsContact C-N 3.32Å; G384-T386 PolarHBondContact O-N 3.18Å
385D79.5Confident83.5Confident54 Ų5446 Ų4629%0.28928%0.276SS..  trans-64.8127.4171.3-162.3-64.3000109.9A380 S387 V390A380-D385 HydrophobicContact CB-CB 4.06Å; A380-D385 WeakPolarHBondContact O-CB 3.3Å; A380-D385 PolarHBondContact O-N 3.48Å; A380-D385 VanDerWaalsContact O-N 3.08Å; D385-S387 WeakPolarHBondContact OD1-CB 3.34Å; D385-S387 PolarHBondContact OD1-N 3.19Å; D385-S387 PolarHBondContact OD1-OG 3.43Å; D385-V390 HydrophobicContact CB-CG2 4.48Å
386T70.3Confident83.1Confident103 Ų10348.4 Ų48.463%0.63229%0.289SS*.  trans-103.916.4-176.656.40000112.9G384 G388G384-T386 PolarHBondContact O-N 3.18Å; T386-G388 PolarHBondContact O-N 3.4Å
387S75.4Confident82.7Confident34 Ų3449.2 Ų49.224%0.23829%0.293CS..  trans-57.8134.6174-59.30000109.8D385 N389 V390 Q391D385-S387 WeakPolarHBondContact OD1-CB 3.34Å; D385-S387 PolarHBondContact OD1-N 3.19Å; D385-S387 PolarHBondContact OD1-OG 3.43Å; S387-N389 PolarHBondContact O-N 3.44Å; S387-V390 VanDerWaalsContact O-CG2 3.27Å; S387-V390 WeakPolarHBondContact O-CG2 3.43Å; S387-V390 PolarHBondContact O-N 3.08Å; S387-Q391 PolarHBondContact O-N 2.83Å
388G65.8Low82.5Confident61 Ų6149.4 Ų49.463%0.62929%0.294SS*.THydrogen-bonded Turntrans-57.5-20.8-171.100000115.2T386T386-G388 PolarHBondContact O-N 3.4Å
389N68.6Low82.1Confident110 Ų11049.2 Ų49.259%0.58830%0.295SS*.THydrogen-bonded Turntrans-78.9-14.5179.3-59.3-10.9000113.9L187 S387L187-N389 WeakPolarHBondContact CD1-O 3.44Å; S387-N389 PolarHBondContact O-N 3.44Å
390V75.1Confident81.3Confident2 Ų250.1 Ų50.11%0.01230%0.3CS..THydrogen-bonded Turntrans-123.1-14.4-173.9-62.90000113.9F23 L187 V377 I381 D385 S387 D392 L393F23-V390 HydrophobicContact CE2-CG1 3.73Å; F23-V390 HydrophobicContact CZ-CG1 3.78Å; F23-V390 HydrophobicContact CZ-CG2 4.25Å; L187-V390 HydrophobicContact CD1-CG1 4.32Å; V377-V390 HydrophobicContact CG1-CG1 3.87Å; I381-V390 HydrophobicContact CG1-CB 4.01Å; D385-V390 HydrophobicContact CB-CG2 4.48Å; S387-V390 VanDerWaalsContact O-CG2 3.27Å; S387-V390 WeakPolarHBondContact O-CG2 3.43Å; S387-V390 PolarHBondContact O-N 3.08Å; V390-D392 PolarHBondContact O-N 3.35Å; V390-L393 PolarHBondContact O-N 3.29Å
391Q67.8Low81Confident126 Ų12651.1 Ų51.159%0.58931%0.305SS*.THydrogen-bonded Turntrans-67.8-31.9-173.2-169.7172.97.300113.9S387S387-Q391 PolarHBondContact O-N 2.83Å
392D74.9Confident81Confident99 Ų9949.3 Ų49.353%0.52930%0.296SS..THydrogen-bonded Turntrans-93.65.9-177-68.4-15.2000113K191 V390 L394K191-D392 IonicContact NZ-OD2 3.7Å; V390-D392 PolarHBondContact O-N 3.35Å; D392-L394 PolarHBondContact O-N 2.87Å
393L82.6Confident81.1Confident23 Ų2347 Ų4712%0.1228%0.284CS..  trans-80.6117.2-174.3-165.4152.4000111.5I183 G217 F219 V377 I381 V390I183-L393 HydrophobicContact CD1-CD2 4.45Å; I183-L393 HydrophobicContact CG1-CD1 4.26Å; I183-L393 HydrophobicContact CG1-CD2 4.47Å; I183-L393 HydrophobicContact CG2-CD1 3.81Å; G217-L393 WeakPolarHBondContact O-CA 3.41Å; F219-L393 HydrophobicContact CD2-CD1 4.23Å; F219-L393 HydrophobicContact CD2-CD2 4.17Å; F219-L393 HydrophobicContact CD2-CG 3.87Å; F219-L393 HydrophobicContact CE2-CD1 3.69Å; F219-L393 HydrophobicContact CE2-CD2 4.43Å; F219-L393 HydrophobicContact CE2-CG 3.69Å; F219-L393 HydrophobicContact CZ-CD1 4.33Å; V377-L393 HydrophobicContact CG1-CD1 4.08Å; I381-L393 HydrophobicContact CD1-CB 3.76Å; I381-L393 HydrophobicContact CD1-CD1 4.2Å; I381-L393 HydrophobicContact CD1-CD2 3.81Å; I381-L393 HydrophobicContact CD1-CG 4.1Å; V390-L393 PolarHBondContact O-N 3.29Å
394L85.3Confident81.3Confident89 Ų8944.5 Ų44.547%0.46627%0.269SS..EExtended strand (participates in β ladder)trans-115126.7173-17964.9000110.3G217 I218 F219 D392 L396G217-L394 PolarHBondContact O-N 2.92Å; I218-L394 CarbonylContact C-O 3.57Å; I218-L394 WeakPolarHBondContact CA-O 3.47Å; I218-L394 HydrophobicContact CG1-CB 4.31Å; I218-L394 HydrophobicContact CG1-CD2 4.43Å; I218-L394 HydrophobicContact CG2-CD2 4.42Å; F219-L394 PolarHBondContact N-O 3.4Å; D392-L394 PolarHBondContact O-N 2.87Å; L394-L396 HydrophobicContact CG-CG 4.43Å
395L87Confident81.9Confident35 Ų3542.3 Ų42.318%0.18324%0.244CC..EExtended strand (participates in β ladder)trans-105.6123.4177.5-165.881.5000111I175 T179 I183 F219I175-L395 HydrophobicContact CD1-CD2 4.49Å; T179-L395 HydrophobicContact CG2-CD1 3.15Å; T179-L395 HydrophobicContact CG2-CD2 3.73Å; T179-L395 HydrophobicContact CG2-CG 3.84Å; I183-L395 HydrophobicContact CD1-CD1 4.1Å; I183-L395 HydrophobicContact CG1-CD1 4.36Å; F219-L395 HydrophobicContact CB-CD1 3.92Å
396L88.3Confident82.4Confident51 Ų5142.6 Ų42.627%0.26724%0.244SC..EExtended strand (participates in β ladder)trans-118.997.9172.1-61.4176.6000108.6I218 F219 E220 V221 L394 T421I218-L396 HydrophobicContact CG2-CD1 4.15Å; F219-L396 PolarHBondContact O-N 3.47Å; E220-L396 WeakPolarHBondContact CA-O 3.42Å; E220-L396 HydrophobicContact CB-CB 4.26Å; E220-L396 HydrophobicContact CB-CD1 4.47Å; E220-L396 HydrophobicContact CG-CB 3.98Å; E220-L396 HydrophobicContact CG-CD1 4.2Å; V221-L396 PolarHBondContact N-O 3.34Å; L394-L396 HydrophobicContact CG-CG 4.43Å; L396-T421 HydrophobicContact CB-CG2 4.04Å; L396-T421 HydrophobicContact CD2-CG2 4.42Å
397D89Confident83Confident18 Ų1839.4 Ų39.410%0.09623%0.225CC..EExtended strand (participates in β ladder)trans-92.9178.6178.5-145.2-41.5000110.8N176 T179 V221 T421 V422N176-D397 PolarHBondContact ND2-OD1 3.07Å; N176-D397 PolarHBondContact ND2-OD2 3.01Å; T179-D397 PolarHBondContact OG1-OD2 2.91Å; V221-D397 HydrophobicContact CG2-CB 4.48Å; D397-T421 CarbonylContact O-C 3.56Å; D397-T421 VanDerWaalsContact O-CA 3.27Å; D397-T421 WeakPolarHBondContact O-CA 3.35Å; D397-V422 HydrophobicContact CB-CG2 4.16Å; D397-V422 PolarHBondContact O-N 2.76Å
398V89.5Confident83.1Confident3 Ų340.7 Ų40.72%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-133.5158.5-177.3-60.90000113.6V221 T224 N419 T420V221-V398 HydrophobicContact CB-CG1 4.17Å; V221-V398 HydrophobicContact CB-CG2 4.2Å; V221-V398 HydrophobicContact CG1-CG1 4.4Å; V221-V398 HydrophobicContact CG1-CG2 3.67Å; V221-V398 WeakPolarHBondContact O-CG1 3.22Å; T224-V398 HydrophobicContact CG2-CG2 4.22Å; V398-N419 WeakPolarHBondContact CG1-O 3.1Å; V398-N419 HydrophobicContact CG2-CB 4.46Å; V398-T420 CarbonylContact C-O 3.43Å; V398-T420 VanDerWaalsContact CA-O 3.26Å; V398-T420 WeakPolarHBondContact CA-O 3.3Å
399A86.4Confident83.6Confident6 Ų641 Ų415%0.0524%0.24CC..  trans-71.8121.9170.400000110.8L401 I416 R418 N419 T420 V422A399-L401 VanDerWaalsContact C-N 3.35Å; A399-L401 PolarHBondContact O-N 2.98Å; A399-I416 HydrophobicContact CB-CG2 4.37Å; A399-R418 CarbonylContact O-C 3.51Å; A399-R418 WeakPolarHBondContact O-CA 3.48Å; A399-N419 PolarHBondContact O-N 3.38Å; A399-T420 PolarHBondContact N-O 3.19Å; A399-V422 HydrophobicContact CB-CG1 4.19Å
400P78.5Confident84.3Confident18 Ų1836.7 Ų36.712%0.11722%0.222CC..SBendtrans-72.9-26.5-17527.9-35.1000113.7A150 Y151 T224 R418A150-P400 WeakPolarHBondContact O-CB 3.02Å; Y151-P400 HydrophobicContact CD2-CB 4.2Å; T224-P400 HydrophobicContact CG2-CB 3.97Å; P400-R418 WeakPolarHBondContact O-CB 3.48Å
401L85.4Confident84.7Confident25 Ų2539.4 Ų39.413%0.13124%0.238CC..SBendtrans-126.9151.4-179.2-63.7174000110.4Y151 A399 E446Y151-L401 HydrophobicContact CE1-CD2 4.3Å; Y151-L401 HydrophobicContact CE2-CD2 4.21Å; A399-L401 VanDerWaalsContact C-N 3.35Å; A399-L401 PolarHBondContact O-N 2.98Å; L401-E446 HydrophobicContact CB-CB 4.38Å; L401-E446 HydrophobicContact CD1-CB 4.44Å; L401-E446 HydrophobicContact CD1-CG 4.3Å
402S90.3Very high85.7Confident8 Ų834.5 Ų34.56%0.05622%0.216CC..  trans-70.8134.7174.3-60.30000110.1I416 R418 E446 G447 E448S402-I416 CarbonylContact C-O 3.54Å; S402-I416 VanDerWaalsContact CA-O 3.29Å; S402-I416 WeakPolarHBondContact CA-O 3.31Å; S402-R418 PolarHBondContact OG-N 3.02Å; S402-E446 CarbonylContact O-C 3.53Å; S402-E446 VanDerWaalsContact O-CA 3.28Å; S402-E446 WeakPolarHBondContact O-CA 3.46Å; S402-G447 PolarHBondContact O-N 2.81Å; S402-E448 VanDerWaalsContact CB-OE1 3.22Å; S402-E448 WeakPolarHBondContact CB-OE1 3.47Å; S402-E448 PolarHBondContact N-OE1 2.9Å; S402-E448 VanDerWaalsContact OG-CD 3.32Å; S402-E448 PolarHBondContact OG-OE1 3.27Å; S402-E448 PolarHBondContact OG-OE2 3.09Å
403L92.3Very high86.5Confident15 Ų1531.7 Ų31.78%0.07920%0.202CC..EExtended strand (participates in β ladder)trans-109.9131.3179.5-54.2169.2000109L415 I416 Y445 E446 L458 F480 V482 L488L403-L415 PolarHBondContact O-N 3.34Å; L403-I416 HydrophobicContact CB-CB 4.26Å; L403-I416 HydrophobicContact CD1-CB 4.5Å; L403-I416 HydrophobicContact CD1-CD1 4.43Å; L403-I416 PolarHBondContact N-O 3.01Å; L403-I416 PolarHBondContact O-N 2.94Å; L403-I416 VanDerWaalsContact O-N 3.1Å; L403-Y445 WeakPolarHBondContact CA-O 3.25Å; L403-E446 HydrophobicContact CD2-CB 3.76Å; L403-L458 HydrophobicContact CD2-CD1 3.97Å; L403-F480 HydrophobicContact CB-CD1 3.91Å; L403-F480 HydrophobicContact CB-CE1 3.93Å; L403-V482 HydrophobicContact CD1-CG2 3.59Å; L403-L488 HydrophobicContact CB-CD2 4.41Å; L403-L488 HydrophobicContact CD1-CD1 4.18Å; L403-L488 HydrophobicContact CD1-CD2 4.17Å; L403-L488 HydrophobicContact CD2-CD2 4.3Å
404G93.5Very high86.9Confident0 Ų032.4 Ų32.40%021%0.212CC..EExtended strand (participates in β ladder)trans-162.3-174.9-172.400000113.9M412 T413 V444 Y445G404-M412 VanDerWaalsContact CA-CE 3.43Å; G404-M412 VanDerWaalsContact N-CE 3.31Å; G404-T413 CarbonylContact C-O 3.54Å; G404-T413 WeakPolarHBondContact CA-O 3.26Å; G404-V444 CarbonylContact O-C 3.59Å; G404-V444 WeakPolarHBondContact O-CA 3.41Å; G404-Y445 PolarHBondContact N-O 2.89Å; G404-Y445 PolarHBondContact O-N 3.48Å
405I94Very high87.3Confident8 Ų829 Ų294%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-123.6157.1179.765.1175.5000112.5T407 T413 L415 F430 I442 Q443 V444 F480I405-T407 HydrophobicContact CG1-CG2 4.24Å; I405-T413 PolarHBondContact N-O 2.89Å; I405-T413 PolarHBondContact O-N 3.41Å; I405-L415 HydrophobicContact CG1-CD1 4.18Å; I405-F430 HydrophobicContact CD1-CD1 4.05Å; I405-F430 HydrophobicContact CD1-CD2 3.89Å; I405-F430 HydrophobicContact CD1-CE1 3.75Å; I405-F430 HydrophobicContact CD1-CE2 3.57Å; I405-F430 HydrophobicContact CD1-CG 4.12Å; I405-F430 HydrophobicContact CD1-CZ 3.51Å; I405-F430 HydrophobicContact CG1-CE1 4.31Å; I405-F430 HydrophobicContact CG1-CE2 4.49Å; I405-F430 HydrophobicContact CG1-CZ 4.05Å; I405-I442 HydrophobicContact CG2-CG2 3.92Å; I405-Q443 CarbonylContact C-O 3.47Å; I405-Q443 WeakPolarHBondContact CA-O 3.42Å; I405-Q443 WeakPolarHBondContact CB-O 3.41Å; I405-V444 HydrophobicContact CG2-CG2 4.38Å; I405-F480 HydrophobicContact CG2-CE2 3.67Å; I405-F480 HydrophobicContact CG2-CZ 3.49Å; I405-F480 VanDerWaalsContact CG2-CZ 3.49Å
406E89.9Confident87.6Confident60 Ų6027.4 Ų27.428%0.2819%0.185SC..EExtended strand (participates in β ladder)trans-69.4131.5165.5-171.1163.3-94.600111Q443 Y445 T452E406-Q443 HydrophobicContact CB-CB 4.15Å; E406-Q443 PolarHBondContact N-O 3.43Å; E406-Q443 PolarHBondContact OE2-NE2 3.08Å; E406-Q443 PolarHBondContact OE2-OE1 3.39Å; E406-Y445 HydrophobicContact CB-CD2 4.5Å; E406-Y445 HydrophobicContact CB-CE2 3.8Å; E406-T452 HydrophobicContact CB-CG2 3.8Å; E406-T452 HydrophobicContact CG-CG2 3.91Å; E406-T452 WeakPolarHBondContact OE1-CB 3.33Å; E406-T452 PolarHBondContact OE1-OG1 3.32Å
407T84.4Confident87.8Confident37 Ų3732 Ų3223%0.22720%0.203CC..EExtended strand (participates in β ladder)trans-120.4176.4172.654.60000110.3I405 G409 G410 V411 T413 F430I405-T407 HydrophobicContact CG1-CG2 4.24Å; T407-G409 PolarHBondContact O-N 3.3Å; T407-G410 PolarHBondContact O-N 3.22Å; T407-G410 VanDerWaalsContact O-N 3.07Å; T407-V411 PolarHBondContact N-O 3.44Å; T407-V411 PolarHBondContact O-N 2.68Å; T407-V411 PolarHBondContact OG1-O 2.88Å; T407-T413 VanDerWaalsContact CG2-OG1 3.26Å; T407-T413 WeakPolarHBondContact CG2-OG1 3.5Å; T407-T413 PolarHBondContact OG1-OG1 2.99Å; T407-T413 VanDerWaalsContact OG1-OG1 3.08Å; T407-F430 HydrophobicContact CG2-CD1 4.34Å; T407-F430 HydrophobicContact CG2-CE1 3.96Å
408A76.8Confident87.9Confident61 Ų6132.7 Ų32.750%0.50420%0.204SC..THydrogen-bonded Turntrans-47.4131.3-176.600000112.5Y433A408-Y433 HydrophobicContact CB-CD2 3.56Å; A408-Y433 HydrophobicContact CB-CE2 3.47Å; A408-Y433 VanDerWaalsContact CB-CE2 3.47Å
409G76.3Confident87.9Confident67 Ų6733.7 Ų33.769%0.69121%0.21SC*.THydrogen-bonded Turntrans84.89.2-177.900000115.5T407 V411 M451T407-G409 PolarHBondContact O-N 3.3Å; G409-V411 VanDerWaalsContact C-N 3.34Å; G409-M451 WeakPolarHBondContact O-CE 3.47Å
410G82.7Confident88.2Confident20 Ų2035.2 Ų35.221%0.20622%0.219CC..THydrogen-bonded Turntrans76.523.6179.800000113.2T407 M451 T452T407-G410 PolarHBondContact O-N 3.22Å; T407-G410 VanDerWaalsContact O-N 3.07Å; G410-M451 WeakPolarHBondContact O-CE 3.07Å; G410-T452 PolarHBondContact O-N 3.42Å; G410-T452 PolarHBondContact O-OG1 3.39Å; G410-T452 VanDerWaalsContact O-OG1 3.1Å
411V84.3Confident88.8Confident59 Ų5936.9 Ų36.936%0.35823%0.228SC..EExtended strand (participates in β ladder)trans-88.3134.2-177.1-179.60000109.6T407 G409 T413 M451T407-V411 PolarHBondContact N-O 3.44Å; T407-V411 PolarHBondContact O-N 2.68Å; T407-V411 PolarHBondContact OG1-O 2.88Å; G409-V411 VanDerWaalsContact C-N 3.34Å; V411-T413 PolarHBondContact O-N 3.23Å; V411-M451 HydrophobicContact CG2-SD 4.35Å
412M89.3Confident88.9Confident23 Ų2336.2 Ų36.211%0.11323%0.225CC..EExtended strand (participates in β ladder)trans-75.9118.5173.5177.659.4168.200110G404 Y445 A450 T452G404-M412 VanDerWaalsContact CA-CE 3.43Å; G404-M412 VanDerWaalsContact N-CE 3.31Å; M412-Y445 WeakPolarHBondContact CE-O 3.46Å; M412-Y445 HydrophobicContact SD-CG 4.49Å; M412-A450 PolarHBondContact N-O 3.35Å; M412-T452 HydrophobicContact CB-CG2 4.1Å; M412-T452 HydrophobicContact SD-CG2 4.5Å
413T90.7Very high88.9Confident39 Ų3940 Ų4024%0.23925%0.25CC..EExtended strand (participates in β ladder)trans-107.8108170.2-65.10000109.2G404 I405 T407 V411 L415 F430G404-T413 CarbonylContact C-O 3.54Å; G404-T413 WeakPolarHBondContact CA-O 3.26Å; I405-T413 PolarHBondContact N-O 2.89Å; I405-T413 PolarHBondContact O-N 3.41Å; T407-T413 VanDerWaalsContact CG2-OG1 3.26Å; T407-T413 WeakPolarHBondContact CG2-OG1 3.5Å; T407-T413 PolarHBondContact OG1-OG1 2.99Å; T407-T413 VanDerWaalsContact OG1-OG1 3.08Å; V411-T413 PolarHBondContact O-N 3.23Å; T413-L415 WeakPolarHBondContact O-CD1 3.22Å; T413-F430 HydrophobicContact CG2-CE1 4.21Å; T413-F430 HydrophobicContact CG2-CZ 4.25Å
414A90.9Very high89Confident39 Ų3940.3 Ų40.332%0.32225%0.252SS..EExtended strand (participates in β ladder)trans-76.9128.2179.200000111.6
415L93.9Very high89.1Confident18 Ų1846.6 Ų46.69%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-97.3-41.2173.8-80.575.8000111L403 I405 T413 Q428 F430 V478 F480L403-L415 PolarHBondContact O-N 3.34Å; I405-L415 HydrophobicContact CG1-CD1 4.18Å; T413-L415 WeakPolarHBondContact O-CD1 3.22Å; L415-Q428 HydrophobicContact CD2-CB 4.09Å; L415-Q428 HydrophobicContact CG-CB 4.32Å; L415-F430 HydrophobicContact CD1-CE2 4.29Å; L415-F430 HydrophobicContact CD1-CZ 3.94Å; L415-F430 HydrophobicContact CD2-CE2 4.26Å; L415-V478 HydrophobicContact CD2-CG1 4.34Å; L415-F480 HydrophobicContact CB-CD1 4.46Å; L415-F480 HydrophobicContact CB-CD2 4.31Å; L415-F480 HydrophobicContact CB-CG 4.23Å; L415-F480 HydrophobicContact CD1-CE2 4.36Å; L415-F480 HydrophobicContact CD2-CD2 3.5Å; L415-F480 VanDerWaalsContact CD2-CD2 3.5Å; L415-F480 HydrophobicContact CD2-CE2 3.75Å; L415-F480 HydrophobicContact CD2-CG 4.2Å; L415-F480 HydrophobicContact CG-CD2 4.39Å; L415-F480 HydrophobicContact CG-CE2 4.48Å
416I93.9Very high89.1Confident1 Ų150.2 Ų50.21%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-112.5117.5171.7-62.7172.2000106.5A399 S402 L403 T420 T424 Q426 F480 V482A399-I416 HydrophobicContact CB-CG2 4.37Å; S402-I416 CarbonylContact C-O 3.54Å; S402-I416 VanDerWaalsContact CA-O 3.29Å; S402-I416 WeakPolarHBondContact CA-O 3.31Å; L403-I416 HydrophobicContact CB-CB 4.26Å; L403-I416 HydrophobicContact CD1-CB 4.5Å; L403-I416 HydrophobicContact CD1-CD1 4.43Å; L403-I416 PolarHBondContact N-O 3.01Å; L403-I416 PolarHBondContact O-N 2.94Å; L403-I416 VanDerWaalsContact O-N 3.1Å; I416-T420 HydrophobicContact CG2-CG2 4.2Å; I416-T424 HydrophobicContact CD1-CG2 4.04Å; I416-T424 HydrophobicContact CG2-CG2 4.24Å; I416-Q426 HydrophobicContact CG1-CB 3.9Å; I416-Q426 HydrophobicContact CG1-CG 3.68Å; I416-F480 HydrophobicContact CD1-CB 3.65Å; I416-F480 HydrophobicContact CG1-CB 4.16Å; I416-V482 HydrophobicContact CD1-CB 4.44Å; I416-V482 HydrophobicContact CD1-CG2 3.46Å; I416-V482 VanDerWaalsContact CD1-CG2 3.46Å
417K92.4Very high89.4Confident146 Ų14650.5 Ų50.564%0.63530%0.302SS*.  trans-79.8152.5177.7-63.9-177.8-178.1177.60109.7T420K417-T420 VanDerWaalsContact O-CB 3.26Å; K417-T420 WeakPolarHBondContact O-CB 3.48Å; K417-T420 PolarHBondContact O-N 3.16Å; K417-T420 PolarHBondContact O-OG1 2.77Å
418R89.8Confident89.8Confident33 Ų3352.6 Ų52.613%0.12531%0.31CS..THydrogen-bonded Turntrans-54151.216964.3179.2-72.3-119.9-3.9111.7T224 K321 D325 A399 P400 S402 T420 E448T224-R418 PolarHBondContact O-NH2 3Å; K321-R418 VanDerWaalsContact CE-CZ 3.44Å; D325-R418 IonicContact OD1-NH1 2.67Å; D325-R418 PolarHBondContact OD1-NH1 3.27Å; D325-R418 IonicContact OD2-CZ 2.77Å; D325-R418 IonicContact OD2-NH1 3.02Å; D325-R418 PolarHBondContact OD2-NH1 3.21Å; D325-R418 IonicContact OD2-NH2 3.71Å; D325-R418 PolarHBondContact OD2-NH2 3.13Å; A399-R418 CarbonylContact O-C 3.51Å; A399-R418 WeakPolarHBondContact O-CA 3.48Å; P400-R418 WeakPolarHBondContact O-CB 3.48Å; S402-R418 PolarHBondContact OG-N 3.02Å; R418-T420 PolarHBondContact O-N 3.24Å; R418-E448 WeakPolarHBondContact CD-OE1 3.41Å; R418-E448 WeakPolarHBondContact CD-OE2 3.45Å
419N90Very high90.6Very high25 Ų2553 Ų5313%0.13431%0.305CS..THydrogen-bonded Turntrans6313.4-172-51.5-49.8000114.9A223 T224 D325 V398 A399A223-N419 WeakPolarHBondContact CA-OD1 3.19Å; T224-N419 PolarHBondContact N-OD1 2.67Å; D325-N419 WeakPolarHBondContact CB-ND2 3.29Å; V398-N419 WeakPolarHBondContact CG1-O 3.1Å; V398-N419 HydrophobicContact CG2-CB 4.46Å; A399-N419 PolarHBondContact O-N 3.38Å
420T92.3Very high91.3Very high38 Ų3851.8 Ų51.823%0.23328%0.281CS..  trans-70.9130.5168.3-57.10000109.1V398 A399 I416 K417 R418 T424V398-T420 CarbonylContact C-O 3.43Å; V398-T420 VanDerWaalsContact CA-O 3.26Å; V398-T420 WeakPolarHBondContact CA-O 3.3Å; A399-T420 PolarHBondContact N-O 3.19Å; I416-T420 HydrophobicContact CG2-CG2 4.2Å; K417-T420 VanDerWaalsContact O-CB 3.26Å; K417-T420 WeakPolarHBondContact O-CB 3.48Å; K417-T420 PolarHBondContact O-N 3.16Å; K417-T420 PolarHBondContact O-OG1 2.77Å; R418-T420 PolarHBondContact O-N 3.24Å; T420-T424 HydrophobicContact CG2-CG2 3.95Å
421T92.4Very high91.6Very high53 Ų5353.1 Ų53.133%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-55.8136177.3-47.80000111.6L396 D397 T424L396-T421 HydrophobicContact CB-CG2 4.04Å; L396-T421 HydrophobicContact CD2-CG2 4.42Å; D397-T421 CarbonylContact O-C 3.56Å; D397-T421 VanDerWaalsContact O-CA 3.27Å; D397-T421 WeakPolarHBondContact O-CA 3.35Å; T421-T424 VanDerWaalsContact O-CB 3.24Å; T421-T424 WeakPolarHBondContact O-CB 3.5Å; T421-T424 WeakPolarHBondContact O-CG2 3.4Å
422V87.2Confident91.7Very high11 Ų1150.7 Ų50.77%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-114.2144.3176.6-64.50000110.5D397 A399 T424 V482D397-V422 HydrophobicContact CB-CG2 4.16Å; D397-V422 PolarHBondContact O-N 2.76Å; A399-V422 HydrophobicContact CB-CG1 4.19Å; V422-T424 HydrophobicContact CG1-CG2 4.21Å; V422-V482 HydrophobicContact CB-CG1 4.31Å; V422-V482 HydrophobicContact CG1-CB 4.25Å; V422-V482 HydrophobicContact CG1-CG1 3.61Å
423P90.1Very high91.4Very high87 Ų8757.5 Ų57.557%0.56530%0.299SS*.SBendcis-71.9148.32.330.5-35.5000113.4V482P423-V482 CarbonylContact C-O 3.59Å; P423-V482 WeakPolarHBondContact CA-O 3.37Å; P423-V482 VanDerWaalsContact CB-O 3.31Å; P423-V482 WeakPolarHBondContact CB-O 3.34Å
424T93.8Very high91.2Very high22 Ų2258.5 Ų58.514%0.13531%0.307CS..EExtended strand (participates in β ladder)trans-148.4149.6179.7176.70000111.7I416 T420 T421 V422 V482I416-T424 HydrophobicContact CD1-CG2 4.04Å; I416-T424 HydrophobicContact CG2-CG2 4.24Å; T420-T424 HydrophobicContact CG2-CG2 3.95Å; T421-T424 VanDerWaalsContact O-CB 3.24Å; T421-T424 WeakPolarHBondContact O-CB 3.5Å; T421-T424 WeakPolarHBondContact O-CG2 3.4Å; V422-T424 HydrophobicContact CG1-CG2 4.21Å; T424-V482 HydrophobicContact CG2-CB 4.29Å; T424-V482 PolarHBondContact N-O 2.71Å; T424-V482 PolarHBondContact O-N 3.4Å
425K95.1Very high91Very high131 Ų13161.3 Ų61.357%0.5732%0.316SS*.EExtended strand (participates in β ladder)trans-126.2126.8174.5-172.1176.1-177.1175.90110.2T479 F480 D481K425-T479 HydrophobicContact CD-CG2 4.19Å; K425-T479 HydrophobicContact CG-CG2 3.85Å; K425-F480 CarbonylContact C-O 3.54Å; K425-F480 VanDerWaalsContact CA-O 3.28Å; K425-F480 WeakPolarHBondContact CA-O 3.31Å; K425-D481 HydrophobicContact CG-CB 4.3Å
426Q95.3Very high90.8Very high85 Ų8565.2 Ų65.240%0.39734%0.338SS..EExtended strand (participates in β ladder)trans-126.6136.7177-67.4-63.4-17.800110.2I416 T479 F480I416-Q426 HydrophobicContact CG1-CB 3.9Å; I416-Q426 HydrophobicContact CG1-CG 3.68Å; Q426-T479 CarbonylContact O-C 3.53Å; Q426-T479 WeakPolarHBondContact O-CA 3.49Å; Q426-F480 PolarHBondContact N-O 3.19Å; Q426-F480 PolarHBondContact O-N 3.27Å
427T95.1Very high90.5Very high66 Ų6667.3 Ų67.341%0.40535%0.347SS..EExtended strand (participates in β ladder)trans-129.8131.4-177.3-62.80000109.7E477 V478 T479T427-E477 VanDerWaalsContact CG2-CD 3.42Å; T427-E477 HydrophobicContact CG2-CG 3.19Å; T427-V478 WeakPolarHBondContact CA-O 3.49Å; T427-T479 WeakPolarHBondContact CG2-OG1 3.24Å; T427-T479 WeakPolarHBondContact OG1-CG2 3.31Å; T427-T479 PolarHBondContact OG1-OG1 2.75Å
428Q93.4Very high90.3Very high81 Ų8165 Ų6538%0.37935%0.347SS..EExtended strand (participates in β ladder)trans-139.5141.8178.4-175169.6-12.300110.9L415 F430 V478L415-Q428 HydrophobicContact CD2-CB 4.09Å; L415-Q428 HydrophobicContact CG-CB 4.32Å; Q428-F430 HydrophobicContact CB-CE2 3.83Å; Q428-F430 HydrophobicContact CB-CZ 4.27Å; Q428-F430 HydrophobicContact CG-CE2 3.85Å; Q428-F430 HydrophobicContact CG-CZ 3.93Å; Q428-V478 PolarHBondContact N-O 3.06Å; Q428-V478 PolarHBondContact O-N 2.88Å
429V93.4Very high90.2Very high69 Ų6963.7 Ų63.742%0.41835%0.345SS..EExtended strand (participates in β ladder)trans-92.9128.6178.8-177.90000110Q475 I476 E477V429-Q475 HydrophobicContact CG1-CB 4Å; V429-Q475 HydrophobicContact CG1-CG 4.35Å; V429-I476 CarbonylContact C-O 3.59Å; V429-I476 WeakPolarHBondContact CA-O 3.49Å; V429-E477 HydrophobicContact CG2-CB 4.48Å
430F90.8Very high90.1Very high41 Ų4163.2 Ų63.218%0.1834%0.342CS..EExtended strand (participates in β ladder)trans-116.1173.9173.6-64.4-87.9000110I405 T407 T413 L415 Q428 I476 V478I405-F430 HydrophobicContact CD1-CD1 4.05Å; I405-F430 HydrophobicContact CD1-CD2 3.89Å; I405-F430 HydrophobicContact CD1-CE1 3.75Å; I405-F430 HydrophobicContact CD1-CE2 3.57Å; I405-F430 HydrophobicContact CD1-CG 4.12Å; I405-F430 HydrophobicContact CD1-CZ 3.51Å; I405-F430 HydrophobicContact CG1-CE1 4.31Å; I405-F430 HydrophobicContact CG1-CE2 4.49Å; I405-F430 HydrophobicContact CG1-CZ 4.05Å; T407-F430 HydrophobicContact CG2-CD1 4.34Å; T407-F430 HydrophobicContact CG2-CE1 3.96Å; T413-F430 HydrophobicContact CG2-CE1 4.21Å; T413-F430 HydrophobicContact CG2-CZ 4.25Å; L415-F430 HydrophobicContact CD1-CE2 4.29Å; L415-F430 HydrophobicContact CD1-CZ 3.94Å; L415-F430 HydrophobicContact CD2-CE2 4.26Å; Q428-F430 HydrophobicContact CB-CE2 3.83Å; Q428-F430 HydrophobicContact CB-CZ 4.27Å; Q428-F430 HydrophobicContact CG-CE2 3.85Å; Q428-F430 HydrophobicContact CG-CZ 3.93Å; F430-I476 PolarHBondContact N-O 2.76Å; F430-I476 PolarHBondContact O-N 3.4Å; F430-V478 HydrophobicContact CD2-CB 3.98Å; F430-V478 HydrophobicContact CD2-CG2 3.72Å; F430-V478 HydrophobicContact CE2-CB 4.08Å; F430-V478 HydrophobicContact CE2-CG2 4.26Å
431S88.9Confident89.9Confident48 Ų4865.6 Ų65.634%0.33635%0.353SS..  trans-142.6172.9177.7-162.80000111.9G472 V473 P474S431-G472 WeakPolarHBondContact OG-CA 3.31Å; S431-G472 PolarHBondContact OG-O 2.87Å; S431-V473 PolarHBondContact OG-N 2.8Å; S431-P474 WeakPolarHBondContact CA-O 3.27Å; S431-P474 WeakPolarHBondContact CB-O 3.5Å; S431-P474 PolarHBondContact OG-O 2.77Å
432T87.3Confident89.8Confident9 Ų963.5 Ų63.56%0.05534%0.34CS..  trans-69.7148178.4530000111.9Q437 V440 I466 G472 P474T432-Q437 HydrophobicContact CG2-CB 3.85Å; T432-Q437 HydrophobicContact CG2-CG 4.08Å; T432-V440 HydrophobicContact CG2-CG1 4.06Å; T432-I466 HydrophobicContact CG2-CD1 4.34Å; T432-G472 PolarHBondContact O-N 3.08Å; T432-P474 HydrophobicContact CG2-CB 4Å; T432-P474 HydrophobicContact CG2-CG 3.74Å; T432-P474 WeakPolarHBondContact OG1-CD 3.32Å
433Y83.1Confident90Very high166 Ų16664.6 Ų64.665%0.65134%0.344SS*.SBendtrans-89.3-24179.6-178.6-108.6000112.4A408A408-Y433 HydrophobicContact CB-CD2 3.56Å; A408-Y433 HydrophobicContact CB-CE2 3.47Å; A408-Y433 VanDerWaalsContact CB-CE2 3.47Å
434S85.1Confident90Very high60 Ų6060.5 Ų60.542%0.4232%0.318SS..SBendtrans-127.1153.6-177.9-61.30000112.1Q437S434-Q437 WeakPolarHBondContact O-CB 3.2Å
435D88.1Confident89.8Confident97 Ų9760.2 Ų60.252%0.51931%0.314SS..THydrogen-bonded Turntrans-63.1139.5174.1-64.2-21.9000110.6Q437 R471D435-Q437 PolarHBondContact O-N 2.83Å; D435-Q437 VanDerWaalsContact O-N 3.14Å; D435-R471 WeakPolarHBondContact OD1-CB 3.42Å; D435-R471 WeakPolarHBondContact OD1-CG 3.2Å; D435-R471 PolarHBondContact OD1-N 2.95Å
436N89.4Confident89.4Confident101 Ų10154.5 Ų54.554%0.5429%0.289SS..THydrogen-bonded Turntrans55.328.1178.4-53.5-50.7000114.3P438 P468 A469N436-P438 WeakPolarHBondContact O-CD 3.4Å; N436-P468 HydrophobicContact CB-CB 4.18Å; N436-P468 WeakPolarHBondContact OD1-CB 3.45Å; N436-A469 PolarHBondContact N-O 3Å; N436-A469 PolarHBondContact OD1-N 3.44Å
437Q87.4Confident88.8Confident44 Ų4450.9 Ų50.921%0.20628%0.275CS..  trans-63.1116.9178.4176.4172.3-4.100110.6T432 S434 D435 G439T432-Q437 HydrophobicContact CG2-CB 3.85Å; T432-Q437 HydrophobicContact CG2-CG 4.08Å; S434-Q437 WeakPolarHBondContact O-CB 3.2Å; D435-Q437 PolarHBondContact O-N 2.83Å; D435-Q437 VanDerWaalsContact O-N 3.14Å; Q437-G439 VanDerWaalsContact C-N 3.3Å; Q437-G439 WeakPolarHBondContact CG-O 3.26Å; Q437-G439 PolarHBondContact NE2-O 3.06Å; Q437-G439 PolarHBondContact O-N 2.88Å
438P87.5Confident88.4Confident97 Ų9752.1 Ų52.163%0.6328%0.276SS*.  trans-78.7-11.9-171.231.5-36.5000114.1N436 G465 I466N436-P438 WeakPolarHBondContact O-CD 3.4Å; P438-G465 PolarHBondContact O-N 3.4Å; P438-I466 PolarHBondContact O-N 2.87Å
439G87.6Confident87.8Confident7 Ų755 Ų557%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-166.5159.1179.800000112.5Q437 L463Q437-G439 VanDerWaalsContact C-N 3.3Å; Q437-G439 WeakPolarHBondContact CG-O 3.26Å; Q437-G439 PolarHBondContact NE2-O 3.06Å; Q437-G439 PolarHBondContact O-N 2.88Å; G439-L463 CarbonylContact C-O 3.51Å; G439-L463 WeakPolarHBondContact CA-O 3.47Å
440V88.1Confident87.3Confident15 Ų1555.3 Ų55.39%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-116.9128.7176.8-66.10000110.4T432 I442 E462 L463 I466 I476T432-V440 HydrophobicContact CG2-CG1 4.06Å; V440-I442 HydrophobicContact CG2-CD1 4.46Å; V440-I442 HydrophobicContact CG2-CG1 4.39Å; V440-E462 WeakPolarHBondContact O-CA 3.36Å; V440-L463 HydrophobicContact CG2-CB 3.8Å; V440-L463 HydrophobicContact CG2-CD2 4.2Å; V440-L463 HydrophobicContact CG2-CG 4.47Å; V440-L463 PolarHBondContact N-O 2.91Å; V440-L463 PolarHBondContact O-N 2.89Å; V440-I466 HydrophobicContact CB-CD1 4.36Å; V440-I466 HydrophobicContact CG1-CD1 3.74Å; V440-I466 HydrophobicContact CG2-CD1 4.07Å; V440-I476 HydrophobicContact CG1-CG1 4.44Å; V440-I476 HydrophobicContact CG2-CG1 4.28Å; V440-I476 HydrophobicContact CG2-CG2 4.1Å
441L88.8Confident86.9Confident87 Ų8756.6 Ų56.646%0.45530%0.301SS..EExtended strand (participates in β ladder)trans-86.7118.3171.3179.364000108.6Q443 R460L441-Q443 HydrophobicContact CD2-CG 4.35Å; L441-Q443 HydrophobicContact CG-CG 4.2Å; L441-R460 HydrophobicContact CD1-CB 4.3Å; L441-R460 HydrophobicContact CD1-CG 4.46Å
442I90.1Very high86.8Confident10 Ų1054.6 Ų54.65%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-102.6116.6177.7-61.4172.6000107.3I405 V440 V444 R460 F461 V478 A492I405-I442 HydrophobicContact CG2-CG2 3.92Å; V440-I442 HydrophobicContact CG2-CD1 4.46Å; V440-I442 HydrophobicContact CG2-CG1 4.39Å; I442-V444 HydrophobicContact CG2-CG2 4.21Å; I442-R460 CarbonylContact O-C 3.58Å; I442-R460 WeakPolarHBondContact O-CA 3.4Å; I442-R460 WeakPolarHBondContact O-CB 3.47Å; I442-F461 HydrophobicContact CB-CD1 4.12Å; I442-F461 HydrophobicContact CB-CE1 3.75Å; I442-F461 HydrophobicContact CB-CE2 4.38Å; I442-F461 HydrophobicContact CB-CZ 3.9Å; I442-F461 HydrophobicContact CD1-CE1 4.4Å; I442-F461 HydrophobicContact CD1-CE2 3.78Å; I442-F461 HydrophobicContact CD1-CZ 3.66Å; I442-F461 HydrophobicContact CG1-CZ 4.37Å; I442-F461 HydrophobicContact CG2-CD1 4.27Å; I442-F461 HydrophobicContact CG2-CE1 3.53Å; I442-F461 HydrophobicContact CG2-CZ 3.83Å; I442-F461 PolarHBondContact N-O 2.86Å; I442-F461 PolarHBondContact O-N 3.03Å; I442-V478 HydrophobicContact CD1-CG2 3.98Å; I442-A492 HydrophobicContact CD1-CB 3.15Å
443Q90.8Very high86.6Confident34 Ų3462.2 Ų62.216%0.15932%0.319CS..EExtended strand (participates in β ladder)trans-110.8122.6174.9-70.7160.4-13200108.6I405 E406 L441 Y445 L457 R460I405-Q443 CarbonylContact C-O 3.47Å; I405-Q443 WeakPolarHBondContact CA-O 3.42Å; I405-Q443 WeakPolarHBondContact CB-O 3.41Å; E406-Q443 HydrophobicContact CB-CB 4.15Å; E406-Q443 PolarHBondContact N-O 3.43Å; E406-Q443 PolarHBondContact OE2-NE2 3.08Å; E406-Q443 PolarHBondContact OE2-OE1 3.39Å; L441-Q443 HydrophobicContact CD2-CG 4.35Å; L441-Q443 HydrophobicContact CG-CG 4.2Å; Q443-Y445 HydrophobicContact CB-CD2 4.42Å; Q443-Y445 HydrophobicContact CB-CE2 3.5Å; Q443-Y445 PolarHBondContact NE2-OH 2.73Å; Q443-Y445 WeakPolarHBondContact O-CD2 3.46Å; Q443-L457 HydrophobicContact CB-CD1 4.2Å; Q443-R460 HydrophobicContact CB-CB 4.39Å; Q443-R460 HydrophobicContact CG-CB 3.74Å
444V91.2Very high86.4Confident0 Ų057.7 Ų57.70%031%0.306CS..EExtended strand (participates in β ladder)trans-102.2133.5-174-178.20000109.3G404 I405 I442 L457 L458 G459 F461 F480 L488 V490 I505G404-V444 CarbonylContact O-C 3.59Å; G404-V444 WeakPolarHBondContact O-CA 3.41Å; I405-V444 HydrophobicContact CG2-CG2 4.38Å; I442-V444 HydrophobicContact CG2-CG2 4.21Å; V444-L457 WeakPolarHBondContact O-CD1 3.22Å; V444-L458 HydrophobicContact CB-CB 4.49Å; V444-L458 HydrophobicContact CG1-CB 4.25Å; V444-L458 HydrophobicContact CG1-CD1 4.24Å; V444-L458 PolarHBondContact O-N 3.15Å; V444-G459 PolarHBondContact N-O 3.37Å; V444-G459 PolarHBondContact O-N 3.16Å; V444-F461 HydrophobicContact CG2-CE1 4.33Å; V444-F480 HydrophobicContact CG1-CE1 3.88Å; V444-F480 HydrophobicContact CG1-CZ 3.87Å; V444-F480 HydrophobicContact CG2-CZ 4.29Å; V444-L488 HydrophobicContact CG1-CD2 3.75Å; V444-V490 HydrophobicContact CG1-CG2 4.09Å; V444-V490 HydrophobicContact CG2-CB 4.29Å; V444-V490 HydrophobicContact CG2-CG1 4.11Å; V444-V490 HydrophobicContact CG2-CG2 4.01Å; V444-I505 HydrophobicContact CB-CD1 3.97Å; V444-I505 HydrophobicContact CG1-CD1 4.09Å; V444-I505 HydrophobicContact CG1-CG1 4.4Å; V444-I505 HydrophobicContact CG2-CD1 4.02Å
445Y89Confident86.2Confident16 Ų1655.9 Ų55.96%0.06329%0.292CS..EExtended strand (participates in β ladder)trans-130.9157-177-64.6-100.2000111.7L403 G404 E406 M412 Q443 T452 N455 N456 L457L403-Y445 WeakPolarHBondContact CA-O 3.25Å; G404-Y445 PolarHBondContact N-O 2.89Å; G404-Y445 PolarHBondContact O-N 3.48Å; E406-Y445 HydrophobicContact CB-CD2 4.5Å; E406-Y445 HydrophobicContact CB-CE2 3.8Å; M412-Y445 WeakPolarHBondContact CE-O 3.46Å; M412-Y445 HydrophobicContact SD-CG 4.49Å; Q443-Y445 HydrophobicContact CB-CD2 4.42Å; Q443-Y445 HydrophobicContact CB-CE2 3.5Å; Q443-Y445 PolarHBondContact NE2-OH 2.73Å; Q443-Y445 WeakPolarHBondContact O-CD2 3.46Å; Y445-T452 HydrophobicContact CD2-CG2 3.91Å; Y445-T452 HydrophobicContact CE1-CG2 4.43Å; Y445-T452 WeakPolarHBondContact CE1-O 3.12Å; Y445-T452 HydrophobicContact CE2-CG2 3.84Å; Y445-T452 HydrophobicContact CG-CG2 4.28Å; Y445-N455 HydrophobicContact CD1-CB 4.22Å; Y445-N456 CarbonylContact C-O 3.58Å; Y445-N456 WeakPolarHBondContact CA-O 3.24Å; Y445-N456 WeakPolarHBondContact CB-O 3.29Å; Y445-L457 HydrophobicContact CD1-CB 4.05Å; Y445-L457 HydrophobicContact CD1-CD1 4.25Å; Y445-L457 HydrophobicContact CD2-CD1 4.39Å; Y445-L457 HydrophobicContact CE1-CB 3.75Å; Y445-L457 HydrophobicContact CE1-CD1 3.74Å; Y445-L457 HydrophobicContact CE1-CG 4.33Å; Y445-L457 HydrophobicContact CE2-CD1 3.86Å
446E86.8Confident85.9Confident11 Ų1153.6 Ų53.65%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-120137.2163.764.5-176.4172.300110.5N153 D154 L401 S402 L403 N455 N456 L458N153-E446 VanDerWaalsContact CB-OE1 3.29Å; N153-E446 WeakPolarHBondContact CB-OE1 3.24Å; D154-E446 PolarHBondContact N-OE2 3.15Å; L401-E446 HydrophobicContact CB-CB 4.38Å; L401-E446 HydrophobicContact CD1-CB 4.44Å; L401-E446 HydrophobicContact CD1-CG 4.3Å; S402-E446 CarbonylContact O-C 3.53Å; S402-E446 VanDerWaalsContact O-CA 3.28Å; S402-E446 WeakPolarHBondContact O-CA 3.46Å; L403-E446 HydrophobicContact CD2-CB 3.76Å; E446-N455 WeakPolarHBondContact O-CB 3.44Å; E446-N456 HydrophobicContact CG-CB 3.73Å; E446-N456 PolarHBondContact N-O 2.91Å; E446-N456 PolarHBondContact O-N 2.85Å; E446-N456 PolarHBondContact OE1-ND2 3.08Å; E446-L458 HydrophobicContact CB-CD1 3.94Å; E446-L458 HydrophobicContact CB-CD2 4.47Å; E446-L458 HydrophobicContact CB-CG 4.18Å; E446-L458 VanDerWaalsContact CD-CD2 3.47Å; E446-L458 HydrophobicContact CG-CD1 4.24Å; E446-L458 HydrophobicContact CG-CD2 3.85Å; E446-L458 HydrophobicContact CG-CG 3.98Å; E446-L458 WeakPolarHBondContact OE1-CD2 3.29Å
447G83.7Confident85.7Confident10 Ų1052 Ų5210%0.10327%0.27CS..SBendtrans141.6171.6174.900000114.6S402 N455S402-G447 PolarHBondContact O-N 2.81Å; G447-N455 VanDerWaalsContact C-OD1 3.25Å; G447-N455 WeakPolarHBondContact CA-OD1 3.42Å
448E85.1Confident85.5Confident91 Ų9149.9 Ų49.943%0.42526%0.261SS..SBendtrans-104.90.7-171.2-54.3-53.1127.100113.9S402 R418 N455S402-E448 VanDerWaalsContact CB-OE1 3.22Å; S402-E448 WeakPolarHBondContact CB-OE1 3.47Å; S402-E448 PolarHBondContact N-OE1 2.9Å; S402-E448 VanDerWaalsContact OG-CD 3.32Å; S402-E448 PolarHBondContact OG-OE1 3.27Å; S402-E448 PolarHBondContact OG-OE2 3.09Å; R418-E448 WeakPolarHBondContact CD-OE1 3.41Å; R418-E448 WeakPolarHBondContact CD-OE2 3.45Å; E448-N455 PolarHBondContact N-OD1 3.02Å
449R82.3Confident85.3Confident143 Ų14346 Ų4654%0.5424%0.238SC..  trans-79.9147-178.1-57.8-82.8-69.4-127.1-4.8109.9M451 D454 N455R449-M451 VanDerWaalsContact C-N 3.29Å; R449-M451 PolarHBondContact O-N 3.35Å; R449-D454 HydrophobicContact CB-CB 3.71Å; R449-D454 HydrophobicContact CG-CB 3.74Å; R449-D454 IonicContact CZ-OD2 3.53Å; R449-D454 IonicContact NE-OD2 3.59Å; R449-D454 PolarHBondContact NE-OD2 3.43Å; R449-D454 IonicContact NH2-OD1 3.92Å; R449-D454 IonicContact NH2-OD2 3.14Å; R449-D454 PolarHBondContact NH2-OD2 2.85Å; R449-N455 VanDerWaalsContact CB-OD1 3.24Å; R449-N455 WeakPolarHBondContact CB-OD1 3.36Å; R449-N455 PolarHBondContact N-OD1 3.03Å; R449-N455 PolarHBondContact O-ND2 2.79Å
450A82.3Confident85.4Confident75 Ų7552.4 Ų52.462%0.6226%0.26SS*.SBendtrans-67-30179.900000113.4M412M412-A450 PolarHBondContact N-O 3.35Å
451M82.6Confident85.4Confident67 Ų6752.5 Ų52.533%0.3326%0.259SS..BIsolated β-bridgetrans-105.4134.6-179-57-58.1-65.100110.3G409 G410 V411 R449 K453 D454 N455G409-M451 WeakPolarHBondContact O-CE 3.47Å; G410-M451 WeakPolarHBondContact O-CE 3.07Å; V411-M451 HydrophobicContact CG2-SD 4.35Å; R449-M451 VanDerWaalsContact C-N 3.29Å; R449-M451 PolarHBondContact O-N 3.35Å; M451-K453 VanDerWaalsContact C-N 3.27Å; M451-K453 HydrophobicContact CB-CG 4.05Å; M451-K453 PolarHBondContact O-N 2.89Å; M451-D454 PolarHBondContact O-N 3.18Å; M451-D454 VanDerWaalsContact O-N 3.12Å; M451-N455 PolarHBondContact O-ND2 3.01Å
452T85.8Confident85.3Confident6 Ų653.3 Ų53.34%0.03726%0.261CS..G310 helixtrans-61.2-32.5-177.7520000113.7E406 G410 M412 Y445 D454 N455E406-T452 HydrophobicContact CB-CG2 3.8Å; E406-T452 HydrophobicContact CG-CG2 3.91Å; E406-T452 WeakPolarHBondContact OE1-CB 3.33Å; E406-T452 PolarHBondContact OE1-OG1 3.32Å; G410-T452 PolarHBondContact O-N 3.42Å; G410-T452 PolarHBondContact O-OG1 3.39Å; G410-T452 VanDerWaalsContact O-OG1 3.1Å; M412-T452 HydrophobicContact CB-CG2 4.1Å; M412-T452 HydrophobicContact SD-CG2 4.5Å; Y445-T452 HydrophobicContact CD2-CG2 3.91Å; Y445-T452 HydrophobicContact CE1-CG2 4.43Å; Y445-T452 WeakPolarHBondContact CE1-O 3.12Å; Y445-T452 HydrophobicContact CE2-CG2 3.84Å; Y445-T452 HydrophobicContact CG-CG2 4.28Å; T452-D454 PolarHBondContact O-N 2.96Å; T452-D454 VanDerWaalsContact O-N 3.12Å; T452-N455 PolarHBondContact O-N 3.07Å
453K83.3Confident85.2Confident169 Ų16953 Ų5374%0.73526%0.259SS*.G310 helixtrans-59.1-21.7176.368.5174.4-173.1176.80114.4M451M451-K453 VanDerWaalsContact C-N 3.27Å; M451-K453 HydrophobicContact CB-CG 4.05Å; M451-K453 PolarHBondContact O-N 2.89Å
454D78.8Confident85.1Confident71 Ų7155.3 Ų55.338%0.3828%0.276SS..G310 helixtrans-101.70.2180-59.5-28.6000112R449 M451 T452R449-D454 HydrophobicContact CB-CB 3.71Å; R449-D454 HydrophobicContact CG-CB 3.74Å; R449-D454 IonicContact CZ-OD2 3.53Å; R449-D454 IonicContact NE-OD2 3.59Å; R449-D454 PolarHBondContact NE-OD2 3.43Å; R449-D454 IonicContact NH2-OD1 3.92Å; R449-D454 IonicContact NH2-OD2 3.14Å; R449-D454 PolarHBondContact NH2-OD2 2.85Å; M451-D454 PolarHBondContact O-N 3.18Å; M451-D454 VanDerWaalsContact O-N 3.12Å; T452-D454 PolarHBondContact O-N 2.96Å; T452-D454 VanDerWaalsContact O-N 3.12Å
455N81.9Confident84.9Confident23 Ų2356.9 Ų56.912%0.12329%0.292CS..SBendtrans-106.9168.6177.1-70.7-42.8000110.5Y445 E446 G447 E448 R449 M451 T452Y445-N455 HydrophobicContact CD1-CB 4.22Å; E446-N455 WeakPolarHBondContact O-CB 3.44Å; G447-N455 VanDerWaalsContact C-OD1 3.25Å; G447-N455 WeakPolarHBondContact CA-OD1 3.42Å; E448-N455 PolarHBondContact N-OD1 3.02Å; R449-N455 VanDerWaalsContact CB-OD1 3.24Å; R449-N455 WeakPolarHBondContact CB-OD1 3.36Å; R449-N455 PolarHBondContact N-OD1 3.03Å; R449-N455 PolarHBondContact O-ND2 2.79Å; M451-N455 PolarHBondContact O-ND2 3.01Å; T452-N455 PolarHBondContact O-N 3.07Å
456N81Confident84.8Confident48 Ų4856.5 Ų56.526%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-84.9124.8177.5-172.136000110.4Y445 E446 L458Y445-N456 CarbonylContact C-O 3.58Å; Y445-N456 WeakPolarHBondContact CA-O 3.24Å; Y445-N456 WeakPolarHBondContact CB-O 3.29Å; E446-N456 HydrophobicContact CG-CB 3.73Å; E446-N456 PolarHBondContact N-O 2.91Å; E446-N456 PolarHBondContact O-N 2.85Å; E446-N456 PolarHBondContact OE1-ND2 3.08Å; N456-L458 PolarHBondContact O-N 3.33Å
457L85.6Confident84.9Confident67 Ų6758.6 Ų58.635%0.35131%0.306SS..EExtended strand (participates in β ladder)trans-77119.8173.317670.5000109.1Q443 V444 Y445Q443-L457 HydrophobicContact CB-CD1 4.2Å; V444-L457 WeakPolarHBondContact O-CD1 3.22Å; Y445-L457 HydrophobicContact CD1-CB 4.05Å; Y445-L457 HydrophobicContact CD1-CD1 4.25Å; Y445-L457 HydrophobicContact CD2-CD1 4.39Å; Y445-L457 HydrophobicContact CE1-CB 3.75Å; Y445-L457 HydrophobicContact CE1-CD1 3.74Å; Y445-L457 HydrophobicContact CE1-CG 4.33Å; Y445-L457 HydrophobicContact CE2-CD1 3.86Å
458L83.3Confident85.3Confident1 Ų163.3 Ų63.31%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-89.6-37.5178.4-71-176.6000112.9D154 L403 V444 E446 N456 L488 I505 N507D154-L458 HydrophobicContact CB-CD2 3.93Å; L403-L458 HydrophobicContact CD2-CD1 3.97Å; V444-L458 HydrophobicContact CB-CB 4.49Å; V444-L458 HydrophobicContact CG1-CB 4.25Å; V444-L458 HydrophobicContact CG1-CD1 4.24Å; V444-L458 PolarHBondContact O-N 3.15Å; E446-L458 HydrophobicContact CB-CD1 3.94Å; E446-L458 HydrophobicContact CB-CD2 4.47Å; E446-L458 HydrophobicContact CB-CG 4.18Å; E446-L458 VanDerWaalsContact CD-CD2 3.47Å; E446-L458 HydrophobicContact CG-CD1 4.24Å; E446-L458 HydrophobicContact CG-CD2 3.85Å; E446-L458 HydrophobicContact CG-CG 3.98Å; E446-L458 WeakPolarHBondContact OE1-CD2 3.29Å; N456-L458 PolarHBondContact O-N 3.33Å; L458-L488 HydrophobicContact CD1-CD2 4.05Å; L458-I505 HydrophobicContact CB-CG2 3.83Å; L458-I505 HydrophobicContact CD1-CG2 4.46Å; L458-N507 PolarHBondContact O-OD1 2.9Å
459G84.6Confident85.6Confident15 Ų1559.9 Ų59.916%0.15532%0.321CS..EExtended strand (participates in β ladder)trans179.5169.8-175.900000112.8V444V444-G459 PolarHBondContact N-O 3.37Å; V444-G459 PolarHBondContact O-N 3.16Å
460R88.7Confident86Confident141 Ų14157 Ų5753%0.53232%0.321SS..EExtended strand (participates in β ladder)trans-149.3147.1173.171.4-174.9-174.6-175.62.7111.7L441 I442 Q443L441-R460 HydrophobicContact CD1-CB 4.3Å; L441-R460 HydrophobicContact CD1-CG 4.46Å; I442-R460 CarbonylContact O-C 3.58Å; I442-R460 WeakPolarHBondContact O-CA 3.4Å; I442-R460 WeakPolarHBondContact O-CB 3.47Å; Q443-R460 HydrophobicContact CB-CB 4.39Å; Q443-R460 HydrophobicContact CG-CB 3.74Å
461F87.1Confident86.3Confident17 Ų1761.7 Ų61.78%0.07532%0.323CS..EExtended strand (participates in β ladder)trans-149.8156.6175.664.6-75.2000110I442 V444 V490 A492 N501 I503I442-F461 HydrophobicContact CB-CD1 4.12Å; I442-F461 HydrophobicContact CB-CE1 3.75Å; I442-F461 HydrophobicContact CB-CE2 4.38Å; I442-F461 HydrophobicContact CB-CZ 3.9Å; I442-F461 HydrophobicContact CD1-CE1 4.4Å; I442-F461 HydrophobicContact CD1-CE2 3.78Å; I442-F461 HydrophobicContact CD1-CZ 3.66Å; I442-F461 HydrophobicContact CG1-CZ 4.37Å; I442-F461 HydrophobicContact CG2-CD1 4.27Å; I442-F461 HydrophobicContact CG2-CE1 3.53Å; I442-F461 HydrophobicContact CG2-CZ 3.83Å; I442-F461 PolarHBondContact N-O 2.86Å; I442-F461 PolarHBondContact O-N 3.03Å; V444-F461 HydrophobicContact CG2-CE1 4.33Å; F461-V490 HydrophobicContact CE1-CB 4.27Å; F461-V490 HydrophobicContact CE1-CG1 3.86Å; F461-V490 HydrophobicContact CZ-CG1 3.93Å; F461-A492 HydrophobicContact CE2-CB 3.74Å; F461-A492 HydrophobicContact CZ-CB 3.97Å; F461-N501 HydrophobicContact CD2-CB 4.21Å; F461-N501 HydrophobicContact CE2-CB 4.47Å; F461-N501 WeakPolarHBondContact CE2-O 3.27Å; F461-I503 HydrophobicContact CB-CB 4.3Å; F461-I503 HydrophobicContact CB-CD1 4.32Å; F461-I503 HydrophobicContact CD1-CB 3.78Å; F461-I503 HydrophobicContact CD1-CD1 4.44Å; F461-I503 HydrophobicContact CD1-CG2 3.21Å; F461-I503 HydrophobicContact CE1-CB 4.26Å; F461-I503 HydrophobicContact CE1-CG2 3.33Å; F461-I503 HydrophobicContact CG-CB 4.07Å; F461-I503 HydrophobicContact CG-CG2 4Å; F461-I503 HydrophobicContact CZ-CG2 4.2Å
462E87.6Confident86.4Confident104 Ų10461.1 Ų61.149%0.48633%0.334SS..EExtended strand (participates in β ladder)trans-112.7127.4-177.7-166.5178.7-177.200110.5V440 T464 N501V440-E462 WeakPolarHBondContact O-CA 3.36Å; E462-T464 HydrophobicContact CB-CG2 4.34Å; E462-T464 HydrophobicContact CG-CG2 3.72Å; E462-N501 PolarHBondContact O-ND2 2.82Å
463L88.6Confident86.7Confident4 Ų465 Ų652%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-93.7107.8168.8177.768.4000108.1G439 V440 I476 A492 D494 N501G439-L463 CarbonylContact C-O 3.51Å; G439-L463 WeakPolarHBondContact CA-O 3.47Å; V440-L463 HydrophobicContact CG2-CB 3.8Å; V440-L463 HydrophobicContact CG2-CD2 4.2Å; V440-L463 HydrophobicContact CG2-CG 4.47Å; V440-L463 PolarHBondContact N-O 2.91Å; V440-L463 PolarHBondContact O-N 2.89Å; L463-I476 HydrophobicContact CD2-CD1 4.04Å; L463-I476 HydrophobicContact CD2-CG2 3.75Å; L463-A492 HydrophobicContact CD2-CB 4.27Å; L463-D494 HydrophobicContact CD2-CB 4.25Å; L463-N501 HydrophobicContact CD1-CB 3.86Å
464T89.1Confident87Confident82 Ų8257.4 Ų57.450%0.50333%0.326SS..EExtended strand (participates in β ladder)trans-103.5163.7-175.260.40000112.8E462E462-T464 HydrophobicContact CB-CG2 4.34Å; E462-T464 HydrophobicContact CG-CG2 3.72Å
465G85.6Confident87.6Confident33 Ų3359.2 Ų59.234%0.3433%0.332SS..  trans77.534.5174.300000113.3P438 K499P438-G465 PolarHBondContact O-N 3.4Å; G465-K499 PolarHBondContact O-NZ 3.45Å
466I88Confident88.1Confident9 Ų958.3 Ų58.35%0.04633%0.327CS..PPolyproline II helixtrans-72.3128.6168.1-60.6174000107.9T432 P438 V440 P474 I476T432-I466 HydrophobicContact CG2-CD1 4.34Å; P438-I466 PolarHBondContact O-N 2.87Å; V440-I466 HydrophobicContact CB-CD1 4.36Å; V440-I466 HydrophobicContact CG1-CD1 3.74Å; V440-I466 HydrophobicContact CG2-CD1 4.07Å; I466-P474 HydrophobicContact CG2-CB 3.89Å; I466-P474 HydrophobicContact CG2-CG 3.89Å; I466-I476 HydrophobicContact CD1-CD1 3.8Å; I466-I476 HydrophobicContact CD1-CG1 4.48Å; I466-I476 HydrophobicContact CG1-CD1 4.31Å
467P89.2Confident88.8Confident55 Ų5558.5 Ų58.536%0.35733%0.326SS..PPolyproline II helixtrans-60.6146.9177.7-23.434000112.5A469 T497P467-A469 PolarHBondContact O-N 2.86Å; P467-A469 VanDerWaalsContact O-N 3.13Å; P467-T497 HydrophobicContact CG-CG2 3.54Å
468P91.1Very high89.2Confident108 Ų10855.3 Ų55.370%0.70131%0.31SS*.PPolyproline II helixtrans-58.1117.8174.2-23.834000111.6N436N436-P468 HydrophobicContact CB-CB 4.18Å; N436-P468 WeakPolarHBondContact OD1-CB 3.45Å
469A91.1Very high89.7Confident19 Ų1955.8 Ų55.816%0.15731%0.313CS..  trans-148157.7177.500000110.3N436 P467 V473 P474N436-A469 PolarHBondContact N-O 3Å; N436-A469 PolarHBondContact OD1-N 3.44Å; P467-A469 PolarHBondContact O-N 2.86Å; P467-A469 VanDerWaalsContact O-N 3.13Å; A469-V473 HydrophobicContact CB-CB 4.16Å; A469-V473 HydrophobicContact CB-CG1 4.19Å; A469-P474 HydrophobicContact CB-CG 4.09Å
470P91.1Very high90.2Very high83 Ų8355.1 Ų55.154%0.53931%0.305SS..  trans-56.1150.2170.8-22.633.1000111.9G472 V473P470-G472 PolarHBondContact O-N 2.86Å; P470-V473 HydrophobicContact CB-CG2 4.02Å; P470-V473 HydrophobicContact CG-CG2 4.33Å; P470-V473 WeakPolarHBondContact O-CB 3.38Å; P470-V473 WeakPolarHBondContact O-CG2 3.32Å; P470-V473 PolarHBondContact O-N 3.41Å
471R87.9Confident90.4Very high174 Ų17451.4 Ų51.466%0.65730%0.296SS*.THydrogen-bonded Turntrans-52.4141.5175.170.3-177.5-175.9167.4-0.6110.8D435 V473D435-R471 WeakPolarHBondContact OD1-CB 3.42Å; D435-R471 WeakPolarHBondContact OD1-CG 3.2Å; D435-R471 PolarHBondContact OD1-N 2.95Å; R471-V473 VanDerWaalsContact C-N 3.27Å; R471-V473 PolarHBondContact O-N 2.95Å
472G85Confident90.4Very high54 Ų5450.7 Ų50.756%0.55729%0.293SS*.THydrogen-bonded Turntrans82.3-6.9-179.500000115.5S431 T432 P470S431-G472 WeakPolarHBondContact OG-CA 3.31Å; S431-G472 PolarHBondContact OG-O 2.87Å; T432-G472 PolarHBondContact O-N 3.08Å; P470-G472 PolarHBondContact O-N 2.86Å
473V91.3Very high90.3Very high88 Ų8847.9 Ų47.953%0.53328%0.282SS..  trans-86.7-46.6179.5177.70000113.2S431 A469 P470 R471 Q475S431-V473 PolarHBondContact OG-N 2.8Å; A469-V473 HydrophobicContact CB-CB 4.16Å; A469-V473 HydrophobicContact CB-CG1 4.19Å; P470-V473 HydrophobicContact CB-CG2 4.02Å; P470-V473 HydrophobicContact CG-CG2 4.33Å; P470-V473 WeakPolarHBondContact O-CB 3.38Å; P470-V473 WeakPolarHBondContact O-CG2 3.32Å; P470-V473 PolarHBondContact O-N 3.41Å; R471-V473 VanDerWaalsContact C-N 3.27Å; R471-V473 PolarHBondContact O-N 2.95Å; V473-Q475 PolarHBondContact O-N 2.9Å
474P90.2Very high90Very high10 Ų1049.6 Ų49.67%0.06530%0.296CS..SBendtrans-58.9137.1177.2-26.437.2000111.9S431 T432 I466 A469 I476S431-P474 WeakPolarHBondContact CA-O 3.27Å; S431-P474 WeakPolarHBondContact CB-O 3.5Å; S431-P474 PolarHBondContact OG-O 2.77Å; T432-P474 HydrophobicContact CG2-CB 4Å; T432-P474 HydrophobicContact CG2-CG 3.74Å; T432-P474 WeakPolarHBondContact OG1-CD 3.32Å; I466-P474 HydrophobicContact CG2-CB 3.89Å; I466-P474 HydrophobicContact CG2-CG 3.89Å; A469-P474 HydrophobicContact CB-CG 4.09Å; P474-I476 HydrophobicContact CB-CD1 4.38Å
475Q92.1Very high89.3Confident109 Ų10947.1 Ų47.151%0.50928%0.28SS..  trans-107.9100.2179.6-68.5-172.3-2.100109.9V429 V473 K495V429-Q475 HydrophobicContact CG1-CB 4Å; V429-Q475 HydrophobicContact CG1-CG 4.35Å; V473-Q475 PolarHBondContact O-N 2.9Å; Q475-K495 HydrophobicContact CB-CB 4.13Å; Q475-K495 HydrophobicContact CB-CG 4.43Å; Q475-K495 PolarHBondContact O-N 2.73Å
476I92Very high88.8Confident3 Ų346.7 Ų46.72%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-98.8104.7-179.6-48.7-53.7000108.8V429 F430 V440 L463 I466 P474 V478 A492 D494V429-I476 CarbonylContact C-O 3.59Å; V429-I476 WeakPolarHBondContact CA-O 3.49Å; F430-I476 PolarHBondContact N-O 2.76Å; F430-I476 PolarHBondContact O-N 3.4Å; V440-I476 HydrophobicContact CG1-CG1 4.44Å; V440-I476 HydrophobicContact CG2-CG1 4.28Å; V440-I476 HydrophobicContact CG2-CG2 4.1Å; L463-I476 HydrophobicContact CD2-CD1 4.04Å; L463-I476 HydrophobicContact CD2-CG2 3.75Å; I466-I476 HydrophobicContact CD1-CD1 3.8Å; I466-I476 HydrophobicContact CD1-CG1 4.48Å; I466-I476 HydrophobicContact CG1-CD1 4.31Å; P474-I476 HydrophobicContact CB-CD1 4.38Å; I476-V478 HydrophobicContact CG2-CG2 4.23Å; I476-V478 PolarHBondContact O-N 2.93Å; I476-A492 HydrophobicContact CG2-CB 4.34Å; I476-D494 HydrophobicContact CD1-CB 3.92Å
477E94.8Very high88.3Confident52 Ų5247.6 Ų47.624%0.24328%0.28CS..EExtended strand (participates in β ladder)trans-83.4112.2176.7-173.3168.5-105.400110.2T427 V429 A492 V493 K495T427-E477 VanDerWaalsContact CG2-CD 3.42Å; T427-E477 HydrophobicContact CG2-CG 3.19Å; V429-E477 HydrophobicContact CG2-CB 4.48Å; E477-A492 CarbonylContact O-C 3.59Å; E477-A492 VanDerWaalsContact O-CA 3.24Å; E477-A492 WeakPolarHBondContact O-CA 3.49Å; E477-V493 PolarHBondContact N-O 3.02Å; E477-V493 PolarHBondContact O-N 2.82Å; E477-K495 HydrophobicContact CB-CG 4.26Å; E477-K495 WeakPolarHBondContact OE1-CE 3.42Å; E477-K495 IonicContact OE1-NZ 3.39Å; E477-K495 PolarHBondContact OE1-NZ 3.34Å
478V93.9Very high88.1Confident1 Ų145.1 Ų45.11%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-102.5129176.4-176.50000108.8L415 T427 Q428 F430 I442 I476 F480 V490 S491 A492L415-V478 HydrophobicContact CD2-CG1 4.34Å; T427-V478 WeakPolarHBondContact CA-O 3.49Å; Q428-V478 PolarHBondContact N-O 3.06Å; Q428-V478 PolarHBondContact O-N 2.88Å; F430-V478 HydrophobicContact CD2-CB 3.98Å; F430-V478 HydrophobicContact CD2-CG2 3.72Å; F430-V478 HydrophobicContact CE2-CB 4.08Å; F430-V478 HydrophobicContact CE2-CG2 4.26Å; I442-V478 HydrophobicContact CD1-CG2 3.98Å; I476-V478 HydrophobicContact CG2-CG2 4.23Å; I476-V478 PolarHBondContact O-N 2.93Å; V478-F480 HydrophobicContact CG1-CD2 4.02Å; V478-F480 HydrophobicContact CG1-CE2 3.7Å; V478-V490 HydrophobicContact CG1-CG1 3.98Å; V478-S491 CarbonylContact C-O 3.52Å; V478-S491 WeakPolarHBondContact CA-O 3.32Å; V478-A492 HydrophobicContact CG2-CB 4.18Å
479T95.1Very high87.9Confident11 Ų1142.4 Ų42.47%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-121.2127.3-177.7-66.10000110K425 Q426 T427 V490 S491K425-T479 HydrophobicContact CD-CG2 4.19Å; K425-T479 HydrophobicContact CG-CG2 3.85Å; Q426-T479 CarbonylContact O-C 3.53Å; Q426-T479 WeakPolarHBondContact O-CA 3.49Å; T427-T479 WeakPolarHBondContact CG2-OG1 3.24Å; T427-T479 WeakPolarHBondContact OG1-CG2 3.31Å; T427-T479 PolarHBondContact OG1-OG1 2.75Å; T479-V490 CarbonylContact O-C 3.46Å; T479-V490 VanDerWaalsContact O-CA 3.29Å; T479-V490 WeakPolarHBondContact O-CA 3.5Å; T479-S491 PolarHBondContact N-O 3.03Å; T479-S491 PolarHBondContact O-N 3.09Å
480F94.8Very high87.8Confident0 Ų041.6 Ų41.60%024%0.236CC..EExtended strand (participates in β ladder)trans-106.7123.9172.7-80.8-131.5000108L403 I405 L415 I416 K425 Q426 V444 V478 L488 V490L403-F480 HydrophobicContact CB-CD1 3.91Å; L403-F480 HydrophobicContact CB-CE1 3.93Å; I405-F480 HydrophobicContact CG2-CE2 3.67Å; I405-F480 HydrophobicContact CG2-CZ 3.49Å; I405-F480 VanDerWaalsContact CG2-CZ 3.49Å; L415-F480 HydrophobicContact CB-CD1 4.46Å; L415-F480 HydrophobicContact CB-CD2 4.31Å; L415-F480 HydrophobicContact CB-CG 4.23Å; L415-F480 HydrophobicContact CD1-CE2 4.36Å; L415-F480 HydrophobicContact CD2-CD2 3.5Å; L415-F480 VanDerWaalsContact CD2-CD2 3.5Å; L415-F480 HydrophobicContact CD2-CE2 3.75Å; L415-F480 HydrophobicContact CD2-CG 4.2Å; L415-F480 HydrophobicContact CG-CD2 4.39Å; L415-F480 HydrophobicContact CG-CE2 4.48Å; I416-F480 HydrophobicContact CD1-CB 3.65Å; I416-F480 HydrophobicContact CG1-CB 4.16Å; K425-F480 CarbonylContact C-O 3.54Å; K425-F480 VanDerWaalsContact CA-O 3.28Å; K425-F480 WeakPolarHBondContact CA-O 3.31Å; Q426-F480 PolarHBondContact N-O 3.19Å; Q426-F480 PolarHBondContact O-N 3.27Å; V444-F480 HydrophobicContact CG1-CE1 3.88Å; V444-F480 HydrophobicContact CG1-CZ 3.87Å; V444-F480 HydrophobicContact CG2-CZ 4.29Å; V478-F480 HydrophobicContact CG1-CD2 4.02Å; V478-F480 HydrophobicContact CG1-CE2 3.7Å; F480-L488 HydrophobicContact CB-CD1 3.96Å; F480-L488 HydrophobicContact CD1-CD1 3.62Å; F480-L488 HydrophobicContact CD1-CD2 3.98Å; F480-L488 HydrophobicContact CD1-CG 4.43Å; F480-L488 HydrophobicContact CE1-CD1 4.41Å; F480-L488 HydrophobicContact CE1-CD2 3.96Å; F480-L488 HydrophobicContact CG-CD1 4.04Å; F480-V490 HydrophobicContact CD1-CG2 4.18Å; F480-V490 HydrophobicContact CD2-CG1 3.85Å; F480-V490 HydrophobicContact CD2-CG2 4.06Å; F480-V490 HydrophobicContact CE1-CG2 4.11Å; F480-V490 HydrophobicContact CE2-CB 4.46Å; F480-V490 HydrophobicContact CE2-CG1 3.57Å; F480-V490 HydrophobicContact CE2-CG2 3.99Å; F480-V490 HydrophobicContact CG-CG2 4.15Å; F480-V490 HydrophobicContact CZ-CG1 4.22Å; F480-V490 HydrophobicContact CZ-CG2 4.01Å
481D91.9Very high87.9Confident64 Ų6438.7 Ų38.734%0.34222%0.218SC..EExtended strand (participates in β ladder)trans-126.2109-179.7-176.37.3000109.1K425 N489K425-D481 HydrophobicContact CG-CB 4.3Å; D481-N489 HydrophobicContact CB-CB 4.28Å; D481-N489 PolarHBondContact N-O 3.2Å; D481-N489 PolarHBondContact O-N 3.07Å
482V87.9Confident88.1Confident2 Ų230.4 Ų30.41%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-104.4121.7-178.5-178.90000108.8L403 I416 V422 P423 T424 I487 L488L403-V482 HydrophobicContact CD1-CG2 3.59Å; I416-V482 HydrophobicContact CD1-CB 4.44Å; I416-V482 HydrophobicContact CD1-CG2 3.46Å; I416-V482 VanDerWaalsContact CD1-CG2 3.46Å; V422-V482 HydrophobicContact CB-CG1 4.31Å; V422-V482 HydrophobicContact CG1-CB 4.25Å; V422-V482 HydrophobicContact CG1-CG1 3.61Å; P423-V482 CarbonylContact C-O 3.59Å; P423-V482 WeakPolarHBondContact CA-O 3.37Å; P423-V482 VanDerWaalsContact CB-O 3.31Å; P423-V482 WeakPolarHBondContact CB-O 3.34Å; T424-V482 HydrophobicContact CG2-CB 4.29Å; T424-V482 PolarHBondContact N-O 2.71Å; T424-V482 PolarHBondContact O-N 3.4Å; V482-I487 WeakPolarHBondContact CA-O 3.05Å; V482-L488 HydrophobicContact CG2-CB 4.46Å; V482-L488 HydrophobicContact CG2-CD1 3.69Å
483D85.2Confident88.5Confident45 Ų4529.3 Ų29.324%0.24117%0.169CC..  trans-79.8-179.9-178.385.4-5.8000113.1N485 G486 I487D483-N485 PolarHBondContact O-N 2.83Å; D483-N485 VanDerWaalsContact OD1-CA 3.32Å; D483-N485 WeakPolarHBondContact OD1-CA 3.46Å; D483-N485 VanDerWaalsContact OD1-CB 3.32Å; D483-N485 WeakPolarHBondContact OD1-CB 3.44Å; D483-N485 PolarHBondContact OD1-N 2.74Å; D483-N485 PolarHBondContact OD2-ND2 3.49Å; D483-N485 VanDerWaalsContact OD2-ND2 3.16Å; D483-G486 PolarHBondContact O-N 3.2Å; D483-G486 PolarHBondContact OD1-N 2.96Å; D483-G486 VanDerWaalsContact OD1-N 3.07Å; D483-I487 PolarHBondContact N-O 2.88Å; D483-I487 WeakPolarHBondContact OD1-CB 3.42Å; D483-I487 PolarHBondContact OD1-N 3Å
484A83Confident88.5Confident39 Ų3925.1 Ų25.132%0.32214%0.144SC..THydrogen-bonded Turntrans-75-2.6-178.600000114.7R173R173-A484 VanDerWaalsContact NH1-CB 3.3Å; R173-A484 PolarHBondContact NH1-O 2.9Å
485N73.2Confident88.6Confident30 Ų3029.5 Ų29.516%0.1616%0.162CC..THydrogen-bonded Turntrans-96.6-4.4167.7-57.8-69.2000111.9R173 D483 I487R173-N485 WeakPolarHBondContact CD-OD1 3.38Å; D483-N485 PolarHBondContact O-N 2.83Å; D483-N485 VanDerWaalsContact OD1-CA 3.32Å; D483-N485 WeakPolarHBondContact OD1-CA 3.46Å; D483-N485 VanDerWaalsContact OD1-CB 3.32Å; D483-N485 WeakPolarHBondContact OD1-CB 3.44Å; D483-N485 PolarHBondContact OD1-N 2.74Å; D483-N485 PolarHBondContact OD2-ND2 3.49Å; D483-N485 VanDerWaalsContact OD2-ND2 3.16Å; N485-I487 HydrophobicContact CB-CD1 4.08Å; N485-I487 HydrophobicContact CB-CG1 4.06Å
486G76.2Confident88.4Confident25 Ų2528.4 Ų28.426%0.25817%0.166SC..  trans81.515.2-171.900000114.3D483D483-G486 PolarHBondContact O-N 3.2Å; D483-G486 PolarHBondContact OD1-N 2.96Å; D483-G486 VanDerWaalsContact OD1-N 3.07Å
487I77.9Confident88.2Confident27 Ų2731 Ų3114%0.13818%0.183CC..  trans-82.9129.3179.7-61.1171.6000109.7V482 D483 N485V482-I487 WeakPolarHBondContact CA-O 3.05Å; D483-I487 PolarHBondContact N-O 2.88Å; D483-I487 WeakPolarHBondContact OD1-CB 3.42Å; D483-I487 PolarHBondContact OD1-N 3Å; N485-I487 HydrophobicContact CB-CD1 4.08Å; N485-I487 HydrophobicContact CB-CG1 4.06Å
488L83.7Confident87.8Confident3 Ų331.2 Ų31.22%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-91.8129.3-177176.463.3000112.7L403 V444 L458 F480 V482 V490 I505L403-L488 HydrophobicContact CB-CD2 4.41Å; L403-L488 HydrophobicContact CD1-CD1 4.18Å; L403-L488 HydrophobicContact CD1-CD2 4.17Å; L403-L488 HydrophobicContact CD2-CD2 4.3Å; V444-L488 HydrophobicContact CG1-CD2 3.75Å; L458-L488 HydrophobicContact CD1-CD2 4.05Å; F480-L488 HydrophobicContact CB-CD1 3.96Å; F480-L488 HydrophobicContact CD1-CD1 3.62Å; F480-L488 HydrophobicContact CD1-CD2 3.98Å; F480-L488 HydrophobicContact CD1-CG 4.43Å; F480-L488 HydrophobicContact CE1-CD1 4.41Å; F480-L488 HydrophobicContact CE1-CD2 3.96Å; F480-L488 HydrophobicContact CG-CD1 4.04Å; V482-L488 HydrophobicContact CG2-CB 4.46Å; V482-L488 HydrophobicContact CG2-CD1 3.69Å; L488-V490 HydrophobicContact CD1-CG2 3.89Å; L488-V490 HydrophobicContact CD2-CG2 3.75Å; L488-V490 HydrophobicContact CG-CG2 3.68Å; L488-I505 HydrophobicContact CB-CB 4.33Å; L488-I505 HydrophobicContact CB-CG1 4.38Å; L488-I505 HydrophobicContact CD2-CG1 3.95Å; L488-I505 HydrophobicContact CG-CB 4.47Å; L488-I505 HydrophobicContact CG-CG1 3.97Å; L488-I505 VanDerWaalsContact O-CB 3.28Å; L488-I505 WeakPolarHBondContact O-CB 3.49Å; L488-I505 PolarHBondContact O-N 2.88Å
489N86.8Confident87.5Confident51 Ų5136 Ų3627%0.27322%0.219SC..EExtended strand (participates in β ladder)trans-112.4128.3166.1-59.4-89.5000108.8D481 T504D481-N489 HydrophobicContact CB-CB 4.28Å; D481-N489 PolarHBondContact N-O 3.2Å; D481-N489 PolarHBondContact O-N 3.07Å; N489-T504 WeakPolarHBondContact OD1-CB 3Å; N489-T504 VanDerWaalsContact OD1-CG2 3.23Å; N489-T504 WeakPolarHBondContact OD1-CG2 3.48Å; N489-T504 PolarHBondContact OD1-OG1 3.34Å
490V89.6Confident87.2Confident2 Ų240.7 Ų40.71%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-119.2122.7178.3-174.50000110V444 F461 V478 T479 F480 L488 K502 I503 I505V444-V490 HydrophobicContact CG1-CG2 4.09Å; V444-V490 HydrophobicContact CG2-CB 4.29Å; V444-V490 HydrophobicContact CG2-CG1 4.11Å; V444-V490 HydrophobicContact CG2-CG2 4.01Å; F461-V490 HydrophobicContact CE1-CB 4.27Å; F461-V490 HydrophobicContact CE1-CG1 3.86Å; F461-V490 HydrophobicContact CZ-CG1 3.93Å; V478-V490 HydrophobicContact CG1-CG1 3.98Å; T479-V490 CarbonylContact O-C 3.46Å; T479-V490 VanDerWaalsContact O-CA 3.29Å; T479-V490 WeakPolarHBondContact O-CA 3.5Å; F480-V490 HydrophobicContact CD1-CG2 4.18Å; F480-V490 HydrophobicContact CD2-CG1 3.85Å; F480-V490 HydrophobicContact CD2-CG2 4.06Å; F480-V490 HydrophobicContact CE1-CG2 4.11Å; F480-V490 HydrophobicContact CE2-CB 4.46Å; F480-V490 HydrophobicContact CE2-CG1 3.57Å; F480-V490 HydrophobicContact CE2-CG2 3.99Å; F480-V490 HydrophobicContact CG-CG2 4.15Å; F480-V490 HydrophobicContact CZ-CG1 4.22Å; F480-V490 HydrophobicContact CZ-CG2 4.01Å; L488-V490 HydrophobicContact CD1-CG2 3.89Å; L488-V490 HydrophobicContact CD2-CG2 3.75Å; L488-V490 HydrophobicContact CG-CG2 3.68Å; V490-K502 CarbonylContact O-C 3.49Å; V490-K502 WeakPolarHBondContact O-CA 3.13Å; V490-I503 CarbonylContact C-O 3.52Å; V490-I503 HydrophobicContact CB-CG2 3.95Å; V490-I503 PolarHBondContact N-O 2.81Å; V490-I503 CarbonylContact O-C 3.43Å; V490-I503 PolarHBondContact O-N 3.46Å; V490-I505 HydrophobicContact CG2-CD1 4.25Å; V490-I505 HydrophobicContact CG2-CG1 3.86Å
491S92.6Very high86.7Confident22 Ų2243.8 Ų43.815%0.15426%0.257CS..EExtended strand (participates in β ladder)trans-117.9153.1171.1670000111.5V478 T479 E500V478-S491 CarbonylContact C-O 3.52Å; V478-S491 WeakPolarHBondContact CA-O 3.32Å; T479-S491 PolarHBondContact N-O 3.03Å; T479-S491 PolarHBondContact O-N 3.09Å; S491-E500 WeakPolarHBondContact CB-OE1 3.34Å
492A92.4Very high86.3Confident0 Ų047.5 Ų47.50%027%0.27CS..EExtended strand (participates in β ladder)trans-134.7129.2173.700000110.5I442 F461 L463 I476 E477 V478 E500 N501I442-A492 HydrophobicContact CD1-CB 3.15Å; F461-A492 HydrophobicContact CE2-CB 3.74Å; F461-A492 HydrophobicContact CZ-CB 3.97Å; L463-A492 HydrophobicContact CD2-CB 4.27Å; I476-A492 HydrophobicContact CG2-CB 4.34Å; E477-A492 CarbonylContact O-C 3.59Å; E477-A492 VanDerWaalsContact O-CA 3.24Å; E477-A492 WeakPolarHBondContact O-CA 3.49Å; V478-A492 HydrophobicContact CG2-CB 4.18Å; A492-E500 WeakPolarHBondContact O-CA 3.49Å; A492-N501 PolarHBondContact N-O 3.15Å; A492-N501 PolarHBondContact O-N 3.35Å; A492-N501 VanDerWaalsContact O-O 3.05Å
493V93.6Very high85.6Confident31 Ų3148.8 Ų48.819%0.18828%0.276CS..EExtended strand (participates in β ladder)trans-124.9126.2-178-174.20000109.2E477 K495 K499 E500E477-V493 PolarHBondContact N-O 3.02Å; E477-V493 PolarHBondContact O-N 2.82Å; V493-K495 PolarHBondContact O-N 3.44Å; V493-K499 WeakPolarHBondContact CA-O 3.42Å; V493-E500 HydrophobicContact CG2-CB 3.95Å; V493-E500 HydrophobicContact CG2-CG 3.8Å
494D92.7Very high84.8Confident1 Ų149.5 Ų49.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-76.7111.3164.6170.810.4000108.8L463 I476 S496 T497 G498 K499L463-D494 HydrophobicContact CD2-CB 4.25Å; I476-D494 HydrophobicContact CD1-CB 3.92Å; D494-S496 VanDerWaalsContact CG-OG 3.26Å; D494-S496 PolarHBondContact O-N 3.19Å; D494-S496 VanDerWaalsContact O-N 3.16Å; D494-S496 WeakPolarHBondContact OD1-CB 3.07Å; D494-S496 PolarHBondContact OD1-N 3Å; D494-S496 PolarHBondContact OD1-OG 3.06Å; D494-S496 PolarHBondContact OD2-OG 2.92Å; D494-S496 VanDerWaalsContact OD2-OG 3.13Å; D494-T497 WeakPolarHBondContact CB-OG1 3.26Å; D494-T497 VanDerWaalsContact CG-OG1 3.25Å; D494-T497 PolarHBondContact O-N 2.93Å; D494-T497 VanDerWaalsContact OD2-CG2 3.32Å; D494-T497 WeakPolarHBondContact OD2-CG2 3.45Å; D494-T497 PolarHBondContact OD2-OG1 3.39Å; D494-G498 WeakPolarHBondContact O-CA 3.49Å; D494-G498 PolarHBondContact O-N 3.32Å; D494-K499 PolarHBondContact N-O 2.78Å
495K92.3Very high84Confident101 Ų10147.8 Ų47.844%0.43927%0.268SS..THydrogen-bonded Turntrans-62.3-23-177.3-70.8-163.2172.3-172.10113.8Q475 E477 V493Q475-K495 HydrophobicContact CB-CB 4.13Å; Q475-K495 HydrophobicContact CB-CG 4.43Å; Q475-K495 PolarHBondContact O-N 2.73Å; E477-K495 HydrophobicContact CB-CG 4.26Å; E477-K495 WeakPolarHBondContact OE1-CE 3.42Å; E477-K495 IonicContact OE1-NZ 3.39Å; E477-K495 PolarHBondContact OE1-NZ 3.34Å; V493-K495 PolarHBondContact O-N 3.44Å
496S86.3Confident83.1Confident86 Ų8648.7 Ų48.760%0.60128%0.275SS*.THydrogen-bonded Turntrans-80.1-36.2-17869.80000112.6D494D494-S496 VanDerWaalsContact CG-OG 3.26Å; D494-S496 PolarHBondContact O-N 3.19Å; D494-S496 VanDerWaalsContact O-N 3.16Å; D494-S496 WeakPolarHBondContact OD1-CB 3.07Å; D494-S496 PolarHBondContact OD1-N 3Å; D494-S496 PolarHBondContact OD1-OG 3.06Å; D494-S496 PolarHBondContact OD2-OG 2.92Å; D494-S496 VanDerWaalsContact OD2-OG 3.13Å
497T87.6Confident81.8Confident59 Ų5948.4 Ų48.436%0.36227%0.267SS..THydrogen-bonded Turntrans-105.4-15.7-176.460.30000113.4P467 D494 K499P467-T497 HydrophobicContact CG-CG2 3.54Å; D494-T497 WeakPolarHBondContact CB-OG1 3.26Å; D494-T497 VanDerWaalsContact CG-OG1 3.25Å; D494-T497 PolarHBondContact O-N 2.93Å; D494-T497 VanDerWaalsContact OD2-CG2 3.32Å; D494-T497 WeakPolarHBondContact OD2-CG2 3.45Å; D494-T497 PolarHBondContact OD2-OG1 3.39Å; T497-K499 PolarHBondContact O-N 2.85Å; T497-K499 WeakPolarHBondContact OG1-CB 3.46Å; T497-K499 PolarHBondContact OG1-N 2.92Å
498G87Confident80.3Confident55 Ų5553.1 Ų53.157%0.56729%0.293SS*.  trans695.9-171.100000113.4D494 E500D494-G498 WeakPolarHBondContact O-CA 3.49Å; D494-G498 PolarHBondContact O-N 3.32Å; G498-E500 PolarHBondContact O-N 3.39Å
499K87.1Confident78.5Confident103 Ų10360.5 Ų60.545%0.44833%0.325SS..  trans-67124175.4-75.2-177.7-179173.20109.2G465 V493 D494 T497G465-K499 PolarHBondContact O-NZ 3.45Å; V493-K499 WeakPolarHBondContact CA-O 3.42Å; D494-K499 PolarHBondContact N-O 2.78Å; T497-K499 PolarHBondContact O-N 2.85Å; T497-K499 WeakPolarHBondContact OG1-CB 3.46Å; T497-K499 PolarHBondContact OG1-N 2.92Å
500E88.9Confident76.9Confident108 Ų10859.6 Ų59.651%0.50533%0.327SS..EExtended strand (participates in β ladder)trans-108.8139.9174.3-179.7176.4-159.200109.2S491 A492 V493 G498S491-E500 WeakPolarHBondContact CB-OE1 3.34Å; A492-E500 WeakPolarHBondContact O-CA 3.49Å; V493-E500 HydrophobicContact CG2-CB 3.95Å; V493-E500 HydrophobicContact CG2-CG 3.8Å; G498-E500 PolarHBondContact O-N 3.39Å
501N84.4Confident75.8Confident66 Ų6662.1 Ų62.135%0.35334%0.337SS..EExtended strand (participates in β ladder)trans-127.8142.6154.8-161.6-1.2000108F461 E462 L463 A492F461-N501 HydrophobicContact CD2-CB 4.21Å; F461-N501 HydrophobicContact CE2-CB 4.47Å; F461-N501 WeakPolarHBondContact CE2-O 3.27Å; E462-N501 PolarHBondContact O-ND2 2.82Å; L463-N501 HydrophobicContact CD1-CB 3.86Å; A492-N501 PolarHBondContact N-O 3.15Å; A492-N501 PolarHBondContact O-N 3.35Å; A492-N501 VanDerWaalsContact O-O 3.05Å
502K83.1Confident74.6Confident141 Ų14161.3 Ų61.361%0.61333%0.331SS*.EExtended strand (participates in β ladder)trans-137.8148179.667-176.1178-172.80110.1V490V490-K502 CarbonylContact O-C 3.49Å; V490-K502 WeakPolarHBondContact O-CA 3.13Å
503I74Confident73.9Confident29 Ų2963.5 Ų63.515%0.14935%0.346CS..EExtended strand (participates in β ladder)trans-119.7118.8167.7-166.8162.2000105.5F461 V490 I505F461-I503 HydrophobicContact CB-CB 4.3Å; F461-I503 HydrophobicContact CB-CD1 4.32Å; F461-I503 HydrophobicContact CD1-CB 3.78Å; F461-I503 HydrophobicContact CD1-CD1 4.44Å; F461-I503 HydrophobicContact CD1-CG2 3.21Å; F461-I503 HydrophobicContact CE1-CB 4.26Å; F461-I503 HydrophobicContact CE1-CG2 3.33Å; F461-I503 HydrophobicContact CG-CB 4.07Å; F461-I503 HydrophobicContact CG-CG2 4Å; F461-I503 HydrophobicContact CZ-CG2 4.2Å; V490-I503 CarbonylContact C-O 3.52Å; V490-I503 HydrophobicContact CB-CG2 3.95Å; V490-I503 PolarHBondContact N-O 2.81Å; V490-I503 CarbonylContact O-C 3.43Å; V490-I503 PolarHBondContact O-N 3.46Å; I503-I505 HydrophobicContact CD1-CD1 4.4Å; I503-I505 HydrophobicContact CG1-CD1 4.29Å; I503-I505 HydrophobicContact CG2-CD1 3.53Å; I503-I505 HydrophobicContact CG2-CG1 4.29Å; I503-I505 PolarHBondContact O-N 3.33Å
504T69.1Low73.1Confident61 Ų6170.2 Ų70.237%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-65.6125.7149.6-66.30000103.8N489 T506N489-T504 WeakPolarHBondContact OD1-CB 3Å; N489-T504 VanDerWaalsContact OD1-CG2 3.23Å; N489-T504 WeakPolarHBondContact OD1-CG2 3.48Å; N489-T504 PolarHBondContact OD1-OG1 3.34Å; T504-T506 HydrophobicContact CG2-CG2 3.7Å; T504-T506 PolarHBondContact O-N 3.42Å
505I65Low72.6Confident2 Ų276.5 Ų76.51%0.0140%0.402CS..  trans-70.775.6173-58.1-69.2000106.1V444 L458 L488 V490 I503V444-I505 HydrophobicContact CB-CD1 3.97Å; V444-I505 HydrophobicContact CG1-CD1 4.09Å; V444-I505 HydrophobicContact CG1-CG1 4.4Å; V444-I505 HydrophobicContact CG2-CD1 4.02Å; L458-I505 HydrophobicContact CB-CG2 3.83Å; L458-I505 HydrophobicContact CD1-CG2 4.46Å; L488-I505 HydrophobicContact CB-CB 4.33Å; L488-I505 HydrophobicContact CB-CG1 4.38Å; L488-I505 HydrophobicContact CD2-CG1 3.95Å; L488-I505 HydrophobicContact CG-CB 4.47Å; L488-I505 HydrophobicContact CG-CG1 3.97Å; L488-I505 VanDerWaalsContact O-CB 3.28Å; L488-I505 WeakPolarHBondContact O-CB 3.49Å; L488-I505 PolarHBondContact O-N 2.88Å; V490-I505 HydrophobicContact CG2-CD1 4.25Å; V490-I505 HydrophobicContact CG2-CG1 3.86Å; I503-I505 HydrophobicContact CD1-CD1 4.4Å; I503-I505 HydrophobicContact CG1-CD1 4.29Å; I503-I505 HydrophobicContact CG2-CD1 3.53Å; I503-I505 HydrophobicContact CG2-CG1 4.29Å; I503-I505 PolarHBondContact O-N 3.33Å
506T55.5Low72.2Confident50 Ų5074 Ų7431%0.30739%0.392SS..  trans-86.7110.2151.954.90000102.5T504 D508T504-T506 HydrophobicContact CG2-CG2 3.7Å; T504-T506 PolarHBondContact O-N 3.42Å; T506-D508 PolarHBondContact O-N 3.44Å; T506-D508 PolarHBondContact OG1-OD1 3.46Å
507N48Very low71.8Confident18 Ų1870.9 Ų70.910%0.09637%0.368CS..  trans-66.981.4-178.9-164.4-4.6000109.8L458 K509 R511L458-N507 PolarHBondContact O-OD1 2.9Å; N507-K509 PolarHBondContact O-N 3.21Å; N507-K509 VanDerWaalsContact O-N 3.15Å; N507-K509 PolarHBondContact OD1-O 3.48Å; N507-R511 WeakPolarHBondContact O-CB 3.42Å; N507-R511 PolarHBondContact O-N 3.19Å
508D45.8Very low71.5Confident126 Ų12673.7 Ų73.767%0.67438%0.377SS*.THydrogen-bonded Turntrans-64.7-22.5-172.3-66.5-15.3000111.8T506 G510T506-D508 PolarHBondContact O-N 3.44Å; T506-D508 PolarHBondContact OG1-OD1 3.46Å; D508-G510 PolarHBondContact O-N 3.05Å
509K47.4Very low71.6Confident158 Ų15876.6 Ų76.669%0.68737%0.371SS*.THydrogen-bonded Turntrans-91.887.4176.3-72.8-170.7176.3-171.80110.7N507N507-K509 PolarHBondContact O-N 3.21Å; N507-K509 VanDerWaalsContact O-N 3.15Å; N507-K509 PolarHBondContact OD1-O 3.48Å
510G52.3Low71.5Confident32 Ų3271.8 Ų71.833%0.3335%0.35SS..THydrogen-bonded Turntrans114.62.7175.200000114.4R102 D508R102-G510 WeakPolarHBondContact CD-O 3.35Å; R102-G510 PolarHBondContact NE-O 2.98Å; D508-G510 PolarHBondContact O-N 3.05Å
511R67.3Low71Confident55 Ų5568.3 Ų68.321%0.20834%0.336CS..SBendtrans-94.4162.3168-170.8179.8169.8-175.6-6.7110.8R102 Q158 D162 N507R102-R511 PolarHBondContact NH1-O 3.07Å; Q158-R511 VanDerWaalsContact CG-NE 3.26Å; Q158-R511 VanDerWaalsContact CG-NH1 3.29Å; D162-R511 IonicContact OD1-CZ 2.92Å; D162-R511 IonicContact OD1-NE 2.84Å; D162-R511 IonicContact OD1-NH2 3.83Å; D162-R511 PolarHBondContact OD1-NH2 3.36Å; D162-R511 IonicContact OD2-CZ 3.7Å; D162-R511 IonicContact OD2-NE 3.79Å; D162-R511 PolarHBondContact OD2-NE 3.43Å; D162-R511 IonicContact OD2-NH2 2.84Å; D162-R511 PolarHBondContact OD2-NH2 3.3Å; N507-R511 WeakPolarHBondContact O-CB 3.42Å; N507-R511 PolarHBondContact O-N 3.19Å
512L67.4Low71Confident6 Ų670.3 Ų70.33%0.03134%0.344CS..PPolyproline II helixtrans-68.4128.9166.8-61.5168.5000110.6F117 E119 I166 E516 I517 M520F117-L512 HydrophobicContact CD2-CD2 4Å; F117-L512 HydrophobicContact CE2-CD2 3.9Å; F117-L512 HydrophobicContact CG-CD2 4.38Å; F117-L512 HydrophobicContact CZ-CD2 4.31Å; E119-L512 HydrophobicContact CB-CD1 4.11Å; E119-L512 HydrophobicContact CG-CD1 4.18Å; I166-L512 HydrophobicContact CD1-CD1 4.19Å; L512-E516 VanDerWaalsContact CA-OE2 3.31Å; L512-E516 WeakPolarHBondContact CA-OE2 3.41Å; L512-E516 HydrophobicContact CB-CB 4.25Å; L512-E516 HydrophobicContact CD2-CB 4.16Å; L512-I517 HydrophobicContact CB-CD1 4.23Å; L512-I517 HydrophobicContact CB-CG1 3.63Å; L512-I517 HydrophobicContact CD1-CG1 4.31Å; L512-M520 HydrophobicContact CD1-CE 4.02Å; L512-M520 HydrophobicContact CD1-SD 3.48Å; L512-M520 WeakPolarHBondContact CD1-SD 3.47Å; L512-M520 HydrophobicContact CD2-CE 3.31Å; L512-M520 HydrophobicContact CD2-SD 3.91Å; L512-M520 HydrophobicContact CG-CE 4.29Å; L512-M520 HydrophobicContact CG-SD 4.29Å
513S77.5Confident71.1Confident45 Ų4566.2 Ų66.232%0.31533%0.328SS..PPolyproline II helixtrans-65.2162.8169.4940000110.4E515 E516 I517S513-E515 VanDerWaalsContact CB-OE2 3.26Å; S513-E515 WeakPolarHBondContact CB-OE2 3.37Å; S513-E515 PolarHBondContact O-N 2.83Å; S513-E515 PolarHBondContact OG-N 2.77Å; S513-E515 PolarHBondContact OG-OE2 3Å; S513-E516 PolarHBondContact N-OE2 3.01Å; S513-E516 PolarHBondContact O-N 3.18Å; S513-E516 VanDerWaalsContact O-N 3.11Å; S513-E516 PolarHBondContact OG-N 3.16Å; S513-E516 VanDerWaalsContact OG-N 3.12Å; S513-I517 WeakPolarHBondContact O-CG1 3.5Å; S513-I517 PolarHBondContact O-N 2.73Å
514K76.7Confident71.2Confident173 Ų17365.7 Ų65.775%0.75233%0.329SS*.Hα-helixtrans-58.5-38.8175.8-72.3-175.8-180178.80111.5I517 E518K514-I517 PolarHBondContact O-N 2.91Å; K514-E518 WeakPolarHBondContact O-CB 3.07Å; K514-E518 PolarHBondContact O-N 3.3Å
515E81.6Confident71.8Confident132 Ų13268.9 Ų68.962%0.61734%0.339SS*.Hα-helixtrans-66.7-37.8177.3-55.172.5-156.200111.3S513 R519S513-E515 VanDerWaalsContact CB-OE2 3.26Å; S513-E515 WeakPolarHBondContact CB-OE2 3.37Å; S513-E515 PolarHBondContact O-N 2.83Å; S513-E515 PolarHBondContact OG-N 2.77Å; S513-E515 PolarHBondContact OG-OE2 3Å; E515-R519 WeakPolarHBondContact O-CB 3.46Å; E515-R519 PolarHBondContact O-N 2.93Å
516E83.4Confident72.8Confident48 Ų4874.4 Ų74.422%0.22436%0.363CS..Hα-helixtrans-67.5-42.4173.6-67.3-177.8122.900112.1L512 S513 R519 M520L512-E516 VanDerWaalsContact CA-OE2 3.31Å; L512-E516 WeakPolarHBondContact CA-OE2 3.41Å; L512-E516 HydrophobicContact CB-CB 4.25Å; L512-E516 HydrophobicContact CD2-CB 4.16Å; S513-E516 PolarHBondContact N-OE2 3.01Å; S513-E516 PolarHBondContact O-N 3.18Å; S513-E516 VanDerWaalsContact O-N 3.11Å; S513-E516 PolarHBondContact OG-N 3.16Å; S513-E516 VanDerWaalsContact OG-N 3.12Å; E516-R519 PolarHBondContact O-N 2.97Å; E516-R519 IonicContact OE1-NH2 2.7Å; E516-M520 WeakPolarHBondContact O-CB 3.31Å; E516-M520 VanDerWaalsContact O-CG 3.24Å; E516-M520 WeakPolarHBondContact O-CG 3.37Å; E516-M520 PolarHBondContact O-N 2.64Å
517I77.8Confident74Confident21 Ų2172.8 Ų72.811%0.10835%0.352CS..Hα-helixtrans-61.3-46.4174.6-66.7171.3000109.8D162 V165 I166 L512 S513 K514 R519 M520 V521D162-I517 HydrophobicContact CB-CD1 4.31Å; V165-I517 HydrophobicContact CG1-CG2 3.83Å; I166-I517 HydrophobicContact CG1-CG2 4.46Å; L512-I517 HydrophobicContact CB-CD1 4.23Å; L512-I517 HydrophobicContact CB-CG1 3.63Å; L512-I517 HydrophobicContact CD1-CG1 4.31Å; S513-I517 WeakPolarHBondContact O-CG1 3.5Å; S513-I517 PolarHBondContact O-N 2.73Å; K514-I517 PolarHBondContact O-N 2.91Å; I517-R519 PolarHBondContact O-N 3.13Å; I517-M520 CarbonylContact O-C 3.55Å; I517-M520 WeakPolarHBondContact O-CB 3.31Å; I517-M520 PolarHBondContact O-N 2.79Å; I517-M520 VanDerWaalsContact O-N 3.13Å; I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 VanDerWaalsContact O-CG2 3.29Å; I517-V521 WeakPolarHBondContact O-CG2 3.27Å; I517-V521 PolarHBondContact O-N 3.4Å
518E82.7Confident75.5Confident119 Ų11974.9 Ų74.956%0.55636%0.36SS*.Hα-helixtrans-62.2-42.6178.9-172.5172.8-174.700111.5K514 M520 V521 Q522K514-E518 WeakPolarHBondContact O-CB 3.07Å; K514-E518 PolarHBondContact O-N 3.3Å; E518-M520 VanDerWaalsContact C-N 3.33Å; E518-M520 PolarHBondContact O-N 2.93Å; E518-V521 PolarHBondContact O-N 2.81Å; E518-Q522 WeakPolarHBondContact O-CG 3.44Å; E518-Q522 PolarHBondContact O-N 3.32Å
519R88.1Confident77.2Confident115 Ų11571.2 Ų71.243%0.43435%0.347SS..Hα-helixtrans-59-43.7171.8-175.7-176.266.3-144.3-6.6111.6E515 E516 I517 Q522 D523E515-R519 WeakPolarHBondContact O-CB 3.46Å; E515-R519 PolarHBondContact O-N 2.93Å; E516-R519 PolarHBondContact O-N 2.97Å; E516-R519 IonicContact OE1-NH2 2.7Å; I517-R519 PolarHBondContact O-N 3.13Å; R519-Q522 WeakPolarHBondContact O-CB 3.43Å; R519-Q522 PolarHBondContact O-N 3.41Å; R519-D523 PolarHBondContact O-N 2.97Å
520M84.5Confident78.9Confident3 Ų365.6 Ų65.62%0.01532%0.323CS..Hα-helixtrans-67.7-35.2178.1-72.6173.6-176.400113.1F117 E120 I166 L512 E516 I517 E518 D523 A524F117-M520 HydrophobicContact CD2-CE 3.26Å; F117-M520 HydrophobicContact CE2-CE 3.68Å; F117-M520 HydrophobicContact CG-CE 4.24Å; E120-M520 HydrophobicContact CG-CB 4.5Å; E120-M520 HydrophobicContact CG-CE 4.07Å; E120-M520 HydrophobicContact CG-CG 3.95Å; E120-M520 HydrophobicContact CG-SD 3.62Å; I166-M520 HydrophobicContact CD1-CB 4.01Å; I166-M520 HydrophobicContact CD1-CG 4.5Å; I166-M520 HydrophobicContact CD1-SD 3.68Å; I166-M520 HydrophobicContact CG1-CB 3.94Å; I166-M520 HydrophobicContact CG2-CB 4.12Å; L512-M520 HydrophobicContact CD1-CE 4.02Å; L512-M520 HydrophobicContact CD1-SD 3.48Å; L512-M520 WeakPolarHBondContact CD1-SD 3.47Å; L512-M520 HydrophobicContact CD2-CE 3.31Å; L512-M520 HydrophobicContact CD2-SD 3.91Å; L512-M520 HydrophobicContact CG-CE 4.29Å; L512-M520 HydrophobicContact CG-SD 4.29Å; E516-M520 WeakPolarHBondContact O-CB 3.31Å; E516-M520 VanDerWaalsContact O-CG 3.24Å; E516-M520 WeakPolarHBondContact O-CG 3.37Å; E516-M520 PolarHBondContact O-N 2.64Å; I517-M520 CarbonylContact O-C 3.55Å; I517-M520 WeakPolarHBondContact O-CB 3.31Å; I517-M520 PolarHBondContact O-N 2.79Å; I517-M520 VanDerWaalsContact O-N 3.13Å; E518-M520 VanDerWaalsContact C-N 3.33Å; E518-M520 PolarHBondContact O-N 2.93Å; M520-D523 PolarHBondContact O-N 2.86Å; M520-A524 VanDerWaalsContact O-CB 3.23Å; M520-A524 WeakPolarHBondContact O-CB 3.41Å; M520-A524 PolarHBondContact O-N 2.73Å
521V79.9Confident80.1Confident35 Ų3565.5 Ų65.521%0.21232%0.315CS..Hα-helixtrans-61.9-46.6171.7169.90000109.4V165 I517 E518 D523 A524 E525V165-V521 HydrophobicContact CG1-CG2 4.43Å; I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 VanDerWaalsContact O-CG2 3.29Å; I517-V521 WeakPolarHBondContact O-CG2 3.27Å; I517-V521 PolarHBondContact O-N 3.4Å; E518-V521 PolarHBondContact O-N 2.81Å; V521-D523 PolarHBondContact O-N 3.04Å; V521-A524 PolarHBondContact O-N 3.4Å; V521-E525 WeakPolarHBondContact O-CG 3.26Å; V521-E525 PolarHBondContact O-N 3.39Å
522Q84.6Confident80.8Confident108 Ų10866.9 Ų66.951%0.50532%0.324SS..Hα-helixtrans-61.9-42.5176.3-68.7171.210.900112.1E518 R519 E525 K526E518-Q522 WeakPolarHBondContact O-CG 3.44Å; E518-Q522 PolarHBondContact O-N 3.32Å; R519-Q522 WeakPolarHBondContact O-CB 3.43Å; R519-Q522 PolarHBondContact O-N 3.41Å; Q522-E525 PolarHBondContact O-N 2.82Å; Q522-K526 WeakPolarHBondContact O-CB 3.28Å; Q522-K526 PolarHBondContact O-N 2.94Å
523D84Confident81.6Confident54 Ų5472.2 Ų72.229%0.28935%0.352SS..Hα-helixtrans-64.5-41.2175.5-74.2-28.2000111.3R519 M520 V521 K526 Y527R519-D523 PolarHBondContact O-N 2.97Å; M520-D523 PolarHBondContact O-N 2.86Å; V521-D523 PolarHBondContact O-N 3.04Å; D523-K526 WeakPolarHBondContact O-CB 3.42Å; D523-K526 PolarHBondContact O-N 2.59Å; D523-Y527 HydrophobicContact CB-CE2 4.17Å; D523-Y527 WeakPolarHBondContact O-CD2 3.41Å; D523-Y527 VanDerWaalsContact O-CG 3.32Å; D523-Y527 PolarHBondContact O-N 3.09Å
524A77.1Confident81.7Confident19 Ų1972 Ų7216%0.15735%0.345CS..Hα-helixtrans-63.8-40.3175.500000112I166 M520 V521 Y527 K528I166-A524 HydrophobicContact CG2-CB 4.01Å; M520-A524 VanDerWaalsContact O-CB 3.23Å; M520-A524 WeakPolarHBondContact O-CB 3.41Å; M520-A524 PolarHBondContact O-N 2.73Å; V521-A524 PolarHBondContact O-N 3.4Å; A524-Y527 PolarHBondContact O-N 2.67Å; A524-K528 WeakPolarHBondContact O-CB 3.26Å; A524-K528 PolarHBondContact O-N 3.15Å
525E81.3Confident81.9Confident127 Ų12769.6 Ų69.659%0.59333%0.332SS*.Hα-helixtrans-64.1-42.5173.2-75-177.616700112V521 Q522 K528 A529V521-E525 WeakPolarHBondContact O-CG 3.26Å; V521-E525 PolarHBondContact O-N 3.39Å; Q522-E525 PolarHBondContact O-N 2.82Å; E525-K528 WeakPolarHBondContact O-CB 3.39Å; E525-K528 PolarHBondContact O-N 3.36Å; E525-A529 PolarHBondContact O-N 3.11Å
526K85.6Confident82Confident118 Ų11866.7 Ų66.751%0.51332%0.32SS..Hα-helixtrans-59.1-50.1174177.2-176.3173.2-178.40111Q522 D523 K528 A529 E530Q522-K526 WeakPolarHBondContact O-CB 3.28Å; Q522-K526 PolarHBondContact O-N 2.94Å; D523-K526 WeakPolarHBondContact O-CB 3.42Å; D523-K526 PolarHBondContact O-N 2.59Å; K526-K528 VanDerWaalsContact C-N 3.3Å; K526-K528 PolarHBondContact O-N 2.87Å; K526-A529 WeakPolarHBondContact O-CB 3.05Å; K526-A529 PolarHBondContact O-N 3.34Å; K526-E530 WeakPolarHBondContact CE-OE1 3.29Å; K526-E530 PolarHBondContact O-N 3.12Å
527Y81.4Confident82.1Confident17 Ų1765.6 Ų65.67%0.06732%0.315CS..Hα-helixtrans-65.9-34.9179.9-62.8-50.1000112.5Y109 K114 F116 D523 A524 A529 E530 D531Y109-Y527 HydrophobicContact CD1-CE1 4.45Å; Y109-Y527 HydrophobicContact CE1-CD1 4.14Å; Y109-Y527 AromaticContact CE1-CE1 3.87Å; Y109-Y527 HydrophobicContact CE1-CE1 3.87Å; K114-Y527 PolarHBondContact NZ-OH 2.94Å; F116-Y527 HydrophobicContact CE1-CE2 4.02Å; F116-Y527 HydrophobicContact CZ-CE2 4.49Å; D523-Y527 HydrophobicContact CB-CE2 4.17Å; D523-Y527 WeakPolarHBondContact O-CD2 3.41Å; D523-Y527 VanDerWaalsContact O-CG 3.32Å; D523-Y527 PolarHBondContact O-N 3.09Å; A524-Y527 PolarHBondContact O-N 2.67Å; Y527-A529 VanDerWaalsContact C-N 3.33Å; Y527-A529 PolarHBondContact O-N 3.5Å; Y527-E530 WeakPolarHBondContact O-CB 3.49Å; Y527-E530 PolarHBondContact O-N 3.44Å; Y527-D531 PolarHBondContact O-N 2.85Å
528K79.6Confident82.3Confident62 Ų6267.8 Ų67.827%0.2733%0.326SS..Hα-helixtrans-60-43.7172.4179.2179176.3172.90111.7A524 E525 K526 E530 D531 E532A524-K528 WeakPolarHBondContact O-CB 3.26Å; A524-K528 PolarHBondContact O-N 3.15Å; E525-K528 WeakPolarHBondContact O-CB 3.39Å; E525-K528 PolarHBondContact O-N 3.36Å; K526-K528 VanDerWaalsContact C-N 3.3Å; K526-K528 PolarHBondContact O-N 2.87Å; K528-E530 VanDerWaalsContact C-N 3.3Å; K528-E530 PolarHBondContact O-N 3.11Å; K528-D531 PolarHBondContact O-N 3.02Å; K528-E532 WeakPolarHBondContact CE-OE1 2.99Å; K528-E532 WeakPolarHBondContact O-CG 3.34Å; K528-E532 PolarHBondContact O-N 3.33Å
529A81.8Confident82.2Confident48 Ų4864.8 Ų64.840%0.39732%0.321SS..Hα-helixtrans-62.8-37.8175.800000111.9E525 K526 Y527 E532 L533E525-A529 PolarHBondContact O-N 3.11Å; K526-A529 WeakPolarHBondContact O-CB 3.05Å; K526-A529 PolarHBondContact O-N 3.34Å; Y527-A529 VanDerWaalsContact C-N 3.33Å; Y527-A529 PolarHBondContact O-N 3.5Å; A529-E532 PolarHBondContact O-N 3.18Å; A529-L533 VanDerWaalsContact O-CG 3.32Å; A529-L533 WeakPolarHBondContact O-CG 3.28Å; A529-L533 PolarHBondContact O-N 2.96Å
530E82.7Confident82.1Confident41 Ų4159.7 Ų59.719%0.19230%0.304CS..Hα-helixtrans-62.6-44.1172.5-66.4175.6-167.800111.9Y109 K110 K526 Y527 K528 E532 L533 Q534Y109-E530 PolarHBondContact OH-OE2 3.05Å; K110-E530 IonicContact NZ-OE2 2.73Å; K110-E530 PolarHBondContact NZ-OE2 2.81Å; K526-E530 WeakPolarHBondContact CE-OE1 3.29Å; K526-E530 PolarHBondContact O-N 3.12Å; Y527-E530 WeakPolarHBondContact O-CB 3.49Å; Y527-E530 PolarHBondContact O-N 3.44Å; K528-E530 VanDerWaalsContact C-N 3.3Å; K528-E530 PolarHBondContact O-N 3.11Å; E530-E532 VanDerWaalsContact C-N 3.35Å; E530-L533 PolarHBondContact O-N 2.91Å; E530-Q534 PolarHBondContact O-N 2.88Å
531D77.6Confident82.2Confident29 Ų2961.4 Ų61.416%0.15531%0.311CS..Hα-helixtrans-65.4-37.6177.8-61.3-22.3000111.5R51 Y527 K528 Q534 R535R51-D531 IonicContact CZ-OD2 3.97Å; R51-D531 IonicContact NE-OD1 2.79Å; R51-D531 IonicContact NE-OD2 3.55Å; R51-D531 IonicContact NH2-OD1 2.64Å; R51-D531 IonicContact NH2-OD2 3.99Å; R51-D531 PolarHBondContact NH2-OD2 2.86Å; Y527-D531 PolarHBondContact O-N 2.85Å; K528-D531 PolarHBondContact O-N 3.02Å; D531-Q534 PolarHBondContact O-N 3.14Å; D531-R535 WeakPolarHBondContact O-CB 3.47Å; D531-R535 PolarHBondContact O-N 3.43Å
532E81.1Confident82.5Confident85 Ų8563.4 Ų63.440%0.39732%0.321SS..Hα-helixtrans-64.7-43.2174.2-76.4177-179.300111.8K528 A529 E530 Q534 R535 D536K528-E532 WeakPolarHBondContact CE-OE1 2.99Å; K528-E532 WeakPolarHBondContact O-CG 3.34Å; K528-E532 PolarHBondContact O-N 3.33Å; A529-E532 PolarHBondContact O-N 3.18Å; E530-E532 VanDerWaalsContact C-N 3.35Å; E532-Q534 VanDerWaalsContact C-N 3.33Å; E532-Q534 PolarHBondContact O-N 2.73Å; E532-R535 WeakPolarHBondContact O-CB 3.49Å; E532-R535 PolarHBondContact O-N 3Å; E532-D536 WeakPolarHBondContact O-CB 3.5Å; E532-D536 PolarHBondContact O-N 2.96Å
533L83.9Confident82.5Confident118 Ų11860.7 Ų60.762%0.61831%0.314SS*.Hα-helixtrans-61.5-42.4174.5-73.3170.6000111.8A529 E530 D536 K537A529-L533 VanDerWaalsContact O-CG 3.32Å; A529-L533 WeakPolarHBondContact O-CG 3.28Å; A529-L533 PolarHBondContact O-N 2.96Å; E530-L533 PolarHBondContact O-N 2.91Å; L533-D536 PolarHBondContact O-N 2.94Å; L533-K537 WeakPolarHBondContact O-CB 3.48Å; L533-K537 PolarHBondContact O-N 3.38Å
534Q80.6Confident82.8Confident39 Ų3958.1 Ų58.118%0.18230%0.3CS..Hα-helixtrans-65.4-41.2176.7-177.965.12.400111.6E50 E530 D531 E532 K537 I538E50-Q534 HydrophobicContact CB-CG 4.17Å; E530-Q534 PolarHBondContact O-N 2.88Å; D531-Q534 PolarHBondContact O-N 3.14Å; E532-Q534 VanDerWaalsContact C-N 3.33Å; E532-Q534 PolarHBondContact O-N 2.73Å; Q534-K537 WeakPolarHBondContact O-CB 3.46Å; Q534-K537 PolarHBondContact O-N 2.62Å; Q534-I538 HydrophobicContact CG-CD1 4.13Å; Q534-I538 WeakPolarHBondContact O-CG1 3.29Å; Q534-I538 PolarHBondContact O-N 3.37Å
535R80.4Confident83.3Confident124 Ų12460.8 Ų60.847%0.46831%0.309SS..Hα-helixtrans-59.9-46.2174.5-174.6-174-60.7157.1-0.6111.4E131 D531 E532 K537 I538 A539E131-R535 IonicContact OE1-CZ 3.36Å; E131-R535 IonicContact OE1-NH2 2.73Å; E131-R535 PolarHBondContact OE1-NH2 3.1Å; E131-R535 IonicContact OE2-NH2 3.41Å; D531-R535 WeakPolarHBondContact O-CB 3.47Å; D531-R535 PolarHBondContact O-N 3.43Å; E532-R535 WeakPolarHBondContact O-CB 3.49Å; E532-R535 PolarHBondContact O-N 3Å; R535-K537 VanDerWaalsContact C-N 3.33Å; R535-K537 PolarHBondContact O-N 3.06Å; R535-I538 PolarHBondContact O-N 3.11Å; R535-A539 WeakPolarHBondContact O-CB 3.23Å; R535-A539 PolarHBondContact O-N 3.06Å
536D84.1Confident83.6Confident71 Ų7158 Ų5838%0.3830%0.304SS..Hα-helixtrans-61.2-40.1176-91.415.1000112.5E532 L533 A539 A540 K591E532-D536 WeakPolarHBondContact O-CB 3.5Å; E532-D536 PolarHBondContact O-N 2.96Å; L533-D536 PolarHBondContact O-N 2.94Å; D536-A539 PolarHBondContact O-N 2.97Å; D536-A540 WeakPolarHBondContact O-CB 3.4Å; D536-A540 PolarHBondContact O-N 3.29Å; D536-K591 HydrophobicContact CB-CD 4.14Å; D536-K591 IonicContact OD2-NZ 2.98Å; D536-K591 PolarHBondContact OD2-NZ 2.85Å
537K86.1Confident83.8Confident25 Ų2554.8 Ų54.811%0.10929%0.289CS..Hα-helixtrans-62.3-48.2175.5-178.4-179.1-172.11660111.2L533 Q534 R535 A540 K541 L588 A589 E590 K591 Y594L533-K537 WeakPolarHBondContact O-CB 3.48Å; L533-K537 PolarHBondContact O-N 3.38Å; Q534-K537 WeakPolarHBondContact O-CB 3.46Å; Q534-K537 PolarHBondContact O-N 2.62Å; R535-K537 VanDerWaalsContact C-N 3.33Å; R535-K537 PolarHBondContact O-N 3.06Å; K537-A540 PolarHBondContact O-N 3.19Å; K537-K541 PolarHBondContact O-N 2.93Å; K537-L588 PolarHBondContact NZ-O 3.29Å; K537-A589 WeakPolarHBondContact CE-O 3.35Å; K537-A589 PolarHBondContact NZ-O 2.99Å; K537-E590 IonicContact NZ-OE1 2.82Å; K537-E590 PolarHBondContact NZ-OE1 3.17Å; K537-E590 IonicContact NZ-OE2 3.59Å; K537-K591 HydrophobicContact CB-CB 4.5Å; K537-Y594 HydrophobicContact CG-CD2 4.34Å; K537-Y594 HydrophobicContact CG-CE2 3.99Å
538I81Confident84.3Confident67 Ų6754 Ų5434%0.34429%0.286SS..Hα-helixtrans-64-40.9176.6-67167.6000110.8Q534 R535 A540 K541 N542Q534-I538 HydrophobicContact CG-CD1 4.13Å; Q534-I538 WeakPolarHBondContact O-CG1 3.29Å; Q534-I538 PolarHBondContact O-N 3.37Å; R535-I538 PolarHBondContact O-N 3.11Å; I538-A540 PolarHBondContact O-N 3.35Å; I538-K541 WeakPolarHBondContact O-CB 3.41Å; I538-K541 PolarHBondContact O-N 3.49Å; I538-N542 WeakPolarHBondContact O-CB 3.17Å; I538-N542 VanDerWaalsContact O-CG 3.24Å; I538-N542 PolarHBondContact O-N 3.23Å; I538-N542 PolarHBondContact O-OD1 2.8Å
539A80.9Confident84.7Confident55 Ų5556 Ų5646%0.45530%0.295SS..Hα-helixtrans-61.7-42.4176.400000112.1R535 D536 N542 S543R535-A539 WeakPolarHBondContact O-CB 3.23Å; R535-A539 PolarHBondContact O-N 3.06Å; D536-A539 PolarHBondContact O-N 2.97Å; A539-N542 PolarHBondContact O-N 3.39Å; A539-S543 VanDerWaalsContact O-CB 3.28Å; A539-S543 WeakPolarHBondContact O-CB 3.47Å; A539-S543 PolarHBondContact O-N 2.95Å
540A85.3Confident85Confident8 Ų857.8 Ų57.87%0.06630%0.301CS..Hα-helixtrans-63.4-42.3175.100000112.1D536 K537 I538 S543 L544 K591 Q595D536-A540 WeakPolarHBondContact O-CB 3.4Å; D536-A540 PolarHBondContact O-N 3.29Å; K537-A540 PolarHBondContact O-N 3.19Å; I538-A540 PolarHBondContact O-N 3.35Å; A540-S543 WeakPolarHBondContact O-CB 3.11Å; A540-S543 PolarHBondContact O-N 2.9Å; A540-L544 PolarHBondContact O-N 2.94Å; A540-K591 HydrophobicContact CB-CG 4.1Å; A540-Q595 HydrophobicContact CB-CG 4.28Å
541K87.4Confident85.3Confident39 Ų3956.2 Ų56.217%0.1729%0.294CS..Hα-helixtrans-60.3-50.9174.5-176.6-170.8175.8-169.50111.9K537 I538 S543 L544 E545 L583 Y594K537-K541 PolarHBondContact O-N 2.93Å; I538-K541 WeakPolarHBondContact O-CB 3.41Å; I538-K541 PolarHBondContact O-N 3.49Å; K541-S543 VanDerWaalsContact C-N 3.29Å; K541-S543 PolarHBondContact O-N 3.47Å; K541-L544 WeakPolarHBondContact O-CB 3.42Å; K541-L544 PolarHBondContact O-N 3.11Å; K541-E545 WeakPolarHBondContact O-CB 3.48Å; K541-E545 PolarHBondContact O-N 3.42Å; K541-L583 HydrophobicContact CG-CD2 3.91Å; K541-Y594 HydrophobicContact CB-CD1 4.11Å; K541-Y594 HydrophobicContact CB-CD2 3.98Å; K541-Y594 HydrophobicContact CB-CE1 4.02Å; K541-Y594 HydrophobicContact CB-CE2 3.84Å; K541-Y594 HydrophobicContact CB-CG 4.13Å; K541-Y594 HydrophobicContact CD-CE1 4.33Å; K541-Y594 HydrophobicContact CG-CD1 4.21Å; K541-Y594 HydrophobicContact CG-CE1 3.77Å; K541-Y594 HydrophobicContact CG-CE2 4.31Å
542N85.3Confident85.8Confident77 Ų7756.9 Ų56.941%0.41230%0.295SS..Hα-helixtrans-63.9-36.2-179.7-68.9-5.8000111.6I538 A539 S546I538-N542 WeakPolarHBondContact O-CB 3.17Å; I538-N542 VanDerWaalsContact O-CG 3.24Å; I538-N542 PolarHBondContact O-N 3.23Å; I538-N542 PolarHBondContact O-OD1 2.8Å; A539-N542 PolarHBondContact O-N 3.39Å; N542-S546 WeakPolarHBondContact O-CB 3.24Å; N542-S546 PolarHBondContact O-N 2.91Å; N542-S546 PolarHBondContact O-OG 2.91Å
543S85.9Confident86.1Confident51 Ų5156.5 Ų56.536%0.35730%0.302SS..Hα-helixtrans-60.5-49.4172.8174.50000111.2A539 A540 K541 S546 Y547 Q598A539-S543 VanDerWaalsContact O-CB 3.28Å; A539-S543 WeakPolarHBondContact O-CB 3.47Å; A539-S543 PolarHBondContact O-N 2.95Å; A540-S543 WeakPolarHBondContact O-CB 3.11Å; A540-S543 PolarHBondContact O-N 2.9Å; K541-S543 VanDerWaalsContact C-N 3.29Å; K541-S543 PolarHBondContact O-N 3.47Å; S543-S546 PolarHBondContact O-N 2.84Å; S543-Y547 VanDerWaalsContact O-CB 3.26Å; S543-Y547 WeakPolarHBondContact O-CB 3.48Å; S543-Y547 PolarHBondContact O-N 3.25Å; S543-Q598 PolarHBondContact OG-OE1 2.7Å
544L90.6Very high86.2Confident0 Ų053.2 Ų53.20%029%0.289CS..Hα-helixtrans-60.3-48.4177175.855.3000112A540 K541 Y547 A548 T579 W582 L583 Y594 Q597 Q598 L601A540-L544 PolarHBondContact O-N 2.94Å; K541-L544 WeakPolarHBondContact O-CB 3.42Å; K541-L544 PolarHBondContact O-N 3.11Å; L544-Y547 PolarHBondContact O-N 3.48Å; L544-A548 WeakPolarHBondContact O-CB 3.49Å; L544-A548 PolarHBondContact O-N 2.87Å; L544-T579 HydrophobicContact CD1-CG2 3.54Å; L544-T579 HydrophobicContact CD2-CG2 4.11Å; L544-T579 HydrophobicContact CG-CG2 3.88Å; L544-W582 HydrophobicContact CD2-CZ3 4.46Å; L544-L583 HydrophobicContact CD2-CD1 4.42Å; L544-L583 HydrophobicContact CD2-CD2 3.84Å; L544-L583 HydrophobicContact CD2-CG 4.16Å; L544-L583 HydrophobicContact CG-CD1 4.13Å; L544-L583 HydrophobicContact CG-CD2 4.31Å; L544-L583 HydrophobicContact CG-CG 4.41Å; L544-Y594 HydrophobicContact CD2-CD1 4.23Å; L544-Q597 HydrophobicContact CD1-CB 4.5Å; L544-Q597 HydrophobicContact CD2-CB 3.6Å; L544-Q598 HydrophobicContact CB-CB 4.49Å; L544-Q598 VanDerWaalsContact CD1-CA 3.48Å; L544-Q598 HydrophobicContact CD1-CB 3.81Å; L544-Q598 HydrophobicContact CD1-CG 4.26Å; L544-L601 HydrophobicContact CD1-CD2 4.32Å
545E87.5Confident86.5Confident75 Ų7551.6 Ų51.635%0.3528%0.282SS..Hα-helixtrans-60.4-50.1179-175.4172.4-159.500111.3K541 Y547 A548 F549 L583K541-E545 WeakPolarHBondContact O-CB 3.48Å; K541-E545 PolarHBondContact O-N 3.42Å; E545-Y547 VanDerWaalsContact C-N 3.3Å; E545-Y547 PolarHBondContact O-N 3.45Å; E545-A548 PolarHBondContact O-N 3.37Å; E545-F549 HydrophobicContact CG-CD2 3.76Å; E545-F549 HydrophobicContact CG-CE2 3.67Å; E545-F549 VanDerWaalsContact O-CD2 3.29Å; E545-F549 WeakPolarHBondContact O-CD2 3.46Å; E545-F549 PolarHBondContact O-N 3.01Å; E545-L583 HydrophobicContact CB-CD1 3.8Å; E545-L583 HydrophobicContact CG-CD1 4.28Å
546S87.8Confident86.7Confident70 Ų7050 Ų5049%0.4928%0.28SS..Hα-helixtrans-60.4-41.1178.4-59.90000111.7N542 S543 T550N542-S546 WeakPolarHBondContact O-CB 3.24Å; N542-S546 PolarHBondContact O-N 2.91Å; N542-S546 PolarHBondContact O-OG 2.91Å; S543-S546 PolarHBondContact O-N 2.84Å; S546-T550 VanDerWaalsContact O-CB 3.24Å; S546-T550 WeakPolarHBondContact O-CB 3.5Å; S546-T550 PolarHBondContact O-N 3.12Å; S546-T550 PolarHBondContact O-OG1 3.36Å
547Y89Confident86.7Confident49 Ų4950.4 Ų50.419%0.19228%0.282CS..Hα-helixtrans-64.6-46.3176.9-174.8-111.2000111.3S543 L544 E545 F549 T550 M551 L601 E602 N606S543-Y547 VanDerWaalsContact O-CB 3.26Å; S543-Y547 WeakPolarHBondContact O-CB 3.48Å; S543-Y547 PolarHBondContact O-N 3.25Å; L544-Y547 PolarHBondContact O-N 3.48Å; E545-Y547 VanDerWaalsContact C-N 3.3Å; E545-Y547 PolarHBondContact O-N 3.45Å; Y547-F549 PolarHBondContact O-N 3.27Å; Y547-T550 PolarHBondContact O-N 3.47Å; Y547-M551 HydrophobicContact CD1-CG 4.21Å; Y547-M551 HydrophobicContact CD2-CG 4.17Å; Y547-M551 HydrophobicContact CE1-CG 3.86Å; Y547-M551 HydrophobicContact CE2-CG 3.81Å; Y547-M551 HydrophobicContact CE2-SD 4.05Å; Y547-M551 HydrophobicContact CG-CG 4.34Å; Y547-M551 WeakPolarHBondContact O-CB 3.35Å; Y547-M551 VanDerWaalsContact O-CG 3.22Å; Y547-M551 WeakPolarHBondContact O-CG 3.4Å; Y547-M551 PolarHBondContact O-N 2.89Å; Y547-L601 HydrophobicContact CD1-CD2 3.6Å; Y547-L601 HydrophobicContact CD1-CG 3.98Å; Y547-L601 HydrophobicContact CE1-CB 4.42Å; Y547-L601 HydrophobicContact CE1-CD2 4Å; Y547-L601 HydrophobicContact CE1-CG 3.84Å; Y547-E602 HydrophobicContact CD1-CG 4.34Å; Y547-E602 HydrophobicContact CE1-CB 4.44Å; Y547-E602 HydrophobicContact CE1-CG 3.56Å; Y547-N606 PolarHBondContact OH-OD1 2.89Å
548A90.9Very high86.2Confident0 Ų055.6 Ų55.60%031%0.306CS..Hα-helixtrans-59.2-46.4177.100000112.5L544 E545 K552 T579 I580 L601L544-A548 WeakPolarHBondContact O-CB 3.49Å; L544-A548 PolarHBondContact O-N 2.87Å; E545-A548 PolarHBondContact O-N 3.37Å; A548-K552 WeakPolarHBondContact O-CB 3.32Å; A548-K552 PolarHBondContact O-N 3.13Å; A548-T579 HydrophobicContact CB-CG2 4.34Å; A548-I580 HydrophobicContact CB-CD1 4.46Å; A548-I580 HydrophobicContact CB-CG1 4.09Å; A548-L601 HydrophobicContact CB-CD2 3.75Å
549F88.3Confident86Confident105 Ų10556 Ų5646%0.46132%0.315SS..Hα-helixtrans-66.1-44.2176.9-82.7-69.4000112.8E545 Y547 M551 K552 S553 I580E545-F549 HydrophobicContact CG-CD2 3.76Å; E545-F549 HydrophobicContact CG-CE2 3.67Å; E545-F549 VanDerWaalsContact O-CD2 3.29Å; E545-F549 WeakPolarHBondContact O-CD2 3.46Å; E545-F549 PolarHBondContact O-N 3.01Å; Y547-F549 PolarHBondContact O-N 3.27Å; F549-M551 VanDerWaalsContact C-N 3.31Å; F549-M551 PolarHBondContact O-N 3.12Å; F549-K552 PolarHBondContact O-N 3.39Å; F549-S553 WeakPolarHBondContact O-CB 3.36Å; F549-S553 PolarHBondContact O-N 2.91Å; F549-I580 HydrophobicContact CD1-CD1 4.39Å; F549-I580 HydrophobicContact CE1-CD1 4.11Å; F549-I580 HydrophobicContact CE2-CD1 4.45Å; F549-I580 HydrophobicContact CZ-CD1 4.14Å
550T88.5Confident85.6Confident86 Ų8655.1 Ų55.153%0.52830%0.302SS..Hα-helixtrans-61.3-44.1178.4-59.40000110.6S546 Y547 S554S546-T550 VanDerWaalsContact O-CB 3.24Å; S546-T550 WeakPolarHBondContact O-CB 3.5Å; S546-T550 PolarHBondContact O-N 3.12Å; S546-T550 PolarHBondContact O-OG1 3.36Å; Y547-T550 PolarHBondContact O-N 3.47Å; T550-S554 VanDerWaalsContact O-CB 3.25Å; T550-S554 WeakPolarHBondContact O-CB 3.37Å; T550-S554 PolarHBondContact O-N 2.85Å; T550-S554 PolarHBondContact O-OG 2.81Å
551M88.7Confident84.7Confident8 Ų861.1 Ų61.14%0.03933%0.327CS..Hα-helixtrans-62.2-49.2177.6-80.6-54.6-38.700112.2Y547 F549 S554 V555 V572 C605 I609Y547-M551 HydrophobicContact CD1-CG 4.21Å; Y547-M551 HydrophobicContact CD2-CG 4.17Å; Y547-M551 HydrophobicContact CE1-CG 3.86Å; Y547-M551 HydrophobicContact CE2-CG 3.81Å; Y547-M551 HydrophobicContact CE2-SD 4.05Å; Y547-M551 HydrophobicContact CG-CG 4.34Å; Y547-M551 WeakPolarHBondContact O-CB 3.35Å; Y547-M551 VanDerWaalsContact O-CG 3.22Å; Y547-M551 WeakPolarHBondContact O-CG 3.4Å; Y547-M551 PolarHBondContact O-N 2.89Å; F549-M551 VanDerWaalsContact C-N 3.31Å; F549-M551 PolarHBondContact O-N 3.12Å; M551-S554 PolarHBondContact O-N 3.26Å; M551-V555 HydrophobicContact CE-CG1 4.34Å; M551-V555 WeakPolarHBondContact O-CG2 3.38Å; M551-V555 PolarHBondContact O-N 2.91Å; M551-V555 VanDerWaalsContact O-N 3.13Å; M551-V572 HydrophobicContact CE-CG1 3.91Å; M551-C605 HydrophobicContact CE-CB 3.62Å; M551-C605 HydrophobicContact CG-CB 4.27Å; M551-C605 HydrophobicContact SD-CB 3.92Å; M551-I609 HydrophobicContact CE-CD1 3.23Å; M551-I609 HydrophobicContact CE-CG1 3.82Å; M551-I609 HydrophobicContact SD-CD1 3.24Å; M551-I609 WeakPolarHBondContact SD-CD1 3.09Å; M551-I609 HydrophobicContact SD-CG1 4.42Å
552K88.4Confident83.8Confident42 Ų4262.9 Ų62.918%0.18336%0.356CS..Hα-helixtrans-58.1-51.7177.1-175.1174.3-176169.60111.2A548 F549 S554 V555 E556 C576 E577A548-K552 WeakPolarHBondContact O-CB 3.32Å; A548-K552 PolarHBondContact O-N 3.13Å; F549-K552 PolarHBondContact O-N 3.39Å; K552-S554 VanDerWaalsContact C-N 3.31Å; K552-S554 PolarHBondContact O-N 2.95Å; K552-V555 VanDerWaalsContact O-CG2 3.31Å; K552-V555 WeakPolarHBondContact O-CG2 3.24Å; K552-V555 PolarHBondContact O-N 2.91Å; K552-E556 WeakPolarHBondContact CE-OE1 3.32Å; K552-E556 WeakPolarHBondContact O-CB 3.47Å; K552-E556 WeakPolarHBondContact O-CG 3.32Å; K552-E556 PolarHBondContact O-N 3.44Å; K552-E556 VanDerWaalsContact O-N 3.08Å; K552-C576 HydrophobicContact CB-CB 4.03Å; K552-E577 IonicContact NZ-OE1 3.7Å; K552-E577 PolarHBondContact NZ-OE1 2.81Å
553S87.9Confident83.5Confident77 Ų7766.2 Ų66.254%0.53837%0.367SS..Hα-helixtrans-60.8-39.9178.8-172.80000112.1F549 E556 D557F549-S553 WeakPolarHBondContact O-CB 3.36Å; F549-S553 PolarHBondContact O-N 2.91Å; S553-E556 PolarHBondContact O-N 3.43Å; S553-D557 PolarHBondContact O-N 3.1Å; S553-D557 VanDerWaalsContact O-N 3.08Å
554S86.4Confident83.4Confident50 Ų5064.7 Ų64.735%0.3535%0.354SS..Hα-helixtrans-63.2-45.5-179.4-62.90000111.5T550 M551 K552 E556 D557 L560T550-S554 VanDerWaalsContact O-CB 3.25Å; T550-S554 WeakPolarHBondContact O-CB 3.37Å; T550-S554 PolarHBondContact O-N 2.85Å; T550-S554 PolarHBondContact O-OG 2.81Å; M551-S554 PolarHBondContact O-N 3.26Å; K552-S554 VanDerWaalsContact C-N 3.31Å; K552-S554 PolarHBondContact O-N 2.95Å; S554-E556 VanDerWaalsContact C-N 3.3Å; S554-E556 PolarHBondContact O-N 3.28Å; S554-D557 WeakPolarHBondContact O-CB 3.48Å; S554-D557 PolarHBondContact O-N 2.58Å; S554-L560 WeakPolarHBondContact O-CD1 3.48Å
555V85.6Confident83.2Confident5 Ų567.1 Ų67.13%0.0337%0.372CS..Hα-helixtrans-77-17.6-179.9-59.60000113.6M551 K552 I564 K569 V572 V573M551-V555 HydrophobicContact CE-CG1 4.34Å; M551-V555 WeakPolarHBondContact O-CG2 3.38Å; M551-V555 PolarHBondContact O-N 2.91Å; M551-V555 VanDerWaalsContact O-N 3.13Å; K552-V555 VanDerWaalsContact O-CG2 3.31Å; K552-V555 WeakPolarHBondContact O-CG2 3.24Å; K552-V555 PolarHBondContact O-N 2.91Å; V555-I564 HydrophobicContact CB-CD1 4.4Å; V555-I564 HydrophobicContact CG1-CD1 4.08Å; V555-K569 WeakPolarHBondContact O-CD 3.29Å; V555-K569 WeakPolarHBondContact O-CE 3.45Å; V555-K569 PolarHBondContact O-NZ 3.16Å; V555-V572 HydrophobicContact CB-CG1 4.44Å; V555-V572 HydrophobicContact CG1-CB 4.15Å; V555-V572 HydrophobicContact CG1-CG1 3.78Å; V555-V572 HydrophobicContact CG1-CG2 4.4Å; V555-V572 HydrophobicContact CG2-CB 4.21Å; V555-V572 HydrophobicContact CG2-CG1 3.84Å; V555-V573 HydrophobicContact CG2-CG2 3.72Å
556E85Confident83.1Confident91 Ų9170.3 Ų70.343%0.42539%0.386SS..Hα-helixtrans-85.7-16.5174.7-72.9178.7162.300113.5K552 S553 S554 E558 V573K552-E556 WeakPolarHBondContact CE-OE1 3.32Å; K552-E556 WeakPolarHBondContact O-CB 3.47Å; K552-E556 WeakPolarHBondContact O-CG 3.32Å; K552-E556 PolarHBondContact O-N 3.44Å; K552-E556 VanDerWaalsContact O-N 3.08Å; S553-E556 PolarHBondContact O-N 3.43Å; S554-E556 VanDerWaalsContact C-N 3.3Å; S554-E556 PolarHBondContact O-N 3.28Å; E556-E558 PolarHBondContact O-N 3.5Å; E556-V573 HydrophobicContact CG-CG2 4.2Å
557D83.6Confident83.1Confident78 Ų7873 Ų7342%0.41739%0.391SS..  trans-55.7130.4179.4-165-50.2000112.5S553 S554 S559 L560S553-D557 PolarHBondContact O-N 3.1Å; S553-D557 VanDerWaalsContact O-N 3.08Å; S554-D557 WeakPolarHBondContact O-CB 3.48Å; S554-D557 PolarHBondContact O-N 2.58Å; D557-S559 PolarHBondContact O-N 3.07Å; D557-S559 WeakPolarHBondContact OD1-CB 3.48Å; D557-S559 PolarHBondContact OD1-N 3.23Å; D557-S559 PolarHBondContact OD1-OG 3.31Å; D557-L560 PolarHBondContact O-N 3.31Å; D557-L560 VanDerWaalsContact O-N 3.09Å
558E77.4Confident83.1Confident135 Ų13572.4 Ų72.463%0.63139%0.391SS*.G310 helixtrans-58.4-27.8177.6-75-85.614400112.5E556 L560 K561E556-E558 PolarHBondContact O-N 3.5Å; E558-L560 PolarHBondContact O-N 3.41Å; E558-K561 WeakPolarHBondContact O-CB 3.37Å; E558-K561 PolarHBondContact O-N 3.08Å; E558-K561 IonicContact OE1-NZ 2.68Å; E558-K561 PolarHBondContact OE1-NZ 3.14Å; E558-K561 WeakPolarHBondContact OE2-CD 3.26Å; E558-K561 IonicContact OE2-NZ 2.87Å; E558-K561 PolarHBondContact OE2-NZ 3.41Å
559S76.6Confident83Confident74 Ų7474.8 Ų74.852%0.51740%0.402SS..G310 helixtrans-70.2-18.1178.168.50000114.1D557D557-S559 PolarHBondContact O-N 3.07Å; D557-S559 WeakPolarHBondContact OD1-CB 3.48Å; D557-S559 PolarHBondContact OD1-N 3.23Å; D557-S559 PolarHBondContact OD1-OG 3.31Å
560L71.4Confident83.1Confident37 Ų3776.1 Ų76.119%0.19441%0.407CS..G310 helixtrans-97.6-1174.3-59.2-168.6000112.9S554 D557 E558 G562 K563 L612S554-L560 WeakPolarHBondContact O-CD1 3.48Å; D557-L560 PolarHBondContact O-N 3.31Å; D557-L560 VanDerWaalsContact O-N 3.09Å; E558-L560 PolarHBondContact O-N 3.41Å; L560-G562 PolarHBondContact O-N 2.87Å; L560-G562 VanDerWaalsContact O-N 3.15Å; L560-K563 PolarHBondContact O-N 2.78Å; L560-L612 HydrophobicContact CD1-CD1 4.36Å; L560-L612 HydrophobicContact CD2-CD2 3.89Å
561K65.9Low83.3Confident135 Ų13576.6 Ų76.659%0.58740%0.402SS*.THydrogen-bonded Turntrans-61.9115178.8-152.3171.6-173.5172.50109.6E558E558-K561 WeakPolarHBondContact O-CB 3.37Å; E558-K561 PolarHBondContact O-N 3.08Å; E558-K561 IonicContact OE1-NZ 2.68Å; E558-K561 PolarHBondContact OE1-NZ 3.14Å; E558-K561 WeakPolarHBondContact OE2-CD 3.26Å; E558-K561 IonicContact OE2-NZ 2.87Å; E558-K561 PolarHBondContact OE2-NZ 3.41Å
562G69.4Low83.5Confident75 Ų7576.2 Ų76.277%0.77340%0.4SS*.THydrogen-bonded Turntrans91.9-8.4-17600000115.9L560L560-G562 PolarHBondContact O-N 2.87Å; L560-G562 VanDerWaalsContact O-N 3.15Å
563K79.1Confident83.7Confident148 Ų14875 Ų7564%0.64340%0.396SS*.THydrogen-bonded Turntrans-95.6-17.7174-64.4-179.6-177.5167.10113.4L560 L612L560-K563 PolarHBondContact O-N 2.78Å; K563-L612 HydrophobicContact CB-CD2 4.24Å
564I84Confident84Confident18 Ų1875 Ų759%0.09239%0.39CS..SBendtrans-113.8141.8173.5-166167.5000109.6V555 D568 K569 I608 L612V555-I564 HydrophobicContact CB-CD1 4.4Å; V555-I564 HydrophobicContact CG1-CD1 4.08Å; I564-D568 HydrophobicContact CD1-CB 4.37Å; I564-D568 HydrophobicContact CG1-CB 4.01Å; I564-K569 HydrophobicContact CD1-CB 4.25Å; I564-K569 HydrophobicContact CG1-CB 4.41Å; I564-K569 HydrophobicContact CG2-CB 4.11Å; I564-I608 HydrophobicContact CD1-CG2 3.72Å; I564-I608 HydrophobicContact CG1-CG2 4.3Å; I564-L612 HydrophobicContact CB-CD1 3.72Å; I564-L612 HydrophobicContact CD1-CD1 4.01Å; I564-L612 HydrophobicContact CG1-CD1 4.07Å
565S86.7Confident84.4Confident52 Ų5274.1 Ų74.136%0.36438%0.38SS..  trans-67.3147.3173.478.20000109.9E567 D568 K569S565-E567 PolarHBondContact O-N 3.15Å; S565-D568 PolarHBondContact O-N 2.99Å; S565-D568 VanDerWaalsContact OG-CB 3.23Å; S565-D568 WeakPolarHBondContact OG-CB 3.4Å; S565-D568 PolarHBondContact OG-N 2.92Å; S565-D568 PolarHBondContact OG-OD2 3.01Å; S565-K569 WeakPolarHBondContact O-CB 3.28Å; S565-K569 PolarHBondContact O-N 3.48Å
566Q85.2Confident84.7Confident141 Ų14173.9 Ų73.966%0.65938%0.379SS*.Hα-helixtrans-61.3-30.9176.7-71.8-62.5-25.100111.9K570Q566-K570 VanDerWaalsContact O-CB 3.32Å; Q566-K570 WeakPolarHBondContact O-CB 3.17Å; Q566-K570 PolarHBondContact O-N 3.24Å
567E88.3Confident85.2Confident127 Ų12773.9 Ų73.959%0.59338%0.379SS*.Hα-helixtrans-68.1-47.4176.3-167.4-171.8154.800111.8S565 K570 K571S565-E567 PolarHBondContact O-N 3.15Å; E567-K570 PolarHBondContact O-N 3.09Å; E567-K571 WeakPolarHBondContact O-CG 3.09Å; E567-K571 PolarHBondContact O-N 3.07Å; E567-K571 WeakPolarHBondContact OE1-CE 3.49Å; E567-K571 IonicContact OE1-NZ 3.96Å; E567-K571 PolarHBondContact OE1-NZ 3.28Å
568D88.5Confident85.7Confident36 Ų3675.3 Ų75.319%0.19338%0.383CS..Hα-helixtrans-67.8-38.6178.2-68.2-37.9000111.4I564 S565 K571 V572 I608I564-D568 HydrophobicContact CD1-CB 4.37Å; I564-D568 HydrophobicContact CG1-CB 4.01Å; S565-D568 PolarHBondContact O-N 2.99Å; S565-D568 VanDerWaalsContact OG-CB 3.23Å; S565-D568 WeakPolarHBondContact OG-CB 3.4Å; S565-D568 PolarHBondContact OG-N 2.92Å; S565-D568 PolarHBondContact OG-OD2 3.01Å; D568-K571 PolarHBondContact O-N 2.81Å; D568-V572 WeakPolarHBondContact O-CG2 3.39Å; D568-V572 PolarHBondContact O-N 2.74Å; D568-I608 HydrophobicContact CB-CD1 4.05Å; D568-I608 HydrophobicContact CB-CG1 4.22Å; D568-I608 HydrophobicContact CB-CG2 3.8Å
569K88.2Confident86.5Confident50 Ų5069 Ų6922%0.21735%0.353CS..Hα-helixtrans-57.8-50.7173.2179.6172.5178.51640110.7V555 I564 S565 K571 V572 V573V555-K569 WeakPolarHBondContact O-CD 3.29Å; V555-K569 WeakPolarHBondContact O-CE 3.45Å; V555-K569 PolarHBondContact O-NZ 3.16Å; I564-K569 HydrophobicContact CD1-CB 4.25Å; I564-K569 HydrophobicContact CG1-CB 4.41Å; I564-K569 HydrophobicContact CG2-CB 4.11Å; S565-K569 WeakPolarHBondContact O-CB 3.28Å; S565-K569 PolarHBondContact O-N 3.48Å; K569-K571 VanDerWaalsContact C-N 3.35Å; K569-K571 PolarHBondContact O-N 2.84Å; K569-V572 PolarHBondContact O-N 2.79Å; K569-V573 WeakPolarHBondContact O-CG2 3.38Å; K569-V573 PolarHBondContact O-N 3.5Å
570K91.4Very high87.2Confident134 Ų13466.5 Ų66.558%0.58333%0.334SS*.Hα-helixtrans-59.5-44.7178.5-175.3176.2178.4-176.90111.5Q566 E567 V572 V573 D574Q566-K570 VanDerWaalsContact O-CB 3.32Å; Q566-K570 WeakPolarHBondContact O-CB 3.17Å; Q566-K570 PolarHBondContact O-N 3.24Å; E567-K570 PolarHBondContact O-N 3.09Å; K570-V572 VanDerWaalsContact C-N 3.35Å; K570-V572 PolarHBondContact O-N 3.1Å; K570-V573 PolarHBondContact O-N 2.94Å; K570-D574 VanDerWaalsContact CE-OD2 3.31Å; K570-D574 WeakPolarHBondContact CE-OD2 3.26Å; K570-D574 WeakPolarHBondContact CG-OD2 3.32Å; K570-D574 WeakPolarHBondContact O-CB 3.31Å; K570-D574 PolarHBondContact O-N 3.01Å
571K92.4Very high88.3Confident95 Ų9567.4 Ų67.441%0.41334%0.343SS..Hα-helixtrans-57.2-43.7177.3-76.7173.5-174.5163.10113.1E567 D568 K569 K575 I608E567-K571 WeakPolarHBondContact O-CG 3.09Å; E567-K571 PolarHBondContact O-N 3.07Å; E567-K571 WeakPolarHBondContact OE1-CE 3.49Å; E567-K571 IonicContact OE1-NZ 3.96Å; E567-K571 PolarHBondContact OE1-NZ 3.28Å; D568-K571 PolarHBondContact O-N 2.81Å; K569-K571 VanDerWaalsContact C-N 3.35Å; K569-K571 PolarHBondContact O-N 2.84Å; K571-K575 WeakPolarHBondContact O-CB 3.47Å; K571-K575 PolarHBondContact O-N 2.87Å; K571-K575 VanDerWaalsContact O-N 3.14Å; K571-I608 HydrophobicContact CB-CD1 4.44Å
572V91.5Very high89.7Confident0 Ų063.3 Ų63.30%032%0.324CS..Hα-helixtrans-67.9-46.4178.7174.40000111M551 V555 D568 K569 K570 K575 C576 I608M551-V572 HydrophobicContact CE-CG1 3.91Å; V555-V572 HydrophobicContact CB-CG1 4.44Å; V555-V572 HydrophobicContact CG1-CB 4.15Å; V555-V572 HydrophobicContact CG1-CG1 3.78Å; V555-V572 HydrophobicContact CG1-CG2 4.4Å; V555-V572 HydrophobicContact CG2-CB 4.21Å; V555-V572 HydrophobicContact CG2-CG1 3.84Å; D568-V572 WeakPolarHBondContact O-CG2 3.39Å; D568-V572 PolarHBondContact O-N 2.74Å; K569-V572 PolarHBondContact O-N 2.79Å; K570-V572 VanDerWaalsContact C-N 3.35Å; K570-V572 PolarHBondContact O-N 3.1Å; V572-K575 PolarHBondContact O-N 2.87Å; V572-C576 WeakPolarHBondContact O-CB 3.03Å; V572-C576 PolarHBondContact O-N 3.08Å; V572-C576 PolarHBondContact O-SG 2.97Å; V572-I608 HydrophobicContact CG2-CB 4.32Å; V572-I608 HydrophobicContact CG2-CD1 3.6Å; V572-I608 HydrophobicContact CG2-CG2 4.11Å
573V92.6Very high90.7Very high17 Ų1760 Ų6010%0.10329%0.289CS..Hα-helixtrans-61.9-50-179.9173.30000110.9V555 E556 K569 K570 K575 C576 E577V555-V573 HydrophobicContact CG2-CG2 3.72Å; E556-V573 HydrophobicContact CG-CG2 4.2Å; K569-V573 WeakPolarHBondContact O-CG2 3.38Å; K569-V573 PolarHBondContact O-N 3.5Å; K570-V573 PolarHBondContact O-N 2.94Å; V573-K575 VanDerWaalsContact C-N 3.27Å; V573-K575 PolarHBondContact O-N 2.91Å; V573-C576 PolarHBondContact O-N 2.85Å; V573-C576 VanDerWaalsContact O-N 3.14Å; V573-E577 HydrophobicContact CG1-CG 4.43Å; V573-E577 WeakPolarHBondContact O-CG 3.38Å; V573-E577 PolarHBondContact O-N 2.84Å
574D94.4Very high91.2Very high76 Ų7659.2 Ų59.241%0.40629%0.287SS..Hα-helixtrans-57.4-42.1179-68.5-5.5000110.6K570 E577 E578K570-D574 VanDerWaalsContact CE-OD2 3.31Å; K570-D574 WeakPolarHBondContact CE-OD2 3.26Å; K570-D574 WeakPolarHBondContact CG-OD2 3.32Å; K570-D574 WeakPolarHBondContact O-CB 3.31Å; K570-D574 PolarHBondContact O-N 3.01Å; D574-E577 PolarHBondContact O-N 3.37Å; D574-E578 WeakPolarHBondContact O-CB 3.36Å; D574-E578 PolarHBondContact O-N 2.84Å
575K95.2Very high91.6Very high33 Ų3364.2 Ų64.214%0.14331%0.314CS..Hα-helixtrans-69.3-39.5178-168.369.1-163.7166.20112.7K571 V572 V573 E577 E578 T579 L601 V604K571-K575 WeakPolarHBondContact O-CB 3.47Å; K571-K575 PolarHBondContact O-N 2.87Å; K571-K575 VanDerWaalsContact O-N 3.14Å; V572-K575 PolarHBondContact O-N 2.87Å; V573-K575 VanDerWaalsContact C-N 3.27Å; V573-K575 PolarHBondContact O-N 2.91Å; K575-E577 VanDerWaalsContact C-N 3.33Å; K575-E578 WeakPolarHBondContact CD-OE2 3.31Å; K575-E578 IonicContact NZ-OE1 2.65Å; K575-E578 PolarHBondContact NZ-OE1 3.27Å; K575-E578 IonicContact NZ-OE2 2.96Å; K575-E578 PolarHBondContact NZ-OE2 2.71Å; K575-E578 PolarHBondContact O-N 2.92Å; K575-T579 PolarHBondContact O-N 3.43Å; K575-T579 PolarHBondContact O-OG1 3.49Å; K575-T579 VanDerWaalsContact O-OG1 3.09Å; K575-L601 HydrophobicContact CB-CD1 4.2Å; K575-L601 HydrophobicContact CG-CD1 3.71Å; K575-V604 HydrophobicContact CB-CG1 4.3Å; K575-V604 HydrophobicContact CD-CG2 4.33Å; K575-V604 HydrophobicContact CG-CB 4.28Å; K575-V604 HydrophobicContact CG-CG1 4.46Å; K575-V604 HydrophobicContact CG-CG2 4.12Å
576C93.1Very high91.7Very high0 Ų064.6 Ų64.60%031%0.312CS..Hα-helixtrans-62.8-42.2175.1-66.20000111K552 V572 V573 T579 I580K552-C576 HydrophobicContact CB-CB 4.03Å; V572-C576 WeakPolarHBondContact O-CB 3.03Å; V572-C576 PolarHBondContact O-N 3.08Å; V572-C576 PolarHBondContact O-SG 2.97Å; V573-C576 PolarHBondContact O-N 2.85Å; V573-C576 VanDerWaalsContact O-N 3.14Å; C576-T579 PolarHBondContact O-N 3Å; C576-I580 WeakPolarHBondContact O-CB 3.15Å; C576-I580 WeakPolarHBondContact O-CD1 3.23Å; C576-I580 WeakPolarHBondContact O-CG1 3.4Å; C576-I580 PolarHBondContact O-N 2.83Å
577E93.9Very high91.6Very high91 Ų9162.5 Ų62.543%0.42530%0.302SS..Hα-helixtrans-66.3-40.2177-71.4-176.8168.200112.4K552 V573 D574 K575 I580 S581K552-E577 IonicContact NZ-OE1 3.7Å; K552-E577 PolarHBondContact NZ-OE1 2.81Å; V573-E577 HydrophobicContact CG1-CG 4.43Å; V573-E577 WeakPolarHBondContact O-CG 3.38Å; V573-E577 PolarHBondContact O-N 2.84Å; D574-E577 PolarHBondContact O-N 3.37Å; K575-E577 VanDerWaalsContact C-N 3.33Å; E577-I580 PolarHBondContact O-N 3.15Å; E577-S581 VanDerWaalsContact O-CB 3.31Å; E577-S581 WeakPolarHBondContact O-CB 3.45Å; E577-S581 PolarHBondContact O-N 2.85Å
578E95.1Very high91.4Very high108 Ų10862.7 Ų62.751%0.50531%0.307SS..Hα-helixtrans-59.1-46.5171.8-171.1-163151.500111.1D574 K575 S581 W582D574-E578 WeakPolarHBondContact O-CB 3.36Å; D574-E578 PolarHBondContact O-N 2.84Å; K575-E578 WeakPolarHBondContact CD-OE2 3.31Å; K575-E578 IonicContact NZ-OE1 2.65Å; K575-E578 PolarHBondContact NZ-OE1 3.27Å; K575-E578 IonicContact NZ-OE2 2.96Å; K575-E578 PolarHBondContact NZ-OE2 2.71Å; K575-E578 PolarHBondContact O-N 2.92Å; E578-S581 PolarHBondContact O-N 3.47Å; E578-W582 WeakPolarHBondContact O-CB 3.44Å; E578-W582 PolarHBondContact O-N 2.94Å
579T94.3Very high91.4Very high1 Ų161.4 Ų61.41%0.00630%0.301CS..Hα-helixtrans-64.4-41.3177.9-63.30000112.3L544 A548 K575 C576 W582 L583 L601L544-T579 HydrophobicContact CD1-CG2 3.54Å; L544-T579 HydrophobicContact CD2-CG2 4.11Å; L544-T579 HydrophobicContact CG-CG2 3.88Å; A548-T579 HydrophobicContact CB-CG2 4.34Å; K575-T579 PolarHBondContact O-N 3.43Å; K575-T579 PolarHBondContact O-OG1 3.49Å; K575-T579 VanDerWaalsContact O-OG1 3.09Å; C576-T579 PolarHBondContact O-N 3Å; T579-W582 PolarHBondContact O-N 2.85Å; T579-L583 WeakPolarHBondContact O-CG 3.5Å; T579-L583 PolarHBondContact O-N 3.37Å; T579-L601 HydrophobicContact CG2-CD2 4.17Å
580I91.8Very high91.5Very high23 Ų2364.2 Ų64.212%0.11832%0.315CS..Hα-helixtrans-65.1-46177-69.1164000110.4A548 F549 C576 E577 W582 L583 E584A548-I580 HydrophobicContact CB-CD1 4.46Å; A548-I580 HydrophobicContact CB-CG1 4.09Å; F549-I580 HydrophobicContact CD1-CD1 4.39Å; F549-I580 HydrophobicContact CE1-CD1 4.11Å; F549-I580 HydrophobicContact CE2-CD1 4.45Å; F549-I580 HydrophobicContact CZ-CD1 4.14Å; C576-I580 WeakPolarHBondContact O-CB 3.15Å; C576-I580 WeakPolarHBondContact O-CD1 3.23Å; C576-I580 WeakPolarHBondContact O-CG1 3.4Å; C576-I580 PolarHBondContact O-N 2.83Å; E577-I580 PolarHBondContact O-N 3.15Å; I580-W582 VanDerWaalsContact C-N 3.3Å; I580-W582 PolarHBondContact O-N 3.3Å; I580-L583 WeakPolarHBondContact O-CB 3.28Å; I580-L583 PolarHBondContact O-N 3.11Å; I580-L583 VanDerWaalsContact O-N 3.15Å; I580-E584 WeakPolarHBondContact O-CG 3.38Å; I580-E584 PolarHBondContact O-N 2.88Å
581S93.6Very high91.4Very high55 Ų5561 Ų6139%0.38530%0.301SS..Hα-helixtrans-62.2-38.4175.1-178.40000111.9E577 E578 E584 N585E577-S581 VanDerWaalsContact O-CB 3.31Å; E577-S581 WeakPolarHBondContact O-CB 3.45Å; E577-S581 PolarHBondContact O-N 2.85Å; E578-S581 PolarHBondContact O-N 3.47Å; S581-E584 PolarHBondContact O-N 2.9Å; S581-N585 PolarHBondContact O-N 3.39Å; S581-N585 VanDerWaalsContact O-N 3.13Å; S581-N585 PolarHBondContact O-ND2 2.64Å
582W95.4Very high91.5Very high50 Ų5062.1 Ų62.119%0.18931%0.312CS..Hα-helixtrans-62.7-44.8173.4-175.992.4000111.2L544 E578 T579 I580 E584 N585 N586 A589 E593 Y594 Q597L544-W582 HydrophobicContact CD2-CZ3 4.46Å; E578-W582 WeakPolarHBondContact O-CB 3.44Å; E578-W582 PolarHBondContact O-N 2.94Å; T579-W582 PolarHBondContact O-N 2.85Å; I580-W582 VanDerWaalsContact C-N 3.3Å; I580-W582 PolarHBondContact O-N 3.3Å; W582-E584 PolarHBondContact O-N 2.94Å; W582-N585 PolarHBondContact O-N 3.4Å; W582-N586 HydrophobicContact CD2-CB 4.15Å; W582-N586 HydrophobicContact CE3-CB 4.33Å; W582-N586 HydrophobicContact CH2-CB 4.11Å; W582-N586 HydrophobicContact CZ2-CB 3.9Å; W582-N586 HydrophobicContact CZ3-CB 4.31Å; W582-N586 PolarHBondContact NE1-ND2 3.39Å; W582-N586 VanDerWaalsContact O-CB 3.28Å; W582-N586 WeakPolarHBondContact O-CB 3.11Å; W582-N586 PolarHBondContact O-N 3.12Å; W582-N586 PolarHBondContact O-ND2 2.99Å; W582-A589 HydrophobicContact CH2-CB 3.58Å; W582-A589 HydrophobicContact CZ2-CB 4.1Å; W582-A589 HydrophobicContact CZ3-CB 4.46Å; W582-E593 HydrophobicContact CH2-CB 4.18Å; W582-E593 HydrophobicContact CZ2-CB 4.45Å; W582-Y594 HydrophobicContact CH2-CD1 4.11Å; W582-Y594 HydrophobicContact CH2-CE1 4.21Å; W582-Y594 AromaticContact CZ3-CD1 3.66Å; W582-Y594 HydrophobicContact CZ3-CD1 3.66Å; W582-Y594 AromaticContact CZ3-CE1 3.76Å; W582-Y594 HydrophobicContact CZ3-CE1 3.76Å; W582-Q597 HydrophobicContact CD2-CG 3.89Å; W582-Q597 HydrophobicContact CE3-CB 4.47Å; W582-Q597 HydrophobicContact CE3-CG 3.8Å; W582-Q597 HydrophobicContact CH2-CG 3.81Å; W582-Q597 HydrophobicContact CZ2-CG 3.89Å; W582-Q597 HydrophobicContact CZ3-CB 4.39Å; W582-Q597 HydrophobicContact CZ3-CG 3.77Å
583L90.3Very high91.6Very high5 Ų566.5 Ų66.53%0.02633%0.332CS..Hα-helixtrans-57.1-48.6175.6-80.5169.8000111.4K541 L544 E545 T579 I580 N585 N586 Q587 Y594K541-L583 HydrophobicContact CG-CD2 3.91Å; L544-L583 HydrophobicContact CD2-CD1 4.42Å; L544-L583 HydrophobicContact CD2-CD2 3.84Å; L544-L583 HydrophobicContact CD2-CG 4.16Å; L544-L583 HydrophobicContact CG-CD1 4.13Å; L544-L583 HydrophobicContact CG-CD2 4.31Å; L544-L583 HydrophobicContact CG-CG 4.41Å; E545-L583 HydrophobicContact CB-CD1 3.8Å; E545-L583 HydrophobicContact CG-CD1 4.28Å; T579-L583 WeakPolarHBondContact O-CG 3.5Å; T579-L583 PolarHBondContact O-N 3.37Å; I580-L583 WeakPolarHBondContact O-CB 3.28Å; I580-L583 PolarHBondContact O-N 3.11Å; I580-L583 VanDerWaalsContact O-N 3.15Å; L583-N585 VanDerWaalsContact C-N 3.28Å; L583-N585 PolarHBondContact O-N 3.31Å; L583-N586 PolarHBondContact O-N 3.07Å; L583-Q587 PolarHBondContact O-NE2 3.23Å; L583-Y594 HydrophobicContact CD2-CD1 3.83Å; L583-Y594 HydrophobicContact CD2-CE1 3.67Å
584E89.5Confident91.6Very high131 Ų13165.9 Ų65.961%0.61233%0.328SS*.Hα-helixtrans-57.6-39.8179.1-72.4176.8172.100112.5I580 S581 W582I580-E584 WeakPolarHBondContact O-CG 3.38Å; I580-E584 PolarHBondContact O-N 2.88Å; S581-E584 PolarHBondContact O-N 2.9Å; W582-E584 PolarHBondContact O-N 2.94Å
585N92.1Very high91.5Very high123 Ų12365.7 Ų65.766%0.65833%0.325SS*.Hα-helixtrans-85.7-15.8-178.2-68.6-58.5000114.1S581 W582 L583S581-N585 PolarHBondContact O-N 3.39Å; S581-N585 VanDerWaalsContact O-N 3.13Å; S581-N585 PolarHBondContact O-ND2 2.64Å; W582-N585 PolarHBondContact O-N 3.4Å; L583-N585 VanDerWaalsContact C-N 3.28Å; L583-N585 PolarHBondContact O-N 3.31Å
586N89.9Confident91.5Very high60 Ų6069 Ų6932%0.32134%0.341SS..  trans-125.146-172.3-61.8-87.1000112.4W582 L583 L588 A589 Y594W582-N586 HydrophobicContact CD2-CB 4.15Å; W582-N586 HydrophobicContact CE3-CB 4.33Å; W582-N586 HydrophobicContact CH2-CB 4.11Å; W582-N586 HydrophobicContact CZ2-CB 3.9Å; W582-N586 HydrophobicContact CZ3-CB 4.31Å; W582-N586 PolarHBondContact NE1-ND2 3.39Å; W582-N586 VanDerWaalsContact O-CB 3.28Å; W582-N586 WeakPolarHBondContact O-CB 3.11Å; W582-N586 PolarHBondContact O-N 3.12Å; W582-N586 PolarHBondContact O-ND2 2.99Å; L583-N586 PolarHBondContact O-N 3.07Å; N586-L588 PolarHBondContact O-N 3.03Å; N586-A589 HydrophobicContact CB-CB 4.13Å; N586-A589 WeakPolarHBondContact O-CB 3.35Å; N586-A589 PolarHBondContact O-N 2.84Å; N586-A589 VanDerWaalsContact O-N 3.07Å; N586-Y594 PolarHBondContact O-OH 2.89Å; N586-Y594 VanDerWaalsContact O-OH 3.13Å
587Q82.8Confident91.7Very high97 Ų9770.7 Ų70.745%0.45335%0.348SS..THydrogen-bonded Turntrans-59.9-20-177.9-63-73.7-5200114.3L583 Y594L583-Q587 PolarHBondContact O-NE2 3.23Å; Q587-Y594 PolarHBondContact O-OH 2.85Å; Q587-Y594 VanDerWaalsContact O-OH 3.07Å
588L83.4Confident91.7Very high131 Ų13168 Ų6869%0.68634%0.336SS*.THydrogen-bonded Turntrans-100.4-0.5-179.8-61.4178.8000114T49 K537 N586T49-L588 HydrophobicContact CG2-CD2 4.33Å; K537-L588 PolarHBondContact NZ-O 3.29Å; N586-L588 PolarHBondContact O-N 3.03Å
589A88.3Confident91.7Very high9 Ų968.5 Ų68.57%0.07434%0.336CS..  trans-57.9146.7-178.800000112.3K537 W582 N586 E593 Y594K537-A589 WeakPolarHBondContact CE-O 3.35Å; K537-A589 PolarHBondContact NZ-O 2.99Å; W582-A589 HydrophobicContact CH2-CB 3.58Å; W582-A589 HydrophobicContact CZ2-CB 4.1Å; W582-A589 HydrophobicContact CZ3-CB 4.46Å; N586-A589 HydrophobicContact CB-CB 4.13Å; N586-A589 WeakPolarHBondContact O-CB 3.35Å; N586-A589 PolarHBondContact O-N 2.84Å; N586-A589 VanDerWaalsContact O-N 3.07Å; A589-E593 WeakPolarHBondContact CA-OE2 3.4Å; A589-E593 HydrophobicContact CB-CB 4.1Å; A589-Y594 HydrophobicContact CB-CE1 4.15Å; A589-Y594 HydrophobicContact CB-CE2 4.42Å; A589-Y594 WeakPolarHBondContact O-CE2 3.45Å
590E90.4Very high91.7Very high110 Ų11071.2 Ų71.251%0.51435%0.349SS..  trans-72.1162-177.4-69.6-54.3130.300113.5K537 D592 E593 Y594K537-E590 IonicContact NZ-OE1 2.82Å; K537-E590 PolarHBondContact NZ-OE1 3.17Å; K537-E590 IonicContact NZ-OE2 3.59Å; E590-D592 VanDerWaalsContact C-N 3.25Å; E590-D592 PolarHBondContact O-N 3Å; E590-E593 HydrophobicContact CB-CG 4.41Å; E590-E593 PolarHBondContact N-OE2 2.88Å; E590-E593 WeakPolarHBondContact O-CB 3.29Å; E590-E593 PolarHBondContact O-N 2.82Å; E590-Y594 WeakPolarHBondContact O-CD2 3.34Å; E590-Y594 PolarHBondContact O-N 2.77Å; E590-Y594 VanDerWaalsContact O-N 3.13Å
591K90.6Very high91.8Very high65 Ų6570.1 Ų70.128%0.28334%0.343SS..Hα-helixtrans-50.1-46.4180179.6-175.4-178.5174.60112.3D536 K537 A540 E593 Y594 Q595D536-K591 HydrophobicContact CB-CD 4.14Å; D536-K591 IonicContact OD2-NZ 2.98Å; D536-K591 PolarHBondContact OD2-NZ 2.85Å; K537-K591 HydrophobicContact CB-CB 4.5Å; A540-K591 HydrophobicContact CB-CG 4.1Å; K591-E593 VanDerWaalsContact C-N 3.26Å; K591-E593 PolarHBondContact O-N 3.34Å; K591-Y594 PolarHBondContact O-N 2.95Å; K591-Q595 WeakPolarHBondContact O-CG 3.4Å; K591-Q595 PolarHBondContact O-N 2.9Å
592D93.8Very high91.8Very high119 Ų11970.1 Ų70.164%0.63634%0.337SS*.Hα-helixtrans-66.5-29.8-177.8-68.3-16.1000112.2E590 H596E590-D592 VanDerWaalsContact C-N 3.25Å; E590-D592 PolarHBondContact O-N 3Å; D592-H596 WeakPolarHBondContact O-CB 3.45Å; D592-H596 PolarHBondContact O-N 2.95Å
593E93.4Very high91.8Very high93 Ų9374.2 Ų74.244%0.43536%0.356SS..Hα-helixtrans-70.9-44.4175.6-61-177.79400110.9W582 A589 E590 K591 Q595 H596 Q597W582-E593 HydrophobicContact CH2-CB 4.18Å; W582-E593 HydrophobicContact CZ2-CB 4.45Å; A589-E593 WeakPolarHBondContact CA-OE2 3.4Å; A589-E593 HydrophobicContact CB-CB 4.1Å; E590-E593 HydrophobicContact CB-CG 4.41Å; E590-E593 PolarHBondContact N-OE2 2.88Å; E590-E593 WeakPolarHBondContact O-CB 3.29Å; E590-E593 PolarHBondContact O-N 2.82Å; K591-E593 VanDerWaalsContact C-N 3.26Å; K591-E593 PolarHBondContact O-N 3.34Å; E593-Q595 VanDerWaalsContact C-N 3.34Å; E593-Q595 PolarHBondContact O-N 2.8Å; E593-H596 PolarHBondContact O-N 2.81Å; E593-Q597 WeakPolarHBondContact O-CG 3.4Å; E593-Q597 PolarHBondContact O-N 2.66Å
594Y92.5Very high91.9Very high3 Ų376.2 Ų76.21%0.01237%0.369CS..Hα-helixtrans-59.6-45.3172.7-67.6-55.4000111.5K537 K541 L544 W582 L583 N586 Q587 A589 E590 K591 H596 Q597 Q598K537-Y594 HydrophobicContact CG-CD2 4.34Å; K537-Y594 HydrophobicContact CG-CE2 3.99Å; K541-Y594 HydrophobicContact CB-CD1 4.11Å; K541-Y594 HydrophobicContact CB-CD2 3.98Å; K541-Y594 HydrophobicContact CB-CE1 4.02Å; K541-Y594 HydrophobicContact CB-CE2 3.84Å; K541-Y594 HydrophobicContact CB-CG 4.13Å; K541-Y594 HydrophobicContact CD-CE1 4.33Å; K541-Y594 HydrophobicContact CG-CD1 4.21Å; K541-Y594 HydrophobicContact CG-CE1 3.77Å; K541-Y594 HydrophobicContact CG-CE2 4.31Å; L544-Y594 HydrophobicContact CD2-CD1 4.23Å; W582-Y594 HydrophobicContact CH2-CD1 4.11Å; W582-Y594 HydrophobicContact CH2-CE1 4.21Å; W582-Y594 AromaticContact CZ3-CD1 3.66Å; W582-Y594 HydrophobicContact CZ3-CD1 3.66Å; W582-Y594 AromaticContact CZ3-CE1 3.76Å; W582-Y594 HydrophobicContact CZ3-CE1 3.76Å; L583-Y594 HydrophobicContact CD2-CD1 3.83Å; L583-Y594 HydrophobicContact CD2-CE1 3.67Å; N586-Y594 PolarHBondContact O-OH 2.89Å; N586-Y594 VanDerWaalsContact O-OH 3.13Å; Q587-Y594 PolarHBondContact O-OH 2.85Å; Q587-Y594 VanDerWaalsContact O-OH 3.07Å; A589-Y594 HydrophobicContact CB-CE1 4.15Å; A589-Y594 HydrophobicContact CB-CE2 4.42Å; A589-Y594 WeakPolarHBondContact O-CE2 3.45Å; E590-Y594 WeakPolarHBondContact O-CD2 3.34Å; E590-Y594 PolarHBondContact O-N 2.77Å; E590-Y594 VanDerWaalsContact O-N 3.13Å; K591-Y594 PolarHBondContact O-N 2.95Å; Y594-H596 VanDerWaalsContact C-N 3.33Å; Y594-H596 PolarHBondContact O-N 2.92Å; Y594-Q597 PolarHBondContact O-N 3.27Å; Y594-Q598 PolarHBondContact O-N 2.77Å
595Q93.1Very high91.9Very high73 Ų7370 Ų7034%0.34134%0.34SS..Hα-helixtrans-65.5-36.2177.5-70.9-176.1-7.600112.5A540 K591 E593 Q598 K599A540-Q595 HydrophobicContact CB-CG 4.28Å; K591-Q595 WeakPolarHBondContact O-CG 3.4Å; K591-Q595 PolarHBondContact O-N 2.9Å; E593-Q595 VanDerWaalsContact C-N 3.34Å; E593-Q595 PolarHBondContact O-N 2.8Å; Q595-Q598 PolarHBondContact O-N 3.48Å; Q595-K599 WeakPolarHBondContact O-CG 3.24Å; Q595-K599 PolarHBondContact O-N 2.7Å
596H95.4Very high91.8Very high103 Ų10367.6 Ų67.648%0.47733%0.327SS..Hα-helixtrans-63.4-48.5174.3179.5-85000110.9D592 E593 Y594 Q598 K599 E600D592-H596 WeakPolarHBondContact O-CB 3.45Å; D592-H596 PolarHBondContact O-N 2.95Å; E593-H596 PolarHBondContact O-N 2.81Å; Y594-H596 VanDerWaalsContact C-N 3.33Å; Y594-H596 PolarHBondContact O-N 2.92Å; H596-Q598 VanDerWaalsContact C-N 3.29Å; H596-Q598 PolarHBondContact O-N 2.78Å; H596-K599 PolarHBondContact O-N 2.84Å; H596-K599 VanDerWaalsContact O-N 3.14Å; H596-E600 WeakPolarHBondContact O-CG 3.47Å; H596-E600 PolarHBondContact O-N 2.8Å
597Q95.4Very high91.9Very high34 Ų3468 Ų6816%0.15933%0.333CS..Hα-helixtrans-61.2-37.7176.4-70.2-60.7-22.100112.2L544 W582 E593 Y594 E600 L601L544-Q597 HydrophobicContact CD1-CB 4.5Å; L544-Q597 HydrophobicContact CD2-CB 3.6Å; W582-Q597 HydrophobicContact CD2-CG 3.89Å; W582-Q597 HydrophobicContact CE3-CB 4.47Å; W582-Q597 HydrophobicContact CE3-CG 3.8Å; W582-Q597 HydrophobicContact CH2-CG 3.81Å; W582-Q597 HydrophobicContact CZ2-CG 3.89Å; W582-Q597 HydrophobicContact CZ3-CB 4.39Å; W582-Q597 HydrophobicContact CZ3-CG 3.77Å; E593-Q597 WeakPolarHBondContact O-CG 3.4Å; E593-Q597 PolarHBondContact O-N 2.66Å; Y594-Q597 PolarHBondContact O-N 3.27Å; Q597-E600 PolarHBondContact O-N 2.92Å; Q597-L601 PolarHBondContact O-N 2.8Å
598Q93.9Very high92Very high34 Ų3464.1 Ų64.116%0.15932%0.315CS..Hα-helixtrans-60.1-47.1172.7-168.7177.1-27.700111.8S543 L544 Y594 Q595 H596 E600 L601 E602S543-Q598 PolarHBondContact OG-OE1 2.7Å; L544-Q598 HydrophobicContact CB-CB 4.49Å; L544-Q598 VanDerWaalsContact CD1-CA 3.48Å; L544-Q598 HydrophobicContact CD1-CB 3.81Å; L544-Q598 HydrophobicContact CD1-CG 4.26Å; Y594-Q598 PolarHBondContact O-N 2.77Å; Q595-Q598 PolarHBondContact O-N 3.48Å; H596-Q598 VanDerWaalsContact C-N 3.29Å; H596-Q598 PolarHBondContact O-N 2.78Å; Q598-E600 VanDerWaalsContact C-N 3.31Å; Q598-E600 PolarHBondContact O-N 2.79Å; Q598-L601 PolarHBondContact O-N 2.81Å; Q598-E602 HydrophobicContact CG-CG 4.44Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.21Å; Q598-E602 PolarHBondContact NE2-OE1 2.9Å; Q598-E602 WeakPolarHBondContact O-CB 3.4Å; Q598-E602 VanDerWaalsContact O-CG 3.29Å; Q598-E602 WeakPolarHBondContact O-CG 3.05Å; Q598-E602 PolarHBondContact O-N 2.82Å
599K95.1Very high91.9Very high119 Ų11960 Ų6052%0.51729%0.293SS..Hα-helixtrans-62.2-37.8176.5-71.9173.8-175.4172.20112.3Q595 H596 E602 K603Q595-K599 WeakPolarHBondContact O-CG 3.24Å; Q595-K599 PolarHBondContact O-N 2.7Å; H596-K599 PolarHBondContact O-N 2.84Å; H596-K599 VanDerWaalsContact O-N 3.14Å; K599-E602 PolarHBondContact O-N 2.84Å; K599-K603 WeakPolarHBondContact O-CB 2.89Å; K599-K603 VanDerWaalsContact O-CG 3.24Å; K599-K603 WeakPolarHBondContact O-CG 3.36Å; K599-K603 PolarHBondContact O-N 3.18Å
600E95.6Very high91.7Very high58 Ų5862.3 Ų62.327%0.27131%0.309SS..Hα-helixtrans-65.1-41.5175.8-72-58.5111.600112H596 Q597 Q598 K603H596-E600 WeakPolarHBondContact O-CG 3.47Å; H596-E600 PolarHBondContact O-N 2.8Å; Q597-E600 PolarHBondContact O-N 2.92Å; Q598-E600 VanDerWaalsContact C-N 3.31Å; Q598-E600 PolarHBondContact O-N 2.79Å; E600-K603 PolarHBondContact O-N 3.41Å; E600-K603 WeakPolarHBondContact OE1-CD 3.42Å; E600-K603 WeakPolarHBondContact OE1-CE 3.39Å; E600-K603 IonicContact OE1-NZ 3.18Å; E600-K603 PolarHBondContact OE1-NZ 3.5Å
601L94.1Very high91.3Very high0 Ų063.4 Ų63.40%031%0.312CS..Hα-helixtrans-65.6-45.5174.1-178.559.1000111.3L544 Y547 A548 K575 T579 Q597 Q598 K603 V604 C605L544-L601 HydrophobicContact CD1-CD2 4.32Å; Y547-L601 HydrophobicContact CD1-CD2 3.6Å; Y547-L601 HydrophobicContact CD1-CG 3.98Å; Y547-L601 HydrophobicContact CE1-CB 4.42Å; Y547-L601 HydrophobicContact CE1-CD2 4Å; Y547-L601 HydrophobicContact CE1-CG 3.84Å; A548-L601 HydrophobicContact CB-CD2 3.75Å; K575-L601 HydrophobicContact CB-CD1 4.2Å; K575-L601 HydrophobicContact CG-CD1 3.71Å; T579-L601 HydrophobicContact CG2-CD2 4.17Å; Q597-L601 PolarHBondContact O-N 2.8Å; Q598-L601 PolarHBondContact O-N 2.81Å; L601-K603 VanDerWaalsContact C-N 3.32Å; L601-K603 PolarHBondContact O-N 3.25Å; L601-V604 PolarHBondContact O-N 3.37Å; L601-V604 VanDerWaalsContact O-N 3.11Å; L601-C605 WeakPolarHBondContact O-CB 3.37Å; L601-C605 PolarHBondContact O-N 3.34Å; L601-C605 PolarHBondContact O-SG 2.76Å
602E93.8Very high90.4Very high56 Ų5662 Ų6226%0.26231%0.307SS..Hα-helixtrans-57.9-40175.5-76.6172.8-173.600112.7Y547 Q598 K599 V604 C605 N606Y547-E602 HydrophobicContact CD1-CG 4.34Å; Y547-E602 HydrophobicContact CE1-CB 4.44Å; Y547-E602 HydrophobicContact CE1-CG 3.56Å; Q598-E602 HydrophobicContact CG-CG 4.44Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.21Å; Q598-E602 PolarHBondContact NE2-OE1 2.9Å; Q598-E602 WeakPolarHBondContact O-CB 3.4Å; Q598-E602 VanDerWaalsContact O-CG 3.29Å; Q598-E602 WeakPolarHBondContact O-CG 3.05Å; Q598-E602 PolarHBondContact O-N 2.82Å; K599-E602 PolarHBondContact O-N 2.84Å; E602-V604 PolarHBondContact O-N 2.89Å; E602-C605 PolarHBondContact O-N 2.6Å; E602-N606 WeakPolarHBondContact O-CB 3.35Å; E602-N606 PolarHBondContact O-N 2.79Å; E602-N606 PolarHBondContact O-ND2 3.46Å
603K94.4Very high89.3Confident135 Ų13565.1 Ų65.159%0.58731%0.311SS*.Hα-helixtrans-59.3-32.4176.5-79.3170.6-173.1173.90112.8K599 E600 L601 P607K599-K603 WeakPolarHBondContact O-CB 2.89Å; K599-K603 VanDerWaalsContact O-CG 3.24Å; K599-K603 WeakPolarHBondContact O-CG 3.36Å; K599-K603 PolarHBondContact O-N 3.18Å; E600-K603 PolarHBondContact O-N 3.41Å; E600-K603 WeakPolarHBondContact OE1-CD 3.42Å; E600-K603 WeakPolarHBondContact OE1-CE 3.39Å; E600-K603 IonicContact OE1-NZ 3.18Å; E600-K603 PolarHBondContact OE1-NZ 3.5Å; L601-K603 VanDerWaalsContact C-N 3.32Å; L601-K603 PolarHBondContact O-N 3.25Å; K603-P607 WeakPolarHBondContact O-CD 3.36Å; K603-P607 VanDerWaalsContact O-CG 3.31Å; K603-P607 WeakPolarHBondContact O-CG 3.11Å
604V92.7Very high87.9Confident48 Ų4868.2 Ų68.229%0.29133%0.326SS..Hα-helixtrans-84.6-46.1177.7179.10000110.8K575 L601 E602 I608K575-V604 HydrophobicContact CB-CG1 4.3Å; K575-V604 HydrophobicContact CD-CG2 4.33Å; K575-V604 HydrophobicContact CG-CB 4.28Å; K575-V604 HydrophobicContact CG-CG1 4.46Å; K575-V604 HydrophobicContact CG-CG2 4.12Å; L601-V604 PolarHBondContact O-N 3.37Å; L601-V604 VanDerWaalsContact O-N 3.11Å; E602-V604 PolarHBondContact O-N 2.89Å; V604-I608 HydrophobicContact CG1-CD1 4.49Å; V604-I608 WeakPolarHBondContact O-CD1 3.38Å
605C89.8Confident86Confident0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-71.6-44.6-174.7-66.10000113.2M551 L601 E602 I608 I609M551-C605 HydrophobicContact CE-CB 3.62Å; M551-C605 HydrophobicContact CG-CB 4.27Å; M551-C605 HydrophobicContact SD-CB 3.92Å; L601-C605 WeakPolarHBondContact O-CB 3.37Å; L601-C605 PolarHBondContact O-N 3.34Å; L601-C605 PolarHBondContact O-SG 2.76Å; E602-C605 PolarHBondContact O-N 2.6Å; C605-I608 PolarHBondContact O-N 3.14Å; C605-I609 HydrophobicContact CB-CD1 4.42Å; C605-I609 WeakPolarHBondContact O-CG1 3.39Å; C605-I609 PolarHBondContact O-N 2.82Å
606N90.3Very high83.6Confident73 Ų7370.7 Ų70.739%0.3937%0.372SS..Hα-helixtrans-61.3-45.6-171.2-71-15.7000113.7Y547 E602 I608 S610Y547-N606 PolarHBondContact OH-OD1 2.89Å; E602-N606 WeakPolarHBondContact O-CB 3.35Å; E602-N606 PolarHBondContact O-N 2.79Å; E602-N606 PolarHBondContact O-ND2 3.46Å; N606-I608 VanDerWaalsContact C-N 3.3Å; N606-I608 PolarHBondContact O-N 2.94Å; N606-S610 VanDerWaalsContact O-CB 3.22Å; N606-S610 WeakPolarHBondContact O-CB 3.46Å; N606-S610 PolarHBondContact O-N 2.93Å; N606-S610 PolarHBondContact O-OG 3.37Å
607P90.4Very high80.7Confident68 Ų6876.5 Ų76.544%0.44239%0.39SS..Hα-helixtrans-63.7-35.4178.4-2334.8000113K603 K611K603-P607 WeakPolarHBondContact O-CD 3.36Å; K603-P607 VanDerWaalsContact O-CG 3.31Å; K603-P607 WeakPolarHBondContact O-CG 3.11Å; P607-K611 WeakPolarHBondContact O-CG 3.03Å; P607-K611 PolarHBondContact O-N 3.45Å
608I85.6Confident77.9Confident15 Ų1580.8 Ų80.88%0.07742%0.42CS..Hα-helixtrans-72.4-47.3-178.3-67.1172.3000110.1I564 D568 K571 V572 V604 C605 N606 S610 K611 L612I564-I608 HydrophobicContact CD1-CG2 3.72Å; I564-I608 HydrophobicContact CG1-CG2 4.3Å; D568-I608 HydrophobicContact CB-CD1 4.05Å; D568-I608 HydrophobicContact CB-CG1 4.22Å; D568-I608 HydrophobicContact CB-CG2 3.8Å; K571-I608 HydrophobicContact CB-CD1 4.44Å; V572-I608 HydrophobicContact CG2-CB 4.32Å; V572-I608 HydrophobicContact CG2-CD1 3.6Å; V572-I608 HydrophobicContact CG2-CG2 4.11Å; V604-I608 HydrophobicContact CG1-CD1 4.49Å; V604-I608 WeakPolarHBondContact O-CD1 3.38Å; C605-I608 PolarHBondContact O-N 3.14Å; N606-I608 VanDerWaalsContact C-N 3.3Å; N606-I608 PolarHBondContact O-N 2.94Å; I608-S610 PolarHBondContact O-N 3.16Å; I608-K611 PolarHBondContact O-N 2.94Å; I608-L612 PolarHBondContact O-N 3.35Å
609I82Confident75.1Confident44 Ų4486.4 Ų86.423%0.22646%0.457CS..Hα-helixtrans-63.2-42.5175.8-64.9169.8000111.2M551 C605 K611 L612 Y613M551-I609 HydrophobicContact CE-CD1 3.23Å; M551-I609 HydrophobicContact CE-CG1 3.82Å; M551-I609 HydrophobicContact SD-CD1 3.24Å; M551-I609 WeakPolarHBondContact SD-CD1 3.09Å; M551-I609 HydrophobicContact SD-CG1 4.42Å; C605-I609 HydrophobicContact CB-CD1 4.42Å; C605-I609 WeakPolarHBondContact O-CG1 3.39Å; C605-I609 PolarHBondContact O-N 2.82Å; I609-K611 VanDerWaalsContact C-N 3.3Å; I609-K611 PolarHBondContact O-N 3.32Å; I609-L612 WeakPolarHBondContact O-CA 3.47Å; I609-L612 VanDerWaalsContact O-CB 3.24Å; I609-L612 WeakPolarHBondContact O-CB 3.32Å; I609-L612 PolarHBondContact O-N 3.13Å; I609-Y613 HydrophobicContact CG2-CD2 3.48Å; I609-Y613 VanDerWaalsContact CG2-CD2 3.48Å; I609-Y613 HydrophobicContact CG2-CE2 3.41Å; I609-Y613 VanDerWaalsContact CG2-CE2 3.41Å; I609-Y613 WeakPolarHBondContact O-CD2 3.43Å; I609-Y613 PolarHBondContact O-N 3.25Å
610S83.7Confident72Confident58 Ų5884.1 Ų84.141%0.40647%0.468SS..Hα-helixtrans-60.9-39.4-179.3-61.90000112N606 I608 L612 Y613 Q614N606-S610 VanDerWaalsContact O-CB 3.22Å; N606-S610 WeakPolarHBondContact O-CB 3.46Å; N606-S610 PolarHBondContact O-N 2.93Å; N606-S610 PolarHBondContact O-OG 3.37Å; I608-S610 PolarHBondContact O-N 3.16Å; S610-L612 VanDerWaalsContact C-N 3.29Å; S610-L612 PolarHBondContact O-N 2.67Å; S610-Y613 PolarHBondContact O-N 2.86Å; S610-Q614 WeakPolarHBondContact O-CB 3.34Å; S610-Q614 WeakPolarHBondContact O-CG 3.49Å; S610-Q614 PolarHBondContact O-N 3.29Å
611K80.8Confident68.9Low134 Ų13487 Ų8758%0.58349%0.494SS*.Hα-helixtrans-62.2-38.1172.6-75.5175-177.3178.50112.1P607 I608 I609 Q614 G615P607-K611 WeakPolarHBondContact O-CG 3.03Å; P607-K611 PolarHBondContact O-N 3.45Å; I608-K611 PolarHBondContact O-N 2.94Å; I609-K611 VanDerWaalsContact C-N 3.3Å; I609-K611 PolarHBondContact O-N 3.32Å; K611-Q614 PolarHBondContact O-N 2.71Å; K611-G615 PolarHBondContact O-N 3.44Å
612L72.7Confident65.8Low35 Ų3592.6 Ų92.618%0.18353%0.532CS..Hα-helixtrans-66.3-40.7-179-146.7153.3000111.6L560 K563 I564 I608 I609 S610L560-L612 HydrophobicContact CD1-CD1 4.36Å; L560-L612 HydrophobicContact CD2-CD2 3.89Å; K563-L612 HydrophobicContact CB-CD2 4.24Å; I564-L612 HydrophobicContact CB-CD1 3.72Å; I564-L612 HydrophobicContact CD1-CD1 4.01Å; I564-L612 HydrophobicContact CG1-CD1 4.07Å; I608-L612 PolarHBondContact O-N 3.35Å; I609-L612 WeakPolarHBondContact O-CA 3.47Å; I609-L612 VanDerWaalsContact O-CB 3.24Å; I609-L612 WeakPolarHBondContact O-CB 3.32Å; I609-L612 PolarHBondContact O-N 3.13Å; S610-L612 VanDerWaalsContact C-N 3.29Å; S610-L612 PolarHBondContact O-N 2.67Å
613Y70.1Confident62.7Low185 Ų185101.2 Ų101.273%0.72556%0.562SS**Hα-helixtrans-75-32.6173.7-77.7-77.2000113.5I609 S610 G616I609-Y613 HydrophobicContact CG2-CD2 3.48Å; I609-Y613 VanDerWaalsContact CG2-CD2 3.48Å; I609-Y613 HydrophobicContact CG2-CE2 3.41Å; I609-Y613 VanDerWaalsContact CG2-CE2 3.41Å; I609-Y613 WeakPolarHBondContact O-CD2 3.43Å; I609-Y613 PolarHBondContact O-N 3.25Å; S610-Y613 PolarHBondContact O-N 2.86Å; Y613-G616 PolarHBondContact O-N 3.13Å
614Q63.6Low59.6Low158 Ų158103.6 Ų103.674%0.73858%0.575SS**Hα-helixtrans-72-28.8175.7-76.61792.400113.1S610 K611 G616S610-Q614 WeakPolarHBondContact O-CB 3.34Å; S610-Q614 WeakPolarHBondContact O-CG 3.49Å; S610-Q614 PolarHBondContact O-N 3.29Å; K611-Q614 PolarHBondContact O-N 2.71Å; Q614-G616 PolarHBondContact O-N 3.06Å
615G53.8Low56.5Low71 Ų71110.8 Ų110.873%0.73261%0.605SS**THydrogen-bonded Turntrans-75.3-4173.900000115.1K611K611-G615 PolarHBondContact O-N 3.44Å
616G43.5Very low53.6Low57 Ų57115.9 Ų115.959%0.58865%0.647SS**THydrogen-bonded Turntrans-98.34.4-175.300000116.4Y613 Q614 P618Y613-G616 PolarHBondContact O-N 3.13Å; Q614-G616 PolarHBondContact O-N 3.06Å; G616-P618 WeakPolarHBondContact O-CD 3.4Å
617R33.8Very low50.6Low225 Ų225116 Ų11685%0.84967%0.666SS**  trans-82.8118.9174.4-91.3-174.9173.8-179.5-1.2110.9T619R617-T619 PolarHBondContact O-N 2.98Å
618P36.3Very low47.6Very low124 Ų124117.9 Ų117.981%0.80569%0.687SS**  trans-67.8122.2165.2-7.223.5000108.6G616 G620G616-P618 WeakPolarHBondContact O-CD 3.4Å; P618-G620 PolarHBondContact O-N 2.88Å; P618-G620 VanDerWaalsContact O-N 3.11Å
619T34.6Very low45.1Very low152 Ų152126.3 Ų126.393%0.93373%0.726SS**  trans-70.995.6164.232.60000109R617R617-T619 PolarHBondContact O-N 2.98Å
620G29.6Very low42.5Very low71 Ų71129.5 Ų129.573%0.73275%0.752SS**  trans-128.999.2169.700000110.6P618P618-G620 PolarHBondContact O-N 2.88Å; P618-G620 VanDerWaalsContact O-N 3.11Å
621S31.9Very low40Very low118 Ų118135.9 Ų135.983%0.82578%0.776SS**  trans-68.7132.9167.4167.50000110.3
622C27.6Very low37.7Very low117 Ų117132.7 Ų132.779%0.79178%0.78SS**  -178.3121.2126.7-98.60000113.4
623R29.5Very low36Very low237 Ų237137.3 Ų137.389%0.89481%0.813SS**  trans70124.4139.5-110175.8174.9170.4-2.5122.7
624E29.6Very low34.5Very low185 Ų185135 Ų13586%0.86482%0.818SS**  trans-35133.6151.7-75.7169.2128.400115
625Q26.9Very low33.1Very low199 Ų199134.2 Ų134.293%0.9382%0.824SS**  -153.7132.2125.7-118.3175.713.600110.8
626A29Very low32.2Very low107 Ų107139.3 Ų139.388%0.88483%0.829SS**  trans-79.7147.717800000111.9
627G27.8Very low31.9Very low76 Ų76145.7 Ų145.778%0.78484%0.843SS**  trans129.412814700000117.7
628A27.8Very low32.3Very low107 Ų107141.2 Ų141.288%0.88484%0.84SS**  trans103.5122.1147.400000119.9
629H32.5Very low32.5Very low193 Ų193146.5 Ų146.589%0.89486%0.862SS**  trans-48.3146.4163.9-77.7-75.1000114.4
630S28.5Very low32.4Very low111 Ų111146.3 Ų146.378%0.77686%0.858SS**  175.9140.3119.348.80000113.6
631Q31.1Very low32.5Very low192 Ų192150.2 Ų150.290%0.89787%0.865SS**  trans35.1127.8146.3-68.9173.8-15.800121.7
632G32.4Very low32.6Very low66 Ų66152 Ų15268%0.6887%0.867SS**PPolyproline II helixtrans-73169.1168.500000113.8
633P37Very low32.9Very low132 Ų132154.1 Ų154.186%0.85787%0.872SS**PPolyproline II helixtrans-84.9135.6-166.433-33.7000113.1
634T36.9Very low33.1Very low137 Ų137148.9 Ų148.984%0.8487%0.87SS**PPolyproline II helixtrans-76.1146.5162.119.60000111
635V34.5Very low33.3Very low141 Ų141146.5 Ų146.586%0.85587%0.871SS**PPolyproline II helixtrans-87.5125.8172.81760000108.4
636E35.1Very low33.8Very low179 Ų179142.7 Ų142.784%0.83687%0.867SS**PPolyproline II helixtrans-95.2125.6166.6-80.1-177158.400109.4
637E37.5Very low34.1Very low190 Ų190145.5 Ų145.589%0.88887%0.865SS**PPolyproline II helixtrans-68.2142.4162.5-70.8177.6150.300109.6
638V42.4Very low34.7Very low131 Ų131151.3 Ų151.379%0.79487%0.872SS**  trans-133116.4165.9-1620000108
639D40.2Very low35.3Very low236 Ų236155.3 Ų155.3100%1.26287%0.871SS**  trans9.80166.6-65.5-30.4000121.1

Retrieved 639 of 639 residues in 1684.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).