A0A096N8C1_PAPAN Loading...

RCC1 and BTB domain-containing protein 1

May be involved in cell cycle regulation by chromatin remodeling.

AlphaFold DB (G7PVF0), UniProt , Accession A0A096N8C1, Species PAPAN (Papio anubis, Olive baboon), Gene RCBTB1, Length 531 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
1M59.4Low85.5Confident122 Ų12248.7 Ų48.760%0.60128%0.28SS*.  0142.40-168.1176.4-79.700107.6D3 E349 E351M1-D3 PolarHBondContact O-N 2.68Å; M1-E349 WeakPolarHBondContact CE-O 3.48Å; M1-E351 HydrophobicContact CE-CB 3.74Å; M1-E351 HydrophobicContact CE-CG 3.76Å
2V73.5Confident85.9Confident21 Ų2152.3 Ų52.313%0.12730%0.297CS..  trans-76.8121.7-179.3178.60000108.5C328 D330 L346V2-C328 HydrophobicContact CG2-CB 4.44Å; V2-D330 HydrophobicContact CG1-CB 4.33Å; V2-L346 HydrophobicContact CG1-CB 4.47Å; V2-L346 HydrophobicContact CG1-CD1 4.39Å; V2-L346 HydrophobicContact CG1-CD2 4.16Å
3D81.8Confident86.5Confident82 Ų8249.3 Ų49.344%0.43928%0.279SS..  trans-102.7109.3176.4175.511.1000109.5M1 G5 K6M1-D3 PolarHBondContact O-N 2.68Å; D3-G5 PolarHBondContact O-N 3.32Å; D3-G5 WeakPolarHBondContact OD1-CA 3.39Å; D3-G5 PolarHBondContact OD1-N 3.27Å; D3-K6 HydrophobicContact CB-CG 4.43Å; D3-K6 PolarHBondContact O-N 3.06Å
4V87.6Confident86.9Confident4 Ų448.5 Ų48.52%0.02428%0.278CS..G310 helixtrans-63.9-22.5177.5-68.40000112.3K6 W7 F10 I18 I21 A24 V348V4-K6 PolarHBondContact O-N 3.09Å; V4-K6 VanDerWaalsContact O-N 3.13Å; V4-W7 PolarHBondContact O-N 2.85Å; V4-F10 HydrophobicContact CB-CD2 3.82Å; V4-F10 HydrophobicContact CB-CE2 4.28Å; V4-F10 HydrophobicContact CB-CG 4.3Å; V4-F10 HydrophobicContact CG1-CE2 4.5Å; V4-F10 WeakPolarHBondContact O-CD2 3.33Å; V4-I18 HydrophobicContact CG2-CG2 3.85Å; V4-I21 HydrophobicContact CG1-CG2 4.39Å; V4-I21 HydrophobicContact CG2-CD1 4.36Å; V4-A24 HydrophobicContact CG1-CB 3.87Å; V4-V348 HydrophobicContact CG1-CG2 3.5Å; V4-V348 VanDerWaalsContact CG1-CG2 3.5Å
5G84.5Confident87Confident29 Ų2952.3 Ų52.330%0.29931%0.305SS..G310 helixtrans-62.7-17.2176.600000114.2D3 W7D3-G5 PolarHBondContact O-N 3.32Å; D3-G5 WeakPolarHBondContact OD1-CA 3.39Å; D3-G5 PolarHBondContact OD1-N 3.27Å; G5-W7 PolarHBondContact O-N 2.86Å
6K88.6Confident87.1Confident68 Ų6858.4 Ų58.430%0.29633%0.33SS..G310 helixtrans-72.1-17.3172.8-67.7-170-172.8175.20113.9D3 V4 P8 D331 A334D3-K6 HydrophobicContact CB-CG 4.43Å; D3-K6 PolarHBondContact O-N 3.06Å; V4-K6 PolarHBondContact O-N 3.09Å; V4-K6 VanDerWaalsContact O-N 3.13Å; K6-P8 WeakPolarHBondContact O-CD 3.3Å; K6-D331 HydrophobicContact CD-CB 4.25Å; K6-D331 VanDerWaalsContact CD-OD1 3.25Å; K6-D331 WeakPolarHBondContact CD-OD1 2.89Å; K6-D331 IonicContact NZ-OD1 3.9Å; K6-D331 PolarHBondContact NZ-OD1 3.25Å; K6-D331 VanDerWaalsContact NZ-OD1 3.13Å; K6-D331 IonicContact NZ-OD2 2.65Å; K6-D331 PolarHBondContact NZ-OD2 3.45Å; K6-A334 HydrophobicContact CB-CB 4.08Å
7W93.3Very high87.3Confident2 Ų258.9 Ų58.91%0.00833%0.329CS..SBendtrans-88.6117.5172-55.381.3000108.7V4 G5 I9 F10 V26 F333 A334 A340 V341 S342 L346V4-W7 PolarHBondContact O-N 2.85Å; G5-W7 PolarHBondContact O-N 2.86Å; W7-I9 HydrophobicContact CB-CG2 4.35Å; W7-I9 PolarHBondContact O-N 2.77Å; W7-F10 HydrophobicContact CB-CD2 3.82Å; W7-F10 HydrophobicContact CB-CE2 4.33Å; W7-F10 HydrophobicContact CG-CD2 4.33Å; W7-F10 PolarHBondContact O-N 3.16Å; W7-V26 HydrophobicContact CB-CG2 3.88Å; W7-V26 HydrophobicContact CD2-CB 4.07Å; W7-V26 HydrophobicContact CD2-CG2 3.72Å; W7-V26 HydrophobicContact CE3-CB 3.51Å; W7-V26 HydrophobicContact CE3-CG1 3.81Å; W7-V26 HydrophobicContact CE3-CG2 3.66Å; W7-V26 HydrophobicContact CG-CG2 3.82Å; W7-V26 HydrophobicContact CZ3-CB 3.92Å; W7-V26 HydrophobicContact CZ3-CG1 4.3Å; W7-V26 HydrophobicContact CZ3-CG2 4.48Å; W7-F333 HydrophobicContact CH2-CB 3.97Å; W7-A334 HydrophobicContact CD2-CB 3.72Å; W7-A334 HydrophobicContact CE3-CB 4.14Å; W7-A334 HydrophobicContact CG-CB 4.15Å; W7-A334 HydrophobicContact CH2-CB 4.13Å; W7-A334 HydrophobicContact CZ2-CB 3.75Å; W7-A334 HydrophobicContact CZ3-CB 4.32Å; W7-A340 VanDerWaalsContact CZ3-C 3.44Å; W7-A340 WeakPolarHBondContact CZ3-O 3.41Å; W7-V341 WeakPolarHBondContact CH2-O 3.23Å; W7-S342 VanDerWaalsContact CH2-CA 3.49Å; W7-S342 VanDerWaalsContact CH2-N 3.33Å; W7-S342 WeakPolarHBondContact CH2-OG 3.44Å; W7-S342 WeakPolarHBondContact CZ2-OG 3.37Å; W7-L346 HydrophobicContact CZ2-CD1 4.36Å
8P91.9Very high87.6Confident92 Ų9258.2 Ų58.260%0.59732%0.324SS*.G310 helixtrans-56.1-27.6-173.9-28.335.7000114.5K6 F10 T11K6-P8 WeakPolarHBondContact O-CD 3.3Å; P8-F10 VanDerWaalsContact C-N 3.3Å; P8-F10 PolarHBondContact O-N 3Å; P8-T11 PolarHBondContact O-N 3.03Å; P8-T11 PolarHBondContact O-OG1 3.01Å
9I93.5Very high87.6Confident19 Ų1958.1 Ų58.110%0.09733%0.331CS..G310 helixtrans-63.1-34.7178.6-167.7156.5000112.4W7 T11 L12 V26 S32 A34 F46W7-I9 HydrophobicContact CB-CG2 4.35Å; W7-I9 PolarHBondContact O-N 2.77Å; I9-T11 VanDerWaalsContact C-N 3.27Å; I9-T11 PolarHBondContact O-N 2.8Å; I9-L12 PolarHBondContact O-N 3.44Å; I9-V26 HydrophobicContact CG2-CG1 4.1Å; I9-V26 HydrophobicContact CG2-CG2 3.67Å; I9-S32 VanDerWaalsContact CD1-C 3.42Å; I9-S32 WeakPolarHBondContact CD1-O 3.22Å; I9-A34 HydrophobicContact CD1-CB 3.76Å; I9-A34 HydrophobicContact CG1-CB 4.07Å; I9-A34 HydrophobicContact CG2-CB 3.94Å; I9-F46 HydrophobicContact CD1-CE2 4.35Å; I9-F46 HydrophobicContact CG1-CD2 4.07Å; I9-F46 HydrophobicContact CG1-CE2 3.48Å; I9-F46 VanDerWaalsContact CG1-CE2 3.48Å; I9-F46 HydrophobicContact CG1-CZ 3.86Å; I9-F46 WeakPolarHBondContact O-CE2 3.4Å
10F94.6Very high87.9Confident0 Ų056.9 Ų56.90%033%0.327CS..G310 helixtrans-77.1-9.8-179.9-68.2-60.1000113.7V4 W7 P8 L12 L13 I21 A24 V26 A34 Y36 F46V4-F10 HydrophobicContact CB-CD2 3.82Å; V4-F10 HydrophobicContact CB-CE2 4.28Å; V4-F10 HydrophobicContact CB-CG 4.3Å; V4-F10 HydrophobicContact CG1-CE2 4.5Å; V4-F10 WeakPolarHBondContact O-CD2 3.33Å; W7-F10 HydrophobicContact CB-CD2 3.82Å; W7-F10 HydrophobicContact CB-CE2 4.33Å; W7-F10 HydrophobicContact CG-CD2 4.33Å; W7-F10 PolarHBondContact O-N 3.16Å; P8-F10 VanDerWaalsContact C-N 3.3Å; P8-F10 PolarHBondContact O-N 3Å; F10-L12 PolarHBondContact O-N 2.89Å; F10-L12 VanDerWaalsContact O-N 3.1Å; F10-L13 HydrophobicContact CD1-CD1 3.73Å; F10-L13 HydrophobicContact CD1-CG 4.48Å; F10-L13 HydrophobicContact CE1-CD1 4.46Å; F10-L13 WeakPolarHBondContact O-CB 3.38Å; F10-L13 PolarHBondContact O-N 2.96Å; F10-L13 VanDerWaalsContact O-N 3.09Å; F10-I21 HydrophobicContact CD1-CD1 4.11Å; F10-I21 HydrophobicContact CE1-CD1 4.23Å; F10-A24 HydrophobicContact CE2-CB 3.92Å; F10-A24 HydrophobicContact CZ-CB 3.67Å; F10-V26 HydrophobicContact CD2-CG2 4.25Å; F10-V26 HydrophobicContact CE2-CG2 3.51Å; F10-V26 HydrophobicContact CZ-CG2 4.12Å; F10-A34 HydrophobicContact CE1-CB 4.06Å; F10-A34 HydrophobicContact CZ-CB 4Å; F10-Y36 AromaticContact CE1-CD1 4Å; F10-Y36 HydrophobicContact CE1-CD1 4Å; F10-Y36 HydrophobicContact CE1-CG 4.41Å; F10-F46 HydrophobicContact CD1-CE1 4.05Å; F10-F46 AromaticContact CD1-CZ 3.75Å; F10-F46 HydrophobicContact CD1-CZ 3.75Å; F10-F46 AromaticContact CE1-CE1 3.88Å; F10-F46 HydrophobicContact CE1-CE1 3.88Å; F10-F46 HydrophobicContact CE1-CZ 4.03Å
11T91.6Very high88.2Confident97 Ų9754.1 Ų54.160%0.59531%0.311SS*.G310 helixtrans-68.7-7.9174.8720000112.8P8 I9 L13P8-T11 PolarHBondContact O-N 3.03Å; P8-T11 PolarHBondContact O-OG1 3.01Å; I9-T11 VanDerWaalsContact C-N 3.27Å; I9-T11 PolarHBondContact O-N 2.8Å; T11-L13 VanDerWaalsContact C-N 3.3Å
12L90.7Very high89.8Confident92 Ų9252.9 Ų52.948%0.48230%0.299SS..G310 helixtrans-79.8-13.7174.4-62.3173.4000112.8I9 F10 F46 L63I9-L12 PolarHBondContact O-N 3.44Å; F10-L12 PolarHBondContact O-N 2.89Å; F10-L12 VanDerWaalsContact O-N 3.1Å; L12-F46 HydrophobicContact CB-CE2 4.33Å; L12-F46 HydrophobicContact CD1-CD2 4.38Å; L12-F46 HydrophobicContact CD1-CE2 4.11Å; L12-L63 HydrophobicContact CD1-CB 4.26Å; L12-L63 HydrophobicContact CD1-CD2 3.84Å
13L93.6Very high90.8Very high13 Ų1352.9 Ų52.97%0.06830%0.298CS..SBendtrans-90149.4-178.1-56.1-171.6000111.4F10 T11 E17 I18 I21 Y36 F46 P65F10-L13 HydrophobicContact CD1-CD1 3.73Å; F10-L13 HydrophobicContact CD1-CG 4.48Å; F10-L13 HydrophobicContact CE1-CD1 4.46Å; F10-L13 WeakPolarHBondContact O-CB 3.38Å; F10-L13 PolarHBondContact O-N 2.96Å; F10-L13 VanDerWaalsContact O-N 3.09Å; T11-L13 VanDerWaalsContact C-N 3.3Å; L13-E17 HydrophobicContact CB-CB 4.05Å; L13-I18 HydrophobicContact CB-CD1 4.34Å; L13-I18 HydrophobicContact CB-CG1 3.77Å; L13-I21 HydrophobicContact CD1-CD1 3.69Å; L13-Y36 HydrophobicContact CD1-CE1 4.02Å; L13-F46 HydrophobicContact CD1-CE1 4.49Å; L13-F46 HydrophobicContact CD1-CZ 4.33Å; L13-F46 HydrophobicContact CD2-CE1 4.38Å; L13-F46 HydrophobicContact CD2-CE2 4.4Å; L13-F46 HydrophobicContact CD2-CZ 4.08Å; L13-F46 HydrophobicContact CG-CZ 4.2Å; L13-P65 HydrophobicContact CD2-CG 3.27Å
14S91.7Very high91.6Very high38 Ų3849 Ų4927%0.26628%0.277SS..  trans-67.3158170.664.70000111.5Q16 E17 I18S14-Q16 PolarHBondContact O-N 2.95Å; S14-E17 WeakPolarHBondContact CB-OE2 3.15Å; S14-E17 PolarHBondContact N-OE2 3.34Å; S14-E17 PolarHBondContact O-N 3.36Å; S14-E17 VanDerWaalsContact O-N 3.12Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.49Å; S14-E17 PolarHBondContact OG-N 2.93Å; S14-E17 PolarHBondContact OG-OE2 3.06Å; S14-I18 WeakPolarHBondContact O-CG1 3.27Å; S14-I18 PolarHBondContact O-N 3.04Å
15P88.7Confident92Very high105 Ų10548.8 Ų48.868%0.68228%0.276SS*.Hα-helixtrans-56.9-32.7174.7-26.335.5000113.7A19P15-A19 VanDerWaalsContact O-CB 3.26Å; P15-A19 WeakPolarHBondContact O-CB 3.01Å; P15-A19 PolarHBondContact O-N 2.83Å
16Q88.4Confident92.6Very high151 Ų15147.5 Ų47.571%0.70626%0.262SS*.Hα-helixtrans-69.1-41.2176.3-65.7103-3.500112.2S14 A19 S20S14-Q16 PolarHBondContact O-N 2.95Å; Q16-A19 PolarHBondContact O-N 2.92Å; Q16-S20 PolarHBondContact O-N 2.96Å
17E91.4Very high93Very high67 Ų6744.4 Ų44.431%0.31325%0.249SC..Hα-helixtrans-66.3-43.2175.7-73.3165.5120.900111.1L13 S14 A19 S20 I21L13-E17 HydrophobicContact CB-CB 4.05Å; S14-E17 WeakPolarHBondContact CB-OE2 3.15Å; S14-E17 PolarHBondContact N-OE2 3.34Å; S14-E17 PolarHBondContact O-N 3.36Å; S14-E17 VanDerWaalsContact O-N 3.12Å; S14-E17 VanDerWaalsContact OG-CG 3.3Å; S14-E17 WeakPolarHBondContact OG-CG 3.49Å; S14-E17 PolarHBondContact OG-N 2.93Å; S14-E17 PolarHBondContact OG-OE2 3.06Å; E17-A19 PolarHBondContact O-N 3.08Å; E17-S20 PolarHBondContact O-N 2.75Å; E17-S20 VanDerWaalsContact O-N 3.14Å; E17-S20 PolarHBondContact O-OG 2.75Å; E17-I21 WeakPolarHBondContact O-CG1 3.27Å
18I91.6Very high92.9Very high45 Ų4544.7 Ų44.723%0.23125%0.252CS..Hα-helixtrans-59.7-40.4176.5-67.5173.7000110.8V4 L13 S14 S20 I21V4-I18 HydrophobicContact CG2-CG2 3.85Å; L13-I18 HydrophobicContact CB-CD1 4.34Å; L13-I18 HydrophobicContact CB-CG1 3.77Å; S14-I18 WeakPolarHBondContact O-CG1 3.27Å; S14-I18 PolarHBondContact O-N 3.04Å; I18-S20 PolarHBondContact O-N 3.27Å; I18-I21 PolarHBondContact O-N 3.24Å
19A88.8Confident92.7Very high56 Ų5644.1 Ų44.146%0.46325%0.247SC..THydrogen-bonded Turntrans-71-12.418000000114.4P15 Q16 E17 H350P15-A19 VanDerWaalsContact O-CB 3.26Å; P15-A19 WeakPolarHBondContact O-CB 3.01Å; P15-A19 PolarHBondContact O-N 2.83Å; Q16-A19 PolarHBondContact O-N 2.92Å; E17-A19 PolarHBondContact O-N 3.08Å; A19-H350 PolarHBondContact O-CD2 2.91Å; A19-H350 PolarHBondContact O-NE2 3.48Å; A19-H350 VanDerWaalsContact O-NE2 3.12Å
20S92.1Very high92.4Very high34 Ų3447.2 Ų47.224%0.23827%0.271CS..THydrogen-bonded Turntrans-95.6-6.8174.572.60000113.1Q16 E17 I18 R22 T38 D39Q16-S20 PolarHBondContact O-N 2.96Å; E17-S20 PolarHBondContact O-N 2.75Å; E17-S20 VanDerWaalsContact O-N 3.14Å; E17-S20 PolarHBondContact O-OG 2.75Å; I18-S20 PolarHBondContact O-N 3.27Å; S20-R22 PolarHBondContact O-N 3.31Å; S20-T38 CarbonylContact O-C 3.54Å; S20-T38 WeakPolarHBondContact O-CA 3.38Å; S20-D39 PolarHBondContact O-N 2.98Å
21I94.4Very high92.3Very high0 Ų048.3 Ų48.30%028%0.28CS..EExtended strand (participates in β ladder)trans-76114.1-176.1-65.2175.4000110.1V4 F10 L13 E17 I18 K23 A24 Y36 V348 H350V4-I21 HydrophobicContact CG1-CG2 4.39Å; V4-I21 HydrophobicContact CG2-CD1 4.36Å; F10-I21 HydrophobicContact CD1-CD1 4.11Å; F10-I21 HydrophobicContact CE1-CD1 4.23Å; L13-I21 HydrophobicContact CD1-CD1 3.69Å; E17-I21 WeakPolarHBondContact O-CG1 3.27Å; I18-I21 PolarHBondContact O-N 3.24Å; I21-K23 WeakPolarHBondContact CG2-O 3.21Å; I21-A24 HydrophobicContact CG2-CB 3.98Å; I21-Y36 HydrophobicContact CD1-CD2 4.13Å; I21-Y36 HydrophobicContact CD1-CG 4.12Å; I21-Y36 HydrophobicContact CG1-CD2 3.66Å; I21-Y36 HydrophobicContact CG1-CE2 4.16Å; I21-Y36 HydrophobicContact CG1-CG 4.09Å; I21-V348 HydrophobicContact CG2-CG2 4.13Å; I21-V348 WeakPolarHBondContact O-CB 3.22Å; I21-V348 WeakPolarHBondContact O-CG1 3.46Å; I21-H350 PolarHBondContact O-NE2 3.27Å
22R93.1Very high92.4Very high95 Ų9545 Ų4536%0.35826%0.26SS..EExtended strand (participates in β ladder)trans-96.1-33.7173-167-85.2179.2-1364.4112.4S20 V37 S347 V348S20-R22 PolarHBondContact O-N 3.31Å; R22-V37 PolarHBondContact N-O 3.39Å; R22-S347 PolarHBondContact NH1-OG 2.58Å; R22-V348 PolarHBondContact O-N 3.43Å
23K95.8Very high92.6Very high21 Ų2140.7 Ų40.79%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-132.3144.8175.4-60.8173.1179.5158.10110.9I21 Y36 V37 I76 L345 L346I21-K23 WeakPolarHBondContact CG2-O 3.21Å; K23-Y36 CarbonylContact O-C 3.48Å; K23-Y36 WeakPolarHBondContact O-CA 3.49Å; K23-Y36 WeakPolarHBondContact O-CB 3.31Å; K23-V37 HydrophobicContact CB-CB 4.05Å; K23-V37 HydrophobicContact CB-CG2 4.11Å; K23-V37 PolarHBondContact N-O 3.25Å; K23-V37 VanDerWaalsContact N-O 3.16Å; K23-V37 PolarHBondContact O-N 3.02Å; K23-I76 PolarHBondContact NZ-O 2.88Å; K23-L345 HydrophobicContact CB-CD1 4.05Å; K23-L345 HydrophobicContact CB-CG 4.24Å; K23-L345 HydrophobicContact CD-CD2 3.97Å; K23-L345 HydrophobicContact CD-CG 4.46Å; K23-L346 WeakPolarHBondContact CA-O 3.02Å; K23-L346 WeakPolarHBondContact CB-O 3.49Å
24A97.1Very high92.8Very high0 Ų040 Ų400%023%0.234CC..EExtended strand (participates in β ladder)trans-146.7148.9179.200000111.7V4 F10 I21 L35 L346V4-A24 HydrophobicContact CG1-CB 3.87Å; F10-A24 HydrophobicContact CE2-CB 3.92Å; F10-A24 HydrophobicContact CZ-CB 3.67Å; I21-A24 HydrophobicContact CG2-CB 3.98Å; A24-L35 CarbonylContact C-O 3.57Å; A24-L35 WeakPolarHBondContact CA-O 3.26Å; A24-L346 HydrophobicContact CB-CB 4.37Å; A24-L346 HydrophobicContact CB-CD1 4.18Å; A24-L346 PolarHBondContact N-O 2.82Å; A24-L346 WeakPolarHBondContact O-CB 3.32Å; A24-L346 VanDerWaalsContact O-CG 3.32Å; A24-L346 WeakPolarHBondContact O-CG 3.38Å; A24-L346 PolarHBondContact O-N 2.87Å
25C97.3Very high93Very high0 Ų038.2 Ų38.20%022%0.222CC..EExtended strand (participates in β ladder)trans-144.4125.9171.6-173.60000109.1A34 L35 L79 Y81 L345C25-A34 WeakPolarHBondContact O-CA 3.32Å; C25-L35 PolarHBondContact N-O 3.4Å; C25-L35 PolarHBondContact O-N 3.12Å; C25-L79 HydrophobicContact CB-CD1 4.38Å; C25-L79 HydrophobicContact CB-CD2 3.87Å; C25-L79 VanDerWaalsContact SG-CD2 3.5Å; C25-Y81 VanDerWaalsContact SG-CE1 3.57Å; C25-L345 HydrophobicContact CB-CD1 4.1Å
26V97Very high93.4Very high2 Ų233.4 Ų33.41%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-104.5128.2170.4-178.30000108.5W7 I9 F10 A31 E33 V341 S342W7-V26 HydrophobicContact CB-CG2 3.88Å; W7-V26 HydrophobicContact CD2-CB 4.07Å; W7-V26 HydrophobicContact CD2-CG2 3.72Å; W7-V26 HydrophobicContact CE3-CB 3.51Å; W7-V26 HydrophobicContact CE3-CG1 3.81Å; W7-V26 HydrophobicContact CE3-CG2 3.66Å; W7-V26 HydrophobicContact CG-CG2 3.82Å; W7-V26 HydrophobicContact CZ3-CB 3.92Å; W7-V26 HydrophobicContact CZ3-CG1 4.3Å; W7-V26 HydrophobicContact CZ3-CG2 4.48Å; I9-V26 HydrophobicContact CG2-CG1 4.1Å; I9-V26 HydrophobicContact CG2-CG2 3.67Å; F10-V26 HydrophobicContact CD2-CG2 4.25Å; F10-V26 HydrophobicContact CE2-CG2 3.51Å; F10-V26 HydrophobicContact CZ-CG2 4.12Å; V26-A31 HydrophobicContact CG1-CB 4.4Å; V26-E33 CarbonylContact C-O 3.47Å; V26-E33 WeakPolarHBondContact CA-O 3.38Å; V26-V341 CarbonylContact O-C 3.58Å; V26-V341 WeakPolarHBondContact O-CA 3.22Å; V26-V341 WeakPolarHBondContact O-CB 3.47Å; V26-S342 PolarHBondContact N-OG 2.97Å; V26-S342 PolarHBondContact O-N 2.88Å; V26-S342 PolarHBondContact O-OG 3.42Å
27F95.8Very high93.9Very high3 Ų326.4 Ų26.41%0.01316%0.157CC..EExtended strand (participates in β ladder)trans-144.8-170.9-173.461.1-87000111.6A31 S32 E33 L35 C53 Y81 V87F27-A31 CarbonylContact O-C 3.35Å; F27-A31 WeakPolarHBondContact O-CA 3.28Å; F27-S32 PolarHBondContact O-N 3.27Å; F27-E33 HydrophobicContact CD1-CB 4.33Å; F27-E33 HydrophobicContact CD2-CB 3.63Å; F27-E33 HydrophobicContact CD2-CG 4.37Å; F27-E33 VanDerWaalsContact CD2-OE2 3.24Å; F27-E33 WeakPolarHBondContact CD2-OE2 3.31Å; F27-E33 HydrophobicContact CE1-CB 4.2Å; F27-E33 HydrophobicContact CE2-CB 3.46Å; F27-E33 VanDerWaalsContact CE2-CB 3.46Å; F27-E33 HydrophobicContact CE2-CG 4.08Å; F27-E33 WeakPolarHBondContact CE2-OE2 3.36Å; F27-E33 HydrophobicContact CG-CB 4.06Å; F27-E33 HydrophobicContact CZ-CB 3.77Å; F27-E33 PolarHBondContact N-O 2.8Å; F27-E33 PolarHBondContact O-N 3.07Å; F27-E33 VanDerWaalsContact O-N 3.16Å; F27-L35 HydrophobicContact CE1-CB 3.95Å; F27-C53 HydrophobicContact CE2-CB 3.91Å; F27-Y81 HydrophobicContact CB-CD1 3.43Å; F27-Y81 VanDerWaalsContact CB-CD1 3.43Å; F27-Y81 HydrophobicContact CB-CD2 3.5Å; F27-Y81 VanDerWaalsContact CB-CD2 3.5Å; F27-Y81 HydrophobicContact CB-CE1 3.58Å; F27-Y81 HydrophobicContact CB-CE2 3.64Å; F27-Y81 HydrophobicContact CB-CG 3.38Å; F27-Y81 HydrophobicContact CD2-CG 4.43Å; F27-Y81 HydrophobicContact CG-CD1 4.13Å; F27-Y81 HydrophobicContact CG-CD2 4.46Å; F27-Y81 HydrophobicContact CG-CG 4.03Å; F27-V87 HydrophobicContact CD2-CG2 4.46Å; F27-V87 HydrophobicContact CE2-CG2 3.85Å; F27-V87 HydrophobicContact CZ-CG2 4.1Å
28G92Very high94Very high8 Ų823.6 Ų23.68%0.08215%0.145CC..SBendtrans92.1161.9-17700000113.2S30 A31 E33 V341G28-S30 PolarHBondContact O-N 3.18Å; G28-A31 PolarHBondContact O-N 3.11Å; G28-E33 VanDerWaalsContact CA-CD 3.48Å; G28-E33 WeakPolarHBondContact CA-OE2 3.37Å; G28-E33 PolarHBondContact N-OE2 2.93Å; G28-V341 WeakPolarHBondContact O-CG1 3.34Å
29T87Confident94Very high81 Ų8126 Ų2650%0.49716%0.158SC..THydrogen-bonded Turntrans-63.4-25.6-176.448.60000113.2P339T29-P339 WeakPolarHBondContact O-CB 3.45Å
30S88.5Confident94.1Very high84 Ų8429.7 Ų29.759%0.58717%0.17SC*.THydrogen-bonded Turntrans-113.213.7-179.9-59.80000113.5G28 S32G28-S30 PolarHBondContact O-N 3.18Å; S30-S32 PolarHBondContact O-N 3.38Å
31A91.5Very high94.2Very high23 Ų2330.3 Ų30.319%0.1917%0.171CC..SBendtrans55.738.1-176.200000114V26 F27 G28 P339 A340 V341V26-A31 HydrophobicContact CG1-CB 4.4Å; F27-A31 CarbonylContact O-C 3.35Å; F27-A31 WeakPolarHBondContact O-CA 3.28Å; G28-A31 PolarHBondContact O-N 3.11Å; A31-P339 HydrophobicContact CB-CB 4.32Å; A31-A340 HydrophobicContact CB-CB 4.23Å; A31-A340 WeakPolarHBondContact CB-O 3.36Å; A31-V341 HydrophobicContact CB-CG1 3.88Å
32S93.1Very high94.3Very high26 Ų2633 Ų3318%0.18218%0.184CC..  trans-123.311.8-167.557.90000112.7I9 F27 S30 G47 L48I9-S32 VanDerWaalsContact CD1-C 3.42Å; I9-S32 WeakPolarHBondContact CD1-O 3.22Å; F27-S32 PolarHBondContact O-N 3.27Å; S30-S32 PolarHBondContact O-N 3.38Å; S32-G47 CarbonylContact O-C 3.58Å; S32-G47 WeakPolarHBondContact O-CA 3.19Å; S32-L48 PolarHBondContact O-N 3.36Å; S32-L48 VanDerWaalsContact OG-CD1 3.24Å; S32-L48 WeakPolarHBondContact OG-CD1 3.06Å; S32-L48 WeakPolarHBondContact OG-CG 3.31Å
33E95.7Very high94.5Very high2 Ų228.5 Ų28.51%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-116.6136.2172.1-69.9132.2-134.300108V26 F27 G28 L48 L54V26-E33 CarbonylContact C-O 3.47Å; V26-E33 WeakPolarHBondContact CA-O 3.38Å; F27-E33 HydrophobicContact CD1-CB 4.33Å; F27-E33 HydrophobicContact CD2-CB 3.63Å; F27-E33 HydrophobicContact CD2-CG 4.37Å; F27-E33 VanDerWaalsContact CD2-OE2 3.24Å; F27-E33 WeakPolarHBondContact CD2-OE2 3.31Å; F27-E33 HydrophobicContact CE1-CB 4.2Å; F27-E33 HydrophobicContact CE2-CB 3.46Å; F27-E33 VanDerWaalsContact CE2-CB 3.46Å; F27-E33 HydrophobicContact CE2-CG 4.08Å; F27-E33 WeakPolarHBondContact CE2-OE2 3.36Å; F27-E33 HydrophobicContact CG-CB 4.06Å; F27-E33 HydrophobicContact CZ-CB 3.77Å; F27-E33 PolarHBondContact N-O 2.8Å; F27-E33 PolarHBondContact O-N 3.07Å; F27-E33 VanDerWaalsContact O-N 3.16Å; G28-E33 VanDerWaalsContact CA-CD 3.48Å; G28-E33 WeakPolarHBondContact CA-OE2 3.37Å; G28-E33 PolarHBondContact N-OE2 2.93Å; E33-L48 WeakPolarHBondContact CG-O 3.41Å; E33-L54 HydrophobicContact CB-CD2 4.3Å; E33-L54 HydrophobicContact CG-CD2 4.21Å
34A97Very high94.6Very high0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-131.9141.4176.300000110.6I9 F10 C25 V45 F46I9-A34 HydrophobicContact CD1-CB 3.76Å; I9-A34 HydrophobicContact CG1-CB 4.07Å; I9-A34 HydrophobicContact CG2-CB 3.94Å; F10-A34 HydrophobicContact CE1-CB 4.06Å; F10-A34 HydrophobicContact CZ-CB 4Å; C25-A34 WeakPolarHBondContact O-CA 3.32Å; A34-V45 VanDerWaalsContact O-CA 3.26Å; A34-V45 WeakPolarHBondContact O-CA 3.38Å; A34-F46 HydrophobicContact CB-CD1 4.02Å; A34-F46 HydrophobicContact CB-CE1 3.61Å; A34-F46 HydrophobicContact CB-CZ 4.01Å; A34-F46 PolarHBondContact N-O 3.46Å; A34-F46 PolarHBondContact O-N 3.49Å; A34-F46 VanDerWaalsContact O-N 3.08Å
35L97.4Very high94.7Very high0 Ų029.1 Ų29.10%017%0.169CC..EExtended strand (participates in β ladder)trans-124.2133.6164-177.6153.2000107.8A24 C25 F27 V37 V43 F44 V45 L79 W99A24-L35 CarbonylContact C-O 3.57Å; A24-L35 WeakPolarHBondContact CA-O 3.26Å; C25-L35 PolarHBondContact N-O 3.4Å; C25-L35 PolarHBondContact O-N 3.12Å; F27-L35 HydrophobicContact CE1-CB 3.95Å; L35-V37 HydrophobicContact CD2-CG2 4.18Å; L35-V43 HydrophobicContact CD1-CG1 3.98Å; L35-V43 HydrophobicContact CD2-CG1 4.02Å; L35-V43 HydrophobicContact CG-CG1 3.95Å; L35-F44 CarbonylContact C-O 3.38Å; L35-F44 VanDerWaalsContact CA-O 3.3Å; L35-F44 WeakPolarHBondContact CA-O 3.43Å; L35-V45 HydrophobicContact CB-CG1 4.01Å; L35-V45 HydrophobicContact CD1-CG1 3.91Å; L35-V45 HydrophobicContact CG-CG1 3.94Å; L35-L79 HydrophobicContact CB-CD1 4.45Å; L35-L79 HydrophobicContact CD1-CD1 3.91Å; L35-L79 HydrophobicContact CD2-CD1 3.71Å; L35-L79 HydrophobicContact CG-CD1 4.24Å; L35-W99 HydrophobicContact CD1-CH2 4.27Å; L35-W99 HydrophobicContact CD1-CZ2 4.07Å
36Y97.4Very high94.7Very high4 Ų429.1 Ų29.12%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-134.8156.9171.569.4-92.4000111.8F10 L13 I21 K23 T38 F44 F46 P65F10-Y36 AromaticContact CE1-CD1 4Å; F10-Y36 HydrophobicContact CE1-CD1 4Å; F10-Y36 HydrophobicContact CE1-CG 4.41Å; L13-Y36 HydrophobicContact CD1-CE1 4.02Å; I21-Y36 HydrophobicContact CD1-CD2 4.13Å; I21-Y36 HydrophobicContact CD1-CG 4.12Å; I21-Y36 HydrophobicContact CG1-CD2 3.66Å; I21-Y36 HydrophobicContact CG1-CE2 4.16Å; I21-Y36 HydrophobicContact CG1-CG 4.09Å; K23-Y36 CarbonylContact O-C 3.48Å; K23-Y36 WeakPolarHBondContact O-CA 3.49Å; K23-Y36 WeakPolarHBondContact O-CB 3.31Å; Y36-T38 HydrophobicContact CD2-CG2 4.16Å; Y36-T38 HydrophobicContact CE2-CG2 3.85Å; Y36-F44 HydrophobicContact CD1-CB 3.89Å; Y36-F44 HydrophobicContact CD2-CB 4.11Å; Y36-F44 HydrophobicContact CD2-CD2 4.34Å; Y36-F44 HydrophobicContact CE1-CB 3.4Å; Y36-F44 VanDerWaalsContact CE1-CB 3.4Å; Y36-F44 HydrophobicContact CE1-CG 4.26Å; Y36-F44 HydrophobicContact CE2-CB 3.63Å; Y36-F44 AromaticContact CE2-CD2 3.62Å; Y36-F44 HydrophobicContact CE2-CD2 3.62Å; Y36-F44 AromaticContact CE2-CG 3.82Å; Y36-F44 HydrophobicContact CE2-CG 3.82Å; Y36-F44 HydrophobicContact CG-CB 4.24Å; Y36-F44 AromaticContact CZ-CD2 3.93Å; Y36-F44 AromaticContact CZ-CG 3.63Å; Y36-F44 PolarHBondContact N-O 3.25Å; Y36-F44 PolarHBondContact O-N 3.38Å; Y36-F46 HydrophobicContact CD1-CD1 4.27Å; Y36-F46 AromaticContact CD1-CE1 3.81Å; Y36-F46 HydrophobicContact CD1-CE1 3.81Å; Y36-F46 HydrophobicContact CE1-CD1 4.01Å; Y36-F46 AromaticContact CE1-CE1 3.73Å; Y36-F46 HydrophobicContact CE1-CE1 3.73Å; Y36-P65 HydrophobicContact CE1-CB 4.19Å; Y36-P65 HydrophobicContact CE1-CG 4.27Å; Y36-P65 WeakPolarHBondContact OH-CB 3.12Å
37V97.1Very high94.6Very high3 Ų329.2 Ų29.22%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-121.8130.9178.1-1700000108.3R22 K23 L35 E42 V43 I76R22-V37 PolarHBondContact N-O 3.39Å; K23-V37 HydrophobicContact CB-CB 4.05Å; K23-V37 HydrophobicContact CB-CG2 4.11Å; K23-V37 PolarHBondContact N-O 3.25Å; K23-V37 VanDerWaalsContact N-O 3.16Å; K23-V37 PolarHBondContact O-N 3.02Å; L35-V37 HydrophobicContact CD2-CG2 4.18Å; V37-E42 CarbonylContact C-O 3.5Å; V37-E42 VanDerWaalsContact CA-O 3.25Å; V37-E42 WeakPolarHBondContact CA-O 3.37Å; V37-V43 HydrophobicContact CG1-CG2 4.49Å; V37-V43 HydrophobicContact CG2-CG2 4.29Å; V37-I76 HydrophobicContact CG2-CB 4.27Å; V37-I76 HydrophobicContact CG2-CG1 3.88Å
38T95Very high94.6Very high9 Ų932.9 Ų32.96%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-86.8173.6179.866.90000112.7S20 Y36 D40 D41 E42 F44S20-T38 CarbonylContact O-C 3.54Å; S20-T38 WeakPolarHBondContact O-CA 3.38Å; Y36-T38 HydrophobicContact CD2-CG2 4.16Å; Y36-T38 HydrophobicContact CE2-CG2 3.85Å; T38-D40 PolarHBondContact O-N 3.37Å; T38-D40 PolarHBondContact OG1-N 3.31Å; T38-D41 PolarHBondContact O-N 3.07Å; T38-D41 VanDerWaalsContact O-N 3.12Å; T38-E42 PolarHBondContact N-O 3.19Å; T38-E42 WeakPolarHBondContact OG1-CB 3.46Å; T38-E42 PolarHBondContact OG1-N 3.35Å; T38-F44 HydrophobicContact CG2-CD2 3.96Å; T38-F44 HydrophobicContact CG2-CE2 3.87Å
39D90.5Very high94.6Very high96 Ų9632.9 Ų32.951%0.51319%0.188SC..THydrogen-bonded Turntrans-58.3-26.3172.6-64.7-46.6000113.8S20 D41S20-D39 PolarHBondContact O-N 2.98Å; D39-D41 VanDerWaalsContact C-N 3.27Å; D39-D41 PolarHBondContact O-N 3.21Å
40D91.9Very high94.7Very high132 Ų13235.7 Ų35.771%0.70619%0.19SC*.THydrogen-bonded Turntrans-89.116.2178-66.9-46.3000113.2T38 E42T38-D40 PolarHBondContact O-N 3.37Å; T38-D40 PolarHBondContact OG1-N 3.31Å; D40-E42 HydrophobicContact CB-CG 4.16Å; D40-E42 PolarHBondContact O-N 2.88Å; D40-E42 VanDerWaalsContact O-N 3.15Å
41D93.4Very high94.8Very high47 Ų4733.1 Ų33.125%0.25117%0.173SC..  trans56.724-174.7-70.6-51000113.3T38 D39 G73T38-D41 PolarHBondContact O-N 3.07Å; T38-D41 VanDerWaalsContact O-N 3.12Å; D39-D41 VanDerWaalsContact C-N 3.27Å; D39-D41 PolarHBondContact O-N 3.21Å; D41-G73 PolarHBondContact O-N 3.2Å
42E96.9Very high95Very high58 Ų5833.1 Ų33.127%0.27117%0.169SC..  trans-80.9138.5172.9-56.6-167.8135.100110.4V37 T38 D40 F44 K67V37-E42 CarbonylContact C-O 3.5Å; V37-E42 VanDerWaalsContact CA-O 3.25Å; V37-E42 WeakPolarHBondContact CA-O 3.37Å; T38-E42 PolarHBondContact N-O 3.19Å; T38-E42 WeakPolarHBondContact OG1-CB 3.46Å; T38-E42 PolarHBondContact OG1-N 3.35Å; D40-E42 HydrophobicContact CB-CG 4.16Å; D40-E42 PolarHBondContact O-N 2.88Å; D40-E42 VanDerWaalsContact O-N 3.15Å; E42-F44 HydrophobicContact CB-CD2 4.24Å; E42-F44 HydrophobicContact CB-CE2 3.61Å; E42-F44 HydrophobicContact CB-CZ 4.44Å; E42-F44 WeakPolarHBondContact OE2-CE2 3.47Å; E42-F44 WeakPolarHBondContact OE2-CZ 3.46Å; E42-K67 WeakPolarHBondContact OE1-CE 3.2Å; E42-K67 IonicContact OE1-NZ 3.65Å; E42-K67 PolarHBondContact OE1-NZ 3.15Å
43V97.9Very high95.1Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-109.6123.1-176.9-176.30000109.4L35 V37 K67 L68 L71 S72 I76L35-V43 HydrophobicContact CD1-CG1 3.98Å; L35-V43 HydrophobicContact CD2-CG1 4.02Å; L35-V43 HydrophobicContact CG-CG1 3.95Å; V37-V43 HydrophobicContact CG1-CG2 4.49Å; V37-V43 HydrophobicContact CG2-CG2 4.29Å; V43-K67 CarbonylContact O-C 3.59Å; V43-K67 WeakPolarHBondContact O-CA 3.23Å; V43-L68 HydrophobicContact CB-CB 4.42Å; V43-L68 HydrophobicContact CG1-CB 4.34Å; V43-L68 HydrophobicContact CG1-CD1 4.31Å; V43-L68 PolarHBondContact O-N 3.4Å; V43-L71 HydrophobicContact CB-CB 4.13Å; V43-L71 HydrophobicContact CG1-CB 4.39Å; V43-L71 HydrophobicContact CG1-CD1 4.48Å; V43-L71 HydrophobicContact CG2-CB 3.98Å; V43-S72 PolarHBondContact N-OG 3.35Å; V43-I76 HydrophobicContact CG2-CD1 4.22Å; V43-I76 HydrophobicContact CG2-CG1 4.07Å
44F97.9Very high95.2Very high34 Ų3431.9 Ų31.915%0.14916%0.161CC..EExtended strand (participates in β ladder)trans-120149.2179.1-70.9-94.1000111.4L35 Y36 T38 E42 P65 K66 K67L35-F44 CarbonylContact C-O 3.38Å; L35-F44 VanDerWaalsContact CA-O 3.3Å; L35-F44 WeakPolarHBondContact CA-O 3.43Å; Y36-F44 HydrophobicContact CD1-CB 3.89Å; Y36-F44 HydrophobicContact CD2-CB 4.11Å; Y36-F44 HydrophobicContact CD2-CD2 4.34Å; Y36-F44 HydrophobicContact CE1-CB 3.4Å; Y36-F44 VanDerWaalsContact CE1-CB 3.4Å; Y36-F44 HydrophobicContact CE1-CG 4.26Å; Y36-F44 HydrophobicContact CE2-CB 3.63Å; Y36-F44 AromaticContact CE2-CD2 3.62Å; Y36-F44 HydrophobicContact CE2-CD2 3.62Å; Y36-F44 AromaticContact CE2-CG 3.82Å; Y36-F44 HydrophobicContact CE2-CG 3.82Å; Y36-F44 HydrophobicContact CG-CB 4.24Å; Y36-F44 AromaticContact CZ-CD2 3.93Å; Y36-F44 AromaticContact CZ-CG 3.63Å; Y36-F44 PolarHBondContact N-O 3.25Å; Y36-F44 PolarHBondContact O-N 3.38Å; T38-F44 HydrophobicContact CG2-CD2 3.96Å; T38-F44 HydrophobicContact CG2-CE2 3.87Å; E42-F44 HydrophobicContact CB-CD2 4.24Å; E42-F44 HydrophobicContact CB-CE2 3.61Å; E42-F44 HydrophobicContact CB-CZ 4.44Å; E42-F44 WeakPolarHBondContact OE2-CE2 3.47Å; E42-F44 WeakPolarHBondContact OE2-CZ 3.46Å; F44-P65 HydrophobicContact CB-CB 4.37Å; F44-P65 HydrophobicContact CD1-CB 3.9Å; F44-P65 HydrophobicContact CG-CB 4.48Å; F44-K66 WeakPolarHBondContact CA-O 3.28Å; F44-K67 HydrophobicContact CD1-CB 4.02Å; F44-K67 HydrophobicContact CE1-CB 3.7Å; F44-K67 HydrophobicContact CE1-CG 4.25Å; F44-K67 HydrophobicContact CZ-CB 4.21Å; F44-K67 HydrophobicContact CZ-CD 4.26Å; F44-K67 HydrophobicContact CZ-CG 4.27Å
45V97.8Very high95.2Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-135.9147.6176.5-66.80000111.3A34 L35 L54 T56 K66 L68A34-V45 VanDerWaalsContact O-CA 3.26Å; A34-V45 WeakPolarHBondContact O-CA 3.38Å; L35-V45 HydrophobicContact CB-CG1 4.01Å; L35-V45 HydrophobicContact CD1-CG1 3.91Å; L35-V45 HydrophobicContact CG-CG1 3.94Å; V45-L54 HydrophobicContact CB-CB 4.29Å; V45-L54 HydrophobicContact CB-CD2 4.25Å; V45-L54 HydrophobicContact CG2-CB 4.03Å; V45-L54 WeakPolarHBondContact CG2-O 3.36Å; V45-T56 HydrophobicContact CG2-CG2 3.71Å; V45-K66 HydrophobicContact CG2-CB 4.47Å; V45-K66 PolarHBondContact N-O 3.42Å; V45-K66 PolarHBondContact O-N 3.33Å; V45-L68 HydrophobicContact CB-CD1 4.47Å; V45-L68 HydrophobicContact CB-CG 4.45Å; V45-L68 HydrophobicContact CG1-CD1 3.49Å; V45-L68 VanDerWaalsContact CG1-CD1 3.49Å; V45-L68 HydrophobicContact CG1-CG 3.9Å; V45-L68 HydrophobicContact CG2-CD1 4.18Å; V45-L68 HydrophobicContact CG2-CD2 3.77Å; V45-L68 HydrophobicContact CG2-CG 3.76Å
46F97.3Very high95.1Very high0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-163.3168.5171.864.7-65.3000111I9 F10 L12 L13 A34 Y36 L54 T62 P65I9-F46 HydrophobicContact CD1-CE2 4.35Å; I9-F46 HydrophobicContact CG1-CD2 4.07Å; I9-F46 HydrophobicContact CG1-CE2 3.48Å; I9-F46 VanDerWaalsContact CG1-CE2 3.48Å; I9-F46 HydrophobicContact CG1-CZ 3.86Å; I9-F46 WeakPolarHBondContact O-CE2 3.4Å; F10-F46 HydrophobicContact CD1-CE1 4.05Å; F10-F46 AromaticContact CD1-CZ 3.75Å; F10-F46 HydrophobicContact CD1-CZ 3.75Å; F10-F46 AromaticContact CE1-CE1 3.88Å; F10-F46 HydrophobicContact CE1-CE1 3.88Å; F10-F46 HydrophobicContact CE1-CZ 4.03Å; L12-F46 HydrophobicContact CB-CE2 4.33Å; L12-F46 HydrophobicContact CD1-CD2 4.38Å; L12-F46 HydrophobicContact CD1-CE2 4.11Å; L13-F46 HydrophobicContact CD1-CE1 4.49Å; L13-F46 HydrophobicContact CD1-CZ 4.33Å; L13-F46 HydrophobicContact CD2-CE1 4.38Å; L13-F46 HydrophobicContact CD2-CE2 4.4Å; L13-F46 HydrophobicContact CD2-CZ 4.08Å; L13-F46 HydrophobicContact CG-CZ 4.2Å; A34-F46 HydrophobicContact CB-CD1 4.02Å; A34-F46 HydrophobicContact CB-CE1 3.61Å; A34-F46 HydrophobicContact CB-CZ 4.01Å; A34-F46 PolarHBondContact N-O 3.46Å; A34-F46 PolarHBondContact O-N 3.49Å; A34-F46 VanDerWaalsContact O-N 3.08Å; Y36-F46 HydrophobicContact CD1-CD1 4.27Å; Y36-F46 AromaticContact CD1-CE1 3.81Å; Y36-F46 HydrophobicContact CD1-CE1 3.81Å; Y36-F46 HydrophobicContact CE1-CD1 4.01Å; Y36-F46 AromaticContact CE1-CE1 3.73Å; Y36-F46 HydrophobicContact CE1-CE1 3.73Å; F46-L54 WeakPolarHBondContact O-CD2 3.42Å; F46-T62 HydrophobicContact CB-CG2 4.16Å; F46-P65 HydrophobicContact CD1-CG 4.35Å; F46-P65 HydrophobicContact CG-CG 4.45Å
47G96.1Very high95Very high4 Ų435.3 Ų35.34%0.04119%0.191CC..EExtended strand (participates in β ladder)trans116-152.6-176.600000113.2S32 S61 T62S32-G47 CarbonylContact O-C 3.58Å; S32-G47 WeakPolarHBondContact O-CA 3.19Å; G47-S61 CarbonylContact O-C 3.46Å; G47-S61 WeakPolarHBondContact O-CA 3.32Å; G47-S61 WeakPolarHBondContact O-CB 3.34Å; G47-T62 WeakPolarHBondContact CA-O 3.5Å; G47-T62 PolarHBondContact N-O 3.37Å; G47-T62 PolarHBondContact O-N 3.12Å
48L94.8Very high94.8Very high80 Ų8037.4 Ų37.442%0.41920%0.202SC..  trans-70142.7172-66.3-172.2000110.5S32 E33 L54 S61S32-L48 PolarHBondContact O-N 3.36Å; S32-L48 VanDerWaalsContact OG-CD1 3.24Å; S32-L48 WeakPolarHBondContact OG-CD1 3.06Å; S32-L48 WeakPolarHBondContact OG-CG 3.31Å; E33-L48 WeakPolarHBondContact CG-O 3.41Å; L48-L54 WeakPolarHBondContact O-CG 3.42Å; L48-S61 WeakPolarHBondContact CA-OG 3.22Å
49N93.6Very high94.7Very high8 Ų842.7 Ų42.74%0.04323%0.23CC..  trans-10747.2175.5-159.69.4000112.1S51 N52 C53 L54 T56 D58 Q60 S61N49-S51 PolarHBondContact O-N 3.17Å; N49-N52 PolarHBondContact O-N 3.37Å; N49-N52 WeakPolarHBondContact OD1-CA 3.28Å; N49-C53 PolarHBondContact OD1-N 3.06Å; N49-L54 HydrophobicContact CB-CB 4.39Å; N49-L54 HydrophobicContact CB-CD1 3.77Å; N49-L54 HydrophobicContact CB-CG 3.87Å; N49-L54 WeakPolarHBondContact OD1-CB 3.39Å; N49-L54 PolarHBondContact OD1-N 3.25Å; N49-T56 PolarHBondContact ND2-OG1 2.89Å; N49-D58 PolarHBondContact ND2-O 3.13Å; N49-Q60 VanDerWaalsContact CB-O 3.29Å; N49-Q60 WeakPolarHBondContact CB-O 3.02Å; N49-Q60 PolarHBondContact ND2-N 2.86Å; N49-Q60 PolarHBondContact ND2-O 3.31Å; N49-S61 PolarHBondContact N-OG 3.02Å
50Y87.8Confident94.9Very high140 Ų14043.9 Ų43.955%0.54923%0.233SC..G310 helixtrans-67.2132.4-179.9-171.8-97.4000110.5N52 C53 P85Y50-N52 PolarHBondContact O-N 3.44Å; Y50-C53 PolarHBondContact O-N 3.47Å; Y50-C53 PolarHBondContact O-SG 3.09Å; Y50-P85 HydrophobicContact CD1-CG 3.55Å; Y50-P85 HydrophobicContact CE1-CG 3.76Å
51S91.9Very high95.2Very high30 Ų3040.9 Ų40.921%0.2122%0.222CC..G310 helixtrans52.823.1-173.1-550000115.1N49 G100 H101N49-S51 PolarHBondContact O-N 3.17Å; S51-G100 CarbonylContact O-C 3.58Å; S51-G100 WeakPolarHBondContact O-CA 3.48Å; S51-H101 PolarHBondContact O-N 3Å
52N95.3Very high95.3Very high23 Ų2339.7 Ų39.712%0.12322%0.217CC..G310 helixtrans65.828.2-178.4-37.8-65.5000114.8N49 Y50 L54 G55 N59 I116N49-N52 PolarHBondContact O-N 3.37Å; N49-N52 WeakPolarHBondContact OD1-CA 3.28Å; Y50-N52 PolarHBondContact O-N 3.44Å; N52-L54 PolarHBondContact O-N 3.02Å; N52-G55 PolarHBondContact O-N 3.48Å; N52-N59 WeakPolarHBondContact OD1-CB 3.47Å; N52-I116 HydrophobicContact CB-CB 4.42Å; N52-I116 HydrophobicContact CB-CG2 4.22Å
53C95.3Very high95.2Very high1 Ų142.7 Ų42.71%0.00723%0.234CC..THydrogen-bonded Turntrans-73.3-8.1-176-60.70000115.1F27 N49 Y50 G55 P85 V87 W99F27-C53 HydrophobicContact CE2-CB 3.91Å; N49-C53 PolarHBondContact OD1-N 3.06Å; Y50-C53 PolarHBondContact O-N 3.47Å; Y50-C53 PolarHBondContact O-SG 3.09Å; C53-G55 VanDerWaalsContact C-N 3.31Å; C53-P85 PolarHBondContact SG-O 3.24Å; C53-V87 HydrophobicContact CB-CG2 4.33Å; C53-W99 PolarHBondContact O-NE1 3.35Å
54L96.7Very high95.1Very high0 Ų047.6 Ų47.60%026%0.264CS..THydrogen-bonded Turntrans-74.7-24.4165.9-57.7-173.7000111.6E33 V45 F46 L48 N49 N52 T56 T62E33-L54 HydrophobicContact CB-CD2 4.3Å; E33-L54 HydrophobicContact CG-CD2 4.21Å; V45-L54 HydrophobicContact CB-CB 4.29Å; V45-L54 HydrophobicContact CB-CD2 4.25Å; V45-L54 HydrophobicContact CG2-CB 4.03Å; V45-L54 WeakPolarHBondContact CG2-O 3.36Å; F46-L54 WeakPolarHBondContact O-CD2 3.42Å; L48-L54 WeakPolarHBondContact O-CG 3.42Å; N49-L54 HydrophobicContact CB-CB 4.39Å; N49-L54 HydrophobicContact CB-CD1 3.77Å; N49-L54 HydrophobicContact CB-CG 3.87Å; N49-L54 WeakPolarHBondContact OD1-CB 3.39Å; N49-L54 PolarHBondContact OD1-N 3.25Å; N52-L54 PolarHBondContact O-N 3.02Å; L54-T56 VanDerWaalsContact C-N 3.27Å; L54-T56 HydrophobicContact CB-CG2 3.9Å; L54-T56 PolarHBondContact O-N 3.43Å; L54-T62 HydrophobicContact CD1-CG2 4.06Å
55G96.4Very high95Very high3 Ų347.2 Ų47.23%0.03126%0.264CS..  trans6923.6178.200000114.1N52 C53 G57 L68 W99 I116 A117 P118N52-G55 PolarHBondContact O-N 3.48Å; C53-G55 VanDerWaalsContact C-N 3.31Å; G55-G57 PolarHBondContact O-N 3.47Å; G55-L68 WeakPolarHBondContact O-CD2 3.24Å; G55-W99 VanDerWaalsContact CA-CD1 3.49Å; G55-I116 CarbonylContact C-O 3.59Å; G55-I116 VanDerWaalsContact CA-O 3.3Å; G55-I116 WeakPolarHBondContact CA-O 3.49Å; G55-A117 WeakPolarHBondContact O-CA 3.31Å; G55-P118 VanDerWaalsContact O-CD 3.24Å; G55-P118 WeakPolarHBondContact O-CD 3.39Å
56T96.2Very high95Very high32 Ų3250.3 Ų50.320%0.19628%0.278CS..SBendtrans-76.7-0.6-174.845.90000114.6V45 N49 L54 D58 K66 L68 I116V45-T56 HydrophobicContact CG2-CG2 3.71Å; N49-T56 PolarHBondContact ND2-OG1 2.89Å; L54-T56 VanDerWaalsContact C-N 3.27Å; L54-T56 HydrophobicContact CB-CG2 3.9Å; L54-T56 PolarHBondContact O-N 3.43Å; T56-D58 PolarHBondContact O-N 3.36Å; T56-D58 PolarHBondContact OG1-OD1 3.43Å; T56-K66 HydrophobicContact CG2-CB 4.21Å; T56-K66 HydrophobicContact CG2-CD 3.85Å; T56-L68 HydrophobicContact CG2-CD2 4.3Å; T56-I116 PolarHBondContact N-O 3.21Å
57G95.4Very high95Very high42 Ų4253.6 Ų53.643%0.43329%0.292SS..SBendtrans79.42.9-172.200000113.9G55 I116G55-G57 PolarHBondContact O-N 3.47Å; G57-I116 WeakPolarHBondContact CA-O 3.32Å; G57-I116 PolarHBondContact N-O 2.85Å
58D93.1Very high95Very high47 Ų4753.8 Ų53.825%0.25129%0.292SS..SBendtrans-135.1177.9175.864.741.3000110N49 T56 Q60 K66N49-D58 PolarHBondContact ND2-O 3.13Å; T56-D58 PolarHBondContact O-N 3.36Å; T56-D58 PolarHBondContact OG1-OD1 3.43Å; D58-Q60 PolarHBondContact OD1-N 3.41Å; D58-K66 IonicContact OD2-NZ 3.86Å; D58-K66 PolarHBondContact OD2-NZ 3.14Å; D58-K66 VanDerWaalsContact OD2-NZ 3.08Å
59N92.8Very high94.9Very high120 Ų12056.4 Ų56.464%0.64230%0.302SS*.SBendtrans-10720.6176.265.3-3.8000112.4N52N52-N59 WeakPolarHBondContact OD1-CB 3.47Å
60Q95.5Very high94.9Very high120 Ų12058.7 Ų58.756%0.56133%0.328SS*.  trans-95.2129.1-173.5-63.9-171.7-6.900111.1N49 D58N49-Q60 VanDerWaalsContact CB-O 3.29Å; N49-Q60 WeakPolarHBondContact CB-O 3.02Å; N49-Q60 PolarHBondContact ND2-N 2.86Å; N49-Q60 PolarHBondContact ND2-O 3.31Å; D58-Q60 PolarHBondContact OD1-N 3.41Å
61S96.4Very high95.3Very high70 Ų7052 Ų5249%0.4930%0.302SS..  trans-68.9150167.4-56.30000110.3G47 L48 N49G47-S61 CarbonylContact O-C 3.46Å; G47-S61 WeakPolarHBondContact O-CA 3.32Å; G47-S61 WeakPolarHBondContact O-CB 3.34Å; L48-S61 WeakPolarHBondContact CA-OG 3.22Å; N49-S61 PolarHBondContact N-OG 3.02Å
62T96Very high95.3Very high22 Ų2251.8 Ų51.814%0.13530%0.3CS..EExtended strand (participates in β ladder)trans-144.5137.6179.1-177.90000110.2F46 G47 L54 V64 K66F46-T62 HydrophobicContact CB-CG2 4.16Å; G47-T62 WeakPolarHBondContact CA-O 3.5Å; G47-T62 PolarHBondContact N-O 3.37Å; G47-T62 PolarHBondContact O-N 3.12Å; L54-T62 HydrophobicContact CD1-CG2 4.06Å; T62-V64 WeakPolarHBondContact CG2-O 3.49Å; T62-V64 PolarHBondContact OG1-N 3.47Å; T62-V64 PolarHBondContact OG1-O 3.04Å; T62-K66 HydrophobicContact CG2-CD 4.05Å; T62-K66 HydrophobicContact CG2-CG 4.09Å
63L94.8Very high95.2Very high120 Ų12053.4 Ų53.463%0.62832%0.322SS*.EExtended strand (participates in β ladder)trans-93.3-10.1169.5-64.4179.6000112L12L12-L63 HydrophobicContact CD1-CB 4.26Å; L12-L63 HydrophobicContact CD1-CD2 3.84Å
64V95.4Very high95.2Very high104 Ų10456.5 Ų56.563%0.6334%0.335SS*.EExtended strand (participates in β ladder)trans-94.4129.2174.3-1780000108.3T62 K66T62-V64 WeakPolarHBondContact CG2-O 3.49Å; T62-V64 PolarHBondContact OG1-N 3.47Å; T62-V64 PolarHBondContact OG1-O 3.04Å; V64-K66 PolarHBondContact O-N 3.01Å
65P96.9Very high95.1Very high25 Ų2561.6 Ų61.616%0.16236%0.358CS..EExtended strand (participates in β ladder)trans-49.4124.2172.5-29.637.4000112.4L13 Y36 F44 F46L13-P65 HydrophobicContact CD2-CG 3.27Å; Y36-P65 HydrophobicContact CE1-CB 4.19Å; Y36-P65 HydrophobicContact CE1-CG 4.27Å; Y36-P65 WeakPolarHBondContact OH-CB 3.12Å; F44-P65 HydrophobicContact CB-CB 4.37Å; F44-P65 HydrophobicContact CD1-CB 3.9Å; F44-P65 HydrophobicContact CG-CB 4.48Å; F46-P65 HydrophobicContact CD1-CG 4.35Å; F46-P65 HydrophobicContact CG-CG 4.45Å
66K96.9Very high95.1Very high65 Ų6561.5 Ų61.528%0.28336%0.356SS..EExtended strand (participates in β ladder)trans-105.5130.1169.5-77.5-175.6176.7179.60108.7F44 V45 T56 D58 T62 V64F44-K66 WeakPolarHBondContact CA-O 3.28Å; V45-K66 HydrophobicContact CG2-CB 4.47Å; V45-K66 PolarHBondContact N-O 3.42Å; V45-K66 PolarHBondContact O-N 3.33Å; T56-K66 HydrophobicContact CG2-CB 4.21Å; T56-K66 HydrophobicContact CG2-CD 3.85Å; D58-K66 IonicContact OD2-NZ 3.86Å; D58-K66 PolarHBondContact OD2-NZ 3.14Å; D58-K66 VanDerWaalsContact OD2-NZ 3.08Å; T62-K66 HydrophobicContact CG2-CD 4.05Å; T62-K66 HydrophobicContact CG2-CG 4.09Å; V64-K66 PolarHBondContact O-N 3.01Å
67K97Very high95.1Very high70 Ų7064.1 Ų64.130%0.30437%0.365SS..EExtended strand (participates in β ladder)trans-71.3132.8173.5-171.1171.2172.2178.80110.4E42 V43 F44 E69 S72E42-K67 WeakPolarHBondContact OE1-CE 3.2Å; E42-K67 IonicContact OE1-NZ 3.65Å; E42-K67 PolarHBondContact OE1-NZ 3.15Å; V43-K67 CarbonylContact O-C 3.59Å; V43-K67 WeakPolarHBondContact O-CA 3.23Å; F44-K67 HydrophobicContact CD1-CB 4.02Å; F44-K67 HydrophobicContact CE1-CB 3.7Å; F44-K67 HydrophobicContact CE1-CG 4.25Å; F44-K67 HydrophobicContact CZ-CB 4.21Å; F44-K67 HydrophobicContact CZ-CD 4.26Å; F44-K67 HydrophobicContact CZ-CG 4.27Å; K67-E69 WeakPolarHBondContact CE-OE2 3.24Å; K67-E69 IonicContact NZ-OE2 2.68Å; K67-E69 PolarHBondContact O-N 3.16Å; K67-S72 WeakPolarHBondContact CE-OG 3.43Å; K67-S72 WeakPolarHBondContact CG-OG 3.43Å
68L96.5Very high95.2Very high7 Ų763.1 Ų63.14%0.03735%0.351CS..  trans-90.889.8170.2-70.5-172.5000109.4V43 V45 G55 T56 G70 L71 S72 P118V43-L68 HydrophobicContact CB-CB 4.42Å; V43-L68 HydrophobicContact CG1-CB 4.34Å; V43-L68 HydrophobicContact CG1-CD1 4.31Å; V43-L68 PolarHBondContact O-N 3.4Å; V45-L68 HydrophobicContact CB-CD1 4.47Å; V45-L68 HydrophobicContact CB-CG 4.45Å; V45-L68 HydrophobicContact CG1-CD1 3.49Å; V45-L68 VanDerWaalsContact CG1-CD1 3.49Å; V45-L68 HydrophobicContact CG1-CG 3.9Å; V45-L68 HydrophobicContact CG2-CD1 4.18Å; V45-L68 HydrophobicContact CG2-CD2 3.77Å; V45-L68 HydrophobicContact CG2-CG 3.76Å; G55-L68 WeakPolarHBondContact O-CD2 3.24Å; T56-L68 HydrophobicContact CG2-CD2 4.3Å; L68-G70 PolarHBondContact O-N 3.3Å; L68-L71 HydrophobicContact CB-CB 4.41Å; L68-L71 HydrophobicContact CD1-CD1 3.99Å; L68-L71 PolarHBondContact O-N 3Å; L68-S72 PolarHBondContact O-N 3.19Å; L68-S72 PolarHBondContact O-OG 3.31Å; L68-P118 HydrophobicContact CD1-CG 4.34Å
69E93.6Very high95.4Very high136 Ų13661.3 Ų61.364%0.63634%0.342SS*.THydrogen-bonded Turntrans-57.4-36.3-176.4-62.3-63.3175.500113K67 L71 S72K67-E69 WeakPolarHBondContact CE-OE2 3.24Å; K67-E69 IonicContact NZ-OE2 2.68Å; K67-E69 PolarHBondContact O-N 3.16Å; E69-L71 PolarHBondContact O-N 3.18Å; E69-S72 PolarHBondContact O-N 3.34Å
70G92.3Very high95.7Very high56 Ų5656.5 Ų56.558%0.57732%0.317SS*.THydrogen-bonded Turntrans-66.5-16179.100000114.9L68 K74L68-G70 PolarHBondContact O-N 3.3Å; G70-K74 WeakPolarHBondContact O-CE 3.41Å
71L95.8Very high95.8Very high0 Ų051.4 Ų51.40%029%0.293CS..THydrogen-bonded Turntrans-114.7-16.1179.8-65.1179.2000113.6V43 L68 E69 K74 L89 Y97 W99 P118V43-L71 HydrophobicContact CB-CB 4.13Å; V43-L71 HydrophobicContact CG1-CB 4.39Å; V43-L71 HydrophobicContact CG1-CD1 4.48Å; V43-L71 HydrophobicContact CG2-CB 3.98Å; L68-L71 HydrophobicContact CB-CB 4.41Å; L68-L71 HydrophobicContact CD1-CD1 3.99Å; L68-L71 PolarHBondContact O-N 3Å; E69-L71 PolarHBondContact O-N 3.18Å; L71-K74 HydrophobicContact CD2-CD 4.14Å; L71-K74 VanDerWaalsContact O-CB 3.22Å; L71-K74 WeakPolarHBondContact O-CB 3.34Å; L71-K74 WeakPolarHBondContact O-CG 3.26Å; L71-K74 PolarHBondContact O-N 3.35Å; L71-L89 HydrophobicContact CD1-CD1 4.1Å; L71-Y97 HydrophobicContact CD2-CD1 3.91Å; L71-Y97 HydrophobicContact CD2-CD2 3.82Å; L71-Y97 HydrophobicContact CD2-CE1 4.26Å; L71-Y97 HydrophobicContact CD2-CE2 4.17Å; L71-Y97 HydrophobicContact CD2-CG 3.69Å; L71-W99 HydrophobicContact CD1-CH2 3.89Å; L71-W99 HydrophobicContact CD1-CZ3 4.06Å; L71-P118 HydrophobicContact CD1-CB 4.03Å; L71-P118 HydrophobicContact CD1-CG 3.66Å; L71-P118 HydrophobicContact CD2-CB 4.08Å; L71-P118 HydrophobicContact CG-CB 4.03Å; L71-P118 HydrophobicContact CG-CG 3.95Å
72S93.1Very high95.6Very high25 Ų2548.2 Ų48.218%0.17527%0.271CS..THydrogen-bonded Turntrans-64.6137.1-179-640000111.3V43 K67 L68 E69 K74V43-S72 PolarHBondContact N-OG 3.35Å; K67-S72 WeakPolarHBondContact CE-OG 3.43Å; K67-S72 WeakPolarHBondContact CG-OG 3.43Å; L68-S72 PolarHBondContact O-N 3.19Å; L68-S72 PolarHBondContact O-OG 3.31Å; E69-S72 PolarHBondContact O-N 3.34Å; S72-K74 PolarHBondContact O-N 3.16Å
73G93.1Very high95.3Very high57 Ų5748.6 Ų48.659%0.58828%0.275SS*.THydrogen-bonded Turntrans77.6-2.2-172.100000114.3D41D41-G73 PolarHBondContact O-N 3.2Å
74K94.6Very high94.5Very high65 Ų6543.1 Ų43.128%0.28325%0.247SC..SBendtrans-88.6122168.8-56.3-176-176-74.60108.5G70 L71 S72 I76 T91 Y97G70-K74 WeakPolarHBondContact O-CE 3.41Å; L71-K74 HydrophobicContact CD2-CD 4.14Å; L71-K74 VanDerWaalsContact O-CB 3.22Å; L71-K74 WeakPolarHBondContact O-CB 3.34Å; L71-K74 WeakPolarHBondContact O-CG 3.26Å; L71-K74 PolarHBondContact O-N 3.35Å; S72-K74 PolarHBondContact O-N 3.16Å; K74-I76 HydrophobicContact CB-CD1 4.3Å; K74-I76 WeakPolarHBondContact O-CD1 3.44Å; K74-I76 WeakPolarHBondContact O-CG1 3.47Å; K74-I76 PolarHBondContact O-N 2.77Å; K74-T91 HydrophobicContact CB-CG2 3.75Å; K74-T91 HydrophobicContact CD-CG2 4.27Å; K74-Y97 HydrophobicContact CD-CE2 3.7Å; K74-Y97 WeakPolarHBondContact CE-OH 3.08Å; K74-Y97 PolarHBondContact NZ-OH 2.92Å
75K95.1Very high94.2Very high108 Ų10838.7 Ų38.747%0.4722%0.22SC..  trans-68105.7176.9-64.4-169.5175-169.50110.2K77 T91 E92K75-K77 PolarHBondContact O-N 3.03Å; K75-T91 CarbonylContact O-C 3.5Å; K75-T91 WeakPolarHBondContact O-CA 3.48Å; K75-T91 WeakPolarHBondContact O-CB 3.44Å; K75-E92 HydrophobicContact CB-CB 3.95Å; K75-E92 HydrophobicContact CB-CG 3.72Å; K75-E92 WeakPolarHBondContact CD-OE2 3.31Å; K75-E92 PolarHBondContact O-N 3.3Å
76I96.3Very high94.2Very high0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-75.4123.5-176.2-52.3-48.7000109.8K23 V37 V43 K74 L89 T91 L345K23-I76 PolarHBondContact NZ-O 2.88Å; V37-I76 HydrophobicContact CG2-CB 4.27Å; V37-I76 HydrophobicContact CG2-CG1 3.88Å; V43-I76 HydrophobicContact CG2-CD1 4.22Å; V43-I76 HydrophobicContact CG2-CG1 4.07Å; K74-I76 HydrophobicContact CB-CD1 4.3Å; K74-I76 WeakPolarHBondContact O-CD1 3.44Å; K74-I76 WeakPolarHBondContact O-CG1 3.47Å; K74-I76 PolarHBondContact O-N 2.77Å; I76-L89 HydrophobicContact CD1-CD1 3.79Å; I76-L89 HydrophobicContact CD1-CD2 3.6Å; I76-L89 HydrophobicContact CD1-CG 4.14Å; I76-L89 HydrophobicContact CG1-CD1 4.24Å; I76-L89 HydrophobicContact CG2-CD1 3.8Å; I76-L89 HydrophobicContact CG2-CD2 4.26Å; I76-L89 HydrophobicContact CG2-CG 3.85Å; I76-T91 HydrophobicContact CD1-CG2 4.15Å; I76-L345 HydrophobicContact CG2-CD2 4.07Å
77K95.9Very high94.2Very high88 Ų8834.5 Ų34.538%0.38320%0.2SC..EExtended strand (participates in β ladder)trans-97.4-50.9-178.5-178.6169.3-179.2170.40113.1K75 S90 E92 V131K75-K77 PolarHBondContact O-N 3.03Å; K77-S90 PolarHBondContact N-O 2.96Å; K77-E92 HydrophobicContact CB-CG 4.16Å; K77-V131 WeakPolarHBondContact CE-O 3.48Å; K77-V131 VanDerWaalsContact NZ-CG1 3.3Å
78S97.7Very high94.3Very high21 Ų2131.1 Ų31.115%0.14719%0.185CC..EExtended strand (participates in β ladder)trans-143.5143.8-178.51710000109.7L89 S90 V133S78-L89 CarbonylContact O-C 3.53Å; S78-L89 WeakPolarHBondContact O-CA 3.47Å; S78-S90 WeakPolarHBondContact CB-OG 3.28Å; S78-S90 PolarHBondContact N-O 3.23Å; S78-S90 PolarHBondContact N-OG 2.92Å; S78-S90 PolarHBondContact O-N 3.07Å; S78-S90 PolarHBondContact O-OG 3.07Å; S78-V133 PolarHBondContact OG-N 3.13Å
79L98Very high94.4Very high9 Ų930.8 Ų30.85%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-136.4135.5178.6179.9160.9000108.2C25 L35 Y81 V87 L88 L89 L345C25-L79 HydrophobicContact CB-CD1 4.38Å; C25-L79 HydrophobicContact CB-CD2 3.87Å; C25-L79 VanDerWaalsContact SG-CD2 3.5Å; L35-L79 HydrophobicContact CB-CD1 4.45Å; L35-L79 HydrophobicContact CD1-CD1 3.91Å; L35-L79 HydrophobicContact CD2-CD1 3.71Å; L35-L79 HydrophobicContact CG-CD1 4.24Å; L79-Y81 HydrophobicContact CD2-CD1 4.29Å; L79-V87 HydrophobicContact CG-CG1 4.26Å; L79-L88 WeakPolarHBondContact CA-O 3.24Å; L79-L89 HydrophobicContact CD1-CD1 4.26Å; L79-L345 HydrophobicContact CB-CB 4.3Å; L79-L345 HydrophobicContact CB-CD1 4.14Å; L79-L345 HydrophobicContact CB-CD2 4.06Å; L79-L345 HydrophobicContact CB-CG 4.41Å; L79-L345 HydrophobicContact CD1-CD1 4.39Å
80S97.9Very high94.6Very high19 Ų1924.3 Ų24.313%0.13315%0.153CC..EExtended strand (participates in β ladder)trans-139.3153.9171-178.40000109.6L88 V133 C135S80-L88 PolarHBondContact N-O 3.41Å; S80-L88 PolarHBondContact O-N 3.23Å; S80-V133 WeakPolarHBondContact CB-O 3.42Å; S80-C135 WeakPolarHBondContact OG-CB 3.49Å; S80-C135 PolarHBondContact OG-N 3.39Å
81Y97.4Very high94.8Very high12 Ų1221.7 Ų21.75%0.04713%0.126CC..EExtended strand (participates in β ladder)trans-134.2154.5178.759-90.5000109.6C25 F27 L79 H86 C135 C292 H293 V341 S342C25-Y81 VanDerWaalsContact SG-CE1 3.57Å; F27-Y81 HydrophobicContact CB-CD1 3.43Å; F27-Y81 VanDerWaalsContact CB-CD1 3.43Å; F27-Y81 HydrophobicContact CB-CD2 3.5Å; F27-Y81 VanDerWaalsContact CB-CD2 3.5Å; F27-Y81 HydrophobicContact CB-CE1 3.58Å; F27-Y81 HydrophobicContact CB-CE2 3.64Å; F27-Y81 HydrophobicContact CB-CG 3.38Å; F27-Y81 HydrophobicContact CD2-CG 4.43Å; F27-Y81 HydrophobicContact CG-CD1 4.13Å; F27-Y81 HydrophobicContact CG-CD2 4.46Å; F27-Y81 HydrophobicContact CG-CG 4.03Å; L79-Y81 HydrophobicContact CD2-CD1 4.29Å; Y81-H86 CarbonylContact C-O 3.52Å; Y81-H86 WeakPolarHBondContact CA-O 3.36Å; Y81-C135 VanDerWaalsContact O-CB 3.27Å; Y81-C135 WeakPolarHBondContact O-CB 3.16Å; Y81-C292 PolarHBondContact OH-SG 3.21Å; Y81-C292 VanDerWaalsContact OH-SG 3.37Å; Y81-H293 AromaticContact CD2-CE1 3.81Å; Y81-H293 AromaticContact CE2-CE1 3.62Å; Y81-H293 PolarHBondContact O-CE1 2.97Å; Y81-H293 PolarHBondContact O-NE2 2.93Å; Y81-H293 VanDerWaalsContact O-NE2 3.16Å; Y81-V341 HydrophobicContact CE2-CB 4.44Å; Y81-V341 HydrophobicContact CE2-CG2 4.36Å; Y81-V341 WeakPolarHBondContact OH-CB 3.38Å; Y81-V341 WeakPolarHBondContact OH-CG2 3.17Å; Y81-S342 WeakPolarHBondContact CE1-O 2.95Å; Y81-S342 PolarHBondContact OH-O 3.48Å
82G94.2Very high94.8Very high3 Ų326.4 Ų26.43%0.03115%0.148CC..  trans-103.9164.2176.900000113.8P85 H86 G136G82-P85 WeakPolarHBondContact O-CA 3.49Å; G82-H86 PolarHBondContact N-O 3.29Å; G82-G136 WeakPolarHBondContact CA-O 3.44Å
83S88.4Confident94.9Very high31 Ų3130.2 Ų30.222%0.21717%0.166CC..SBendtrans-78.2-24.217358.90000113.6P85 S137 Q190 H293S83-P85 WeakPolarHBondContact O-CD 3.46Å; S83-S137 WeakPolarHBondContact OG-CA 3.37Å; S83-S137 WeakPolarHBondContact OG-CB 3.4Å; S83-Q190 VanDerWaalsContact OG-CD 3.22Å; S83-Q190 PolarHBondContact OG-NE2 3Å; S83-Q190 PolarHBondContact OG-OE1 3.19Å; S83-H293 PolarHBondContact N-NE2 2.89Å
84G77.4Confident95Very high4 Ų427.7 Ų27.74%0.04114%0.14CC..SBendtrans-90.684.9165.500000108.9H86 S137 H138G84-H86 PolarHBondContact O-N 3.33Å; G84-H86 PolarHBondContact O-ND1 3.33Å; G84-H86 VanDerWaalsContact O-ND1 3.09Å; G84-S137 CarbonylContact C-O 3.59Å; G84-S137 WeakPolarHBondContact CA-O 3.48Å; G84-S137 PolarHBondContact N-O 3.03Å; G84-H138 WeakPolarHBondContact CA-CE1 3.47Å; G84-H138 WeakPolarHBondContact CA-ND1 3.34Å
85P89.5Confident95.1Very high11 Ų1126 Ų267%0.07114%0.135CC..SBend-74.5118-124.621.5-28.2000110.8Y50 C53 G82 S83 H101Y50-P85 HydrophobicContact CD1-CG 3.55Å; Y50-P85 HydrophobicContact CE1-CG 3.76Å; C53-P85 PolarHBondContact SG-O 3.24Å; G82-P85 WeakPolarHBondContact O-CA 3.49Å; S83-P85 WeakPolarHBondContact O-CD 3.46Å; P85-H101 WeakPolarHBondContact O-CA 3.33Å; P85-H101 WeakPolarHBondContact O-CB 3.17Å; P85-H101 PolarHBondContact O-N 3.16Å
86H96.9Very high95.3Very high1 Ų121 Ų211%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-145.7156.4177.868.1-73.2000108.1Y81 G82 G84 W99 H101 Q106 L107 S140Y81-H86 CarbonylContact C-O 3.52Å; Y81-H86 WeakPolarHBondContact CA-O 3.36Å; G82-H86 PolarHBondContact N-O 3.29Å; G84-H86 PolarHBondContact O-N 3.33Å; G84-H86 PolarHBondContact O-ND1 3.33Å; G84-H86 VanDerWaalsContact O-ND1 3.09Å; H86-W99 CarbonylContact C-O 3.51Å; H86-W99 WeakPolarHBondContact CA-O 3.46Å; H86-W99 WeakPolarHBondContact CB-O 3.39Å; H86-H101 WeakPolarHBondContact CB-O 3.35Å; H86-Q106 HydrophobicContact CB-CG 4.01Å; H86-L107 HydrophobicContact CB-CD2 3.99Å; H86-S140 PolarHBondContact NE2-OG 3.39Å; H86-S140 VanDerWaalsContact NE2-OG 3.1Å
87V98.1Very high95.3Very high1 Ų121.9 Ų21.91%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-118.7135.8179.8-174.90000108.9F27 C53 L79 A98 W99F27-V87 HydrophobicContact CD2-CG2 4.46Å; F27-V87 HydrophobicContact CE2-CG2 3.85Å; F27-V87 HydrophobicContact CZ-CG2 4.1Å; C53-V87 HydrophobicContact CB-CG2 4.33Å; L79-V87 HydrophobicContact CG-CG1 4.26Å; V87-A98 VanDerWaalsContact O-CA 3.27Å; V87-A98 WeakPolarHBondContact O-CA 3.49Å; V87-W99 HydrophobicContact CB-CD2 4Å; V87-W99 HydrophobicContact CB-CE3 4.39Å; V87-W99 HydrophobicContact CB-CH2 4.06Å; V87-W99 HydrophobicContact CB-CZ2 3.62Å; V87-W99 HydrophobicContact CB-CZ3 4.42Å; V87-W99 HydrophobicContact CG1-CH2 3.5Å; V87-W99 VanDerWaalsContact CG1-CH2 3.5Å; V87-W99 HydrophobicContact CG1-CZ2 3.38Å; V87-W99 HydrophobicContact CG1-CZ3 4.11Å; V87-W99 HydrophobicContact CG2-CZ2 4.1Å; V87-W99 PolarHBondContact N-O 2.96Å; V87-W99 PolarHBondContact O-N 3.45Å; V87-W99 VanDerWaalsContact O-N 3.12Å
88L98.2Very high95.5Very high0 Ų017.7 Ų17.70%010%0.099CC..EExtended strand (participates in β ladder)trans-113.9139.6163.6-65.3-179.1000109.2L79 S80 Y97 A98 V133 C135 S140 W152L79-L88 WeakPolarHBondContact CA-O 3.24Å; S80-L88 PolarHBondContact N-O 3.41Å; S80-L88 PolarHBondContact O-N 3.23Å; L88-Y97 WeakPolarHBondContact CA-O 3.36Å; L88-A98 HydrophobicContact CD2-CB 3.55Å; L88-V133 HydrophobicContact CB-CB 4.05Å; L88-V133 HydrophobicContact CB-CG1 4.43Å; L88-V133 HydrophobicContact CB-CG2 4.07Å; L88-V133 HydrophobicContact CD1-CB 4.34Å; L88-C135 WeakPolarHBondContact CD1-SG 3.45Å; L88-C135 WeakPolarHBondContact CG-SG 3.38Å; L88-S140 VanDerWaalsContact CD1-CB 3.44Å; L88-W152 HydrophobicContact CD1-CH2 4.25Å; L88-W152 HydrophobicContact CD1-CZ2 3.91Å; L88-W152 HydrophobicContact CD2-CZ2 3.89Å
89L98Very high95.5Very high0 Ų016.7 Ų16.70%09%0.092CC..EExtended strand (participates in β ladder)trans-138137.2178.1180152.7000108.4L71 I76 S78 L79 T91 V96 Y97 W99L71-L89 HydrophobicContact CD1-CD1 4.1Å; I76-L89 HydrophobicContact CD1-CD1 3.79Å; I76-L89 HydrophobicContact CD1-CD2 3.6Å; I76-L89 HydrophobicContact CD1-CG 4.14Å; I76-L89 HydrophobicContact CG1-CD1 4.24Å; I76-L89 HydrophobicContact CG2-CD1 3.8Å; I76-L89 HydrophobicContact CG2-CD2 4.26Å; I76-L89 HydrophobicContact CG2-CG 3.85Å; S78-L89 CarbonylContact O-C 3.53Å; S78-L89 WeakPolarHBondContact O-CA 3.47Å; L79-L89 HydrophobicContact CD1-CD1 4.26Å; L89-T91 HydrophobicContact CD2-CG2 3.91Å; L89-V96 CarbonylContact O-C 3.42Å; L89-V96 VanDerWaalsContact O-CA 3.3Å; L89-V96 WeakPolarHBondContact O-CA 3.48Å; L89-Y97 HydrophobicContact CD2-CD2 4.11Å; L89-Y97 PolarHBondContact N-O 3.18Å; L89-Y97 PolarHBondContact O-N 3.22Å; L89-W99 HydrophobicContact CB-CH2 4.02Å; L89-W99 HydrophobicContact CB-CZ3 3.91Å; L89-W99 HydrophobicContact CD1-CH2 4.05Å
90S97.8Very high95.4Very high0 Ų016.3 Ų16.30%09%0.09CC..EExtended strand (participates in β ladder)trans-119.7146.1170.160.40000110.3K77 S78 V95K77-S90 PolarHBondContact N-O 2.96Å; S78-S90 WeakPolarHBondContact CB-OG 3.28Å; S78-S90 PolarHBondContact N-O 3.23Å; S78-S90 PolarHBondContact N-OG 2.92Å; S78-S90 PolarHBondContact O-N 3.07Å; S78-S90 PolarHBondContact O-OG 3.07Å; S90-V95 CarbonylContact C-O 3.58Å; S90-V95 VanDerWaalsContact CA-O 3.27Å; S90-V95 WeakPolarHBondContact CA-O 3.38Å
91T97.2Very high95.4Very high0 Ų017.1 Ų17.10%09%0.092CC..EExtended strand (participates in β ladder)trans-102.8166.7179.450.10000111.2K74 K75 I76 L89 D93 G94 V95 Y97K74-T91 HydrophobicContact CB-CG2 3.75Å; K74-T91 HydrophobicContact CD-CG2 4.27Å; K75-T91 CarbonylContact O-C 3.5Å; K75-T91 WeakPolarHBondContact O-CA 3.48Å; K75-T91 WeakPolarHBondContact O-CB 3.44Å; I76-T91 HydrophobicContact CD1-CG2 4.15Å; L89-T91 HydrophobicContact CD2-CG2 3.91Å; T91-D93 WeakPolarHBondContact CB-OD1 3.49Å; T91-D93 PolarHBondContact O-N 3.32Å; T91-D93 PolarHBondContact OG1-OD1 2.83Å; T91-G94 WeakPolarHBondContact O-CA 3.33Å; T91-G94 PolarHBondContact O-N 3.19Å; T91-V95 PolarHBondContact N-O 3.33Å; T91-V95 WeakPolarHBondContact OG1-CB 3.33Å; T91-V95 PolarHBondContact OG1-N 2.85Å; T91-V95 PolarHBondContact OG1-O 3.49Å; T91-V95 VanDerWaalsContact OG1-O 3.06Å; T91-Y97 HydrophobicContact CG2-CD2 4.31Å; T91-Y97 HydrophobicContact CG2-CE2 4.07Å
92E95.6Very high95.4Very high100 Ų10016.6 Ų16.647%0.4679%0.089SC..THydrogen-bonded Turntrans-64.6-26.4-179-72.3-171.5171.600113.6K75 K77 G94 Q129K75-E92 HydrophobicContact CB-CB 3.95Å; K75-E92 HydrophobicContact CB-CG 3.72Å; K75-E92 WeakPolarHBondContact CD-OE2 3.31Å; K75-E92 PolarHBondContact O-N 3.3Å; K77-E92 HydrophobicContact CB-CG 4.16Å; E92-G94 PolarHBondContact O-N 2.91Å; E92-Q129 PolarHBondContact O-NE2 3.26Å
93D94.9Very high95.5Very high105 Ų10518 Ų1856%0.56110%0.104SC*.THydrogen-bonded Turntrans-81.86.917166.9-21.2000113T91 V95 Q129T91-D93 WeakPolarHBondContact CB-OD1 3.49Å; T91-D93 PolarHBondContact O-N 3.32Å; T91-D93 PolarHBondContact OG1-OD1 2.83Å; D93-V95 PolarHBondContact O-N 2.79Å; D93-Q129 VanDerWaalsContact C-NE2 3.25Å; D93-Q129 PolarHBondContact O-OE1 2.92Å; D93-Q129 VanDerWaalsContact O-OE1 3.08Å
94G96Very high95.9Very high3 Ų320.7 Ų20.73%0.03111%0.11CC..  trans83.86.7169.500000115.4T91 E92 V130T91-G94 WeakPolarHBondContact O-CA 3.33Å; T91-G94 PolarHBondContact O-N 3.19Å; E92-G94 PolarHBondContact O-N 2.91Å; G94-V130 WeakPolarHBondContact CA-O 3.32Å; G94-V130 WeakPolarHBondContact O-CB 3.44Å; G94-V130 PolarHBondContact O-N 3.42Å
95V97.1Very high96.9Very high29 Ų2921 Ų2118%0.17611%0.111CC..  trans-78.3136.8178.6-176.90000110.5S90 T91 D93 Y97 Q120S90-V95 CarbonylContact C-O 3.58Å; S90-V95 VanDerWaalsContact CA-O 3.27Å; S90-V95 WeakPolarHBondContact CA-O 3.38Å; T91-V95 PolarHBondContact N-O 3.33Å; T91-V95 WeakPolarHBondContact OG1-CB 3.33Å; T91-V95 PolarHBondContact OG1-N 2.85Å; T91-V95 PolarHBondContact OG1-O 3.49Å; T91-V95 VanDerWaalsContact OG1-O 3.06Å; D93-V95 PolarHBondContact O-N 2.79Å; V95-Y97 HydrophobicContact CB-CE2 4.15Å; V95-Y97 HydrophobicContact CG1-CD2 4.26Å; V95-Y97 HydrophobicContact CG1-CE2 3.57Å; V95-Q120 HydrophobicContact CG1-CG 3.59Å
96V98.1Very high97.2Very high4 Ų420.4 Ų20.42%0.02411%0.108CC..EExtended strand (participates in β ladder)trans-106.9131.3178.2-1790000111L89 Q120 V121 L125 V130 V133L89-V96 CarbonylContact O-C 3.42Å; L89-V96 VanDerWaalsContact O-CA 3.3Å; L89-V96 WeakPolarHBondContact O-CA 3.48Å; V96-Q120 CarbonylContact O-C 3.38Å; V96-Q120 WeakPolarHBondContact O-CA 3.43Å; V96-V121 HydrophobicContact CB-CB 4.38Å; V96-V121 HydrophobicContact CB-CG2 4.44Å; V96-V121 HydrophobicContact CG1-CB 4.37Å; V96-V121 HydrophobicContact CG1-CG2 3.95Å; V96-V121 PolarHBondContact O-N 2.92Å; V96-L125 HydrophobicContact CB-CD1 4.24Å; V96-L125 HydrophobicContact CG2-CD1 4.11Å; V96-V130 HydrophobicContact CG2-CB 3.68Å; V96-V130 HydrophobicContact CG2-CG1 3.68Å; V96-V130 HydrophobicContact CG2-CG2 3.58Å; V96-V133 HydrophobicContact CG1-CG1 4.42Å; V96-V133 HydrophobicContact CG2-CG1 4.42Å
97Y98.1Very high97.3Very high19 Ų1920.4 Ų20.48%0.07511%0.108CC..EExtended strand (participates in β ladder)trans-113144.9172.3-66-90.3000110.4L71 K74 L88 L89 T91 V95 P118 I119 Q120L71-Y97 HydrophobicContact CD2-CD1 3.91Å; L71-Y97 HydrophobicContact CD2-CD2 3.82Å; L71-Y97 HydrophobicContact CD2-CE1 4.26Å; L71-Y97 HydrophobicContact CD2-CE2 4.17Å; L71-Y97 HydrophobicContact CD2-CG 3.69Å; K74-Y97 HydrophobicContact CD-CE2 3.7Å; K74-Y97 WeakPolarHBondContact CE-OH 3.08Å; K74-Y97 PolarHBondContact NZ-OH 2.92Å; L88-Y97 WeakPolarHBondContact CA-O 3.36Å; L89-Y97 HydrophobicContact CD2-CD2 4.11Å; L89-Y97 PolarHBondContact N-O 3.18Å; L89-Y97 PolarHBondContact O-N 3.22Å; T91-Y97 HydrophobicContact CG2-CD2 4.31Å; T91-Y97 HydrophobicContact CG2-CE2 4.07Å; V95-Y97 HydrophobicContact CB-CE2 4.15Å; V95-Y97 HydrophobicContact CG1-CD2 4.26Å; V95-Y97 HydrophobicContact CG1-CE2 3.57Å; Y97-P118 HydrophobicContact CD1-CB 4.27Å; Y97-I119 CarbonylContact C-O 3.6Å; Y97-I119 VanDerWaalsContact CA-O 3.26Å; Y97-I119 WeakPolarHBondContact CA-O 3.43Å; Y97-Q120 HydrophobicContact CD1-CB 4.25Å; Y97-Q120 HydrophobicContact CE1-CB 3.93Å
98A98.1Very high97.2Very high0 Ų020.3 Ų20.30%011%0.107CC..EExtended strand (participates in β ladder)trans-137.5145.517700000111.2V87 L88 L107 I119 V121V87-A98 VanDerWaalsContact O-CA 3.27Å; V87-A98 WeakPolarHBondContact O-CA 3.49Å; L88-A98 HydrophobicContact CD2-CB 3.55Å; A98-L107 HydrophobicContact CB-CB 4.14Å; A98-L107 HydrophobicContact CB-CD2 3.98Å; A98-I119 PolarHBondContact N-O 2.79Å; A98-I119 WeakPolarHBondContact O-CG2 3.49Å; A98-I119 PolarHBondContact O-N 3.34Å; A98-V121 HydrophobicContact CB-CG2 3.79Å
99W98.1Very high97.1Very high0 Ų022.5 Ų22.50%012%0.119CC..EExtended strand (participates in β ladder)trans-160.1176.1169.864.197.2000111.5L35 C53 G55 L71 H86 V87 L89 L107 A117 P118L35-W99 HydrophobicContact CD1-CH2 4.27Å; L35-W99 HydrophobicContact CD1-CZ2 4.07Å; C53-W99 PolarHBondContact O-NE1 3.35Å; G55-W99 VanDerWaalsContact CA-CD1 3.49Å; L71-W99 HydrophobicContact CD1-CH2 3.89Å; L71-W99 HydrophobicContact CD1-CZ3 4.06Å; H86-W99 CarbonylContact C-O 3.51Å; H86-W99 WeakPolarHBondContact CA-O 3.46Å; H86-W99 WeakPolarHBondContact CB-O 3.39Å; V87-W99 HydrophobicContact CB-CD2 4Å; V87-W99 HydrophobicContact CB-CE3 4.39Å; V87-W99 HydrophobicContact CB-CH2 4.06Å; V87-W99 HydrophobicContact CB-CZ2 3.62Å; V87-W99 HydrophobicContact CB-CZ3 4.42Å; V87-W99 HydrophobicContact CG1-CH2 3.5Å; V87-W99 VanDerWaalsContact CG1-CH2 3.5Å; V87-W99 HydrophobicContact CG1-CZ2 3.38Å; V87-W99 HydrophobicContact CG1-CZ3 4.11Å; V87-W99 HydrophobicContact CG2-CZ2 4.1Å; V87-W99 PolarHBondContact N-O 2.96Å; V87-W99 PolarHBondContact O-N 3.45Å; V87-W99 VanDerWaalsContact O-N 3.12Å; L89-W99 HydrophobicContact CB-CH2 4.02Å; L89-W99 HydrophobicContact CB-CZ3 3.91Å; L89-W99 HydrophobicContact CD1-CH2 4.05Å; W99-L107 VanDerWaalsContact C-CD2 3.49Å; W99-L107 VanDerWaalsContact O-CD2 3.31Å; W99-L107 WeakPolarHBondContact O-CD2 3.46Å; W99-A117 WeakPolarHBondContact CB-O 3.27Å; W99-P118 HydrophobicContact CD2-CB 4.26Å; W99-P118 HydrophobicContact CD2-CG 3.91Å; W99-P118 HydrophobicContact CE3-CB 3.65Å; W99-P118 HydrophobicContact CE3-CG 3.73Å; W99-P118 HydrophobicContact CG-CG 4.45Å; W99-P118 HydrophobicContact CH2-CG 4.48Å; W99-P118 HydrophobicContact CZ3-CB 4.01Å; W99-P118 HydrophobicContact CZ3-CG 4.04Å
100G97.4Very high97Very high0 Ų024.7 Ų24.70%014%0.141CC..EExtended strand (participates in β ladder)trans98.1-142.4-177.900000113.2S51 G115S51-G100 CarbonylContact O-C 3.58Å; S51-G100 WeakPolarHBondContact O-CA 3.48Å; G100-G115 WeakPolarHBondContact CA-O 3.43Å; G100-G115 PolarHBondContact N-O 3.09Å; G100-G115 PolarHBondContact O-N 3.18Å
101H96.9Very high96.9Very high37 Ų3727.2 Ų27.217%0.17116%0.157CC..  trans-63.8139.3-177.5-172.155.6000111.6S51 P85 H86 Q106 Q114 H138S51-H101 PolarHBondContact O-N 3Å; P85-H101 WeakPolarHBondContact O-CA 3.33Å; P85-H101 WeakPolarHBondContact O-CB 3.17Å; P85-H101 PolarHBondContact O-N 3.16Å; H86-H101 WeakPolarHBondContact CB-O 3.35Å; H101-Q106 PolarHBondContact CD2-NE2 3.24Å; H101-Q106 WeakPolarHBondContact O-CG 3.33Å; H101-Q106 PolarHBondContact O-NE2 3.16Å; H101-Q114 PolarHBondContact ND1-OE1 2.9Å; H101-Q114 VanDerWaalsContact ND1-OE1 3.17Å; H101-H138 AromaticContact CD2-CE1 3.86Å; H101-H138 AromaticContact CD2-ND1 3.66Å
102N97.4Very high96.8Very high0 Ų031 Ų310%018%0.18CC..  trans-137.917.9179-157.826.3000115.9Y104 S105 Q106 L107 N109 T111 T112 N113N102-Y104 PolarHBondContact O-N 3.47Å; N102-S105 PolarHBondContact O-N 2.96Å; N102-S105 WeakPolarHBondContact OD1-CA 3.46Å; N102-Q106 PolarHBondContact OD1-N 2.94Å; N102-L107 HydrophobicContact CB-CB 4.46Å; N102-L107 HydrophobicContact CB-CD1 3.66Å; N102-L107 HydrophobicContact CB-CG 3.68Å; N102-L107 VanDerWaalsContact CG-CG 3.43Å; N102-L107 WeakPolarHBondContact OD1-CB 3.38Å; N102-L107 WeakPolarHBondContact OD1-CG 3.45Å; N102-L107 PolarHBondContact OD1-N 3.33Å; N102-N109 PolarHBondContact ND2-OD1 3.12Å; N102-T111 PolarHBondContact ND2-O 3.43Å; N102-T111 VanDerWaalsContact ND2-O 3.16Å; N102-T111 PolarHBondContact ND2-OG1 3.49Å; N102-T112 CarbonylContact O-C 3.42Å; N102-T112 VanDerWaalsContact O-CA 3.24Å; N102-T112 WeakPolarHBondContact O-CA 3.41Å; N102-N113 WeakPolarHBondContact CB-O 3.36Å; N102-N113 PolarHBondContact ND2-N 3.08Å; N102-N113 PolarHBondContact ND2-O 2.76Å
103G97.1Very high96.8Very high33 Ų3331.6 Ų31.634%0.3419%0.187SC..THydrogen-bonded Turntrans-58.2-20.6-174.400000115.5
104Y97Very high96.9Very high88 Ų8830.8 Ų30.835%0.34518%0.179SC..THydrogen-bonded Turntrans-119.419178.9-54.3-77000112.8N102 Q106 H138 G153 Y154N102-Y104 PolarHBondContact O-N 3.47Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 VanDerWaalsContact C-OE1 3.29Å; Y104-Q106 PolarHBondContact O-N 3.26Å; Y104-H138 HydrophobicContact CD2-CB 3.72Å; Y104-H138 AromaticContact CD2-CG 3.59Å; Y104-H138 AromaticContact CD2-ND1 3.55Å; Y104-H138 HydrophobicContact CE2-CB 4.43Å; Y104-H138 AromaticContact CE2-CE1 3.84Å; Y104-H138 AromaticContact CE2-CG 3.88Å; Y104-H138 AromaticContact CE2-ND1 3.76Å; Y104-H138 HydrophobicContact CG-CB 4.33Å; Y104-G153 CarbonylContact O-C 3.2Å; Y104-G153 VanDerWaalsContact O-CA 3.23Å; Y104-G153 WeakPolarHBondContact O-CA 3.47Å; Y104-Y154 AromaticContact CD1-CD2 3.42Å; Y104-Y154 HydrophobicContact CD1-CD2 3.42Å; Y104-Y154 VanDerWaalsContact CD1-CD2 3.42Å; Y104-Y154 AromaticContact CD1-CE2 3.92Å; Y104-Y154 HydrophobicContact CD1-CE2 3.92Å; Y104-Y154 HydrophobicContact CD1-CG 4.29Å; Y104-Y154 HydrophobicContact CD2-CD2 4.5Å; Y104-Y154 AromaticContact CE1-CD2 3.89Å; Y104-Y154 HydrophobicContact CE1-CD2 3.89Å; Y104-Y154 AromaticContact CE1-CE2 3.92Å; Y104-Y154 HydrophobicContact CE1-CE2 3.92Å; Y104-Y154 AromaticContact CG-CD2 3.76Å; Y104-Y154 HydrophobicContact CG-CD2 3.76Å; Y104-Y154 HydrophobicContact CG-CG 4.19Å; Y104-Y154 PolarHBondContact O-N 3.03Å
105S96.9Very high96.9Very high9 Ų931 Ų316%0.06318%0.182CC..SBendtrans65.125.5-178.1-540000115.8N102 L107 G108 T111 T112 P169N102-S105 PolarHBondContact O-N 2.96Å; N102-S105 WeakPolarHBondContact OD1-CA 3.46Å; S105-L107 PolarHBondContact O-N 2.91Å; S105-L107 VanDerWaalsContact O-N 3.13Å; S105-G108 PolarHBondContact O-N 3.25Å; S105-T111 WeakPolarHBondContact CB-O 3.41Å; S105-T111 PolarHBondContact OG-O 3.37Å; S105-T112 WeakPolarHBondContact OG-CG2 3.23Å; S105-P169 VanDerWaalsContact CB-CA 3.49Å
106Q97.3Very high96.8Very high0 Ų033.8 Ų33.80%020%0.195CC..THydrogen-bonded Turntrans-62.4-12.917659.4-9127.100114.4H86 H101 N102 Y104 G108 H138 S140 W152H86-Q106 HydrophobicContact CB-CG 4.01Å; H101-Q106 PolarHBondContact CD2-NE2 3.24Å; H101-Q106 WeakPolarHBondContact O-CG 3.33Å; H101-Q106 PolarHBondContact O-NE2 3.16Å; N102-Q106 PolarHBondContact OD1-N 2.94Å; Y104-Q106 VanDerWaalsContact C-N 3.32Å; Y104-Q106 VanDerWaalsContact C-OE1 3.29Å; Y104-Q106 PolarHBondContact O-N 3.26Å; Q106-G108 VanDerWaalsContact C-N 3.31Å; Q106-H138 WeakPolarHBondContact CB-O 3.43Å; Q106-S140 PolarHBondContact O-OG 3.48Å; Q106-W152 PolarHBondContact O-NE1 2.79Å
107L97.7Very high96.7Very high0 Ų035.6 Ų35.60%021%0.211CC..THydrogen-bonded Turntrans-80.7-11.3172.1-55.6-172.4000113.3H86 A98 W99 N102 S105 N109H86-L107 HydrophobicContact CB-CD2 3.99Å; A98-L107 HydrophobicContact CB-CB 4.14Å; A98-L107 HydrophobicContact CB-CD2 3.98Å; W99-L107 VanDerWaalsContact C-CD2 3.49Å; W99-L107 VanDerWaalsContact O-CD2 3.31Å; W99-L107 WeakPolarHBondContact O-CD2 3.46Å; N102-L107 HydrophobicContact CB-CB 4.46Å; N102-L107 HydrophobicContact CB-CD1 3.66Å; N102-L107 HydrophobicContact CB-CG 3.68Å; N102-L107 VanDerWaalsContact CG-CG 3.43Å; N102-L107 WeakPolarHBondContact OD1-CB 3.38Å; N102-L107 WeakPolarHBondContact OD1-CG 3.45Å; N102-L107 PolarHBondContact OD1-N 3.33Å; S105-L107 PolarHBondContact O-N 2.91Å; S105-L107 VanDerWaalsContact O-N 3.13Å; L107-N109 PolarHBondContact O-N 2.91Å; L107-N109 VanDerWaalsContact O-N 3.17Å
108G96.8Very high96.7Very high0 Ų036.2 Ų36.20%022%0.217CC..  trans68.415.8173.300000115S105 Q106 W152 P169 P171S105-G108 PolarHBondContact O-N 3.25Å; Q106-G108 VanDerWaalsContact C-N 3.31Å; G108-W152 VanDerWaalsContact N-CD1 3.33Å; G108-P169 CarbonylContact C-O 3.14Å; G108-P169 WeakPolarHBondContact CA-O 3.4Å; G108-P171 VanDerWaalsContact O-CD 3.28Å; G108-P171 WeakPolarHBondContact O-CD 3.46Å
109N95.3Very high96.6Very high45 Ų4539.8 Ų39.824%0.24124%0.235CC..SBendtrans-96.213.5-174.368.44.1000113.9N102 L107 T111N102-N109 PolarHBondContact ND2-OD1 3.12Å; L107-N109 PolarHBondContact O-N 2.91Å; L107-N109 VanDerWaalsContact O-N 3.17Å; N109-T111 VanDerWaalsContact C-N 3.27Å; N109-T111 PolarHBondContact O-N 3.3Å; N109-T111 PolarHBondContact OD1-N 2.95Å; N109-T111 VanDerWaalsContact OD1-N 3.08Å; N109-T111 PolarHBondContact OD1-OG1 2.84Å
110G95.6Very high96.5Very high46 Ų4643.3 Ų43.347%0.47425%0.251SS..SBendtrans79.52.7-179.200000115P169G110-P169 WeakPolarHBondContact CA-O 3.36Å; G110-P169 PolarHBondContact N-O 3.44Å
111T95.4Very high96.4Very high53 Ų5343.4 Ų43.433%0.32525%0.252SS..SBendtrans-127.6178.4-176.778.30000112.1N102 S105 N109 N113N102-T111 PolarHBondContact ND2-O 3.43Å; N102-T111 VanDerWaalsContact ND2-O 3.16Å; N102-T111 PolarHBondContact ND2-OG1 3.49Å; S105-T111 WeakPolarHBondContact CB-O 3.41Å; S105-T111 PolarHBondContact OG-O 3.37Å; N109-T111 VanDerWaalsContact C-N 3.27Å; N109-T111 PolarHBondContact O-N 3.3Å; N109-T111 PolarHBondContact OD1-N 2.95Å; N109-T111 VanDerWaalsContact OD1-N 3.08Å; N109-T111 PolarHBondContact OD1-OG1 2.84Å; T111-N113 PolarHBondContact OG1-N 2.83Å
112T96.6Very high95.6Very high80 Ų8045 Ų4549%0.49127%0.266SS..  trans-115.712.8168.651.40000112.5N102 S105N102-T112 CarbonylContact O-C 3.42Å; N102-T112 VanDerWaalsContact O-CA 3.24Å; N102-T112 WeakPolarHBondContact O-CA 3.41Å; S105-T112 WeakPolarHBondContact OG-CG2 3.23Å
113N95.9Very high95Very high113 Ų11347 Ų4760%0.60428%0.279SS*.  trans-77.8137-178.9-67.7-21.4000110.7N102 T111N102-N113 WeakPolarHBondContact CB-O 3.36Å; N102-N113 PolarHBondContact ND2-N 3.08Å; N102-N113 PolarHBondContact ND2-O 2.76Å; T111-N113 PolarHBondContact OG1-N 2.83Å
114Q95.4Very high94.6Very high87 Ų8749.7 Ų49.741%0.40729%0.285SS..  trans-58.4139.5177.6-49.7-58.3-22.700110.8H101H101-Q114 PolarHBondContact ND1-OE1 2.9Å; H101-Q114 VanDerWaalsContact ND1-OE1 3.17Å
115G95.9Very high94.5Very high9 Ų945.8 Ų45.89%0.09327%0.271CS..EExtended strand (participates in β ladder)trans-93.9104.4177.200000110.7G100 A117G100-G115 WeakPolarHBondContact CA-O 3.43Å; G100-G115 PolarHBondContact N-O 3.09Å; G100-G115 PolarHBondContact O-N 3.18Å; G115-A117 VanDerWaalsContact C-N 3.33Å
116I96.1Very high94.1Very high87 Ų8750 Ų5045%0.44629%0.292SS..EExtended strand (participates in β ladder)trans-80.9-14.2179.464.3176.4000113.7N52 G55 T56 G57N52-I116 HydrophobicContact CB-CB 4.42Å; N52-I116 HydrophobicContact CB-CG2 4.22Å; G55-I116 CarbonylContact C-O 3.59Å; G55-I116 VanDerWaalsContact CA-O 3.3Å; G55-I116 WeakPolarHBondContact CA-O 3.49Å; T56-I116 PolarHBondContact N-O 3.21Å; G57-I116 WeakPolarHBondContact CA-O 3.32Å; G57-I116 PolarHBondContact N-O 2.85Å
117A96.5Very high93.7Very high42 Ų4257.2 Ų57.235%0.34733%0.329SS..EExtended strand (participates in β ladder)trans-145.7156178.500000110.2G55 W99 G115 I119G55-A117 WeakPolarHBondContact O-CA 3.31Å; W99-A117 WeakPolarHBondContact CB-O 3.27Å; G115-A117 VanDerWaalsContact C-N 3.33Å; A117-I119 PolarHBondContact O-N 3.43Å; A117-I119 VanDerWaalsContact O-N 3.17Å
118P97.3Very high93.6Very high32 Ų3259 Ų5921%0.20834%0.336CS..EExtended strand (participates in β ladder)trans-53118.9175.6-26.333.8000112G55 L68 L71 Y97 W99G55-P118 VanDerWaalsContact O-CD 3.24Å; G55-P118 WeakPolarHBondContact O-CD 3.39Å; L68-P118 HydrophobicContact CD1-CG 4.34Å; L71-P118 HydrophobicContact CD1-CB 4.03Å; L71-P118 HydrophobicContact CD1-CG 3.66Å; L71-P118 HydrophobicContact CD2-CB 4.08Å; L71-P118 HydrophobicContact CG-CB 4.03Å; L71-P118 HydrophobicContact CG-CG 3.95Å; Y97-P118 HydrophobicContact CD1-CB 4.27Å; W99-P118 HydrophobicContact CD2-CB 4.26Å; W99-P118 HydrophobicContact CD2-CG 3.91Å; W99-P118 HydrophobicContact CE3-CB 3.65Å; W99-P118 HydrophobicContact CE3-CG 3.73Å; W99-P118 HydrophobicContact CG-CG 4.45Å; W99-P118 HydrophobicContact CH2-CG 4.48Å; W99-P118 HydrophobicContact CZ3-CB 4.01Å; W99-P118 HydrophobicContact CZ3-CG 4.04Å
119I95.7Very high93.5Very high75 Ų7563 Ų6339%0.38536%0.355SS..EExtended strand (participates in β ladder)trans-110.8137.2172-165.6173.2000110Y97 A98 A117Y97-I119 CarbonylContact C-O 3.6Å; Y97-I119 VanDerWaalsContact CA-O 3.26Å; Y97-I119 WeakPolarHBondContact CA-O 3.43Å; A98-I119 PolarHBondContact N-O 2.79Å; A98-I119 WeakPolarHBondContact O-CG2 3.49Å; A98-I119 PolarHBondContact O-N 3.34Å; A117-I119 PolarHBondContact O-N 3.43Å; A117-I119 VanDerWaalsContact O-N 3.17Å
120Q95.8Very high93.7Very high73 Ų7360.8 Ų60.834%0.34134%0.344SS..EExtended strand (participates in β ladder)trans-68.3134.2172.2-174.4178.6-600110.5V95 V96 Y97 C122V95-Q120 HydrophobicContact CG1-CG 3.59Å; V96-Q120 CarbonylContact O-C 3.38Å; V96-Q120 WeakPolarHBondContact O-CA 3.43Å; Y97-Q120 HydrophobicContact CD1-CB 4.25Å; Y97-Q120 HydrophobicContact CE1-CB 3.93Å; Q120-C122 VanDerWaalsContact CG-SG 3.54Å; Q120-C122 PolarHBondContact O-N 3.17Å; Q120-C122 PolarHBondContact O-SG 3.45Å
121V95.9Very high93.8Very high3 Ų360.3 Ų60.32%0.01833%0.332CS..  trans-82.383.2178.3-173.90000109.7V96 A98 T123 L125 P171V96-V121 HydrophobicContact CB-CB 4.38Å; V96-V121 HydrophobicContact CB-CG2 4.44Å; V96-V121 HydrophobicContact CG1-CB 4.37Å; V96-V121 HydrophobicContact CG1-CG2 3.95Å; V96-V121 PolarHBondContact O-N 2.92Å; A98-V121 HydrophobicContact CB-CG2 3.79Å; V121-T123 PolarHBondContact O-N 3.23Å; V121-T123 VanDerWaalsContact O-N 3.09Å; V121-L125 HydrophobicContact CB-CD1 4.44Å; V121-L125 HydrophobicContact CG1-CD1 4.08Å; V121-P171 HydrophobicContact CG1-CG 3.49Å; V121-P171 VanDerWaalsContact CG1-CG 3.49Å
122C79.2Confident93.9Very high69 Ų6960.4 Ų60.447%0.46633%0.328SS..  trans-85.155.4-168.6-64.10000115.4Q120 L126Q120-C122 VanDerWaalsContact CG-SG 3.54Å; Q120-C122 PolarHBondContact O-N 3.17Å; Q120-C122 PolarHBondContact O-SG 3.45Å; C122-L126 VanDerWaalsContact C-CD1 3.49Å; C122-L126 HydrophobicContact CB-CD1 4.05Å; C122-L126 HydrophobicContact CB-CD2 4.18Å; C122-L126 HydrophobicContact CB-CG 4.32Å; C122-L126 WeakPolarHBondContact O-CD1 3.37Å
123T86.4Confident94Very high44 Ų4456.9 Ų56.927%0.2731%0.306SS..SBendtrans-129.4-130.1-178.662.80000112.7V121 L125 L126 T170 P171V121-T123 PolarHBondContact O-N 3.23Å; V121-T123 VanDerWaalsContact O-N 3.09Å; T123-L125 PolarHBondContact O-N 3.42Å; T123-L126 WeakPolarHBondContact O-CB 3.46Å; T123-L126 PolarHBondContact O-N 3.06Å; T123-T170 HydrophobicContact CG2-CG2 3.87Å; T123-P171 VanDerWaalsContact OG1-CD 3.24Å; T123-P171 WeakPolarHBondContact OG1-CD 3.37Å; T123-P171 WeakPolarHBondContact OG1-CG 3.16Å
124N88.5Confident94.1Very high88 Ų8851.9 Ų51.947%0.47128%0.281SS..THydrogen-bonded Turntrans-61.7-12.3-179.6-66.1-35.2000113.5F150 P171N124-F150 HydrophobicContact CB-CD1 4.19Å; N124-F150 HydrophobicContact CB-CE1 3.81Å; N124-P171 PolarHBondContact ND2-O 3.17Å
125L93.4Very high94.3Very high7 Ų747.8 Ų47.84%0.03726%0.262CS..THydrogen-bonded Turntrans-83.5-16.5174.8-61.1-179.4000113.7V96 V121 T123 I127 K128 V130 A142 F150 W152 P171V96-L125 HydrophobicContact CB-CD1 4.24Å; V96-L125 HydrophobicContact CG2-CD1 4.11Å; V121-L125 HydrophobicContact CB-CD1 4.44Å; V121-L125 HydrophobicContact CG1-CD1 4.08Å; T123-L125 PolarHBondContact O-N 3.42Å; L125-I127 PolarHBondContact O-N 3.04Å; L125-I127 VanDerWaalsContact O-N 3.16Å; L125-K128 PolarHBondContact O-N 3.24Å; L125-V130 HydrophobicContact CD2-CG2 4.14Å; L125-A142 HydrophobicContact CD1-CB 4.3Å; L125-A142 HydrophobicContact CD2-CB 4.23Å; L125-F150 HydrophobicContact CD2-CB 3.84Å; L125-F150 HydrophobicContact CD2-CD1 4.09Å; L125-F150 HydrophobicContact CD2-CD2 3.7Å; L125-F150 HydrophobicContact CD2-CE2 4.31Å; L125-F150 HydrophobicContact CD2-CG 3.59Å; L125-W152 HydrophobicContact CD1-CH2 3.9Å; L125-W152 HydrophobicContact CD1-CZ3 4.04Å; L125-P171 HydrophobicContact CD1-CB 4.03Å; L125-P171 HydrophobicContact CD1-CG 3.71Å; L125-P171 HydrophobicContact CD2-CB 4.33Å; L125-P171 HydrophobicContact CG-CB 3.82Å; L125-P171 HydrophobicContact CG-CG 3.91Å
126L88.6Confident94.3Very high98 Ų9847.4 Ų47.451%0.51326%0.258SS..THydrogen-bonded Turntrans-60.6-29.2-176.1-77.6172.9000114C122 T123C122-L126 VanDerWaalsContact C-CD1 3.49Å; C122-L126 HydrophobicContact CB-CD1 4.05Å; C122-L126 HydrophobicContact CB-CD2 4.18Å; C122-L126 HydrophobicContact CB-CG 4.32Å; C122-L126 WeakPolarHBondContact O-CD1 3.37Å; T123-L126 WeakPolarHBondContact O-CB 3.46Å; T123-L126 PolarHBondContact O-N 3.06Å
127I89.8Confident94.3Very high150 Ų15043.6 Ų43.677%0.76924%0.239SC*.THydrogen-bonded Turntrans-96.610.1-179.962.5168.3000112.4L125L125-I127 PolarHBondContact O-N 3.04Å; L125-I127 VanDerWaalsContact O-N 3.16Å
128K94.8Very high94.3Very high37 Ų3743.6 Ų43.616%0.16123%0.232CC..SBendtrans-118.8142.9-173.5-64.9-58.8-172.2175.10111.1L125 V130 A144 D146 E148 F150L125-K128 PolarHBondContact O-N 3.24Å; K128-V130 PolarHBondContact O-N 3.05Å; K128-A144 HydrophobicContact CB-CB 4.06Å; K128-A144 HydrophobicContact CD-CB 4.27Å; K128-A144 HydrophobicContact CG-CB 4.37Å; K128-D146 IonicContact NZ-OD2 3.13Å; K128-D146 PolarHBondContact NZ-OD2 3.19Å; K128-E148 WeakPolarHBondContact CE-OE2 3.28Å; K128-E148 IonicContact NZ-OE1 2.63Å; K128-E148 PolarHBondContact NZ-OE1 3.22Å; K128-E148 IonicContact NZ-OE2 2.72Å; K128-E148 PolarHBondContact NZ-OE2 3.02Å; K128-F150 HydrophobicContact CD-CE2 4.48Å; K128-F150 HydrophobicContact CG-CE2 4.03Å; K128-F150 HydrophobicContact CG-CZ 4.11Å
129Q96.5Very high94.4Very high84 Ų8442.1 Ų42.139%0.39322%0.222SC..  trans-86.891.2168.5-173.566.318.100108.8E92 D93 A144 A145E92-Q129 PolarHBondContact O-NE2 3.26Å; D93-Q129 VanDerWaalsContact C-NE2 3.25Å; D93-Q129 PolarHBondContact O-OE1 2.92Å; D93-Q129 VanDerWaalsContact O-OE1 3.08Å; Q129-A144 CarbonylContact O-C 3.56Å; Q129-A144 WeakPolarHBondContact O-CA 3.34Å; Q129-A145 HydrophobicContact CB-CB 3.98Å; Q129-A145 HydrophobicContact CG-CB 4.06Å; Q129-A145 PolarHBondContact O-N 2.89Å
130V98.1Very high94.5Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-71134.5177.7179.80000110.4G94 V96 L125 K128 V133 A142G94-V130 WeakPolarHBondContact CA-O 3.32Å; G94-V130 WeakPolarHBondContact O-CB 3.44Å; G94-V130 PolarHBondContact O-N 3.42Å; V96-V130 HydrophobicContact CG2-CB 3.68Å; V96-V130 HydrophobicContact CG2-CG1 3.68Å; V96-V130 HydrophobicContact CG2-CG2 3.58Å; L125-V130 HydrophobicContact CD2-CG2 4.14Å; K128-V130 PolarHBondContact O-N 3.05Å; V130-V133 HydrophobicContact CG1-CG1 4.06Å; V130-A142 HydrophobicContact CG1-CB 3.98Å; V130-A142 HydrophobicContact CG2-CB 4.38Å
131V97.8Very high94.7Very high36 Ų3635 Ų3522%0.21819%0.187CC..EExtended strand (participates in β ladder)trans-116.5-22.3-177.6-580000113.5K77 L143 A145K77-V131 WeakPolarHBondContact CE-O 3.48Å; K77-V131 VanDerWaalsContact NZ-CG1 3.3Å; V131-L143 HydrophobicContact CG2-CB 4.49Å; V131-L143 HydrophobicContact CG2-CD2 4.27Å; V131-L143 HydrophobicContact CG2-CG 4.03Å; V131-L143 WeakPolarHBondContact CG2-O 3.07Å; V131-L143 PolarHBondContact N-O 2.89Å; V131-A145 HydrophobicContact CG1-CB 3.62Å
132E98.4Very high94.8Very high54 Ų5434.9 Ų34.925%0.25219%0.186SC..EExtended strand (participates in β ladder)trans-151.4143.8-178-176.3-175169.300109.9A142 L143 I186E132-A142 WeakPolarHBondContact O-CA 3.41Å; E132-L143 HydrophobicContact CB-CB 4.15Å; E132-L143 HydrophobicContact CB-CD2 4.46Å; E132-L143 PolarHBondContact N-O 3.48Å; E132-L143 PolarHBondContact O-N 3.12Å; E132-I186 HydrophobicContact CG-CD1 4.34Å; E132-I186 HydrophobicContact CG-CG1 3.94Å; E132-I186 WeakPolarHBondContact OE1-CG1 3.26Å; E132-I186 PolarHBondContact OE1-N 3.12Å
133V98.7Very high95.7Very high6 Ų631.8 Ų31.84%0.03617%0.165CC..EExtended strand (participates in β ladder)trans-126.2146173.6-68.20000109.9S78 S80 L88 V96 V130 M141 A142S78-V133 PolarHBondContact OG-N 3.13Å; S80-V133 WeakPolarHBondContact CB-O 3.42Å; L88-V133 HydrophobicContact CB-CB 4.05Å; L88-V133 HydrophobicContact CB-CG1 4.43Å; L88-V133 HydrophobicContact CB-CG2 4.07Å; L88-V133 HydrophobicContact CD1-CB 4.34Å; V96-V133 HydrophobicContact CG1-CG1 4.42Å; V96-V133 HydrophobicContact CG2-CG1 4.42Å; V130-V133 HydrophobicContact CG1-CG1 4.06Å; V133-M141 WeakPolarHBondContact CA-O 3.46Å; V133-A142 HydrophobicContact CG1-CB 4.42Å
134A98.4Very high96.2Very high8 Ų829.8 Ų29.87%0.06615%0.153CC..EExtended strand (participates in β ladder)trans-140.5142.6176.500000110.8M141 I186 C188A134-M141 HydrophobicContact CB-CB 4.38Å; A134-M141 PolarHBondContact N-O 2.97Å; A134-M141 PolarHBondContact O-N 3.36Å; A134-I186 HydrophobicContact CB-CD1 3.92Å; A134-I186 HydrophobicContact CB-CG1 4.15Å; A134-C188 HydrophobicContact CB-CB 4.39Å
135C98.2Very high96.6Very high2 Ų227.6 Ų27.61%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-125.2135.4-179.1-58.90000110.2S80 Y81 L88 H139 C188S80-C135 WeakPolarHBondContact OG-CB 3.49Å; S80-C135 PolarHBondContact OG-N 3.39Å; Y81-C135 VanDerWaalsContact O-CB 3.27Å; Y81-C135 WeakPolarHBondContact O-CB 3.16Å; L88-C135 WeakPolarHBondContact CD1-SG 3.45Å; L88-C135 WeakPolarHBondContact CG-SG 3.38Å; C135-H139 WeakPolarHBondContact CA-O 3.47Å; C135-C188 VanDerWaalsContact O-CB 3.26Å; C135-C188 WeakPolarHBondContact O-CB 3.33Å
136G97.2Very high96.7Very high0 Ų030.7 Ų30.70%016%0.164CC..  trans-94.4-149.5161.800000110.7G82 H139 G189G82-G136 WeakPolarHBondContact CA-O 3.44Å; G136-H139 PolarHBondContact N-O 3.17Å; G136-G189 WeakPolarHBondContact CA-O 3.33Å
137S95.4Very high97.1Very high8 Ų826.2 Ų26.26%0.05614%0.141CC..SBendtrans-63.3-55.1178.665.50000112.4S83 G84 Q190S83-S137 WeakPolarHBondContact OG-CA 3.37Å; S83-S137 WeakPolarHBondContact OG-CB 3.4Å; G84-S137 CarbonylContact C-O 3.59Å; G84-S137 WeakPolarHBondContact CA-O 3.48Å; G84-S137 PolarHBondContact N-O 3.03Å; S137-Q190 WeakPolarHBondContact CB-O 3.45Å; S137-Q190 VanDerWaalsContact CB-OE1 3.3Å; S137-Q190 PolarHBondContact N-O 3.21Å; S137-Q190 PolarHBondContact OG-O 3.01Å
138H97Very high97.4Very high42 Ų4221.1 Ų21.119%0.19411%0.114CC..SBendtrans-137.623.2-175.1-60.6-77000112.2G84 H101 Y104 Q106 Y154G84-H138 WeakPolarHBondContact CA-CE1 3.47Å; G84-H138 WeakPolarHBondContact CA-ND1 3.34Å; H101-H138 AromaticContact CD2-CE1 3.86Å; H101-H138 AromaticContact CD2-ND1 3.66Å; Y104-H138 HydrophobicContact CD2-CB 3.72Å; Y104-H138 AromaticContact CD2-CG 3.59Å; Y104-H138 AromaticContact CD2-ND1 3.55Å; Y104-H138 HydrophobicContact CE2-CB 4.43Å; Y104-H138 AromaticContact CE2-CE1 3.84Å; Y104-H138 AromaticContact CE2-CG 3.88Å; Y104-H138 AromaticContact CE2-ND1 3.76Å; Y104-H138 HydrophobicContact CG-CB 4.33Å; Q106-H138 WeakPolarHBondContact CB-O 3.43Å; H138-Y154 HydrophobicContact CB-CD1 4.44Å; H138-Y154 HydrophobicContact CB-CG 4.2Å; H138-Y154 WeakPolarHBondContact O-CB 3.2Å; H138-Y154 PolarHBondContact O-N 3.44Å
139H98.4Very high97.5Very high0 Ų019.6 Ų19.60%011%0.107CC..EExtended strand (participates in β ladder)trans-136159.217777.9-74.7000110.1C135 G136 W152 Q159 S193C135-H139 WeakPolarHBondContact CA-O 3.47Å; G136-H139 PolarHBondContact N-O 3.17Å; H139-W152 WeakPolarHBondContact CA-O 3.3Å; H139-W152 WeakPolarHBondContact CB-O 3.33Å; H139-Q159 HydrophobicContact CB-CG 3.99Å; H139-S193 PolarHBondContact NE2-OG 3.22Å; H139-S193 VanDerWaalsContact NE2-OG 3.07Å
140S98.6Very high97.6Very high0 Ų015.9 Ų15.90%09%0.09CC..EExtended strand (participates in β ladder)trans-135.1144.7-167.3-63.50000109.7H86 L88 Q106 A151 W152H86-S140 PolarHBondContact NE2-OG 3.39Å; H86-S140 VanDerWaalsContact NE2-OG 3.1Å; L88-S140 VanDerWaalsContact CD1-CB 3.44Å; Q106-S140 PolarHBondContact O-OG 3.48Å; S140-A151 CarbonylContact O-C 3.17Å; S140-A151 WeakPolarHBondContact O-CA 3.12Å; S140-W152 VanDerWaalsContact CB-NE1 3.31Å; S140-W152 PolarHBondContact N-O 2.85Å; S140-W152 PolarHBondContact O-N 3.44Å
141M98.6Very high97.6Very high0 Ų015.9 Ų15.90%09%0.09CC..EExtended strand (participates in β ladder)trans-133.2147.1176.2-69179.759.900110.7V133 A134 V149 F150 A151 I186 C188 S193 W205V133-M141 WeakPolarHBondContact CA-O 3.46Å; A134-M141 HydrophobicContact CB-CB 4.38Å; A134-M141 PolarHBondContact N-O 2.97Å; A134-M141 PolarHBondContact O-N 3.36Å; M141-V149 HydrophobicContact CE-CG1 3.62Å; M141-F150 CarbonylContact C-O 3.52Å; M141-F150 VanDerWaalsContact CA-O 3.23Å; M141-F150 WeakPolarHBondContact CA-O 3.43Å; M141-A151 HydrophobicContact CG-CB 3.97Å; M141-I186 HydrophobicContact CB-CD1 3.91Å; M141-I186 HydrophobicContact CE-CB 3.87Å; M141-I186 HydrophobicContact CE-CG2 3.74Å; M141-C188 PolarHBondContact SD-SG 2.92Å; M141-S193 WeakPolarHBondContact SD-CB 3.15Å; M141-S193 PolarHBondContact SD-OG 3.42Å; M141-W205 HydrophobicContact CE-CH2 3.79Å; M141-W205 HydrophobicContact CE-CZ2 3.57Å; M141-W205 HydrophobicContact SD-CZ2 4.11Å
142A98.5Very high97.6Very high0 Ų014.2 Ų14.20%08%0.08CC..EExtended strand (participates in β ladder)trans-134137.6170.400000109.8L125 V130 E132 V133 V149 F150 W152L125-A142 HydrophobicContact CD1-CB 4.3Å; L125-A142 HydrophobicContact CD2-CB 4.23Å; V130-A142 HydrophobicContact CG1-CB 3.98Å; V130-A142 HydrophobicContact CG2-CB 4.38Å; E132-A142 WeakPolarHBondContact O-CA 3.41Å; V133-A142 HydrophobicContact CG1-CB 4.42Å; A142-V149 WeakPolarHBondContact O-CA 3.17Å; A142-F150 PolarHBondContact N-O 2.93Å; A142-F150 PolarHBondContact O-N 3.33Å; A142-W152 HydrophobicContact CB-CH2 3.97Å; A142-W152 HydrophobicContact CB-CZ3 3.92Å
143L98.4Very high97.6Very high4 Ų411.6 Ų11.62%0.0217%0.068CC..EExtended strand (participates in β ladder)trans-106.6124.1172.2174.361.4000109V131 E132 V149 V183 I186V131-L143 HydrophobicContact CG2-CB 4.49Å; V131-L143 HydrophobicContact CG2-CD2 4.27Å; V131-L143 HydrophobicContact CG2-CG 4.03Å; V131-L143 WeakPolarHBondContact CG2-O 3.07Å; V131-L143 PolarHBondContact N-O 2.89Å; E132-L143 HydrophobicContact CB-CB 4.15Å; E132-L143 HydrophobicContact CB-CD2 4.46Å; E132-L143 PolarHBondContact N-O 3.48Å; E132-L143 PolarHBondContact O-N 3.12Å; L143-V149 HydrophobicContact CD1-CG2 3.93Å; L143-V183 HydrophobicContact CD1-CB 3.73Å; L143-V183 HydrophobicContact CD1-CG1 3.74Å; L143-V183 HydrophobicContact CD2-CG1 4.32Å; L143-I186 HydrophobicContact CB-CD1 3.9Å; L143-I186 HydrophobicContact CB-CG1 4.13Å; L143-I186 HydrophobicContact CB-CG2 4.22Å
144A97.4Very high97.6Very high2 Ų213.6 Ų13.62%0.0178%0.075CC..EExtended strand (participates in β ladder)trans-88.2156.2173.400000111.7K128 Q129 D146 G147 E148K128-A144 HydrophobicContact CB-CB 4.06Å; K128-A144 HydrophobicContact CD-CB 4.27Å; K128-A144 HydrophobicContact CG-CB 4.37Å; Q129-A144 CarbonylContact O-C 3.56Å; Q129-A144 WeakPolarHBondContact O-CA 3.34Å; A144-D146 WeakPolarHBondContact CB-OD1 3.46Å; A144-D146 PolarHBondContact O-N 3.41Å; A144-G147 WeakPolarHBondContact O-CA 3.42Å; A144-G147 PolarHBondContact O-N 2.88Å; A144-E148 HydrophobicContact CB-CB 4.45Å; A144-E148 PolarHBondContact N-O 3.41Å
145A96.8Very high97.6Very high41 Ų4113.2 Ų13.234%0.3397%0.072SC..THydrogen-bonded Turntrans-61.8-24.6-177.300000113.9Q129 V131 G147 R182Q129-A145 HydrophobicContact CB-CB 3.98Å; Q129-A145 HydrophobicContact CG-CB 4.06Å; Q129-A145 PolarHBondContact O-N 2.89Å; V131-A145 HydrophobicContact CG1-CB 3.62Å; A145-G147 PolarHBondContact O-N 3.4Å; A145-R182 PolarHBondContact O-NH1 3.46Å; A145-R182 PolarHBondContact O-NH2 3.2Å; A145-R182 VanDerWaalsContact O-NH2 3.1Å
146D95.4Very high97.6Very high73 Ų7317.3 Ų17.339%0.399%0.094SC..THydrogen-bonded Turntrans-76.2-6.7173.659.75.6000112.9K128 A144 E148 R182K128-D146 IonicContact NZ-OD2 3.13Å; K128-D146 PolarHBondContact NZ-OD2 3.19Å; A144-D146 WeakPolarHBondContact CB-OD1 3.46Å; A144-D146 PolarHBondContact O-N 3.41Å; D146-E148 WeakPolarHBondContact OD1-CB 3.25Å; D146-E148 WeakPolarHBondContact OD1-CG 3.31Å; D146-E148 PolarHBondContact OD1-N 2.91Å; D146-R182 VanDerWaalsContact C-NH1 3.35Å; D146-R182 PolarHBondContact O-NH1 3.39Å
147G96.3Very high97.6Very high3 Ų318.4 Ų18.43%0.03110%0.101CC..SBendtrans92.15.818000000113.8A144 A145 V183A144-G147 WeakPolarHBondContact O-CA 3.42Å; A144-G147 PolarHBondContact O-N 2.88Å; A145-G147 PolarHBondContact O-N 3.4Å; G147-V183 WeakPolarHBondContact CA-O 3.37Å; G147-V183 WeakPolarHBondContact O-CB 3.49Å; G147-V183 PolarHBondContact O-N 2.94Å
148E96.6Very high97.7Very high44 Ų4418 Ų1821%0.20610%0.098CC..  trans-77.1136.3175.4-65.1-173.717100111.9K128 A144 D146 F150 K173K128-E148 WeakPolarHBondContact CE-OE2 3.28Å; K128-E148 IonicContact NZ-OE1 2.63Å; K128-E148 PolarHBondContact NZ-OE1 3.22Å; K128-E148 IonicContact NZ-OE2 2.72Å; K128-E148 PolarHBondContact NZ-OE2 3.02Å; A144-E148 HydrophobicContact CB-CB 4.45Å; A144-E148 PolarHBondContact N-O 3.41Å; D146-E148 WeakPolarHBondContact OD1-CB 3.25Å; D146-E148 WeakPolarHBondContact OD1-CG 3.31Å; D146-E148 PolarHBondContact OD1-N 2.91Å; E148-F150 HydrophobicContact CB-CE2 3.85Å; E148-K173 VanDerWaalsContact CD-CE 3.41Å; E148-K173 WeakPolarHBondContact OE1-CE 3.36Å; E148-K173 IonicContact OE1-NZ 3.08Å; E148-K173 PolarHBondContact OE1-NZ 2.88Å; E148-K173 IonicContact OE2-NZ 3.86Å
149V97.7Very high97.8Very high4 Ų416 Ų162%0.0249%0.089CC..EExtended strand (participates in β ladder)trans-105.4134.3176.8177.20000110.1M141 A142 L143 K173 V174 V183 I186M141-V149 HydrophobicContact CE-CG1 3.62Å; A142-V149 WeakPolarHBondContact O-CA 3.17Å; L143-V149 HydrophobicContact CD1-CG2 3.93Å; V149-K173 WeakPolarHBondContact O-CA 3.49Å; V149-V174 HydrophobicContact CB-CB 4.4Å; V149-V174 HydrophobicContact CB-CG2 4.41Å; V149-V174 HydrophobicContact CG1-CB 4.4Å; V149-V174 HydrophobicContact CG1-CG2 3.93Å; V149-V174 PolarHBondContact O-N 2.73Å; V149-V183 HydrophobicContact CG2-CB 3.76Å; V149-V183 HydrophobicContact CG2-CG1 3.69Å; V149-V183 HydrophobicContact CG2-CG2 3.64Å; V149-I186 HydrophobicContact CG1-CG2 4.4Å; V149-I186 HydrophobicContact CG2-CG2 3.92Å
150F97.9Very high97.7Very high7 Ų716.1 Ų16.13%0.0319%0.089CC..EExtended strand (participates in β ladder)trans-118.1141.5172.8-65.7-100.3000109.4N124 L125 K128 M141 A142 E148 W152 P171 R172 K173N124-F150 HydrophobicContact CB-CD1 4.19Å; N124-F150 HydrophobicContact CB-CE1 3.81Å; L125-F150 HydrophobicContact CD2-CB 3.84Å; L125-F150 HydrophobicContact CD2-CD1 4.09Å; L125-F150 HydrophobicContact CD2-CD2 3.7Å; L125-F150 HydrophobicContact CD2-CE2 4.31Å; L125-F150 HydrophobicContact CD2-CG 3.59Å; K128-F150 HydrophobicContact CD-CE2 4.48Å; K128-F150 HydrophobicContact CG-CE2 4.03Å; K128-F150 HydrophobicContact CG-CZ 4.11Å; M141-F150 CarbonylContact C-O 3.52Å; M141-F150 VanDerWaalsContact CA-O 3.23Å; M141-F150 WeakPolarHBondContact CA-O 3.43Å; A142-F150 PolarHBondContact N-O 2.93Å; A142-F150 PolarHBondContact O-N 3.33Å; E148-F150 HydrophobicContact CB-CE2 3.85Å; F150-W152 HydrophobicContact CB-CZ3 4.33Å; F150-P171 HydrophobicContact CB-CB 4.27Å; F150-P171 HydrophobicContact CD1-CB 4.4Å; F150-R172 CarbonylContact C-O 3.53Å; F150-R172 VanDerWaalsContact CA-O 3.28Å; F150-R172 WeakPolarHBondContact CA-O 3.42Å; F150-K173 HydrophobicContact CD1-CB 4.05Å; F150-K173 HydrophobicContact CE1-CB 3.67Å; F150-K173 HydrophobicContact CE1-CG 4.35Å; F150-K173 HydrophobicContact CZ-CB 4.14Å; F150-K173 HydrophobicContact CZ-CG 4.32Å
151A98.1Very high97.7Very high0 Ų016.2 Ų16.20%09%0.091CC..EExtended strand (participates in β ladder)trans-139.8149.9176.800000111.5S140 M141 V160 R172 V174S140-A151 CarbonylContact O-C 3.17Å; S140-A151 WeakPolarHBondContact O-CA 3.12Å; M141-A151 HydrophobicContact CG-CB 3.97Å; A151-V160 HydrophobicContact CB-CB 4.38Å; A151-V160 HydrophobicContact CB-CG1 3.82Å; A151-V160 WeakPolarHBondContact O-CG1 3.49Å; A151-R172 PolarHBondContact N-O 2.76Å; A151-R172 PolarHBondContact O-N 3.16Å; A151-V174 HydrophobicContact CB-CG2 3.96Å
152W98.5Very high97.5Very high0 Ų017.6 Ų17.60%010%0.1CC..EExtended strand (participates in β ladder)trans-157.6175.6179.364.192.2000112.7L88 Q106 G108 L125 H139 S140 A142 F150 Q168 T170 P171L88-W152 HydrophobicContact CD1-CH2 4.25Å; L88-W152 HydrophobicContact CD1-CZ2 3.91Å; L88-W152 HydrophobicContact CD2-CZ2 3.89Å; Q106-W152 PolarHBondContact O-NE1 2.79Å; G108-W152 VanDerWaalsContact N-CD1 3.33Å; L125-W152 HydrophobicContact CD1-CH2 3.9Å; L125-W152 HydrophobicContact CD1-CZ3 4.04Å; H139-W152 WeakPolarHBondContact CA-O 3.3Å; H139-W152 WeakPolarHBondContact CB-O 3.33Å; S140-W152 VanDerWaalsContact CB-NE1 3.31Å; S140-W152 PolarHBondContact N-O 2.85Å; S140-W152 PolarHBondContact O-N 3.44Å; A142-W152 HydrophobicContact CB-CH2 3.97Å; A142-W152 HydrophobicContact CB-CZ3 3.92Å; F150-W152 HydrophobicContact CB-CZ3 4.33Å; W152-Q168 HydrophobicContact CB-CB 4.29Å; W152-Q168 WeakPolarHBondContact CB-O 3.25Å; W152-T170 WeakPolarHBondContact CB-O 3.16Å; W152-P171 HydrophobicContact CD2-CB 4.19Å; W152-P171 HydrophobicContact CD2-CG 3.8Å; W152-P171 HydrophobicContact CE3-CB 3.61Å; W152-P171 HydrophobicContact CE3-CG 3.65Å; W152-P171 HydrophobicContact CG-CG 4.39Å; W152-P171 HydrophobicContact CH2-CG 4.35Å; W152-P171 HydrophobicContact CZ2-CG 4.48Å; W152-P171 HydrophobicContact CZ3-CB 3.97Å; W152-P171 HydrophobicContact CZ3-CG 3.94Å
153G98.2Very high97.4Very high0 Ų019.7 Ų19.70%012%0.122CC..EExtended strand (participates in β ladder)trans95.1-146.4-178.300000113.7Y104 N167 Q168Y104-G153 CarbonylContact O-C 3.2Å; Y104-G153 VanDerWaalsContact O-CA 3.23Å; Y104-G153 WeakPolarHBondContact O-CA 3.47Å; G153-N167 CarbonylContact O-C 3.21Å; G153-N167 VanDerWaalsContact O-CA 3.26Å; G153-N167 WeakPolarHBondContact O-CA 3.5Å; G153-N167 WeakPolarHBondContact O-CB 3.19Å; G153-Q168 PolarHBondContact N-O 2.72Å; G153-Q168 PolarHBondContact O-N 2.84Å
154Y98.2Very high97.3Very high48 Ų4821.8 Ų21.819%0.18814%0.137CC..  trans-62.2133.8-177.8-172.9-122000112.3Y104 H138 N156 Q159 N167Y104-Y154 AromaticContact CD1-CD2 3.42Å; Y104-Y154 HydrophobicContact CD1-CD2 3.42Å; Y104-Y154 VanDerWaalsContact CD1-CD2 3.42Å; Y104-Y154 AromaticContact CD1-CE2 3.92Å; Y104-Y154 HydrophobicContact CD1-CE2 3.92Å; Y104-Y154 HydrophobicContact CD1-CG 4.29Å; Y104-Y154 HydrophobicContact CD2-CD2 4.5Å; Y104-Y154 AromaticContact CE1-CD2 3.89Å; Y104-Y154 HydrophobicContact CE1-CD2 3.89Å; Y104-Y154 AromaticContact CE1-CE2 3.92Å; Y104-Y154 HydrophobicContact CE1-CE2 3.92Å; Y104-Y154 AromaticContact CG-CD2 3.76Å; Y104-Y154 HydrophobicContact CG-CD2 3.76Å; Y104-Y154 HydrophobicContact CG-CG 4.19Å; Y104-Y154 PolarHBondContact O-N 3.03Å; H138-Y154 HydrophobicContact CB-CD1 4.44Å; H138-Y154 HydrophobicContact CB-CG 4.2Å; H138-Y154 WeakPolarHBondContact O-CB 3.2Å; H138-Y154 PolarHBondContact O-N 3.44Å; Y154-N156 HydrophobicContact CE1-CB 4.12Å; Y154-N156 HydrophobicContact CE2-CB 3.93Å; Y154-N156 WeakPolarHBondContact CE2-ND2 3.4Å; Y154-N156 VanDerWaalsContact CZ-CG 3.47Å; Y154-N156 WeakPolarHBondContact OH-CB 3.39Å; Y154-N156 VanDerWaalsContact OH-CG 3.29Å; Y154-N156 PolarHBondContact OH-ND2 3.25Å; Y154-Q159 WeakPolarHBondContact O-CG 3.41Å; Y154-Q159 PolarHBondContact O-NE2 3.16Å; Y154-N167 WeakPolarHBondContact CA-OD1 3.43Å; Y154-N167 WeakPolarHBondContact CD2-OD1 3.13Å
155N98.1Very high97.3Very high0 Ų025.1 Ų25.10%016%0.157CC..  trans-139.314.8-170.7-165.534.6000115.5C157 G158 Q159 V160 S162 S164 T165 A166 N167N155-C157 PolarHBondContact O-N 3.11Å; N155-G158 PolarHBondContact O-N 2.77Å; N155-G158 WeakPolarHBondContact OD1-CA 3.48Å; N155-Q159 PolarHBondContact OD1-N 2.9Å; N155-V160 HydrophobicContact CB-CB 4.21Å; N155-V160 HydrophobicContact CB-CG2 3.71Å; N155-V160 WeakPolarHBondContact OD1-CB 3.35Å; N155-V160 PolarHBondContact OD1-N 3.38Å; N155-S162 PolarHBondContact ND2-OG 2.68Å; N155-S164 PolarHBondContact ND2-O 3.36Å; N155-T165 CarbonylContact C-O 3.43Å; N155-T165 VanDerWaalsContact C-O 3.31Å; N155-T165 CarbonylContact O-C 3.58Å; N155-T165 VanDerWaalsContact O-CA 3.25Å; N155-T165 WeakPolarHBondContact O-CA 3.4Å; N155-A166 VanDerWaalsContact CB-O 3.26Å; N155-A166 WeakPolarHBondContact CB-O 3.21Å; N155-A166 PolarHBondContact ND2-O 3.41Å; N155-N167 PolarHBondContact N-OD1 3.11Å
156N98.1Very high97.3Very high88 Ų8825.6 Ų25.647%0.47116%0.161SC..THydrogen-bonded Turntrans-59.1-22-174.3-75.613000114.7Y154Y154-N156 HydrophobicContact CE1-CB 4.12Å; Y154-N156 HydrophobicContact CE2-CB 3.93Å; Y154-N156 WeakPolarHBondContact CE2-ND2 3.4Å; Y154-N156 VanDerWaalsContact CZ-CG 3.47Å; Y154-N156 WeakPolarHBondContact OH-CB 3.39Å; Y154-N156 VanDerWaalsContact OH-CG 3.29Å; Y154-N156 PolarHBondContact OH-ND2 3.25Å
157C98.1Very high97.4Very high22 Ų2225 Ų2515%0.14916%0.158CC..THydrogen-bonded Turntrans-104.12.1176.4-62.30000113.1N155 G206 Y207N155-C157 PolarHBondContact O-N 3.11Å; C157-G206 CarbonylContact O-C 3.58Å; C157-G206 VanDerWaalsContact O-CA 3.3Å; C157-G206 WeakPolarHBondContact O-CA 3.39Å; C157-Y207 HydrophobicContact CB-CD2 4.36Å; C157-Y207 HydrophobicContact CB-CG 4.48Å
158G97.8Very high97.5Very high0 Ų026.2 Ų26.20%016%0.163CC..SBendtrans87.113.2-176.800000115N155 V160 G161N155-G158 PolarHBondContact O-N 2.77Å; N155-G158 WeakPolarHBondContact OD1-CA 3.48Å; G158-V160 PolarHBondContact O-N 3.06Å; G158-V160 VanDerWaalsContact O-N 3.12Å; G158-G161 WeakPolarHBondContact O-CA 3.24Å; G158-G161 PolarHBondContact O-N 3.47Å
159Q97.8Very high97.5Very high0 Ų026.7 Ų26.70%017%0.17CC..THydrogen-bonded Turntrans-63.9-14-17661.1-95.554.300114.5H139 Y154 N155 G161 T191 S193 W205H139-Q159 HydrophobicContact CB-CG 3.99Å; Y154-Q159 WeakPolarHBondContact O-CG 3.41Å; Y154-Q159 PolarHBondContact O-NE2 3.16Å; N155-Q159 PolarHBondContact OD1-N 2.9Å; Q159-G161 VanDerWaalsContact C-N 3.32Å; Q159-T191 WeakPolarHBondContact CB-O 3.32Å; Q159-S193 PolarHBondContact O-OG 3.37Å; Q159-W205 VanDerWaalsContact O-CD1 3.31Å; Q159-W205 PolarHBondContact O-NE1 3.4Å
160V97.5Very high97.5Very high2 Ų228.7 Ų28.71%0.01218%0.182CC..THydrogen-bonded Turntrans-81.3-15.2170.4-179.10000111.9A151 N155 G158 S162 Q168A151-V160 HydrophobicContact CB-CB 4.38Å; A151-V160 HydrophobicContact CB-CG1 3.82Å; A151-V160 WeakPolarHBondContact O-CG1 3.49Å; N155-V160 HydrophobicContact CB-CB 4.21Å; N155-V160 HydrophobicContact CB-CG2 3.71Å; N155-V160 WeakPolarHBondContact OD1-CB 3.35Å; N155-V160 PolarHBondContact OD1-N 3.38Å; G158-V160 PolarHBondContact O-N 3.06Å; G158-V160 VanDerWaalsContact O-N 3.12Å; V160-S162 VanDerWaalsContact C-N 3.31Å; V160-S162 PolarHBondContact O-N 2.96Å; V160-Q168 HydrophobicContact CB-CG 4.21Å; V160-Q168 HydrophobicContact CG1-CB 4.05Å; V160-Q168 HydrophobicContact CG1-CG 3.53Å; V160-Q168 HydrophobicContact CG2-CG 4.37Å
161G96.9Very high97.4Very high3 Ų328.4 Ų28.43%0.03118%0.181CC..  trans73.520.4175.800000114.1G158 Q159 W205 L222G158-G161 WeakPolarHBondContact O-CA 3.24Å; G158-G161 PolarHBondContact O-N 3.47Å; Q159-G161 VanDerWaalsContact C-N 3.32Å; G161-W205 VanDerWaalsContact CA-CD1 3.45Å; G161-L222 CarbonylContact C-O 3.49Å; G161-L222 VanDerWaalsContact CA-O 3.31Å; G161-L222 WeakPolarHBondContact CA-O 3.43Å
162S95.1Very high97.3Very high28 Ų2833.7 Ų33.720%0.19620%0.201CC..SBendtrans-86.6-1.8-172.371.50000115N155 V160 S164 L222N155-S162 PolarHBondContact ND2-OG 2.68Å; V160-S162 VanDerWaalsContact C-N 3.31Å; V160-S162 PolarHBondContact O-N 2.96Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 2.97Å; S162-S164 PolarHBondContact OG-N 3.08Å; S162-L222 PolarHBondContact N-O 3.31Å
163G95.9Very high97.1Very high44 Ų4436 Ų3645%0.45421%0.211SC..SBendtrans74.813.3-170.500000114.2L222G163-L222 WeakPolarHBondContact CA-O 3.1Å; G163-L222 PolarHBondContact N-O 3.15Å
164S95.9Very high97Very high48 Ų4836.2 Ų36.234%0.33621%0.212SC..SBendtrans-136167.4179.9179.30000109.4N155 S162 A166N155-S164 PolarHBondContact ND2-O 3.36Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 2.97Å; S162-S164 PolarHBondContact OG-N 3.08Å; S164-A166 PolarHBondContact OG-N 3.02Å; S164-A166 VanDerWaalsContact OG-N 3.14Å
165T97.6Very high96.1Very high73 Ų7337.1 Ų37.145%0.44822%0.223SC..SBendtrans-102.60.4170.653.10000113.2N155 L222N155-T165 CarbonylContact C-O 3.43Å; N155-T165 VanDerWaalsContact C-O 3.31Å; N155-T165 CarbonylContact O-C 3.58Å; N155-T165 VanDerWaalsContact O-CA 3.25Å; N155-T165 WeakPolarHBondContact O-CA 3.4Å; T165-L222 HydrophobicContact CG2-CD1 4.44Å; T165-L222 HydrophobicContact CG2-CD2 3.75Å
166A97.8Very high95.1Very high51 Ų5141.6 Ų41.642%0.42125%0.247SC..SBendtrans-75.6134.5178.900000111.5N155 S164 Q168N155-A166 VanDerWaalsContact CB-O 3.26Å; N155-A166 WeakPolarHBondContact CB-O 3.21Å; N155-A166 PolarHBondContact ND2-O 3.41Å; S164-A166 PolarHBondContact OG-N 3.02Å; S164-A166 VanDerWaalsContact OG-N 3.14Å; A166-Q168 PolarHBondContact O-NE2 2.65Å; A166-Q168 VanDerWaalsContact O-NE2 3.13Å
167N97.7Very high94.4Very high60 Ų6039.8 Ų39.832%0.32124%0.24SC..  trans-54.5144.8173.9-63-16.7000110.6G153 Y154 N155G153-N167 CarbonylContact O-C 3.21Å; G153-N167 VanDerWaalsContact O-CA 3.26Å; G153-N167 WeakPolarHBondContact O-CA 3.5Å; G153-N167 WeakPolarHBondContact O-CB 3.19Å; Y154-N167 WeakPolarHBondContact CA-OD1 3.43Å; Y154-N167 WeakPolarHBondContact CD2-OD1 3.13Å; N155-N167 PolarHBondContact N-OD1 3.11Å
168Q97.4Very high93.9Very high28 Ų2839.1 Ų39.113%0.13124%0.235CC..EExtended strand (participates in β ladder)trans-108.9112180-66.5-56.1-56.900109.4W152 G153 V160 A166 T170W152-Q168 HydrophobicContact CB-CB 4.29Å; W152-Q168 WeakPolarHBondContact CB-O 3.25Å; G153-Q168 PolarHBondContact N-O 2.72Å; G153-Q168 PolarHBondContact O-N 2.84Å; V160-Q168 HydrophobicContact CB-CG 4.21Å; V160-Q168 HydrophobicContact CG1-CB 4.05Å; V160-Q168 HydrophobicContact CG1-CG 3.53Å; V160-Q168 HydrophobicContact CG2-CG 4.37Å; A166-Q168 PolarHBondContact O-NE2 2.65Å; A166-Q168 VanDerWaalsContact O-NE2 3.13Å; Q168-T170 VanDerWaalsContact C-N 3.26Å; Q168-T170 PolarHBondContact O-N 2.69Å
169P96.8Very high92.8Very high54 Ų5444.3 Ų44.335%0.35126%0.259SS..EExtended strand (participates in β ladder)trans-77.6-11.1-174.130.9-36.2000114.5S105 G108 G110S105-P169 VanDerWaalsContact CB-CA 3.49Å; G108-P169 CarbonylContact C-O 3.14Å; G108-P169 WeakPolarHBondContact CA-O 3.4Å; G110-P169 WeakPolarHBondContact CA-O 3.36Å; G110-P169 PolarHBondContact N-O 3.44Å
170T97.1Very high92Very high47 Ų4751.8 Ų51.829%0.28830%0.298SS..EExtended strand (participates in β ladder)trans-137.9152.2178.556.80000110T123 W152 Q168 R172T123-T170 HydrophobicContact CG2-CG2 3.87Å; W152-T170 WeakPolarHBondContact CB-O 3.16Å; Q168-T170 VanDerWaalsContact C-N 3.26Å; Q168-T170 PolarHBondContact O-N 2.69Å; T170-R172 PolarHBondContact O-N 3.5Å; T170-R172 VanDerWaalsContact O-N 3.17Å
171P97.4Very high91.7Very high0 Ų054.6 Ų54.60%031%0.31CS..EExtended strand (participates in β ladder)trans-46.1117.9173.5-29.529.4000113.2G108 V121 T123 N124 L125 F150 W152G108-P171 VanDerWaalsContact O-CD 3.28Å; G108-P171 WeakPolarHBondContact O-CD 3.46Å; V121-P171 HydrophobicContact CG1-CG 3.49Å; V121-P171 VanDerWaalsContact CG1-CG 3.49Å; T123-P171 VanDerWaalsContact OG1-CD 3.24Å; T123-P171 WeakPolarHBondContact OG1-CD 3.37Å; T123-P171 WeakPolarHBondContact OG1-CG 3.16Å; N124-P171 PolarHBondContact ND2-O 3.17Å; L125-P171 HydrophobicContact CD1-CB 4.03Å; L125-P171 HydrophobicContact CD1-CG 3.71Å; L125-P171 HydrophobicContact CD2-CB 4.33Å; L125-P171 HydrophobicContact CG-CB 3.82Å; L125-P171 HydrophobicContact CG-CG 3.91Å; F150-P171 HydrophobicContact CB-CB 4.27Å; F150-P171 HydrophobicContact CD1-CB 4.4Å; W152-P171 HydrophobicContact CD2-CB 4.19Å; W152-P171 HydrophobicContact CD2-CG 3.8Å; W152-P171 HydrophobicContact CE3-CB 3.61Å; W152-P171 HydrophobicContact CE3-CG 3.65Å; W152-P171 HydrophobicContact CG-CG 4.39Å; W152-P171 HydrophobicContact CH2-CG 4.35Å; W152-P171 HydrophobicContact CZ2-CG 4.48Å; W152-P171 HydrophobicContact CZ3-CB 3.97Å; W152-P171 HydrophobicContact CZ3-CG 3.94Å
172R95.2Very high91.6Very high112 Ų11260 Ų6042%0.42333%0.329SS..EExtended strand (participates in β ladder)trans-111.9129.3177.3-176.3-179.6-178.7111.61.4110F150 A151 T170 V174F150-R172 CarbonylContact C-O 3.53Å; F150-R172 VanDerWaalsContact CA-O 3.28Å; F150-R172 WeakPolarHBondContact CA-O 3.42Å; A151-R172 PolarHBondContact N-O 2.76Å; A151-R172 PolarHBondContact O-N 3.16Å; T170-R172 PolarHBondContact O-N 3.5Å; T170-R172 VanDerWaalsContact O-N 3.17Å; R172-V174 PolarHBondContact O-N 3.2Å
173K94.9Very high91.7Very high48 Ų4858.9 Ų58.921%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-60.6129.6172.9-173.5175.6174.5177.30109.9E148 V149 F150 T175E148-K173 VanDerWaalsContact CD-CE 3.41Å; E148-K173 WeakPolarHBondContact OE1-CE 3.36Å; E148-K173 IonicContact OE1-NZ 3.08Å; E148-K173 PolarHBondContact OE1-NZ 2.88Å; E148-K173 IonicContact OE2-NZ 3.86Å; V149-K173 WeakPolarHBondContact O-CA 3.49Å; F150-K173 HydrophobicContact CD1-CB 4.05Å; F150-K173 HydrophobicContact CE1-CB 3.67Å; F150-K173 HydrophobicContact CE1-CG 4.35Å; F150-K173 HydrophobicContact CZ-CB 4.14Å; F150-K173 HydrophobicContact CZ-CG 4.32Å; K173-T175 HydrophobicContact CB-CG2 4.09Å; K173-T175 HydrophobicContact CD-CG2 3.92Å; K173-T175 HydrophobicContact CG-CG2 3.8Å; K173-T175 PolarHBondContact O-N 2.94Å; K173-T175 VanDerWaalsContact O-N 3.15Å
174V95.2Very high91.8Very high5 Ų560 Ų603%0.0332%0.319CS..  trans-81.990.9175.8-174.90000107.9V149 A151 R172 L178 P224V149-V174 HydrophobicContact CB-CB 4.4Å; V149-V174 HydrophobicContact CB-CG2 4.41Å; V149-V174 HydrophobicContact CG1-CB 4.4Å; V149-V174 HydrophobicContact CG1-CG2 3.93Å; V149-V174 PolarHBondContact O-N 2.73Å; A151-V174 HydrophobicContact CB-CG2 3.96Å; R172-V174 PolarHBondContact O-N 3.2Å; V174-L178 HydrophobicContact CG1-CD1 3.98Å; V174-P224 HydrophobicContact CG1-CG 3.4Å
175T78.9Confident91.9Very high67 Ų6758.1 Ų58.141%0.41131%0.307SS..  trans-88.1-31.6-166.1480000115.3K173 H179K173-T175 HydrophobicContact CB-CG2 4.09Å; K173-T175 HydrophobicContact CD-CG2 3.92Å; K173-T175 HydrophobicContact CG-CG2 3.8Å; K173-T175 PolarHBondContact O-N 2.94Å; K173-T175 VanDerWaalsContact O-N 3.15Å; T175-H179 WeakPolarHBondContact O-CA 2.98Å; T175-H179 WeakPolarHBondContact O-CB 3.46Å; T175-H179 PolarHBondContact O-N 3.23Å
176N77.9Confident92Very high93 Ų9355 Ų5550%0.49729%0.288SS..THydrogen-bonded Turntrans-55.8-98.8-165.4-166.32.3000115.6L178 H179 T223N176-L178 PolarHBondContact O-N 3.06Å; N176-H179 PolarHBondContact O-N 3.1Å; N176-T223 HydrophobicContact CB-CG2 4.33Å; N176-T223 WeakPolarHBondContact ND2-CB 3.07Å; N176-T223 PolarHBondContact ND2-OG1 2.81Å
177C83.1Confident92Very high50 Ų5053 Ų5334%0.33827%0.272SS..THydrogen-bonded Turntrans-71.9-2.1-176.8-59.60000114.1K181 Y203 P224C177-K181 WeakPolarHBondContact O-CD 3.22Å; C177-Y203 HydrophobicContact CB-CD1 4.12Å; C177-Y203 HydrophobicContact CB-CE1 3.61Å; C177-P224 HydrophobicContact CB-CB 4.4Å; C177-P224 PolarHBondContact SG-O 3.06Å
178L88.3Confident92Very high8 Ų850.6 Ų50.64%0.04226%0.259CS..THydrogen-bonded Turntrans-110.6-5-175.7-60.3179.7000113.5V174 N176 I180 K181 V183 A195 L197 Y203 W205 P224V174-L178 HydrophobicContact CG1-CD1 3.98Å; N176-L178 PolarHBondContact O-N 3.06Å; L178-I180 PolarHBondContact O-N 3.38Å; L178-K181 PolarHBondContact O-N 3.2Å; L178-V183 HydrophobicContact CD1-CG2 4.39Å; L178-V183 HydrophobicContact CD2-CG2 4.29Å; L178-A195 HydrophobicContact CD1-CB 4.49Å; L178-L197 HydrophobicContact CD2-CD2 4.06Å; L178-Y203 HydrophobicContact CD2-CD1 4.22Å; L178-Y203 HydrophobicContact CD2-CD2 4.07Å; L178-Y203 HydrophobicContact CD2-CG 3.9Å; L178-W205 HydrophobicContact CD1-CH2 4.19Å; L178-W205 HydrophobicContact CD1-CZ3 4.17Å; L178-P224 HydrophobicContact CD1-CB 4.1Å; L178-P224 HydrophobicContact CD1-CG 3.8Å; L178-P224 HydrophobicContact CG-CB 4.06Å; L178-P224 HydrophobicContact CG-CG 4.06Å
179H74.9Confident92Very high109 Ų10949.3 Ų49.351%0.50525%0.254SS..THydrogen-bonded Turntrans-50.9-39.7-168.8-162.354.3000115.3T175 N176T175-H179 WeakPolarHBondContact O-CA 2.98Å; T175-H179 WeakPolarHBondContact O-CB 3.46Å; T175-H179 PolarHBondContact O-N 3.23Å; N176-H179 PolarHBondContact O-N 3.1Å
180I80.4Confident92Very high158 Ų15847.8 Ų47.881%0.8124%0.242SC*.THydrogen-bonded Turntrans-114.512-172.459.9169.7000111.9L178L178-I180 PolarHBondContact O-N 3.38Å
181K90.5Very high92Very high60 Ų6047 Ų4726%0.26124%0.237SC..  trans-109.9141.4-173.7-58-154.9175-159.30109.4C177 L178 V183 L197 E201 Y203C177-K181 WeakPolarHBondContact O-CD 3.22Å; L178-K181 PolarHBondContact O-N 3.2Å; K181-V183 PolarHBondContact O-N 2.91Å; K181-L197 HydrophobicContact CB-CD1 3.84Å; K181-L197 HydrophobicContact CB-CD2 3.98Å; K181-L197 HydrophobicContact CD-CD1 3.25Å; K181-L197 HydrophobicContact CG-CD1 4.16Å; K181-E201 IonicContact NZ-OE2 3.87Å; K181-E201 PolarHBondContact NZ-OE2 3.1Å; K181-Y203 HydrophobicContact CD-CE2 4.37Å; K181-Y203 PolarHBondContact NZ-OH 3.4Å
182R95.2Very high92.1Very high117 Ų11747 Ų4744%0.44224%0.237SC..  trans-91.2104.7177.8-179.4173.2178.172.55109.3A145 D146 V184 L197 D198A145-R182 PolarHBondContact O-NH1 3.46Å; A145-R182 PolarHBondContact O-NH2 3.2Å; A145-R182 VanDerWaalsContact O-NH2 3.1Å; D146-R182 VanDerWaalsContact C-NH1 3.35Å; D146-R182 PolarHBondContact O-NH1 3.39Å; R182-V184 HydrophobicContact CG-CG1 4.41Å; R182-L197 WeakPolarHBondContact O-CA 3.27Å; R182-D198 HydrophobicContact CB-CB 4.43Å; R182-D198 WeakPolarHBondContact CB-OD2 3.46Å; R182-D198 HydrophobicContact CG-CB 4.36Å; R182-D198 PolarHBondContact O-N 2.98Å
183V97.9Very high92.2Very high4 Ų441.7 Ų41.72%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-75.4138.5171.5-179.70000108.9L143 G147 V149 L178 K181 G185 I186 A195 V196 L197L143-V183 HydrophobicContact CD1-CB 3.73Å; L143-V183 HydrophobicContact CD1-CG1 3.74Å; L143-V183 HydrophobicContact CD2-CG1 4.32Å; G147-V183 WeakPolarHBondContact CA-O 3.37Å; G147-V183 WeakPolarHBondContact O-CB 3.49Å; G147-V183 PolarHBondContact O-N 2.94Å; V149-V183 HydrophobicContact CG2-CB 3.76Å; V149-V183 HydrophobicContact CG2-CG1 3.69Å; V149-V183 HydrophobicContact CG2-CG2 3.64Å; L178-V183 HydrophobicContact CD1-CG2 4.39Å; L178-V183 HydrophobicContact CD2-CG2 4.29Å; K181-V183 PolarHBondContact O-N 2.91Å; V183-G185 WeakPolarHBondContact CG1-O 3.38Å; V183-I186 HydrophobicContact CG1-CG2 3.94Å; V183-A195 HydrophobicContact CG1-CB 3.91Å; V183-A195 HydrophobicContact CG2-CB 4.3Å; V183-V196 WeakPolarHBondContact CA-O 3.37Å; V183-V196 WeakPolarHBondContact CG1-O 3.49Å; V183-L197 HydrophobicContact CB-CD2 4.26Å; V183-L197 HydrophobicContact CG2-CD2 3.54Å
184V97.7Very high92.4Very high68 Ų6839.4 Ų39.441%0.41221%0.207SC..EExtended strand (participates in β ladder)trans-122-8.2179.3-610000113.5R182 V196 L197 D198R182-V184 HydrophobicContact CG-CG1 4.41Å; V184-V196 HydrophobicContact CG2-CG1 4.12Å; V184-V196 PolarHBondContact N-O 2.88Å; V184-L197 WeakPolarHBondContact CG2-O 3.38Å; V184-D198 HydrophobicContact CG1-CB 3.59Å
185G98.2Very high92.6Very high9 Ų939.2 Ų39.29%0.09321%0.206CC..EExtended strand (participates in β ladder)trans-158.9150.7172.200000111.9V183 A195 V196V183-G185 WeakPolarHBondContact CG1-O 3.38Å; G185-A195 WeakPolarHBondContact O-CA 3.29Å; G185-V196 PolarHBondContact N-O 3.25Å; G185-V196 PolarHBondContact O-N 3.12Å
186I98.6Very high93.5Very high7 Ų736.1 Ų36.14%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-130.8151178.853.6167.9000110.6E132 A134 M141 L143 V149 V183 M194E132-I186 HydrophobicContact CG-CD1 4.34Å; E132-I186 HydrophobicContact CG-CG1 3.94Å; E132-I186 WeakPolarHBondContact OE1-CG1 3.26Å; E132-I186 PolarHBondContact OE1-N 3.12Å; A134-I186 HydrophobicContact CB-CD1 3.92Å; A134-I186 HydrophobicContact CB-CG1 4.15Å; M141-I186 HydrophobicContact CB-CD1 3.91Å; M141-I186 HydrophobicContact CE-CB 3.87Å; M141-I186 HydrophobicContact CE-CG2 3.74Å; L143-I186 HydrophobicContact CB-CD1 3.9Å; L143-I186 HydrophobicContact CB-CG1 4.13Å; L143-I186 HydrophobicContact CB-CG2 4.22Å; V149-I186 HydrophobicContact CG1-CG2 4.4Å; V149-I186 HydrophobicContact CG2-CG2 3.92Å; V183-I186 HydrophobicContact CG1-CG2 3.94Å; I186-M194 WeakPolarHBondContact CA-O 3.5Å
187A98.6Very high94.4Very high10 Ų1031.8 Ų31.88%0.08316%0.164CC..EExtended strand (participates in β ladder)trans-147.2146.9171.900000111M194 I238 C240A187-M194 HydrophobicContact CB-CB 4.34Å; A187-M194 PolarHBondContact N-O 2.83Å; A187-M194 PolarHBondContact O-N 3.04Å; A187-I238 HydrophobicContact CB-CG2 4.07Å; A187-C240 HydrophobicContact CB-CB 4.35Å
188C98.3Very high95Very high9 Ų933.9 Ų33.96%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-115.1129.4175.6-68.80000109.8A134 C135 M141 C240 H293A134-C188 HydrophobicContact CB-CB 4.39Å; C135-C188 VanDerWaalsContact O-CB 3.26Å; C135-C188 WeakPolarHBondContact O-CB 3.33Å; M141-C188 PolarHBondContact SD-SG 2.92Å; C188-C240 VanDerWaalsContact C-CB 3.41Å; C188-C240 VanDerWaalsContact O-CB 3.25Å; C188-C240 WeakPolarHBondContact O-CB 3.39Å; C188-H293 WeakPolarHBondContact O-CB 3.37Å
189G97.7Very high95.3Very high1 Ų137.7 Ų37.71%0.0119%0.192CC..  trans-81.6-168.2155.600000110G136 T191 S192G136-G189 WeakPolarHBondContact CA-O 3.33Å; G189-T191 PolarHBondContact O-N 3.47Å; G189-S192 PolarHBondContact N-O 3.23Å
190Q96.3Very high96.3Very high21 Ų2132.6 Ų32.610%0.09817%0.169CC..SBendtrans-56.6-49.5174.9-79.1-68.6-66.300112.4S83 S137 Y242 H293S83-Q190 VanDerWaalsContact OG-CD 3.22Å; S83-Q190 PolarHBondContact OG-NE2 3Å; S83-Q190 PolarHBondContact OG-OE1 3.19Å; S137-Q190 WeakPolarHBondContact CB-O 3.45Å; S137-Q190 VanDerWaalsContact CB-OE1 3.3Å; S137-Q190 PolarHBondContact N-O 3.21Å; S137-Q190 PolarHBondContact OG-O 3.01Å; Q190-Y242 WeakPolarHBondContact CB-O 3.35Å; Q190-Y242 HydrophobicContact CG-CD1 4.13Å; Q190-Y242 HydrophobicContact CG-CD2 3.42Å; Q190-Y242 VanDerWaalsContact CG-CD2 3.42Å; Q190-Y242 HydrophobicContact CG-CE1 4.17Å; Q190-Y242 HydrophobicContact CG-CE2 3.48Å; Q190-Y242 VanDerWaalsContact CG-CE2 3.48Å; Q190-Y242 HydrophobicContact CG-CG 3.76Å; Q190-Y242 VanDerWaalsContact CG-O 3.32Å; Q190-Y242 WeakPolarHBondContact CG-O 3.47Å; Q190-Y242 PolarHBondContact N-O 3.1Å; Q190-H293 WeakPolarHBondContact CG-O 3.32Å; Q190-H293 PolarHBondContact NE2-CD2 2.78Å; Q190-H293 PolarHBondContact NE2-O 3.44Å
191T97.3Very high97.2Very high30 Ų3026.6 Ų26.618%0.18414%0.137CC..SBendtrans-136.221.4-171.749.60000112.3Q159 G189 Y207Q159-T191 WeakPolarHBondContact CB-O 3.32Å; G189-T191 PolarHBondContact O-N 3.47Å; T191-Y207 VanDerWaalsContact O-CB 3.25Å; T191-Y207 WeakPolarHBondContact O-CB 3.27Å; T191-Y207 PolarHBondContact O-N 2.96Å; T191-Y207 WeakPolarHBondContact OG1-CB 3.36Å; T191-Y207 WeakPolarHBondContact OG1-CD1 3.48Å
192S98.3Very high97.5Very high2 Ų223.9 Ų23.91%0.01413%0.126CC..EExtended strand (participates in β ladder)trans-137.3157.6-18057.40000110.2G189 W205G189-S192 PolarHBondContact N-O 3.23Å; S192-W205 WeakPolarHBondContact CA-O 3.34Å
193S98.6Very high97.7Very high0 Ų019 Ų190%011%0.108CC..EExtended strand (participates in β ladder)trans-132.8145.4-177.1-57.20000110H139 M141 Q159 G204 W205H139-S193 PolarHBondContact NE2-OG 3.22Å; H139-S193 VanDerWaalsContact NE2-OG 3.07Å; M141-S193 WeakPolarHBondContact SD-CB 3.15Å; M141-S193 PolarHBondContact SD-OG 3.42Å; Q159-S193 PolarHBondContact O-OG 3.37Å; S193-G204 WeakPolarHBondContact O-CA 3.41Å; S193-W205 VanDerWaalsContact CB-NE1 3.3Å; S193-W205 PolarHBondContact N-O 3.35Å; S193-W205 PolarHBondContact O-N 3.29Å
194M98.6Very high97.7Very high0 Ų018.9 Ų18.90%011%0.107CC..EExtended strand (participates in β ladder)trans-130.3149.1178.6-64.8-65.9-177.600110.3I186 A187 Y203 G204 Q212 L213 I238 C240 T245 W257I186-M194 WeakPolarHBondContact CA-O 3.5Å; A187-M194 HydrophobicContact CB-CB 4.34Å; A187-M194 PolarHBondContact N-O 2.83Å; A187-M194 PolarHBondContact O-N 3.04Å; M194-Y203 CarbonylContact C-O 3.17Å; M194-Y203 VanDerWaalsContact CA-O 3.29Å; M194-Y203 WeakPolarHBondContact CA-O 3.2Å; M194-G204 WeakPolarHBondContact SD-CA 3.44Å; M194-Q212 WeakPolarHBondContact CE-O 3.4Å; M194-L213 HydrophobicContact CE-CD2 4.02Å; M194-I238 HydrophobicContact CB-CG1 3.94Å; M194-I238 HydrophobicContact CB-CG2 4.48Å; M194-I238 HydrophobicContact CG-CG1 4.29Å; M194-C240 VanDerWaalsContact CG-SG 3.58Å; M194-T245 HydrophobicContact CE-CG2 4.03Å; M194-T245 WeakPolarHBondContact CE-OG1 3.44Å; M194-T245 HydrophobicContact CG-CG2 4.22Å; M194-W257 HydrophobicContact CE-CZ2 4.33Å
195A98.4Very high97.7Very high0 Ų015.6 Ų15.60%09%0.087CC..EExtended strand (participates in β ladder)trans-138142.2169.700000110L178 V183 G185 V202 Y203 W205L178-A195 HydrophobicContact CD1-CB 4.49Å; V183-A195 HydrophobicContact CG1-CB 3.91Å; V183-A195 HydrophobicContact CG2-CB 4.3Å; G185-A195 WeakPolarHBondContact O-CA 3.29Å; A195-V202 WeakPolarHBondContact O-CA 3.24Å; A195-Y203 PolarHBondContact N-O 3.12Å; A195-Y203 PolarHBondContact O-N 2.65Å; A195-W205 HydrophobicContact CB-CH2 3.89Å; A195-W205 HydrophobicContact CB-CZ3 3.87Å
196V98.3Very high97.8Very high2 Ų215.2 Ų15.21%0.0128%0.083CC..EExtended strand (participates in β ladder)trans-113.7136.7170.462.90000109.5V183 V184 G185 V202 V235 I238V183-V196 WeakPolarHBondContact CA-O 3.37Å; V183-V196 WeakPolarHBondContact CG1-O 3.49Å; V184-V196 HydrophobicContact CG2-CG1 4.12Å; V184-V196 PolarHBondContact N-O 2.88Å; G185-V196 PolarHBondContact N-O 3.25Å; G185-V196 PolarHBondContact O-N 3.12Å; V196-V202 HydrophobicContact CG2-CG2 4.41Å; V196-V235 HydrophobicContact CG2-CB 4.07Å; V196-V235 HydrophobicContact CG2-CG1 4Å; V196-V235 WeakPolarHBondContact CG2-O 3.49Å; V196-I238 HydrophobicContact CB-CG2 4.28Å; V196-I238 HydrophobicContact CG1-CG2 4.1Å
197L97.5Very high97.8Very high2 Ų218.7 Ų18.71%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-92.8163179.8-57.9-170.1000112L178 K181 R182 V183 V184 N199 G200 E201 Y203L178-L197 HydrophobicContact CD2-CD2 4.06Å; K181-L197 HydrophobicContact CB-CD1 3.84Å; K181-L197 HydrophobicContact CB-CD2 3.98Å; K181-L197 HydrophobicContact CD-CD1 3.25Å; K181-L197 HydrophobicContact CG-CD1 4.16Å; R182-L197 WeakPolarHBondContact O-CA 3.27Å; V183-L197 HydrophobicContact CB-CD2 4.26Å; V183-L197 HydrophobicContact CG2-CD2 3.54Å; V184-L197 WeakPolarHBondContact CG2-O 3.38Å; L197-N199 WeakPolarHBondContact CB-OD1 3.41Å; L197-N199 PolarHBondContact O-N 2.95Å; L197-G200 WeakPolarHBondContact O-CA 3.42Å; L197-G200 PolarHBondContact O-N 2.95Å; L197-E201 HydrophobicContact CB-CB 4.38Å; L197-E201 HydrophobicContact CD1-CB 3.99Å; L197-E201 HydrophobicContact CG-CB 4.29Å; L197-E201 PolarHBondContact N-O 3.46Å; L197-Y203 HydrophobicContact CD1-CD2 4.11Å; L197-Y203 HydrophobicContact CD1-CE2 3.72Å; L197-Y203 HydrophobicContact CG-CD2 4.25Å; L197-Y203 HydrophobicContact CG-CE2 4.35Å
198D95.6Very high97.8Very high95 Ų9518.2 Ų18.251%0.5089%0.092SC..THydrogen-bonded Turntrans-58.9-27.3175.762-10.3000114R182 V184 G200R182-D198 HydrophobicContact CB-CB 4.43Å; R182-D198 WeakPolarHBondContact CB-OD2 3.46Å; R182-D198 HydrophobicContact CG-CB 4.36Å; R182-D198 PolarHBondContact O-N 2.98Å; V184-D198 HydrophobicContact CG1-CB 3.59Å; D198-G200 VanDerWaalsContact C-N 3.3Å
199N94.5Very high97.8Very high87 Ų8719.2 Ų19.247%0.46510%0.104SC..THydrogen-bonded Turntrans-86.75.7173.971.9-1000114.1L197 E201L197-N199 WeakPolarHBondContact CB-OD1 3.41Å; L197-N199 PolarHBondContact O-N 2.95Å; N199-E201 PolarHBondContact ND2-OE2 3.14Å; N199-E201 PolarHBondContact O-N 3.27Å; N199-E201 WeakPolarHBondContact OD1-CB 3.26Å; N199-E201 VanDerWaalsContact OD1-CG 3.32Å; N199-E201 WeakPolarHBondContact OD1-CG 3.2Å; N199-E201 PolarHBondContact OD1-N 3.33Å; N199-E201 VanDerWaalsContact OD1-N 3.07Å
200G96.6Very high97.8Very high2 Ų221.3 Ų21.32%0.02112%0.115CC..SBendtrans81.22.6178.100000116.1L197 D198 V235L197-G200 WeakPolarHBondContact O-CA 3.42Å; L197-G200 PolarHBondContact O-N 2.95Å; D198-G200 VanDerWaalsContact C-N 3.3Å; G200-V235 WeakPolarHBondContact CA-O 3.47Å; G200-V235 WeakPolarHBondContact O-CB 3.3Å; G200-V235 PolarHBondContact O-N 2.96Å
201E97.6Very high97.9Very high32 Ų3220.3 Ų20.315%0.1511%0.11CC..  trans-69.3139173.6-66.7179.6145.800111.4K181 L197 N199 Y203 R226K181-E201 IonicContact NZ-OE2 3.87Å; K181-E201 PolarHBondContact NZ-OE2 3.1Å; L197-E201 HydrophobicContact CB-CB 4.38Å; L197-E201 HydrophobicContact CD1-CB 3.99Å; L197-E201 HydrophobicContact CG-CB 4.29Å; L197-E201 PolarHBondContact N-O 3.46Å; N199-E201 PolarHBondContact ND2-OE2 3.14Å; N199-E201 PolarHBondContact O-N 3.27Å; N199-E201 WeakPolarHBondContact OD1-CB 3.26Å; N199-E201 VanDerWaalsContact OD1-CG 3.32Å; N199-E201 WeakPolarHBondContact OD1-CG 3.2Å; N199-E201 PolarHBondContact OD1-N 3.33Å; N199-E201 VanDerWaalsContact OD1-N 3.07Å; E201-Y203 HydrophobicContact CB-CE2 4.15Å; E201-R226 IonicContact OE1-CZ 3.08Å; E201-R226 IonicContact OE1-NE 3.28Å; E201-R226 IonicContact OE1-NH1 2.82Å; E201-R226 PolarHBondContact OE1-NH1 2.8Å; E201-R226 IonicContact OE1-NH2 3.82Å; E201-R226 PolarHBondContact OE1-NH2 3.42Å; E201-R226 VanDerWaalsContact OE1-NH2 3.1Å
202V98.3Very high97.9Very high3 Ų318.9 Ų18.92%0.01810%0.102CC..EExtended strand (participates in β ladder)trans-106.9136.7177.6-178.40000111.2A195 V196 R226 V227 L230 V235 I238A195-V202 WeakPolarHBondContact O-CA 3.24Å; V196-V202 HydrophobicContact CG2-CG2 4.41Å; V202-R226 WeakPolarHBondContact O-CA 3.25Å; V202-V227 HydrophobicContact CB-CB 4.32Å; V202-V227 HydrophobicContact CB-CG2 4.23Å; V202-V227 HydrophobicContact CG1-CB 4.46Å; V202-V227 HydrophobicContact CG1-CG2 3.86Å; V202-V227 PolarHBondContact O-N 3.45Å; V202-L230 HydrophobicContact CB-CD1 4.26Å; V202-L230 HydrophobicContact CG2-CD1 4.08Å; V202-V235 HydrophobicContact CG2-CB 3.67Å; V202-V235 HydrophobicContact CG2-CG1 3.78Å; V202-V235 HydrophobicContact CG2-CG2 3.63Å; V202-I238 HydrophobicContact CG1-CD1 4.13Å
203Y98.4Very high98Very high16 Ų1618.8 Ų18.86%0.06310%0.101CC..EExtended strand (participates in β ladder)trans-123.1137.1175.8-79.1-99.6000110.8C177 L178 K181 M194 A195 L197 E201 P224 V225 R226C177-Y203 HydrophobicContact CB-CD1 4.12Å; C177-Y203 HydrophobicContact CB-CE1 3.61Å; L178-Y203 HydrophobicContact CD2-CD1 4.22Å; L178-Y203 HydrophobicContact CD2-CD2 4.07Å; L178-Y203 HydrophobicContact CD2-CG 3.9Å; K181-Y203 HydrophobicContact CD-CE2 4.37Å; K181-Y203 PolarHBondContact NZ-OH 3.4Å; M194-Y203 CarbonylContact C-O 3.17Å; M194-Y203 VanDerWaalsContact CA-O 3.29Å; M194-Y203 WeakPolarHBondContact CA-O 3.2Å; A195-Y203 PolarHBondContact N-O 3.12Å; A195-Y203 PolarHBondContact O-N 2.65Å; L197-Y203 HydrophobicContact CD1-CD2 4.11Å; L197-Y203 HydrophobicContact CD1-CE2 3.72Å; L197-Y203 HydrophobicContact CG-CD2 4.25Å; L197-Y203 HydrophobicContact CG-CE2 4.35Å; E201-Y203 HydrophobicContact CB-CE2 4.15Å; Y203-P224 HydrophobicContact CD1-CB 4Å; Y203-V225 CarbonylContact C-O 3.56Å; Y203-V225 WeakPolarHBondContact CA-O 3.08Å; Y203-R226 HydrophobicContact CD1-CB 4.27Å; Y203-R226 HydrophobicContact CE1-CB 3.74Å; Y203-R226 HydrophobicContact CE2-CB 4.27Å; Y203-R226 HydrophobicContact CE2-CG 4.29Å
204G98.3Very high98Very high0 Ų018.9 Ų18.90%010%0.101CC..EExtended strand (participates in β ladder)trans-129.5146.6177.200000113S193 M194 V225S193-G204 WeakPolarHBondContact O-CA 3.41Å; M194-G204 WeakPolarHBondContact SD-CA 3.44Å; G204-V225 PolarHBondContact N-O 3.29Å; G204-V225 PolarHBondContact O-N 3.27Å
205W98.7Very high97.9Very high0 Ų020.3 Ų20.30%011%0.109CC..EExtended strand (participates in β ladder)trans-152.6169.6172.462.293.5000113.2M141 Q159 G161 L178 S192 S193 A195 L213 Q221 P224M141-W205 HydrophobicContact CE-CH2 3.79Å; M141-W205 HydrophobicContact CE-CZ2 3.57Å; M141-W205 HydrophobicContact SD-CZ2 4.11Å; Q159-W205 VanDerWaalsContact O-CD1 3.31Å; Q159-W205 PolarHBondContact O-NE1 3.4Å; G161-W205 VanDerWaalsContact CA-CD1 3.45Å; L178-W205 HydrophobicContact CD1-CH2 4.19Å; L178-W205 HydrophobicContact CD1-CZ3 4.17Å; S192-W205 WeakPolarHBondContact CA-O 3.34Å; S193-W205 VanDerWaalsContact CB-NE1 3.3Å; S193-W205 PolarHBondContact N-O 3.35Å; S193-W205 PolarHBondContact O-N 3.29Å; A195-W205 HydrophobicContact CB-CH2 3.89Å; A195-W205 HydrophobicContact CB-CZ3 3.87Å; W205-L213 WeakPolarHBondContact O-CD2 3.4Å; W205-Q221 HydrophobicContact CB-CB 4.3Å; W205-P224 HydrophobicContact CD2-CB 4.21Å; W205-P224 HydrophobicContact CD2-CG 3.86Å; W205-P224 HydrophobicContact CE3-CB 3.58Å; W205-P224 HydrophobicContact CE3-CG 3.64Å; W205-P224 HydrophobicContact CG-CG 4.4Å; W205-P224 HydrophobicContact CZ3-CB 4.03Å; W205-P224 HydrophobicContact CZ3-CG 4.02Å
206G98.6Very high97.9Very high0 Ų022.3 Ų22.30%013%0.13CC..EExtended strand (participates in β ladder)trans97.4-146.3-175.600000113.4C157 N220 Q221C157-G206 CarbonylContact O-C 3.58Å; C157-G206 VanDerWaalsContact O-CA 3.3Å; C157-G206 WeakPolarHBondContact O-CA 3.39Å; G206-N220 VanDerWaalsContact O-CA 3.27Å; G206-N220 WeakPolarHBondContact O-CA 3.34Å; G206-N220 WeakPolarHBondContact O-CB 3.43Å; G206-Q221 PolarHBondContact N-O 2.84Å; G206-Q221 PolarHBondContact O-N 3.04Å
207Y98.7Very high97.9Very high80 Ų8025.2 Ų25.231%0.31415%0.145SC..  trans-68136.1-177.7-174.9-119000111.9C157 T191 Q212 N220C157-Y207 HydrophobicContact CB-CD2 4.36Å; C157-Y207 HydrophobicContact CB-CG 4.48Å; T191-Y207 VanDerWaalsContact O-CB 3.25Å; T191-Y207 WeakPolarHBondContact O-CB 3.27Å; T191-Y207 PolarHBondContact O-N 2.96Å; T191-Y207 WeakPolarHBondContact OG1-CB 3.36Å; T191-Y207 WeakPolarHBondContact OG1-CD1 3.48Å; Y207-Q212 WeakPolarHBondContact O-CG 3.49Å; Y207-Q212 PolarHBondContact O-NE2 3.21Å; Y207-N220 WeakPolarHBondContact CA-OD1 3.45Å; Y207-N220 VanDerWaalsContact CD2-OD1 3.3Å; Y207-N220 WeakPolarHBondContact CD2-OD1 3.43Å
208N98.6Very high97.9Very high0 Ų029 Ų290%017%0.165CC..  trans-135.218-177.4-164.231.1000113.8N210 G211 Q212 L213 N217 N218 G219 N220N208-N210 PolarHBondContact O-N 3.12Å; N208-G211 PolarHBondContact O-N 3.35Å; N208-G211 WeakPolarHBondContact OD1-CA 3.28Å; N208-Q212 PolarHBondContact OD1-N 3.2Å; N208-L213 HydrophobicContact CB-CB 4.34Å; N208-L213 HydrophobicContact CB-CD1 3.67Å; N208-L213 HydrophobicContact CB-CG 3.72Å; N208-L213 VanDerWaalsContact OD1-CB 3.31Å; N208-L213 WeakPolarHBondContact OD1-CB 3.36Å; N208-L213 WeakPolarHBondContact OD1-CG 3.22Å; N208-L213 PolarHBondContact OD1-N 3.38Å; N208-N217 PolarHBondContact ND2-O 3.15Å; N208-N217 PolarHBondContact ND2-OD1 3.44Å; N208-N218 CarbonylContact C-O 3.58Å; N208-N218 CarbonylContact O-C 3.21Å; N208-N218 VanDerWaalsContact O-CA 3.24Å; N208-N218 WeakPolarHBondContact O-CA 3.4Å; N208-N218 PolarHBondContact O-OD1 2.87Å; N208-G219 WeakPolarHBondContact CB-O 3.18Å; N208-G219 PolarHBondContact ND2-O 3.38Å; N208-G219 VanDerWaalsContact ND2-O 3.1Å; N208-N220 PolarHBondContact N-OD1 3.05Å
209G98.4Very high98.1Very high31 Ų3126 Ų2632%0.3216%0.158SC..THydrogen-bonded Turntrans-62-16.3-174.100000115.3N218G209-N218 PolarHBondContact O-OD1 3.27Å
210N98.1Very high98.3Very high44 Ų4425.2 Ų25.224%0.23515%0.153CC..THydrogen-bonded Turntrans-111.38.9174.6-62.5-72.5000113.1N208 Q212 G258 A259 N272N208-N210 PolarHBondContact O-N 3.12Å; N210-Q212 VanDerWaalsContact C-N 3.33Å; N210-G258 CarbonylContact O-C 3.31Å; N210-G258 WeakPolarHBondContact O-CA 3.43Å; N210-A259 HydrophobicContact CB-CB 3.82Å; N210-N272 PolarHBondContact OD1-ND2 2.91Å
211G98.3Very high98.4Very high0 Ų027.3 Ų27.30%016%0.163CC..SBendtrans76.515.1-17400000114.5N208 L213 G214 N218N208-G211 PolarHBondContact O-N 3.35Å; N208-G211 WeakPolarHBondContact OD1-CA 3.28Å; G211-L213 PolarHBondContact O-N 3.34Å; G211-G214 PolarHBondContact O-N 2.82Å; G211-N218 PolarHBondContact N-OD1 3.19Å
212Q98.4Very high98.4Very high1 Ų128.9 Ų28.91%0.00517%0.171CC..THydrogen-bonded Turntrans-62.2-14.3-175.762.9-103.962.600114.4M194 Y207 N208 N210 A243 T245 W257M194-Q212 WeakPolarHBondContact CE-O 3.4Å; Y207-Q212 WeakPolarHBondContact O-CG 3.49Å; Y207-Q212 PolarHBondContact O-NE2 3.21Å; N208-Q212 PolarHBondContact OD1-N 3.2Å; N210-Q212 VanDerWaalsContact C-N 3.33Å; Q212-A243 WeakPolarHBondContact CB-O 3.43Å; Q212-T245 PolarHBondContact O-OG1 3.08Å; Q212-W257 VanDerWaalsContact O-CD1 3.3Å; Q212-W257 PolarHBondContact O-NE1 3.25Å
213L98.7Very high98.3Very high0 Ų030.3 Ų30.30%018%0.18CC..THydrogen-bonded Turntrans-83.4-14.5173.3-55.6-171.5000113.5M194 W205 N208 G211 L215 Q221 V227M194-L213 HydrophobicContact CE-CD2 4.02Å; W205-L213 WeakPolarHBondContact O-CD2 3.4Å; N208-L213 HydrophobicContact CB-CB 4.34Å; N208-L213 HydrophobicContact CB-CD1 3.67Å; N208-L213 HydrophobicContact CB-CG 3.72Å; N208-L213 VanDerWaalsContact OD1-CB 3.31Å; N208-L213 WeakPolarHBondContact OD1-CB 3.36Å; N208-L213 WeakPolarHBondContact OD1-CG 3.22Å; N208-L213 PolarHBondContact OD1-N 3.38Å; G211-L213 PolarHBondContact O-N 3.34Å; L213-L215 VanDerWaalsContact C-N 3.34Å; L213-L215 HydrophobicContact CB-CD1 3.82Å; L213-L215 HydrophobicContact CB-CG 3.75Å; L213-L215 HydrophobicContact CD1-CD1 4.02Å; L213-L215 PolarHBondContact O-N 3.49Å; L213-Q221 HydrophobicContact CD1-CB 3.94Å; L213-Q221 HydrophobicContact CD1-CG 3.62Å; L213-V227 WeakPolarHBondContact O-CG2 2.95Å
214G98.4Very high98.3Very high1 Ų129.6 Ų29.61%0.0118%0.177CC..  trans74.221175.500000114.6G211 W257 L274 P276G211-G214 PolarHBondContact O-N 2.82Å; G214-W257 VanDerWaalsContact N-CD1 3.26Å; G214-L274 CarbonylContact C-O 3.46Å; G214-L274 WeakPolarHBondContact CA-O 3.45Å; G214-P276 WeakPolarHBondContact O-CD 3.2Å
215L98.4Very high98.3Very high31 Ų3131.7 Ų31.716%0.16219%0.19CC..SBendtrans-91.78.7-170.5-55.3178.1000114.3L213 N217 Q221 V225 V227 L274L213-L215 VanDerWaalsContact C-N 3.34Å; L213-L215 HydrophobicContact CB-CD1 3.82Å; L213-L215 HydrophobicContact CB-CG 3.75Å; L213-L215 HydrophobicContact CD1-CD1 4.02Å; L213-L215 PolarHBondContact O-N 3.49Å; L215-N217 WeakPolarHBondContact CB-ND2 3.41Å; L215-N217 PolarHBondContact O-N 3.34Å; L215-N217 PolarHBondContact O-ND2 3.37Å; L215-Q221 HydrophobicContact CD1-CG 3.4Å; L215-V225 HydrophobicContact CD1-CB 4.12Å; L215-V225 HydrophobicContact CD1-CG1 4.16Å; L215-V225 HydrophobicContact CD2-CB 4.28Å; L215-V225 HydrophobicContact CD2-CG1 3.92Å; L215-V227 HydrophobicContact CD2-CG2 4.34Å; L215-L274 PolarHBondContact N-O 2.89Å; L215-L274 VanDerWaalsContact N-O 3.14Å
216G98.2Very high98.2Very high42 Ų4236.2 Ų36.243%0.43321%0.207SC..SBendtrans70.514-175.300000114.3L274 S275G216-L274 WeakPolarHBondContact CA-O 3.47Å; G216-L274 PolarHBondContact N-O 3.22Å; G216-S275 WeakPolarHBondContact CA-OG 3.46Å
217N98.1Very high98.2Very high62 Ų6236.2 Ų36.233%0.33221%0.208SC..SBendtrans-150177-179.768.875.6000110.9N208 L215 G219N208-N217 PolarHBondContact ND2-O 3.15Å; N208-N217 PolarHBondContact ND2-OD1 3.44Å; L215-N217 WeakPolarHBondContact CB-ND2 3.41Å; L215-N217 PolarHBondContact O-N 3.34Å; L215-N217 PolarHBondContact O-ND2 3.37Å; N217-G219 PolarHBondContact OD1-N 3.25Å
218N98.1Very high98.1Very high81 Ų8135.5 Ų35.543%0.43322%0.218SC..  trans-110.613.4179.7-70.8-53.5000114.2N208 G209 G211 L274N208-N218 CarbonylContact C-O 3.58Å; N208-N218 CarbonylContact O-C 3.21Å; N208-N218 VanDerWaalsContact O-CA 3.24Å; N208-N218 WeakPolarHBondContact O-CA 3.4Å; N208-N218 PolarHBondContact O-OD1 2.87Å; G209-N218 PolarHBondContact O-OD1 3.27Å; G211-N218 PolarHBondContact N-OD1 3.19Å; N218-L274 WeakPolarHBondContact OD1-CD2 3.43Å
219G98.4Very high98Very high34 Ų3438 Ų3835%0.35124%0.239SC..  trans-82.5130.3-177.700000112.1N208 N217 Q221N208-G219 WeakPolarHBondContact CB-O 3.18Å; N208-G219 PolarHBondContact ND2-O 3.38Å; N208-G219 VanDerWaalsContact ND2-O 3.1Å; N217-G219 PolarHBondContact OD1-N 3.25Å; G219-Q221 PolarHBondContact O-NE2 3.15Å
220N98.6Very high98Very high69 Ų6936.8 Ų36.837%0.36923%0.225SC..  trans-58148.5172.2-65.9-10000110.8G206 Y207 N208G206-N220 VanDerWaalsContact O-CA 3.27Å; G206-N220 WeakPolarHBondContact O-CA 3.34Å; G206-N220 WeakPolarHBondContact O-CB 3.43Å; Y207-N220 WeakPolarHBondContact CA-OD1 3.45Å; Y207-N220 VanDerWaalsContact CD2-OD1 3.3Å; Y207-N220 WeakPolarHBondContact CD2-OD1 3.43Å; N208-N220 PolarHBondContact N-OD1 3.05Å
221Q98.2Very high97.6Very high47 Ų4741 Ų4122%0.2224%0.243CC..EExtended strand (participates in β ladder)trans-119.2121177.4-58.1-56.2-43.300110.3W205 G206 L213 L215 G219 T223 V225W205-Q221 HydrophobicContact CB-CB 4.3Å; G206-Q221 PolarHBondContact N-O 2.84Å; G206-Q221 PolarHBondContact O-N 3.04Å; L213-Q221 HydrophobicContact CD1-CB 3.94Å; L213-Q221 HydrophobicContact CD1-CG 3.62Å; L215-Q221 HydrophobicContact CD1-CG 3.4Å; G219-Q221 PolarHBondContact O-NE2 3.15Å; Q221-T223 VanDerWaalsContact C-N 3.28Å; Q221-T223 PolarHBondContact O-N 2.69Å; Q221-V225 HydrophobicContact CB-CG2 4.1Å; Q221-V225 HydrophobicContact CG-CB 4.4Å; Q221-V225 HydrophobicContact CG-CG2 3.89Å
222L97.8Very high97.2Very high64 Ų6445.4 Ų45.434%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-81-10.8-179.9-54.4-175.4000113.3G161 S162 G163 T165G161-L222 CarbonylContact C-O 3.49Å; G161-L222 VanDerWaalsContact CA-O 3.31Å; G161-L222 WeakPolarHBondContact CA-O 3.43Å; S162-L222 PolarHBondContact N-O 3.31Å; G163-L222 WeakPolarHBondContact CA-O 3.1Å; G163-L222 PolarHBondContact N-O 3.15Å; T165-L222 HydrophobicContact CG2-CD1 4.44Å; T165-L222 HydrophobicContact CG2-CD2 3.75Å
223T97.3Very high96.9Very high34 Ų3446.6 Ų46.621%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-138.6156.8177.956.90000109.7N176 Q221 V225N176-T223 HydrophobicContact CB-CG2 4.33Å; N176-T223 WeakPolarHBondContact ND2-CB 3.07Å; N176-T223 PolarHBondContact ND2-OG1 2.81Å; Q221-T223 VanDerWaalsContact C-N 3.28Å; Q221-T223 PolarHBondContact O-N 2.69Å; T223-V225 PolarHBondContact O-N 3.4Å
224P97.8Very high96.8Very high0 Ų048.8 Ų48.80%030%0.296CS..EExtended strand (participates in β ladder)trans-53.2128.9176.3-25.633000113.1V174 C177 L178 Y203 W205V174-P224 HydrophobicContact CG1-CG 3.4Å; C177-P224 HydrophobicContact CB-CB 4.4Å; C177-P224 PolarHBondContact SG-O 3.06Å; L178-P224 HydrophobicContact CD1-CB 4.1Å; L178-P224 HydrophobicContact CD1-CG 3.8Å; L178-P224 HydrophobicContact CG-CB 4.06Å; L178-P224 HydrophobicContact CG-CG 4.06Å; Y203-P224 HydrophobicContact CD1-CB 4Å; W205-P224 HydrophobicContact CD2-CB 4.21Å; W205-P224 HydrophobicContact CD2-CG 3.86Å; W205-P224 HydrophobicContact CE3-CB 3.58Å; W205-P224 HydrophobicContact CE3-CG 3.64Å; W205-P224 HydrophobicContact CG-CG 4.4Å; W205-P224 HydrophobicContact CZ3-CB 4.03Å; W205-P224 HydrophobicContact CZ3-CG 4.02Å
225V97.6Very high96.8Very high45 Ų4548.9 Ų48.927%0.27330%0.296SS..EExtended strand (participates in β ladder)trans-122.9136.2174.7-1790000109.8Y203 G204 L215 Q221 T223Y203-V225 CarbonylContact C-O 3.56Å; Y203-V225 WeakPolarHBondContact CA-O 3.08Å; G204-V225 PolarHBondContact N-O 3.29Å; G204-V225 PolarHBondContact O-N 3.27Å; L215-V225 HydrophobicContact CD1-CB 4.12Å; L215-V225 HydrophobicContact CD1-CG1 4.16Å; L215-V225 HydrophobicContact CD2-CB 4.28Å; L215-V225 HydrophobicContact CD2-CG1 3.92Å; Q221-V225 HydrophobicContact CB-CG2 4.1Å; Q221-V225 HydrophobicContact CG-CB 4.4Å; Q221-V225 HydrophobicContact CG-CG2 3.89Å; T223-V225 PolarHBondContact O-N 3.4Å
226R97.1Very high96.7Very high94 Ų9451.2 Ų51.236%0.35531%0.309SS..EExtended strand (participates in β ladder)trans-67.2134.3178.6-174.5179.9172.3169.36110.6E201 V202 Y203 A228E201-R226 IonicContact OE1-CZ 3.08Å; E201-R226 IonicContact OE1-NE 3.28Å; E201-R226 IonicContact OE1-NH1 2.82Å; E201-R226 PolarHBondContact OE1-NH1 2.8Å; E201-R226 IonicContact OE1-NH2 3.82Å; E201-R226 PolarHBondContact OE1-NH2 3.42Å; E201-R226 VanDerWaalsContact OE1-NH2 3.1Å; V202-R226 WeakPolarHBondContact O-CA 3.25Å; Y203-R226 HydrophobicContact CD1-CB 4.27Å; Y203-R226 HydrophobicContact CE1-CB 3.74Å; Y203-R226 HydrophobicContact CE2-CB 4.27Å; Y203-R226 HydrophobicContact CE2-CG 4.29Å; R226-A228 VanDerWaalsContact C-N 3.33Å; R226-A228 PolarHBondContact O-N 2.63Å
227V98.2Very high96.6Very high1 Ų151.4 Ų51.41%0.00630%0.299CS..  trans-7784.7170.4-173.10000108.8V202 L213 L215 A229 L230 P276V202-V227 HydrophobicContact CB-CB 4.32Å; V202-V227 HydrophobicContact CB-CG2 4.23Å; V202-V227 HydrophobicContact CG1-CB 4.46Å; V202-V227 HydrophobicContact CG1-CG2 3.86Å; V202-V227 PolarHBondContact O-N 3.45Å; L213-V227 WeakPolarHBondContact O-CG2 2.95Å; L215-V227 HydrophobicContact CD2-CG2 4.34Å; V227-A229 PolarHBondContact O-N 2.87Å; V227-A229 VanDerWaalsContact O-N 3.14Å; V227-L230 HydrophobicContact CB-CD1 4.38Å; V227-L230 HydrophobicContact CG1-CD1 3.95Å; V227-L230 HydrophobicContact CG1-CG 4.14Å; V227-L230 PolarHBondContact O-N 3.47Å; V227-L230 VanDerWaalsContact O-N 3.12Å; V227-P276 HydrophobicContact CG1-CG 3.61Å
228A97.3Very high96.7Very high64 Ų6449 Ų4953%0.52929%0.286SS..G310 helixtrans-58.8-29.5-172.500000113.4R226 L230 H231R226-A228 VanDerWaalsContact C-N 3.33Å; R226-A228 PolarHBondContact O-N 2.63Å; A228-L230 PolarHBondContact O-N 2.94Å; A228-L230 VanDerWaalsContact O-N 3.1Å; A228-H231 VanDerWaalsContact O-CB 3.27Å; A228-H231 WeakPolarHBondContact O-CB 3.44Å; A228-H231 PolarHBondContact O-CD2 3.15Å; A228-H231 PolarHBondContact O-N 3.01Å
229A97.3Very high96.7Very high53 Ų5345.7 Ų45.744%0.43827%0.268SS..G310 helixtrans-61.6-17.5178.700000114.4V227 P276V227-A229 PolarHBondContact O-N 2.87Å; V227-A229 VanDerWaalsContact O-N 3.14Å; A229-P276 HydrophobicContact CB-CG 4.18Å
230L96.8Very high96.7Very high6 Ų644.4 Ų44.43%0.03125%0.254CS..G310 helixtrans-99.715.8177.2-63.1170.7000112.7V202 V227 A228 S232 V233 V235 Y255 W257 P276V202-L230 HydrophobicContact CB-CD1 4.26Å; V202-L230 HydrophobicContact CG2-CD1 4.08Å; V227-L230 HydrophobicContact CB-CD1 4.38Å; V227-L230 HydrophobicContact CG1-CD1 3.95Å; V227-L230 HydrophobicContact CG1-CG 4.14Å; V227-L230 PolarHBondContact O-N 3.47Å; V227-L230 VanDerWaalsContact O-N 3.12Å; A228-L230 PolarHBondContact O-N 2.94Å; A228-L230 VanDerWaalsContact O-N 3.1Å; L230-S232 PolarHBondContact O-N 2.79Å; L230-V233 HydrophobicContact CB-CG2 3.9Å; L230-V233 HydrophobicContact CD2-CG2 3.76Å; L230-V233 HydrophobicContact CG-CG2 4.42Å; L230-V233 WeakPolarHBondContact O-CG2 3.36Å; L230-V233 PolarHBondContact O-N 3.36Å; L230-V235 HydrophobicContact CD1-CG2 4.23Å; L230-Y255 HydrophobicContact CD2-CD1 3.9Å; L230-Y255 HydrophobicContact CD2-CD2 4.4Å; L230-Y255 HydrophobicContact CD2-CE1 4.26Å; L230-Y255 HydrophobicContact CD2-CG 3.98Å; L230-W257 HydrophobicContact CD1-CH2 3.86Å; L230-W257 HydrophobicContact CD1-CZ3 4.1Å; L230-P276 HydrophobicContact CD1-CB 4.4Å; L230-P276 HydrophobicContact CD1-CG 3.97Å; L230-P276 HydrophobicContact CD2-CB 3.72Å; L230-P276 HydrophobicContact CD2-CG 4.09Å; L230-P276 HydrophobicContact CG-CB 4.04Å; L230-P276 HydrophobicContact CG-CG 3.81Å
231H90.6Very high96.7Very high131 Ų13141.1 Ų41.161%0.60624%0.236SC*.THydrogen-bonded Turntrans-61.8-18.4-172.872.376000115.3A228A228-H231 VanDerWaalsContact O-CB 3.27Å; A228-H231 WeakPolarHBondContact O-CB 3.44Å; A228-H231 PolarHBondContact O-CD2 3.15Å; A228-H231 PolarHBondContact O-N 3.01Å
232S89Confident96.6Very high93 Ų9343.8 Ų43.865%0.6525%0.245SC*.THydrogen-bonded Turntrans-106.44-174.849.80000113.5L230L230-S232 PolarHBondContact O-N 2.79Å
233V93.9Very high96.7Very high27 Ų2741 Ų4116%0.16423%0.231CC..SBendtrans-126.8148.2179.8-61.70000110.3L230 V235 T249 Y255L230-V233 HydrophobicContact CB-CG2 3.9Å; L230-V233 HydrophobicContact CD2-CG2 3.76Å; L230-V233 HydrophobicContact CG-CG2 4.42Å; L230-V233 WeakPolarHBondContact O-CG2 3.36Å; L230-V233 PolarHBondContact O-N 3.36Å; V233-V235 HydrophobicContact CG2-CG2 4.36Å; V233-T249 HydrophobicContact CB-CG2 3.87Å; V233-T249 HydrophobicContact CG1-CG2 4.47Å; V233-T249 HydrophobicContact CG2-CG2 4.06Å; V233-Y255 HydrophobicContact CG1-CE2 4.4Å
234C95.9Very high96.7Very high46 Ų4639.5 Ų39.531%0.31122%0.222SC..  trans-98.4107.6176.6177.10000108.9T249 D250C234-T249 CarbonylContact O-C 3.56Å; C234-T249 WeakPolarHBondContact O-CA 3.35Å; C234-T249 VanDerWaalsContact O-CB 3.32Å; C234-T249 WeakPolarHBondContact O-CB 3.35Å; C234-D250 HydrophobicContact CB-CB 4.43Å; C234-D250 WeakPolarHBondContact CB-OD1 3.37Å; C234-D250 WeakPolarHBondContact CB-OD2 3.49Å; C234-D250 PolarHBondContact O-N 3.05Å
235V98.1Very high96.8Very high3 Ų339.6 Ų39.62%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-82.7129.6179.6178.50000109.7V196 G200 V202 L230 V233 Q237 A247 L248V196-V235 HydrophobicContact CG2-CB 4.07Å; V196-V235 HydrophobicContact CG2-CG1 4Å; V196-V235 WeakPolarHBondContact CG2-O 3.49Å; G200-V235 WeakPolarHBondContact CA-O 3.47Å; G200-V235 WeakPolarHBondContact O-CB 3.3Å; G200-V235 PolarHBondContact O-N 2.96Å; V202-V235 HydrophobicContact CG2-CB 3.67Å; V202-V235 HydrophobicContact CG2-CG1 3.78Å; V202-V235 HydrophobicContact CG2-CG2 3.63Å; L230-V235 HydrophobicContact CD1-CG2 4.23Å; V233-V235 HydrophobicContact CG2-CG2 4.36Å; V235-Q237 WeakPolarHBondContact CG1-O 3.1Å; V235-A247 HydrophobicContact CG1-CB 3.9Å; V235-A247 HydrophobicContact CG2-CB 4.26Å; V235-L248 WeakPolarHBondContact CA-O 3.37Å; V235-L248 WeakPolarHBondContact CG1-O 3.06Å
236N95.7Very high96.8Very high79 Ų7937.4 Ų37.442%0.42221%0.209SC..EExtended strand (participates in β ladder)trans-105.5-25.7177.165.46.7000113.1L248 T249N236-L248 PolarHBondContact N-O 2.84Å; N236-L248 WeakPolarHBondContact OD1-CB 3.42Å; N236-L248 WeakPolarHBondContact OD1-CG 3.45Å; N236-L248 PolarHBondContact OD1-O 3.16Å; N236-T249 PolarHBondContact ND2-O 2.82Å
237Q97.7Very high96.9Very high47 Ų4733 Ų3322%0.2219%0.192CC..EExtended strand (participates in β ladder)trans-139.1137.4-178.3-163.6-170.4-8.700109.8V235 V239 A247 L248 I289V235-Q237 WeakPolarHBondContact CG1-O 3.1Å; Q237-V239 HydrophobicContact CG-CG1 4.47Å; Q237-A247 WeakPolarHBondContact O-CA 3.39Å; Q237-L248 HydrophobicContact CB-CB 4.02Å; Q237-L248 PolarHBondContact N-O 2.87Å; Q237-L248 PolarHBondContact O-N 2.63Å; Q237-I289 HydrophobicContact CB-CD1 4.44Å; Q237-I289 HydrophobicContact CB-CG1 4.39Å; Q237-I289 HydrophobicContact CG-CD1 4.47Å; Q237-I289 HydrophobicContact CG-CG1 4.13Å; Q237-I289 PolarHBondContact NE2-O 3.47Å
238I98.6Very high96.9Very high11 Ų1133.1 Ų33.16%0.05619%0.193CC..EExtended strand (participates in β ladder)trans-128.7130.8173.6-166.876.7000108.3A187 M194 V196 V202 T245 L246 A247 W257A187-I238 HydrophobicContact CB-CG2 4.07Å; M194-I238 HydrophobicContact CB-CG1 3.94Å; M194-I238 HydrophobicContact CB-CG2 4.48Å; M194-I238 HydrophobicContact CG-CG1 4.29Å; V196-I238 HydrophobicContact CB-CG2 4.28Å; V196-I238 HydrophobicContact CG1-CG2 4.1Å; V202-I238 HydrophobicContact CG1-CD1 4.13Å; I238-T245 HydrophobicContact CD1-CG2 3.5Å; I238-T245 VanDerWaalsContact CD1-CG2 3.5Å; I238-T245 HydrophobicContact CG1-CG2 3.96Å; I238-L246 WeakPolarHBondContact CD1-O 3.3Å; I238-A247 HydrophobicContact CD1-CB 3.81Å; I238-W257 HydrophobicContact CD1-CH2 3.7Å; I238-W257 HydrophobicContact CD1-CZ2 4.09Å
239V98.7Very high96.9Very high12 Ų1230.1 Ų30.17%0.07317%0.168CC..EExtended strand (participates in β ladder)trans-133.3148173.6-61.60000109.9Q237 T245 L246 I289 A291 W343Q237-V239 HydrophobicContact CG-CG1 4.47Å; V239-T245 WeakPolarHBondContact O-CA 3.27Å; V239-L246 HydrophobicContact CG2-CB 3.77Å; V239-L246 HydrophobicContact CG2-CD1 4.11Å; V239-L246 HydrophobicContact CG2-CG 4.28Å; V239-L246 PolarHBondContact N-O 3.44Å; V239-L246 PolarHBondContact O-N 2.76Å; V239-I289 HydrophobicContact CG1-CG1 4.39Å; V239-I289 HydrophobicContact CG2-CB 4.36Å; V239-I289 HydrophobicContact CG2-CD1 3.83Å; V239-I289 HydrophobicContact CG2-CG1 3.93Å; V239-A291 HydrophobicContact CB-CB 4.15Å; V239-A291 HydrophobicContact CG2-CB 3.71Å; V239-W343 HydrophobicContact CG1-CZ3 4.3Å
240C98.6Very high96.8Very high6 Ų631.1 Ų31.14%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-120.1131.6-178.9-70.50000110.5A187 C188 M194 H244 A291 C292 H293A187-C240 HydrophobicContact CB-CB 4.35Å; C188-C240 VanDerWaalsContact C-CB 3.41Å; C188-C240 VanDerWaalsContact O-CB 3.25Å; C188-C240 WeakPolarHBondContact O-CB 3.39Å; M194-C240 VanDerWaalsContact CG-SG 3.58Å; C240-H244 WeakPolarHBondContact CA-O 3.47Å; C240-A291 CarbonylContact O-C 3.49Å; C240-C292 CarbonylContact O-C 3.53Å; C240-C292 VanDerWaalsContact O-C 3.3Å; C240-H293 PolarHBondContact O-N 3.02Å
241G98.1Very high96.6Very high0 Ų037 Ų370%019%0.194CC..  trans-88.2-160.616400000111.9A243 H244 C292G241-A243 PolarHBondContact O-N 3.38Å; G241-H244 VanDerWaalsContact CA-CE1 3.45Å; G241-H244 WeakPolarHBondContact CA-CE1 3.4Å; G241-H244 PolarHBondContact N-O 3.23Å; G241-C292 CarbonylContact C-O 3.52Å; G241-C292 VanDerWaalsContact CA-O 3.23Å; G241-C292 WeakPolarHBondContact CA-O 3.36Å
242Y97.3Very high96.8Very high104 Ų10431 Ų3141%0.40817%0.167SC..SBendtrans-51.5-52.1-179.9-173.5-84.1000114.2Q190 H293 A295 H296Q190-Y242 WeakPolarHBondContact CB-O 3.35Å; Q190-Y242 HydrophobicContact CG-CD1 4.13Å; Q190-Y242 HydrophobicContact CG-CD2 3.42Å; Q190-Y242 VanDerWaalsContact CG-CD2 3.42Å; Q190-Y242 HydrophobicContact CG-CE1 4.17Å; Q190-Y242 HydrophobicContact CG-CE2 3.48Å; Q190-Y242 VanDerWaalsContact CG-CE2 3.48Å; Q190-Y242 HydrophobicContact CG-CG 3.76Å; Q190-Y242 VanDerWaalsContact CG-O 3.32Å; Q190-Y242 WeakPolarHBondContact CG-O 3.47Å; Q190-Y242 PolarHBondContact N-O 3.1Å; Y242-H293 WeakPolarHBondContact CA-O 3.42Å; Y242-A295 WeakPolarHBondContact CB-O 3.39Å; Y242-A295 PolarHBondContact N-O 3.27Å; Y242-H296 AromaticContact CD1-CE1 3.47Å; Y242-H296 VanDerWaalsContact CD1-CE1 3.47Å; Y242-H296 WeakPolarHBondContact CD1-CE1 3.49Å; Y242-H296 AromaticContact CG-CE1 3.43Å; Y242-H296 VanDerWaalsContact CG-CE1 3.43Å
243A98.3Very high97.1Very high6 Ų629 Ų295%0.0515%0.148CC..SBendtrans-148.131.3178.200000111.3Q212 G241 A259Q212-A243 WeakPolarHBondContact CB-O 3.43Å; G241-A243 PolarHBondContact O-N 3.38Å; A243-A259 HydrophobicContact CB-CB 3.82Å; A243-A259 VanDerWaalsContact O-CB 3.25Å; A243-A259 WeakPolarHBondContact O-CB 3.26Å; A243-A259 PolarHBondContact O-N 3.32Å
244H98.8Very high97.3Very high2 Ų227.7 Ų27.71%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-137.2161.9177.176-85000109.6C240 G241 W257 Q264 L265 S298C240-H244 WeakPolarHBondContact CA-O 3.47Å; G241-H244 VanDerWaalsContact CA-CE1 3.45Å; G241-H244 WeakPolarHBondContact CA-CE1 3.4Å; G241-H244 PolarHBondContact N-O 3.23Å; H244-W257 WeakPolarHBondContact CA-O 3.34Å; H244-W257 WeakPolarHBondContact CB-O 3.29Å; H244-Q264 HydrophobicContact CB-CG 4.01Å; H244-L265 HydrophobicContact CB-CD2 3.84Å; H244-S298 PolarHBondContact NE2-OG 3.06Å
245T98.9Very high97.4Very high1 Ų127.4 Ų27.41%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-135.9139.1-175.8-53.40000109.4M194 Q212 I238 V239 A256 W257M194-T245 HydrophobicContact CE-CG2 4.03Å; M194-T245 WeakPolarHBondContact CE-OG1 3.44Å; M194-T245 HydrophobicContact CG-CG2 4.22Å; Q212-T245 PolarHBondContact O-OG1 3.08Å; I238-T245 HydrophobicContact CD1-CG2 3.5Å; I238-T245 VanDerWaalsContact CD1-CG2 3.5Å; I238-T245 HydrophobicContact CG1-CG2 3.96Å; V239-T245 WeakPolarHBondContact O-CA 3.27Å; T245-A256 WeakPolarHBondContact O-CA 3.36Å; T245-W257 HydrophobicContact CG2-CD2 4.49Å; T245-W257 HydrophobicContact CG2-CH2 3.76Å; T245-W257 HydrophobicContact CG2-CZ2 3.29Å; T245-W257 HydrophobicContact CG2-CZ3 4.49Å; T245-W257 PolarHBondContact N-O 2.96Å; T245-W257 PolarHBondContact O-N 3.12Å
246L98.9Very high97.4Very high0 Ų027.2 Ų27.20%013%0.132CC..EExtended strand (participates in β ladder)trans-118.3138.5173.1-51.4176.6000109I238 V239 L254 Y255 A256 I289 A291 W310I238-L246 WeakPolarHBondContact CD1-O 3.3Å; V239-L246 HydrophobicContact CG2-CB 3.77Å; V239-L246 HydrophobicContact CG2-CD1 4.11Å; V239-L246 HydrophobicContact CG2-CG 4.28Å; V239-L246 PolarHBondContact N-O 3.44Å; V239-L246 PolarHBondContact O-N 2.76Å; L246-L254 HydrophobicContact CB-CD1 4.28Å; L246-Y255 CarbonylContact C-O 3.48Å; L246-Y255 VanDerWaalsContact CA-O 3.28Å; L246-Y255 WeakPolarHBondContact CA-O 3.37Å; L246-A256 HydrophobicContact CD2-CB 3.48Å; L246-A256 VanDerWaalsContact CD2-CB 3.48Å; L246-I289 HydrophobicContact CB-CD1 3.88Å; L246-I289 WeakPolarHBondContact O-CD1 3.17Å; L246-A291 HydrophobicContact CD1-CB 4.15Å; L246-W310 HydrophobicContact CD1-CZ2 4.24Å; L246-W310 HydrophobicContact CD2-CZ2 4.42Å
247A98.7Very high97.6Very high0 Ų023.5 Ų23.50%011%0.112CC..EExtended strand (participates in β ladder)trans-124.2138.8172.400000110.6V235 Q237 I238 Y255 W257V235-A247 HydrophobicContact CG1-CB 3.9Å; V235-A247 HydrophobicContact CG2-CB 4.26Å; Q237-A247 WeakPolarHBondContact O-CA 3.39Å; I238-A247 HydrophobicContact CD1-CB 3.81Å; A247-Y255 PolarHBondContact N-O 3.4Å; A247-Y255 PolarHBondContact O-N 3.4Å; A247-W257 HydrophobicContact CB-CH2 3.76Å; A247-W257 HydrophobicContact CB-CZ3 3.71Å
248L98.4Very high97.6Very high4 Ų421.2 Ų21.22%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-110.8134.2173-178.560.1000108.3V235 N236 Q237 V286 I289V235-L248 WeakPolarHBondContact CA-O 3.37Å; V235-L248 WeakPolarHBondContact CG1-O 3.06Å; N236-L248 PolarHBondContact N-O 2.84Å; N236-L248 WeakPolarHBondContact OD1-CB 3.42Å; N236-L248 WeakPolarHBondContact OD1-CG 3.45Å; N236-L248 PolarHBondContact OD1-O 3.16Å; Q237-L248 HydrophobicContact CB-CB 4.02Å; Q237-L248 PolarHBondContact N-O 2.87Å; Q237-L248 PolarHBondContact O-N 2.63Å; L248-V286 HydrophobicContact CD1-CB 3.68Å; L248-V286 HydrophobicContact CD1-CG1 3.65Å; L248-V286 HydrophobicContact CD2-CG1 4.49Å; L248-I289 HydrophobicContact CB-CD1 3.75Å; L248-I289 HydrophobicContact CB-CG1 4Å; L248-I289 HydrophobicContact CB-CG2 4.11Å; L248-I289 HydrophobicContact CD1-CG2 4.4Å; L248-I289 HydrophobicContact CD2-CG2 4.47Å
249T97.4Very high97.6Very high1 Ų121 Ų211%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-92.3163.4175.9720000112V233 C234 N236 E251 G252 L253 Y255V233-T249 HydrophobicContact CB-CG2 3.87Å; V233-T249 HydrophobicContact CG1-CG2 4.47Å; V233-T249 HydrophobicContact CG2-CG2 4.06Å; C234-T249 CarbonylContact O-C 3.56Å; C234-T249 WeakPolarHBondContact O-CA 3.35Å; C234-T249 VanDerWaalsContact O-CB 3.32Å; C234-T249 WeakPolarHBondContact O-CB 3.35Å; N236-T249 PolarHBondContact ND2-O 2.82Å; T249-E251 PolarHBondContact O-N 3.35Å; T249-E251 PolarHBondContact OG1-N 3.09Å; T249-G252 WeakPolarHBondContact O-CA 3.45Å; T249-G252 PolarHBondContact O-N 3.47Å; T249-G252 PolarHBondContact OG1-N 3.04Å; T249-L253 HydrophobicContact CG2-CB 4.13Å; T249-L253 PolarHBondContact N-O 3.32Å; T249-L253 WeakPolarHBondContact OG1-CB 3.3Å; T249-L253 PolarHBondContact OG1-N 3.2Å; T249-Y255 HydrophobicContact CG2-CD2 3.95Å; T249-Y255 HydrophobicContact CG2-CE2 3.72Å
250D94.3Very high97.6Very high74 Ų7420.4 Ų20.440%0.39610%0.098SC..THydrogen-bonded Turntrans-63.9-16.4167.868.1-22.2000113.8C234 G252 R285C234-D250 HydrophobicContact CB-CB 4.43Å; C234-D250 WeakPolarHBondContact CB-OD1 3.37Å; C234-D250 WeakPolarHBondContact CB-OD2 3.49Å; C234-D250 PolarHBondContact O-N 3.05Å; D250-G252 VanDerWaalsContact C-N 3.32Å; D250-R285 PolarHBondContact O-NH1 3.29Å; D250-R285 PolarHBondContact O-NH2 3.38Å
251E93.3Very high97.6Very high130 Ų13024.2 Ų24.261%0.60712%0.121SC*.THydrogen-bonded Turntrans-85.1-6.8168.3-65.6-175.1168.600112.8T249 L253 R285T249-E251 PolarHBondContact O-N 3.35Å; T249-E251 PolarHBondContact OG1-N 3.09Å; E251-L253 HydrophobicContact CB-CD1 4.45Å; E251-L253 HydrophobicContact CB-CG 4.16Å; E251-R285 VanDerWaalsContact CA-NH1 3.31Å; E251-R285 PolarHBondContact O-NH1 3.21Å
252G94.3Very high97.6Very high4 Ų428.2 Ų28.24%0.04114%0.137CC..  trans75.128.4-178.200000113.7T249 D250 V286T249-G252 WeakPolarHBondContact O-CA 3.45Å; T249-G252 PolarHBondContact O-N 3.47Å; T249-G252 PolarHBondContact OG1-N 3.04Å; D250-G252 VanDerWaalsContact C-N 3.32Å; G252-V286 VanDerWaalsContact CA-O 3.31Å; G252-V286 WeakPolarHBondContact CA-O 3.38Å; G252-V286 WeakPolarHBondContact O-CB 3.47Å; G252-V286 PolarHBondContact O-N 3.48Å
253L95.6Very high97.6Very high51 Ų5123.3 Ų23.327%0.26712%0.117SC..  trans-86.4136.9171.5-54.6177.7000109.5T249 E251 Y255T249-L253 HydrophobicContact CG2-CB 4.13Å; T249-L253 PolarHBondContact N-O 3.32Å; T249-L253 WeakPolarHBondContact OG1-CB 3.3Å; T249-L253 PolarHBondContact OG1-N 3.2Å; E251-L253 HydrophobicContact CB-CD1 4.45Å; E251-L253 HydrophobicContact CB-CG 4.16Å; L253-Y255 HydrophobicContact CB-CD2 4.42Å; L253-Y255 HydrophobicContact CB-CE2 3.8Å; L253-Y255 HydrophobicContact CD1-CE2 4.41Å
254L97.9Very high97.6Very high1 Ų123 Ų231%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-98128.3177.1175.656.1000110.4L246 H278 I279 V281 V286 I289 A300 W310L246-L254 HydrophobicContact CB-CD1 4.28Å; L254-H278 CarbonylContact O-C 3.59Å; L254-H278 WeakPolarHBondContact O-CA 3.47Å; L254-H278 PolarHBondContact O-CD2 3.09Å; L254-H278 VanDerWaalsContact O-CD2 3.29Å; L254-I279 HydrophobicContact CB-CB 4.47Å; L254-I279 HydrophobicContact CD2-CB 4.12Å; L254-I279 HydrophobicContact CD2-CG2 4.3Å; L254-I279 HydrophobicContact CG-CB 4.03Å; L254-I279 HydrophobicContact CG-CG1 4.42Å; L254-I279 PolarHBondContact O-N 3.02Å; L254-V281 HydrophobicContact CD2-CG2 3.75Å; L254-V286 HydrophobicContact CB-CG2 4.36Å; L254-I289 HydrophobicContact CD1-CG2 3.59Å; L254-A300 HydrophobicContact CD2-CB 4.33Å; L254-W310 HydrophobicContact CD2-CH2 3.6Å; L254-W310 HydrophobicContact CD2-CZ2 3.85Å
255Y98.6Very high97.6Very high39 Ų3923 Ų2315%0.15312%0.115CC..EExtended strand (participates in β ladder)trans-117.6143.6171.2-70.2-99.9000111L230 V233 L246 A247 T249 L253 P276 A277 H278L230-Y255 HydrophobicContact CD2-CD1 3.9Å; L230-Y255 HydrophobicContact CD2-CD2 4.4Å; L230-Y255 HydrophobicContact CD2-CE1 4.26Å; L230-Y255 HydrophobicContact CD2-CG 3.98Å; V233-Y255 HydrophobicContact CG1-CE2 4.4Å; L246-Y255 CarbonylContact C-O 3.48Å; L246-Y255 VanDerWaalsContact CA-O 3.28Å; L246-Y255 WeakPolarHBondContact CA-O 3.37Å; A247-Y255 PolarHBondContact N-O 3.4Å; A247-Y255 PolarHBondContact O-N 3.4Å; T249-Y255 HydrophobicContact CG2-CD2 3.95Å; T249-Y255 HydrophobicContact CG2-CE2 3.72Å; L253-Y255 HydrophobicContact CB-CD2 4.42Å; L253-Y255 HydrophobicContact CB-CE2 3.8Å; L253-Y255 HydrophobicContact CD1-CE2 4.41Å; Y255-P276 HydrophobicContact CD1-CB 4.17Å; Y255-A277 CarbonylContact C-O 3.16Å; Y255-A277 VanDerWaalsContact CA-O 3.25Å; Y255-A277 WeakPolarHBondContact CA-O 3.47Å; Y255-H278 HydrophobicContact CD1-CB 4.23Å; Y255-H278 HydrophobicContact CE1-CB 3.84Å
256A98.7Very high97.6Very high0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-136.8146.4175.900000112.3T245 L246 L265 A277 I279T245-A256 WeakPolarHBondContact O-CA 3.36Å; L246-A256 HydrophobicContact CD2-CB 3.48Å; L246-A256 VanDerWaalsContact CD2-CB 3.48Å; A256-L265 HydrophobicContact CB-CB 4.16Å; A256-L265 HydrophobicContact CB-CD2 4.03Å; A256-A277 PolarHBondContact N-O 3.49Å; A256-A277 PolarHBondContact O-N 3.32Å; A256-I279 HydrophobicContact CB-CD1 3.98Å; A256-I279 HydrophobicContact CB-CG1 3.61Å
257W98.9Very high97.5Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-156.5171.1172.66294000112.8M194 Q212 G214 L230 I238 H244 T245 A247 L265 L273 P276M194-W257 HydrophobicContact CE-CZ2 4.33Å; Q212-W257 VanDerWaalsContact O-CD1 3.3Å; Q212-W257 PolarHBondContact O-NE1 3.25Å; G214-W257 VanDerWaalsContact N-CD1 3.26Å; L230-W257 HydrophobicContact CD1-CH2 3.86Å; L230-W257 HydrophobicContact CD1-CZ3 4.1Å; I238-W257 HydrophobicContact CD1-CH2 3.7Å; I238-W257 HydrophobicContact CD1-CZ2 4.09Å; H244-W257 WeakPolarHBondContact CA-O 3.34Å; H244-W257 WeakPolarHBondContact CB-O 3.29Å; T245-W257 HydrophobicContact CG2-CD2 4.49Å; T245-W257 HydrophobicContact CG2-CH2 3.76Å; T245-W257 HydrophobicContact CG2-CZ2 3.29Å; T245-W257 HydrophobicContact CG2-CZ3 4.49Å; T245-W257 PolarHBondContact N-O 2.96Å; T245-W257 PolarHBondContact O-N 3.12Å; A247-W257 HydrophobicContact CB-CH2 3.76Å; A247-W257 HydrophobicContact CB-CZ3 3.71Å; W257-L265 WeakPolarHBondContact O-CD2 3.12Å; W257-L273 HydrophobicContact CB-CB 4.44Å; W257-P276 HydrophobicContact CD2-CB 4.2Å; W257-P276 HydrophobicContact CD2-CG 3.77Å; W257-P276 HydrophobicContact CE3-CB 3.57Å; W257-P276 HydrophobicContact CE3-CG 3.57Å; W257-P276 HydrophobicContact CG-CG 4.31Å; W257-P276 HydrophobicContact CH2-CG 4.37Å; W257-P276 HydrophobicContact CZ3-CB 3.96Å; W257-P276 HydrophobicContact CZ3-CG 3.9Å
258G98.8Very high97.4Very high0 Ų026.6 Ų26.60%015%0.145CC..EExtended strand (participates in β ladder)trans102.3-146.7-179.300000113.6N210 N272 L273N210-G258 CarbonylContact O-C 3.31Å; N210-G258 WeakPolarHBondContact O-CA 3.43Å; G258-N272 CarbonylContact O-C 3.53Å; G258-N272 VanDerWaalsContact O-CA 3.22Å; G258-N272 WeakPolarHBondContact O-CA 3.43Å; G258-N272 WeakPolarHBondContact O-CB 3.15Å; G258-L273 WeakPolarHBondContact CA-O 3.44Å; G258-L273 PolarHBondContact N-O 3.49Å; G258-L273 PolarHBondContact O-N 2.46Å
259A98.7Very high97.3Very high6 Ų629.2 Ų29.25%0.0516%0.159CC..  trans-65.3141-179.800000111.7N210 A243 Q264 N272N210-A259 HydrophobicContact CB-CB 3.82Å; A243-A259 HydrophobicContact CB-CB 3.82Å; A243-A259 VanDerWaalsContact O-CB 3.25Å; A243-A259 WeakPolarHBondContact O-CB 3.26Å; A243-A259 PolarHBondContact O-N 3.32Å; A259-Q264 WeakPolarHBondContact O-CG 3.39Å; A259-Q264 PolarHBondContact O-NE2 3.35Å; A259-N272 WeakPolarHBondContact CA-OD1 3.32Å
260N98.4Very high97.3Very high0 Ų034.4 Ų34.40%018%0.181CC..  trans-137.917-177.4-160.523.6000114.5Y262 G263 Q264 L265 T267 N269 K270 N271 N272N260-Y262 PolarHBondContact O-N 3.02Å; N260-G263 PolarHBondContact O-N 3.32Å; N260-G263 WeakPolarHBondContact OD1-CA 3.48Å; N260-Q264 PolarHBondContact OD1-N 2.96Å; N260-Q264 VanDerWaalsContact OD1-N 3.14Å; N260-L265 HydrophobicContact CB-CB 4.39Å; N260-L265 HydrophobicContact CB-CD1 3.64Å; N260-L265 HydrophobicContact CB-CG 3.67Å; N260-L265 VanDerWaalsContact CG-CG 3.5Å; N260-L265 WeakPolarHBondContact OD1-CB 3.49Å; N260-L265 WeakPolarHBondContact OD1-CG 3.48Å; N260-L265 PolarHBondContact OD1-N 3.11Å; N260-T267 PolarHBondContact ND2-OG1 3.14Å; N260-N269 PolarHBondContact ND2-O 3.36Å; N260-K270 CarbonylContact C-O 3.58Å; N260-K270 CarbonylContact O-C 3.46Å; N260-K270 VanDerWaalsContact O-CA 3.26Å; N260-K270 WeakPolarHBondContact O-CA 3.48Å; N260-N271 WeakPolarHBondContact CB-O 3.31Å; N260-N271 PolarHBondContact ND2-O 2.8Å; N260-N272 PolarHBondContact N-OD1 2.78Å
261T98Very high97.5Very high85 Ų8536.1 Ų36.152%0.52119%0.191SC..THydrogen-bonded Turntrans-56.4-26.2-174.4-45.40000114K270T261-K270 WeakPolarHBondContact O-CD 3.43Å
262Y97.8Very high97.7Very high85 Ų8532.8 Ų32.833%0.33318%0.177SC..THydrogen-bonded Turntrans-105.83177.6-59.6-76.1000113.6N260 H296 G311 Q312 S317N260-Y262 PolarHBondContact O-N 3.02Å; Y262-H296 HydrophobicContact CD2-CB 3.73Å; Y262-H296 AromaticContact CD2-CD2 3.8Å; Y262-H296 AromaticContact CD2-CG 3.55Å; Y262-H296 AromaticContact CD2-ND1 3.93Å; Y262-H296 HydrophobicContact CE2-CB 4.41Å; Y262-H296 AromaticContact CE2-CD2 3.57Å; Y262-H296 AromaticContact CE2-CG 3.8Å; Y262-H296 AromaticContact CE2-NE2 3.73Å; Y262-H296 HydrophobicContact CG-CB 4.33Å; Y262-G311 CarbonylContact O-C 3.58Å; Y262-Q312 HydrophobicContact CD1-CB 4.17Å; Y262-Q312 HydrophobicContact CD1-CG 4.04Å; Y262-Q312 HydrophobicContact CD2-CB 4.48Å; Y262-Q312 HydrophobicContact CE1-CG 4.46Å; Y262-Q312 HydrophobicContact CG-CB 3.93Å; Y262-Q312 HydrophobicContact CG-CG 4.3Å; Y262-S317 WeakPolarHBondContact O-CA 3.27Å; Y262-S317 WeakPolarHBondContact O-CB 3.17Å; Y262-S317 PolarHBondContact O-OG 2.99Å
263G97.9Very high97.9Very high0 Ų034.8 Ų34.80%019%0.187CC..SBendtrans86.713.2-17600000114.4N260 L265 G266N260-G263 PolarHBondContact O-N 3.32Å; N260-G263 WeakPolarHBondContact OD1-CA 3.48Å; G263-L265 PolarHBondContact O-N 3.24Å; G263-G266 PolarHBondContact O-N 2.93Å
264Q98.3Very high98.1Very high1 Ų135 Ų351%0.00519%0.187CC..THydrogen-bonded Turntrans-64.1-8.1-175.163.3-100.149.800114.8H244 A259 N260 H296 S298 W310 G311H244-Q264 HydrophobicContact CB-CG 4.01Å; A259-Q264 WeakPolarHBondContact O-CG 3.39Å; A259-Q264 PolarHBondContact O-NE2 3.35Å; N260-Q264 PolarHBondContact OD1-N 2.96Å; N260-Q264 VanDerWaalsContact OD1-N 3.14Å; Q264-H296 VanDerWaalsContact CB-O 3.23Å; Q264-H296 WeakPolarHBondContact CB-O 3.46Å; Q264-S298 PolarHBondContact O-OG 3.05Å; Q264-W310 VanDerWaalsContact C-CD1 3.49Å; Q264-W310 VanDerWaalsContact O-CD1 3.31Å; Q264-W310 PolarHBondContact O-NE1 3.02Å; Q264-G311 VanDerWaalsContact CA-CA 3.47Å
265L98.5Very high98.1Very high0 Ų037.4 Ų37.40%020%0.204CC..THydrogen-bonded Turntrans-89.1-13.5171.2-53.5-172.9000113.1H244 A256 W257 N260 G263 T267 L273 I279H244-L265 HydrophobicContact CB-CD2 3.84Å; A256-L265 HydrophobicContact CB-CB 4.16Å; A256-L265 HydrophobicContact CB-CD2 4.03Å; W257-L265 WeakPolarHBondContact O-CD2 3.12Å; N260-L265 HydrophobicContact CB-CB 4.39Å; N260-L265 HydrophobicContact CB-CD1 3.64Å; N260-L265 HydrophobicContact CB-CG 3.67Å; N260-L265 VanDerWaalsContact CG-CG 3.5Å; N260-L265 WeakPolarHBondContact OD1-CB 3.49Å; N260-L265 WeakPolarHBondContact OD1-CG 3.48Å; N260-L265 PolarHBondContact OD1-N 3.11Å; G263-L265 PolarHBondContact O-N 3.24Å; L265-T267 VanDerWaalsContact C-N 3.31Å; L265-T267 HydrophobicContact CB-CG2 3.95Å; L265-T267 PolarHBondContact O-N 3.4Å; L265-L273 HydrophobicContact CD1-CB 3.77Å; L265-L273 HydrophobicContact CD1-CD1 3.87Å; L265-L273 HydrophobicContact CD1-CG 3.68Å; L265-I279 WeakPolarHBondContact O-CD1 3.24Å; L265-I279 WeakPolarHBondContact O-CG1 3.28Å
266G97.6Very high98.1Very high5 Ų536.4 Ų36.45%0.05220%0.203CC..  trans70.623.5178.100000114.3G263 W310 I319G263-G266 PolarHBondContact O-N 2.93Å; G266-W310 VanDerWaalsContact N-CD1 3.31Å; G266-I319 CarbonylContact C-O 3.59Å; G266-I319 WeakPolarHBondContact CA-O 3.32Å
267T96.8Very high98Very high39 Ų3937.9 Ų37.924%0.23922%0.215CC..SBendtrans-94.29.2-171.9550000114.9N260 L265 N269 L273 I279 I319N260-T267 PolarHBondContact ND2-OG1 3.14Å; L265-T267 VanDerWaalsContact C-N 3.31Å; L265-T267 HydrophobicContact CB-CG2 3.95Å; L265-T267 PolarHBondContact O-N 3.4Å; T267-N269 PolarHBondContact O-N 3.34Å; T267-N269 PolarHBondContact O-ND2 2.89Å; T267-L273 HydrophobicContact CG2-CD1 3.91Å; T267-I279 HydrophobicContact CG2-CD1 3.48Å; T267-I279 VanDerWaalsContact CG2-CD1 3.48Å; T267-I319 PolarHBondContact N-O 2.8Å
268G96.6Very high97.9Very high34 Ų3441.8 Ų41.835%0.35123%0.233SC..SBendtrans72.611.4-177.500000114.3I319G268-I319 WeakPolarHBondContact CA-O 3.13Å; G268-I319 PolarHBondContact N-O 3.26Å
269N96.5Very high97.7Very high59 Ų5942 Ų4232%0.31624%0.235SC..SBendtrans-149.5-176175.766.974000110.5N260 T267 N271N260-N269 PolarHBondContact ND2-O 3.36Å; T267-N269 PolarHBondContact O-N 3.34Å; T267-N269 PolarHBondContact O-ND2 2.89Å; N269-N271 WeakPolarHBondContact OD1-CB 3.22Å; N269-N271 PolarHBondContact OD1-N 3.13Å
270K97.8Very high97Very high109 Ų10948.2 Ų48.247%0.47426%0.264SS..  trans-115.716.5-177.1-62.7-177.1175.6-163.60114.1N260 T261 S317 I319N260-K270 CarbonylContact C-O 3.58Å; N260-K270 CarbonylContact O-C 3.46Å; N260-K270 VanDerWaalsContact O-CA 3.26Å; N260-K270 WeakPolarHBondContact O-CA 3.48Å; T261-K270 WeakPolarHBondContact O-CD 3.43Å; K270-S317 WeakPolarHBondContact CE-OG 3.43Å; K270-S317 PolarHBondContact NZ-OG 3.33Å; K270-I319 HydrophobicContact CG-CG2 4.07Å
271N98.1Very high95.9Very high111 Ų11148.6 Ų48.659%0.59427%0.266SS*.  trans-84133.8-178.5-62.4-42.9000110.4N260 N269N260-N271 WeakPolarHBondContact CB-O 3.31Å; N260-N271 PolarHBondContact ND2-O 2.8Å; N269-N271 WeakPolarHBondContact OD1-CB 3.22Å; N269-N271 PolarHBondContact OD1-N 3.13Å
272N98.5Very high94.6Very high60 Ų6049.7 Ų49.732%0.32127%0.265SS..  trans-60.9147.4172-65.3-4.9000110.1N210 G258 A259 N260N210-N272 PolarHBondContact OD1-ND2 2.91Å; G258-N272 CarbonylContact O-C 3.53Å; G258-N272 VanDerWaalsContact O-CA 3.22Å; G258-N272 WeakPolarHBondContact O-CA 3.43Å; G258-N272 WeakPolarHBondContact O-CB 3.15Å; A259-N272 WeakPolarHBondContact CA-OD1 3.32Å; N260-N272 PolarHBondContact N-OD1 2.78Å
273L98.6Very high93.7Very high46 Ų4655.7 Ų55.724%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-117.1123.5175.1-66.4-176.9000110.2W257 G258 L265 T267 S275 A277W257-L273 HydrophobicContact CB-CB 4.44Å; G258-L273 WeakPolarHBondContact CA-O 3.44Å; G258-L273 PolarHBondContact N-O 3.49Å; G258-L273 PolarHBondContact O-N 2.46Å; L265-L273 HydrophobicContact CD1-CB 3.77Å; L265-L273 HydrophobicContact CD1-CD1 3.87Å; L265-L273 HydrophobicContact CD1-CG 3.68Å; T267-L273 HydrophobicContact CG2-CD1 3.91Å; L273-S275 VanDerWaalsContact C-N 3.3Å; L273-A277 HydrophobicContact CD1-CB 3.52Å
274L98.6Very high93.1Very high54 Ų5458.6 Ų58.628%0.28331%0.307SS..EExtended strand (participates in β ladder)trans-83.2-12.7-179.7-50-172.8000112.7G214 L215 G216 N218G214-L274 CarbonylContact C-O 3.46Å; G214-L274 WeakPolarHBondContact CA-O 3.45Å; L215-L274 PolarHBondContact N-O 2.89Å; L215-L274 VanDerWaalsContact N-O 3.14Å; G216-L274 WeakPolarHBondContact CA-O 3.47Å; G216-L274 PolarHBondContact N-O 3.22Å; N218-L274 WeakPolarHBondContact OD1-CD2 3.43Å
275S98.3Very high92.8Very high52 Ų5263.2 Ų63.236%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-132.5148.5178.7-600000109.6G216 L273 A277G216-S275 WeakPolarHBondContact CA-OG 3.46Å; L273-S275 VanDerWaalsContact C-N 3.3Å; S275-A277 PolarHBondContact O-N 3.38Å
276P98.4Very high92.7Very high19 Ų1963.5 Ų63.512%0.12333%0.326CS..EExtended strand (participates in β ladder)trans-48.8129.6171.8-27.233.1000112.8G214 V227 A229 L230 Y255 W257G214-P276 WeakPolarHBondContact O-CD 3.2Å; V227-P276 HydrophobicContact CG1-CG 3.61Å; A229-P276 HydrophobicContact CB-CG 4.18Å; L230-P276 HydrophobicContact CD1-CB 4.4Å; L230-P276 HydrophobicContact CD1-CG 3.97Å; L230-P276 HydrophobicContact CD2-CB 3.72Å; L230-P276 HydrophobicContact CD2-CG 4.09Å; L230-P276 HydrophobicContact CG-CB 4.04Å; L230-P276 HydrophobicContact CG-CG 3.81Å; Y255-P276 HydrophobicContact CD1-CB 4.17Å; W257-P276 HydrophobicContact CD2-CB 4.2Å; W257-P276 HydrophobicContact CD2-CG 3.77Å; W257-P276 HydrophobicContact CE3-CB 3.57Å; W257-P276 HydrophobicContact CE3-CG 3.57Å; W257-P276 HydrophobicContact CG-CG 4.31Å; W257-P276 HydrophobicContact CH2-CG 4.37Å; W257-P276 HydrophobicContact CZ3-CB 3.96Å; W257-P276 HydrophobicContact CZ3-CG 3.9Å
277A97.5Very high92.6Very high31 Ų3166.6 Ų66.626%0.25634%0.344SS..EExtended strand (participates in β ladder)trans-120.6139.9170.600000110.2Y255 A256 L273 S275Y255-A277 CarbonylContact C-O 3.16Å; Y255-A277 VanDerWaalsContact CA-O 3.25Å; Y255-A277 WeakPolarHBondContact CA-O 3.47Å; A256-A277 PolarHBondContact N-O 3.49Å; A256-A277 PolarHBondContact O-N 3.32Å; L273-A277 HydrophobicContact CD1-CB 3.52Å; S275-A277 PolarHBondContact O-N 3.38Å
278H95.6Very high92.6Very high81 Ų8166.2 Ų66.238%0.37534%0.339SS..EExtended strand (participates in β ladder)trans-70.1127.7175.2-179.9-121.7000110.4L254 Y255L254-H278 CarbonylContact O-C 3.59Å; L254-H278 WeakPolarHBondContact O-CA 3.47Å; L254-H278 PolarHBondContact O-CD2 3.09Å; L254-H278 VanDerWaalsContact O-CD2 3.29Å; Y255-H278 HydrophobicContact CD1-CB 4.23Å; Y255-H278 HydrophobicContact CE1-CB 3.84Å
279I94.7Very high92.7Very high6 Ų664.6 Ų64.63%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-106.4117.1-178.8-50.3-52.7000108.6L254 A256 L265 T267 V281 P321L254-I279 HydrophobicContact CB-CB 4.47Å; L254-I279 HydrophobicContact CD2-CB 4.12Å; L254-I279 HydrophobicContact CD2-CG2 4.3Å; L254-I279 HydrophobicContact CG-CB 4.03Å; L254-I279 HydrophobicContact CG-CG1 4.42Å; L254-I279 PolarHBondContact O-N 3.02Å; A256-I279 HydrophobicContact CB-CD1 3.98Å; A256-I279 HydrophobicContact CB-CG1 3.61Å; L265-I279 WeakPolarHBondContact O-CD1 3.24Å; L265-I279 WeakPolarHBondContact O-CG1 3.28Å; T267-I279 HydrophobicContact CG2-CD1 3.48Å; T267-I279 VanDerWaalsContact CG2-CD1 3.48Å; I279-V281 HydrophobicContact CG2-CG2 4.45Å; I279-V281 PolarHBondContact O-N 3.42Å; I279-P321 HydrophobicContact CG2-CG 4.01Å
280M84.1Confident92.8Very high135 Ų13561.8 Ų61.867%0.66531%0.308SS*.  trans-75.7111.4179.7-66.3-81.2-66.500109.8
281V76.4Confident92.8Very high8 Ų856.9 Ų56.95%0.04829%0.287CS..  trans-114.490.5171.5-177.90000107.7L254 I279 V286 T302 Y308 P321L254-V281 HydrophobicContact CD2-CG2 3.75Å; I279-V281 HydrophobicContact CG2-CG2 4.45Å; I279-V281 PolarHBondContact O-N 3.42Å; V281-V286 HydrophobicContact CB-CG2 4.13Å; V281-V286 HydrophobicContact CG1-CG2 4.48Å; V281-T302 HydrophobicContact CG1-CG2 4.14Å; V281-Y308 HydrophobicContact CG1-CD1 4.11Å; V281-Y308 HydrophobicContact CG1-CD2 3.42Å; V281-Y308 VanDerWaalsContact CG1-CD2 3.42Å; V281-Y308 HydrophobicContact CG1-CE1 4.2Å; V281-Y308 HydrophobicContact CG1-CE2 3.55Å; V281-Y308 HydrophobicContact CG1-CG 3.74Å; V281-P321 HydrophobicContact CG2-CB 4.23Å; V281-P321 HydrophobicContact CG2-CG 3.99Å
282E71.3Confident92.8Very high108 Ų10851.8 Ų51.851%0.50526%0.26SS..THydrogen-bonded Turntrans45.9-166.1-171.2-75.8-172.3-156.100113.1E284 Y308E282-E284 VanDerWaalsContact C-N 3.3Å; E282-Y308 HydrophobicContact CG-CE1 4.47Å; E282-Y308 WeakPolarHBondContact CG-OH 3.23Å; E282-Y308 PolarHBondContact OE1-OH 3.24Å; E282-Y308 PolarHBondContact OE2-OH 2.94Å
283K76.9Confident92.5Very high212 Ų21249.6 Ų49.692%0.92225%0.248SC*.THydrogen-bonded Turntrans-96.620.8174.6-67.6-175.2178.3179.90111.9
284E85.9Confident92.3Very high61 Ų6148.4 Ų48.429%0.28524%0.244SC..SBendtrans-102.6150.8-179.1-67.2-166161.200111.6E282 V286 T302 H306E282-E284 VanDerWaalsContact C-N 3.3Å; E284-V286 PolarHBondContact O-N 3.07Å; E284-T302 HydrophobicContact CB-CG2 4.1Å; E284-T302 WeakPolarHBondContact OE2-CB 3.43Å; E284-T302 PolarHBondContact OE2-OG1 3.13Å; E284-H306 IonicContact OE1-CE1 2.63Å; E284-H306 IonicContact OE1-ND1 3.57Å; E284-H306 IonicContact OE2-CE1 2.74Å; E284-H306 IonicContact OE2-ND1 3.1Å; E284-H306 PolarHBondContact OE2-ND1 3.07Å; E284-H306 VanDerWaalsContact OE2-ND1 3.08Å
285R92.6Very high92.1Very high98 Ų9845.9 Ų45.937%0.3723%0.23SC..PPolyproline II helixtrans-64.7128.1174-171.7-172.9166.490.4-2.1110.4D250 E251 T302 Q303D250-R285 PolarHBondContact O-NH1 3.29Å; D250-R285 PolarHBondContact O-NH2 3.38Å; E251-R285 VanDerWaalsContact CA-NH1 3.31Å; E251-R285 PolarHBondContact O-NH1 3.21Å; R285-T302 CarbonylContact O-C 3.57Å; R285-T302 VanDerWaalsContact O-CA 3.27Å; R285-T302 WeakPolarHBondContact O-CA 3.45Å; R285-T302 WeakPolarHBondContact O-CB 3.35Å; R285-Q303 HydrophobicContact CB-CB 4.42Å; R285-Q303 HydrophobicContact CB-CG 4.14Å; R285-Q303 PolarHBondContact O-N 3.48Å
286V96.4Very high92.1Very high5 Ų544.9 Ų44.93%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-77.7137.7168.8-179.20000109.2L248 G252 L254 V281 E284 E288 I289 A300L248-V286 HydrophobicContact CD1-CB 3.68Å; L248-V286 HydrophobicContact CD1-CG1 3.65Å; L248-V286 HydrophobicContact CD2-CG1 4.49Å; G252-V286 VanDerWaalsContact CA-O 3.31Å; G252-V286 WeakPolarHBondContact CA-O 3.38Å; G252-V286 WeakPolarHBondContact O-CB 3.47Å; G252-V286 PolarHBondContact O-N 3.48Å; L254-V286 HydrophobicContact CB-CG2 4.36Å; V281-V286 HydrophobicContact CB-CG2 4.13Å; V281-V286 HydrophobicContact CG1-CG2 4.48Å; E284-V286 PolarHBondContact O-N 3.07Å; V286-E288 WeakPolarHBondContact CG1-O 3.41Å; V286-I289 HydrophobicContact CG1-CG2 3.88Å; V286-A300 HydrophobicContact CG1-CB 3.96Å
287V95.9Very high92.1Very high71 Ų7144 Ų4443%0.4321%0.214SC..EExtended strand (participates in β ladder)trans-121.1-15.5-178-61.20000113.5K301 Q303V287-K301 HydrophobicContact CG2-CB 4.5Å; V287-K301 HydrophobicContact CG2-CG 4.32Å; V287-K301 WeakPolarHBondContact CG2-O 3.49Å; V287-K301 PolarHBondContact N-O 2.89Å; V287-Q303 HydrophobicContact CG1-CB 3.83Å
288E96.9Very high92.2Very high31 Ų3142.5 Ų42.515%0.14520%0.202CC..EExtended strand (participates in β ladder)trans-148.7139.8176.5-173.4179.577.500109.3V286 A300 K301 T329 W343 R344V286-E288 WeakPolarHBondContact CG1-O 3.41Å; E288-A300 CarbonylContact O-C 3.6Å; E288-A300 WeakPolarHBondContact O-CA 3.34Å; E288-K301 HydrophobicContact CB-CB 4.09Å; E288-K301 PolarHBondContact N-O 3.45Å; E288-K301 PolarHBondContact O-N 3.02Å; E288-T329 HydrophobicContact CG-CG2 4.38Å; E288-T329 WeakPolarHBondContact OE1-CB 3.5Å; E288-T329 VanDerWaalsContact OE1-CG2 3.22Å; E288-T329 WeakPolarHBondContact OE1-CG2 3.33Å; E288-T329 PolarHBondContact OE1-OG1 3.49Å; E288-W343 HydrophobicContact CG-CH2 4.24Å; E288-W343 HydrophobicContact CG-CZ2 4.29Å; E288-R344 IonicContact OE1-NH2 3.61Å; E288-R344 IonicContact OE2-CZ 2.91Å; E288-R344 VanDerWaalsContact OE2-CZ 3.28Å; E288-R344 IonicContact OE2-NH1 2.69Å; E288-R344 PolarHBondContact OE2-NH1 2.91Å; E288-R344 IonicContact OE2-NH2 2.72Å; E288-R344 PolarHBondContact OE2-NH2 3.17Å
289I98.4Very high92.3Very high0 Ų038.7 Ų38.70%018%0.184CC..EExtended strand (participates in β ladder)trans-125.5147.1170.658.4170.1000110Q237 V239 L246 L248 L254 V286 A299 A300Q237-I289 HydrophobicContact CB-CD1 4.44Å; Q237-I289 HydrophobicContact CB-CG1 4.39Å; Q237-I289 HydrophobicContact CG-CD1 4.47Å; Q237-I289 HydrophobicContact CG-CG1 4.13Å; Q237-I289 PolarHBondContact NE2-O 3.47Å; V239-I289 HydrophobicContact CG1-CG1 4.39Å; V239-I289 HydrophobicContact CG2-CB 4.36Å; V239-I289 HydrophobicContact CG2-CD1 3.83Å; V239-I289 HydrophobicContact CG2-CG1 3.93Å; L246-I289 HydrophobicContact CB-CD1 3.88Å; L246-I289 WeakPolarHBondContact O-CD1 3.17Å; L248-I289 HydrophobicContact CB-CD1 3.75Å; L248-I289 HydrophobicContact CB-CG1 4Å; L248-I289 HydrophobicContact CB-CG2 4.11Å; L248-I289 HydrophobicContact CD1-CG2 4.4Å; L248-I289 HydrophobicContact CD2-CG2 4.47Å; L254-I289 HydrophobicContact CD1-CG2 3.59Å; V286-I289 HydrophobicContact CG1-CG2 3.88Å; I289-A299 WeakPolarHBondContact CA-O 3.39Å; I289-A300 HydrophobicContact CG2-CB 4.35Å
290A98.4Very high92.5Very high0 Ų038.4 Ų38.40%018%0.183CC..EExtended strand (participates in β ladder)trans-140.3131.7-177.500000111.7S298 A299 T329 F333 W343A290-S298 WeakPolarHBondContact O-CA 3.5Å; A290-A299 HydrophobicContact CB-CB 4.28Å; A290-A299 PolarHBondContact N-O 3.31Å; A290-A299 PolarHBondContact O-N 3.03Å; A290-T329 HydrophobicContact CB-CG2 4.22Å; A290-F333 HydrophobicContact CB-CD2 4.38Å; A290-F333 HydrophobicContact CB-CE2 3.63Å; A290-F333 HydrophobicContact CB-CZ 4.38Å; A290-W343 HydrophobicContact CB-CD2 3.56Å; A290-W343 VanDerWaalsContact CB-CE2 3.43Å; A290-W343 HydrophobicContact CB-CE3 4.09Å; A290-W343 HydrophobicContact CB-CG 3.87Å; A290-W343 HydrophobicContact CB-CH2 4.29Å; A290-W343 HydrophobicContact CB-CZ2 3.82Å; A290-W343 HydrophobicContact CB-CZ3 4.42Å
291A98.2Very high93.1Very high6 Ų634.8 Ų34.85%0.0516%0.163CC..EExtended strand (participates in β ladder)trans-150.4148.1171.400000108.2V239 C240 L246V239-A291 HydrophobicContact CB-CB 4.15Å; V239-A291 HydrophobicContact CG2-CB 3.71Å; C240-A291 CarbonylContact O-C 3.49Å; L246-A291 HydrophobicContact CD1-CB 4.15Å
292C96.3Very high94Very high4 Ų434.4 Ų34.43%0.02716%0.161CC..  trans-123.9134.4177.2-175.10000110.2Y81 C240 G241 S294 A295 F333 W343Y81-C292 PolarHBondContact OH-SG 3.21Å; Y81-C292 VanDerWaalsContact OH-SG 3.37Å; C240-C292 CarbonylContact O-C 3.53Å; C240-C292 VanDerWaalsContact O-C 3.3Å; G241-C292 CarbonylContact C-O 3.52Å; G241-C292 VanDerWaalsContact CA-O 3.23Å; G241-C292 WeakPolarHBondContact CA-O 3.36Å; C292-S294 PolarHBondContact O-N 2.87Å; C292-S294 PolarHBondContact SG-OG 2.97Å; C292-S294 VanDerWaalsContact SG-OG 3.39Å; C292-A295 HydrophobicContact CB-CB 4.42Å; C292-A295 PolarHBondContact O-N 3.24Å; C292-F333 HydrophobicContact CB-CD1 4.16Å; C292-F333 HydrophobicContact CB-CE1 3.67Å; C292-W343 HydrophobicContact CB-CB 3.98Å
293H94.1Very high95Very high13 Ų1335.2 Ų35.26%0.0617%0.165CC..THydrogen-bonded Turntrans-54.9-20.4-178.367.9-80.8000113.8Y81 S83 C188 Q190 C240 Y242Y81-H293 AromaticContact CD2-CE1 3.81Å; Y81-H293 AromaticContact CE2-CE1 3.62Å; Y81-H293 PolarHBondContact O-CE1 2.97Å; Y81-H293 PolarHBondContact O-NE2 2.93Å; Y81-H293 VanDerWaalsContact O-NE2 3.16Å; S83-H293 PolarHBondContact N-NE2 2.89Å; C188-H293 WeakPolarHBondContact O-CB 3.37Å; Q190-H293 WeakPolarHBondContact CG-O 3.32Å; Q190-H293 PolarHBondContact NE2-CD2 2.78Å; Q190-H293 PolarHBondContact NE2-O 3.44Å; C240-H293 PolarHBondContact O-N 3.02Å; Y242-H293 WeakPolarHBondContact CA-O 3.42Å
294S93.4Very high95.6Very high22 Ų2227.4 Ų27.415%0.15414%0.144CC..THydrogen-bonded Turntrans-94.7-2.9177.459.80000114.4C292 P339 V341C292-S294 PolarHBondContact O-N 2.87Å; C292-S294 PolarHBondContact SG-OG 2.97Å; C292-S294 VanDerWaalsContact SG-OG 3.39Å; S294-P339 WeakPolarHBondContact O-CD 3.45Å; S294-V341 WeakPolarHBondContact OG-CG2 3.49Å
295A95.3Very high95.8Very high0 Ų026 Ų260%015%0.146CC..  trans-126.4158.6-173.400000113.3Y242 C292 F333Y242-A295 WeakPolarHBondContact CB-O 3.39Å; Y242-A295 PolarHBondContact N-O 3.27Å; C292-A295 HydrophobicContact CB-CB 4.42Å; C292-A295 PolarHBondContact O-N 3.24Å; A295-F333 HydrophobicContact CB-CE1 4.43Å
296H97.5Very high95.9Very high32 Ų3224.7 Ų24.715%0.14814%0.144CC..SBendtrans-102.316.9171-55.8-74.2000112Y242 Y262 Q264 G311 Q312Y242-H296 AromaticContact CD1-CE1 3.47Å; Y242-H296 VanDerWaalsContact CD1-CE1 3.47Å; Y242-H296 WeakPolarHBondContact CD1-CE1 3.49Å; Y242-H296 AromaticContact CG-CE1 3.43Å; Y242-H296 VanDerWaalsContact CG-CE1 3.43Å; Y262-H296 HydrophobicContact CD2-CB 3.73Å; Y262-H296 AromaticContact CD2-CD2 3.8Å; Y262-H296 AromaticContact CD2-CG 3.55Å; Y262-H296 AromaticContact CD2-ND1 3.93Å; Y262-H296 HydrophobicContact CE2-CB 4.41Å; Y262-H296 AromaticContact CE2-CD2 3.57Å; Y262-H296 AromaticContact CE2-CG 3.8Å; Y262-H296 AromaticContact CE2-NE2 3.73Å; Y262-H296 HydrophobicContact CG-CB 4.33Å; Q264-H296 VanDerWaalsContact CB-O 3.23Å; Q264-H296 WeakPolarHBondContact CB-O 3.46Å; H296-G311 WeakPolarHBondContact O-CA 3.28Å; H296-Q312 HydrophobicContact CB-CB 3.79Å; H296-Q312 PolarHBondContact CD2-OE1 3.42Å; H296-Q312 VanDerWaalsContact CD2-OE1 3.28Å; H296-Q312 PolarHBondContact O-N 3.02Å
297T98.1Very high95.9Very high0 Ų024.5 Ų24.50%014%0.143CC..EExtended strand (participates in β ladder)trans-94.7144178.4-43.20000109.5Q312 V332 A337T297-Q312 PolarHBondContact OG1-O 3.36Å; T297-V332 HydrophobicContact CG2-CG1 4.07Å; T297-A337 HydrophobicContact CG2-CB 4.45Å; T297-A337 WeakPolarHBondContact OG1-CA 3.29Å
298S98.6Very high96Very high0 Ų021.4 Ų21.40%012%0.124CC..EExtended strand (participates in β ladder)trans-130.2145.5175.2-55.30000108.7H244 Q264 A290 M309 W310H244-S298 PolarHBondContact NE2-OG 3.06Å; Q264-S298 PolarHBondContact O-OG 3.05Å; A290-S298 WeakPolarHBondContact O-CA 3.5Å; S298-M309 WeakPolarHBondContact O-CA 3.32Å; S298-W310 PolarHBondContact N-O 3.25Å; S298-W310 PolarHBondContact O-N 3.13Å
299A98.5Very high96.1Very high0 Ų020.6 Ų20.60%012%0.12CC..EExtended strand (participates in β ladder)trans-142156.8175.400000111.2I289 A290 Y308 T329 V332 F333I289-A299 WeakPolarHBondContact CA-O 3.39Å; A290-A299 HydrophobicContact CB-CB 4.28Å; A290-A299 PolarHBondContact N-O 3.31Å; A290-A299 PolarHBondContact O-N 3.03Å; A299-Y308 WeakPolarHBondContact CA-O 3.31Å; A299-Y308 WeakPolarHBondContact CB-O 3.44Å; A299-T329 HydrophobicContact CB-CG2 3.98Å; A299-V332 HydrophobicContact CB-CB 4.1Å; A299-V332 HydrophobicContact CB-CG1 4.03Å; A299-V332 HydrophobicContact CB-CG2 4.09Å; A299-F333 HydrophobicContact CB-CE2 4.22Å
300A98.3Very high96.1Very high0 Ų020.6 Ų20.60%012%0.12CC..EExtended strand (participates in β ladder)trans-145.3152.8172.500000110.7L254 V286 E288 I289 V307 Y308 W310L254-A300 HydrophobicContact CD2-CB 4.33Å; V286-A300 HydrophobicContact CG1-CB 3.96Å; E288-A300 CarbonylContact O-C 3.6Å; E288-A300 WeakPolarHBondContact O-CA 3.34Å; I289-A300 HydrophobicContact CG2-CB 4.35Å; A300-V307 WeakPolarHBondContact O-CA 3.5Å; A300-Y308 PolarHBondContact N-O 2.83Å; A300-Y308 PolarHBondContact O-N 3.22Å; A300-W310 HydrophobicContact CB-CH2 3.71Å; A300-W310 HydrophobicContact CB-CZ3 3.89Å
301K96.9Very high96Very high59 Ų5920.6 Ų20.626%0.25712%0.12SC..EExtended strand (participates in β ladder)trans-120.5136.7172.1-177.2175.9174.5173.30110V287 E288 H306 V307 S327 T329V287-K301 HydrophobicContact CG2-CB 4.5Å; V287-K301 HydrophobicContact CG2-CG 4.32Å; V287-K301 WeakPolarHBondContact CG2-O 3.49Å; V287-K301 PolarHBondContact N-O 2.89Å; E288-K301 HydrophobicContact CB-CB 4.09Å; E288-K301 PolarHBondContact N-O 3.45Å; E288-K301 PolarHBondContact O-N 3.02Å; K301-H306 CarbonylContact C-O 3.54Å; K301-H306 VanDerWaalsContact CA-O 3.28Å; K301-H306 WeakPolarHBondContact CA-O 3.39Å; K301-V307 HydrophobicContact CB-CG2 4.3Å; K301-V307 HydrophobicContact CD-CG2 4.26Å; K301-V307 HydrophobicContact CG-CG2 4.06Å; K301-S327 WeakPolarHBondContact CE-O 3.45Å; K301-S327 PolarHBondContact NZ-O 2.91Å; K301-T329 HydrophobicContact CB-CG2 4.22Å
302T95.6Very high96Very high1 Ų121.9 Ų21.91%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-92.2165.4174.772.70000111.7V281 E284 R285 G304 G305 H306 Y308V281-T302 HydrophobicContact CG1-CG2 4.14Å; E284-T302 HydrophobicContact CB-CG2 4.1Å; E284-T302 WeakPolarHBondContact OE2-CB 3.43Å; E284-T302 PolarHBondContact OE2-OG1 3.13Å; R285-T302 CarbonylContact O-C 3.57Å; R285-T302 VanDerWaalsContact O-CA 3.27Å; R285-T302 WeakPolarHBondContact O-CA 3.45Å; R285-T302 WeakPolarHBondContact O-CB 3.35Å; T302-G304 PolarHBondContact O-N 3.36Å; T302-G304 PolarHBondContact OG1-N 3.23Å; T302-G305 PolarHBondContact O-N 3.42Å; T302-H306 PolarHBondContact N-O 2.72Å; T302-H306 WeakPolarHBondContact OG1-CB 3.39Å; T302-H306 PolarHBondContact OG1-N 2.78Å; T302-Y308 HydrophobicContact CG2-CD2 4.25Å; T302-Y308 HydrophobicContact CG2-CE2 3.65Å
303Q92.5Very high96Very high125 Ų12521.9 Ų21.958%0.58413%0.125SC*.THydrogen-bonded Turntrans-57.6-28.6174.568.2-179.18.100113.2R285 V287 G305R285-Q303 HydrophobicContact CB-CB 4.42Å; R285-Q303 HydrophobicContact CB-CG 4.14Å; R285-Q303 PolarHBondContact O-N 3.48Å; V287-Q303 HydrophobicContact CG1-CB 3.83Å; Q303-G305 PolarHBondContact O-N 3.34Å
304G88.9Confident95.9Very high47 Ų4729.8 Ų29.849%0.48515%0.154SC..THydrogen-bonded Turntrans-74.1-4.1175.700000113.9T302T302-G304 PolarHBondContact O-N 3.36Å; T302-G304 PolarHBondContact OG1-N 3.23Å
305G90.6Very high95.7Very high31 Ų3131.3 Ų31.332%0.3217%0.173SC..SBendtrans88.30.6-177.900000114.3T302 Q303T302-G305 PolarHBondContact O-N 3.42Å; Q303-G305 PolarHBondContact O-N 3.34Å
306H94.6Very high95.7Very high72 Ų7238.2 Ų38.233%0.33321%0.205SC..  trans-69130177.2-57.1114.6000110.8E284 K301 T302 Y308 L323E284-H306 IonicContact OE1-CE1 2.63Å; E284-H306 IonicContact OE1-ND1 3.57Å; E284-H306 IonicContact OE2-CE1 2.74Å; E284-H306 IonicContact OE2-ND1 3.1Å; E284-H306 PolarHBondContact OE2-ND1 3.07Å; E284-H306 VanDerWaalsContact OE2-ND1 3.08Å; K301-H306 CarbonylContact C-O 3.54Å; K301-H306 VanDerWaalsContact CA-O 3.28Å; K301-H306 WeakPolarHBondContact CA-O 3.39Å; T302-H306 PolarHBondContact N-O 2.72Å; T302-H306 WeakPolarHBondContact OG1-CB 3.39Å; T302-H306 PolarHBondContact OG1-N 2.78Å; H306-Y308 HydrophobicContact CB-CE2 3.67Å; H306-L323 HydrophobicContact CB-CD1 3.76Å
307V97.2Very high95.7Very high0 Ų038.7 Ų38.70%021%0.213CC..EExtended strand (participates in β ladder)trans-109.9125.8178.6177.50000109.9A300 K301 T324 F326 V332A300-V307 WeakPolarHBondContact O-CA 3.5Å; K301-V307 HydrophobicContact CB-CG2 4.3Å; K301-V307 HydrophobicContact CD-CG2 4.26Å; K301-V307 HydrophobicContact CG-CG2 4.06Å; V307-T324 WeakPolarHBondContact O-CB 3.48Å; V307-T324 PolarHBondContact O-N 3Å; V307-T324 PolarHBondContact O-OG1 3.47Å; V307-F326 HydrophobicContact CB-CB 4.28Å; V307-F326 HydrophobicContact CG1-CB 4.19Å; V307-F326 VanDerWaalsContact CG2-O 3.28Å; V307-F326 WeakPolarHBondContact CG2-O 3.4Å; V307-V332 HydrophobicContact CG1-CG2 3.68Å
308Y98Very high95.7Very high7 Ų740.2 Ų40.23%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-110.6148.5178.4-61.1-98.8000110.9V281 E282 A299 A300 T302 H306 P321 H322 L323V281-Y308 HydrophobicContact CG1-CD1 4.11Å; V281-Y308 HydrophobicContact CG1-CD2 3.42Å; V281-Y308 VanDerWaalsContact CG1-CD2 3.42Å; V281-Y308 HydrophobicContact CG1-CE1 4.2Å; V281-Y308 HydrophobicContact CG1-CE2 3.55Å; V281-Y308 HydrophobicContact CG1-CG 3.74Å; E282-Y308 HydrophobicContact CG-CE1 4.47Å; E282-Y308 WeakPolarHBondContact CG-OH 3.23Å; E282-Y308 PolarHBondContact OE1-OH 3.24Å; E282-Y308 PolarHBondContact OE2-OH 2.94Å; A299-Y308 WeakPolarHBondContact CA-O 3.31Å; A299-Y308 WeakPolarHBondContact CB-O 3.44Å; A300-Y308 PolarHBondContact N-O 2.83Å; A300-Y308 PolarHBondContact O-N 3.22Å; T302-Y308 HydrophobicContact CG2-CD2 4.25Å; T302-Y308 HydrophobicContact CG2-CE2 3.65Å; H306-Y308 HydrophobicContact CB-CE2 3.67Å; Y308-P321 HydrophobicContact CD1-CB 4.05Å; Y308-P321 HydrophobicContact CG-CB 4.37Å; Y308-H322 CarbonylContact C-O 3.58Å; Y308-H322 VanDerWaalsContact CA-O 3.24Å; Y308-H322 WeakPolarHBondContact CA-O 3.44Å; Y308-L323 HydrophobicContact CD1-CB 4.13Å; Y308-L323 HydrophobicContact CE1-CB 3.81Å; Y308-L323 HydrophobicContact CE1-CD1 4.02Å; Y308-L323 HydrophobicContact CE1-CG 4.47Å; Y308-L323 HydrophobicContact CE2-CD1 4.2Å
309M97.9Very high95.6Very high14 Ų1443.1 Ų43.17%0.06924%0.237CC..EExtended strand (participates in β ladder)trans-134.6147.6172.369.5-179.117900111.8S298 H322 T324 V332 F336S298-M309 WeakPolarHBondContact O-CA 3.32Å; M309-H322 PolarHBondContact N-O 3.09Å; M309-H322 WeakPolarHBondContact O-CB 3.21Å; M309-H322 PolarHBondContact O-N 3.36Å; M309-T324 HydrophobicContact CB-CG2 4.19Å; M309-T324 HydrophobicContact CE-CG2 3.94Å; M309-T324 HydrophobicContact CG-CG2 3.57Å; M309-T324 HydrophobicContact SD-CG2 3.74Å; M309-V332 HydrophobicContact CB-CB 4.45Å; M309-V332 HydrophobicContact CB-CG1 3.44Å; M309-V332 VanDerWaalsContact CB-CG1 3.44Å; M309-V332 HydrophobicContact CB-CG2 4.11Å; M309-V332 HydrophobicContact CG-CG1 4.37Å; M309-V332 HydrophobicContact SD-CG1 4.09Å; M309-F336 HydrophobicContact CE-CD1 3.78Å; M309-F336 HydrophobicContact CE-CD2 4.37Å; M309-F336 HydrophobicContact CE-CE1 3.84Å; M309-F336 HydrophobicContact CE-CE2 4.41Å; M309-F336 HydrophobicContact CE-CG 4.08Å; M309-F336 HydrophobicContact CE-CZ 4.16Å; M309-F336 HydrophobicContact SD-CB 3.94Å; M309-F336 HydrophobicContact SD-CD1 4.01Å; M309-F336 HydrophobicContact SD-CD2 4.04Å; M309-F336 HydrophobicContact SD-CG 3.74Å
310W98.4Very high95.6Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-157.2178.6173.563.493.6000111.5L246 L254 Q264 G266 S298 A300 V318 P321L246-W310 HydrophobicContact CD1-CZ2 4.24Å; L246-W310 HydrophobicContact CD2-CZ2 4.42Å; L254-W310 HydrophobicContact CD2-CH2 3.6Å; L254-W310 HydrophobicContact CD2-CZ2 3.85Å; Q264-W310 VanDerWaalsContact C-CD1 3.49Å; Q264-W310 VanDerWaalsContact O-CD1 3.31Å; Q264-W310 PolarHBondContact O-NE1 3.02Å; G266-W310 VanDerWaalsContact N-CD1 3.31Å; S298-W310 PolarHBondContact N-O 3.25Å; S298-W310 PolarHBondContact O-N 3.13Å; A300-W310 HydrophobicContact CB-CH2 3.71Å; A300-W310 HydrophobicContact CB-CZ3 3.89Å; W310-V318 HydrophobicContact CB-CG1 4.12Å; W310-P321 HydrophobicContact CD2-CB 4.42Å; W310-P321 HydrophobicContact CD2-CG 4.24Å; W310-P321 HydrophobicContact CE3-CB 3.81Å; W310-P321 HydrophobicContact CE3-CG 4.04Å; W310-P321 HydrophobicContact CZ3-CB 4.23Å; W310-P321 HydrophobicContact CZ3-CG 4.44Å
311G98.3Very high95.5Very high0 Ų049.3 Ų49.30%027%0.271CS..EExtended strand (participates in β ladder)trans87.4-144.1-171.700000112.7Y262 Q264 H296 C313 V318Y262-G311 CarbonylContact O-C 3.58Å; Q264-G311 VanDerWaalsContact CA-CA 3.47Å; H296-G311 WeakPolarHBondContact O-CA 3.28Å; G311-C313 PolarHBondContact O-N 2.99Å; G311-V318 PolarHBondContact N-O 3.26Å; G311-V318 PolarHBondContact O-N 2.78Å
312Q97.8Very high95.5Very high33 Ų3351.7 Ų51.715%0.15428%0.283CS..EExtended strand (participates in β ladder)trans-80.9106.6176.9-163.9176.920.300110.2Y262 H296 T297 Q316Y262-Q312 HydrophobicContact CD1-CB 4.17Å; Y262-Q312 HydrophobicContact CD1-CG 4.04Å; Y262-Q312 HydrophobicContact CD2-CB 4.48Å; Y262-Q312 HydrophobicContact CE1-CG 4.46Å; Y262-Q312 HydrophobicContact CG-CB 3.93Å; Y262-Q312 HydrophobicContact CG-CG 4.3Å; H296-Q312 HydrophobicContact CB-CB 3.79Å; H296-Q312 PolarHBondContact CD2-OE1 3.42Å; H296-Q312 VanDerWaalsContact CD2-OE1 3.28Å; H296-Q312 PolarHBondContact O-N 3.02Å; T297-Q312 PolarHBondContact OG1-O 3.36Å; Q312-Q316 CarbonylContact C-O 3.52Å; Q312-Q316 VanDerWaalsContact CA-O 3.32Å; Q312-Q316 WeakPolarHBondContact CA-O 3.45Å
313C96.3Very high95.6Very high4 Ų455.1 Ų55.13%0.02730%0.301CS..EExtended strand (participates in β ladder)trans-118.4110.6-178.9-57.90000109.3G311 G315 Q316 V318 F336G311-C313 PolarHBondContact O-N 2.99Å; C313-G315 PolarHBondContact O-N 3.16Å; C313-Q316 PolarHBondContact N-O 3.06Å; C313-Q316 WeakPolarHBondContact O-CB 3.48Å; C313-Q316 PolarHBondContact O-N 3.22Å; C313-V318 HydrophobicContact CB-CG2 4.04Å; C313-F336 CarbonylContact C-O 3Å; C313-F336 WeakPolarHBondContact CA-O 3.47Å; C313-F336 HydrophobicContact CB-CB 4.36Å; C313-F336 HydrophobicContact CB-CD1 4.28Å
314R91.2Very high95.7Very high179 Ų17950 Ų5068%0.67528%0.278SS*.THydrogen-bonded Turntrans46.844.6-173.3-56.8-173.581.5164.85.9113.4Q316 C335 F336R314-Q316 PolarHBondContact O-N 2.93Å; R314-C335 WeakPolarHBondContact CD-O 3.24Å; R314-F336 HydrophobicContact CB-CD1 4.48Å; R314-F336 HydrophobicContact CG-CB 4.26Å; R314-F336 HydrophobicContact CG-CD1 3.58Å; R314-F336 HydrophobicContact CG-CE1 4.18Å; R314-F336 HydrophobicContact CG-CG 4.09Å; R314-F336 PolarHBondContact N-O 3.05Å
315G90.3Very high96Very high54 Ų5457.2 Ų57.256%0.55730%0.299SS*.THydrogen-bonded Turntrans79-7-178.800000115.4C313C313-G315 PolarHBondContact O-N 3.16Å
316Q94.9Very high96.1Very high144 Ų14457.8 Ų57.867%0.67329%0.292SS*.EExtended strand (participates in β ladder)trans-90.3148.7174.3-62.6-167.6-26.500111.7Q312 C313 R314Q312-Q316 CarbonylContact C-O 3.52Å; Q312-Q316 VanDerWaalsContact CA-O 3.32Å; Q312-Q316 WeakPolarHBondContact CA-O 3.45Å; C313-Q316 PolarHBondContact N-O 3.06Å; C313-Q316 WeakPolarHBondContact O-CB 3.48Å; C313-Q316 PolarHBondContact O-N 3.22Å; R314-Q316 PolarHBondContact O-N 2.93Å
317S97.3Very high95.9Very high43 Ų4356.8 Ų56.830%0.30129%0.293SS..EExtended strand (participates in β ladder)trans-96.2107.8177.3178.70000109.7Y262 K270Y262-S317 WeakPolarHBondContact O-CA 3.27Å; Y262-S317 WeakPolarHBondContact O-CB 3.17Å; Y262-S317 PolarHBondContact O-OG 2.99Å; K270-S317 WeakPolarHBondContact CE-OG 3.43Å; K270-S317 PolarHBondContact NZ-OG 3.33Å
318V97.8Very high95.7Very high32 Ų3257.1 Ų57.119%0.19430%0.296CS..EExtended strand (participates in β ladder)trans-101.8106.3178.31800000107.7W310 G311 C313 L320 H322W310-V318 HydrophobicContact CB-CG1 4.12Å; G311-V318 PolarHBondContact N-O 3.26Å; G311-V318 PolarHBondContact O-N 2.78Å; C313-V318 HydrophobicContact CB-CG2 4.04Å; V318-L320 VanDerWaalsContact CG1-O 3.27Å; V318-L320 WeakPolarHBondContact CG1-O 3.16Å; V318-H322 HydrophobicContact CG1-CB 3.91Å
319I97.6Very high95.6Very high60 Ų6056.8 Ų56.831%0.30830%0.295SS..EExtended strand (participates in β ladder)trans-91.1-6.9-16962.6179.1000114.7G266 T267 G268 K270G266-I319 CarbonylContact C-O 3.59Å; G266-I319 WeakPolarHBondContact CA-O 3.32Å; T267-I319 PolarHBondContact N-O 2.8Å; G268-I319 WeakPolarHBondContact CA-O 3.13Å; G268-I319 PolarHBondContact N-O 3.26Å; K270-I319 HydrophobicContact CG-CG2 4.07Å
320L97.1Very high95.6Very high102 Ų10256.2 Ų56.253%0.53429%0.292SS..EExtended strand (participates in β ladder)trans-131.1149.6176.6-73.2170000109V318 H322V318-L320 VanDerWaalsContact CG1-O 3.27Å; V318-L320 WeakPolarHBondContact CG1-O 3.16Å; L320-H322 PolarHBondContact O-N 3.1Å; L320-H322 VanDerWaalsContact O-N 3.09Å
321P97.2Very high95.4Very high28 Ų2856.2 Ų56.218%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-51.6117172.4-25.934.9000111.4I279 V281 Y308 W310I279-P321 HydrophobicContact CG2-CG 4.01Å; V281-P321 HydrophobicContact CG2-CB 4.23Å; V281-P321 HydrophobicContact CG2-CG 3.99Å; Y308-P321 HydrophobicContact CD1-CB 4.05Å; Y308-P321 HydrophobicContact CG-CB 4.37Å; W310-P321 HydrophobicContact CD2-CB 4.42Å; W310-P321 HydrophobicContact CD2-CG 4.24Å; W310-P321 HydrophobicContact CE3-CB 3.81Å; W310-P321 HydrophobicContact CE3-CG 4.04Å; W310-P321 HydrophobicContact CZ3-CB 4.23Å; W310-P321 HydrophobicContact CZ3-CG 4.44Å
322H96.6Very high95.4Very high109 Ų10956.2 Ų56.251%0.50529%0.292SS..EExtended strand (participates in β ladder)trans-103.8121.9-179.9-175.882.3000109.9Y308 M309 V318 L320Y308-H322 CarbonylContact C-O 3.58Å; Y308-H322 VanDerWaalsContact CA-O 3.24Å; Y308-H322 WeakPolarHBondContact CA-O 3.44Å; M309-H322 PolarHBondContact N-O 3.09Å; M309-H322 WeakPolarHBondContact O-CB 3.21Å; M309-H322 PolarHBondContact O-N 3.36Å; V318-H322 HydrophobicContact CG1-CB 3.91Å; L320-H322 PolarHBondContact O-N 3.1Å; L320-H322 VanDerWaalsContact O-N 3.09Å
323L96.8Very high95.3Very high74 Ų7454.7 Ų54.739%0.38728%0.284SS..EExtended strand (participates in β ladder)trans-64.3136.2177.1179.262.7000110.7H306 Y308H306-L323 HydrophobicContact CB-CD1 3.76Å; Y308-L323 HydrophobicContact CD1-CB 4.13Å; Y308-L323 HydrophobicContact CE1-CB 3.81Å; Y308-L323 HydrophobicContact CE1-CD1 4.02Å; Y308-L323 HydrophobicContact CE1-CG 4.47Å; Y308-L323 HydrophobicContact CE2-CD1 4.2Å
324T96.3Very high95.3Very high17 Ų1754.8 Ų54.810%0.10429%0.286CS..EExtended strand (participates in β ladder)trans-119.4170.9179.273.80000111.3V307 M309 F326V307-T324 WeakPolarHBondContact O-CB 3.48Å; V307-T324 PolarHBondContact O-N 3Å; V307-T324 PolarHBondContact O-OG1 3.47Å; M309-T324 HydrophobicContact CB-CG2 4.19Å; M309-T324 HydrophobicContact CE-CG2 3.94Å; M309-T324 HydrophobicContact CG-CG2 3.57Å; M309-T324 HydrophobicContact SD-CG2 3.74Å; T324-F326 VanDerWaalsContact C-N 3.33Å; T324-F326 HydrophobicContact CG2-CD2 4.13Å; T324-F326 WeakPolarHBondContact OG1-CD2 3.47Å; T324-F326 PolarHBondContact OG1-N 3.38Å
325H94.2Very high95.5Very high199 Ų19948.3 Ų48.392%0.92127%0.268SS*.SBendtrans-95.615.6170.9-60.4-57000112.9
326F93.6Very high95.7Very high42 Ų4248.4 Ų48.418%0.18425%0.253CS..  trans-79.6157.2176.3-65.3-54.2000111.8V307 T324 D331 V332 C335 F336V307-F326 HydrophobicContact CB-CB 4.28Å; V307-F326 HydrophobicContact CG1-CB 4.19Å; V307-F326 VanDerWaalsContact CG2-O 3.28Å; V307-F326 WeakPolarHBondContact CG2-O 3.4Å; T324-F326 VanDerWaalsContact C-N 3.33Å; T324-F326 HydrophobicContact CG2-CD2 4.13Å; T324-F326 WeakPolarHBondContact OG1-CD2 3.47Å; T324-F326 PolarHBondContact OG1-N 3.38Å; F326-D331 HydrophobicContact CB-CB 3.81Å; F326-D331 HydrophobicContact CD1-CB 3.39Å; F326-D331 HydrophobicContact CD2-CB 4.22Å; F326-D331 HydrophobicContact CE1-CB 3.91Å; F326-D331 HydrophobicContact CG-CB 3.56Å; F326-D331 HydrophobicContact CZ-CB 4.5Å; F326-V332 HydrophobicContact CD2-CG2 3.9Å; F326-V332 HydrophobicContact CE2-CG2 4.48Å; F326-C335 HydrophobicContact CE1-CB 4.46Å; F326-C335 HydrophobicContact CZ-CB 3.75Å; F326-F336 AromaticContact CE2-CD2 3.67Å; F326-F336 HydrophobicContact CE2-CD2 3.67Å; F326-F336 AromaticContact CE2-CE2 3.67Å; F326-F336 HydrophobicContact CE2-CE2 3.67Å; F326-F336 AromaticContact CZ-CD2 3.87Å; F326-F336 HydrophobicContact CZ-CD2 3.87Å; F326-F336 AromaticContact CZ-CE2 3.65Å; F326-F336 HydrophobicContact CZ-CE2 3.65Å
327S89.5Confident95.8Very high51 Ų5141.9 Ų41.936%0.35722%0.223SC..SBendtrans-101.5-15.5-179.272.70000113.5K301K301-S327 WeakPolarHBondContact CE-O 3.45Å; K301-S327 PolarHBondContact NZ-O 2.91Å
328C93.1Very high95.6Very high8 Ų843.1 Ų43.15%0.05423%0.229CC..SBendtrans-145.4160.5177.865.80000111V2 D330 D331V2-C328 HydrophobicContact CG2-CB 4.44Å; C328-D330 VanDerWaalsContact C-N 3.28Å; C328-D330 PolarHBondContact O-N 2.99Å; C328-D331 PolarHBondContact SG-OD1 2.93Å
329T96.6Very high95.4Very high0 Ų042.8 Ų42.80%023%0.228CC..Hα-helixtrans-70.9-24.5177.857.20000112.5E288 A290 A299 K301 D331 V332 F333 W343E288-T329 HydrophobicContact CG-CG2 4.38Å; E288-T329 WeakPolarHBondContact OE1-CB 3.5Å; E288-T329 VanDerWaalsContact OE1-CG2 3.22Å; E288-T329 WeakPolarHBondContact OE1-CG2 3.33Å; E288-T329 PolarHBondContact OE1-OG1 3.49Å; A290-T329 HydrophobicContact CB-CG2 4.22Å; A299-T329 HydrophobicContact CB-CG2 3.98Å; K301-T329 HydrophobicContact CB-CG2 4.22Å; T329-D331 VanDerWaalsContact C-N 3.26Å; T329-D331 PolarHBondContact O-N 2.76Å; T329-V332 VanDerWaalsContact O-CB 3.29Å; T329-V332 WeakPolarHBondContact O-CB 3.24Å; T329-V332 PolarHBondContact O-N 3.08Å; T329-F333 WeakPolarHBondContact O-CD2 3.35Å; T329-F333 PolarHBondContact O-N 3.47Å; T329-W343 WeakPolarHBondContact OG1-CZ2 3.48Å; T329-W343 PolarHBondContact OG1-NE1 2.86Å
330D96.1Very high95.2Very high1 Ų141.1 Ų41.11%0.00522%0.223CC..Hα-helixtrans-59.5-37.4177.2-53.7-70.5000112V2 C328 V332 F333 A334 W343 R344 L346V2-D330 HydrophobicContact CG1-CB 4.33Å; C328-D330 VanDerWaalsContact C-N 3.28Å; C328-D330 PolarHBondContact O-N 2.99Å; D330-V332 VanDerWaalsContact C-N 3.28Å; D330-V332 PolarHBondContact O-N 3.49Å; D330-F333 PolarHBondContact O-N 3.35Å; D330-F333 VanDerWaalsContact O-N 3.11Å; D330-A334 PolarHBondContact O-N 3.45Å; D330-W343 PolarHBondContact OD1-NE1 2.68Å; D330-R344 IonicContact OD1-CZ 3.41Å; D330-R344 IonicContact OD1-NE 3.89Å; D330-R344 PolarHBondContact OD1-NE 3.34Å; D330-R344 VanDerWaalsContact OD1-NE 3.16Å; D330-R344 IonicContact OD1-NH2 2.73Å; D330-R344 IonicContact OD2-CZ 3.17Å; D330-R344 IonicContact OD2-NE 2.65Å; D330-R344 IonicContact OD2-NH2 3.65Å; D330-R344 PolarHBondContact OD2-NH2 3.3Å; D330-L346 HydrophobicContact CB-CD2 3.66Å; D330-L346 WeakPolarHBondContact OD1-CD2 3.33Å
331D95.6Very high95.1Very high1 Ų136.2 Ų36.21%0.00520%0.197CC..Hα-helixtrans-61.2-35.4175.4-65.4-24.1000112.6K6 F326 C328 T329 F333 A334 C335K6-D331 HydrophobicContact CD-CB 4.25Å; K6-D331 VanDerWaalsContact CD-OD1 3.25Å; K6-D331 WeakPolarHBondContact CD-OD1 2.89Å; K6-D331 IonicContact NZ-OD1 3.9Å; K6-D331 PolarHBondContact NZ-OD1 3.25Å; K6-D331 VanDerWaalsContact NZ-OD1 3.13Å; K6-D331 IonicContact NZ-OD2 2.65Å; K6-D331 PolarHBondContact NZ-OD2 3.45Å; F326-D331 HydrophobicContact CB-CB 3.81Å; F326-D331 HydrophobicContact CD1-CB 3.39Å; F326-D331 HydrophobicContact CD2-CB 4.22Å; F326-D331 HydrophobicContact CE1-CB 3.91Å; F326-D331 HydrophobicContact CG-CB 3.56Å; F326-D331 HydrophobicContact CZ-CB 4.5Å; C328-D331 PolarHBondContact SG-OD1 2.93Å; T329-D331 VanDerWaalsContact C-N 3.26Å; T329-D331 PolarHBondContact O-N 2.76Å; D331-F333 VanDerWaalsContact C-N 3.29Å; D331-F333 PolarHBondContact O-N 3.47Å; D331-A334 PolarHBondContact O-N 2.71Å; D331-C335 VanDerWaalsContact O-CB 3.32Å; D331-C335 WeakPolarHBondContact O-CB 3.24Å; D331-C335 PolarHBondContact O-N 3.2Å
332V97.1Very high95.1Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-61.9-43.2176.11770000109.5T297 A299 V307 M309 F326 T329 D330 F336 A337T297-V332 HydrophobicContact CG2-CG1 4.07Å; A299-V332 HydrophobicContact CB-CB 4.1Å; A299-V332 HydrophobicContact CB-CG1 4.03Å; A299-V332 HydrophobicContact CB-CG2 4.09Å; V307-V332 HydrophobicContact CG1-CG2 3.68Å; M309-V332 HydrophobicContact CB-CB 4.45Å; M309-V332 HydrophobicContact CB-CG1 3.44Å; M309-V332 VanDerWaalsContact CB-CG1 3.44Å; M309-V332 HydrophobicContact CB-CG2 4.11Å; M309-V332 HydrophobicContact CG-CG1 4.37Å; M309-V332 HydrophobicContact SD-CG1 4.09Å; F326-V332 HydrophobicContact CD2-CG2 3.9Å; F326-V332 HydrophobicContact CE2-CG2 4.48Å; T329-V332 VanDerWaalsContact O-CB 3.29Å; T329-V332 WeakPolarHBondContact O-CB 3.24Å; T329-V332 PolarHBondContact O-N 3.08Å; D330-V332 VanDerWaalsContact C-N 3.28Å; D330-V332 PolarHBondContact O-N 3.49Å; V332-F336 WeakPolarHBondContact O-CA 3.4Å; V332-F336 WeakPolarHBondContact O-CB 3.28Å; V332-F336 PolarHBondContact O-N 3.27Å; V332-A337 PolarHBondContact O-N 2.86Å
333F97Very high95.1Very high0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-71.9-39.2179.3-78.9-95.6000112.3W7 A290 C292 A295 A299 T329 D330 D331 C335 A337 A340 V341 W343W7-F333 HydrophobicContact CH2-CB 3.97Å; A290-F333 HydrophobicContact CB-CD2 4.38Å; A290-F333 HydrophobicContact CB-CE2 3.63Å; A290-F333 HydrophobicContact CB-CZ 4.38Å; C292-F333 HydrophobicContact CB-CD1 4.16Å; C292-F333 HydrophobicContact CB-CE1 3.67Å; A295-F333 HydrophobicContact CB-CE1 4.43Å; A299-F333 HydrophobicContact CB-CE2 4.22Å; T329-F333 WeakPolarHBondContact O-CD2 3.35Å; T329-F333 PolarHBondContact O-N 3.47Å; D330-F333 PolarHBondContact O-N 3.35Å; D330-F333 VanDerWaalsContact O-N 3.11Å; D331-F333 VanDerWaalsContact C-N 3.29Å; D331-F333 PolarHBondContact O-N 3.47Å; F333-C335 VanDerWaalsContact C-N 3.34Å; F333-C335 PolarHBondContact O-N 3.08Å; F333-A337 HydrophobicContact CB-CB 4.26Å; F333-A337 HydrophobicContact CD1-CB 3.67Å; F333-A337 HydrophobicContact CE1-CB 4.28Å; F333-A337 HydrophobicContact CG-CB 4.19Å; F333-A337 WeakPolarHBondContact O-CB 3.38Å; F333-A340 VanDerWaalsContact O-CA 3.31Å; F333-A340 WeakPolarHBondContact O-CA 3.49Å; F333-A340 WeakPolarHBondContact O-CB 3.5Å; F333-V341 WeakPolarHBondContact CB-O 3.31Å; F333-W343 HydrophobicContact CD1-CB 4.26Å; F333-W343 HydrophobicContact CD2-CB 4.41Å; F333-W343 AromaticContact CD2-CD1 3.55Å; F333-W343 HydrophobicContact CD2-CG 4.19Å; F333-W343 HydrophobicContact CE1-CB 4.2Å; F333-W343 HydrophobicContact CE2-CB 4.36Å; F333-W343 AromaticContact CE2-CD1 3.97Å; F333-W343 HydrophobicContact CE2-CG 4.25Å; F333-W343 HydrophobicContact CG-CB 4.38Å; F333-W343 AromaticContact CG-CD1 3.94Å; F333-W343 HydrophobicContact CZ-CB 4.27Å
334A95.6Very high95Very high7 Ų732 Ų326%0.05817%0.168CC..Hα-helixtrans-61.9-40.8176.100000112.5K6 W7 D330 D331 A340K6-A334 HydrophobicContact CB-CB 4.08Å; W7-A334 HydrophobicContact CD2-CB 3.72Å; W7-A334 HydrophobicContact CE3-CB 4.14Å; W7-A334 HydrophobicContact CG-CB 4.15Å; W7-A334 HydrophobicContact CH2-CB 4.13Å; W7-A334 HydrophobicContact CZ2-CB 3.75Å; W7-A334 HydrophobicContact CZ3-CB 4.32Å; D330-A334 PolarHBondContact O-N 3.45Å; D331-A334 PolarHBondContact O-N 2.71Å; A334-A340 WeakPolarHBondContact O-CB 3.07Å
335C94.9Very high95Very high43 Ų4332.3 Ų32.329%0.29117%0.169SC..Hα-helixtrans-102.9-28-169.7-66.10000114.8R314 F326 D331 F333R314-C335 WeakPolarHBondContact CD-O 3.24Å; F326-C335 HydrophobicContact CE1-CB 4.46Å; F326-C335 HydrophobicContact CZ-CB 3.75Å; D331-C335 VanDerWaalsContact O-CB 3.32Å; D331-C335 WeakPolarHBondContact O-CB 3.24Å; D331-C335 PolarHBondContact O-N 3.2Å; F333-C335 VanDerWaalsContact C-N 3.34Å; F333-C335 PolarHBondContact O-N 3.08Å
336F95.9Very high95Very high55 Ų5522.8 Ų22.824%0.24113%0.125CC..Hα-helixtrans-127.3-16.3-168.8-74.9-95.4000115.7M309 C313 R314 F326 V332M309-F336 HydrophobicContact CE-CD1 3.78Å; M309-F336 HydrophobicContact CE-CD2 4.37Å; M309-F336 HydrophobicContact CE-CE1 3.84Å; M309-F336 HydrophobicContact CE-CE2 4.41Å; M309-F336 HydrophobicContact CE-CG 4.08Å; M309-F336 HydrophobicContact CE-CZ 4.16Å; M309-F336 HydrophobicContact SD-CB 3.94Å; M309-F336 HydrophobicContact SD-CD1 4.01Å; M309-F336 HydrophobicContact SD-CD2 4.04Å; M309-F336 HydrophobicContact SD-CG 3.74Å; C313-F336 CarbonylContact C-O 3Å; C313-F336 WeakPolarHBondContact CA-O 3.47Å; C313-F336 HydrophobicContact CB-CB 4.36Å; C313-F336 HydrophobicContact CB-CD1 4.28Å; R314-F336 HydrophobicContact CB-CD1 4.48Å; R314-F336 HydrophobicContact CG-CB 4.26Å; R314-F336 HydrophobicContact CG-CD1 3.58Å; R314-F336 HydrophobicContact CG-CE1 4.18Å; R314-F336 HydrophobicContact CG-CG 4.09Å; R314-F336 PolarHBondContact N-O 3.05Å; F326-F336 AromaticContact CE2-CD2 3.67Å; F326-F336 HydrophobicContact CE2-CD2 3.67Å; F326-F336 AromaticContact CE2-CE2 3.67Å; F326-F336 HydrophobicContact CE2-CE2 3.67Å; F326-F336 AromaticContact CZ-CD2 3.87Å; F326-F336 HydrophobicContact CZ-CD2 3.87Å; F326-F336 AromaticContact CZ-CE2 3.65Å; F326-F336 HydrophobicContact CZ-CE2 3.65Å; V332-F336 WeakPolarHBondContact O-CA 3.4Å; V332-F336 WeakPolarHBondContact O-CB 3.28Å; V332-F336 PolarHBondContact O-N 3.27Å
337A95.3Very high94.9Very high7 Ų723.4 Ų23.46%0.05813%0.134CC..SBendtrans-72.6158174.700000112.2T297 V332 F333 P339 A340T297-A337 HydrophobicContact CG2-CB 4.45Å; T297-A337 WeakPolarHBondContact OG1-CA 3.29Å; V332-A337 PolarHBondContact O-N 2.86Å; F333-A337 HydrophobicContact CB-CB 4.26Å; F333-A337 HydrophobicContact CD1-CB 3.67Å; F333-A337 HydrophobicContact CE1-CB 4.28Å; F333-A337 HydrophobicContact CG-CB 4.19Å; F333-A337 WeakPolarHBondContact O-CB 3.38Å; A337-P339 CarbonylContact C-O 3.57Å; A337-P339 CarbonylContact O-C 3.56Å; A337-A340 PolarHBondContact O-N 2.77Å
338T93.1Very high94.8Very high69 Ų6921.4 Ų21.442%0.42312%0.12SC..SBendtrans-137.4109.6174.9-54.90000109
339P93.4Very high93.8Very high26 Ų2626.9 Ų26.917%0.16915%0.145CC..SBendcis-67.2156.4-5.331.8-35.2000112T29 A31 S294 A337 V341T29-P339 WeakPolarHBondContact O-CB 3.45Å; A31-P339 HydrophobicContact CB-CB 4.32Å; S294-P339 WeakPolarHBondContact O-CD 3.45Å; A337-P339 CarbonylContact C-O 3.57Å; A337-P339 CarbonylContact O-C 3.56Å; P339-V341 VanDerWaalsContact C-N 3.31Å; P339-V341 HydrophobicContact CB-CG1 4.08Å; P339-V341 HydrophobicContact CG-CG1 4.01Å; P339-V341 HydrophobicContact CG-CG2 4.27Å; P339-V341 PolarHBondContact O-N 2.66Å
340A94.9Very high92.3Very high24 Ų2430.9 Ų30.920%0.19816%0.164CC..  trans-78.179.8176.500000109.5W7 A31 F333 A334 A337W7-A340 VanDerWaalsContact CZ3-C 3.44Å; W7-A340 WeakPolarHBondContact CZ3-O 3.41Å; A31-A340 HydrophobicContact CB-CB 4.23Å; A31-A340 WeakPolarHBondContact CB-O 3.36Å; F333-A340 VanDerWaalsContact O-CA 3.31Å; F333-A340 WeakPolarHBondContact O-CA 3.49Å; F333-A340 WeakPolarHBondContact O-CB 3.5Å; A334-A340 WeakPolarHBondContact O-CB 3.07Å; A337-A340 PolarHBondContact O-N 2.77Å
341V95.1Very high90.3Very high0 Ų035.8 Ų35.80%019%0.187CC..  trans-120.3154.2-179-62.70000112.2W7 V26 G28 A31 Y81 S294 F333 P339 W343W7-V341 WeakPolarHBondContact CH2-O 3.23Å; V26-V341 CarbonylContact O-C 3.58Å; V26-V341 WeakPolarHBondContact O-CA 3.22Å; V26-V341 WeakPolarHBondContact O-CB 3.47Å; G28-V341 WeakPolarHBondContact O-CG1 3.34Å; A31-V341 HydrophobicContact CB-CG1 3.88Å; Y81-V341 HydrophobicContact CE2-CB 4.44Å; Y81-V341 HydrophobicContact CE2-CG2 4.36Å; Y81-V341 WeakPolarHBondContact OH-CB 3.38Å; Y81-V341 WeakPolarHBondContact OH-CG2 3.17Å; S294-V341 WeakPolarHBondContact OG-CG2 3.49Å; F333-V341 WeakPolarHBondContact CB-O 3.31Å; P339-V341 VanDerWaalsContact C-N 3.31Å; P339-V341 HydrophobicContact CB-CG1 4.08Å; P339-V341 HydrophobicContact CG-CG1 4.01Å; P339-V341 HydrophobicContact CG-CG2 4.27Å; P339-V341 PolarHBondContact O-N 2.66Å; V341-W343 PolarHBondContact O-N 3.22Å
342S96.4Very high88.2Confident1 Ų143.6 Ų43.61%0.00723%0.228CC..  trans-73.5121.8-175.3-52.70000111.9W7 V26 Y81 R344W7-S342 VanDerWaalsContact CH2-CA 3.49Å; W7-S342 VanDerWaalsContact CH2-N 3.33Å; W7-S342 WeakPolarHBondContact CH2-OG 3.44Å; W7-S342 WeakPolarHBondContact CZ2-OG 3.37Å; V26-S342 PolarHBondContact N-OG 2.97Å; V26-S342 PolarHBondContact O-N 2.88Å; V26-S342 PolarHBondContact O-OG 3.42Å; Y81-S342 WeakPolarHBondContact CE1-O 2.95Å; Y81-S342 PolarHBondContact OH-O 3.48Å; S342-R344 WeakPolarHBondContact CB-O 3.35Å; S342-R344 PolarHBondContact O-N 3.08Å
343W95.9Very high86.4Confident38 Ų3851.2 Ų51.214%0.14426%0.262CS..SBendtrans-72.3-10.7178.869.8-86000113.8V239 E288 A290 C292 T329 D330 F333 V341V239-W343 HydrophobicContact CG1-CZ3 4.3Å; E288-W343 HydrophobicContact CG-CH2 4.24Å; E288-W343 HydrophobicContact CG-CZ2 4.29Å; A290-W343 HydrophobicContact CB-CD2 3.56Å; A290-W343 VanDerWaalsContact CB-CE2 3.43Å; A290-W343 HydrophobicContact CB-CE3 4.09Å; A290-W343 HydrophobicContact CB-CG 3.87Å; A290-W343 HydrophobicContact CB-CH2 4.29Å; A290-W343 HydrophobicContact CB-CZ2 3.82Å; A290-W343 HydrophobicContact CB-CZ3 4.42Å; C292-W343 HydrophobicContact CB-CB 3.98Å; T329-W343 WeakPolarHBondContact OG1-CZ2 3.48Å; T329-W343 PolarHBondContact OG1-NE1 2.86Å; D330-W343 PolarHBondContact OD1-NE1 2.68Å; F333-W343 HydrophobicContact CD1-CB 4.26Å; F333-W343 HydrophobicContact CD2-CB 4.41Å; F333-W343 AromaticContact CD2-CD1 3.55Å; F333-W343 HydrophobicContact CD2-CG 4.19Å; F333-W343 HydrophobicContact CE1-CB 4.2Å; F333-W343 HydrophobicContact CE2-CB 4.36Å; F333-W343 AromaticContact CE2-CD1 3.97Å; F333-W343 HydrophobicContact CE2-CG 4.25Å; F333-W343 HydrophobicContact CG-CB 4.38Å; F333-W343 AromaticContact CG-CD1 3.94Å; F333-W343 HydrophobicContact CZ-CB 4.27Å; V341-W343 PolarHBondContact O-N 3.22Å
344R95.3Very high84.9Confident82 Ų8254.7 Ų54.731%0.30928%0.28SS..SBendtrans-150.6170175.962.4174.4172.5-163.3-3.4110.8E288 D330 S342 L346E288-R344 IonicContact OE1-NH2 3.61Å; E288-R344 IonicContact OE2-CZ 2.91Å; E288-R344 VanDerWaalsContact OE2-CZ 3.28Å; E288-R344 IonicContact OE2-NH1 2.69Å; E288-R344 PolarHBondContact OE2-NH1 2.91Å; E288-R344 IonicContact OE2-NH2 2.72Å; E288-R344 PolarHBondContact OE2-NH2 3.17Å; D330-R344 IonicContact OD1-CZ 3.41Å; D330-R344 IonicContact OD1-NE 3.89Å; D330-R344 PolarHBondContact OD1-NE 3.34Å; D330-R344 VanDerWaalsContact OD1-NE 3.16Å; D330-R344 IonicContact OD1-NH2 2.73Å; D330-R344 IonicContact OD2-CZ 3.17Å; D330-R344 IonicContact OD2-NE 2.65Å; D330-R344 IonicContact OD2-NH2 3.65Å; D330-R344 PolarHBondContact OD2-NH2 3.3Å; S342-R344 WeakPolarHBondContact CB-O 3.35Å; S342-R344 PolarHBondContact O-N 3.08Å; R344-L346 PolarHBondContact O-N 3.1Å
345L96.4Very high84Confident24 Ų2458 Ų5813%0.12630%0.299CS..  trans-67.6111.9162.5-176.660.4000109K23 C25 I76 L79K23-L345 HydrophobicContact CB-CD1 4.05Å; K23-L345 HydrophobicContact CB-CG 4.24Å; K23-L345 HydrophobicContact CD-CD2 3.97Å; K23-L345 HydrophobicContact CD-CG 4.46Å; C25-L345 HydrophobicContact CB-CD1 4.1Å; I76-L345 HydrophobicContact CG2-CD2 4.07Å; L79-L345 HydrophobicContact CB-CB 4.3Å; L79-L345 HydrophobicContact CB-CD1 4.14Å; L79-L345 HydrophobicContact CB-CD2 4.06Å; L79-L345 HydrophobicContact CB-CG 4.41Å; L79-L345 HydrophobicContact CD1-CD1 4.39Å
346L94.4Very high83.4Confident0 Ų061.5 Ų61.50%032%0.319CS..EExtended strand (participates in β ladder)trans-64.8138.7180-55.6171.4000109.2V2 W7 K23 A24 D330 R344V2-L346 HydrophobicContact CG1-CB 4.47Å; V2-L346 HydrophobicContact CG1-CD1 4.39Å; V2-L346 HydrophobicContact CG1-CD2 4.16Å; W7-L346 HydrophobicContact CZ2-CD1 4.36Å; K23-L346 WeakPolarHBondContact CA-O 3.02Å; K23-L346 WeakPolarHBondContact CB-O 3.49Å; A24-L346 HydrophobicContact CB-CB 4.37Å; A24-L346 HydrophobicContact CB-CD1 4.18Å; A24-L346 PolarHBondContact N-O 2.82Å; A24-L346 WeakPolarHBondContact O-CB 3.32Å; A24-L346 VanDerWaalsContact O-CG 3.32Å; A24-L346 WeakPolarHBondContact O-CG 3.38Å; A24-L346 PolarHBondContact O-N 2.87Å; D330-L346 HydrophobicContact CB-CD2 3.66Å; D330-L346 WeakPolarHBondContact OD1-CD2 3.33Å; R344-L346 PolarHBondContact O-N 3.1Å
347S91.1Very high82.8Confident54 Ų5462 Ų6238%0.37833%0.333SS..EExtended strand (participates in β ladder)trans-106.5117.8163.3-69.50000107.8R22R22-S347 PolarHBondContact NH1-OG 2.58Å
348V87Confident82.3Confident10 Ų1066.3 Ų66.36%0.06135%0.352CS..  trans-92.7109172.5-1750000105.5V4 I21 R22V4-V348 HydrophobicContact CG1-CG2 3.5Å; V4-V348 VanDerWaalsContact CG1-CG2 3.5Å; I21-V348 HydrophobicContact CG2-CG2 4.13Å; I21-V348 WeakPolarHBondContact O-CB 3.22Å; I21-V348 WeakPolarHBondContact O-CG1 3.46Å; R22-V348 PolarHBondContact O-N 3.43Å
349E72.7Confident82.1Confident123 Ų12365.2 Ų65.258%0.57535%0.347SS*.  trans-88.5105.3169.8-69.9177.6171.200106.5M1 E351M1-E349 WeakPolarHBondContact CE-O 3.48Å; E349-E351 PolarHBondContact O-N 3.45Å
350H64.4Low82.1Confident84 Ų8467 Ų6739%0.38936%0.355SS..  trans-74.584.5161.4-64.3-61.4000106.5A19 I21 D352A19-H350 PolarHBondContact O-CD2 2.91Å; A19-H350 PolarHBondContact O-NE2 3.48Å; A19-H350 VanDerWaalsContact O-NE2 3.12Å; I21-H350 PolarHBondContact O-NE2 3.27Å; H350-D352 PolarHBondContact O-N 2.87Å
351E53.9Low81.9Confident104 Ų10471.9 Ų71.949%0.48637%0.372SS..  trans-67.1134.2163.4-64.2-170147.300107.6M1 E349 F353M1-E351 HydrophobicContact CE-CB 3.74Å; M1-E351 HydrophobicContact CE-CG 3.76Å; E349-E351 PolarHBondContact O-N 3.45Å; E351-F353 HydrophobicContact CB-CD2 3.65Å; E351-F353 HydrophobicContact CB-CE2 4.3Å; E351-F353 HydrophobicContact CB-CG 4.48Å; E351-F353 HydrophobicContact CG-CD2 4.3Å; E351-F353 PolarHBondContact O-N 3.18Å; E351-F353 WeakPolarHBondContact OE2-CD2 3.37Å
352D53Low81.7Confident165 Ų16578.9 Ų78.988%0.88240%0.402SS*.SBendtrans-61.33.3174.6-70.5-43.1000113.5H350 L354H350-D352 PolarHBondContact O-N 2.87Å; D352-L354 PolarHBondContact O-N 3.07Å
353F58Low81.6Confident159 Ų15981.4 Ų81.470%0.69741%0.414SS*.  trans-82.6106.3177.7-55.1-61.5000110E351 T355E351-F353 HydrophobicContact CB-CD2 3.65Å; E351-F353 HydrophobicContact CB-CE2 4.3Å; E351-F353 HydrophobicContact CB-CG 4.48Å; E351-F353 HydrophobicContact CG-CD2 4.3Å; E351-F353 PolarHBondContact O-N 3.18Å; E351-F353 WeakPolarHBondContact OE2-CD2 3.37Å; F353-T355 PolarHBondContact O-N 2.79Å
354L66.1Low81.6Confident74 Ų7480.5 Ų80.539%0.38741%0.411SS..  trans-53.1139.2162-64.3170.3000109D352 E358 S359 K362D352-L354 PolarHBondContact O-N 3.07Å; L354-E358 HydrophobicContact CB-CB 3.88Å; L354-E358 HydrophobicContact CD2-CB 4Å; L354-E358 HydrophobicContact CG-CB 4.45Å; L354-S359 VanDerWaalsContact CB-OG 3.28Å; L354-S359 WeakPolarHBondContact CB-OG 3.39Å; L354-S359 PolarHBondContact O-OG 2.77Å; L354-K362 HydrophobicContact CD1-CB 4.19Å; L354-K362 HydrophobicContact CD1-CD 3.46Å; L354-K362 VanDerWaalsContact CD1-CD 3.46Å; L354-K362 HydrophobicContact CD1-CG 4.47Å
355T76.1Confident81.6Confident75 Ų7578.5 Ų78.546%0.4641%0.406SS..  trans-54.9161.316860.40000110F353 A357 E358 S359F353-T355 PolarHBondContact O-N 2.79Å; T355-A357 PolarHBondContact O-N 2.88Å; T355-A357 VanDerWaalsContact O-N 3.16Å; T355-E358 WeakPolarHBondContact CB-OE2 3.37Å; T355-E358 WeakPolarHBondContact CG2-OE2 3.43Å; T355-E358 PolarHBondContact N-OE2 3.16Å; T355-E358 PolarHBondContact O-N 3.36Å; T355-E358 VanDerWaalsContact O-N 3.09Å; T355-E358 WeakPolarHBondContact OG1-CB 3.45Å; T355-E358 VanDerWaalsContact OG1-CD 3.23Å; T355-E358 VanDerWaalsContact OG1-CG 3.23Å; T355-E358 WeakPolarHBondContact OG1-CG 3.46Å; T355-E358 PolarHBondContact OG1-N 2.92Å; T355-E358 PolarHBondContact OG1-OE2 3.32Å; T355-S359 WeakPolarHBondContact O-CB 3.03Å; T355-S359 PolarHBondContact O-N 3.38Å; T355-S359 PolarHBondContact O-OG 3.45Å
356V83.3Confident81.5Confident118 Ų11878.2 Ų78.272%0.71541%0.407SS*.Hα-helixtrans-53.8-40176.3176.80000111.1L360V356-L360 HydrophobicContact CG1-CD1 4.11Å; V356-L360 WeakPolarHBondContact O-CB 3.47Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.29Å; V356-L360 PolarHBondContact O-N 3.11Å
357A83.8Confident81.4Confident64 Ų6482.6 Ų82.653%0.52944%0.435SS..Hα-helixtrans-66.2-44.3177.900000112.6T355 L360 K361T355-A357 PolarHBondContact O-N 2.88Å; T355-A357 VanDerWaalsContact O-N 3.16Å; A357-L360 PolarHBondContact O-N 2.84Å; A357-K361 WeakPolarHBondContact O-CB 3.47Å; A357-K361 PolarHBondContact O-N 3.27Å
358E84.2Confident81.5Confident98 Ų9888.6 Ų88.646%0.45846%0.457SS..Hα-helixtrans-69.2-36.7177.7-71.1162.4149.900112.4L354 T355 K361 K362L354-E358 HydrophobicContact CB-CB 3.88Å; L354-E358 HydrophobicContact CD2-CB 4Å; L354-E358 HydrophobicContact CG-CB 4.45Å; T355-E358 WeakPolarHBondContact CB-OE2 3.37Å; T355-E358 WeakPolarHBondContact CG2-OE2 3.43Å; T355-E358 PolarHBondContact N-OE2 3.16Å; T355-E358 PolarHBondContact O-N 3.36Å; T355-E358 VanDerWaalsContact O-N 3.09Å; T355-E358 WeakPolarHBondContact OG1-CB 3.45Å; T355-E358 VanDerWaalsContact OG1-CD 3.23Å; T355-E358 VanDerWaalsContact OG1-CG 3.23Å; T355-E358 WeakPolarHBondContact OG1-CG 3.46Å; T355-E358 PolarHBondContact OG1-N 2.92Å; T355-E358 PolarHBondContact OG1-OE2 3.32Å; E358-K361 PolarHBondContact O-N 3.43Å; E358-K362 WeakPolarHBondContact O-CB 3.39Å; E358-K362 PolarHBondContact O-N 2.88Å
359S89Confident81.8Confident46 Ų4691.2 Ų91.232%0.32247%0.473SS..Hα-helixtrans-59.6-50.8173.8-61.40000110.1L354 T355 K361 K362 E363L354-S359 VanDerWaalsContact CB-OG 3.28Å; L354-S359 WeakPolarHBondContact CB-OG 3.39Å; L354-S359 PolarHBondContact O-OG 2.77Å; T355-S359 WeakPolarHBondContact O-CB 3.03Å; T355-S359 PolarHBondContact O-N 3.38Å; T355-S359 PolarHBondContact O-OG 3.45Å; S359-K361 PolarHBondContact O-N 2.72Å; S359-K362 PolarHBondContact O-N 2.68Å; S359-E363 WeakPolarHBondContact O-CG 3.25Å; S359-E363 PolarHBondContact O-N 2.88Å; S359-E363 VanDerWaalsContact O-N 3.09Å
360L92.3Very high82.8Confident64 Ų6486.7 Ų86.734%0.33546%0.457SS..Hα-helixtrans-62.5-43.5176.8-71174.2000111.7V356 A357 K362 E363 F364 V387 Y429V356-L360 HydrophobicContact CG1-CD1 4.11Å; V356-L360 WeakPolarHBondContact O-CB 3.47Å; V356-L360 VanDerWaalsContact O-CG 3.26Å; V356-L360 WeakPolarHBondContact O-CG 3.29Å; V356-L360 PolarHBondContact O-N 3.11Å; A357-L360 PolarHBondContact O-N 2.84Å; L360-K362 VanDerWaalsContact C-N 3.28Å; L360-K362 PolarHBondContact O-N 3.22Å; L360-E363 PolarHBondContact O-N 3.46Å; L360-F364 PolarHBondContact O-N 2.78Å; L360-V387 HydrophobicContact CD2-CG2 3.81Å; L360-Y429 HydrophobicContact CB-CD1 4.19Å; L360-Y429 VanDerWaalsContact O-CD1 3.23Å; L360-Y429 WeakPolarHBondContact O-CD1 3.21Å
361K92.4Very high84.2Confident127 Ų12786.4 Ų86.455%0.55246%0.458SS*.Hα-helixtrans-57.6-41.5176.1176.4174.3178.9-173.80112A357 E358 S359 F364 T430A357-K361 WeakPolarHBondContact O-CB 3.47Å; A357-K361 PolarHBondContact O-N 3.27Å; E358-K361 PolarHBondContact O-N 3.43Å; S359-K361 PolarHBondContact O-N 2.72Å; K361-F364 PolarHBondContact O-N 2.91Å; K361-T430 HydrophobicContact CB-CG2 3.94Å; K361-T430 HydrophobicContact CD-CG2 4.12Å; K361-T430 HydrophobicContact CG-CG2 3.67Å
362K90.4Very high86.1Confident146 Ų14681.7 Ų81.764%0.63544%0.437SS*.Hα-helixtrans-66.6-37.4178.5-177.5-179.9172-170.10112.1L354 E358 S359 L360 F364L354-K362 HydrophobicContact CD1-CB 4.19Å; L354-K362 HydrophobicContact CD1-CD 3.46Å; L354-K362 VanDerWaalsContact CD1-CD 3.46Å; L354-K362 HydrophobicContact CD1-CG 4.47Å; E358-K362 WeakPolarHBondContact O-CB 3.39Å; E358-K362 PolarHBondContact O-N 2.88Å; S359-K362 PolarHBondContact O-N 2.68Å; L360-K362 VanDerWaalsContact C-N 3.28Å; L360-K362 PolarHBondContact O-N 3.22Å; K362-F364 VanDerWaalsContact C-N 3.29Å; K362-F364 PolarHBondContact O-N 2.93Å
363E94.3Very high88.1Confident55 Ų5577 Ų7726%0.25741%0.408SS..Hα-helixtrans-81-1.8-179.5-64.4-50.3140.300114.4S359 L360 D365 S366 T369 H384S359-E363 WeakPolarHBondContact O-CG 3.25Å; S359-E363 PolarHBondContact O-N 2.88Å; S359-E363 VanDerWaalsContact O-N 3.09Å; L360-E363 PolarHBondContact O-N 3.46Å; E363-D365 PolarHBondContact O-N 2.93Å; E363-S366 VanDerWaalsContact O-CB 3.28Å; E363-S366 WeakPolarHBondContact O-CB 3.42Å; E363-S366 PolarHBondContact O-N 2.99Å; E363-S366 WeakPolarHBondContact OE2-CB 3.48Å; E363-S366 PolarHBondContact OE2-OG 3Å; E363-S366 VanDerWaalsContact OE2-OG 3.11Å; E363-T369 WeakPolarHBondContact OE2-CG2 3.47Å; E363-T369 PolarHBondContact OE2-OG1 2.87Å; E363-T369 VanDerWaalsContact OE2-OG1 3.12Å; E363-H384 PolarHBondContact O-CE1 2.97Å
364F95.8Very high89.9Confident19 Ų1969.5 Ų69.58%0.08338%0.375CS..THydrogen-bonded Turntrans-65.7128.6174.2177.4-109.3000111.2L360 K361 K362 S366 I381 V383 R422 L425 Q426 Y429L360-F364 PolarHBondContact O-N 2.78Å; K361-F364 PolarHBondContact O-N 2.91Å; K362-F364 VanDerWaalsContact C-N 3.29Å; K362-F364 PolarHBondContact O-N 2.93Å; F364-S366 PolarHBondContact O-N 3.09Å; F364-I381 HydrophobicContact CE2-CG2 4.23Å; F364-I381 HydrophobicContact CZ-CG2 4.04Å; F364-V383 HydrophobicContact CE2-CG1 4.22Å; F364-R422 HydrophobicContact CE1-CG 4.26Å; F364-R422 HydrophobicContact CZ-CG 4.08Å; F364-L425 HydrophobicContact CE2-CB 3.78Å; F364-L425 HydrophobicContact CZ-CB 4.17Å; F364-Q426 HydrophobicContact CD1-CB 4.07Å; F364-Q426 HydrophobicContact CD1-CG 3.84Å; F364-Q426 HydrophobicContact CE1-CB 3.52Å; F364-Q426 HydrophobicContact CE1-CG 3.73Å; F364-Q426 HydrophobicContact CE2-CB 4.18Å; F364-Q426 HydrophobicContact CG-CG 4.44Å; F364-Q426 HydrophobicContact CZ-CB 3.59Å; F364-Q426 HydrophobicContact CZ-CG 4.29Å; F364-Y429 HydrophobicContact CB-CD1 4.2Å; F364-Y429 HydrophobicContact CB-CG 4.14Å; F364-Y429 AromaticContact CD2-CD2 3.62Å; F364-Y429 HydrophobicContact CD2-CD2 3.62Å; F364-Y429 AromaticContact CD2-CE2 3.83Å; F364-Y429 HydrophobicContact CD2-CE2 3.83Å; F364-Y429 HydrophobicContact CD2-CG 4.03Å; F364-Y429 HydrophobicContact CE2-CD2 4.31Å; F364-Y429 HydrophobicContact CE2-CE2 4.42Å; F364-Y429 HydrophobicContact CG-CD2 4.45Å; F364-Y429 HydrophobicContact CG-CG 4.46Å
365D95.3Very high91.3Very high39 Ų3969.9 Ų69.921%0.20937%0.372CS..THydrogen-bonded Turntrans65.519.9-177.1-148.69.5000114.3E363 I381 H382 R422E363-D365 PolarHBondContact O-N 2.93Å; D365-I381 WeakPolarHBondContact OD1-CA 3.46Å; D365-H382 WeakPolarHBondContact CA-O 3.13Å; D365-H382 PolarHBondContact N-O 2.93Å; D365-H382 VanDerWaalsContact N-O 3.07Å; D365-H382 PolarHBondContact OD1-N 2.94Å; D365-H382 IonicContact OD1-ND1 3.27Å; D365-H382 PolarHBondContact OD1-ND1 3.26Å; D365-R422 IonicContact OD2-NE 3.73Å; D365-R422 IonicContact OD2-NH2 3.82Å
366S93.6Very high92.2Very high19 Ų1966.3 Ų66.313%0.13335%0.35CS..  trans-81.8120.3174.2179.70000111.2E363 F364 E368 A370 H382E363-S366 VanDerWaalsContact O-CB 3.28Å; E363-S366 WeakPolarHBondContact O-CB 3.42Å; E363-S366 PolarHBondContact O-N 2.99Å; E363-S366 WeakPolarHBondContact OE2-CB 3.48Å; E363-S366 PolarHBondContact OE2-OG 3Å; E363-S366 VanDerWaalsContact OE2-OG 3.11Å; F364-S366 PolarHBondContact O-N 3.09Å; S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 2.85Å; S366-A370 VanDerWaalsContact O-CB 3.22Å; S366-A370 WeakPolarHBondContact O-CB 3.26Å; S366-H382 WeakPolarHBondContact O-CB 3.47Å
367P92.9Very high92.5Very high91 Ų9166.1 Ų66.159%0.59135%0.345SS*.THydrogen-bonded Turntrans-75.3-13.9176.731.2-35.1000113.3
368E93.7Very high92.8Very high180 Ų18065.9 Ų65.984%0.84135%0.348SS*.THydrogen-bonded Turntrans-76.5-35.6-174.5-64.5-174.2176.300112.8S366S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 2.85Å
369T92.9Very high93.3Very high65 Ų6566.6 Ų66.640%0.39935%0.35SS..THydrogen-bonded Turntrans-112-13.6-172.558.90000113.6E363 H384E363-T369 WeakPolarHBondContact OE2-CG2 3.47Å; E363-T369 PolarHBondContact OE2-OG1 2.87Å; E363-T369 VanDerWaalsContact OE2-OG1 3.12Å; T369-H384 VanDerWaalsContact C-NE2 3.32Å; T369-H384 VanDerWaalsContact CB-NE2 3.32Å; T369-H384 WeakPolarHBondContact CB-NE2 3.5Å; T369-H384 PolarHBondContact O-CD2 2.77Å; T369-H384 VanDerWaalsContact O-CD2 3.25Å; T369-H384 PolarHBondContact O-NE2 3.3Å; T369-H384 PolarHBondContact OG1-CE1 3.27Å; T369-H384 VanDerWaalsContact OG1-CE1 3.31Å; T369-H384 PolarHBondContact OG1-NE2 3.29Å
370A93.4Very high93.6Very high29 Ų2969.2 Ų69.224%0.2435%0.353CS..  trans-68.4140.3-175.900000113S366 H382 V383S366-A370 VanDerWaalsContact O-CB 3.22Å; S366-A370 WeakPolarHBondContact O-CB 3.26Å; A370-H382 HydrophobicContact CB-CB 3.68Å; A370-V383 WeakPolarHBondContact CB-O 3.44Å
371D93Very high93.8Very high78 Ų7866.1 Ų66.142%0.41734%0.337SS..SBendtrans-1104175.365-2.5000112.5V383 H384 K385D371-V383 PolarHBondContact N-O 2.91Å; D371-H384 WeakPolarHBondContact OD1-CA 3.38Å; D371-K385 WeakPolarHBondContact OD1-CG 3.08Å; D371-K385 PolarHBondContact OD1-N 2.88Å
372L94.3Very high94Very high5 Ų562.3 Ų62.33%0.02632%0.322CS..EExtended strand (participates in β ladder)trans-153.7146.2179.6179.567.2000111.1F374 V383 K385 L388 F399 I411L372-F374 HydrophobicContact CD2-CD2 4.49Å; L372-F374 HydrophobicContact CD2-CE2 3.71Å; L372-F374 HydrophobicContact CD2-CZ 4.1Å; L372-F374 HydrophobicContact CG-CE2 4.33Å; L372-V383 HydrophobicContact CB-CG2 4.08Å; L372-V383 HydrophobicContact CD2-CG2 4.02Å; L372-V383 HydrophobicContact CG-CG2 4.07Å; L372-V383 PolarHBondContact N-O 2.86Å; L372-V383 VanDerWaalsContact N-O 3.16Å; L372-V383 PolarHBondContact O-N 3.16Å; L372-K385 HydrophobicContact CB-CG 3.96Å; L372-K385 HydrophobicContact CD2-CG 4.09Å; L372-L388 HydrophobicContact CD2-CD1 3.87Å; L372-F399 HydrophobicContact CD2-CE1 4.15Å; L372-F399 HydrophobicContact CD2-CE2 4.12Å; L372-F399 HydrophobicContact CD2-CZ 3.42Å; L372-F399 VanDerWaalsContact CD2-CZ 3.42Å; L372-I411 HydrophobicContact CD1-CD1 3.81Å; L372-I411 HydrophobicContact CD1-CG1 4.04Å; L372-I411 HydrophobicContact CD2-CD1 4.06Å; L372-I411 HydrophobicContact CG-CD1 4.47Å
373K94.9Very high94.3Very high67 Ų6755.4 Ų55.429%0.29129%0.291SS..EExtended strand (participates in β ladder)trans-132141.5167.960.2-169.8173.7-166.40112.7Y380 I381 E409 V410 I411K373-Y380 HydrophobicContact CB-CD1 4.48Å; K373-Y380 HydrophobicContact CD-CD1 3.84Å; K373-Y380 HydrophobicContact CD-CE1 4.29Å; K373-Y380 HydrophobicContact CD-CG 4.43Å; K373-Y380 HydrophobicContact CG-CD1 4.11Å; K373-I381 CarbonylContact C-O 3.18Å; K373-I381 VanDerWaalsContact CA-O 3.23Å; K373-I381 WeakPolarHBondContact CA-O 3.33Å; K373-E409 WeakPolarHBondContact CG-O 3.28Å; K373-E409 PolarHBondContact N-O 2.79Å; K373-V410 HydrophobicContact CD-CG2 4.19Å; K373-V410 HydrophobicContact CG-CB 4.45Å; K373-V410 HydrophobicContact CG-CG1 4.41Å; K373-V410 HydrophobicContact CG-CG2 3.89Å; K373-V410 WeakPolarHBondContact O-CA 3.1Å; K373-I411 PolarHBondContact O-N 2.82Å
374F95.6Very high94.3Very high0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-97.4138.1170.4-73.3-91.6000110.1L372 I376 Y380 I381 V383 L388 F395 I411 I413 Y421 L425L372-F374 HydrophobicContact CD2-CD2 4.49Å; L372-F374 HydrophobicContact CD2-CE2 3.71Å; L372-F374 HydrophobicContact CD2-CZ 4.1Å; L372-F374 HydrophobicContact CG-CE2 4.33Å; F374-I376 HydrophobicContact CB-CD1 3.71Å; F374-Y380 CarbonylContact O-C 3.55Å; F374-Y380 VanDerWaalsContact O-CA 3.27Å; F374-Y380 WeakPolarHBondContact O-CA 3.49Å; F374-I381 PolarHBondContact N-O 3.05Å; F374-I381 PolarHBondContact O-N 2.95Å; F374-V383 HydrophobicContact CD2-CG2 3.76Å; F374-V383 HydrophobicContact CE2-CG2 3.77Å; F374-L388 HydrophobicContact CE2-CD1 3.89Å; F374-L388 HydrophobicContact CZ-CD1 4.37Å; F374-F395 HydrophobicContact CE1-CE1 4.12Å; F374-F395 HydrophobicContact CE1-CZ 4.41Å; F374-F395 HydrophobicContact CE2-CZ 4.42Å; F374-F395 HydrophobicContact CZ-CD1 4.44Å; F374-F395 AromaticContact CZ-CE1 3.55Å; F374-F395 HydrophobicContact CZ-CE1 3.55Å; F374-F395 AromaticContact CZ-CZ 3.78Å; F374-F395 HydrophobicContact CZ-CZ 3.78Å; F374-I411 CarbonylContact C-O 3.59Å; F374-I411 VanDerWaalsContact CA-O 3.3Å; F374-I411 WeakPolarHBondContact CA-O 3.2Å; F374-I411 HydrophobicContact CD1-CB 3.72Å; F374-I411 HydrophobicContact CD1-CG2 3.76Å; F374-I411 HydrophobicContact CE1-CB 3.72Å; F374-I411 HydrophobicContact CE1-CD1 3.88Å; F374-I411 HydrophobicContact CE1-CG1 4.42Å; F374-I411 HydrophobicContact CE1-CG2 3.57Å; F374-I411 HydrophobicContact CZ-CB 4.49Å; F374-I411 HydrophobicContact CZ-CD1 3.92Å; F374-I413 HydrophobicContact CD1-CD1 4.27Å; F374-I413 HydrophobicContact CD1-CG1 3.76Å; F374-I413 HydrophobicContact CE1-CD1 4.34Å; F374-I413 HydrophobicContact CE1-CG1 4.31Å; F374-Y421 HydrophobicContact CB-CE1 4.35Å; F374-Y421 AromaticContact CD1-CE1 3.65Å; F374-Y421 HydrophobicContact CD1-CE1 3.65Å; F374-Y421 HydrophobicContact CD2-CE1 4.41Å; F374-Y421 AromaticContact CE1-CE1 3.97Å; F374-Y421 HydrophobicContact CE1-CE1 3.97Å; F374-Y421 WeakPolarHBondContact CE1-OH 3.34Å; F374-Y421 AromaticContact CG-CE1 3.89Å; F374-Y421 HydrophobicContact CG-CE1 3.89Å; F374-Y421 HydrophobicContact CZ-CE1 4.49Å; F374-L425 HydrophobicContact CB-CD1 4.42Å; F374-L425 HydrophobicContact CD2-CD1 3.78Å; F374-L425 HydrophobicContact CD2-CD2 4.37Å; F374-L425 HydrophobicContact CE2-CD1 4.36Å; F374-L425 HydrophobicContact CE2-CD2 4.13Å; F374-L425 HydrophobicContact CG-CD1 4.24Å
375R95.6Very high94.2Very high83 Ų8354.7 Ų54.731%0.31329%0.288SS..EExtended strand (participates in β ladder)trans-108.6117.2174.1-165.6179.977.5-168.93.8110K379 Y380 V410 I411 E412 I413R375-K379 CarbonylContact C-O 3.5Å; R375-K379 VanDerWaalsContact CA-O 3.27Å; R375-K379 WeakPolarHBondContact CA-O 2.98Å; R375-Y380 HydrophobicContact CB-CD1 4Å; R375-Y380 HydrophobicContact CB-CE1 3.78Å; R375-Y380 WeakPolarHBondContact CD-OH 3.43Å; R375-Y380 HydrophobicContact CG-CD1 4.11Å; R375-Y380 HydrophobicContact CG-CE1 3.69Å; R375-V410 HydrophobicContact CB-CG1 4.11Å; R375-I411 PolarHBondContact N-O 2.85Å; R375-E412 HydrophobicContact CB-CG 4.49Å; R375-E412 VanDerWaalsContact CZ-CD 3.41Å; R375-E412 IonicContact CZ-OE1 2.91Å; R375-E412 IonicContact CZ-OE2 3.03Å; R375-E412 IonicContact NE-OE1 3.85Å; R375-E412 IonicContact NH1-OE1 3.59Å; R375-E412 PolarHBondContact NH1-OE1 3.16Å; R375-E412 IonicContact NH2-OE1 3.85Å; R375-E412 PolarHBondContact NH2-OE1 2.81Å; R375-E412 IonicContact NH2-OE2 2.68Å; R375-E412 PolarHBondContact NH2-OE2 3.17Å; R375-I413 PolarHBondContact O-N 2.8Å
376I95.6Very high94.1Very high0 Ų055.6 Ų55.60%030%0.3CS..EExtended strand (participates in β ladder)trans-133.9129179.4-52.8100.1000108.6F374 G378 K379 I381 I413 F416 Y418 Y421F374-I376 HydrophobicContact CB-CD1 3.71Å; I376-G378 PolarHBondContact O-N 2.82Å; I376-K379 PolarHBondContact N-O 3.28Å; I376-K379 WeakPolarHBondContact O-CB 3.5Å; I376-K379 PolarHBondContact O-N 3.02Å; I376-I381 HydrophobicContact CD1-CD1 3.7Å; I376-I381 HydrophobicContact CD1-CG1 4.23Å; I376-I413 HydrophobicContact CG1-CB 3.83Å; I376-I413 HydrophobicContact CG1-CG1 4.47Å; I376-I413 HydrophobicContact CG1-CG2 4.45Å; I376-F416 WeakPolarHBondContact CG2-O 3.37Å; I376-Y418 HydrophobicContact CB-CD2 4.28Å; I376-Y421 HydrophobicContact CD1-CD1 3.8Å; I376-Y421 HydrophobicContact CD1-CG 4.27Å; I376-Y421 HydrophobicContact CG1-CD1 4.28Å; I376-Y421 HydrophobicContact CG1-CG 4.33Å
377D90.6Very high94.1Very high113 Ų11355.4 Ų55.460%0.60430%0.298SS*.THydrogen-bonded Turntrans50.433.9-178.7-58.1-37.5000113.4K379 Y418D377-K379 VanDerWaalsContact C-N 3.25Å; D377-K379 PolarHBondContact O-N 3.38Å; D377-Y418 PolarHBondContact OD2-N 2.95Å; D377-Y418 VanDerWaalsContact OD2-N 3.08Å
378G88.8Confident94.2Very high59 Ų5951 Ų5161%0.60827%0.27SS*.THydrogen-bonded Turntrans75.61.6-176.900000115.8I376I376-G378 PolarHBondContact O-N 2.82Å
379K94.1Very high94.1Very high114 Ų11445.5 Ų45.550%0.49624%0.243SC..EExtended strand (participates in β ladder)trans-99.8153.2175.2-62.6177.5-177.2175.70111R375 I376 D377 Y418R375-K379 CarbonylContact C-O 3.5Å; R375-K379 VanDerWaalsContact CA-O 3.27Å; R375-K379 WeakPolarHBondContact CA-O 2.98Å; I376-K379 PolarHBondContact N-O 3.28Å; I376-K379 WeakPolarHBondContact O-CB 3.5Å; I376-K379 PolarHBondContact O-N 3.02Å; D377-K379 VanDerWaalsContact C-N 3.25Å; D377-K379 PolarHBondContact O-N 3.38Å; K379-Y418 HydrophobicContact CB-CD2 3.51Å; K379-Y418 HydrophobicContact CB-CE2 3.38Å; K379-Y418 HydrophobicContact CB-CG 4.38Å; K379-Y418 HydrophobicContact CD-CD1 3.98Å; K379-Y418 HydrophobicContact CD-CD2 3.79Å; K379-Y418 HydrophobicContact CD-CE1 4.06Å; K379-Y418 HydrophobicContact CD-CE2 3.87Å; K379-Y418 HydrophobicContact CD-CG 3.84Å; K379-Y418 HydrophobicContact CG-CD2 4.26Å; K379-Y418 HydrophobicContact CG-CE2 4.29Å
380Y95.8Very high94.1Very high100 Ų10048 Ų4839%0.39225%0.253SS..EExtended strand (participates in β ladder)trans-108.2143.9178.5-65.3-78.8000111.6K373 F374 R375 V410K373-Y380 HydrophobicContact CB-CD1 4.48Å; K373-Y380 HydrophobicContact CD-CD1 3.84Å; K373-Y380 HydrophobicContact CD-CE1 4.29Å; K373-Y380 HydrophobicContact CD-CG 4.43Å; K373-Y380 HydrophobicContact CG-CD1 4.11Å; F374-Y380 CarbonylContact O-C 3.55Å; F374-Y380 VanDerWaalsContact O-CA 3.27Å; F374-Y380 WeakPolarHBondContact O-CA 3.49Å; R375-Y380 HydrophobicContact CB-CD1 4Å; R375-Y380 HydrophobicContact CB-CE1 3.78Å; R375-Y380 WeakPolarHBondContact CD-OH 3.43Å; R375-Y380 HydrophobicContact CG-CD1 4.11Å; R375-Y380 HydrophobicContact CG-CE1 3.69Å; Y380-V410 HydrophobicContact CE1-CG1 4.09Å
381I96.6Very high94.2Very high0 Ų051.2 Ų51.20%026%0.259CS..EExtended strand (participates in β ladder)trans-125121.7171.5-51175.3000108.3F364 D365 K373 F374 I376 V383 Y418 R422 L425F364-I381 HydrophobicContact CE2-CG2 4.23Å; F364-I381 HydrophobicContact CZ-CG2 4.04Å; D365-I381 WeakPolarHBondContact OD1-CA 3.46Å; K373-I381 CarbonylContact C-O 3.18Å; K373-I381 VanDerWaalsContact CA-O 3.23Å; K373-I381 WeakPolarHBondContact CA-O 3.33Å; F374-I381 PolarHBondContact N-O 3.05Å; F374-I381 PolarHBondContact O-N 2.95Å; I376-I381 HydrophobicContact CD1-CD1 3.7Å; I376-I381 HydrophobicContact CD1-CG1 4.23Å; I381-V383 HydrophobicContact CG2-CG1 4.3Å; I381-Y418 HydrophobicContact CD1-CD2 4.13Å; I381-Y418 HydrophobicContact CD1-CE2 3.76Å; I381-Y418 HydrophobicContact CG1-CD2 4.26Å; I381-Y418 HydrophobicContact CG1-CE2 3.5Å; I381-Y418 VanDerWaalsContact CG1-CE2 3.5Å; I381-R422 HydrophobicContact CD1-CB 3.58Å; I381-R422 HydrophobicContact CD1-CG 3.97Å; I381-L425 HydrophobicContact CB-CD1 4.22Å; I381-L425 HydrophobicContact CD1-CD1 4.19Å; I381-L425 HydrophobicContact CG2-CD1 3.88Å
382H96.7Very high94.2Very high47 Ų4747.5 Ų47.522%0.21824%0.239CC..EExtended strand (participates in β ladder)trans-91.6131.2-175.7-55.783.8000111.3D365 S366 A370D365-H382 WeakPolarHBondContact CA-O 3.13Å; D365-H382 PolarHBondContact N-O 2.93Å; D365-H382 VanDerWaalsContact N-O 3.07Å; D365-H382 PolarHBondContact OD1-N 2.94Å; D365-H382 IonicContact OD1-ND1 3.27Å; D365-H382 PolarHBondContact OD1-ND1 3.26Å; S366-H382 WeakPolarHBondContact O-CB 3.47Å; A370-H382 HydrophobicContact CB-CB 3.68Å
383V96.6Very high94Very high0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-148.6167.6-173.1-66.50000112.2F364 A370 D371 L372 F374 I381 L388 L425 Y429F364-V383 HydrophobicContact CE2-CG1 4.22Å; A370-V383 WeakPolarHBondContact CB-O 3.44Å; D371-V383 PolarHBondContact N-O 2.91Å; L372-V383 HydrophobicContact CB-CG2 4.08Å; L372-V383 HydrophobicContact CD2-CG2 4.02Å; L372-V383 HydrophobicContact CG-CG2 4.07Å; L372-V383 PolarHBondContact N-O 2.86Å; L372-V383 VanDerWaalsContact N-O 3.16Å; L372-V383 PolarHBondContact O-N 3.16Å; F374-V383 HydrophobicContact CD2-CG2 3.76Å; F374-V383 HydrophobicContact CE2-CG2 3.77Å; I381-V383 HydrophobicContact CG2-CG1 4.3Å; V383-L388 HydrophobicContact CB-CD1 4.45Å; V383-L388 HydrophobicContact CG2-CD1 3.93Å; V383-L425 HydrophobicContact CG1-CB 4.36Å; V383-L425 HydrophobicContact CG1-CD1 4.05Å; V383-Y429 HydrophobicContact CG1-CE2 4.32Å
384H94.9Very high93.9Very high30 Ų3052.2 Ų52.214%0.13926%0.262CS..  trans-110.6119.8-178.5-53.283.3000110.6E363 T369 D371 A386 V387 L388 Y429E363-H384 PolarHBondContact O-CE1 2.97Å; T369-H384 VanDerWaalsContact C-NE2 3.32Å; T369-H384 VanDerWaalsContact CB-NE2 3.32Å; T369-H384 WeakPolarHBondContact CB-NE2 3.5Å; T369-H384 PolarHBondContact O-CD2 2.77Å; T369-H384 VanDerWaalsContact O-CD2 3.25Å; T369-H384 PolarHBondContact O-NE2 3.3Å; T369-H384 PolarHBondContact OG1-CE1 3.27Å; T369-H384 VanDerWaalsContact OG1-CE1 3.31Å; T369-H384 PolarHBondContact OG1-NE2 3.29Å; D371-H384 WeakPolarHBondContact OD1-CA 3.38Å; H384-A386 PolarHBondContact O-N 2.91Å; H384-A386 VanDerWaalsContact O-N 3.17Å; H384-V387 HydrophobicContact CB-CB 4.45Å; H384-V387 HydrophobicContact CB-CG2 4.05Å; H384-V387 PolarHBondContact O-N 3.3Å; H384-V387 VanDerWaalsContact O-N 3.12Å; H384-L388 PolarHBondContact O-N 2.91Å; H384-Y429 WeakPolarHBondContact CB-OH 3.32Å; H384-Y429 PolarHBondContact N-OH 3.24Å; H384-Y429 AromaticContact ND1-CE1 3.65Å; H384-Y429 AromaticContact ND1-CZ 3.75Å; H384-Y429 PolarHBondContact ND1-OH 3.4Å
385K92.8Very high93.7Very high30 Ų3052.2 Ų52.213%0.1326%0.262CS..Hα-helixtrans-53.7-37.7178.6-70.7175.3-177.6178.10111.8D371 L372 L388 K389 D406D371-K385 WeakPolarHBondContact OD1-CG 3.08Å; D371-K385 PolarHBondContact OD1-N 2.88Å; L372-K385 HydrophobicContact CB-CG 3.96Å; L372-K385 HydrophobicContact CD2-CG 4.09Å; K385-L388 PolarHBondContact O-N 3.22Å; K385-K389 VanDerWaalsContact O-CB 3.31Å; K385-K389 WeakPolarHBondContact O-CB 3.5Å; K385-K389 VanDerWaalsContact O-CG 3.26Å; K385-K389 WeakPolarHBondContact O-CG 3.34Å; K385-K389 PolarHBondContact O-N 3.29Å; K385-D406 PolarHBondContact NZ-O 2.73Å
386A93.2Very high93.5Very high57 Ų5752.9 Ų52.947%0.47126%0.264SS..Hα-helixtrans-59.7-47.6178.900000112.5H384 K389 I390H384-A386 PolarHBondContact O-N 2.91Å; H384-A386 VanDerWaalsContact O-N 3.17Å; A386-K389 PolarHBondContact O-N 2.97Å; A386-I390 WeakPolarHBondContact O-CB 3.4Å; A386-I390 WeakPolarHBondContact O-CD1 3.37Å; A386-I390 WeakPolarHBondContact O-CG1 3.39Å; A386-I390 PolarHBondContact O-N 2.99Å
387V95Very high93.2Very high15 Ų1555.4 Ų55.49%0.09128%0.282CS..Hα-helixtrans-63.1-45.9179179.20000110.1L360 H384 I390 R391 Y429L360-V387 HydrophobicContact CD2-CG2 3.81Å; H384-V387 HydrophobicContact CB-CB 4.45Å; H384-V387 HydrophobicContact CB-CG2 4.05Å; H384-V387 PolarHBondContact O-N 3.3Å; H384-V387 VanDerWaalsContact O-N 3.12Å; V387-I390 PolarHBondContact O-N 3.44Å; V387-R391 HydrophobicContact CG1-CG 4.16Å; V387-R391 VanDerWaalsContact O-CB 3.24Å; V387-R391 WeakPolarHBondContact O-CB 3.37Å; V387-R391 VanDerWaalsContact O-CG 3.24Å; V387-R391 WeakPolarHBondContact O-CG 3.24Å; V387-R391 PolarHBondContact O-N 2.7Å; V387-Y429 HydrophobicContact CB-CE1 4.15Å; V387-Y429 HydrophobicContact CB-CE2 4.33Å; V387-Y429 HydrophobicContact CG1-CD1 4.14Å; V387-Y429 HydrophobicContact CG1-CD2 4.06Å; V387-Y429 HydrophobicContact CG1-CE1 4Å; V387-Y429 HydrophobicContact CG1-CE2 3.88Å; V387-Y429 HydrophobicContact CG1-CG 4.19Å; V387-Y429 HydrophobicContact CG2-CD1 4.5Å; V387-Y429 HydrophobicContact CG2-CE1 3.87Å
388L94.5Very high92.9Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-60.3-49.2178.1-58.7-177.1000112.1L372 F374 V383 H384 K385 I390 R391 C392 F395 F399 L425 L428L372-L388 HydrophobicContact CD2-CD1 3.87Å; F374-L388 HydrophobicContact CE2-CD1 3.89Å; F374-L388 HydrophobicContact CZ-CD1 4.37Å; V383-L388 HydrophobicContact CB-CD1 4.45Å; V383-L388 HydrophobicContact CG2-CD1 3.93Å; H384-L388 PolarHBondContact O-N 2.91Å; K385-L388 PolarHBondContact O-N 3.22Å; L388-I390 VanDerWaalsContact C-N 3.26Å; L388-I390 PolarHBondContact O-N 3.38Å; L388-R391 PolarHBondContact O-N 2.83Å; L388-C392 PolarHBondContact O-N 2.89Å; L388-F395 HydrophobicContact CB-CB 3.83Å; L388-F395 HydrophobicContact CB-CD2 3.73Å; L388-F395 HydrophobicContact CB-CG 3.93Å; L388-F395 HydrophobicContact CD1-CD2 4.22Å; L388-F395 HydrophobicContact CD1-CE2 4.32Å; L388-F395 HydrophobicContact CD1-CG 4.37Å; L388-F395 HydrophobicContact CD2-CD2 3.91Å; L388-F395 HydrophobicContact CD2-CE2 3.89Å; L388-F395 HydrophobicContact CG-CD2 4.15Å; L388-F395 HydrophobicContact CG-CE2 4.46Å; L388-F399 HydrophobicContact CD1-CE2 4.17Å; L388-L425 HydrophobicContact CD2-CD2 3.86Å; L388-L428 HydrophobicContact CD2-CD1 3.48Å; L388-L428 VanDerWaalsContact CD2-CD1 3.48Å
389K92.3Very high92.8Very high63 Ų6348.7 Ų48.727%0.27423%0.232SC..Hα-helixtrans-61.5-30.9177.2-75.2175176.4177.60112.4K385 A386 R396 F399 D406K385-K389 VanDerWaalsContact O-CB 3.31Å; K385-K389 WeakPolarHBondContact O-CB 3.5Å; K385-K389 VanDerWaalsContact O-CG 3.26Å; K385-K389 WeakPolarHBondContact O-CG 3.34Å; K385-K389 PolarHBondContact O-N 3.29Å; A386-K389 PolarHBondContact O-N 2.97Å; K389-R396 PolarHBondContact O-NE 3.26Å; K389-R396 PolarHBondContact O-NH2 2.96Å; K389-F399 HydrophobicContact CD-CB 4.23Å; K389-F399 WeakPolarHBondContact CE-O 3.45Å; K389-F399 HydrophobicContact CG-CB 4.23Å; K389-F399 HydrophobicContact CG-CD2 4.18Å; K389-F399 PolarHBondContact NZ-O 2.98Å; K389-D406 IonicContact NZ-OD1 2.77Å; K389-D406 PolarHBondContact NZ-OD1 2.81Å
390I92.9Very high92.1Very high117 Ų11747.9 Ų47.960%0.623%0.23SC*.Hα-helixtrans-78.3-41.9178.1-71.4165.9000110.7A386 V387 L388 R396A386-I390 WeakPolarHBondContact O-CB 3.4Å; A386-I390 WeakPolarHBondContact O-CD1 3.37Å; A386-I390 WeakPolarHBondContact O-CG1 3.39Å; A386-I390 PolarHBondContact O-N 2.99Å; V387-I390 PolarHBondContact O-N 3.44Å; L388-I390 VanDerWaalsContact C-N 3.26Å; L388-I390 PolarHBondContact O-N 3.38Å; I390-R396 VanDerWaalsContact C-NH2 3.34Å; I390-R396 PolarHBondContact O-NH2 2.88Å
391R94.1Very high90.5Very high97 Ų9747.8 Ų47.837%0.36624%0.244SC..Hα-helixtrans-99.1-14.8-163.6-63.1-70.1-63.3179.10.4114.7V387 L388 L428 D431V387-R391 HydrophobicContact CG1-CG 4.16Å; V387-R391 VanDerWaalsContact O-CB 3.24Å; V387-R391 WeakPolarHBondContact O-CB 3.37Å; V387-R391 VanDerWaalsContact O-CG 3.24Å; V387-R391 WeakPolarHBondContact O-CG 3.24Å; V387-R391 PolarHBondContact O-N 2.7Å; L388-R391 PolarHBondContact O-N 2.83Å; R391-L428 HydrophobicContact CB-CB 4.22Å; R391-L428 HydrophobicContact CB-CD2 4.07Å; R391-L428 PolarHBondContact NE-O 3.4Å; R391-D431 IonicContact CZ-OD1 3.61Å; R391-D431 IonicContact CZ-OD2 2.96Å; R391-D431 IonicContact NH2-OD1 3.61Å; R391-D431 PolarHBondContact NH2-OD1 2.88Å; R391-D431 IonicContact NH2-OD2 3.99Å; R391-D431 PolarHBondContact NH2-OD2 2.83Å; R391-D431 VanDerWaalsContact NH2-OD2 3.17Å
392C93.8Very high88.6Confident1 Ų157.6 Ų57.61%0.00728%0.282CS..  trans-139125.3-178.3-176.60000111.9L388 H394 F395 R396 L428 E452L388-C392 PolarHBondContact O-N 2.89Å; C392-H394 VanDerWaalsContact C-N 3.32Å; C392-H394 PolarHBondContact O-N 2.81Å; C392-F395 HydrophobicContact CB-CB 4.36Å; C392-F395 HydrophobicContact CB-CD2 3.74Å; C392-F395 HydrophobicContact CB-CG 4.45Å; C392-F395 PolarHBondContact O-N 2.81Å; C392-R396 PolarHBondContact O-N 3.48Å; C392-L428 HydrophobicContact CB-CD1 4.1Å; C392-L428 HydrophobicContact CB-CD2 4.04Å; C392-E452 WeakPolarHBondContact CA-OE1 3.1Å; C392-E452 PolarHBondContact SG-OE1 2.95Å
393E90.8Very high86.9Confident101 Ų10162.9 Ų62.947%0.47230%0.3SS..Hα-helixtrans-68.3-33-177.8-166.860.1-148.400112.3R396 S397E393-R396 WeakPolarHBondContact O-CB 3.38Å; E393-R396 PolarHBondContact O-N 2.85Å; E393-R396 IonicContact OE2-CZ 2.85Å; E393-R396 IonicContact OE2-NE 3.77Å; E393-R396 IonicContact OE2-NH1 3.36Å; E393-R396 PolarHBondContact OE2-NH1 3.35Å; E393-S397 WeakPolarHBondContact O-CB 2.94Å; E393-S397 PolarHBondContact O-N 3.04Å; E393-S397 PolarHBondContact O-OG 3.42Å
394H91.3Very high85.2Confident69 Ų6969.6 Ų69.632%0.31934%0.336SS..Hα-helixtrans-58.1-51.6174.4178.476000110.8C392 S397 M398 Y450C392-H394 VanDerWaalsContact C-N 3.32Å; C392-H394 PolarHBondContact O-N 2.81Å; H394-S397 PolarHBondContact O-N 3.4Å; H394-M398 WeakPolarHBondContact O-CB 3.27Å; H394-M398 PolarHBondContact O-N 3.47Å; H394-Y450 HydrophobicContact CB-CD1 4.16Å; H394-Y450 HydrophobicContact CB-CG 4.1Å; H394-Y450 AromaticContact CD2-CD1 3.67Å; H394-Y450 AromaticContact CD2-CE1 3.52Å; H394-Y450 AromaticContact CD2-CZ 3.76Å; H394-Y450 AromaticContact CE1-CD1 3.96Å; H394-Y450 AromaticContact CE1-CE1 3.69Å; H394-Y450 AromaticContact CG-CD1 3.6Å; H394-Y450 AromaticContact CG-CE1 3.91Å; H394-Y450 AromaticContact CG-CG 3.98Å; H394-Y450 AromaticContact ND1-CD1 3.79Å; H394-Y450 AromaticContact NE2-CD1 3.91Å; H394-Y450 AromaticContact NE2-CE1 3.38Å; H394-Y450 WeakPolarHBondContact NE2-CE1 3.24Å; H394-Y450 AromaticContact NE2-CZ 3.77Å
395F92.3Very high83.7Confident0 Ų070.9 Ų70.90%034%0.342CS..Hα-helixtrans-68.4-34.9177.4-69.1-47.9000113F374 L388 C392 S397 M398 F399 F424 L425 L428 Y450F374-F395 HydrophobicContact CE1-CE1 4.12Å; F374-F395 HydrophobicContact CE1-CZ 4.41Å; F374-F395 HydrophobicContact CE2-CZ 4.42Å; F374-F395 HydrophobicContact CZ-CD1 4.44Å; F374-F395 AromaticContact CZ-CE1 3.55Å; F374-F395 HydrophobicContact CZ-CE1 3.55Å; F374-F395 AromaticContact CZ-CZ 3.78Å; F374-F395 HydrophobicContact CZ-CZ 3.78Å; L388-F395 HydrophobicContact CB-CB 3.83Å; L388-F395 HydrophobicContact CB-CD2 3.73Å; L388-F395 HydrophobicContact CB-CG 3.93Å; L388-F395 HydrophobicContact CD1-CD2 4.22Å; L388-F395 HydrophobicContact CD1-CE2 4.32Å; L388-F395 HydrophobicContact CD1-CG 4.37Å; L388-F395 HydrophobicContact CD2-CD2 3.91Å; L388-F395 HydrophobicContact CD2-CE2 3.89Å; L388-F395 HydrophobicContact CG-CD2 4.15Å; L388-F395 HydrophobicContact CG-CE2 4.46Å; C392-F395 HydrophobicContact CB-CB 4.36Å; C392-F395 HydrophobicContact CB-CD2 3.74Å; C392-F395 HydrophobicContact CB-CG 4.45Å; C392-F395 PolarHBondContact O-N 2.81Å; F395-S397 PolarHBondContact O-N 2.77Å; F395-M398 HydrophobicContact CD1-SD 3.82Å; F395-M398 HydrophobicContact CE1-SD 4.12Å; F395-M398 PolarHBondContact O-N 3.06Å; F395-F399 HydrophobicContact CB-CD2 4.1Å; F395-F399 HydrophobicContact CB-CE2 4Å; F395-F399 AromaticContact CD1-CE2 3.92Å; F395-F399 HydrophobicContact CD1-CE2 3.92Å; F395-F399 HydrophobicContact CG-CE2 4.22Å; F395-F399 WeakPolarHBondContact O-CD2 3.02Å; F395-F399 PolarHBondContact O-N 3.2Å; F395-F424 HydrophobicContact CD2-CE1 4.5Å; F395-F424 HydrophobicContact CE2-CD1 4.48Å; F395-F424 AromaticContact CE2-CE1 3.46Å; F395-F424 HydrophobicContact CE2-CE1 3.46Å; F395-F424 VanDerWaalsContact CE2-CE1 3.46Å; F395-F424 HydrophobicContact CE2-CZ 4Å; F395-F424 AromaticContact CZ-CE1 3.82Å; F395-F424 HydrophobicContact CZ-CE1 3.82Å; F395-L425 HydrophobicContact CE2-CD2 3.95Å; F395-L425 HydrophobicContact CZ-CD2 4.03Å; F395-L428 HydrophobicContact CD2-CD1 4Å; F395-L428 HydrophobicContact CE2-CD1 3.82Å; F395-Y450 HydrophobicContact CZ-CE2 4.45Å
396R90.3Very high82.3Confident97 Ų9771.7 Ų71.737%0.36635%0.348SS..Hα-helixtrans-56.5-41.6172.2-178175.2-70.8133.81.3111.6K389 I390 C392 E393 Q400K389-R396 PolarHBondContact O-NE 3.26Å; K389-R396 PolarHBondContact O-NH2 2.96Å; I390-R396 VanDerWaalsContact C-NH2 3.34Å; I390-R396 PolarHBondContact O-NH2 2.88Å; C392-R396 PolarHBondContact O-N 3.48Å; E393-R396 WeakPolarHBondContact O-CB 3.38Å; E393-R396 PolarHBondContact O-N 2.85Å; E393-R396 IonicContact OE2-CZ 2.85Å; E393-R396 IonicContact OE2-NE 3.77Å; E393-R396 IonicContact OE2-NH1 3.36Å; E393-R396 PolarHBondContact OE2-NH1 3.35Å; R396-Q400 WeakPolarHBondContact O-CG 3.47Å
397S88.9Confident81Confident53 Ų5376.8 Ų76.837%0.37136%0.364SS..Hα-helixtrans-73.8-44.1177.9-60.10000112.2E393 H394 F395 F399 Q400E393-S397 WeakPolarHBondContact O-CB 2.94Å; E393-S397 PolarHBondContact O-N 3.04Å; E393-S397 PolarHBondContact O-OG 3.42Å; H394-S397 PolarHBondContact O-N 3.4Å; F395-S397 PolarHBondContact O-N 2.77Å; S397-F399 VanDerWaalsContact C-N 3.28Å; S397-F399 PolarHBondContact O-N 2.82Å; S397-Q400 PolarHBondContact O-N 3.42Å
398M85.6Confident80.1Confident27 Ų2780.7 Ų80.713%0.13338%0.38CS..Hα-helixtrans-56-40.8179.5-169.9-176.3-167.800112.6H394 F395 E405 I411H394-M398 WeakPolarHBondContact O-CB 3.27Å; H394-M398 PolarHBondContact O-N 3.47Å; F395-M398 HydrophobicContact CD1-SD 3.82Å; F395-M398 HydrophobicContact CE1-SD 4.12Å; F395-M398 PolarHBondContact O-N 3.06Å; M398-E405 HydrophobicContact CE-CB 4.49Å; M398-E405 VanDerWaalsContact CE-CD 3.45Å; M398-E405 HydrophobicContact CE-CG 4.43Å; M398-E405 WeakPolarHBondContact CE-OE2 3.36Å; M398-E405 WeakPolarHBondContact CG-OE2 3.25Å; M398-I411 HydrophobicContact CE-CD1 3.84Å; M398-I411 HydrophobicContact CE-CG2 4.1Å; M398-I411 HydrophobicContact SD-CD1 4.37Å
399F85.6Confident79.3Confident5 Ų587.7 Ų87.72%0.02241%0.413CS..THydrogen-bonded Turntrans-100.928.3-174.3-61.6-58.6000114.2L372 L388 K389 F395 S397 I411L372-F399 HydrophobicContact CD2-CE1 4.15Å; L372-F399 HydrophobicContact CD2-CE2 4.12Å; L372-F399 HydrophobicContact CD2-CZ 3.42Å; L372-F399 VanDerWaalsContact CD2-CZ 3.42Å; L388-F399 HydrophobicContact CD1-CE2 4.17Å; K389-F399 HydrophobicContact CD-CB 4.23Å; K389-F399 WeakPolarHBondContact CE-O 3.45Å; K389-F399 HydrophobicContact CG-CB 4.23Å; K389-F399 HydrophobicContact CG-CD2 4.18Å; K389-F399 PolarHBondContact NZ-O 2.98Å; F395-F399 HydrophobicContact CB-CD2 4.1Å; F395-F399 HydrophobicContact CB-CE2 4Å; F395-F399 AromaticContact CD1-CE2 3.92Å; F395-F399 HydrophobicContact CD1-CE2 3.92Å; F395-F399 HydrophobicContact CG-CE2 4.22Å; F395-F399 WeakPolarHBondContact O-CD2 3.02Å; F395-F399 PolarHBondContact O-N 3.2Å; S397-F399 VanDerWaalsContact C-N 3.28Å; S397-F399 PolarHBondContact O-N 2.82Å; F399-I411 HydrophobicContact CE1-CD1 3.76Å; F399-I411 HydrophobicContact CZ-CD1 3.67Å
400Q79.7Confident79.2Confident97 Ų9786.9 Ų86.945%0.45341%0.412SS..SBendtrans-72.9148.4168.7-68-177-1.300110.4R396 S397 Y402 W403R396-Q400 WeakPolarHBondContact O-CG 3.47Å; S397-Q400 PolarHBondContact O-N 3.42Å; Q400-Y402 PolarHBondContact O-N 2.63Å; Q400-W403 PolarHBondContact O-N 2.87Å
401S61.7Low79.1Confident98 Ų9881.7 Ų81.769%0.68539%0.386SS*.THydrogen-bonded Turntrans-59.1-8.4-168.558.70000116.3
402Y57.8Low79Confident206 Ų20682 Ų8281%0.80839%0.391SS*.THydrogen-bonded Turntrans-94.3-3.6179.6-60.9-77000113.6Q400Q400-Y402 PolarHBondContact O-N 2.63Å
403W59.9Low78.9Confident157 Ų15782.8 Ų82.860%0.59540%0.395SS*.SBendtrans-106.5138.7-177.2-66.891.4000112.5Q400 E405 D406Q400-W403 PolarHBondContact O-N 2.87Å; W403-E405 PolarHBondContact O-N 2.96Å; W403-D406 PolarHBondContact O-N 3.47Å
404N62.4Low78.8Confident141 Ų14184.8 Ų84.875%0.75441%0.41SS*.THydrogen-bonded Turntrans-60.3-16.4177.7-81.5-17.8000113.8M407N404-M407 PolarHBondContact O-N 3.45Å
405E62.8Low78.6Confident58 Ų5889.3 Ų89.327%0.27143%0.431SS..THydrogen-bonded Turntrans-77.4-23.9-176.3-65.7179.8156.900113.3M398 W403 M407 K408M398-E405 HydrophobicContact CE-CB 4.49Å; M398-E405 VanDerWaalsContact CE-CD 3.45Å; M398-E405 HydrophobicContact CE-CG 4.43Å; M398-E405 WeakPolarHBondContact CE-OE2 3.36Å; M398-E405 WeakPolarHBondContact CG-OE2 3.25Å; W403-E405 PolarHBondContact O-N 2.96Å; E405-M407 PolarHBondContact O-N 2.87Å; E405-K408 HydrophobicContact CG-CD 4.37Å; E405-K408 PolarHBondContact O-N 2.87Å; E405-K408 VanDerWaalsContact O-N 3.09Å
406D63.5Low78.5Confident47 Ų4790.2 Ų90.225%0.25144%0.435SS..THydrogen-bonded Turntrans-64.2-26173.5-162.253.5000111.4K385 K389 W403K385-D406 PolarHBondContact NZ-O 2.73Å; K389-D406 IonicContact NZ-OD1 2.77Å; K389-D406 PolarHBondContact NZ-OD1 2.81Å; W403-D406 PolarHBondContact O-N 3.47Å
407M65.4Low78.6Confident163 Ų16387.9 Ų87.980%0.80343%0.434SS*.THydrogen-bonded Turntrans-88.4-6.9177-58.1-64.8-8300113.6N404 E405N404-M407 PolarHBondContact O-N 3.45Å; E405-M407 PolarHBondContact O-N 2.87Å
408K75.7Confident78.9Confident97 Ų9787.2 Ų87.242%0.42242%0.423SS..  trans-83.8134178.9-70.6-176.8-176.7174.30110.6E405E405-K408 HydrophobicContact CG-CD 4.37Å; E405-K408 PolarHBondContact O-N 2.87Å; E405-K408 VanDerWaalsContact O-N 3.09Å
409E79.2Confident79.3Confident148 Ų14888.6 Ų88.669%0.69243%0.434SS*.SBendtrans-84.2-23.3167.9-68-178.4178.400111.9K373K373-E409 WeakPolarHBondContact CG-O 3.28Å; K373-E409 PolarHBondContact N-O 2.79Å
410V89.4Confident79.7Confident45 Ų4588.6 Ų88.627%0.27344%0.435SS..EExtended strand (participates in β ladder)trans-127.9128.8-178.4-168.30000111K373 R375 Y380K373-V410 HydrophobicContact CD-CG2 4.19Å; K373-V410 HydrophobicContact CG-CB 4.45Å; K373-V410 HydrophobicContact CG-CG1 4.41Å; K373-V410 HydrophobicContact CG-CG2 3.89Å; K373-V410 WeakPolarHBondContact O-CA 3.1Å; R375-V410 HydrophobicContact CB-CG1 4.11Å; Y380-V410 HydrophobicContact CE1-CG1 4.09Å
411I90.2Very high80.4Confident9 Ų984 Ų845%0.04641%0.413CS..EExtended strand (participates in β ladder)trans-115.2128172.2-62.3169.7000108.8L372 K373 F374 R375 M398 F399 I413L372-I411 HydrophobicContact CD1-CD1 3.81Å; L372-I411 HydrophobicContact CD1-CG1 4.04Å; L372-I411 HydrophobicContact CD2-CD1 4.06Å; L372-I411 HydrophobicContact CG-CD1 4.47Å; K373-I411 PolarHBondContact O-N 2.82Å; F374-I411 CarbonylContact C-O 3.59Å; F374-I411 VanDerWaalsContact CA-O 3.3Å; F374-I411 WeakPolarHBondContact CA-O 3.2Å; F374-I411 HydrophobicContact CD1-CB 3.72Å; F374-I411 HydrophobicContact CD1-CG2 3.76Å; F374-I411 HydrophobicContact CE1-CB 3.72Å; F374-I411 HydrophobicContact CE1-CD1 3.88Å; F374-I411 HydrophobicContact CE1-CG1 4.42Å; F374-I411 HydrophobicContact CE1-CG2 3.57Å; F374-I411 HydrophobicContact CZ-CB 4.49Å; F374-I411 HydrophobicContact CZ-CD1 3.92Å; R375-I411 PolarHBondContact N-O 2.85Å; M398-I411 HydrophobicContact CE-CD1 3.84Å; M398-I411 HydrophobicContact CE-CG2 4.1Å; M398-I411 HydrophobicContact SD-CD1 4.37Å; F399-I411 HydrophobicContact CE1-CD1 3.76Å; F399-I411 HydrophobicContact CZ-CD1 3.67Å; I411-I413 HydrophobicContact CG2-CD1 4.12Å; I411-I413 HydrophobicContact CG2-CG1 4.5Å
412E92.1Very high82Confident102 Ų10282.9 Ų82.948%0.47739%0.394SS..EExtended strand (participates in β ladder)trans-94.9132.1179.9-57.6-173.1-179.200109.7R375R375-E412 HydrophobicContact CB-CG 4.49Å; R375-E412 VanDerWaalsContact CZ-CD 3.41Å; R375-E412 IonicContact CZ-OE1 2.91Å; R375-E412 IonicContact CZ-OE2 3.03Å; R375-E412 IonicContact NE-OE1 3.85Å; R375-E412 IonicContact NH1-OE1 3.59Å; R375-E412 PolarHBondContact NH1-OE1 3.16Å; R375-E412 IonicContact NH2-OE1 3.85Å; R375-E412 PolarHBondContact NH2-OE1 2.81Å; R375-E412 IonicContact NH2-OE2 2.68Å; R375-E412 PolarHBondContact NH2-OE2 3.17Å
413I91.9Very high83.9Confident18 Ų1873.4 Ų73.49%0.09236%0.358CS..  trans-126.9117177.4-55.5-70.1000108.3F374 R375 I376 I411 F416 Y421F374-I413 HydrophobicContact CD1-CD1 4.27Å; F374-I413 HydrophobicContact CD1-CG1 3.76Å; F374-I413 HydrophobicContact CE1-CD1 4.34Å; F374-I413 HydrophobicContact CE1-CG1 4.31Å; R375-I413 PolarHBondContact O-N 2.8Å; I376-I413 HydrophobicContact CG1-CB 3.83Å; I376-I413 HydrophobicContact CG1-CG1 4.47Å; I376-I413 HydrophobicContact CG1-CG2 4.45Å; I411-I413 HydrophobicContact CG2-CD1 4.12Å; I411-I413 HydrophobicContact CG2-CG1 4.5Å; I413-F416 HydrophobicContact CG2-CB 4.5Å; I413-F416 HydrophobicContact CG2-CD2 4.13Å; I413-Y421 HydrophobicContact CB-CE2 4.48Å; I413-Y421 HydrophobicContact CD1-CE2 4.19Å; I413-Y421 HydrophobicContact CG1-CE1 4.01Å; I413-Y421 HydrophobicContact CG1-CE2 4.05Å; I413-Y421 HydrophobicContact CG2-CD2 3.84Å; I413-Y421 HydrophobicContact CG2-CE2 3.84Å; I413-Y421 HydrophobicContact CG2-CG 4.43Å
414D89.3Confident85.6Confident144 Ų14465.9 Ų65.977%0.7733%0.329SS*.  trans-109.5-7.1-178.1-53-38.2000112.7
415Q87.8Confident87.2Confident164 Ų16459.2 Ų59.277%0.76629%0.294SS*.SBendtrans-86.9-24.5-171.2-65.6167.94.300113.3
416F90.3Very high88.8Confident18 Ų1858.6 Ų58.68%0.07929%0.291CS..SBendtrans-127.8146.6-173.6-60.4-75.9000110.2I376 I413 V420 Y421 L446I376-F416 WeakPolarHBondContact CG2-O 3.37Å; I413-F416 HydrophobicContact CG2-CB 4.5Å; I413-F416 HydrophobicContact CG2-CD2 4.13Å; F416-V420 HydrophobicContact CB-CG1 4.42Å; F416-V420 HydrophobicContact CD1-CG1 4.36Å; F416-Y421 HydrophobicContact CB-CD2 4.05Å; F416-Y421 AromaticContact CD2-CD2 3.99Å; F416-Y421 HydrophobicContact CD2-CD2 3.99Å; F416-Y421 HydrophobicContact CD2-CE2 4.21Å; F416-Y421 HydrophobicContact CG-CD2 4.32Å; F416-L446 HydrophobicContact CB-CD1 4.4Å; F416-L446 HydrophobicContact CD1-CB 4.1Å; F416-L446 HydrophobicContact CD1-CD1 4.12Å; F416-L446 HydrophobicContact CD1-CG 4.5Å; F416-L446 HydrophobicContact CD2-CD1 3.89Å; F416-L446 HydrophobicContact CD2-CG 4.42Å; F416-L446 HydrophobicContact CE1-CB 3.73Å; F416-L446 HydrophobicContact CE1-CD1 4.38Å; F416-L446 HydrophobicContact CE1-CG 4.28Å; F416-L446 HydrophobicContact CE2-CD1 4.17Å; F416-L446 HydrophobicContact CE2-CG 4.2Å; F416-L446 HydrophobicContact CG-CD1 3.86Å; F416-L446 HydrophobicContact CZ-CB 3.96Å; F416-L446 HydrophobicContact CZ-CD1 4.41Å; F416-L446 HydrophobicContact CZ-CG 4.13Å
417S91.8Very high90.4Very high49 Ų4956.7 Ų56.734%0.34328%0.28SS..  trans-68.7153.9176.667.40000111.4V420 Y421S417-V420 PolarHBondContact O-N 2.83Å; S417-V420 VanDerWaalsContact OG-CG2 3.31Å; S417-V420 WeakPolarHBondContact OG-CG2 3.4Å; S417-Y421 PolarHBondContact O-N 2.8Å
418Y94.1Very high91.8Very high39 Ų3949 Ų4915%0.15324%0.242CC..Hα-helixtrans-51.4-47.3177.4178.5-90.2000114.3I376 D377 K379 I381 V420 Y421 R422I376-Y418 HydrophobicContact CB-CD2 4.28Å; D377-Y418 PolarHBondContact OD2-N 2.95Å; D377-Y418 VanDerWaalsContact OD2-N 3.08Å; K379-Y418 HydrophobicContact CB-CD2 3.51Å; K379-Y418 HydrophobicContact CB-CE2 3.38Å; K379-Y418 HydrophobicContact CB-CG 4.38Å; K379-Y418 HydrophobicContact CD-CD1 3.98Å; K379-Y418 HydrophobicContact CD-CD2 3.79Å; K379-Y418 HydrophobicContact CD-CE1 4.06Å; K379-Y418 HydrophobicContact CD-CE2 3.87Å; K379-Y418 HydrophobicContact CD-CG 3.84Å; K379-Y418 HydrophobicContact CG-CD2 4.26Å; K379-Y418 HydrophobicContact CG-CE2 4.29Å; I381-Y418 HydrophobicContact CD1-CD2 4.13Å; I381-Y418 HydrophobicContact CD1-CE2 3.76Å; I381-Y418 HydrophobicContact CG1-CD2 4.26Å; I381-Y418 HydrophobicContact CG1-CE2 3.5Å; I381-Y418 VanDerWaalsContact CG1-CE2 3.5Å; Y418-V420 VanDerWaalsContact C-N 3.34Å; Y418-V420 PolarHBondContact O-N 2.8Å; Y418-Y421 PolarHBondContact O-N 3.12Å; Y418-R422 HydrophobicContact CE1-CB 4.48Å; Y418-R422 WeakPolarHBondContact O-CB 3.27Å; Y418-R422 PolarHBondContact O-N 3.48Å
419P93.8Very high92.8Very high56 Ų5645 Ų4536%0.36422%0.224SC..Hα-helixtrans-59.8-41.9179.1-23.634.7000113.2A423 L435P419-A423 WeakPolarHBondContact O-CB 3.47Å; P419-A423 PolarHBondContact O-N 3.23Å; P419-L435 HydrophobicContact CB-CD2 4.26Å
420V94.1Very high93.5Very high5 Ų539 Ų393%0.0320%0.198CC..Hα-helixtrans-66-51.4-179.4169.40000110.9F416 S417 Y418 R422 A423 F424 D439 G442 L443 L446F416-V420 HydrophobicContact CB-CG1 4.42Å; F416-V420 HydrophobicContact CD1-CG1 4.36Å; S417-V420 PolarHBondContact O-N 2.83Å; S417-V420 VanDerWaalsContact OG-CG2 3.31Å; S417-V420 WeakPolarHBondContact OG-CG2 3.4Å; Y418-V420 VanDerWaalsContact C-N 3.34Å; Y418-V420 PolarHBondContact O-N 2.8Å; V420-R422 VanDerWaalsContact C-N 3.34Å; V420-R422 PolarHBondContact O-N 3.27Å; V420-A423 PolarHBondContact O-N 2.9Å; V420-F424 PolarHBondContact O-N 3.17Å; V420-D439 HydrophobicContact CG2-CB 4.42Å; V420-G442 VanDerWaalsContact CG1-C 3.45Å; V420-L443 HydrophobicContact CG1-CB 4.25Å; V420-L446 HydrophobicContact CG1-CD1 4.25Å
421Y95.5Very high93.6Very high1 Ų139.6 Ų39.60%0.00420%0.2CC..Hα-helixtrans-68.2-36.1-177.6-151-92.7000111.8F374 I376 I413 F416 S417 Y418 F424 L425 L446 Y450F374-Y421 HydrophobicContact CB-CE1 4.35Å; F374-Y421 AromaticContact CD1-CE1 3.65Å; F374-Y421 HydrophobicContact CD1-CE1 3.65Å; F374-Y421 HydrophobicContact CD2-CE1 4.41Å; F374-Y421 AromaticContact CE1-CE1 3.97Å; F374-Y421 HydrophobicContact CE1-CE1 3.97Å; F374-Y421 WeakPolarHBondContact CE1-OH 3.34Å; F374-Y421 AromaticContact CG-CE1 3.89Å; F374-Y421 HydrophobicContact CG-CE1 3.89Å; F374-Y421 HydrophobicContact CZ-CE1 4.49Å; I376-Y421 HydrophobicContact CD1-CD1 3.8Å; I376-Y421 HydrophobicContact CD1-CG 4.27Å; I376-Y421 HydrophobicContact CG1-CD1 4.28Å; I376-Y421 HydrophobicContact CG1-CG 4.33Å; I413-Y421 HydrophobicContact CB-CE2 4.48Å; I413-Y421 HydrophobicContact CD1-CE2 4.19Å; I413-Y421 HydrophobicContact CG1-CE1 4.01Å; I413-Y421 HydrophobicContact CG1-CE2 4.05Å; I413-Y421 HydrophobicContact CG2-CD2 3.84Å; I413-Y421 HydrophobicContact CG2-CE2 3.84Å; I413-Y421 HydrophobicContact CG2-CG 4.43Å; F416-Y421 HydrophobicContact CB-CD2 4.05Å; F416-Y421 AromaticContact CD2-CD2 3.99Å; F416-Y421 HydrophobicContact CD2-CD2 3.99Å; F416-Y421 HydrophobicContact CD2-CE2 4.21Å; F416-Y421 HydrophobicContact CG-CD2 4.32Å; S417-Y421 PolarHBondContact O-N 2.8Å; Y418-Y421 PolarHBondContact O-N 3.12Å; Y421-F424 WeakPolarHBondContact O-CB 3.33Å; Y421-F424 PolarHBondContact O-N 2.88Å; Y421-L425 HydrophobicContact CD1-CD1 3.76Å; Y421-L425 HydrophobicContact CD1-CG 4.03Å; Y421-L425 HydrophobicContact CE1-CD1 3.84Å; Y421-L425 HydrophobicContact CE1-CD2 4.2Å; Y421-L425 HydrophobicContact CE1-CG 4.02Å; Y421-L425 WeakPolarHBondContact O-CG 3.42Å; Y421-L425 PolarHBondContact O-N 2.77Å; Y421-L446 HydrophobicContact CD2-CD1 3.42Å; Y421-L446 VanDerWaalsContact CD2-CD1 3.42Å; Y421-L446 HydrophobicContact CE2-CD1 3.8Å; Y421-L446 HydrophobicContact CG-CD1 4.34Å; Y421-Y450 HydrophobicContact CE2-CE2 4.22Å; Y421-Y450 PolarHBondContact OH-OH 3.23Å
422R95.9Very high93.7Very high74 Ų7442.8 Ų42.828%0.27922%0.22SC..Hα-helixtrans-62.7-45.1174-171.3178.7-174.9-76.2-2.7112.1F364 D365 I381 Y418 V420 F424 L425 Q426F364-R422 HydrophobicContact CE1-CG 4.26Å; F364-R422 HydrophobicContact CZ-CG 4.08Å; D365-R422 IonicContact OD2-NE 3.73Å; D365-R422 IonicContact OD2-NH2 3.82Å; I381-R422 HydrophobicContact CD1-CB 3.58Å; I381-R422 HydrophobicContact CD1-CG 3.97Å; Y418-R422 HydrophobicContact CE1-CB 4.48Å; Y418-R422 WeakPolarHBondContact O-CB 3.27Å; Y418-R422 PolarHBondContact O-N 3.48Å; V420-R422 VanDerWaalsContact C-N 3.34Å; V420-R422 PolarHBondContact O-N 3.27Å; R422-F424 VanDerWaalsContact C-N 3.3Å; R422-F424 PolarHBondContact O-N 3.32Å; R422-L425 PolarHBondContact O-N 3.31Å; R422-Q426 VanDerWaalsContact NH1-OE1 3.15Å; R422-Q426 VanDerWaalsContact O-CB 3.32Å; R422-Q426 WeakPolarHBondContact O-CB 3.49Å; R422-Q426 PolarHBondContact O-N 2.87Å
423A95.9Very high93.7Very high6 Ų639.1 Ų39.15%0.0521%0.205CC..Hα-helixtrans-64.2-37.217800000112.1P419 V420 Q426 Y427 L435 L443P419-A423 WeakPolarHBondContact O-CB 3.47Å; P419-A423 PolarHBondContact O-N 3.23Å; V420-A423 PolarHBondContact O-N 2.9Å; A423-Q426 PolarHBondContact O-N 2.84Å; A423-Y427 WeakPolarHBondContact O-CB 3.35Å; A423-Y427 PolarHBondContact O-N 3.21Å; A423-L435 HydrophobicContact CB-CD1 3.43Å; A423-L435 VanDerWaalsContact CB-CD1 3.43Å; A423-L435 HydrophobicContact CB-CD2 3.96Å; A423-L435 HydrophobicContact CB-CG 3.5Å; A423-L435 VanDerWaalsContact CB-CG 3.5Å; A423-L443 HydrophobicContact CB-CD2 4.22Å
424F96.7Very high93.4Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-59.3-52.3172.2171.6-118.8000111.9F395 V420 Y421 R422 Q426 Y427 L428 L443 L446 Y450 E452 L455F395-F424 HydrophobicContact CD2-CE1 4.5Å; F395-F424 HydrophobicContact CE2-CD1 4.48Å; F395-F424 AromaticContact CE2-CE1 3.46Å; F395-F424 HydrophobicContact CE2-CE1 3.46Å; F395-F424 VanDerWaalsContact CE2-CE1 3.46Å; F395-F424 HydrophobicContact CE2-CZ 4Å; F395-F424 AromaticContact CZ-CE1 3.82Å; F395-F424 HydrophobicContact CZ-CE1 3.82Å; V420-F424 PolarHBondContact O-N 3.17Å; Y421-F424 WeakPolarHBondContact O-CB 3.33Å; Y421-F424 PolarHBondContact O-N 2.88Å; R422-F424 VanDerWaalsContact C-N 3.3Å; R422-F424 PolarHBondContact O-N 3.32Å; F424-Q426 VanDerWaalsContact C-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.74Å; F424-Y427 WeakPolarHBondContact O-CB 3.48Å; F424-Y427 PolarHBondContact O-N 3.24Å; F424-L428 HydrophobicContact CE1-CD1 4.14Å; F424-L428 HydrophobicContact CE2-CD1 4.41Å; F424-L428 HydrophobicContact CE2-CD2 4.16Å; F424-L428 HydrophobicContact CE2-CG 4.34Å; F424-L428 HydrophobicContact CZ-CD1 3.9Å; F424-L428 HydrophobicContact CZ-CD2 4.31Å; F424-L428 HydrophobicContact CZ-CG 4.32Å; F424-L428 PolarHBondContact O-N 3.06Å; F424-L443 HydrophobicContact CB-CD1 3.59Å; F424-L446 HydrophobicContact CB-CD1 4.09Å; F424-L446 HydrophobicContact CB-CD2 3.75Å; F424-L446 HydrophobicContact CD1-CD1 4.32Å; F424-L446 HydrophobicContact CD1-CD2 3.53Å; F424-L446 HydrophobicContact CD2-CD2 3.38Å; F424-L446 HydrophobicContact CE1-CD2 3.91Å; F424-L446 HydrophobicContact CE2-CD2 3.81Å; F424-L446 HydrophobicContact CG-CD1 4.27Å; F424-L446 HydrophobicContact CG-CD2 3.23Å; F424-L446 HydrophobicContact CG-CG 4.42Å; F424-L446 HydrophobicContact CZ-CD2 4.07Å; F424-Y450 HydrophobicContact CD1-CD2 4.26Å; F424-Y450 HydrophobicContact CD1-CE2 4.12Å; F424-Y450 AromaticContact CE1-CD2 3.46Å; F424-Y450 HydrophobicContact CE1-CD2 3.46Å; F424-Y450 VanDerWaalsContact CE1-CD2 3.46Å; F424-Y450 AromaticContact CE1-CE2 3.52Å; F424-Y450 HydrophobicContact CE1-CE2 3.52Å; F424-Y450 HydrophobicContact CE2-CD2 4.21Å; F424-Y450 AromaticContact CZ-CD2 3.45Å; F424-Y450 HydrophobicContact CZ-CD2 3.45Å; F424-Y450 VanDerWaalsContact CZ-CD2 3.45Å; F424-Y450 HydrophobicContact CZ-CE2 4.03Å; F424-E452 HydrophobicContact CE2-CG 4.18Å; F424-L455 HydrophobicContact CD2-CD2 3.52Å; F424-L455 HydrophobicContact CE2-CD2 4Å
425L96.4Very high93.4Very high0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-62.6-42.4179.6-66.8174.3000110.8F364 F374 I381 V383 L388 F395 Y421 R422 Y427 L428 Y429F364-L425 HydrophobicContact CE2-CB 3.78Å; F364-L425 HydrophobicContact CZ-CB 4.17Å; F374-L425 HydrophobicContact CB-CD1 4.42Å; F374-L425 HydrophobicContact CD2-CD1 3.78Å; F374-L425 HydrophobicContact CD2-CD2 4.37Å; F374-L425 HydrophobicContact CE2-CD1 4.36Å; F374-L425 HydrophobicContact CE2-CD2 4.13Å; F374-L425 HydrophobicContact CG-CD1 4.24Å; I381-L425 HydrophobicContact CB-CD1 4.22Å; I381-L425 HydrophobicContact CD1-CD1 4.19Å; I381-L425 HydrophobicContact CG2-CD1 3.88Å; V383-L425 HydrophobicContact CG1-CB 4.36Å; V383-L425 HydrophobicContact CG1-CD1 4.05Å; L388-L425 HydrophobicContact CD2-CD2 3.86Å; F395-L425 HydrophobicContact CE2-CD2 3.95Å; F395-L425 HydrophobicContact CZ-CD2 4.03Å; Y421-L425 HydrophobicContact CD1-CD1 3.76Å; Y421-L425 HydrophobicContact CD1-CG 4.03Å; Y421-L425 HydrophobicContact CE1-CD1 3.84Å; Y421-L425 HydrophobicContact CE1-CD2 4.2Å; Y421-L425 HydrophobicContact CE1-CG 4.02Å; Y421-L425 WeakPolarHBondContact O-CG 3.42Å; Y421-L425 PolarHBondContact O-N 2.77Å; R422-L425 PolarHBondContact O-N 3.31Å; L425-Y427 VanDerWaalsContact C-N 3.32Å; L425-Y427 PolarHBondContact O-N 3.08Å; L425-L428 WeakPolarHBondContact O-CB 3.45Å; L425-L428 PolarHBondContact O-N 3.01Å; L425-L428 VanDerWaalsContact O-N 3.13Å; L425-Y429 VanDerWaalsContact O-CD2 3.28Å; L425-Y429 WeakPolarHBondContact O-CD2 3.23Å
426Q96.1Very high93.4Very high45 Ų4534.2 Ų34.221%0.2119%0.187CC..Hα-helixtrans-59.9-42.2176.9-169.8172.2-2.700111.9F364 R422 A423 F424 L428 Y429 T430F364-Q426 HydrophobicContact CD1-CB 4.07Å; F364-Q426 HydrophobicContact CD1-CG 3.84Å; F364-Q426 HydrophobicContact CE1-CB 3.52Å; F364-Q426 HydrophobicContact CE1-CG 3.73Å; F364-Q426 HydrophobicContact CE2-CB 4.18Å; F364-Q426 HydrophobicContact CG-CG 4.44Å; F364-Q426 HydrophobicContact CZ-CB 3.59Å; F364-Q426 HydrophobicContact CZ-CG 4.29Å; R422-Q426 VanDerWaalsContact NH1-OE1 3.15Å; R422-Q426 VanDerWaalsContact O-CB 3.32Å; R422-Q426 WeakPolarHBondContact O-CB 3.49Å; R422-Q426 PolarHBondContact O-N 2.87Å; A423-Q426 PolarHBondContact O-N 2.84Å; F424-Q426 VanDerWaalsContact C-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.74Å; Q426-L428 PolarHBondContact O-N 3.43Å; Q426-Y429 WeakPolarHBondContact O-CA 3.23Å; Q426-Y429 WeakPolarHBondContact O-CB 3.38Å; Q426-Y429 PolarHBondContact O-N 2.85Å; Q426-T430 HydrophobicContact CG-CG2 4.17Å; Q426-T430 PolarHBondContact O-N 3.45Å; Q426-T430 PolarHBondContact O-OG1 3.03Å
427Y96.4Very high93.2Very high7 Ų734.4 Ų34.43%0.02719%0.19CC..Hα-helixtrans-56.1-36.3176.2166-100000112.5A423 F424 L425 Y429 T430 D431 V433 R454 L455 L458A423-Y427 WeakPolarHBondContact O-CB 3.35Å; A423-Y427 PolarHBondContact O-N 3.21Å; F424-Y427 WeakPolarHBondContact O-CB 3.48Å; F424-Y427 PolarHBondContact O-N 3.24Å; L425-Y427 VanDerWaalsContact C-N 3.32Å; L425-Y427 PolarHBondContact O-N 3.08Å; Y427-Y429 PolarHBondContact O-N 3.23Å; Y427-T430 PolarHBondContact O-N 3.05Å; Y427-D431 WeakPolarHBondContact O-CA 2.89Å; Y427-D431 PolarHBondContact O-N 3.2Å; Y427-V433 HydrophobicContact CD2-CG2 4.03Å; Y427-V433 HydrophobicContact CG-CG2 4.36Å; Y427-R454 WeakPolarHBondContact OH-CG 3.47Å; Y427-L455 HydrophobicContact CD1-CB 4.24Å; Y427-L455 HydrophobicContact CD1-CD1 3.92Å; Y427-L455 HydrophobicContact CD1-CD2 3.91Å; Y427-L455 HydrophobicContact CD1-CG 4.26Å; Y427-L455 HydrophobicContact CD2-CD1 3.89Å; Y427-L455 HydrophobicContact CE1-CB 3.78Å; Y427-L455 HydrophobicContact CE1-CD1 4.18Å; Y427-L455 HydrophobicContact CE1-CD2 4.25Å; Y427-L455 HydrophobicContact CE1-CG 4.31Å; Y427-L455 HydrophobicContact CE2-CD1 4.15Å; Y427-L455 HydrophobicContact CG-CD1 3.76Å; Y427-L455 HydrophobicContact CG-CD2 4.45Å; Y427-L458 HydrophobicContact CD2-CD2 4.38Å; Y427-L458 HydrophobicContact CE2-CD2 4.27Å
428L95.7Very high92.9Very high3 Ų335.7 Ų35.72%0.01619%0.19CC..Hα-helixtrans-64-25.6177.2-60.6179.4000112.8L388 R391 C392 F395 F424 L425 Q426L388-L428 HydrophobicContact CD2-CD1 3.48Å; L388-L428 VanDerWaalsContact CD2-CD1 3.48Å; R391-L428 HydrophobicContact CB-CB 4.22Å; R391-L428 HydrophobicContact CB-CD2 4.07Å; R391-L428 PolarHBondContact NE-O 3.4Å; C392-L428 HydrophobicContact CB-CD1 4.1Å; C392-L428 HydrophobicContact CB-CD2 4.04Å; F395-L428 HydrophobicContact CD2-CD1 4Å; F395-L428 HydrophobicContact CE2-CD1 3.82Å; F424-L428 HydrophobicContact CE1-CD1 4.14Å; F424-L428 HydrophobicContact CE2-CD1 4.41Å; F424-L428 HydrophobicContact CE2-CD2 4.16Å; F424-L428 HydrophobicContact CE2-CG 4.34Å; F424-L428 HydrophobicContact CZ-CD1 3.9Å; F424-L428 HydrophobicContact CZ-CD2 4.31Å; F424-L428 HydrophobicContact CZ-CG 4.32Å; F424-L428 PolarHBondContact O-N 3.06Å; L425-L428 WeakPolarHBondContact O-CB 3.45Å; L425-L428 PolarHBondContact O-N 3.01Å; L425-L428 VanDerWaalsContact O-N 3.13Å; Q426-L428 PolarHBondContact O-N 3.43Å
429Y95.6Very high92.6Very high11 Ų1136.7 Ų36.74%0.04320%0.198CC..Hα-helixtrans-90.9-35.1176.8-73.3-105.5000113L360 F364 V383 H384 V387 L425 Q426 Y427L360-Y429 HydrophobicContact CB-CD1 4.19Å; L360-Y429 VanDerWaalsContact O-CD1 3.23Å; L360-Y429 WeakPolarHBondContact O-CD1 3.21Å; F364-Y429 HydrophobicContact CB-CD1 4.2Å; F364-Y429 HydrophobicContact CB-CG 4.14Å; F364-Y429 AromaticContact CD2-CD2 3.62Å; F364-Y429 HydrophobicContact CD2-CD2 3.62Å; F364-Y429 AromaticContact CD2-CE2 3.83Å; F364-Y429 HydrophobicContact CD2-CE2 3.83Å; F364-Y429 HydrophobicContact CD2-CG 4.03Å; F364-Y429 HydrophobicContact CE2-CD2 4.31Å; F364-Y429 HydrophobicContact CE2-CE2 4.42Å; F364-Y429 HydrophobicContact CG-CD2 4.45Å; F364-Y429 HydrophobicContact CG-CG 4.46Å; V383-Y429 HydrophobicContact CG1-CE2 4.32Å; H384-Y429 WeakPolarHBondContact CB-OH 3.32Å; H384-Y429 PolarHBondContact N-OH 3.24Å; H384-Y429 AromaticContact ND1-CE1 3.65Å; H384-Y429 AromaticContact ND1-CZ 3.75Å; H384-Y429 PolarHBondContact ND1-OH 3.4Å; V387-Y429 HydrophobicContact CB-CE1 4.15Å; V387-Y429 HydrophobicContact CB-CE2 4.33Å; V387-Y429 HydrophobicContact CG1-CD1 4.14Å; V387-Y429 HydrophobicContact CG1-CD2 4.06Å; V387-Y429 HydrophobicContact CG1-CE1 4Å; V387-Y429 HydrophobicContact CG1-CE2 3.88Å; V387-Y429 HydrophobicContact CG1-CG 4.19Å; V387-Y429 HydrophobicContact CG2-CD1 4.5Å; V387-Y429 HydrophobicContact CG2-CE1 3.87Å; L425-Y429 VanDerWaalsContact O-CD2 3.28Å; L425-Y429 WeakPolarHBondContact O-CD2 3.23Å; Q426-Y429 WeakPolarHBondContact O-CA 3.23Å; Q426-Y429 WeakPolarHBondContact O-CB 3.38Å; Q426-Y429 PolarHBondContact O-N 2.85Å; Y427-Y429 PolarHBondContact O-N 3.23Å
430T93.7Very high92.4Very high22 Ų2234 Ų3414%0.13518%0.181CC..Hα-helixtrans-117.4-9.1-164.269.30000115K361 Q426 Y427 T432K361-T430 HydrophobicContact CB-CG2 3.94Å; K361-T430 HydrophobicContact CD-CG2 4.12Å; K361-T430 HydrophobicContact CG-CG2 3.67Å; Q426-T430 HydrophobicContact CG-CG2 4.17Å; Q426-T430 PolarHBondContact O-N 3.45Å; Q426-T430 PolarHBondContact O-OG1 3.03Å; Y427-T430 PolarHBondContact O-N 3.05Å; T430-T432 WeakPolarHBondContact CB-OG1 3.35Å; T430-T432 PolarHBondContact O-N 3.46Å; T430-T432 PolarHBondContact OG1-N 3.25Å; T430-T432 PolarHBondContact OG1-O 2.98Å; T430-T432 PolarHBondContact OG1-OG1 3.28Å
431D93.2Very high92.1Very high58 Ų5833.8 Ų33.831%0.3118%0.18SC..SBendtrans59.110.9-171.6-78.9-67.8000114.3R391 Y427 R454R391-D431 IonicContact CZ-OD1 3.61Å; R391-D431 IonicContact CZ-OD2 2.96Å; R391-D431 IonicContact NH2-OD1 3.61Å; R391-D431 PolarHBondContact NH2-OD1 2.88Å; R391-D431 IonicContact NH2-OD2 3.99Å; R391-D431 PolarHBondContact NH2-OD2 2.83Å; R391-D431 VanDerWaalsContact NH2-OD2 3.17Å; Y427-D431 WeakPolarHBondContact O-CA 2.89Å; Y427-D431 PolarHBondContact O-N 3.2Å; D431-R454 IonicContact OD1-CZ 3.59Å; D431-R454 IonicContact OD1-NH1 3.38Å; D431-R454 PolarHBondContact OD1-NH1 3.01Å; D431-R454 IonicContact OD1-NH2 3.16Å
432T91.1Very high91.8Very high77 Ų7734 Ų3447%0.47218%0.183SC..  trans-120.7150-177.761.90000111.3T430T430-T432 WeakPolarHBondContact CB-OG1 3.35Å; T430-T432 PolarHBondContact O-N 3.46Å; T430-T432 PolarHBondContact OG1-N 3.25Å; T430-T432 PolarHBondContact OG1-O 2.98Å; T430-T432 PolarHBondContact OG1-OG1 3.28Å
433V91.9Very high91.6Very high25 Ų2530.5 Ų30.515%0.15217%0.169CC..  trans-120.9127.9172.5172.20000108.1Y427 L435 L443 L455 L458 I462Y427-V433 HydrophobicContact CD2-CG2 4.03Å; Y427-V433 HydrophobicContact CG-CG2 4.36Å; V433-L435 HydrophobicContact CG1-CB 4.13Å; V433-L435 HydrophobicContact CG1-CD1 4.46Å; V433-L435 HydrophobicContact CG1-CG 4.33Å; V433-L443 HydrophobicContact CB-CD2 4.36Å; V433-L443 HydrophobicContact CG1-CD2 3.51Å; V433-L443 HydrophobicContact CG2-CD2 3.84Å; V433-L455 HydrophobicContact CG2-CD1 3.43Å; V433-L455 VanDerWaalsContact CG2-CD1 3.43Å; V433-L458 HydrophobicContact CB-CD2 3.86Å; V433-L458 HydrophobicContact CB-CG 4.48Å; V433-L458 HydrophobicContact CG2-CD2 3.5Å; V433-L458 HydrophobicContact CG2-CG 4.37Å; V433-I462 HydrophobicContact CB-CD1 3.88Å; V433-I462 HydrophobicContact CG1-CD1 3.65Å
434D86.1Confident91.4Very high140 Ų14030.6 Ų30.675%0.74917%0.169SC*.  trans-12187.2173.9-172.619.2000108
435L88.7Confident91Very high24 Ų2432.8 Ų32.813%0.12618%0.181CC..  trans-142.3146.2178.1-82-177.4000109.9P419 A423 V433 D439 L443P419-L435 HydrophobicContact CB-CD2 4.26Å; A423-L435 HydrophobicContact CB-CD1 3.43Å; A423-L435 VanDerWaalsContact CB-CD1 3.43Å; A423-L435 HydrophobicContact CB-CD2 3.96Å; A423-L435 HydrophobicContact CB-CG 3.5Å; A423-L435 VanDerWaalsContact CB-CG 3.5Å; V433-L435 HydrophobicContact CG1-CB 4.13Å; V433-L435 HydrophobicContact CG1-CD1 4.46Å; V433-L435 HydrophobicContact CG1-CG 4.33Å; L435-D439 HydrophobicContact CD1-CB 4.3Å; L435-D439 HydrophobicContact CD2-CB 4.14Å; L435-L443 HydrophobicContact CD1-CB 3.99Å; L435-L443 HydrophobicContact CD1-CD2 3.75Å; L435-L443 HydrophobicContact CD1-CG 4.45Å
436P87.8Confident90.7Very high59 Ų5932.8 Ų32.838%0.38318%0.181SC..  trans-66.7154.517134-37.6000110.3E438 D439 A440P436-E438 WeakPolarHBondContact CB-OE2 3.44Å; P436-E438 PolarHBondContact O-N 2.71Å; P436-E438 VanDerWaalsContact O-N 3.12Å; P436-D439 HydrophobicContact CG-CB 4.03Å; P436-D439 VanDerWaalsContact CG-OD2 3.28Å; P436-D439 WeakPolarHBondContact CG-OD2 3.39Å; P436-D439 PolarHBondContact O-N 2.74Å; P436-D439 VanDerWaalsContact O-N 3.15Å; P436-A440 PolarHBondContact O-N 3.07Å
437P87.3Confident90.5Very high22 Ų2230.7 Ų30.714%0.14317%0.171CC..Hα-helixtrans-54.3-33.1-175.5-2837000114.3A440 L475P437-A440 PolarHBondContact O-N 3.2Å; P437-L475 HydrophobicContact CB-CD1 4.25Å; P437-L475 HydrophobicContact CB-CD2 4.05Å; P437-L475 VanDerWaalsContact O-CD2 3.31Å; P437-L475 WeakPolarHBondContact O-CD2 3.31Å
438E84.7Confident90.1Very high75 Ų7533.4 Ų33.435%0.3519%0.188SC..Hα-helixtrans-67.4-42-178.2-5677-166.100111.5P436 N471 L475P436-E438 WeakPolarHBondContact CB-OE2 3.44Å; P436-E438 PolarHBondContact O-N 2.71Å; P436-E438 VanDerWaalsContact O-N 3.12Å; E438-N471 HydrophobicContact CG-CB 4.32Å; E438-N471 WeakPolarHBondContact OE1-CB 3.5Å; E438-N471 PolarHBondContact OE1-ND2 3.14Å; E438-L475 HydrophobicContact CG-CD2 4.41Å
439D88.1Confident89.8Confident60 Ų6036.4 Ų36.432%0.32121%0.209SC..Hα-helixtrans-79.1-24.6177.6-68.6-31.7000112.2V420 L435 P436 I441 G442 L443V420-D439 HydrophobicContact CG2-CB 4.42Å; L435-D439 HydrophobicContact CD1-CB 4.3Å; L435-D439 HydrophobicContact CD2-CB 4.14Å; P436-D439 HydrophobicContact CG-CB 4.03Å; P436-D439 VanDerWaalsContact CG-OD2 3.28Å; P436-D439 WeakPolarHBondContact CG-OD2 3.39Å; P436-D439 PolarHBondContact O-N 2.74Å; P436-D439 VanDerWaalsContact O-N 3.15Å; D439-I441 PolarHBondContact O-N 3.4Å; D439-I441 VanDerWaalsContact O-N 3.14Å; D439-G442 PolarHBondContact O-N 2.85Å; D439-L443 PolarHBondContact O-N 2.91Å
440A90.6Very high89.6Confident0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-61.9-21.2178.700000113.1P436 P437 L443 L444 I462 I463P436-A440 PolarHBondContact O-N 3.07Å; P437-A440 PolarHBondContact O-N 3.2Å; A440-L443 PolarHBondContact O-N 3.09Å; A440-L444 WeakPolarHBondContact O-CB 3.13Å; A440-L444 PolarHBondContact O-N 3.03Å; A440-I462 HydrophobicContact CB-CB 4.41Å; A440-I462 HydrophobicContact CB-CG2 3.93Å; A440-I463 HydrophobicContact CB-CD1 4.36Å; A440-I463 HydrophobicContact CB-CG1 3.87Å
441I86.6Confident89.4Confident1 Ų140.6 Ų40.61%0.00524%0.237CC..Hα-helixtrans-72-39.6173.9-59.5172.2000110.9D439 L443 L444 D445 I463 L475 A478 Y482D439-I441 PolarHBondContact O-N 3.4Å; D439-I441 VanDerWaalsContact O-N 3.14Å; I441-L443 VanDerWaalsContact C-N 3.27Å; I441-L443 PolarHBondContact O-N 2.88Å; I441-L444 WeakPolarHBondContact O-CB 3.38Å; I441-L444 PolarHBondContact O-N 3.06Å; I441-L444 VanDerWaalsContact O-N 3.17Å; I441-D445 PolarHBondContact O-N 2.93Å; I441-I463 HydrophobicContact CB-CD1 4.42Å; I441-I463 HydrophobicContact CG1-CD1 3.49Å; I441-I463 VanDerWaalsContact CG1-CD1 3.49Å; I441-I463 HydrophobicContact CG1-CG1 3.97Å; I441-L475 HydrophobicContact CD1-CB 4.32Å; I441-L475 HydrophobicContact CD1-CD2 3.65Å; I441-L475 WeakPolarHBondContact CD1-O 3.32Å; I441-L475 HydrophobicContact CG1-CD2 4.4Å; I441-A478 HydrophobicContact CB-CB 4.25Å; I441-A478 HydrophobicContact CD1-CB 3.34Å; I441-A478 HydrophobicContact CG1-CB 4.36Å; I441-A478 HydrophobicContact CG2-CB 4.05Å; I441-Y482 HydrophobicContact CB-CD2 4.46Å; I441-Y482 HydrophobicContact CG2-CD2 3.34Å; I441-Y482 HydrophobicContact CG2-CE2 3.93Å; I441-Y482 HydrophobicContact CG2-CG 4.04Å
442G89Confident89.3Confident6 Ų639.2 Ų39.26%0.06223%0.228CC..Hα-helixtrans-62.9-37.7172.400000111.7V420 D439 L444 D445 L446V420-G442 VanDerWaalsContact CG1-C 3.45Å; D439-G442 PolarHBondContact O-N 2.85Å; G442-L444 VanDerWaalsContact C-N 3.34Å; G442-D445 PolarHBondContact O-N 2.92Å; G442-L446 PolarHBondContact O-N 2.86Å; G442-L446 VanDerWaalsContact O-N 3.08Å
443L92.8Very high89.2Confident0 Ų041.1 Ų41.10%024%0.236CC..Hα-helixtrans-68.6-32.8174.5-173.359.9000112.6V420 A423 F424 V433 L435 D439 A440 I441 L446 A447 L455 C459V420-L443 HydrophobicContact CG1-CB 4.25Å; A423-L443 HydrophobicContact CB-CD2 4.22Å; F424-L443 HydrophobicContact CB-CD1 3.59Å; V433-L443 HydrophobicContact CB-CD2 4.36Å; V433-L443 HydrophobicContact CG1-CD2 3.51Å; V433-L443 HydrophobicContact CG2-CD2 3.84Å; L435-L443 HydrophobicContact CD1-CB 3.99Å; L435-L443 HydrophobicContact CD1-CD2 3.75Å; L435-L443 HydrophobicContact CD1-CG 4.45Å; D439-L443 PolarHBondContact O-N 2.91Å; A440-L443 PolarHBondContact O-N 3.09Å; I441-L443 VanDerWaalsContact C-N 3.27Å; I441-L443 PolarHBondContact O-N 2.88Å; L443-L446 PolarHBondContact O-N 2.98Å; L443-A447 VanDerWaalsContact O-CB 3.24Å; L443-A447 WeakPolarHBondContact O-CB 3.38Å; L443-A447 PolarHBondContact O-N 2.96Å; L443-L455 HydrophobicContact CD1-CD2 4.03Å; L443-L455 HydrophobicContact CD2-CD1 4.08Å; L443-L455 HydrophobicContact CG-CD1 4.36Å; L443-L455 HydrophobicContact CG-CD2 4.31Å; L443-L455 HydrophobicContact CG-CG 4.45Å; L443-C459 VanDerWaalsContact CG-SG 3.58Å
444L90.3Very high89.2Confident7 Ų747 Ų474%0.03726%0.255CS..Hα-helixtrans-64.4-42.6174.3178.770.1000111.9A440 I441 G442 A447 T448 K456 C459 Q460 I463 A484 L487A440-L444 WeakPolarHBondContact O-CB 3.13Å; A440-L444 PolarHBondContact O-N 3.03Å; I441-L444 WeakPolarHBondContact O-CB 3.38Å; I441-L444 PolarHBondContact O-N 3.06Å; I441-L444 VanDerWaalsContact O-N 3.17Å; G442-L444 VanDerWaalsContact C-N 3.34Å; L444-A447 PolarHBondContact O-N 2.92Å; L444-T448 WeakPolarHBondContact O-CB 3.35Å; L444-T448 PolarHBondContact O-N 3.05Å; L444-T448 PolarHBondContact O-OG1 2.93Å; L444-K456 HydrophobicContact CD1-CB 4.22Å; L444-K456 HydrophobicContact CD1-CG 3.42Å; L444-K456 VanDerWaalsContact CD1-CG 3.42Å; L444-K456 WeakPolarHBondContact CD1-O 3.21Å; L444-C459 HydrophobicContact CB-CB 3.89Å; L444-C459 HydrophobicContact CD1-CB 4.01Å; L444-Q460 HydrophobicContact CD1-CG 3.91Å; L444-Q460 HydrophobicContact CD2-CG 4.42Å; L444-I463 HydrophobicContact CD2-CD1 4.43Å; L444-A484 HydrophobicContact CD2-CB 4.2Å; L444-L487 HydrophobicContact CD2-CD1 3.22Å
445D88.5Confident89.5Confident47 Ų4740.3 Ų40.325%0.25122%0.219SC..Hα-helixtrans-63.4-46.5175.8-178.441.3000111.2I441 G442 A447 T448 S449 Y482I441-D445 PolarHBondContact O-N 2.93Å; G442-D445 PolarHBondContact O-N 2.92Å; D445-A447 PolarHBondContact O-N 2.99Å; D445-T448 WeakPolarHBondContact O-CB 3.08Å; D445-T448 PolarHBondContact O-N 2.87Å; D445-T448 VanDerWaalsContact O-N 3.12Å; D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.8Å; D445-S449 PolarHBondContact O-OG 2.69Å; D445-S449 VanDerWaalsContact O-OG 3.06Å; D445-Y482 HydrophobicContact CB-CD1 3.43Å; D445-Y482 VanDerWaalsContact CB-CD1 3.43Å; D445-Y482 HydrophobicContact CB-CE1 3.78Å; D445-Y482 HydrophobicContact CB-CG 4.15Å; D445-Y482 VanDerWaalsContact CG-CD1 3.4Å; D445-Y482 WeakPolarHBondContact OD2-CD1 3.44Å; D445-Y482 WeakPolarHBondContact OD2-CE1 3.22Å
446L91.4Very high89.6Confident0 Ų042.6 Ų42.60%023%0.228CC..Hα-helixtrans-59.5-46.5174.4-171.3157.7000111.7F416 V420 Y421 F424 G442 L443 T448 S449 Y450F416-L446 HydrophobicContact CB-CD1 4.4Å; F416-L446 HydrophobicContact CD1-CB 4.1Å; F416-L446 HydrophobicContact CD1-CD1 4.12Å; F416-L446 HydrophobicContact CD1-CG 4.5Å; F416-L446 HydrophobicContact CD2-CD1 3.89Å; F416-L446 HydrophobicContact CD2-CG 4.42Å; F416-L446 HydrophobicContact CE1-CB 3.73Å; F416-L446 HydrophobicContact CE1-CD1 4.38Å; F416-L446 HydrophobicContact CE1-CG 4.28Å; F416-L446 HydrophobicContact CE2-CD1 4.17Å; F416-L446 HydrophobicContact CE2-CG 4.2Å; F416-L446 HydrophobicContact CG-CD1 3.86Å; F416-L446 HydrophobicContact CZ-CB 3.96Å; F416-L446 HydrophobicContact CZ-CD1 4.41Å; F416-L446 HydrophobicContact CZ-CG 4.13Å; V420-L446 HydrophobicContact CG1-CD1 4.25Å; Y421-L446 HydrophobicContact CD2-CD1 3.42Å; Y421-L446 VanDerWaalsContact CD2-CD1 3.42Å; Y421-L446 HydrophobicContact CE2-CD1 3.8Å; Y421-L446 HydrophobicContact CG-CD1 4.34Å; F424-L446 HydrophobicContact CB-CD1 4.09Å; F424-L446 HydrophobicContact CB-CD2 3.75Å; F424-L446 HydrophobicContact CD1-CD1 4.32Å; F424-L446 HydrophobicContact CD1-CD2 3.53Å; F424-L446 HydrophobicContact CD2-CD2 3.38Å; F424-L446 HydrophobicContact CE1-CD2 3.91Å; F424-L446 HydrophobicContact CE2-CD2 3.81Å; F424-L446 HydrophobicContact CG-CD1 4.27Å; F424-L446 HydrophobicContact CG-CD2 3.23Å; F424-L446 HydrophobicContact CG-CG 4.42Å; F424-L446 HydrophobicContact CZ-CD2 4.07Å; G442-L446 PolarHBondContact O-N 2.86Å; G442-L446 VanDerWaalsContact O-N 3.08Å; L443-L446 PolarHBondContact O-N 2.98Å; L446-T448 PolarHBondContact O-N 3Å; L446-S449 WeakPolarHBondContact O-CB 3.41Å; L446-S449 PolarHBondContact O-N 3.2Å; L446-Y450 HydrophobicContact CD2-CD2 3.49Å; L446-Y450 VanDerWaalsContact CD2-CD2 3.49Å; L446-Y450 HydrophobicContact CD2-CE2 3.75Å; L446-Y450 HydrophobicContact CD2-CG 4.34Å; L446-Y450 HydrophobicContact CG-CD2 4.17Å; L446-Y450 HydrophobicContact CG-CE2 4.08Å; L446-Y450 PolarHBondContact O-N 3.15Å
447A91.4Very high89.7Confident0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-60.2-34.7176.900000112L443 L444 D445 C451 E452 L455 K456L443-A447 VanDerWaalsContact O-CB 3.24Å; L443-A447 WeakPolarHBondContact O-CB 3.38Å; L443-A447 PolarHBondContact O-N 2.96Å; L444-A447 PolarHBondContact O-N 2.92Å; D445-A447 PolarHBondContact O-N 2.99Å; A447-C451 CarbonylContact O-C 3.54Å; A447-C451 PolarHBondContact O-N 3.43Å; A447-E452 HydrophobicContact CB-CB 4.38Å; A447-E452 PolarHBondContact O-N 3.46Å; A447-L455 HydrophobicContact CB-CB 3.97Å; A447-L455 HydrophobicContact CB-CD2 3.78Å; A447-L455 HydrophobicContact CB-CG 3.74Å; A447-K456 HydrophobicContact CB-CB 4.41Å
448T88.3Confident89.9Confident64 Ų6448.6 Ų48.639%0.39325%0.248SC..Hα-helixtrans-71.1-46.3175.5-57.70000110.7L444 D445 L446 Y450 C451L444-T448 WeakPolarHBondContact O-CB 3.35Å; L444-T448 PolarHBondContact O-N 3.05Å; L444-T448 PolarHBondContact O-OG1 2.93Å; D445-T448 WeakPolarHBondContact O-CB 3.08Å; D445-T448 PolarHBondContact O-N 2.87Å; D445-T448 VanDerWaalsContact O-N 3.12Å; L446-T448 PolarHBondContact O-N 3Å; T448-Y450 VanDerWaalsContact C-N 3.28Å; T448-Y450 PolarHBondContact O-N 2.83Å; T448-C451 PolarHBondContact O-N 3.5Å; T448-C451 VanDerWaalsContact O-N 3.07Å
449S89.3Confident90.2Very high66 Ų6645 Ų4546%0.46223%0.232SC..Hα-helixtrans-57.5-38.6176.7-64.70000112.8D445 L446D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.8Å; D445-S449 PolarHBondContact O-OG 2.69Å; D445-S449 VanDerWaalsContact O-OG 3.06Å; L446-S449 WeakPolarHBondContact O-CB 3.41Å; L446-S449 PolarHBondContact O-N 3.2Å
450Y90.9Very high90.2Very high23 Ų2344 Ų449%0.0923%0.225CC..THydrogen-bonded Turntrans-95.77.1178.5-62.8-13.9000114H394 F395 Y421 F424 L446 T448 E452H394-Y450 HydrophobicContact CB-CD1 4.16Å; H394-Y450 HydrophobicContact CB-CG 4.1Å; H394-Y450 AromaticContact CD2-CD1 3.67Å; H394-Y450 AromaticContact CD2-CE1 3.52Å; H394-Y450 AromaticContact CD2-CZ 3.76Å; H394-Y450 AromaticContact CE1-CD1 3.96Å; H394-Y450 AromaticContact CE1-CE1 3.69Å; H394-Y450 AromaticContact CG-CD1 3.6Å; H394-Y450 AromaticContact CG-CE1 3.91Å; H394-Y450 AromaticContact CG-CG 3.98Å; H394-Y450 AromaticContact ND1-CD1 3.79Å; H394-Y450 AromaticContact NE2-CD1 3.91Å; H394-Y450 AromaticContact NE2-CE1 3.38Å; H394-Y450 WeakPolarHBondContact NE2-CE1 3.24Å; H394-Y450 AromaticContact NE2-CZ 3.77Å; F395-Y450 HydrophobicContact CZ-CE2 4.45Å; Y421-Y450 HydrophobicContact CE2-CE2 4.22Å; Y421-Y450 PolarHBondContact OH-OH 3.23Å; F424-Y450 HydrophobicContact CD1-CD2 4.26Å; F424-Y450 HydrophobicContact CD1-CE2 4.12Å; F424-Y450 AromaticContact CE1-CD2 3.46Å; F424-Y450 HydrophobicContact CE1-CD2 3.46Å; F424-Y450 VanDerWaalsContact CE1-CD2 3.46Å; F424-Y450 AromaticContact CE1-CE2 3.52Å; F424-Y450 HydrophobicContact CE1-CE2 3.52Å; F424-Y450 HydrophobicContact CE2-CD2 4.21Å; F424-Y450 AromaticContact CZ-CD2 3.45Å; F424-Y450 HydrophobicContact CZ-CD2 3.45Å; F424-Y450 VanDerWaalsContact CZ-CD2 3.45Å; F424-Y450 HydrophobicContact CZ-CE2 4.03Å; L446-Y450 HydrophobicContact CD2-CD2 3.49Å; L446-Y450 VanDerWaalsContact CD2-CD2 3.49Å; L446-Y450 HydrophobicContact CD2-CE2 3.75Å; L446-Y450 HydrophobicContact CD2-CG 4.34Å; L446-Y450 HydrophobicContact CG-CD2 4.17Å; L446-Y450 HydrophobicContact CG-CE2 4.08Å; L446-Y450 PolarHBondContact O-N 3.15Å; T448-Y450 VanDerWaalsContact C-N 3.28Å; T448-Y450 PolarHBondContact O-N 2.83Å; Y450-E452 VanDerWaalsContact C-N 3.26Å; Y450-E452 PolarHBondContact O-N 3.37Å
451C89.2Confident90.2Very high98 Ų9848 Ų4866%0.66224%0.243SC*.THydrogen-bonded Turntrans59.130.6177.7-64.80000114.8A447 T448 N453A447-C451 CarbonylContact O-C 3.54Å; A447-C451 PolarHBondContact O-N 3.43Å; T448-C451 PolarHBondContact O-N 3.5Å; T448-C451 VanDerWaalsContact O-N 3.07Å; C451-N453 PolarHBondContact O-N 3.39Å; C451-N453 VanDerWaalsContact O-N 3.16Å
452E92.1Very high90.4Very high29 Ų2949.5 Ų49.514%0.13625%0.251CS..  trans-85.980.6178.8-70.3-61.9157.300111.8C392 F424 A447 Y450 R454 L455 K456C392-E452 WeakPolarHBondContact CA-OE1 3.1Å; C392-E452 PolarHBondContact SG-OE1 2.95Å; F424-E452 HydrophobicContact CE2-CG 4.18Å; A447-E452 HydrophobicContact CB-CB 4.38Å; A447-E452 PolarHBondContact O-N 3.46Å; Y450-E452 VanDerWaalsContact C-N 3.26Å; Y450-E452 PolarHBondContact O-N 3.37Å; E452-R454 VanDerWaalsContact C-N 3.31Å; E452-R454 PolarHBondContact O-N 2.88Å; E452-L455 HydrophobicContact CB-CB 3.97Å; E452-L455 PolarHBondContact O-N 2.83Å; E452-K456 PolarHBondContact O-N 2.95Å
453N88.6Confident90.5Very high117 Ų11749.2 Ų49.263%0.62625%0.248SC*.Hα-helixtrans-59-35.2-173.5-71.7-51.4000114.8C451 K457C451-N453 PolarHBondContact O-N 3.39Å; C451-N453 VanDerWaalsContact O-N 3.16Å; N453-K457 PolarHBondContact O-N 3.37Å
454R91.1Very high90.3Very high149 Ų14953 Ų5356%0.56227%0.265SS*.Hα-helixtrans-70.3-42.8179.2-176.1176.3174.2-156.1-5.6110.9Y427 D431 E452 K456 K457 L458Y427-R454 WeakPolarHBondContact OH-CG 3.47Å; D431-R454 IonicContact OD1-CZ 3.59Å; D431-R454 IonicContact OD1-NH1 3.38Å; D431-R454 PolarHBondContact OD1-NH1 3.01Å; D431-R454 IonicContact OD1-NH2 3.16Å; E452-R454 VanDerWaalsContact C-N 3.31Å; E452-R454 PolarHBondContact O-N 2.88Å; R454-K456 VanDerWaalsContact C-N 3.34Å; R454-K457 PolarHBondContact O-N 2.99Å; R454-L458 PolarHBondContact O-N 3.45Å; R454-L458 VanDerWaalsContact O-N 3.1Å
455L93.1Very high90.3Very high0 Ų061.9 Ų61.90%030%0.298CS..Hα-helixtrans-64.2-40.6175.4-176.458.3000111.5F424 Y427 V433 L443 A447 E452 K457 L458 C459F424-L455 HydrophobicContact CD2-CD2 3.52Å; F424-L455 HydrophobicContact CE2-CD2 4Å; Y427-L455 HydrophobicContact CD1-CB 4.24Å; Y427-L455 HydrophobicContact CD1-CD1 3.92Å; Y427-L455 HydrophobicContact CD1-CD2 3.91Å; Y427-L455 HydrophobicContact CD1-CG 4.26Å; Y427-L455 HydrophobicContact CD2-CD1 3.89Å; Y427-L455 HydrophobicContact CE1-CB 3.78Å; Y427-L455 HydrophobicContact CE1-CD1 4.18Å; Y427-L455 HydrophobicContact CE1-CD2 4.25Å; Y427-L455 HydrophobicContact CE1-CG 4.31Å; Y427-L455 HydrophobicContact CE2-CD1 4.15Å; Y427-L455 HydrophobicContact CG-CD1 3.76Å; Y427-L455 HydrophobicContact CG-CD2 4.45Å; V433-L455 HydrophobicContact CG2-CD1 3.43Å; V433-L455 VanDerWaalsContact CG2-CD1 3.43Å; L443-L455 HydrophobicContact CD1-CD2 4.03Å; L443-L455 HydrophobicContact CD2-CD1 4.08Å; L443-L455 HydrophobicContact CG-CD1 4.36Å; L443-L455 HydrophobicContact CG-CD2 4.31Å; L443-L455 HydrophobicContact CG-CG 4.45Å; A447-L455 HydrophobicContact CB-CB 3.97Å; A447-L455 HydrophobicContact CB-CD2 3.78Å; A447-L455 HydrophobicContact CB-CG 3.74Å; E452-L455 HydrophobicContact CB-CB 3.97Å; E452-L455 PolarHBondContact O-N 2.83Å; L455-K457 VanDerWaalsContact C-N 3.34Å; L455-K457 PolarHBondContact O-N 2.92Å; L455-L458 WeakPolarHBondContact O-CB 3.17Å; L455-L458 PolarHBondContact O-N 3.17Å; L455-L458 VanDerWaalsContact O-N 3.1Å; L455-C459 PolarHBondContact O-N 2.97Å; L455-C459 PolarHBondContact O-SG 2.97Å
456K90.3Very high90.3Very high72 Ų7260.7 Ų60.731%0.31330%0.297SS..Hα-helixtrans-53-50.4174.4-168.1-176.2-177.3170.20111.7L444 A447 E452 R454 L458 C459 Q460L444-K456 HydrophobicContact CD1-CB 4.22Å; L444-K456 HydrophobicContact CD1-CG 3.42Å; L444-K456 VanDerWaalsContact CD1-CG 3.42Å; L444-K456 WeakPolarHBondContact CD1-O 3.21Å; A447-K456 HydrophobicContact CB-CB 4.41Å; E452-K456 PolarHBondContact O-N 2.95Å; R454-K456 VanDerWaalsContact C-N 3.34Å; K456-L458 VanDerWaalsContact C-N 3.34Å; K456-L458 PolarHBondContact O-N 2.94Å; K456-C459 PolarHBondContact O-N 2.85Å; K456-Q460 WeakPolarHBondContact O-CG 3.21Å; K456-Q460 PolarHBondContact O-N 3.1Å; K456-Q460 VanDerWaalsContact O-N 3.1Å
457K89.6Confident90.4Very high151 Ų15161.6 Ų61.666%0.65730%0.301SS*.Hα-helixtrans-62.6-39.6177.3-71179-179.1-179.50112.4N453 R454 L455 H461N453-K457 PolarHBondContact O-N 3.37Å; R454-K457 PolarHBondContact O-N 2.99Å; L455-K457 VanDerWaalsContact C-N 3.34Å; L455-K457 PolarHBondContact O-N 2.92Å; K457-H461 WeakPolarHBondContact O-CB 3.26Å; K457-H461 PolarHBondContact O-N 3.4Å; K457-H461 VanDerWaalsContact O-N 3.12Å
458L91.5Very high90.5Very high55 Ų5564.8 Ų64.829%0.28832%0.321SS..Hα-helixtrans-64.5-44.5178.8-172.763.6000111.4Y427 V433 R454 L455 K456 H461 I462Y427-L458 HydrophobicContact CD2-CD2 4.38Å; Y427-L458 HydrophobicContact CE2-CD2 4.27Å; V433-L458 HydrophobicContact CB-CD2 3.86Å; V433-L458 HydrophobicContact CB-CG 4.48Å; V433-L458 HydrophobicContact CG2-CD2 3.5Å; V433-L458 HydrophobicContact CG2-CG 4.37Å; R454-L458 PolarHBondContact O-N 3.45Å; R454-L458 VanDerWaalsContact O-N 3.1Å; L455-L458 WeakPolarHBondContact O-CB 3.17Å; L455-L458 PolarHBondContact O-N 3.17Å; L455-L458 VanDerWaalsContact O-N 3.1Å; K456-L458 VanDerWaalsContact C-N 3.34Å; K456-L458 PolarHBondContact O-N 2.94Å; L458-H461 WeakPolarHBondContact O-CB 3.35Å; L458-H461 PolarHBondContact O-N 3.47Å; L458-I462 HydrophobicContact CG-CD1 4.25Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.36Å
459C91.8Very high90.7Very high0 Ų063.3 Ų63.30%031%0.311CS..Hα-helixtrans-62.8-46.5177.5-60.90000111.7L443 L444 L455 K456 H461 I462 I463L443-C459 VanDerWaalsContact CG-SG 3.58Å; L444-C459 HydrophobicContact CB-CB 3.89Å; L444-C459 HydrophobicContact CD1-CB 4.01Å; L455-C459 PolarHBondContact O-N 2.97Å; L455-C459 PolarHBondContact O-SG 2.97Å; K456-C459 PolarHBondContact O-N 2.85Å; C459-H461 PolarHBondContact O-N 2.86Å; C459-I462 PolarHBondContact O-N 3Å; C459-I463 WeakPolarHBondContact O-CD1 3.47Å; C459-I463 VanDerWaalsContact O-CG1 3.28Å; C459-I463 WeakPolarHBondContact O-CG1 3.22Å; C459-I463 PolarHBondContact O-N 2.78Å
460Q88.9Confident90.7Very high39 Ų3967.7 Ų67.718%0.18233%0.325CS..Hα-helixtrans-56-38.2175.2-72.6178.5-19.800112.3L444 K456 K464 L487L444-Q460 HydrophobicContact CD1-CG 3.91Å; L444-Q460 HydrophobicContact CD2-CG 4.42Å; K456-Q460 WeakPolarHBondContact O-CG 3.21Å; K456-Q460 PolarHBondContact O-N 3.1Å; K456-Q460 VanDerWaalsContact O-N 3.1Å; Q460-K464 WeakPolarHBondContact O-CB 3.47Å; Q460-K464 VanDerWaalsContact O-CG 3.24Å; Q460-K464 WeakPolarHBondContact O-CG 3.23Å; Q460-K464 PolarHBondContact O-N 3.09Å; Q460-L487 HydrophobicContact CG-CD1 3.96Å
461H89.9Confident90.8Very high83 Ų8367.2 Ų67.238%0.38432%0.324SS..Hα-helixtrans-71.2-40.8179.1-170.878.1000112.9K457 L458 C459 K464 R465K457-H461 WeakPolarHBondContact O-CB 3.26Å; K457-H461 PolarHBondContact O-N 3.4Å; K457-H461 VanDerWaalsContact O-N 3.12Å; L458-H461 WeakPolarHBondContact O-CB 3.35Å; L458-H461 PolarHBondContact O-N 3.47Å; C459-H461 PolarHBondContact O-N 2.86Å; H461-K464 PolarHBondContact O-N 2.82Å; H461-R465 PolarHBondContact CE1-NE 3.13Å; H461-R465 PolarHBondContact CE1-NH2 2.91Å; H461-R465 WeakPolarHBondContact NE2-CD 3.19Å; H461-R465 PolarHBondContact NE2-NE 3.21Å; H461-R465 PolarHBondContact NE2-NH1 3.45Å; H461-R465 VanDerWaalsContact NE2-NH1 3.2Å; H461-R465 PolarHBondContact NE2-NH2 2.84Å; H461-R465 WeakPolarHBondContact O-CB 3.39Å; H461-R465 WeakPolarHBondContact O-CG 3.41Å; H461-R465 PolarHBondContact O-N 3.21Å
462I90.6Very high90.9Very high34 Ų3462.6 Ų62.617%0.17429%0.292CS..Hα-helixtrans-59.2-49174.3-69.1166.3000109.8V433 A440 L458 C459 R465 G466V433-I462 HydrophobicContact CB-CD1 3.88Å; V433-I462 HydrophobicContact CG1-CD1 3.65Å; A440-I462 HydrophobicContact CB-CB 4.41Å; A440-I462 HydrophobicContact CB-CG2 3.93Å; L458-I462 HydrophobicContact CG-CD1 4.25Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.36Å; C459-I462 PolarHBondContact O-N 3Å; I462-R465 PolarHBondContact O-N 2.99Å; I462-G466 PolarHBondContact O-N 3.33Å
463I90.3Very high90.8Very high0 Ų061.2 Ų61.20%029%0.286CS..Hα-helixtrans-62.9-47.7-179.4-60155.6000111A440 I441 L444 C459 R465 G466 I467 L475 L487A440-I463 HydrophobicContact CB-CD1 4.36Å; A440-I463 HydrophobicContact CB-CG1 3.87Å; I441-I463 HydrophobicContact CB-CD1 4.42Å; I441-I463 HydrophobicContact CG1-CD1 3.49Å; I441-I463 VanDerWaalsContact CG1-CD1 3.49Å; I441-I463 HydrophobicContact CG1-CG1 3.97Å; L444-I463 HydrophobicContact CD2-CD1 4.43Å; C459-I463 WeakPolarHBondContact O-CD1 3.47Å; C459-I463 VanDerWaalsContact O-CG1 3.28Å; C459-I463 WeakPolarHBondContact O-CG1 3.22Å; C459-I463 PolarHBondContact O-N 2.78Å; I463-R465 VanDerWaalsContact C-N 3.31Å; I463-R465 PolarHBondContact O-N 2.9Å; I463-G466 PolarHBondContact O-N 3.46Å; I463-I467 PolarHBondContact O-N 3.17Å; I463-L475 HydrophobicContact CG2-CD1 4.24Å; I463-L475 HydrophobicContact CG2-CD2 4.1Å; I463-L487 HydrophobicContact CB-CD2 3.8Å; I463-L487 HydrophobicContact CD1-CD1 3.74Å; I463-L487 HydrophobicContact CD1-CD2 4.12Å; I463-L487 HydrophobicContact CG2-CD2 3.52Å
464K89.4Confident90.8Very high78 Ų7857.4 Ų57.434%0.33927%0.269SS..Hα-helixtrans-64.4-32-178.7-74.5177.4178.7-179.60113.5Q460 H461 L487 F490Q460-K464 WeakPolarHBondContact O-CB 3.47Å; Q460-K464 VanDerWaalsContact O-CG 3.24Å; Q460-K464 WeakPolarHBondContact O-CG 3.23Å; Q460-K464 PolarHBondContact O-N 3.09Å; H461-K464 PolarHBondContact O-N 2.82Å; K464-L487 HydrophobicContact CG-CD2 4.18Å; K464-F490 HydrophobicContact CB-CE1 3.99Å; K464-F490 HydrophobicContact CB-CE2 4.46Å; K464-F490 HydrophobicContact CB-CZ 3.95Å; K464-F490 HydrophobicContact CD-CD2 4.45Å; K464-F490 HydrophobicContact CG-CD1 3.84Å; K464-F490 HydrophobicContact CG-CD2 4.26Å; K464-F490 HydrophobicContact CG-CE1 3.8Å; K464-F490 HydrophobicContact CG-CE2 4.21Å; K464-F490 HydrophobicContact CG-CG 4.08Å; K464-F490 HydrophobicContact CG-CZ 3.99Å
465R90.2Very high90.8Very high195 Ų19550.3 Ų50.374%0.73624%0.242SC*.Hα-helixtrans-86.4-26.2178.2-74.5-170168.8-179.72.1113.8H461 I462 I463H461-R465 PolarHBondContact CE1-NE 3.13Å; H461-R465 PolarHBondContact CE1-NH2 2.91Å; H461-R465 WeakPolarHBondContact NE2-CD 3.19Å; H461-R465 PolarHBondContact NE2-NE 3.21Å; H461-R465 PolarHBondContact NE2-NH1 3.45Å; H461-R465 VanDerWaalsContact NE2-NH1 3.2Å; H461-R465 PolarHBondContact NE2-NH2 2.84Å; H461-R465 WeakPolarHBondContact O-CB 3.39Å; H461-R465 WeakPolarHBondContact O-CG 3.41Å; H461-R465 PolarHBondContact O-N 3.21Å; I462-R465 PolarHBondContact O-N 2.99Å; I463-R465 VanDerWaalsContact C-N 3.31Å; I463-R465 PolarHBondContact O-N 2.9Å
466G89.4Confident90.7Very high22 Ų2250.6 Ų50.623%0.22724%0.243CC..Hα-helixtrans-96.42.9-176.500000115I462 I463 T468 N471I462-G466 PolarHBondContact O-N 3.33Å; I463-G466 PolarHBondContact O-N 3.46Å; G466-T468 PolarHBondContact O-N 3.48Å; G466-N471 PolarHBondContact O-ND2 2.92Å
467I92.8Very high90.6Very high19 Ų1948.4 Ų48.410%0.09724%0.237CC..  trans-66127.6175-167.7159.2000110.5I463 N471 A472 L475 F490 C491 F494I463-I467 PolarHBondContact O-N 3.17Å; I467-N471 WeakPolarHBondContact CA-OD1 3.49Å; I467-A472 HydrophobicContact CD1-CB 3.99Å; I467-A472 HydrophobicContact CG1-CB 3.88Å; I467-L475 HydrophobicContact CB-CD1 3.99Å; I467-L475 HydrophobicContact CD1-CD1 4.34Å; I467-L475 HydrophobicContact CG1-CD1 3.95Å; I467-F490 HydrophobicContact CB-CE1 4.46Å; I467-F490 HydrophobicContact CD1-CE1 4.27Å; I467-F490 HydrophobicContact CG2-CE1 3.82Å; I467-F490 HydrophobicContact CG2-CZ 4.19Å; I467-C491 HydrophobicContact CD1-CB 4.2Å; I467-F494 HydrophobicContact CD1-CB 3.7Å; I467-F494 HydrophobicContact CD1-CD1 3.78Å; I467-F494 HydrophobicContact CD1-CD2 4.26Å; I467-F494 HydrophobicContact CD1-CE1 4.49Å; I467-F494 HydrophobicContact CD1-CG 3.64Å; I467-F494 HydrophobicContact CG1-CB 4.5Å; I467-F494 HydrophobicContact CG1-CD1 3.77Å; I467-F494 HydrophobicContact CG1-CD2 4.23Å; I467-F494 HydrophobicContact CG1-CE1 3.98Å; I467-F494 HydrophobicContact CG1-CE2 4.41Å; I467-F494 HydrophobicContact CG1-CG 3.9Å; I467-F494 HydrophobicContact CG1-CZ 4.3Å; I467-F494 HydrophobicContact CG2-CD2 3.74Å; I467-F494 HydrophobicContact CG2-CE2 3.8Å; I467-F494 HydrophobicContact CG2-CG 4.25Å; I467-F494 HydrophobicContact CG2-CZ 4.35Å
468T92.9Very high90.3Very high67 Ų6742.1 Ų42.141%0.41121%0.213SC..  trans-129.7167.9175.768.80000108.4G466 E470 N471 A472G466-T468 PolarHBondContact O-N 3.48Å; T468-E470 PolarHBondContact O-N 3.16Å; T468-E470 PolarHBondContact OG1-N 3.1Å; T468-N471 PolarHBondContact N-OD1 2.86Å; T468-N471 PolarHBondContact O-N 3.29Å; T468-N471 PolarHBondContact O-OD1 3.41Å; T468-N471 VanDerWaalsContact O-OD1 3.11Å; T468-N471 PolarHBondContact OG1-N 3.05Å; T468-N471 PolarHBondContact OG1-OD1 3.06Å; T468-A472 WeakPolarHBondContact O-CA 3.33Å; T468-A472 WeakPolarHBondContact O-CB 3.37Å; T468-A472 PolarHBondContact O-N 2.93Å
469V92Very high90.2Very high32 Ų3239.5 Ų39.519%0.19420%0.199CC..THydrogen-bonded Turntrans-56.2-40.6174.9174.90000111.2N471 H498 E501 V502 T505V469-N471 PolarHBondContact O-N 2.8Å; V469-H498 HydrophobicContact CG2-CB 4.34Å; V469-E501 HydrophobicContact CG1-CB 3.58Å; V469-E501 HydrophobicContact CG2-CB 4.46Å; V469-V502 HydrophobicContact CG1-CG2 4.05Å; V469-T505 HydrophobicContact CG1-CG2 4Å; V469-T505 WeakPolarHBondContact O-CG2 3.35Å
470E91.1Very high89.9Confident159 Ų15941.5 Ų41.574%0.74321%0.211SC*.THydrogen-bonded Turntrans-66.9-35.6-175.8-63.7-170.1168.900113.6T468T468-E470 PolarHBondContact O-N 3.16Å; T468-E470 PolarHBondContact OG1-N 3.1Å
471N91.3Very high89.6Confident13 Ų1349.1 Ų49.17%0.0724%0.238CC..THydrogen-bonded Turntrans-106.3-8.7-176.671.89.4000114.5E438 G466 I467 T468 V469 F473 S474 L475E438-N471 HydrophobicContact CG-CB 4.32Å; E438-N471 WeakPolarHBondContact OE1-CB 3.5Å; E438-N471 PolarHBondContact OE1-ND2 3.14Å; G466-N471 PolarHBondContact O-ND2 2.92Å; I467-N471 WeakPolarHBondContact CA-OD1 3.49Å; T468-N471 PolarHBondContact N-OD1 2.86Å; T468-N471 PolarHBondContact O-N 3.29Å; T468-N471 PolarHBondContact O-OD1 3.41Å; T468-N471 VanDerWaalsContact O-OD1 3.11Å; T468-N471 PolarHBondContact OG1-N 3.05Å; T468-N471 PolarHBondContact OG1-OD1 3.06Å; V469-N471 PolarHBondContact O-N 2.8Å; N471-F473 VanDerWaalsContact C-N 3.27Å; N471-F473 PolarHBondContact O-N 2.72Å; N471-F473 VanDerWaalsContact O-N 3.16Å; N471-S474 WeakPolarHBondContact O-CB 3.42Å; N471-S474 PolarHBondContact O-N 3.12Å; N471-L475 HydrophobicContact CB-CD1 4.48Å; N471-L475 WeakPolarHBondContact O-CG 3.16Å; N471-L475 PolarHBondContact O-N 2.89Å; N471-L475 WeakPolarHBondContact OD1-CD1 3.26Å
472A91.6Very high89.1Confident0 Ų048.9 Ų48.90%024%0.235CC..Hα-helixtrans-53.8-42.1-173.400000113.4I467 T468 L475 F476 F494 V502I467-A472 HydrophobicContact CD1-CB 3.99Å; I467-A472 HydrophobicContact CG1-CB 3.88Å; T468-A472 WeakPolarHBondContact O-CA 3.33Å; T468-A472 WeakPolarHBondContact O-CB 3.37Å; T468-A472 PolarHBondContact O-N 2.93Å; A472-L475 PolarHBondContact O-N 2.88Å; A472-F476 WeakPolarHBondContact O-CB 3.46Å; A472-F476 PolarHBondContact O-N 2.91Å; A472-F494 HydrophobicContact CB-CD1 3.6Å; A472-F494 HydrophobicContact CB-CE1 3.85Å; A472-V502 HydrophobicContact CB-CG2 4.36Å
473F90.2Very high88.7Confident0 Ų053.6 Ų53.60%026%0.26CS..Hα-helixtrans-75.3-34.7-178.7-154.9-97000112.5N471 F476 S477 V502 F508 M511 L515 L516 F519N471-F473 VanDerWaalsContact C-N 3.27Å; N471-F473 PolarHBondContact O-N 2.72Å; N471-F473 VanDerWaalsContact O-N 3.16Å; F473-F476 HydrophobicContact CE2-CD1 4.3Å; F473-F476 PolarHBondContact O-N 3.05Å; F473-S477 WeakPolarHBondContact O-CB 3.46Å; F473-S477 PolarHBondContact O-N 2.89Å; F473-V502 HydrophobicContact CB-CG1 4.16Å; F473-V502 HydrophobicContact CD2-CG1 4.27Å; F473-F508 HydrophobicContact CD1-CD2 4.21Å; F473-F508 AromaticContact CD2-CD2 3.53Å; F473-F508 HydrophobicContact CD2-CD2 3.53Å; F473-F508 HydrophobicContact CD2-CE2 4.02Å; F473-F508 HydrophobicContact CE1-CD2 4.23Å; F473-F508 AromaticContact CE2-CD2 3.54Å; F473-F508 HydrophobicContact CE2-CD2 3.54Å; F473-F508 AromaticContact CE2-CE2 3.6Å; F473-F508 HydrophobicContact CE2-CE2 3.6Å; F473-F508 HydrophobicContact CG-CB 4.46Å; F473-F508 AromaticContact CG-CD2 3.87Å; F473-F508 HydrophobicContact CG-CD2 3.87Å; F473-F508 AromaticContact CZ-CD2 3.9Å; F473-F508 HydrophobicContact CZ-CD2 3.9Å; F473-F508 AromaticContact CZ-CE2 3.98Å; F473-F508 HydrophobicContact CZ-CE2 3.98Å; F473-M511 HydrophobicContact CD1-CB 4.4Å; F473-M511 HydrophobicContact CD1-CG 3.83Å; F473-M511 HydrophobicContact CE1-CB 3.92Å; F473-M511 HydrophobicContact CE1-CG 3.83Å; F473-L515 HydrophobicContact CE1-CD2 4.49Å; F473-L516 HydrophobicContact CZ-CD1 3.96Å; F473-F519 HydrophobicContact CD2-CE2 4.43Å; F473-F519 HydrophobicContact CE2-CB 4.29Å; F473-F519 AromaticContact CE2-CD1 3.8Å; F473-F519 HydrophobicContact CE2-CD1 3.8Å; F473-F519 AromaticContact CE2-CD2 3.73Å; F473-F519 HydrophobicContact CE2-CD2 3.73Å; F473-F519 HydrophobicContact CE2-CE1 4.02Å; F473-F519 AromaticContact CE2-CE2 3.96Å; F473-F519 HydrophobicContact CE2-CE2 3.96Å; F473-F519 AromaticContact CE2-CG 3.65Å; F473-F519 HydrophobicContact CE2-CG 3.65Å; F473-F519 HydrophobicContact CE2-CZ 4.1Å; F473-F519 HydrophobicContact CZ-CB 4.3Å; F473-F519 HydrophobicContact CZ-CD1 4.4Å; F473-F519 HydrophobicContact CZ-CD2 4.5Å; F473-F519 HydrophobicContact CZ-CG 4.14Å
474S89.3Confident88.3Confident38 Ų3854.4 Ų54.427%0.26627%0.267SS..Hα-helixtrans-62.4-43.4171.4-580000111.2N471 S477 A478 A507N471-S474 WeakPolarHBondContact O-CB 3.42Å; N471-S474 PolarHBondContact O-N 3.12Å; S474-S477 PolarHBondContact O-N 2.9Å; S474-A478 WeakPolarHBondContact O-CB 3.31Å; S474-A478 PolarHBondContact O-N 2.87Å; S474-A507 WeakPolarHBondContact OG-CB 3.06Å
475L90.2Very high88.2Confident0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-66-41176.4-66.7174.8000112P437 E438 I441 I463 I467 N471 A472 A478 A479P437-L475 HydrophobicContact CB-CD1 4.25Å; P437-L475 HydrophobicContact CB-CD2 4.05Å; P437-L475 VanDerWaalsContact O-CD2 3.31Å; P437-L475 WeakPolarHBondContact O-CD2 3.31Å; E438-L475 HydrophobicContact CG-CD2 4.41Å; I441-L475 HydrophobicContact CD1-CB 4.32Å; I441-L475 HydrophobicContact CD1-CD2 3.65Å; I441-L475 WeakPolarHBondContact CD1-O 3.32Å; I441-L475 HydrophobicContact CG1-CD2 4.4Å; I463-L475 HydrophobicContact CG2-CD1 4.24Å; I463-L475 HydrophobicContact CG2-CD2 4.1Å; I467-L475 HydrophobicContact CB-CD1 3.99Å; I467-L475 HydrophobicContact CD1-CD1 4.34Å; I467-L475 HydrophobicContact CG1-CD1 3.95Å; N471-L475 HydrophobicContact CB-CD1 4.48Å; N471-L475 WeakPolarHBondContact O-CG 3.16Å; N471-L475 PolarHBondContact O-N 2.89Å; N471-L475 WeakPolarHBondContact OD1-CD1 3.26Å; A472-L475 PolarHBondContact O-N 2.88Å; L475-A478 PolarHBondContact O-N 2.8Å; L475-A479 VanDerWaalsContact O-CB 3.32Å; L475-A479 WeakPolarHBondContact O-CB 3.38Å; L475-A479 PolarHBondContact O-N 2.85Å
476F90.9Very high88Confident6 Ų653.2 Ų53.23%0.02627%0.274CS..Hα-helixtrans-59.9-50.5172.7172.1-102.1000111.3A472 F473 A478 A479 V480 E488 C491 F492 L515 F519A472-F476 WeakPolarHBondContact O-CB 3.46Å; A472-F476 PolarHBondContact O-N 2.91Å; F473-F476 HydrophobicContact CE2-CD1 4.3Å; F473-F476 PolarHBondContact O-N 3.05Å; F476-A478 VanDerWaalsContact C-N 3.33Å; F476-A478 PolarHBondContact O-N 2.91Å; F476-A479 PolarHBondContact O-N 3.15Å; F476-V480 HydrophobicContact CE1-CG2 4.19Å; F476-V480 HydrophobicContact CE2-CG2 4.09Å; F476-V480 HydrophobicContact CZ-CG2 3.88Å; F476-V480 WeakPolarHBondContact O-CG2 3.47Å; F476-V480 PolarHBondContact O-N 3.01Å; F476-E488 HydrophobicContact CD2-CG 4.06Å; F476-E488 HydrophobicContact CE2-CG 3.59Å; F476-E488 HydrophobicContact CZ-CG 4.46Å; F476-C491 HydrophobicContact CB-CB 3.81Å; F476-C491 HydrophobicContact CD2-CB 4.36Å; F476-F492 HydrophobicContact CD2-CB 3.94Å; F476-F492 HydrophobicContact CE2-CB 3.8Å; F476-F492 HydrophobicContact CE2-CD2 4.05Å; F476-F492 HydrophobicContact CE2-CG 4.38Å; F476-F492 HydrophobicContact CZ-CD2 4.38Å; F476-L515 HydrophobicContact CD1-CD2 4.35Å; F476-L515 HydrophobicContact CE1-CD2 4.2Å; F476-L515 HydrophobicContact CE1-CG 4.44Å; F476-F519 HydrophobicContact CD1-CD2 4.08Å; F476-F519 HydrophobicContact CE1-CB 4.16Å; F476-F519 AromaticContact CE1-CD2 3.7Å; F476-F519 HydrophobicContact CE1-CD2 3.7Å; F476-F519 HydrophobicContact CE1-CG 4.37Å; F476-F519 AromaticContact CZ-CD2 3.95Å; F476-F519 HydrophobicContact CZ-CD2 3.95Å
477S87.9Confident87.9Confident25 Ų2552.2 Ų52.218%0.17526%0.264CS..Hα-helixtrans-59.2-43.8179176.20000112.3F473 S474 V480 R481F473-S477 WeakPolarHBondContact O-CB 3.46Å; F473-S477 PolarHBondContact O-N 2.89Å; S474-S477 PolarHBondContact O-N 2.9Å; S477-V480 PolarHBondContact O-N 2.85Å; S477-R481 WeakPolarHBondContact O-CB 3.21Å; S477-R481 PolarHBondContact O-N 2.82Å
478A85.2Confident87.8Confident19 Ų1952.9 Ų52.916%0.15727%0.267CS..Hα-helixtrans-66.4-40.2176.500000111.6I441 S474 L475 F476 V480 R481 Y482I441-A478 HydrophobicContact CB-CB 4.25Å; I441-A478 HydrophobicContact CD1-CB 3.34Å; I441-A478 HydrophobicContact CG1-CB 4.36Å; I441-A478 HydrophobicContact CG2-CB 4.05Å; S474-A478 WeakPolarHBondContact O-CB 3.31Å; S474-A478 PolarHBondContact O-N 2.87Å; L475-A478 PolarHBondContact O-N 2.8Å; F476-A478 VanDerWaalsContact C-N 3.33Å; F476-A478 PolarHBondContact O-N 2.91Å; A478-V480 VanDerWaalsContact C-N 3.3Å; A478-V480 PolarHBondContact O-N 2.97Å; A478-R481 PolarHBondContact O-N 3.31Å; A478-R481 VanDerWaalsContact O-N 3.13Å; A478-Y482 VanDerWaalsContact O-CD2 3.22Å; A478-Y482 WeakPolarHBondContact O-CD2 3.37Å; A478-Y482 PolarHBondContact O-N 2.91Å
479A87.4Confident87.7Confident0 Ų056.2 Ų56.20%028%0.277CS..Hα-helixtrans-59.7-39.7175.500000112.5L475 F476 D483 A484 L487 E488L475-A479 VanDerWaalsContact O-CB 3.32Å; L475-A479 WeakPolarHBondContact O-CB 3.38Å; L475-A479 PolarHBondContact O-N 2.85Å; F476-A479 PolarHBondContact O-N 3.15Å; A479-D483 PolarHBondContact O-N 2.86Å; A479-A484 PolarHBondContact O-N 2.95Å; A479-L487 HydrophobicContact CB-CB 4.01Å; A479-E488 HydrophobicContact CB-CB 4.16Å
480V86.6Confident87.7Confident42 Ų4258.1 Ų58.126%0.25528%0.283SS..Hα-helixtrans-65.7-45.4172.9179.50000111.1F476 S477 A478 Y482 D483 E488 L515F476-V480 HydrophobicContact CE1-CG2 4.19Å; F476-V480 HydrophobicContact CE2-CG2 4.09Å; F476-V480 HydrophobicContact CZ-CG2 3.88Å; F476-V480 WeakPolarHBondContact O-CG2 3.47Å; F476-V480 PolarHBondContact O-N 3.01Å; S477-V480 PolarHBondContact O-N 2.85Å; A478-V480 VanDerWaalsContact C-N 3.3Å; A478-V480 PolarHBondContact O-N 2.97Å; V480-Y482 PolarHBondContact O-N 3.29Å; V480-D483 PolarHBondContact O-N 2.87Å; V480-E488 HydrophobicContact CG2-CG 3.72Å; V480-L515 HydrophobicContact CB-CD1 3.88Å; V480-L515 HydrophobicContact CG1-CD1 3.69Å; V480-L515 HydrophobicContact CG2-CD1 4.13Å
481R83.3Confident87.8Confident199 Ų19950.5 Ų50.575%0.75125%0.248SC*.Hα-helixtrans-59.5-34.8-178.5179.8176.7175169.2-1.1113.1S477 A478S477-R481 WeakPolarHBondContact O-CB 3.21Å; S477-R481 PolarHBondContact O-N 2.82Å; A478-R481 PolarHBondContact O-N 3.31Å; A478-R481 VanDerWaalsContact O-N 3.13Å
482Y78.2Confident87.9Confident79 Ų7950.6 Ų50.631%0.3125%0.247SC..THydrogen-bonded Turntrans-102.115.1-178.5-67.2-76.7000113.4I441 D445 A478 V480 A484I441-Y482 HydrophobicContact CB-CD2 4.46Å; I441-Y482 HydrophobicContact CG2-CD2 3.34Å; I441-Y482 HydrophobicContact CG2-CE2 3.93Å; I441-Y482 HydrophobicContact CG2-CG 4.04Å; D445-Y482 HydrophobicContact CB-CD1 3.43Å; D445-Y482 VanDerWaalsContact CB-CD1 3.43Å; D445-Y482 HydrophobicContact CB-CE1 3.78Å; D445-Y482 HydrophobicContact CB-CG 4.15Å; D445-Y482 VanDerWaalsContact CG-CD1 3.4Å; D445-Y482 WeakPolarHBondContact OD2-CD1 3.44Å; D445-Y482 WeakPolarHBondContact OD2-CE1 3.22Å; A478-Y482 VanDerWaalsContact O-CD2 3.22Å; A478-Y482 WeakPolarHBondContact O-CD2 3.37Å; A478-Y482 PolarHBondContact O-N 2.91Å; V480-Y482 PolarHBondContact O-N 3.29Å; Y482-A484 VanDerWaalsContact C-N 3.26Å; Y482-A484 PolarHBondContact O-N 3.22Å
483D81.9Confident87.9Confident132 Ų13257.1 Ų57.171%0.70628%0.276SS*.THydrogen-bonded Turntrans53.440.2176-158.331.6000113.6A479 V480 E485A479-D483 PolarHBondContact O-N 2.86Å; V480-D483 PolarHBondContact O-N 2.87Å; D483-E485 PolarHBondContact O-N 2.84Å
484A83.5Confident88.1Confident17 Ų1759.1 Ų59.114%0.1429%0.285CS..  trans-9773.3-17700000111.3L444 A479 Y482 D486 L487 E488L444-A484 HydrophobicContact CD2-CB 4.2Å; A479-A484 PolarHBondContact O-N 2.95Å; Y482-A484 VanDerWaalsContact C-N 3.26Å; Y482-A484 PolarHBondContact O-N 3.22Å; A484-D486 PolarHBondContact O-N 2.86Å; A484-L487 HydrophobicContact CB-CB 4.15Å; A484-L487 HydrophobicContact CB-CD1 4.23Å; A484-L487 WeakPolarHBondContact O-CB 3.25Å; A484-L487 PolarHBondContact O-N 2.9Å; A484-E488 PolarHBondContact O-N 3.07Å
485E85.8Confident88.3Confident143 Ų14357.3 Ų57.367%0.66827%0.272SS*.Hα-helixtrans-46.9-50.3-172.4-64.4-175.2166.900114.2D483 L487 E488 E489D483-E485 PolarHBondContact O-N 2.84Å; E485-L487 PolarHBondContact O-N 3.4Å; E485-E488 WeakPolarHBondContact O-CB 3.48Å; E485-E488 PolarHBondContact O-N 2.72Å; E485-E489 PolarHBondContact O-N 3.34Å
486D85.9Confident88.4Confident105 Ų10558.9 Ų58.956%0.56128%0.28SS*.Hα-helixtrans-59.6-34.5-179.8-75.5-22.7000113.3A484 F490A484-D486 PolarHBondContact O-N 2.86Å; D486-F490 WeakPolarHBondContact O-CB 3.05Å; D486-F490 PolarHBondContact O-N 3.42Å
487L87.7Confident88.4Confident2 Ų264 Ų641%0.0131%0.308CS..Hα-helixtrans-83.7-36.3179.6-86.1159.3000111L444 Q460 I463 K464 A479 A484 E485 F490 C491L444-L487 HydrophobicContact CD2-CD1 3.22Å; Q460-L487 HydrophobicContact CG-CD1 3.96Å; I463-L487 HydrophobicContact CB-CD2 3.8Å; I463-L487 HydrophobicContact CD1-CD1 3.74Å; I463-L487 HydrophobicContact CD1-CD2 4.12Å; I463-L487 HydrophobicContact CG2-CD2 3.52Å; K464-L487 HydrophobicContact CG-CD2 4.18Å; A479-L487 HydrophobicContact CB-CB 4.01Å; A484-L487 HydrophobicContact CB-CB 4.15Å; A484-L487 HydrophobicContact CB-CD1 4.23Å; A484-L487 WeakPolarHBondContact O-CB 3.25Å; A484-L487 PolarHBondContact O-N 2.9Å; E485-L487 PolarHBondContact O-N 3.4Å; L487-F490 PolarHBondContact O-N 3.32Å; L487-C491 WeakPolarHBondContact O-CB 3.34Å; L487-C491 PolarHBondContact O-N 3.21Å; L487-C491 PolarHBondContact O-SG 2.93Å
488E90.8Very high88.6Confident33 Ų3366.2 Ų66.215%0.15432%0.315CS..Hα-helixtrans-57.8-51.3173.5-173.3-158.113700110F476 A479 V480 A484 E485 F490 C491 F492 K522F476-E488 HydrophobicContact CD2-CG 4.06Å; F476-E488 HydrophobicContact CE2-CG 3.59Å; F476-E488 HydrophobicContact CZ-CG 4.46Å; A479-E488 HydrophobicContact CB-CB 4.16Å; V480-E488 HydrophobicContact CG2-CG 3.72Å; A484-E488 PolarHBondContact O-N 3.07Å; E485-E488 WeakPolarHBondContact O-CB 3.48Å; E485-E488 PolarHBondContact O-N 2.72Å; E488-F490 VanDerWaalsContact C-N 3.32Å; E488-F490 PolarHBondContact O-N 2.88Å; E488-C491 PolarHBondContact O-N 3.28Å; E488-F492 WeakPolarHBondContact O-CB 3.48Å; E488-F492 PolarHBondContact O-N 3.13Å; E488-K522 IonicContact OE1-NZ 2.72Å; E488-K522 PolarHBondContact OE1-NZ 3.42Å
489E91.3Very high88.8Confident136 Ų13666.4 Ų66.464%0.63631%0.313SS*.Hα-helixtrans-61.3-42.5179.8-171.3-179.8-179.900111.6E485 K493E485-E489 PolarHBondContact O-N 3.34Å; E489-K493 WeakPolarHBondContact O-CB 3.48Å; E489-K493 PolarHBondContact O-N 3.39Å
490F92.4Very high88.8Confident72 Ų7271.4 Ų71.432%0.31634%0.344SS..Hα-helixtrans-63-50.5177.4177.3-91.8000112.3K464 I467 D486 L487 E488 F492 K493 F494K464-F490 HydrophobicContact CB-CE1 3.99Å; K464-F490 HydrophobicContact CB-CE2 4.46Å; K464-F490 HydrophobicContact CB-CZ 3.95Å; K464-F490 HydrophobicContact CD-CD2 4.45Å; K464-F490 HydrophobicContact CG-CD1 3.84Å; K464-F490 HydrophobicContact CG-CD2 4.26Å; K464-F490 HydrophobicContact CG-CE1 3.8Å; K464-F490 HydrophobicContact CG-CE2 4.21Å; K464-F490 HydrophobicContact CG-CG 4.08Å; K464-F490 HydrophobicContact CG-CZ 3.99Å; I467-F490 HydrophobicContact CB-CE1 4.46Å; I467-F490 HydrophobicContact CD1-CE1 4.27Å; I467-F490 HydrophobicContact CG2-CE1 3.82Å; I467-F490 HydrophobicContact CG2-CZ 4.19Å; D486-F490 WeakPolarHBondContact O-CB 3.05Å; D486-F490 PolarHBondContact O-N 3.42Å; L487-F490 PolarHBondContact O-N 3.32Å; E488-F490 VanDerWaalsContact C-N 3.32Å; E488-F490 PolarHBondContact O-N 2.88Å; F490-F492 VanDerWaalsContact C-N 3.34Å; F490-F492 PolarHBondContact O-N 2.96Å; F490-K493 PolarHBondContact O-N 2.82Å; F490-F494 PolarHBondContact O-N 2.98Å
491C92.3Very high89Confident0 Ų074.7 Ų74.70%036%0.356CS..Hα-helixtrans-65.7-39.3-179.5-63.20000110.9I467 F476 L487 E488 F494 C495I467-C491 HydrophobicContact CD1-CB 4.2Å; F476-C491 HydrophobicContact CB-CB 3.81Å; F476-C491 HydrophobicContact CD2-CB 4.36Å; L487-C491 WeakPolarHBondContact O-CB 3.34Å; L487-C491 PolarHBondContact O-N 3.21Å; L487-C491 PolarHBondContact O-SG 2.93Å; E488-C491 PolarHBondContact O-N 3.28Å; C491-F494 PolarHBondContact O-N 2.84Å; C491-C495 WeakPolarHBondContact O-CB 3.4Å; C491-C495 PolarHBondContact O-N 2.75Å; C491-C495 PolarHBondContact O-SG 2.86Å
492F93.8Very high89.4Confident14 Ų1465.2 Ų65.26%0.06132%0.321CS..Hα-helixtrans-58.6-50174.2178.1-100.8000111.1F476 E488 F490 F494 C495 I496 F519 K522F476-F492 HydrophobicContact CD2-CB 3.94Å; F476-F492 HydrophobicContact CE2-CB 3.8Å; F476-F492 HydrophobicContact CE2-CD2 4.05Å; F476-F492 HydrophobicContact CE2-CG 4.38Å; F476-F492 HydrophobicContact CZ-CD2 4.38Å; E488-F492 WeakPolarHBondContact O-CB 3.48Å; E488-F492 PolarHBondContact O-N 3.13Å; F490-F492 VanDerWaalsContact C-N 3.34Å; F490-F492 PolarHBondContact O-N 2.96Å; F492-F494 VanDerWaalsContact C-N 3.31Å; F492-F494 PolarHBondContact O-N 3.4Å; F492-C495 WeakPolarHBondContact O-CB 3.27Å; F492-C495 PolarHBondContact O-N 3.19Å; F492-C495 VanDerWaalsContact O-N 3.14Å; F492-I496 HydrophobicContact CD1-CG1 4.24Å; F492-I496 HydrophobicContact CD2-CG1 4.49Å; F492-I496 HydrophobicContact CE1-CD1 4.41Å; F492-I496 HydrophobicContact CE1-CG1 3.76Å; F492-I496 HydrophobicContact CE2-CD1 4.01Å; F492-I496 HydrophobicContact CE2-CG1 4.04Å; F492-I496 HydrophobicContact CZ-CD1 3.79Å; F492-I496 HydrophobicContact CZ-CG1 3.64Å; F492-I496 WeakPolarHBondContact O-CG1 3.3Å; F492-I496 PolarHBondContact O-N 3.46Å; F492-F519 AromaticContact CD2-CD2 3.72Å; F492-F519 HydrophobicContact CD2-CD2 3.72Å; F492-F519 AromaticContact CD2-CE2 3.6Å; F492-F519 HydrophobicContact CD2-CE2 3.6Å; F492-F519 AromaticContact CE2-CD2 3.86Å; F492-F519 HydrophobicContact CE2-CD2 3.86Å; F492-F519 AromaticContact CE2-CE2 3.79Å; F492-F519 HydrophobicContact CE2-CE2 3.79Å; F492-K522 HydrophobicContact CD2-CD 4.05Å; F492-K522 HydrophobicContact CD2-CG 4.44Å; F492-K522 HydrophobicContact CE1-CD 4.34Å; F492-K522 HydrophobicContact CE1-CG 4.06Å; F492-K522 HydrophobicContact CE2-CB 3.77Å; F492-K522 HydrophobicContact CE2-CD 3.84Å; F492-K522 HydrophobicContact CE2-CG 3.75Å; F492-K522 HydrophobicContact CG-CD 4.4Å; F492-K522 HydrophobicContact CZ-CB 3.83Å; F492-K522 HydrophobicContact CZ-CD 4.01Å; F492-K522 HydrophobicContact CZ-CG 3.53Å
493K92.6Very high89.9Confident137 Ų13763.3 Ų63.360%0.59632%0.318SS*.Hα-helixtrans-60.7-40.7179-171.5174.1-175.8174.30112.2E489 F490 I496 N497E489-K493 WeakPolarHBondContact O-CB 3.48Å; E489-K493 PolarHBondContact O-N 3.39Å; F490-K493 PolarHBondContact O-N 2.82Å; K493-I496 PolarHBondContact O-N 3.12Å; K493-N497 VanDerWaalsContact O-CG 3.28Å; K493-N497 PolarHBondContact O-N 3.1Å; K493-N497 VanDerWaalsContact O-N 3.09Å; K493-N497 PolarHBondContact O-ND2 2.99Å
494F93.4Very high90.3Very high43 Ų4364 Ų6419%0.18932%0.316CS..Hα-helixtrans-61.3-48.1173.6-172.3-82.1000111.2I467 A472 F490 C491 F492 I496 N497 H498I467-F494 HydrophobicContact CD1-CB 3.7Å; I467-F494 HydrophobicContact CD1-CD1 3.78Å; I467-F494 HydrophobicContact CD1-CD2 4.26Å; I467-F494 HydrophobicContact CD1-CE1 4.49Å; I467-F494 HydrophobicContact CD1-CG 3.64Å; I467-F494 HydrophobicContact CG1-CB 4.5Å; I467-F494 HydrophobicContact CG1-CD1 3.77Å; I467-F494 HydrophobicContact CG1-CD2 4.23Å; I467-F494 HydrophobicContact CG1-CE1 3.98Å; I467-F494 HydrophobicContact CG1-CE2 4.41Å; I467-F494 HydrophobicContact CG1-CG 3.9Å; I467-F494 HydrophobicContact CG1-CZ 4.3Å; I467-F494 HydrophobicContact CG2-CD2 3.74Å; I467-F494 HydrophobicContact CG2-CE2 3.8Å; I467-F494 HydrophobicContact CG2-CG 4.25Å; I467-F494 HydrophobicContact CG2-CZ 4.35Å; A472-F494 HydrophobicContact CB-CD1 3.6Å; A472-F494 HydrophobicContact CB-CE1 3.85Å; F490-F494 PolarHBondContact O-N 2.98Å; C491-F494 PolarHBondContact O-N 2.84Å; F492-F494 VanDerWaalsContact C-N 3.31Å; F492-F494 PolarHBondContact O-N 3.4Å; F494-I496 VanDerWaalsContact C-N 3.29Å; F494-I496 PolarHBondContact O-N 3.01Å; F494-N497 PolarHBondContact O-N 2.84Å; F494-H498 AromaticContact CE1-CD2 3.78Å; F494-H498 AromaticContact CE2-CD2 3.95Å; F494-H498 AromaticContact CZ-CD2 3.75Å; F494-H498 PolarHBondContact O-CD2 3.18Å; F494-H498 PolarHBondContact O-N 3.29Å; F494-H498 VanDerWaalsContact O-N 3.13Å
495C93.2Very high90.7Very high0 Ų064 Ų640%032%0.315CS..Hα-helixtrans-58.5-39.6178.2-68.30000112.4C491 F492 H498 L499 V502 F519C491-C495 WeakPolarHBondContact O-CB 3.4Å; C491-C495 PolarHBondContact O-N 2.75Å; C491-C495 PolarHBondContact O-SG 2.86Å; F492-C495 WeakPolarHBondContact O-CB 3.27Å; F492-C495 PolarHBondContact O-N 3.19Å; F492-C495 VanDerWaalsContact O-N 3.14Å; C495-H498 CarbonylContact O-C 3.3Å; C495-H498 PolarHBondContact O-N 3.31Å; C495-L499 WeakPolarHBondContact O-CA 3.33Å; C495-L499 PolarHBondContact O-N 2.9Å; C495-V502 HydrophobicContact CB-CG1 4.46Å; C495-F519 HydrophobicContact CB-CE2 3.73Å; C495-F519 HydrophobicContact CB-CZ 3.72Å
496I93Very high90.7Very high33 Ų3360.2 Ų60.217%0.16931%0.308CS..Hα-helixtrans-67.7-43.5177.5-65.4-58.4000111.9F492 K493 F494 H498 L499 F519 A523 A528F492-I496 HydrophobicContact CD1-CG1 4.24Å; F492-I496 HydrophobicContact CD2-CG1 4.49Å; F492-I496 HydrophobicContact CE1-CD1 4.41Å; F492-I496 HydrophobicContact CE1-CG1 3.76Å; F492-I496 HydrophobicContact CE2-CD1 4.01Å; F492-I496 HydrophobicContact CE2-CG1 4.04Å; F492-I496 HydrophobicContact CZ-CD1 3.79Å; F492-I496 HydrophobicContact CZ-CG1 3.64Å; F492-I496 WeakPolarHBondContact O-CG1 3.3Å; F492-I496 PolarHBondContact O-N 3.46Å; K493-I496 PolarHBondContact O-N 3.12Å; F494-I496 VanDerWaalsContact C-N 3.29Å; F494-I496 PolarHBondContact O-N 3.01Å; I496-H498 PolarHBondContact O-N 3.14Å; I496-L499 WeakPolarHBondContact O-CB 3.25Å; I496-L499 PolarHBondContact O-N 2.97Å; I496-F519 HydrophobicContact CD1-CZ 4.11Å; I496-A523 HydrophobicContact CD1-CB 3.4Å; I496-A523 VanDerWaalsContact CD1-CB 3.4Å; I496-A528 HydrophobicContact CD1-CB 3.88Å; I496-A528 HydrophobicContact CG2-CB 3.95Å
497N90.4Very high90.7Very high114 Ų11455.8 Ų55.861%0.6129%0.286SS*.Hα-helixtrans-64.1-27.4179.2-70.4-13.9000112.7K493 F494K493-N497 VanDerWaalsContact O-CG 3.28Å; K493-N497 PolarHBondContact O-N 3.1Å; K493-N497 VanDerWaalsContact O-N 3.09Å; K493-N497 PolarHBondContact O-ND2 2.99Å; F494-N497 PolarHBondContact O-N 2.84Å
498H91.3Very high90.7Very high71 Ų7156.4 Ų56.433%0.32929%0.289SS..THydrogen-bonded Turntrans-11524.5-178.8-62.5-79.6000112.8V469 F494 C495 I496 T500 E501 V502V469-H498 HydrophobicContact CG2-CB 4.34Å; F494-H498 AromaticContact CE1-CD2 3.78Å; F494-H498 AromaticContact CE2-CD2 3.95Å; F494-H498 AromaticContact CZ-CD2 3.75Å; F494-H498 PolarHBondContact O-CD2 3.18Å; F494-H498 PolarHBondContact O-N 3.29Å; F494-H498 VanDerWaalsContact O-N 3.13Å; C495-H498 CarbonylContact O-C 3.3Å; C495-H498 PolarHBondContact O-N 3.31Å; I496-H498 PolarHBondContact O-N 3.14Å; H498-T500 VanDerWaalsContact C-N 3.31Å; H498-T500 PolarHBondContact O-N 2.92Å; H498-T500 VanDerWaalsContact O-N 3.15Å; H498-E501 PolarHBondContact O-N 3.03Å; H498-V502 HydrophobicContact CB-CG2 3.98Å; H498-V502 WeakPolarHBondContact O-CG2 3.37Å; H498-V502 PolarHBondContact O-N 2.93Å
499L90.5Very high90.3Very high22 Ų2263.6 Ų63.612%0.11531%0.314CS..Hα-helixtrans-54.2-42.2-166.2-174.165.7000113.9C495 I496 E501 V502 T503 F519 A528 F529C495-L499 WeakPolarHBondContact O-CA 3.33Å; C495-L499 PolarHBondContact O-N 2.9Å; I496-L499 WeakPolarHBondContact O-CB 3.25Å; I496-L499 PolarHBondContact O-N 2.97Å; L499-E501 VanDerWaalsContact C-N 3.29Å; L499-E501 PolarHBondContact O-N 2.82Å; L499-V502 PolarHBondContact O-N 2.98Å; L499-T503 HydrophobicContact CD1-CG2 3.89Å; L499-T503 HydrophobicContact CG-CG2 4.2Å; L499-T503 WeakPolarHBondContact O-CB 3.44Å; L499-T503 WeakPolarHBondContact O-CG2 3.47Å; L499-T503 PolarHBondContact O-N 2.91Å; L499-T503 PolarHBondContact O-OG1 2.9Å; L499-F519 HydrophobicContact CD1-CE1 3.91Å; L499-F519 HydrophobicContact CD1-CZ 4.13Å; L499-A528 HydrophobicContact CD2-CB 3.97Å; L499-F529 HydrophobicContact CD2-CD1 4.29Å; L499-F529 HydrophobicContact CD2-CE1 3.81Å; L499-F529 HydrophobicContact CD2-CZ 4.33Å
500T87.8Confident89.9Confident105 Ų10564.7 Ų64.764%0.64432%0.319SS*.Hα-helixtrans-59.9-39180-52.70000112.6H498 T503 Q504H498-T500 VanDerWaalsContact C-N 3.31Å; H498-T500 PolarHBondContact O-N 2.92Å; H498-T500 VanDerWaalsContact O-N 3.15Å; T500-T503 PolarHBondContact O-OG1 3.02Å; T500-T503 VanDerWaalsContact O-OG1 3.11Å; T500-Q504 WeakPolarHBondContact O-CG 3.17Å; T500-Q504 PolarHBondContact O-NE2 3.04Å
501E90.5Very high89.2Confident111 Ų11164.2 Ų64.252%0.51932%0.319SS..Hα-helixtrans-84-41.7-178.9-58.8177.2-160.500110.7V469 H498 L499 T503 Q504V469-E501 HydrophobicContact CG1-CB 3.58Å; V469-E501 HydrophobicContact CG2-CB 4.46Å; H498-E501 PolarHBondContact O-N 3.03Å; L499-E501 VanDerWaalsContact C-N 3.29Å; L499-E501 PolarHBondContact O-N 2.82Å; E501-T503 VanDerWaalsContact C-N 3.31Å; E501-T503 PolarHBondContact O-N 2.97Å; E501-Q504 WeakPolarHBondContact O-CB 3.25Å; E501-Q504 PolarHBondContact O-N 3.43Å
502V90.9Very high88.4Confident0 Ų069.7 Ų69.70%035%0.348CS..Hα-helixtrans-60.4-40.7178.9172.30000111.4V469 A472 F473 C495 H498 L499 Q504 T505 F508V469-V502 HydrophobicContact CG1-CG2 4.05Å; A472-V502 HydrophobicContact CB-CG2 4.36Å; F473-V502 HydrophobicContact CB-CG1 4.16Å; F473-V502 HydrophobicContact CD2-CG1 4.27Å; C495-V502 HydrophobicContact CB-CG1 4.46Å; H498-V502 HydrophobicContact CB-CG2 3.98Å; H498-V502 WeakPolarHBondContact O-CG2 3.37Å; H498-V502 PolarHBondContact O-N 2.93Å; L499-V502 PolarHBondContact O-N 2.98Å; V502-Q504 PolarHBondContact O-N 3.14Å; V502-Q504 VanDerWaalsContact O-N 3.15Å; V502-T505 WeakPolarHBondContact O-CB 3.26Å; V502-T505 PolarHBondContact O-N 3.34Å; V502-T505 VanDerWaalsContact O-N 3.08Å; V502-T505 PolarHBondContact O-OG1 2.97Å; V502-F508 HydrophobicContact CG1-CD2 4.33Å; V502-F508 WeakPolarHBondContact O-CB 3.18Å
503T88.9Confident87.7Confident40 Ų4070.7 Ų70.725%0.24536%0.363CS..THydrogen-bonded Turntrans-66-11.7176.852.40000114.2L499 T500 E501 F508 W509L499-T503 HydrophobicContact CD1-CG2 3.89Å; L499-T503 HydrophobicContact CG-CG2 4.2Å; L499-T503 WeakPolarHBondContact O-CB 3.44Å; L499-T503 WeakPolarHBondContact O-CG2 3.47Å; L499-T503 PolarHBondContact O-N 2.91Å; L499-T503 PolarHBondContact O-OG1 2.9Å; T500-T503 PolarHBondContact O-OG1 3.02Å; T500-T503 VanDerWaalsContact O-OG1 3.11Å; E501-T503 VanDerWaalsContact C-N 3.31Å; E501-T503 PolarHBondContact O-N 2.97Å; T503-F508 HydrophobicContact CG2-CD1 4.42Å; T503-F508 HydrophobicContact CG2-CD2 4.41Å; T503-F508 HydrophobicContact CG2-CE1 3.95Å; T503-F508 HydrophobicContact CG2-CE2 3.95Å; T503-F508 HydrophobicContact CG2-CZ 3.7Å; T503-W509 PolarHBondContact O-NE1 2.68Å
504Q90.4Very high87.4Confident146 Ų14668.1 Ų68.168%0.68236%0.36SS*.THydrogen-bonded Turntrans-95.3-6175.5-63.2175.131.700112.7T500 E501 V502T500-Q504 WeakPolarHBondContact O-CG 3.17Å; T500-Q504 PolarHBondContact O-NE2 3.04Å; E501-Q504 WeakPolarHBondContact O-CB 3.25Å; E501-Q504 PolarHBondContact O-N 3.43Å; V502-Q504 PolarHBondContact O-N 3.14Å; V502-Q504 VanDerWaalsContact O-N 3.15Å
505T91.7Very high87Confident17 Ų1767.3 Ų67.310%0.10436%0.357CS..SBendtrans-78149.9-178.365.80000112.3V469 V502 A507 F508 W509V469-T505 HydrophobicContact CG1-CG2 4Å; V469-T505 WeakPolarHBondContact O-CG2 3.35Å; V502-T505 WeakPolarHBondContact O-CB 3.26Å; V502-T505 PolarHBondContact O-N 3.34Å; V502-T505 VanDerWaalsContact O-N 3.08Å; V502-T505 PolarHBondContact O-OG1 2.97Å; T505-A507 PolarHBondContact O-N 3.24Å; T505-F508 PolarHBondContact O-N 2.82Å; T505-F508 PolarHBondContact OG1-N 3.02Å; T505-W509 VanDerWaalsContact O-CD1 3.31Å
506A86.9Confident86.7Confident64 Ų6469 Ų6953%0.52937%0.366SS..Hα-helixtrans-60.1-37.1174.200000111.9F508 W509 Q510A506-F508 VanDerWaalsContact C-N 3.26Å; A506-F508 PolarHBondContact O-N 2.85Å; A506-W509 PolarHBondContact O-N 2.97Å; A506-W509 VanDerWaalsContact O-N 3.16Å; A506-Q510 WeakPolarHBondContact O-CB 3.37Å; A506-Q510 VanDerWaalsContact O-CG 3.31Å; A506-Q510 WeakPolarHBondContact O-CG 3.5Å; A506-Q510 PolarHBondContact O-N 3.26Å
507A85.1Confident86.5Confident12 Ų1274.9 Ų74.910%0.09939%0.391CS..Hα-helixtrans-58.7-35.4177.500000112.7S474 T505 M511S474-A507 WeakPolarHBondContact OG-CB 3.06Å; T505-A507 PolarHBondContact O-N 3.24Å; A507-M511 WeakPolarHBondContact O-CG 3.46Å
508F87.1Confident86.3Confident15 Ų1575 Ų757%0.06639%0.388CS..Hα-helixtrans-69.7-39.7176.7-173-92.9000112.4F473 V502 T503 T505 A506 L516 F519F473-F508 HydrophobicContact CD1-CD2 4.21Å; F473-F508 AromaticContact CD2-CD2 3.53Å; F473-F508 HydrophobicContact CD2-CD2 3.53Å; F473-F508 HydrophobicContact CD2-CE2 4.02Å; F473-F508 HydrophobicContact CE1-CD2 4.23Å; F473-F508 AromaticContact CE2-CD2 3.54Å; F473-F508 HydrophobicContact CE2-CD2 3.54Å; F473-F508 AromaticContact CE2-CE2 3.6Å; F473-F508 HydrophobicContact CE2-CE2 3.6Å; F473-F508 HydrophobicContact CG-CB 4.46Å; F473-F508 AromaticContact CG-CD2 3.87Å; F473-F508 HydrophobicContact CG-CD2 3.87Å; F473-F508 AromaticContact CZ-CD2 3.9Å; F473-F508 HydrophobicContact CZ-CD2 3.9Å; F473-F508 AromaticContact CZ-CE2 3.98Å; F473-F508 HydrophobicContact CZ-CE2 3.98Å; V502-F508 HydrophobicContact CG1-CD2 4.33Å; V502-F508 WeakPolarHBondContact O-CB 3.18Å; T503-F508 HydrophobicContact CG2-CD1 4.42Å; T503-F508 HydrophobicContact CG2-CD2 4.41Å; T503-F508 HydrophobicContact CG2-CE1 3.95Å; T503-F508 HydrophobicContact CG2-CE2 3.95Å; T503-F508 HydrophobicContact CG2-CZ 3.7Å; T505-F508 PolarHBondContact O-N 2.82Å; T505-F508 PolarHBondContact OG1-N 3.02Å; A506-F508 VanDerWaalsContact C-N 3.26Å; A506-F508 PolarHBondContact O-N 2.85Å; F508-L516 HydrophobicContact CD1-CD1 4.47Å; F508-L516 HydrophobicContact CD2-CD1 4.39Å; F508-L516 HydrophobicContact CE1-CD1 3.84Å; F508-L516 HydrophobicContact CE2-CD1 3.75Å; F508-L516 HydrophobicContact CZ-CD1 3.43Å; F508-L516 VanDerWaalsContact CZ-CD1 3.43Å; F508-F519 HydrophobicContact CE2-CD1 4.19Å; F508-F519 HydrophobicContact CE2-CE1 4.04Å
509W83.7Confident86.3Confident183 Ų18371.7 Ų71.769%0.69337%0.372SS*.Hα-helixtrans-84.1-21.7-175.2-70.6105.7000114.8T503 T505 A506 M511T503-W509 PolarHBondContact O-NE1 2.68Å; T505-W509 VanDerWaalsContact O-CD1 3.31Å; A506-W509 PolarHBondContact O-N 2.97Å; A506-W509 VanDerWaalsContact O-N 3.16Å; W509-M511 VanDerWaalsContact C-N 3.32Å
510Q82.3Confident86.2Confident159 Ų15974.2 Ų74.274%0.74339%0.385SS*.THydrogen-bonded Turntrans-86.82.1-179.1-70.8178.9-0.300113.9A506A506-Q510 WeakPolarHBondContact O-CB 3.37Å; A506-Q510 VanDerWaalsContact O-CG 3.31Å; A506-Q510 WeakPolarHBondContact O-CG 3.5Å; A506-Q510 PolarHBondContact O-N 3.26Å
511M77.8Confident86.1Confident62 Ų6271.6 Ų71.631%0.30537%0.374SS..SBendtrans-90.5164.1-169.6-76.9-69150.400115.5F473 A507 W509F473-M511 HydrophobicContact CD1-CB 4.4Å; F473-M511 HydrophobicContact CD1-CG 3.83Å; F473-M511 HydrophobicContact CE1-CB 3.92Å; F473-M511 HydrophobicContact CE1-CG 3.83Å; A507-M511 WeakPolarHBondContact O-CG 3.46Å; W509-M511 VanDerWaalsContact C-N 3.32Å
512D74.3Confident86Confident115 Ų11569.8 Ų69.862%0.61537%0.365SS*.  trans-64.7132.6-179-1649000112.1P514 L515 L516D512-P514 VanDerWaalsContact C-CD 3.44Å; D512-P514 VanDerWaalsContact CG-CD 3.42Å; D512-P514 WeakPolarHBondContact OD1-CD 3.34Å; D512-L515 PolarHBondContact O-N 2.82Å; D512-L516 PolarHBondContact O-N 3.12Å; D512-L516 VanDerWaalsContact O-N 3.16Å
513G79.9Confident85.9Confident35 Ų3569.8 Ų69.836%0.36137%0.365SS..Hα-helixtrans-59.4-35.7-172.600000115.7K517G513-K517 VanDerWaalsContact O-CG 3.31Å; G513-K517 WeakPolarHBondContact O-CG 3.41Å; G513-K517 PolarHBondContact O-N 2.83Å
514P85.6Confident85.7Confident84 Ų8471.3 Ų71.355%0.54538%0.377SS..Hα-helixtrans-65.8-47.4175.1-22.235000113D512 L516 K517 E518D512-P514 VanDerWaalsContact C-CD 3.44Å; D512-P514 VanDerWaalsContact CG-CD 3.42Å; D512-P514 WeakPolarHBondContact OD1-CD 3.34Å; P514-L516 VanDerWaalsContact C-N 3.29Å; P514-L516 PolarHBondContact O-N 2.98Å; P514-K517 WeakPolarHBondContact O-CB 3.36Å; P514-K517 PolarHBondContact O-N 3.49Å; P514-E518 PolarHBondContact O-N 3.33Å
515L86.7Confident85.5Confident25 Ų2573.2 Ų73.213%0.13138%0.383CS..Hα-helixtrans-62.8-39.6-179.6-166.2104.3000111.1F473 F476 V480 D512 E518 F519F473-L515 HydrophobicContact CE1-CD2 4.49Å; F476-L515 HydrophobicContact CD1-CD2 4.35Å; F476-L515 HydrophobicContact CE1-CD2 4.2Å; F476-L515 HydrophobicContact CE1-CG 4.44Å; V480-L515 HydrophobicContact CB-CD1 3.88Å; V480-L515 HydrophobicContact CG1-CD1 3.69Å; V480-L515 HydrophobicContact CG2-CD1 4.13Å; D512-L515 PolarHBondContact O-N 2.82Å; L515-E518 PolarHBondContact O-N 2.82Å; L515-F519 WeakPolarHBondContact O-CB 3.07Å; L515-F519 PolarHBondContact O-N 2.88Å
516L87Confident85.1Confident35 Ų3576.2 Ų76.218%0.18340%0.404CS..Hα-helixtrans-63.1-42.5175.8-175.263.6000112.2F473 F508 D512 P514 E518 F519 I520F473-L516 HydrophobicContact CZ-CD1 3.96Å; F508-L516 HydrophobicContact CD1-CD1 4.47Å; F508-L516 HydrophobicContact CD2-CD1 4.39Å; F508-L516 HydrophobicContact CE1-CD1 3.84Å; F508-L516 HydrophobicContact CE2-CD1 3.75Å; F508-L516 HydrophobicContact CZ-CD1 3.43Å; F508-L516 VanDerWaalsContact CZ-CD1 3.43Å; D512-L516 PolarHBondContact O-N 3.12Å; D512-L516 VanDerWaalsContact O-N 3.16Å; P514-L516 VanDerWaalsContact C-N 3.29Å; P514-L516 PolarHBondContact O-N 2.98Å; L516-E518 VanDerWaalsContact C-N 3.34Å; L516-F519 PolarHBondContact O-N 2.98Å; L516-I520 HydrophobicContact CD1-CD1 4.35Å; L516-I520 HydrophobicContact CG-CD1 4.08Å; L516-I520 VanDerWaalsContact O-CG1 3.27Å; L516-I520 WeakPolarHBondContact O-CG1 3.48Å; L516-I520 PolarHBondContact O-N 3.28Å
517K87.1Confident84.8Confident158 Ų15874.4 Ų74.469%0.68739%0.391SS*.Hα-helixtrans-63.1-41.8175.9-74.9173-175.5177.90111.6G513 P514 I520 A521G513-K517 VanDerWaalsContact O-CG 3.31Å; G513-K517 WeakPolarHBondContact O-CG 3.41Å; G513-K517 PolarHBondContact O-N 2.83Å; P514-K517 WeakPolarHBondContact O-CB 3.36Å; P514-K517 PolarHBondContact O-N 3.49Å; K517-I520 PolarHBondContact O-N 2.85Å; K517-A521 WeakPolarHBondContact O-CB 3.48Å; K517-A521 PolarHBondContact O-N 3.5Å
518E87.9Confident84.6Confident116 Ų11675.4 Ų75.454%0.54240%0.399SS..Hα-helixtrans-63.6-46176.7-176.4170.1-166.400111.5P514 L515 L516 I520 A521 K522P514-E518 PolarHBondContact O-N 3.33Å; L515-E518 PolarHBondContact O-N 2.82Å; L516-E518 VanDerWaalsContact C-N 3.34Å; E518-I520 PolarHBondContact O-N 3.18Å; E518-A521 PolarHBondContact O-N 2.91Å; E518-K522 WeakPolarHBondContact O-CB 3.19Å; E518-K522 PolarHBondContact O-N 3.18Å
519F89.6Confident84.1Confident2 Ų280.2 Ų80.21%0.00942%0.42CS..Hα-helixtrans-56.5-49.2174.5178.3-92.2000111.7F473 F476 F492 C495 I496 L499 F508 L515 L516 A521 K522 A523F473-F519 HydrophobicContact CD2-CE2 4.43Å; F473-F519 HydrophobicContact CE2-CB 4.29Å; F473-F519 AromaticContact CE2-CD1 3.8Å; F473-F519 HydrophobicContact CE2-CD1 3.8Å; F473-F519 AromaticContact CE2-CD2 3.73Å; F473-F519 HydrophobicContact CE2-CD2 3.73Å; F473-F519 HydrophobicContact CE2-CE1 4.02Å; F473-F519 AromaticContact CE2-CE2 3.96Å; F473-F519 HydrophobicContact CE2-CE2 3.96Å; F473-F519 AromaticContact CE2-CG 3.65Å; F473-F519 HydrophobicContact CE2-CG 3.65Å; F473-F519 HydrophobicContact CE2-CZ 4.1Å; F473-F519 HydrophobicContact CZ-CB 4.3Å; F473-F519 HydrophobicContact CZ-CD1 4.4Å; F473-F519 HydrophobicContact CZ-CD2 4.5Å; F473-F519 HydrophobicContact CZ-CG 4.14Å; F476-F519 HydrophobicContact CD1-CD2 4.08Å; F476-F519 HydrophobicContact CE1-CB 4.16Å; F476-F519 AromaticContact CE1-CD2 3.7Å; F476-F519 HydrophobicContact CE1-CD2 3.7Å; F476-F519 HydrophobicContact CE1-CG 4.37Å; F476-F519 AromaticContact CZ-CD2 3.95Å; F476-F519 HydrophobicContact CZ-CD2 3.95Å; F492-F519 AromaticContact CD2-CD2 3.72Å; F492-F519 HydrophobicContact CD2-CD2 3.72Å; F492-F519 AromaticContact CD2-CE2 3.6Å; F492-F519 HydrophobicContact CD2-CE2 3.6Å; F492-F519 AromaticContact CE2-CD2 3.86Å; F492-F519 HydrophobicContact CE2-CD2 3.86Å; F492-F519 AromaticContact CE2-CE2 3.79Å; F492-F519 HydrophobicContact CE2-CE2 3.79Å; C495-F519 HydrophobicContact CB-CE2 3.73Å; C495-F519 HydrophobicContact CB-CZ 3.72Å; I496-F519 HydrophobicContact CD1-CZ 4.11Å; L499-F519 HydrophobicContact CD1-CE1 3.91Å; L499-F519 HydrophobicContact CD1-CZ 4.13Å; F508-F519 HydrophobicContact CE2-CD1 4.19Å; F508-F519 HydrophobicContact CE2-CE1 4.04Å; L515-F519 WeakPolarHBondContact O-CB 3.07Å; L515-F519 PolarHBondContact O-N 2.88Å; L516-F519 PolarHBondContact O-N 2.98Å; F519-A521 PolarHBondContact O-N 3.14Å; F519-K522 PolarHBondContact O-N 2.93Å; F519-A523 HydrophobicContact CE1-CB 4.48Å; F519-A523 VanDerWaalsContact O-CB 3.25Å; F519-A523 WeakPolarHBondContact O-CB 3.24Å; F519-A523 PolarHBondContact O-N 2.84Å
520I88.4Confident83.5Confident75 Ų7580.1 Ų80.139%0.38543%0.425SS..Hα-helixtrans-62.8-41.6179-67.6166.6000111.1L516 K517 E518 A523 S524 F529L516-I520 HydrophobicContact CD1-CD1 4.35Å; L516-I520 HydrophobicContact CG-CD1 4.08Å; L516-I520 VanDerWaalsContact O-CG1 3.27Å; L516-I520 WeakPolarHBondContact O-CG1 3.48Å; L516-I520 PolarHBondContact O-N 3.28Å; K517-I520 PolarHBondContact O-N 2.85Å; E518-I520 PolarHBondContact O-N 3.18Å; I520-A523 PolarHBondContact O-N 3.05Å; I520-S524 VanDerWaalsContact O-CB 3.31Å; I520-S524 WeakPolarHBondContact O-CB 3.14Å; I520-S524 PolarHBondContact O-N 2.95Å; I520-F529 HydrophobicContact CG2-CE2 4.18Å; I520-F529 HydrophobicContact CG2-CZ 4.28Å
521A87.1Confident82.1Confident50 Ų5083.9 Ų83.941%0.41345%0.45SS..Hα-helixtrans-63.6-41.9177.100000111.8K517 E518 F519 K525K517-A521 WeakPolarHBondContact O-CB 3.48Å; K517-A521 PolarHBondContact O-N 3.5Å; E518-A521 PolarHBondContact O-N 2.91Å; F519-A521 PolarHBondContact O-N 3.14Å; A521-K525 WeakPolarHBondContact O-CG 3.17Å; A521-K525 PolarHBondContact O-N 2.93Å
522K88.4Confident82.3Confident73 Ų7385 Ų8532%0.31746%0.457SS..Hα-helixtrans-66.4-45.4176.1-160.6173.2178.6166.70110.7E488 F492 E518 F519 S524 K525 C526E488-K522 IonicContact OE1-NZ 2.72Å; E488-K522 PolarHBondContact OE1-NZ 3.42Å; F492-K522 HydrophobicContact CD2-CD 4.05Å; F492-K522 HydrophobicContact CD2-CG 4.44Å; F492-K522 HydrophobicContact CE1-CD 4.34Å; F492-K522 HydrophobicContact CE1-CG 4.06Å; F492-K522 HydrophobicContact CE2-CB 3.77Å; F492-K522 HydrophobicContact CE2-CD 3.84Å; F492-K522 HydrophobicContact CE2-CG 3.75Å; F492-K522 HydrophobicContact CG-CD 4.4Å; F492-K522 HydrophobicContact CZ-CB 3.83Å; F492-K522 HydrophobicContact CZ-CD 4.01Å; F492-K522 HydrophobicContact CZ-CG 3.53Å; E518-K522 WeakPolarHBondContact O-CB 3.19Å; E518-K522 PolarHBondContact O-N 3.18Å; F519-K522 PolarHBondContact O-N 2.93Å; K522-S524 VanDerWaalsContact C-N 3.34Å; K522-S524 PolarHBondContact O-N 3.01Å; K522-K525 PolarHBondContact O-N 3.33Å; K522-C526 PolarHBondContact O-N 2.79Å; K522-C526 VanDerWaalsContact O-N 3.11Å; K522-C526 PolarHBondContact O-SG 2.94Å; K522-C526 VanDerWaalsContact O-SG 3.35Å
523A87.7Confident82.7Confident0 Ų083.4 Ų83.40%045%0.449CS..Hα-helixtrans-58.8-42.3175.500000112.5I496 F519 I520 C526 G527 A528 F529I496-A523 HydrophobicContact CD1-CB 3.4Å; I496-A523 VanDerWaalsContact CD1-CB 3.4Å; F519-A523 HydrophobicContact CE1-CB 4.48Å; F519-A523 VanDerWaalsContact O-CB 3.25Å; F519-A523 WeakPolarHBondContact O-CB 3.24Å; F519-A523 PolarHBondContact O-N 2.84Å; I520-A523 PolarHBondContact O-N 3.05Å; A523-C526 PolarHBondContact O-N 3.1Å; A523-G527 PolarHBondContact O-N 2.89Å; A523-A528 HydrophobicContact CB-CB 4.15Å; A523-A528 VanDerWaalsContact O-CB 3.29Å; A523-A528 WeakPolarHBondContact O-CB 3.3Å; A523-A528 PolarHBondContact O-N 3.4Å; A523-A528 VanDerWaalsContact O-N 3.07Å; A523-F529 HydrophobicContact CB-CE2 3.79Å; A523-F529 HydrophobicContact CB-CZ 4.04Å
524S84.9Confident82.8Confident72 Ų7286.1 Ų86.150%0.50345%0.454SS..Hα-helixtrans-61.5-44.3176.7-179.70000112.3I520 K522 C526 G527I520-S524 VanDerWaalsContact O-CB 3.31Å; I520-S524 WeakPolarHBondContact O-CB 3.14Å; I520-S524 PolarHBondContact O-N 2.95Å; K522-S524 VanDerWaalsContact C-N 3.34Å; K522-S524 PolarHBondContact O-N 3.01Å; S524-C526 VanDerWaalsContact C-N 3.27Å; S524-C526 PolarHBondContact O-N 3.2Å; S524-G527 PolarHBondContact O-N 3.45Å; S524-G527 VanDerWaalsContact O-N 3.07Å
525K85.8Confident82.7Confident185 Ų18586.2 Ų86.280%0.80445%0.448SS*.Hα-helixtrans-62.8-34.1175.5-71.5175.6-178.8177.10112.5A521 K522 G527A521-K525 WeakPolarHBondContact O-CG 3.17Å; A521-K525 PolarHBondContact O-N 2.93Å; K522-K525 PolarHBondContact O-N 3.33Å; K525-G527 PolarHBondContact O-N 3.02Å
526C83.9Confident82.4Confident81 Ų8190 Ų9055%0.54747%0.468SS..THydrogen-bonded Turntrans-77.90.5176.2-64.10000114K522 A523 S524 A528K522-C526 PolarHBondContact O-N 2.79Å; K522-C526 VanDerWaalsContact O-N 3.11Å; K522-C526 PolarHBondContact O-SG 2.94Å; K522-C526 VanDerWaalsContact O-SG 3.35Å; A523-C526 PolarHBondContact O-N 3.1Å; S524-C526 VanDerWaalsContact C-N 3.27Å; S524-C526 PolarHBondContact O-N 3.2Å; C526-A528 VanDerWaalsContact C-N 3.32Å; C526-A528 PolarHBondContact O-N 3.41Å
527G80.5Confident82.1Confident26 Ų2693.7 Ų93.727%0.26849%0.487SS..THydrogen-bonded Turntrans76.714.9178.600000114.5A523 S524 K525 F529 K530A523-G527 PolarHBondContact O-N 2.89Å; S524-G527 PolarHBondContact O-N 3.45Å; S524-G527 VanDerWaalsContact O-N 3.07Å; K525-G527 PolarHBondContact O-N 3.02Å; G527-F529 PolarHBondContact O-N 3.32Å; G527-K530 PolarHBondContact O-N 2.94Å
528A79.9Confident81.8Confident32 Ų3289.1 Ų89.126%0.26447%0.473SS..THydrogen-bonded Turntrans-64.5-13.9-175.300000114.6I496 L499 A523 C526I496-A528 HydrophobicContact CD1-CB 3.88Å; I496-A528 HydrophobicContact CG2-CB 3.95Å; L499-A528 HydrophobicContact CD2-CB 3.97Å; A523-A528 HydrophobicContact CB-CB 4.15Å; A523-A528 VanDerWaalsContact O-CB 3.29Å; A523-A528 WeakPolarHBondContact O-CB 3.3Å; A523-A528 PolarHBondContact O-N 3.4Å; A523-A528 VanDerWaalsContact O-N 3.07Å; C526-A528 VanDerWaalsContact C-N 3.32Å; C526-A528 PolarHBondContact O-N 3.41Å
529F78.1Confident81.3Confident116 Ų11687 Ų8751%0.50947%0.468SS..THydrogen-bonded Turntrans-110.39.2177.6-52.7-68.4000113.5L499 I520 A523 G527L499-F529 HydrophobicContact CD2-CD1 4.29Å; L499-F529 HydrophobicContact CD2-CE1 3.81Å; L499-F529 HydrophobicContact CD2-CZ 4.33Å; I520-F529 HydrophobicContact CG2-CE2 4.18Å; I520-F529 HydrophobicContact CG2-CZ 4.28Å; A523-F529 HydrophobicContact CB-CE2 3.79Å; A523-F529 HydrophobicContact CB-CZ 4.04Å; G527-F529 PolarHBondContact O-N 3.32Å
530K70.3Confident80.6Confident182 Ų18294.1 Ų94.179%0.79151%0.506SS*.  trans-86.2119.6173-71.7-174.8177.4179.10108.5G527G527-K530 PolarHBondContact O-N 2.94Å
531N52.3Low79.9Confident237 Ų23795.8 Ų95.8100%1.26752%0.517SS*.  trans-64.90168.6-76.5-15.9000111.4

Retrieved 531 of 531 residues in 115.5 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).