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Kynureninase

Catalyzes the cleavage of L-kynurenine (L-Kyn) and L-3-hydroxykynurenine (L-3OHKyn) into anthranilic acid (AA) and 3-hydroxyanthranilic acid (3-OHAA), respectively.

AlphaFold DB , UniProt , Accession A0A077YV47, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 434 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.3Low49.6Very low64 Ų64121 Ų12132%0.31567%0.666SS.*  0-260-78.8-172.3-174.100113.5S3 M36 D40 M341 F415M1-S3 PolarHBondContact O-N 3.15Å; M1-M36 HydrophobicContact CE-CE 3.97Å; M1-D40 HydrophobicContact CE-CB 4.25Å; M1-M341 HydrophobicContact CE-CB 4.45Å; M1-M341 HydrophobicContact CE-CG 4.46Å; M1-F415 HydrophobicContact CE-CE2 3.42Å; M1-F415 VanDerWaalsContact CE-CE2 3.42Å; M1-F415 HydrophobicContact CE-CZ 3.37Å
2E46.4Very low53.3Low182 Ų182112.8 Ų112.885%0.8562%0.621SS**THydrogen-bonded Turntrans-71-11.4178.9-64.9-179.8162.500114.9M4E2-M4 PolarHBondContact O-N 3.47Å
3S42.5Very low56.3Low95 Ų95113.1 Ų113.166%0.66461%0.612SS**THydrogen-bonded Turntrans-82.8-2.9-17656.70000115.6M1 N5M1-S3 PolarHBondContact O-N 3.15Å; S3-N5 PolarHBondContact O-N 3.35Å
4M48Very low59.1Low101 Ų101108.6 Ų108.650%0.49859%0.594SS.*  trans-78.770.5164.7-84.7-173.570.200109.5E2 L12 F15 M341E2-M4 PolarHBondContact O-N 3.47Å; M4-L12 HydrophobicContact CE-CD2 4.37Å; M4-L12 HydrophobicContact SD-CD2 4.1Å; M4-F15 HydrophobicContact CG-CD2 4.08Å; M4-F15 HydrophobicContact CG-CE2 4.13Å; M4-M341 HydrophobicContact SD-SD 4.18Å
5N33.2Very low61.5Low130 Ų130102.9 Ų102.970%0.69556%0.56SS**  trans-73.8133.7161.5-82.9-22.5000108.2S3 E7S3-N5 PolarHBondContact O-N 3.35Å; N5-E7 PolarHBondContact O-N 3.36Å
6A40.2Very low63.8Low111 Ų11196.5 Ų96.592%0.91753%0.526SS*.THydrogen-bonded Turntrans-62.611.1-16800000116.7
7E36.2Very low65.7Low188 Ų18893.7 Ų93.788%0.87951%0.51SS*.THydrogen-bonded Turntrans-102.6-6.2-175.6-69.9-173.6167.400114.4N5N5-E7 PolarHBondContact O-N 3.36Å
8Q39.1Very low67.4Low156 Ų15692.9 Ų92.973%0.72951%0.509SS*.SBendtrans-123.6108.8170.7-66.2-177-13.300108.9V10Q8-V10 HydrophobicContact CB-CG2 3.89Å; Q8-V10 PolarHBondContact O-N 3.2Å
9D50.3Low68.9Low177 Ų17789.2 Ų89.295%0.94749%0.488SS*.  trans-71.459.2177.5-155.87.9000110.4S11D9-S11 PolarHBondContact O-N 3.26Å
10V66.7Low70.3Confident57 Ų5785.4 Ų85.435%0.34547%0.469SS..  trans-79.6116.4177.4-178.50000106.8Q8 L12Q8-V10 HydrophobicContact CB-CG2 3.89Å; Q8-V10 PolarHBondContact O-N 3.2Å; V10-L12 PolarHBondContact O-N 2.68Å
11S88.7Confident71.6Confident70 Ų7087.2 Ų87.249%0.4948%0.482SS..  trans-51.1144.2173.868.80000111D9 K13 S14 F15D9-S11 PolarHBondContact O-N 3.26Å; S11-K13 PolarHBondContact O-N 2.8Å; S11-K13 VanDerWaalsContact O-N 3.08Å; S11-S14 WeakPolarHBondContact O-CB 3.41Å; S11-S14 PolarHBondContact O-N 2.94Å; S11-S14 WeakPolarHBondContact OG-CB 3.42Å; S11-S14 PolarHBondContact OG-N 2.97Å; S11-F15 PolarHBondContact O-N 3.41Å
12L93.5Very high73.6Confident23 Ų2390.8 Ų90.812%0.1250%0.498CS..Hα-helixtrans-53.1-35176.7-68.5173.6000111.9M4 V10 F15 F16 I340 M341 P367M4-L12 HydrophobicContact CE-CD2 4.37Å; M4-L12 HydrophobicContact SD-CD2 4.1Å; V10-L12 PolarHBondContact O-N 2.68Å; L12-F15 WeakPolarHBondContact O-CB 3.27Å; L12-F15 PolarHBondContact O-N 3Å; L12-F16 HydrophobicContact CB-CE2 4.06Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å; L12-F16 WeakPolarHBondContact O-CG 3.19Å; L12-F16 PolarHBondContact O-N 3.21Å; L12-I340 HydrophobicContact CD1-CG2 3.7Å; L12-I340 HydrophobicContact CD2-CG2 3.96Å; L12-I340 HydrophobicContact CG-CG2 4.39Å; L12-M341 HydrophobicContact CD2-SD 3.89Å; L12-P367 HydrophobicContact CD1-CB 4.24Å; L12-P367 HydrophobicContact CD1-CG 3.57Å; L12-P367 HydrophobicContact CG-CG 4.43Å
13K93.3Very high75.9Confident116 Ų11686.2 Ų86.250%0.50448%0.477SS..Hα-helixtrans-57.4-52.7173.6-173.5-178.6-178.9-64.40112S11 F15 F16 D17 Y348S11-K13 PolarHBondContact O-N 2.8Å; S11-K13 VanDerWaalsContact O-N 3.08Å; K13-F15 VanDerWaalsContact C-N 3.26Å; K13-F15 PolarHBondContact O-N 3.18Å; K13-F16 PolarHBondContact O-N 3.13Å; K13-D17 IonicContact NZ-OD2 2.8Å; K13-D17 PolarHBondContact NZ-OD2 3.29Å; K13-D17 WeakPolarHBondContact O-CB 3.33Å; K13-D17 VanDerWaalsContact O-CG 3.28Å; K13-D17 PolarHBondContact O-N 2.95Å; K13-Y348 HydrophobicContact CB-CD2 4.29Å; K13-Y348 HydrophobicContact CB-CE2 4.49Å; K13-Y348 HydrophobicContact CD-CE2 4.5Å; K13-Y348 HydrophobicContact CG-CD2 3.73Å; K13-Y348 HydrophobicContact CG-CE2 3.57Å
14S94.6Very high78.5Confident51 Ų5184.9 Ų84.936%0.35748%0.478SS..Hα-helixtrans-63.7-32.8177.9-177.30000112.3S11 T18S11-S14 WeakPolarHBondContact O-CB 3.41Å; S11-S14 PolarHBondContact O-N 2.94Å; S11-S14 WeakPolarHBondContact OG-CB 3.42Å; S11-S14 PolarHBondContact OG-N 2.97Å; S14-T18 WeakPolarHBondContact O-CB 3.28Å; S14-T18 PolarHBondContact O-N 3.15Å; S14-T18 PolarHBondContact O-OG1 2.91Å
15F95.9Very high80.8Confident22 Ų2282 Ų8210%0.09646%0.464CS..Hα-helixtrans-62.6-49.5173.4175.3-88.8000111.3M4 S11 L12 K13 T18 I19 M341M4-F15 HydrophobicContact CG-CD2 4.08Å; M4-F15 HydrophobicContact CG-CE2 4.13Å; S11-F15 PolarHBondContact O-N 3.41Å; L12-F15 WeakPolarHBondContact O-CB 3.27Å; L12-F15 PolarHBondContact O-N 3Å; K13-F15 VanDerWaalsContact C-N 3.26Å; K13-F15 PolarHBondContact O-N 3.18Å; F15-T18 PolarHBondContact O-N 3.48Å; F15-I19 HydrophobicContact CD1-CD1 4Å; F15-I19 HydrophobicContact CE1-CD1 3.26Å; F15-I19 HydrophobicContact CE1-CG1 4.31Å; F15-I19 HydrophobicContact CE2-CD1 4.34Å; F15-I19 HydrophobicContact CZ-CD1 3.49Å; F15-I19 VanDerWaalsContact CZ-CD1 3.49Å; F15-I19 HydrophobicContact CZ-CG1 4.43Å; F15-I19 PolarHBondContact O-N 3.41Å; F15-I19 VanDerWaalsContact O-N 3.16Å; F15-M341 HydrophobicContact CD1-CE 3.58Å; F15-M341 HydrophobicContact CE1-CE 3.17Å; F15-M341 HydrophobicContact CE1-SD 4.32Å; F15-M341 HydrophobicContact CZ-CE 4.03Å
16F97.2Very high83.8Confident1 Ų179.4 Ų79.40%0.00445%0.454CS..Hα-helixtrans-64.4-42.2177-62.4-53.4000112.4L12 K13 T18 I19 A20 V27 F32 M36 M341 G344 Y348L12-F16 HydrophobicContact CB-CE2 4.06Å; L12-F16 WeakPolarHBondContact O-CD2 3.43Å; L12-F16 WeakPolarHBondContact O-CG 3.19Å; L12-F16 PolarHBondContact O-N 3.21Å; K13-F16 PolarHBondContact O-N 3.13Å; F16-T18 VanDerWaalsContact C-N 3.26Å; F16-T18 PolarHBondContact O-N 3.06Å; F16-I19 PolarHBondContact O-N 3.28Å; F16-A20 WeakPolarHBondContact O-CB 3.26Å; F16-A20 PolarHBondContact O-N 3.39Å; F16-V27 HydrophobicContact CB-CG1 3.99Å; F16-V27 HydrophobicContact CB-CG2 3.9Å; F16-F32 HydrophobicContact CB-CZ 4.02Å; F16-F32 HydrophobicContact CD1-CE1 4.02Å; F16-F32 AromaticContact CD1-CZ 3.89Å; F16-F32 HydrophobicContact CD1-CZ 3.89Å; F16-F32 HydrophobicContact CG-CZ 4.37Å; F16-M36 HydrophobicContact CE1-CE 4.04Å; F16-M341 HydrophobicContact CD1-CE 4.34Å; F16-M341 HydrophobicContact CE1-CE 3.39Å; F16-M341 HydrophobicContact CZ-CE 3.73Å; F16-G344 VanDerWaalsContact CE2-C 3.48Å; F16-Y348 HydrophobicContact CB-CD2 4.26Å; F16-Y348 HydrophobicContact CB-CE2 4.31Å; F16-Y348 HydrophobicContact CD2-CD2 4.06Å
17D96.8Very high86.5Confident49 Ų4974.3 Ų74.326%0.26241%0.412SS..Hα-helixtrans-58.5-39.6176.5-71.5-26.3000110.9K13 A20 V21 Y348K13-D17 IonicContact NZ-OD2 2.8Å; K13-D17 PolarHBondContact NZ-OD2 3.29Å; K13-D17 WeakPolarHBondContact O-CB 3.33Å; K13-D17 VanDerWaalsContact O-CG 3.28Å; K13-D17 PolarHBondContact O-N 2.95Å; D17-A20 PolarHBondContact O-N 3.17Å; D17-V21 WeakPolarHBondContact O-CG2 3.43Å; D17-V21 PolarHBondContact O-N 3.15Å; D17-Y348 VanDerWaalsContact OD1-CE2 3.29Å; D17-Y348 WeakPolarHBondContact OD1-CE2 3.24Å; D17-Y348 PolarHBondContact OD1-OH 3.22Å
18T96.9Very high89.3Confident80 Ų8067 Ų6749%0.49138%0.38SS..Hα-helixtrans-64.6-46.6176.9-58.20000112S14 F15 F16 A20 V21 Q22S14-T18 WeakPolarHBondContact O-CB 3.28Å; S14-T18 PolarHBondContact O-N 3.15Å; S14-T18 PolarHBondContact O-OG1 2.91Å; F15-T18 PolarHBondContact O-N 3.48Å; F16-T18 VanDerWaalsContact C-N 3.26Å; F16-T18 PolarHBondContact O-N 3.06Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 3.29Å; T18-V21 PolarHBondContact O-N 3.27Å; T18-Q22 WeakPolarHBondContact O-CB 3.31Å; T18-Q22 PolarHBondContact O-N 2.88Å
19I96.2Very high92.1Very high22 Ų2263 Ų6311%0.11336%0.363CS..Hα-helixtrans-61.7-42.8176.3-66.3179.2000110.4F15 F16 V21 Q22 H23 F32 M36F15-I19 HydrophobicContact CD1-CD1 4Å; F15-I19 HydrophobicContact CE1-CD1 3.26Å; F15-I19 HydrophobicContact CE1-CG1 4.31Å; F15-I19 HydrophobicContact CE2-CD1 4.34Å; F15-I19 HydrophobicContact CZ-CD1 3.49Å; F15-I19 VanDerWaalsContact CZ-CD1 3.49Å; F15-I19 HydrophobicContact CZ-CG1 4.43Å; F15-I19 PolarHBondContact O-N 3.41Å; F15-I19 VanDerWaalsContact O-N 3.16Å; F16-I19 PolarHBondContact O-N 3.28Å; I19-V21 PolarHBondContact O-N 3.37Å; I19-Q22 PolarHBondContact O-N 3.44Å; I19-H23 PolarHBondContact O-CD2 3.29Å; I19-H23 PolarHBondContact O-N 3.48Å; I19-F32 HydrophobicContact CB-CE2 3.96Å; I19-F32 HydrophobicContact CB-CZ 4.27Å; I19-F32 HydrophobicContact CG2-CD2 4.49Å; I19-F32 HydrophobicContact CG2-CE2 3.64Å; I19-F32 HydrophobicContact CG2-CZ 4.13Å; I19-M36 HydrophobicContact CD1-SD 3.9Å; I19-M36 HydrophobicContact CG2-SD 4.5Å
20A96.8Very high94.3Very high12 Ų1256.6 Ų56.610%0.09934%0.335CS..Hα-helixtrans-60.1-45.1179.900000111.9F16 D17 T18 G24 I25 V27 F32F16-A20 WeakPolarHBondContact O-CB 3.26Å; F16-A20 PolarHBondContact O-N 3.39Å; D17-A20 PolarHBondContact O-N 3.17Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 3.29Å; A20-G24 WeakPolarHBondContact O-CA 3.35Å; A20-G24 PolarHBondContact O-N 3.02Å; A20-I25 WeakPolarHBondContact CA-O 3.22Å; A20-I25 WeakPolarHBondContact CB-O 3.26Å; A20-I25 PolarHBondContact O-N 2.84Å; A20-V27 HydrophobicContact CB-CG2 3.57Å; A20-F32 HydrophobicContact CB-CD2 4.25Å; A20-F32 HydrophobicContact CB-CE2 3.98Å
21V96.9Very high95.8Very high124 Ų12455.9 Ų55.975%0.75234%0.335SS*.Hα-helixtrans-65-44.4175.4171.70000111.4D17 T18 I19 H23 G24D17-V21 WeakPolarHBondContact O-CG2 3.43Å; D17-V21 PolarHBondContact O-N 3.15Å; T18-V21 PolarHBondContact O-N 3.27Å; I19-V21 PolarHBondContact O-N 3.37Å; V21-H23 VanDerWaalsContact C-N 3.27Å; V21-H23 PolarHBondContact O-N 2.84Å; V21-G24 PolarHBondContact O-N 2.99Å
22Q96.5Very high96.3Very high140 Ų14052.6 Ų52.665%0.65431%0.312SS*.Hα-helixtrans-59.8-37-179.6178.7178.3-12.500112.6T18 I19T18-Q22 WeakPolarHBondContact O-CB 3.31Å; T18-Q22 PolarHBondContact O-N 2.88Å; I19-Q22 PolarHBondContact O-N 3.44Å
23H95.4Very high96.5Very high86 Ų8651.5 Ų51.540%0.39831%0.306SS..Hα-helixtrans-99.7-7.6-177.5-71.9-82.2000114.1I19 V21 I25 H35I19-H23 PolarHBondContact O-CD2 3.29Å; I19-H23 PolarHBondContact O-N 3.48Å; V21-H23 VanDerWaalsContact C-N 3.27Å; V21-H23 PolarHBondContact O-N 2.84Å; H23-I25 VanDerWaalsContact C-N 3.3Å; H23-I25 HydrophobicContact CB-CD1 4.14Å; H23-I25 HydrophobicContact CB-CG1 4.28Å; H23-I25 PolarHBondContact O-N 3.19Å; H23-H35 AromaticContact CD2-NE2 3.74Å; H23-H35 AromaticContact CE1-CE1 3.43Å; H23-H35 PolarHBondContact CE1-CE1 3.01Å; H23-H35 VanDerWaalsContact CE1-CE1 3.43Å; H23-H35 AromaticContact CE1-NE2 3.86Å; H23-H35 AromaticContact ND1-CE1 3.88Å; H23-H35 AromaticContact NE2-CE1 3.54Å; H23-H35 AromaticContact NE2-NE2 3.49Å; H23-H35 PolarHBondContact NE2-NE2 2.88Å
24G96.2Very high96.8Very high66 Ų6652 Ų5268%0.6831%0.308SS*.THydrogen-bonded Turntrans6729-176.200000113.5A20 V21A20-G24 WeakPolarHBondContact O-CA 3.35Å; A20-G24 PolarHBondContact O-N 3.02Å; V21-G24 PolarHBondContact O-N 2.99Å
25I96.1Very high96.9Very high42 Ų4250.9 Ų50.922%0.21530%0.298CS..  trans-124.6120.8-177.2-53.9169.3000108.4A20 H23 D29 A31 F32A20-I25 WeakPolarHBondContact CA-O 3.22Å; A20-I25 WeakPolarHBondContact CB-O 3.26Å; A20-I25 PolarHBondContact O-N 2.84Å; H23-I25 VanDerWaalsContact C-N 3.3Å; H23-I25 HydrophobicContact CB-CD1 4.14Å; H23-I25 HydrophobicContact CB-CG1 4.28Å; H23-I25 PolarHBondContact O-N 3.19Å; I25-D29 HydrophobicContact CG2-CB 3.95Å; I25-A31 HydrophobicContact CD1-CB 4.24Å; I25-A31 HydrophobicContact CG2-CB 3.77Å; I25-F32 HydrophobicContact CG2-CB 3.9Å
26P96.5Very high97.1Very high75 Ų7550 Ų5049%0.48729%0.294SS..  trans-56.9141.2176.2-23.333.3000112T28 D29 F32P26-T28 PolarHBondContact O-N 3.12Å; P26-D29 HydrophobicContact CB-CB 4.32Å; P26-D29 WeakPolarHBondContact O-CB 3.46Å; P26-D29 PolarHBondContact O-N 3.34Å; P26-F32 VanDerWaalsContact O-CB 3.3Å; P26-F32 WeakPolarHBondContact O-CB 3.31Å
27V96.6Very high97.1Very high4 Ų451.2 Ų51.22%0.02430%0.3CS..THydrogen-bonded Turntrans-53.4-31.5176.8-179.40000111.8F16 A20 D29 F32 Y345 Y348F16-V27 HydrophobicContact CB-CG1 3.99Å; F16-V27 HydrophobicContact CB-CG2 3.9Å; A20-V27 HydrophobicContact CB-CG2 3.57Å; V27-D29 VanDerWaalsContact C-N 3.32Å; V27-D29 PolarHBondContact O-N 2.8Å; V27-F32 HydrophobicContact CG1-CD1 4.24Å; V27-F32 HydrophobicContact CG1-CE1 3.95Å; V27-F32 HydrophobicContact CG1-CZ 4.25Å; V27-F32 HydrophobicContact CG2-CE2 4.16Å; V27-F32 HydrophobicContact CG2-CZ 4.22Å; V27-Y345 HydrophobicContact CG1-CD2 4.11Å; V27-Y345 HydrophobicContact CG1-CE2 3.72Å; V27-Y345 VanDerWaalsContact O-CE2 3.3Å; V27-Y345 WeakPolarHBondContact O-CE2 3.45Å; V27-Y345 PolarHBondContact O-OH 3.35Å; V27-Y348 HydrophobicContact CB-CD1 4.09Å; V27-Y348 HydrophobicContact CB-CE1 3.55Å; V27-Y348 HydrophobicContact CB-CE2 4.29Å; V27-Y348 HydrophobicContact CG1-CD1 3.44Å; V27-Y348 VanDerWaalsContact CG1-CD1 3.44Å; V27-Y348 HydrophobicContact CG1-CD2 4.07Å; V27-Y348 HydrophobicContact CG1-CE1 3.46Å; V27-Y348 VanDerWaalsContact CG1-CE1 3.46Å; V27-Y348 HydrophobicContact CG1-CE2 4.02Å; V27-Y348 HydrophobicContact CG1-CG 3.81Å; V27-Y348 HydrophobicContact CG2-CE1 4.16Å; V27-Y348 HydrophobicContact CG2-CE2 4.07Å
28T95.8Very high97.2Very high35 Ų3553.5 Ų53.522%0.21531%0.31CS..THydrogen-bonded Turntrans-88.18.5-177.571.10000114.5P26 Y348 L349 Y353 Y419P26-T28 PolarHBondContact O-N 3.12Å; T28-Y348 HydrophobicContact CG2-CE1 4.11Å; T28-L349 HydrophobicContact CG2-CD2 4.05Å; T28-Y353 WeakPolarHBondContact CB-OH 3.39Å; T28-Y353 HydrophobicContact CG2-CE2 3.92Å; T28-Y353 PolarHBondContact O-OH 3.47Å; T28-Y353 PolarHBondContact OG1-OH 3.06Å; T28-Y419 WeakPolarHBondContact O-CE2 3.36Å
29D96.8Very high97.2Very high70 Ų7054.7 Ų54.737%0.37431%0.31SS..SBendtrans-95.7148.6177.3-165.4-74000111.4I25 P26 V27 A31 F32 A33I25-D29 HydrophobicContact CG2-CB 3.95Å; P26-D29 HydrophobicContact CB-CB 4.32Å; P26-D29 WeakPolarHBondContact O-CB 3.46Å; P26-D29 PolarHBondContact O-N 3.34Å; V27-D29 VanDerWaalsContact C-N 3.32Å; V27-D29 PolarHBondContact O-N 2.8Å; D29-A31 PolarHBondContact O-N 3.46Å; D29-A31 WeakPolarHBondContact OD1-CB 3.32Å; D29-A31 PolarHBondContact OD1-N 3.13Å; D29-F32 WeakPolarHBondContact O-CB 3.48Å; D29-F32 PolarHBondContact O-N 2.73Å; D29-A33 PolarHBondContact O-N 3.34Å
30A97.7Very high97.3Very high43 Ų4353.9 Ų53.936%0.35531%0.305SS..Hα-helixtrans-58.1-34.2176.200000112.4F32 A33 K34 Y419A30-F32 PolarHBondContact O-N 3.05Å; A30-A33 PolarHBondContact O-N 2.74Å; A30-K34 PolarHBondContact O-N 2.81Å; A30-Y419 HydrophobicContact CB-CD1 4.18Å; A30-Y419 HydrophobicContact CB-CE1 3.48Å; A30-Y419 VanDerWaalsContact CB-CE1 3.48Å; A30-Y419 HydrophobicContact CB-CE2 4.36Å; A30-Y419 PolarHBondContact N-OH 3.31Å
31A98Very high97.3Very high42 Ų4257.4 Ų57.435%0.34733%0.328SS..Hα-helixtrans-64.9-29178.100000112.4I25 D29 H35I25-A31 HydrophobicContact CD1-CB 4.24Å; I25-A31 HydrophobicContact CG2-CB 3.77Å; D29-A31 PolarHBondContact O-N 3.46Å; D29-A31 WeakPolarHBondContact OD1-CB 3.32Å; D29-A31 PolarHBondContact OD1-N 3.13Å; A31-H35 WeakPolarHBondContact O-CB 3.14Å; A31-H35 PolarHBondContact O-N 3.44Å
32F98.5Very high97.4Very high1 Ų152.1 Ų52.10%0.00430%0.295CS..Hα-helixtrans-69.9-46.4175.2-175.3-87.3000110.9F16 I19 A20 I25 P26 V27 D29 A30 K34 H35 M36 Y345F16-F32 HydrophobicContact CB-CZ 4.02Å; F16-F32 HydrophobicContact CD1-CE1 4.02Å; F16-F32 AromaticContact CD1-CZ 3.89Å; F16-F32 HydrophobicContact CD1-CZ 3.89Å; F16-F32 HydrophobicContact CG-CZ 4.37Å; I19-F32 HydrophobicContact CB-CE2 3.96Å; I19-F32 HydrophobicContact CB-CZ 4.27Å; I19-F32 HydrophobicContact CG2-CD2 4.49Å; I19-F32 HydrophobicContact CG2-CE2 3.64Å; I19-F32 HydrophobicContact CG2-CZ 4.13Å; A20-F32 HydrophobicContact CB-CD2 4.25Å; A20-F32 HydrophobicContact CB-CE2 3.98Å; I25-F32 HydrophobicContact CG2-CB 3.9Å; P26-F32 VanDerWaalsContact O-CB 3.3Å; P26-F32 WeakPolarHBondContact O-CB 3.31Å; V27-F32 HydrophobicContact CG1-CD1 4.24Å; V27-F32 HydrophobicContact CG1-CE1 3.95Å; V27-F32 HydrophobicContact CG1-CZ 4.25Å; V27-F32 HydrophobicContact CG2-CE2 4.16Å; V27-F32 HydrophobicContact CG2-CZ 4.22Å; D29-F32 WeakPolarHBondContact O-CB 3.48Å; D29-F32 PolarHBondContact O-N 2.73Å; A30-F32 PolarHBondContact O-N 3.05Å; F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 2.85Å; F32-H35 WeakPolarHBondContact O-CB 3.46Å; F32-H35 PolarHBondContact O-N 2.79Å; F32-M36 HydrophobicContact CD1-CG 3.9Å; F32-M36 HydrophobicContact CE1-CG 3.55Å; F32-M36 HydrophobicContact CE1-SD 4.13Å; F32-M36 HydrophobicContact CZ-CG 4.09Å; F32-M36 HydrophobicContact CZ-SD 4.12Å; F32-M36 WeakPolarHBondContact O-CG 3.49Å; F32-M36 PolarHBondContact O-N 3.08Å; F32-Y345 HydrophobicContact CD1-CD2 4.41Å; F32-Y345 AromaticContact CD1-CE2 3.66Å; F32-Y345 HydrophobicContact CD1-CE2 3.66Å; F32-Y345 HydrophobicContact CE1-CD2 4.09Å; F32-Y345 AromaticContact CE1-CE2 3.77Å; F32-Y345 HydrophobicContact CE1-CE2 3.77Å
33A98.5Very high97.5Very high0 Ų050.8 Ų50.80%029%0.287CS..Hα-helixtrans-58.6-43.1176.100000111.7D29 A30 M36 D37 Y345 F415 Y419D29-A33 PolarHBondContact O-N 3.34Å; A30-A33 PolarHBondContact O-N 2.74Å; A33-M36 PolarHBondContact O-N 2.98Å; A33-D37 PolarHBondContact O-N 2.94Å; A33-Y345 HydrophobicContact CB-CE1 4.15Å; A33-F415 HydrophobicContact CB-CB 4.3Å; A33-Y419 HydrophobicContact CB-CG 4.14Å
34K98.3Very high97.6Very high126 Ų12650.3 Ų50.355%0.54829%0.285SS..Hα-helixtrans-62.8-43.8175.2-173.6-178.7176.3-173.20112.3A30 F32 M36 D37 E38A30-K34 PolarHBondContact O-N 2.81Å; F32-K34 VanDerWaalsContact C-N 3.3Å; F32-K34 PolarHBondContact O-N 2.85Å; K34-M36 VanDerWaalsContact C-N 3.33Å; K34-M36 PolarHBondContact O-N 2.91Å; K34-D37 PolarHBondContact O-N 2.98Å; K34-E38 VanDerWaalsContact CE-OE1 3.3Å; K34-E38 WeakPolarHBondContact CE-OE1 3.47Å; K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 3.49Å
35H98.2Very high97.7Very high29 Ų2947.1 Ų47.113%0.13425%0.252CS..Hα-helixtrans-59.3-45.3175.4175.773.8000111.4H23 A31 F32 D37 E38 Q39H23-H35 AromaticContact CD2-NE2 3.74Å; H23-H35 AromaticContact CE1-CE1 3.43Å; H23-H35 PolarHBondContact CE1-CE1 3.01Å; H23-H35 VanDerWaalsContact CE1-CE1 3.43Å; H23-H35 AromaticContact CE1-NE2 3.86Å; H23-H35 AromaticContact ND1-CE1 3.88Å; H23-H35 AromaticContact NE2-CE1 3.54Å; H23-H35 AromaticContact NE2-NE2 3.49Å; H23-H35 PolarHBondContact NE2-NE2 2.88Å; A31-H35 WeakPolarHBondContact O-CB 3.14Å; A31-H35 PolarHBondContact O-N 3.44Å; F32-H35 WeakPolarHBondContact O-CB 3.46Å; F32-H35 PolarHBondContact O-N 2.79Å; H35-D37 VanDerWaalsContact C-N 3.33Å; H35-D37 PolarHBondContact O-N 3.24Å; H35-E38 WeakPolarHBondContact O-CB 3.23Å; H35-E38 PolarHBondContact O-N 2.98Å; H35-E38 VanDerWaalsContact O-N 3.17Å; H35-Q39 WeakPolarHBondContact O-CG 3.47Å; H35-Q39 PolarHBondContact O-N 3.37Å; H35-Q39 VanDerWaalsContact O-N 3.13Å
36M98.4Very high97.8Very high3 Ų347.4 Ų47.42%0.01525%0.25CS..Hα-helixtrans-62.2-38.4177.2-68.4-62.3-60.700112.5M1 F16 I19 F32 A33 K34 Q39 D40 M341 F415M1-M36 HydrophobicContact CE-CE 3.97Å; F16-M36 HydrophobicContact CE1-CE 4.04Å; I19-M36 HydrophobicContact CD1-SD 3.9Å; I19-M36 HydrophobicContact CG2-SD 4.5Å; F32-M36 HydrophobicContact CD1-CG 3.9Å; F32-M36 HydrophobicContact CE1-CG 3.55Å; F32-M36 HydrophobicContact CE1-SD 4.13Å; F32-M36 HydrophobicContact CZ-CG 4.09Å; F32-M36 HydrophobicContact CZ-SD 4.12Å; F32-M36 WeakPolarHBondContact O-CG 3.49Å; F32-M36 PolarHBondContact O-N 3.08Å; A33-M36 PolarHBondContact O-N 2.98Å; K34-M36 VanDerWaalsContact C-N 3.33Å; K34-M36 PolarHBondContact O-N 2.91Å; M36-Q39 PolarHBondContact O-N 3.21Å; M36-D40 PolarHBondContact O-N 3.23Å; M36-D40 VanDerWaalsContact O-N 3.11Å; M36-M341 HydrophobicContact CE-CE 3.87Å; M36-F415 HydrophobicContact CB-CB 3.89Å; M36-F415 HydrophobicContact CB-CD1 3.86Å; M36-F415 HydrophobicContact CB-CD2 3.54Å; M36-F415 HydrophobicContact CB-CE1 4.3Å; M36-F415 HydrophobicContact CB-CE2 4.03Å; M36-F415 HydrophobicContact CB-CG 3.47Å; M36-F415 VanDerWaalsContact CB-CG 3.47Å; M36-F415 HydrophobicContact CB-CZ 4.4Å; M36-F415 HydrophobicContact CE-CD1 4.41Å; M36-F415 HydrophobicContact CE-CE1 3.85Å; M36-F415 HydrophobicContact CE-CE2 4.37Å; M36-F415 HydrophobicContact CE-CZ 3.84Å; M36-F415 HydrophobicContact CG-CD1 4.35Å; M36-F415 HydrophobicContact CG-CG 4.41Å
37D98.5Very high97.9Very high26 Ų2649 Ų4914%0.13926%0.255CS..Hα-helixtrans-64.2-38.6173.6-76.4-17.6000112.4A33 K34 H35 Q39 D40 K43 S414 F415 T416A33-D37 PolarHBondContact O-N 2.94Å; K34-D37 PolarHBondContact O-N 2.98Å; H35-D37 VanDerWaalsContact C-N 3.33Å; H35-D37 PolarHBondContact O-N 3.24Å; D37-Q39 VanDerWaalsContact C-N 3.27Å; D37-Q39 PolarHBondContact O-N 3.39Å; D37-D40 PolarHBondContact O-N 3.3Å; D37-K43 VanDerWaalsContact O-CD 3.31Å; D37-K43 WeakPolarHBondContact O-CD 3.49Å; D37-S414 WeakPolarHBondContact OD1-CB 3.49Å; D37-S414 PolarHBondContact OD1-OG 2.98Å; D37-S414 WeakPolarHBondContact OD2-CB 3.41Å; D37-S414 PolarHBondContact OD2-OG 3.17Å; D37-F415 WeakPolarHBondContact OD1-CB 3.35Å; D37-F415 VanDerWaalsContact OD1-CD2 3.31Å; D37-F415 WeakPolarHBondContact OD1-CD2 3.38Å; D37-F415 PolarHBondContact OD1-N 3.35Å; D37-T416 WeakPolarHBondContact OD2-CB 3.45Å; D37-T416 PolarHBondContact OD2-N 3.41Å; D37-T416 VanDerWaalsContact OD2-N 3.07Å; D37-T416 PolarHBondContact OD2-OG1 3.47Å
38E97.9Very high98Very high98 Ų9852.3 Ų52.346%0.45827%0.27SS..Hα-helixtrans-64.7-34.2177-73.6170.1-175.900112.1K34 H35 K43K34-E38 VanDerWaalsContact CE-OE1 3.3Å; K34-E38 WeakPolarHBondContact CE-OE1 3.47Å; K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 3.49Å; H35-E38 WeakPolarHBondContact O-CB 3.23Å; H35-E38 PolarHBondContact O-N 2.98Å; H35-E38 VanDerWaalsContact O-N 3.17Å; E38-K43 PolarHBondContact O-NZ 2.97Å
39Q96.9Very high98.2Very high105 Ų10550.9 Ų50.949%0.49126%0.261SS..THydrogen-bonded Turntrans-87.7-4179.7-59.9-55.2-5000114.5H35 M36 D37 P41H35-Q39 WeakPolarHBondContact O-CG 3.47Å; H35-Q39 PolarHBondContact O-N 3.37Å; H35-Q39 VanDerWaalsContact O-N 3.13Å; M36-Q39 PolarHBondContact O-N 3.21Å; D37-Q39 VanDerWaalsContact C-N 3.27Å; D37-Q39 PolarHBondContact O-N 3.39Å; Q39-P41 VanDerWaalsContact O-CD 3.31Å; Q39-P41 WeakPolarHBondContact O-CD 3.46Å
40D98.1Very high98.2Very high4 Ų451.1 Ų51.12%0.02126%0.262CS..  trans-76.3113.5178.9174.717.1000111.1M1 M36 D37 L42 K43 K338 F415M1-D40 HydrophobicContact CE-CB 4.25Å; M36-D40 PolarHBondContact O-N 3.23Å; M36-D40 VanDerWaalsContact O-N 3.11Å; D37-D40 PolarHBondContact O-N 3.3Å; D40-L42 PolarHBondContact O-N 2.87Å; D40-L42 PolarHBondContact OD1-N 2.91Å; D40-K43 HydrophobicContact CB-CB 4.2Å; D40-K43 WeakPolarHBondContact O-CB 3.33Å; D40-K43 WeakPolarHBondContact O-CG 3.21Å; D40-K43 PolarHBondContact O-N 3.49Å; D40-K43 PolarHBondContact OD2-N 2.83Å; D40-K338 WeakPolarHBondContact OD2-CD 3.43Å; D40-K338 WeakPolarHBondContact OD2-CE 3.39Å; D40-K338 IonicContact OD2-NZ 3.13Å; D40-K338 PolarHBondContact OD2-NZ 2.94Å; D40-F415 HydrophobicContact CB-CE2 4.45Å
41P98Very high98.3Very high87 Ų8749.9 Ų49.957%0.56525%0.248SC*.THydrogen-bonded Turntrans-64.9-21.7179.427.9-34.6000112.8Q39 H44Q39-P41 VanDerWaalsContact O-CD 3.31Å; Q39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-H44 PolarHBondContact O-CE1 3.15Å; P41-H44 PolarHBondContact O-ND1 2.87Å; P41-H44 VanDerWaalsContact O-ND1 3.09Å
42L98.6Very high98.2Very high13 Ų1349.7 Ų49.77%0.06824%0.243CC..THydrogen-bonded Turntrans-99.310.2-178.5-56.3-175000113.1D40 H44 L45 T330 L335 K338D40-L42 PolarHBondContact O-N 2.87Å; D40-L42 PolarHBondContact OD1-N 2.91Å; L42-H44 PolarHBondContact O-N 2.83Å; L42-H44 VanDerWaalsContact O-N 3.15Å; L42-L45 HydrophobicContact CB-CD1 3.94Å; L42-L45 HydrophobicContact CB-CG 4.33Å; L42-L45 HydrophobicContact CD1-CD1 4.34Å; L42-L45 HydrophobicContact CD2-CD1 4.25Å; L42-L45 HydrophobicContact CG-CD1 4.41Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 3.2Å; L42-T330 WeakPolarHBondContact CD2-OG1 3.35Å; L42-L335 HydrophobicContact CD1-CD2 3.87Å; L42-K338 HydrophobicContact CB-CD 3.93Å; L42-K338 HydrophobicContact CD1-CB 4.21Å; L42-K338 HydrophobicContact CD1-CD 4.25Å
43K98.3Very high98.2Very high111 Ų11153.9 Ų53.948%0.48326%0.259SS..G310 helixtrans-56.9-31.8-179.270.2-171.1178.7-171.30113.4D37 E38 D40 L45 R46D37-K43 VanDerWaalsContact O-CD 3.31Å; D37-K43 WeakPolarHBondContact O-CD 3.49Å; E38-K43 PolarHBondContact O-NZ 2.97Å; D40-K43 HydrophobicContact CB-CB 4.2Å; D40-K43 WeakPolarHBondContact O-CB 3.33Å; D40-K43 WeakPolarHBondContact O-CG 3.21Å; D40-K43 PolarHBondContact O-N 3.49Å; D40-K43 PolarHBondContact OD2-N 2.83Å; K43-L45 PolarHBondContact O-N 3.47Å; K43-R46 WeakPolarHBondContact O-CB 3.41Å; K43-R46 PolarHBondContact O-N 3.18Å
44H98.2Very high98.2Very high76 Ų7654.3 Ų54.335%0.35226%0.261SS..G310 helixtrans-64.5-24.4178.968-84000113.2P41 L42 R46 D47P41-H44 PolarHBondContact O-CE1 3.15Å; P41-H44 PolarHBondContact O-ND1 2.87Å; P41-H44 VanDerWaalsContact O-ND1 3.09Å; L42-H44 PolarHBondContact O-N 2.83Å; L42-H44 VanDerWaalsContact O-N 3.15Å; H44-R46 PolarHBondContact O-N 3.47Å; H44-D47 WeakPolarHBondContact O-CB 3.5Å; H44-D47 PolarHBondContact O-N 3.42Å; H44-D47 VanDerWaalsContact O-N 3.08Å
45L98.7Very high98.1Very high0 Ų055.2 Ų55.20%026%0.261CS..G310 helixtrans-62.9-30179.5-63.2-178000112L42 K43 D47 H48 F49 V326 L329 T330 L335 L411L42-L45 HydrophobicContact CB-CD1 3.94Å; L42-L45 HydrophobicContact CB-CG 4.33Å; L42-L45 HydrophobicContact CD1-CD1 4.34Å; L42-L45 HydrophobicContact CD2-CD1 4.25Å; L42-L45 HydrophobicContact CG-CD1 4.41Å; L42-L45 WeakPolarHBondContact O-CB 3.47Å; L42-L45 PolarHBondContact O-N 3.2Å; K43-L45 PolarHBondContact O-N 3.47Å; L45-D47 PolarHBondContact O-N 3.2Å; L45-H48 WeakPolarHBondContact O-CB 3.29Å; L45-H48 PolarHBondContact O-N 3.07Å; L45-F49 WeakPolarHBondContact O-CD2 3.4Å; L45-V326 HydrophobicContact CD2-CG1 4.5Å; L45-L329 HydrophobicContact CD2-CB 3.79Å; L45-L329 HydrophobicContact CD2-CD1 4.25Å; L45-T330 HydrophobicContact CD1-CG2 3.92Å; L45-L335 HydrophobicContact CD1-CD2 3.91Å; L45-L411 CarbonylContact C-O 3.37Å; L45-L411 VanDerWaalsContact CB-O 3.25Å; L45-L411 WeakPolarHBondContact CB-O 3.49Å; L45-L411 HydrophobicContact CD1-CD2 4.17Å
46R98.3Very high98.1Very high47 Ų4759.2 Ų59.218%0.17728%0.283CS..G310 helixtrans-55.5-35.1174.6165.1157.2-159.6126.5-9.5112.1K43 H44 H48 F49 Y51 E70 L411 Y412 D417K43-R46 WeakPolarHBondContact O-CB 3.41Å; K43-R46 PolarHBondContact O-N 3.18Å; H44-R46 PolarHBondContact O-N 3.47Å; R46-H48 PolarHBondContact O-N 3.11Å; R46-H48 VanDerWaalsContact O-N 3.09Å; R46-F49 PolarHBondContact O-N 3.36Å; R46-F49 VanDerWaalsContact O-N 3.11Å; R46-Y51 WeakPolarHBondContact CD-OH 3.43Å; R46-Y51 HydrophobicContact CG-CE2 3.94Å; R46-Y51 VanDerWaalsContact CG-OH 3.23Å; R46-Y51 WeakPolarHBondContact CG-OH 3.26Å; R46-Y51 VanDerWaalsContact NE-CZ 3.35Å; R46-Y51 PolarHBondContact NE-OH 3.44Å; R46-Y51 PolarHBondContact NH1-OH 2.89Å; R46-Y51 VanDerWaalsContact NH1-OH 3.1Å; R46-E70 IonicContact CZ-OE2 2.9Å; R46-E70 IonicContact NE-OE2 3.9Å; R46-E70 IonicContact NH2-OE2 3.85Å; R46-E70 PolarHBondContact NH2-OE2 2.94Å; R46-L411 PolarHBondContact N-O 2.98Å; R46-Y412 WeakPolarHBondContact CD-O 3.42Å; R46-Y412 PolarHBondContact NH1-O 3.22Å; R46-D417 IonicContact CZ-OD2 2.93Å; R46-D417 IonicContact NH1-OD1 2.67Å; R46-D417 IonicContact NH1-OD2 3.09Å; R46-D417 PolarHBondContact NH1-OD2 3.47Å; R46-D417 IonicContact NH2-OD1 3.64Å
47D98.2Very high98Very high108 Ų10861.4 Ų61.458%0.57830%0.295SS*.G310 helixtrans-68-9.9-178.3-64-33.3000113H44 L45 K84H44-D47 WeakPolarHBondContact O-CB 3.5Å; H44-D47 PolarHBondContact O-N 3.42Å; H44-D47 VanDerWaalsContact O-N 3.08Å; L45-D47 PolarHBondContact O-N 3.2Å; D47-K84 VanDerWaalsContact O-CD 3.24Å; D47-K84 WeakPolarHBondContact O-CD 3.03Å; D47-K84 WeakPolarHBondContact O-CE 3.46Å; D47-K84 PolarHBondContact O-NZ 2.99Å
48H98.6Very high97.7Very high74 Ų7467.8 Ų67.834%0.34333%0.329SS..G310 helixtrans-88.7-2.5175.7-66.1-91.4000113.8L45 R46 P83 K84 V326 L329L45-H48 WeakPolarHBondContact O-CB 3.29Å; L45-H48 PolarHBondContact O-N 3.07Å; R46-H48 PolarHBondContact O-N 3.11Å; R46-H48 VanDerWaalsContact O-N 3.09Å; H48-P83 CarbonylContact O-C 3.58Å; H48-P83 WeakPolarHBondContact O-CA 3.14Å; H48-K84 PolarHBondContact O-N 3.36Å; H48-V326 HydrophobicContact CB-CG1 4.29Å; H48-V326 HydrophobicContact CB-CG2 3.82Å; H48-L329 VanDerWaalsContact CE1-CD1 3.45Å; H48-L329 WeakPolarHBondContact CE1-CD1 3.14Å; H48-L329 WeakPolarHBondContact NE2-CD1 3.33Å
49F98.7Very high97.5Very high5 Ų564.8 Ų64.82%0.02233%0.325CS..EExtended strand (participates in β ladder)trans-113.4153.5-176.6-66.3-84.6000113.3L45 R46 Y51 L81 P83 K84 N257 V326 L411 Y412L45-F49 WeakPolarHBondContact O-CD2 3.4Å; R46-F49 PolarHBondContact O-N 3.36Å; R46-F49 VanDerWaalsContact O-N 3.11Å; F49-Y51 HydrophobicContact CB-CE2 4.19Å; F49-L81 HydrophobicContact CB-CB 4.18Å; F49-L81 HydrophobicContact CB-CD1 4.35Å; F49-L81 HydrophobicContact CD1-CB 3.88Å; F49-L81 HydrophobicContact CG-CB 4.35Å; F49-P83 HydrophobicContact CD1-CG 4.46Å; F49-P83 HydrophobicContact CE1-CG 4.01Å; F49-K84 VanDerWaalsContact O-CE 3.29Å; F49-K84 WeakPolarHBondContact O-CE 3.08Å; F49-N257 HydrophobicContact CE1-CB 3.9Å; F49-N257 VanDerWaalsContact CE1-CG 3.49Å; F49-N257 WeakPolarHBondContact CE1-ND2 3.41Å; F49-V326 HydrophobicContact CE2-CG1 3.86Å; F49-V326 HydrophobicContact CZ-CG1 3.91Å; F49-V326 HydrophobicContact CZ-CG2 4.47Å; F49-L411 HydrophobicContact CE2-CB 3.86Å; F49-L411 HydrophobicContact CZ-CB 3.95Å; F49-L411 HydrophobicContact CZ-CD1 4.16Å; F49-L411 HydrophobicContact CZ-CG 4.47Å; F49-Y412 HydrophobicContact CD1-CD1 4.25Å; F49-Y412 HydrophobicContact CD2-CD1 4.38Å; F49-Y412 HydrophobicContact CD2-CG 4.47Å; F49-Y412 HydrophobicContact CE1-CD1 4.21Å; F49-Y412 HydrophobicContact CE2-CD1 4.33Å; F49-Y412 HydrophobicContact CG-CD1 4.33Å; F49-Y412 HydrophobicContact CG-CG 4.49Å; F49-Y412 HydrophobicContact CZ-CD1 4.25Å
50L98.3Very high97.5Very high75 Ų7560.9 Ų60.939%0.39331%0.307SS..EExtended strand (participates in β ladder)trans-98.5125.4171.2-65.6169000109.4Q82 K84L50-Q82 HydrophobicContact CD1-CB 4.46Å; L50-Q82 HydrophobicContact CD1-CG 4.34Å; L50-Q82 PolarHBondContact N-O 2.89Å; L50-K84 HydrophobicContact CD2-CG 3.81Å; L50-K84 HydrophobicContact CG-CG 3.85Å
51Y98.2Very high97.4Very high18 Ų1863.6 Ų63.67%0.07132%0.322CS..PPolyproline II helixtrans-98.3135.6175.1-66.8-96.3000110.3R46 F49 R53 E70 L81 Y412R46-Y51 WeakPolarHBondContact CD-OH 3.43Å; R46-Y51 HydrophobicContact CG-CE2 3.94Å; R46-Y51 VanDerWaalsContact CG-OH 3.23Å; R46-Y51 WeakPolarHBondContact CG-OH 3.26Å; R46-Y51 VanDerWaalsContact NE-CZ 3.35Å; R46-Y51 PolarHBondContact NE-OH 3.44Å; R46-Y51 PolarHBondContact NH1-OH 2.89Å; R46-Y51 VanDerWaalsContact NH1-OH 3.1Å; F49-Y51 HydrophobicContact CB-CE2 4.19Å; Y51-R53 PolarHBondContact O-N 3.26Å; Y51-E70 WeakPolarHBondContact CD2-OE2 3.28Å; Y51-E70 HydrophobicContact CG-CB 4.27Å; Y51-E70 HydrophobicContact CG-CG 4.22Å; Y51-L81 HydrophobicContact CD1-CD1 3.55Å; Y51-L81 HydrophobicContact CE1-CD1 3.28Å; Y51-L81 HydrophobicContact CE2-CD1 4.29Å; Y51-L81 HydrophobicContact CG-CD1 4.15Å; Y51-Y412 VanDerWaalsContact OH-CB 3.24Å; Y51-Y412 WeakPolarHBondContact OH-CB 3.3Å; Y51-Y412 PolarHBondContact OH-O 2.93Å
52P97.8Very high97.3Very high38 Ų3863.4 Ų63.425%0.24732%0.316CS..PPolyproline II helixtrans-55.8137165.1-22.133.1000110.2L57 A71 Y73P52-L57 HydrophobicContact CB-CD1 4.13Å; P52-L57 HydrophobicContact CB-CD2 3.7Å; P52-L57 HydrophobicContact CB-CG 3.88Å; P52-L57 HydrophobicContact CG-CD2 4.38Å; P52-A71 HydrophobicContact CB-CB 4.44Å; P52-A71 WeakPolarHBondContact O-CB 3.5Å; P52-A71 PolarHBondContact O-N 3.03Å; P52-Y73 HydrophobicContact CG-CD2 4.26Å
53R97.8Very high97.1Very high88 Ų8868 Ų6833%0.33235%0.349SS..BIsolated β-bridgetrans-88.5152.8173.5-58.3-67.5174.7173.3-19.2109.8Y51 R55 D56 S68 E69 E70Y51-R53 PolarHBondContact O-N 3.26Å; R53-R55 HydrophobicContact CB-CG 4.14Å; R53-R55 PolarHBondContact O-N 2.99Å; R53-D56 WeakPolarHBondContact CB-OD2 3.29Å; R53-D56 PolarHBondContact O-N 3.42Å; R53-S68 WeakPolarHBondContact CD-O 3.4Å; R53-S68 PolarHBondContact NH1-O 3.21Å; R53-E69 WeakPolarHBondContact CA-O 3.4Å; R53-E70 VanDerWaalsContact CZ-CG 3.47Å; R53-E70 IonicContact CZ-OE1 2.69Å; R53-E70 VanDerWaalsContact NH1-CG 3.35Å; R53-E70 IonicContact NH1-OE1 3.84Å; R53-E70 IonicContact NH2-OE1 3.72Å; R53-E70 PolarHBondContact NH2-OE1 2.84Å
54M97.6Very high96.7Very high10 Ų1066.1 Ų66.15%0.04936%0.355CS..G310 helixtrans-51.7-43.2179.7-65.1-50.5-171.900112.4D56 L57 V60 L62 V65 D66 E69 E70 A71 G393M54-D56 VanDerWaalsContact C-N 3.26Å; M54-D56 PolarHBondContact O-N 3.21Å; M54-L57 PolarHBondContact O-N 3.21Å; M54-V60 HydrophobicContact CB-CG1 4.23Å; M54-L62 HydrophobicContact CB-CD2 4.42Å; M54-V65 HydrophobicContact CB-CG2 3.94Å; M54-V65 HydrophobicContact CG-CB 4.47Å; M54-V65 HydrophobicContact CG-CG2 4.01Å; M54-D66 WeakPolarHBondContact CB-O 3.43Å; M54-D66 VanDerWaalsContact CG-O 3.23Å; M54-D66 WeakPolarHBondContact CG-O 3.21Å; M54-E69 HydrophobicContact CG-CB 4.3Å; M54-E69 WeakPolarHBondContact CG-O 3.34Å; M54-E69 PolarHBondContact N-O 2.57Å; M54-E70 WeakPolarHBondContact CE-O 3.29Å; M54-A71 HydrophobicContact SD-CB 4.31Å; M54-G393 VanDerWaalsContact SD-CA 3.56Å
55R97.1Very high96.5Very high145 Ų14564.2 Ų64.255%0.54735%0.348SS..G310 helixtrans-62.2-24.3177.870.7-173.2-177.7-170.2-2.6115.9R53 E67R53-R55 HydrophobicContact CB-CG 4.14Å; R53-R55 PolarHBondContact O-N 2.99Å; R55-E67 HydrophobicContact CB-CB 4.09Å; R55-E67 WeakPolarHBondContact CB-O 3.29Å; R55-E67 PolarHBondContact N-O 3.32Å; R55-E67 VanDerWaalsContact N-O 3.09Å
56D97.2Very high96.4Very high112 Ų11268.2 Ų68.260%0.59937%0.369SS*.G310 helixtrans-96.1-6-173.1-60.6-45.6000112.1R53 M54R53-D56 WeakPolarHBondContact CB-OD2 3.29Å; R53-D56 PolarHBondContact O-N 3.42Å; M54-D56 VanDerWaalsContact C-N 3.26Å; M54-D56 PolarHBondContact O-N 3.21Å
57L96.2Very high96.2Very high49 Ų4971 Ų7126%0.25738%0.384SS..SBendtrans-98.3133.5-177.2-73.6-179.8000112.3P52 M54 V60 A71 V395P52-L57 HydrophobicContact CB-CD1 4.13Å; P52-L57 HydrophobicContact CB-CD2 3.7Å; P52-L57 HydrophobicContact CB-CG 3.88Å; P52-L57 HydrophobicContact CG-CD2 4.38Å; M54-L57 PolarHBondContact O-N 3.21Å; L57-V60 HydrophobicContact CB-CG2 3.53Å; L57-V60 HydrophobicContact CD1-CG2 4.33Å; L57-A71 HydrophobicContact CD1-CB 3.35Å; L57-V395 HydrophobicContact CD1-CG2 3.93Å
58D93.2Very high96.1Very high161 Ų16168.8 Ų68.886%0.86138%0.377SS*.THydrogen-bonded Turntrans-68.5140.5174.1-175.335.3000112.1V60D58-V60 VanDerWaalsContact C-N 3.3Å; D58-V60 PolarHBondContact O-N 3.07Å
59G93.7Very high96Very high35 Ų3568.8 Ų68.836%0.36138%0.378SS..THydrogen-bonded Turntrans77.71.9178.900000116.1K391G59-K391 VanDerWaalsContact O-CA 3.32Å; G59-K391 WeakPolarHBondContact O-CA 3.38Å; G59-K391 PolarHBondContact O-N 2.86Å
60V96.7Very high95.9Very high22 Ų2271.2 Ų71.213%0.13339%0.389CS..  trans-72.6134.6172.7179.30000110.4M54 L57 D58 L62 V65 K390M54-V60 HydrophobicContact CB-CG1 4.23Å; L57-V60 HydrophobicContact CB-CG2 3.53Å; L57-V60 HydrophobicContact CD1-CG2 4.33Å; D58-V60 VanDerWaalsContact C-N 3.3Å; D58-V60 PolarHBondContact O-N 3.07Å; V60-L62 HydrophobicContact CB-CD2 4.48Å; V60-L62 HydrophobicContact CG1-CD2 3.93Å; V60-L62 PolarHBondContact O-N 2.81Å; V60-V65 HydrophobicContact CG1-CG2 3.55Å; V60-K390 WeakPolarHBondContact CG2-O 3.38Å
61D96.2Very high95.9Very high62 Ų6267.7 Ų67.733%0.33237%0.371SS..  trans-88.991.8174.7-176.6-5.4000109.6S63 A64 V65 K391D61-S63 PolarHBondContact O-N 2.84Å; D61-S63 VanDerWaalsContact O-N 3.07Å; D61-S63 WeakPolarHBondContact OD1-CB 3.26Å; D61-S63 PolarHBondContact OD1-N 3.02Å; D61-S63 VanDerWaalsContact OD1-N 3.14Å; D61-S63 PolarHBondContact OD1-OG 3.48Å; D61-A64 HydrophobicContact CB-CB 4.32Å; D61-A64 PolarHBondContact O-N 2.83Å; D61-V65 PolarHBondContact O-N 2.76Å; D61-K391 HydrophobicContact CB-CB 4.03Å; D61-K391 HydrophobicContact CB-CG 4.21Å; D61-K391 PolarHBondContact N-O 3.15Å
62L95.3Very high95.9Very high82 Ų8267.5 Ų67.543%0.42937%0.371SS..THydrogen-bonded Turntrans-64.3-10.3-177.8-58.6179.3000113.9M54 V60 A64 V65 E67M54-L62 HydrophobicContact CB-CD2 4.42Å; V60-L62 HydrophobicContact CB-CD2 4.48Å; V60-L62 HydrophobicContact CG1-CD2 3.93Å; V60-L62 PolarHBondContact O-N 2.81Å; L62-A64 VanDerWaalsContact C-N 3.3Å; L62-V65 HydrophobicContact CD2-CG2 4.38Å; L62-E67 HydrophobicContact CD2-CB 4.12Å
63S95.2Very high95.9Very high110 Ų11066.9 Ų66.977%0.76936%0.364SS*.THydrogen-bonded Turntrans-79.5-15.8171.476.20000113.1D61D61-S63 PolarHBondContact O-N 2.84Å; D61-S63 VanDerWaalsContact O-N 3.07Å; D61-S63 WeakPolarHBondContact OD1-CB 3.26Å; D61-S63 PolarHBondContact OD1-N 3.02Å; D61-S63 VanDerWaalsContact OD1-N 3.14Å; D61-S63 PolarHBondContact OD1-OG 3.48Å
64A90.3Very high96Very high72 Ų7262.8 Ų62.860%0.59535%0.348SS*.THydrogen-bonded Turntrans-113.4-5.2-17400000114D61 L62D61-A64 HydrophobicContact CB-CB 4.32Å; D61-A64 PolarHBondContact O-N 2.83Å; L62-A64 VanDerWaalsContact C-N 3.3Å
65V93.9Very high95.9Very high35 Ų3562.9 Ų62.921%0.21235%0.35CS..SBendtrans-135.8158.5-179.1-56.80000111.2M54 V60 D61 L62 E67M54-V65 HydrophobicContact CB-CG2 3.94Å; M54-V65 HydrophobicContact CG-CB 4.47Å; M54-V65 HydrophobicContact CG-CG2 4.01Å; V60-V65 HydrophobicContact CG1-CG2 3.55Å; D61-V65 PolarHBondContact O-N 2.76Å; L62-V65 HydrophobicContact CD2-CG2 4.38Å; V65-E67 PolarHBondContact O-N 3.35Å
66D95.4Very high96Very high84 Ų8456 Ų5645%0.44932%0.324SS..  trans-72.7117.4167.2-175.1-29000109.4M54 S68 E69M54-D66 WeakPolarHBondContact CB-O 3.43Å; M54-D66 VanDerWaalsContact CG-O 3.23Å; M54-D66 WeakPolarHBondContact CG-O 3.21Å; D66-S68 PolarHBondContact O-N 3.18Å; D66-S68 VanDerWaalsContact O-N 3.14Å; D66-S68 WeakPolarHBondContact OD1-CB 3.34Å; D66-S68 PolarHBondContact OD1-N 3.14Å; D66-S68 PolarHBondContact OD1-OG 3.47Å; D66-E69 HydrophobicContact CB-CB 4.31Å; D66-E69 HydrophobicContact CB-CG 3.93Å; D66-E69 PolarHBondContact O-N 3.47Å
67E95.4Very high96Very high105 Ų10550.7 Ų50.749%0.49130%0.296SS..THydrogen-bonded Turntrans-61.4-22.4-176.972.4168.7-163.800113.8R55 L62 V65R55-E67 HydrophobicContact CB-CB 4.09Å; R55-E67 WeakPolarHBondContact CB-O 3.29Å; R55-E67 PolarHBondContact N-O 3.32Å; R55-E67 VanDerWaalsContact N-O 3.09Å; L62-E67 HydrophobicContact CD2-CB 4.12Å; V65-E67 PolarHBondContact O-N 3.35Å
68S95.7Very high95.9Very high62 Ų6250.9 Ų50.943%0.43430%0.301SS..THydrogen-bonded Turntrans-91.2-13.7-177.376.60000113.8R53 D66R53-S68 WeakPolarHBondContact CD-O 3.4Å; R53-S68 PolarHBondContact NH1-O 3.21Å; D66-S68 PolarHBondContact O-N 3.18Å; D66-S68 VanDerWaalsContact O-N 3.14Å; D66-S68 WeakPolarHBondContact OD1-CB 3.34Å; D66-S68 PolarHBondContact OD1-N 3.14Å; D66-S68 PolarHBondContact OD1-OG 3.47Å
69E96.5Very high96.1Very high74 Ų7446 Ų4635%0.34628%0.275SS..SBendtrans-69.5157.4177.6-83-163.9-156.400112.4R53 M54 D66 R420R53-E69 WeakPolarHBondContact CA-O 3.4Å; M54-E69 HydrophobicContact CG-CB 4.3Å; M54-E69 WeakPolarHBondContact CG-O 3.34Å; M54-E69 PolarHBondContact N-O 2.57Å; D66-E69 HydrophobicContact CB-CB 4.31Å; D66-E69 HydrophobicContact CB-CG 3.93Å; D66-E69 PolarHBondContact O-N 3.47Å; E69-R420 IonicContact OE1-NH2 3.98Å; E69-R420 IonicContact OE2-CZ 3.25Å; E69-R420 IonicContact OE2-NH1 3.79Å; E69-R420 PolarHBondContact OE2-NH1 3.3Å; E69-R420 IonicContact OE2-NH2 3.65Å; E69-R420 PolarHBondContact OE2-NH2 2.87Å; E69-R420 VanDerWaalsContact OE2-NH2 3.09Å
70E97.4Very high96.3Very high56 Ų5644.7 Ų44.726%0.26226%0.261SS..BIsolated β-bridgetrans-76.9141172.4-62.5-176162.900110.5R46 Y51 R53 M54R46-E70 IonicContact CZ-OE2 2.9Å; R46-E70 IonicContact NE-OE2 3.9Å; R46-E70 IonicContact NH2-OE2 3.85Å; R46-E70 PolarHBondContact NH2-OE2 2.94Å; Y51-E70 WeakPolarHBondContact CD2-OE2 3.28Å; Y51-E70 HydrophobicContact CG-CB 4.27Å; Y51-E70 HydrophobicContact CG-CG 4.22Å; R53-E70 VanDerWaalsContact CZ-CG 3.47Å; R53-E70 IonicContact CZ-OE1 2.69Å; R53-E70 VanDerWaalsContact NH1-CG 3.35Å; R53-E70 IonicContact NH1-OE1 3.84Å; R53-E70 IonicContact NH2-OE1 3.72Å; R53-E70 PolarHBondContact NH2-OE1 2.84Å; M54-E70 WeakPolarHBondContact CE-O 3.29Å
71A97.4Very high96.4Very high2 Ų243.9 Ų43.92%0.01726%0.256CS..PPolyproline II helixtrans-66.2149.8171.100000112P52 M54 L57 Y73 G393 V395P52-A71 HydrophobicContact CB-CB 4.44Å; P52-A71 WeakPolarHBondContact O-CB 3.5Å; P52-A71 PolarHBondContact O-N 3.03Å; M54-A71 HydrophobicContact SD-CB 4.31Å; L57-A71 HydrophobicContact CD1-CB 3.35Å; A71-Y73 PolarHBondContact O-N 3.46Å; A71-Y73 VanDerWaalsContact O-N 3.11Å; A71-G393 WeakPolarHBondContact CA-O 3.38Å; A71-G393 WeakPolarHBondContact CB-O 3.4Å; A71-V395 HydrophobicContact CB-CG2 4.46Å
72I97.9Very high96.5Very high14 Ų1445.2 Ų45.27%0.07226%0.26CS..EExtended strand (participates in β ladder)trans-80.895.4171.4-60.2159.2000107.3L74 G393 I394 V395 D417 R420 F421I72-L74 HydrophobicContact CG2-CD1 3.9Å; I72-L74 HydrophobicContact CG2-CG 4.11Å; I72-G393 PolarHBondContact N-O 3.22Å; I72-I394 HydrophobicContact CB-CG1 4.13Å; I72-I394 HydrophobicContact CD1-CD1 4.33Å; I72-I394 HydrophobicContact CD1-CG1 3.75Å; I72-V395 PolarHBondContact O-N 3.09Å; I72-D417 HydrophobicContact CG2-CB 4.42Å; I72-R420 HydrophobicContact CD1-CB 3.56Å; I72-R420 HydrophobicContact CG1-CB 4.34Å; I72-F421 HydrophobicContact CG2-CB 4.28Å
73Y98.4Very high96.7Very high25 Ų2541.3 Ų41.310%0.09824%0.24CC..EExtended strand (participates in β ladder)trans-96.5103.4-171.8-164.7-88.5000112.2P52 A71 C75 L79 L81 V395 Y412 N413P52-Y73 HydrophobicContact CG-CD2 4.26Å; A71-Y73 PolarHBondContact O-N 3.46Å; A71-Y73 VanDerWaalsContact O-N 3.11Å; Y73-C75 HydrophobicContact CE1-CB 4.21Å; Y73-L79 VanDerWaalsContact CE1-O 3.32Å; Y73-L79 WeakPolarHBondContact CE1-O 3.46Å; Y73-L79 PolarHBondContact OH-O 2.66Å; Y73-L81 HydrophobicContact CD1-CD1 4.32Å; Y73-L81 HydrophobicContact CD1-CD2 3.52Å; Y73-L81 HydrophobicContact CD1-CG 3.71Å; Y73-L81 HydrophobicContact CD2-CD2 3.9Å; Y73-L81 HydrophobicContact CE1-CD2 3.74Å; Y73-L81 HydrophobicContact CE1-CG 4.02Å; Y73-L81 HydrophobicContact CE2-CD2 4.1Å; Y73-L81 HydrophobicContact CG-CD2 3.6Å; Y73-L81 HydrophobicContact CG-CG 4.19Å; Y73-V395 HydrophobicContact CD2-CB 3.98Å; Y73-V395 HydrophobicContact CD2-CG1 4.06Å; Y73-V395 HydrophobicContact CD2-CG2 4.3Å; Y73-V395 HydrophobicContact CE2-CB 4.41Å; Y73-V395 HydrophobicContact CE2-CG1 3.97Å; Y73-Y412 HydrophobicContact CD1-CE2 4.14Å; Y73-N413 PolarHBondContact O-ND2 3.32Å; Y73-N413 PolarHBondContact O-OD1 3.35Å
74L98.5Very high96.9Very high1 Ų141.3 Ų41.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-12232.1-177-61.5171.5000111.8I72 V395 V406 T407 P408 N413 F421I72-L74 HydrophobicContact CG2-CD1 3.9Å; I72-L74 HydrophobicContact CG2-CG 4.11Å; L74-V395 CarbonylContact C-O 3.55Å; L74-V395 WeakPolarHBondContact CA-O 3.35Å; L74-V395 PolarHBondContact N-O 2.87Å; L74-V406 HydrophobicContact CB-CG1 4.15Å; L74-V406 HydrophobicContact CD1-CG1 3.72Å; L74-V406 HydrophobicContact CG-CG1 4.44Å; L74-T407 CarbonylContact C-O 3.42Å; L74-T407 WeakPolarHBondContact O-CB 3.38Å; L74-T407 PolarHBondContact O-N 2.97Å; L74-P408 HydrophobicContact CD2-CB 4.01Å; L74-N413 HydrophobicContact CD2-CB 4.44Å; L74-F421 HydrophobicContact CD1-CB 3.49Å; L74-F421 VanDerWaalsContact CD1-CB 3.49Å; L74-F421 HydrophobicContact CD1-CD1 4.26Å; L74-F421 HydrophobicContact CD1-CD2 3.77Å; L74-F421 HydrophobicContact CD1-CG 3.55Å
75C97.6Very high97.2Very high13 Ų1340.6 Ų40.69%0.08821%0.212CC..BIsolated β-bridgetrans-117.524.8-172.5-158.10000113.2Y73 N77 S78 L79 V395Y73-C75 HydrophobicContact CE1-CB 4.21Å; C75-N77 PolarHBondContact O-N 3.04Å; C75-N77 PolarHBondContact O-OD1 2.9Å; C75-S78 WeakPolarHBondContact O-CB 3.35Å; C75-S78 PolarHBondContact O-N 2.84Å; C75-L79 PolarHBondContact O-N 2.95Å; C75-L79 VanDerWaalsContact O-N 3.12Å; C75-V395 HydrophobicContact CB-CG1 3.89Å; C75-V395 PolarHBondContact N-O 3.37Å
76G97.6Very high97.4Very high0 Ų039.3 Ų39.30%021%0.205CC..THydrogen-bonded Turntrans-63.6-23.5-178.300000114.9S78 K254 Y412G76-S78 PolarHBondContact O-N 3.33Å; G76-K254 CarbonylContact O-C 3.52Å; G76-K254 WeakPolarHBondContact O-CA 3.49Å; G76-K254 WeakPolarHBondContact O-CB 3.43Å; G76-Y412 WeakPolarHBondContact CA-OH 3.25Å
77N96.9Very high97.6Very high1 Ų141.3 Ų41.31%0.00521%0.209CC..THydrogen-bonded Turntrans-66-16.5170.563.5-23.2000113.3C75 H231 K254 Y255 Q373 R405 T407C75-N77 PolarHBondContact O-N 3.04Å; C75-N77 PolarHBondContact O-OD1 2.9Å; N77-H231 PolarHBondContact O-CE1 3.42Å; N77-K254 VanDerWaalsContact O-CD 3.28Å; N77-K254 WeakPolarHBondContact O-CD 3.39Å; N77-K254 WeakPolarHBondContact O-CE 3.32Å; N77-Y255 WeakPolarHBondContact CB-OH 3.41Å; N77-Q373 PolarHBondContact ND2-OE1 3.31Å; N77-R405 WeakPolarHBondContact ND2-CB 3.46Å; N77-R405 PolarHBondContact ND2-NE 3.35Å; N77-R405 PolarHBondContact ND2-NH2 2.56Å; N77-T407 HydrophobicContact CB-CG2 4.08Å; N77-T407 PolarHBondContact ND2-OG1 3.26Å; N77-T407 PolarHBondContact OD1-OG1 2.98Å
78S95.2Very high97.7Very high52 Ų5241.5 Ų41.536%0.36421%0.21SC..THydrogen-bonded Turntrans-101-54.4173.5-170.40000111C75 G76 Y253C75-S78 WeakPolarHBondContact O-CB 3.35Å; C75-S78 PolarHBondContact O-N 2.84Å; G76-S78 PolarHBondContact O-N 3.33Å; S78-Y253 WeakPolarHBondContact O-CD2 3.48Å; S78-Y253 WeakPolarHBondContact O-CE2 3.39Å
79L97.2Very high97.9Very high59 Ų5938.8 Ų38.831%0.30919%0.19SC..  trans-150.6123.6177.8178.262.1000108.8Y73 C75 Y253 C260Y73-L79 VanDerWaalsContact CE1-O 3.32Å; Y73-L79 WeakPolarHBondContact CE1-O 3.46Å; Y73-L79 PolarHBondContact OH-O 2.66Å; C75-L79 PolarHBondContact O-N 2.95Å; C75-L79 VanDerWaalsContact O-N 3.12Å; L79-Y253 HydrophobicContact CD1-CD2 4.49Å; L79-Y253 WeakPolarHBondContact CD1-O 3.41Å; L79-C260 HydrophobicContact CD1-CB 4.42Å
80G98.2Very high97.9Very high7 Ų737.1 Ų37.17%0.07219%0.185CC..PPolyproline II helixtrans-70155.2175.400000112.4Y253 K254 N257G80-Y253 PolarHBondContact N-O 3.21Å; G80-K254 VanDerWaalsContact CA-O 3.3Å; G80-K254 WeakPolarHBondContact CA-O 3.29Å; G80-K254 PolarHBondContact N-O 3.44Å; G80-N257 WeakPolarHBondContact CA-ND2 3.33Å
81L98.6Very high98Very high6 Ų638.8 Ų38.83%0.03119%0.193CC..PPolyproline II helixtrans-61.7150.1172-68.5-178.1000112F49 Y51 Y73 P83 N257 Y412F49-L81 HydrophobicContact CB-CB 4.18Å; F49-L81 HydrophobicContact CB-CD1 4.35Å; F49-L81 HydrophobicContact CD1-CB 3.88Å; F49-L81 HydrophobicContact CG-CB 4.35Å; Y51-L81 HydrophobicContact CD1-CD1 3.55Å; Y51-L81 HydrophobicContact CE1-CD1 3.28Å; Y51-L81 HydrophobicContact CE2-CD1 4.29Å; Y51-L81 HydrophobicContact CG-CD1 4.15Å; Y73-L81 HydrophobicContact CD1-CD1 4.32Å; Y73-L81 HydrophobicContact CD1-CD2 3.52Å; Y73-L81 HydrophobicContact CD1-CG 3.71Å; Y73-L81 HydrophobicContact CD2-CD2 3.9Å; Y73-L81 HydrophobicContact CE1-CD2 3.74Å; Y73-L81 HydrophobicContact CE1-CG 4.02Å; Y73-L81 HydrophobicContact CE2-CD2 4.1Å; Y73-L81 HydrophobicContact CG-CD2 3.6Å; Y73-L81 HydrophobicContact CG-CG 4.19Å; L81-P83 WeakPolarHBondContact O-CD 3.45Å; L81-N257 PolarHBondContact N-ND2 2.86Å; L81-N257 WeakPolarHBondContact O-CB 2.99Å; L81-N257 PolarHBondContact O-ND2 3.47Å; L81-Y412 HydrophobicContact CB-CD1 4.38Å; L81-Y412 HydrophobicContact CB-CE1 4.35Å; L81-Y412 HydrophobicContact CD1-CD1 4.42Å; L81-Y412 HydrophobicContact CD1-CD2 3.56Å; L81-Y412 HydrophobicContact CD1-CE2 3.86Å; L81-Y412 HydrophobicContact CD1-CG 3.87Å; L81-Y412 HydrophobicContact CG-CD2 4.18Å; L81-Y412 HydrophobicContact CG-CE1 4.42Å; L81-Y412 HydrophobicContact CG-CE2 4.01Å; L81-Y412 HydrophobicContact CG-CG 4.45Å
82Q98.5Very high98Very high89 Ų8941.4 Ų41.442%0.41620%0.203SC..EExtended strand (participates in β ladder)trans-74.4125.7179.7-174.7-176.122.700110.9L50 T86L50-Q82 HydrophobicContact CD1-CB 4.46Å; L50-Q82 HydrophobicContact CD1-CG 4.34Å; L50-Q82 PolarHBondContact N-O 2.89Å; Q82-T86 HydrophobicContact CG-CG2 4.19Å
83P98.7Very high98Very high1 Ų140.9 Ų40.91%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-63.6136.3167.8-20.932.5000110.7H48 F49 L81 N85 T86 N257 A322 V326H48-P83 CarbonylContact O-C 3.58Å; H48-P83 WeakPolarHBondContact O-CA 3.14Å; F49-P83 HydrophobicContact CD1-CG 4.46Å; F49-P83 HydrophobicContact CE1-CG 4.01Å; L81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-N85 PolarHBondContact O-N 2.85Å; P83-N85 VanDerWaalsContact O-N 3.12Å; P83-T86 WeakPolarHBondContact CD-OG1 3.37Å; P83-T86 WeakPolarHBondContact O-CB 3.12Å; P83-T86 PolarHBondContact O-N 3.3Å; P83-T86 PolarHBondContact O-OG1 3.39Å; P83-N257 WeakPolarHBondContact CD-O 3.47Å; P83-N257 HydrophobicContact CG-CB 4.04Å; P83-A322 HydrophobicContact CB-CB 4.01Å; P83-A322 HydrophobicContact CG-CB 4.38Å; P83-V326 HydrophobicContact CB-CG2 4.25Å
84K98.7Very high98Very high110 Ų11043.2 Ų43.248%0.47821%0.213SC..THydrogen-bonded Turntrans-54-36.3-175.6-75.8-178.6-179.71710113.5D47 H48 F49 L50 T86D47-K84 VanDerWaalsContact O-CD 3.24Å; D47-K84 WeakPolarHBondContact O-CD 3.03Å; D47-K84 WeakPolarHBondContact O-CE 3.46Å; D47-K84 PolarHBondContact O-NZ 2.99Å; H48-K84 PolarHBondContact O-N 3.36Å; F49-K84 VanDerWaalsContact O-CE 3.29Å; F49-K84 WeakPolarHBondContact O-CE 3.08Å; L50-K84 HydrophobicContact CD2-CG 3.81Å; L50-K84 HydrophobicContact CG-CG 3.85Å; K84-T86 PolarHBondContact O-N 3.19Å
85N98Very high98Very high57 Ų5747.4 Ų47.431%0.30524%0.236SC..THydrogen-bonded Turntrans-73.8-10.6-178-158.635.2000114P83 K87 H88 L89 A322 Q325P83-N85 PolarHBondContact O-N 2.85Å; P83-N85 VanDerWaalsContact O-N 3.12Å; N85-K87 VanDerWaalsContact C-N 3.33Å; N85-K87 PolarHBondContact O-N 3.14Å; N85-H88 PolarHBondContact O-N 3.32Å; N85-L89 PolarHBondContact O-N 3.17Å; N85-L89 VanDerWaalsContact O-N 3.15Å; N85-A322 HydrophobicContact CB-CB 4.45Å; N85-Q325 PolarHBondContact ND2-OE1 3.29Å
86T98.5Very high98Very high8 Ų847.7 Ų47.75%0.04924%0.236CC..Hα-helixtrans-56.3-46.6-177.7-57.80000112Q82 P83 K84 H88 L89 V90 P319 A322Q82-T86 HydrophobicContact CG-CG2 4.19Å; P83-T86 WeakPolarHBondContact CD-OG1 3.37Å; P83-T86 WeakPolarHBondContact O-CB 3.12Å; P83-T86 PolarHBondContact O-N 3.3Å; P83-T86 PolarHBondContact O-OG1 3.39Å; K84-T86 PolarHBondContact O-N 3.19Å; T86-H88 PolarHBondContact O-N 2.98Å; T86-L89 PolarHBondContact O-N 3.41Å; T86-V90 HydrophobicContact CG2-CG2 4.43Å; T86-V90 WeakPolarHBondContact O-CG2 3.49Å; T86-V90 PolarHBondContact O-N 2.73Å; T86-P319 HydrophobicContact CG2-CB 3.87Å; T86-P319 HydrophobicContact CG2-CG 3.79Å; T86-A322 WeakPolarHBondContact OG1-CB 3.24Å
87K98.2Very high98.1Very high126 Ų12655.2 Ų55.255%0.54826%0.264SS..Hα-helixtrans-58.9-48.4-178.9177.9177.7173.8179.70111.3N85 L89 V90 E91N85-K87 VanDerWaalsContact C-N 3.33Å; N85-K87 PolarHBondContact O-N 3.14Å; K87-L89 VanDerWaalsContact C-N 3.35Å; K87-L89 PolarHBondContact O-N 3.38Å; K87-V90 PolarHBondContact O-N 2.98Å; K87-E91 VanDerWaalsContact CE-CD 3.46Å; K87-E91 WeakPolarHBondContact CE-OE1 3.31Å; K87-E91 HydrophobicContact CG-CG 4.31Å; K87-E91 IonicContact NZ-OE1 3.25Å; K87-E91 WeakPolarHBondContact O-CB 3.39Å; K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.18Å
88H98.4Very high98.1Very high109 Ų10959.4 Ų59.451%0.50530%0.299SS..Hα-helixtrans-59.7-44.3-179.5176.463.4000112.1N85 T86 E91 R92N85-H88 PolarHBondContact O-N 3.32Å; T86-H88 PolarHBondContact O-N 2.98Å; H88-E91 PolarHBondContact O-N 3.23Å; H88-R92 WeakPolarHBondContact O-CB 3.5Å; H88-R92 PolarHBondContact O-N 2.87Å
89L98.3Very high98.3Very high4 Ų464.6 Ų64.62%0.02132%0.315CS..Hα-helixtrans-64.8-42177.9-66.8176.2000112.2N85 T86 K87 R92 E93 C318 L321 A322N85-L89 PolarHBondContact O-N 3.17Å; N85-L89 VanDerWaalsContact O-N 3.15Å; T86-L89 PolarHBondContact O-N 3.41Å; K87-L89 VanDerWaalsContact C-N 3.35Å; K87-L89 PolarHBondContact O-N 3.38Å; L89-R92 PolarHBondContact O-N 2.68Å; L89-E93 WeakPolarHBondContact O-CG 3.33Å; L89-E93 PolarHBondContact O-N 3.24Å; L89-C318 HydrophobicContact CB-CB 3.82Å; L89-C318 WeakPolarHBondContact CD1-O 3.49Å; L89-L321 HydrophobicContact CD1-CB 4.11Å; L89-L321 HydrophobicContact CD1-CD2 4.08Å; L89-L321 HydrophobicContact CD1-CG 4.06Å; L89-L321 HydrophobicContact CD2-CD2 4.34Å; L89-A322 HydrophobicContact CD1-CB 3.92Å
90V98.2Very high98.3Very high39 Ų3965.3 Ų65.324%0.23632%0.318CS..Hα-helixtrans-64.6-47.9177.2172.30000111T86 K87 R92 E93 L94 C318T86-V90 HydrophobicContact CG2-CG2 4.43Å; T86-V90 WeakPolarHBondContact O-CG2 3.49Å; T86-V90 PolarHBondContact O-N 2.73Å; K87-V90 PolarHBondContact O-N 2.98Å; V90-R92 VanDerWaalsContact C-N 3.3Å; V90-R92 PolarHBondContact O-N 3.17Å; V90-E93 PolarHBondContact O-N 3.46Å; V90-L94 HydrophobicContact CG1-CD1 4.06Å; V90-L94 HydrophobicContact CG1-CG 4.39Å; V90-L94 WeakPolarHBondContact O-CG 3.26Å; V90-L94 PolarHBondContact O-N 2.8Å; V90-C318 HydrophobicContact CG2-CB 3.71Å
91E98.4Very high98.3Very high91 Ų9166.3 Ų66.343%0.42533%0.328SS..Hα-helixtrans-59.7-41178.3-73.5176158.500111.7K87 H88 E93 L94 D95K87-E91 VanDerWaalsContact CE-CD 3.46Å; K87-E91 WeakPolarHBondContact CE-OE1 3.31Å; K87-E91 HydrophobicContact CG-CG 4.31Å; K87-E91 IonicContact NZ-OE1 3.25Å; K87-E91 WeakPolarHBondContact O-CB 3.39Å; K87-E91 WeakPolarHBondContact O-CG 3.35Å; K87-E91 PolarHBondContact O-N 3.18Å; H88-E91 PolarHBondContact O-N 3.23Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E91-E93 PolarHBondContact O-N 3.15Å; E91-L94 PolarHBondContact O-N 2.84Å; E91-D95 WeakPolarHBondContact O-CB 3.46Å; E91-D95 PolarHBondContact O-N 2.91Å
92R98Very high98.2Very high58 Ų5871.6 Ų71.622%0.21936%0.36CS..Hα-helixtrans-57.5-45.1175-174.4-172.4751776.9112.2H88 L89 V90 K96 E109H88-R92 WeakPolarHBondContact O-CB 3.5Å; H88-R92 PolarHBondContact O-N 2.87Å; L89-R92 PolarHBondContact O-N 2.68Å; V90-R92 VanDerWaalsContact C-N 3.3Å; V90-R92 PolarHBondContact O-N 3.17Å; R92-K96 WeakPolarHBondContact O-CB 3.33Å; R92-K96 PolarHBondContact O-N 3.09Å; R92-E109 IonicContact CZ-OE2 3.57Å; R92-E109 IonicContact NH1-OE2 3.13Å; R92-E109 PolarHBondContact NH1-OE2 3.32Å
93E98.4Very high98.2Very high2 Ų273.7 Ų73.71%0.00937%0.37CS..Hα-helixtrans-73.5-31.8-179.6-62.1-49.2133.400112.6L89 V90 E91 K96 W97 M110 W112 L315 C318L89-E93 WeakPolarHBondContact O-CG 3.33Å; L89-E93 PolarHBondContact O-N 3.24Å; V90-E93 PolarHBondContact O-N 3.46Å; E91-E93 VanDerWaalsContact C-N 3.34Å; E91-E93 PolarHBondContact O-N 3.15Å; E93-K96 PolarHBondContact O-N 3.22Å; E93-K96 WeakPolarHBondContact OE2-CE 3.39Å; E93-K96 IonicContact OE2-NZ 3.64Å; E93-K96 PolarHBondContact OE2-NZ 3.16Å; E93-W97 PolarHBondContact O-N 3.21Å; E93-M110 HydrophobicContact CG-SD 4.21Å; E93-W112 PolarHBondContact OE2-NE1 3.26Å; E93-L315 HydrophobicContact CB-CD2 3.92Å; E93-C318 VanDerWaalsContact CG-SG 3.54Å
94L98.3Very high98.2Very high74 Ų7473.6 Ų73.639%0.38737%0.37SS..Hα-helixtrans-64.7-45.3171.1-69.2174.9000111.6V90 E91 K96 W97 A98 L315V90-L94 HydrophobicContact CG1-CD1 4.06Å; V90-L94 HydrophobicContact CG1-CG 4.39Å; V90-L94 WeakPolarHBondContact O-CG 3.26Å; V90-L94 PolarHBondContact O-N 2.8Å; E91-L94 PolarHBondContact O-N 2.84Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.03Å; L94-W97 HydrophobicContact CD2-CE3 4.5Å; L94-W97 WeakPolarHBondContact O-CB 3.19Å; L94-W97 PolarHBondContact O-N 3.08Å; L94-W97 VanDerWaalsContact O-N 3.15Å; L94-A98 PolarHBondContact O-N 3.06Å; L94-L315 HydrophobicContact CD2-CD1 4.07Å; L94-L315 HydrophobicContact CD2-CD2 4.18Å; L94-L315 HydrophobicContact CG-CD2 4.4Å
95D98.3Very high98.1Very high90 Ų9071.6 Ų71.648%0.48136%0.362SS..Hα-helixtrans-61.1-42174.5-86.40.8000111.7E91 W97 A98 K99E91-D95 WeakPolarHBondContact O-CB 3.46Å; E91-D95 PolarHBondContact O-N 2.91Å; D95-W97 VanDerWaalsContact C-N 3.29Å; D95-W97 PolarHBondContact O-N 3.07Å; D95-A98 PolarHBondContact O-N 3.27Å; D95-K99 WeakPolarHBondContact O-CB 3.1Å; D95-K99 WeakPolarHBondContact O-CD 3.17Å; D95-K99 VanDerWaalsContact O-CG 3.3Å; D95-K99 WeakPolarHBondContact O-CG 3.37Å; D95-K99 PolarHBondContact O-N 3.28Å; D95-K99 IonicContact OD2-NZ 3.1Å
96K98.3Very high98.1Very high18 Ų1877.9 Ų77.98%0.07839%0.386CS..Hα-helixtrans-59.8-43.2174.5-168.8179.176.3-176.90110.6R92 E93 L94 K99 M100 G104 A107 M110 W112R92-K96 WeakPolarHBondContact O-CB 3.33Å; R92-K96 PolarHBondContact O-N 3.09Å; E93-K96 PolarHBondContact O-N 3.22Å; E93-K96 WeakPolarHBondContact OE2-CE 3.39Å; E93-K96 IonicContact OE2-NZ 3.64Å; E93-K96 PolarHBondContact OE2-NZ 3.16Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.03Å; K96-K99 PolarHBondContact O-N 3.16Å; K96-M100 HydrophobicContact CD-SD 4.29Å; K96-M100 HydrophobicContact CG-CG 4.25Å; K96-M100 HydrophobicContact CG-SD 3.67Å; K96-M100 VanDerWaalsContact O-CB 3.31Å; K96-M100 WeakPolarHBondContact O-CB 3.17Å; K96-M100 PolarHBondContact O-N 2.81Å; K96-G104 PolarHBondContact NZ-O 2.92Å; K96-A107 PolarHBondContact NZ-O 3.08Å; K96-M110 PolarHBondContact NZ-O 2.83Å; K96-W112 HydrophobicContact CB-CZ2 4.5Å; K96-W112 HydrophobicContact CG-CZ2 4.47Å; K96-W112 VanDerWaalsContact NZ-CD1 3.34Å
97W98.1Very high98Very high158 Ų15878.6 Ų78.660%0.59839%0.393SS*.Hα-helixtrans-64.3-44.4178.7-173.425.6000112.8E93 L94 D95 K99 G101 W112E93-W97 PolarHBondContact O-N 3.21Å; L94-W97 HydrophobicContact CD2-CE3 4.5Å; L94-W97 WeakPolarHBondContact O-CB 3.19Å; L94-W97 PolarHBondContact O-N 3.08Å; L94-W97 VanDerWaalsContact O-N 3.15Å; D95-W97 VanDerWaalsContact C-N 3.29Å; D95-W97 PolarHBondContact O-N 3.07Å; W97-K99 VanDerWaalsContact C-N 3.26Å; W97-K99 PolarHBondContact O-N 2.7Å; W97-G101 PolarHBondContact O-N 2.58Å; W97-W112 HydrophobicContact CB-CH2 3.62Å; W97-W112 HydrophobicContact CB-CZ2 3.78Å; W97-W112 AromaticContact CD1-CH2 3.62Å; W97-W112 AromaticContact CG-CH2 3.8Å; W97-W112 HydrophobicContact CG-CH2 3.8Å; W97-W112 HydrophobicContact CG-CZ2 4.37Å
98A98.3Very high97.8Very high90 Ų9075.2 Ų75.274%0.74439%0.394SS*.Hα-helixtrans-59.2-37.2175.600000112.7L94 D95L94-A98 PolarHBondContact O-N 3.06Å; D95-A98 PolarHBondContact O-N 3.27Å
99K98.2Very high97.6Very high161 Ų16177.2 Ų77.270%0.740%0.404SS*.Hα-helixtrans-85.7-34.5-175.8-69.7166.7-174.51620114D95 K96 W97D95-K99 WeakPolarHBondContact O-CB 3.1Å; D95-K99 WeakPolarHBondContact O-CD 3.17Å; D95-K99 VanDerWaalsContact O-CG 3.3Å; D95-K99 WeakPolarHBondContact O-CG 3.37Å; D95-K99 PolarHBondContact O-N 3.28Å; D95-K99 IonicContact OD2-NZ 3.1Å; K96-K99 PolarHBondContact O-N 3.16Å; W97-K99 VanDerWaalsContact C-N 3.26Å; W97-K99 PolarHBondContact O-N 2.7Å
100M97.9Very high97.5Very high73 Ų7377 Ų7736%0.3640%0.403SS..Hα-helixtrans-118.4-15.9-165.1-55.2-172.9107.100113.9K96 V102 Q103 A107K96-M100 HydrophobicContact CD-SD 4.29Å; K96-M100 HydrophobicContact CG-CG 4.25Å; K96-M100 HydrophobicContact CG-SD 3.67Å; K96-M100 VanDerWaalsContact O-CB 3.31Å; K96-M100 WeakPolarHBondContact O-CB 3.17Å; K96-M100 PolarHBondContact O-N 2.81Å; M100-V102 PolarHBondContact O-N 3.26Å; M100-Q103 HydrophobicContact CB-CB 4.22Å; M100-Q103 WeakPolarHBondContact O-CB 3.21Å; M100-Q103 PolarHBondContact O-N 3.46Å; M100-A107 HydrophobicContact CE-CB 3.8Å; M100-A107 HydrophobicContact SD-CB 3.88Å
101G97.6Very high97.5Very high28 Ų2876.6 Ų76.629%0.28940%0.401SS..G310 helixtrans50.3-128.8-176.700000111.8W97 Q103 G104 W112W97-G101 PolarHBondContact O-N 2.58Å; G101-Q103 PolarHBondContact O-N 2.98Å; G101-Q103 VanDerWaalsContact O-N 3.13Å; G101-G104 PolarHBondContact O-N 2.75Å; G101-W112 VanDerWaalsContact O-CZ3 3.26Å; G101-W112 WeakPolarHBondContact O-CZ3 3.28Å
102V97.6Very high97.5Very high117 Ų11773.3 Ų73.371%0.70938%0.384SS*.G310 helixtrans-57.8-25.7179.770.50000113.9M100 G104 H105M100-V102 PolarHBondContact O-N 3.26Å; V102-G104 PolarHBondContact O-N 3.46Å; V102-H105 PolarHBondContact O-CD2 3.05Å; V102-H105 PolarHBondContact O-N 3.08Å
103Q98.2Very high97.4Very high133 Ų13371.5 Ų71.562%0.62138%0.382SS*.G310 helixtrans-66.8-19.6179-62.4-178.3-29.300112.2M100 G101 H105 K106 A107M100-Q103 HydrophobicContact CB-CB 4.22Å; M100-Q103 WeakPolarHBondContact O-CB 3.21Å; M100-Q103 PolarHBondContact O-N 3.46Å; G101-Q103 PolarHBondContact O-N 2.98Å; G101-Q103 VanDerWaalsContact O-N 3.13Å; Q103-H105 PolarHBondContact O-N 3.45Å; Q103-H105 VanDerWaalsContact O-N 3.14Å; Q103-K106 PolarHBondContact O-N 3.43Å; Q103-A107 VanDerWaalsContact O-CB 3.3Å; Q103-A107 WeakPolarHBondContact O-CB 3.49Å; Q103-A107 PolarHBondContact O-N 3.46Å
104G98Very high97.3Very high0 Ų076.2 Ų76.20%040%0.404CS..G310 helixtrans-60.8-19.3175.100000114.5K96 G101 V102 K106 W112K96-G104 PolarHBondContact NZ-O 2.92Å; G101-G104 PolarHBondContact O-N 2.75Å; V102-G104 PolarHBondContact O-N 3.46Å; G104-K106 PolarHBondContact O-N 2.94Å; G104-W112 PolarHBondContact O-N 2.91Å
105H97.6Very high97.3Very high68 Ų6872.7 Ų72.732%0.31539%0.386SS..G310 helixtrans-61.1-29172.3-72.8-65.2000113.3V102 Q103 P111 W112 A113 H311V102-H105 PolarHBondContact O-CD2 3.05Å; V102-H105 PolarHBondContact O-N 3.08Å; Q103-H105 PolarHBondContact O-N 3.45Å; Q103-H105 VanDerWaalsContact O-N 3.14Å; H105-P111 CarbonylContact O-C 3.27Å; H105-P111 WeakPolarHBondContact O-CB 3.01Å; H105-W112 PolarHBondContact O-N 2.89Å; H105-A113 HydrophobicContact CB-CB 4.41Å; H105-A113 WeakPolarHBondContact O-CB 3.24Å; H105-A113 PolarHBondContact O-N 3.21Å; H105-H311 AromaticContact CE1-CD2 3.82Å; H105-H311 AromaticContact CE1-NE2 3.22Å; H105-H311 PolarHBondContact CE1-NE2 3.25Å; H105-H311 AromaticContact ND1-CD2 3.82Å; H105-H311 AromaticContact ND1-CE1 3.88Å; H105-H311 AromaticContact ND1-NE2 2.96Å; H105-H311 PolarHBondContact ND1-NE2 3.24Å
106K96.8Very high97.2Very high188 Ų18868.4 Ų68.482%0.81736%0.363SS*.THydrogen-bonded Turntrans-119.9-1.9-175.5-60.1-173.3-179.8-173.90113.8Q103 G104Q103-K106 PolarHBondContact O-N 3.43Å; G104-K106 PolarHBondContact O-N 2.94Å
107A95.9Very high97.2Very high23 Ų2370.6 Ų70.619%0.1938%0.375CS..  trans-118.4157.7-169.700000113.5K96 M100 Q103K96-A107 PolarHBondContact NZ-O 3.08Å; M100-A107 HydrophobicContact CE-CB 3.8Å; M100-A107 HydrophobicContact SD-CB 3.88Å; Q103-A107 VanDerWaalsContact O-CB 3.3Å; Q103-A107 WeakPolarHBondContact O-CB 3.49Å; Q103-A107 PolarHBondContact O-N 3.46Å
108G94.2Very high97.2Very high55 Ų5567 Ų6757%0.56737%0.367SS*.SBendtrans80-177.8178.400000113.2M110 P111G108-M110 PolarHBondContact O-N 3.07Å; G108-P111 WeakPolarHBondContact O-CD 3.09Å
109E94.1Very high97.2Very high152 Ų15262.8 Ų62.871%0.7133%0.332SS*.SBendtrans-67.1-23-179.7-66175.2-152.500113.5R92R92-E109 IonicContact CZ-OE2 3.57Å; R92-E109 IonicContact NH1-OE2 3.13Å; R92-E109 PolarHBondContact NH1-OE2 3.32Å
110M97.2Very high97.2Very high0 Ų055.6 Ų55.60%030%0.301CS..SBendtrans-124.677.7177-177.3-175.9-7000110.4E93 K96 G108 W112 C115 L118 A317 L321E93-M110 HydrophobicContact CG-SD 4.21Å; K96-M110 PolarHBondContact NZ-O 2.83Å; G108-M110 PolarHBondContact O-N 3.07Å; M110-W112 PolarHBondContact O-N 3.01Å; M110-C115 HydrophobicContact CG-CB 3.52Å; M110-C115 HydrophobicContact SD-CB 4.07Å; M110-L118 HydrophobicContact CB-CD1 4.03Å; M110-L118 HydrophobicContact CG-CD1 3.89Å; M110-A317 HydrophobicContact CE-CB 4.49Å; M110-A317 HydrophobicContact SD-CB 4.13Å; M110-L321 HydrophobicContact CE-CB 4.23Å; M110-L321 HydrophobicContact CE-CD2 3.35Å; M110-L321 HydrophobicContact CE-CG 4.41Å
111P97.8Very high97.2Very high30 Ų3057.3 Ų57.320%0.19531%0.312CS..  trans-55.5123.2172.7-23.134.4000110.2H105 G108 A113 E114 C115H105-P111 CarbonylContact O-C 3.27Å; H105-P111 WeakPolarHBondContact O-CB 3.01Å; G108-P111 WeakPolarHBondContact O-CD 3.09Å; P111-A113 VanDerWaalsContact C-N 3.26Å; P111-A113 PolarHBondContact O-N 3.24Å; P111-E114 CarbonylContact O-C 3.59Å; P111-E114 PolarHBondContact O-N 3.3Å; P111-C115 PolarHBondContact O-N 2.94Å
112W98.1Very high97.2Very high22 Ų2256.4 Ų56.48%0.08330%0.302CS..G310 helixtrans-67-26.5-170-56.2-33.4000113.8E93 K96 W97 G101 G104 H105 M110 E114 C115 H311 P312 A314E93-W112 PolarHBondContact OE2-NE1 3.26Å; K96-W112 HydrophobicContact CB-CZ2 4.5Å; K96-W112 HydrophobicContact CG-CZ2 4.47Å; K96-W112 VanDerWaalsContact NZ-CD1 3.34Å; W97-W112 HydrophobicContact CB-CH2 3.62Å; W97-W112 HydrophobicContact CB-CZ2 3.78Å; W97-W112 AromaticContact CD1-CH2 3.62Å; W97-W112 AromaticContact CG-CH2 3.8Å; W97-W112 HydrophobicContact CG-CH2 3.8Å; W97-W112 HydrophobicContact CG-CZ2 4.37Å; G101-W112 VanDerWaalsContact O-CZ3 3.26Å; G101-W112 WeakPolarHBondContact O-CZ3 3.28Å; G104-W112 PolarHBondContact O-N 2.91Å; H105-W112 PolarHBondContact O-N 2.89Å; M110-W112 PolarHBondContact O-N 3.01Å; W112-E114 PolarHBondContact O-N 3.13Å; W112-C115 PolarHBondContact O-SG 3.06Å; W112-C115 VanDerWaalsContact O-SG 3.37Å; W112-H311 PolarHBondContact O-CE1 3.12Å; W112-H311 PolarHBondContact O-NE2 2.95Å; W112-P312 WeakPolarHBondContact O-CG 3.46Å; W112-A314 HydrophobicContact CB-CB 3.8Å; W112-A314 HydrophobicContact CG-CB 3.64Å
113A96.7Very high97.3Very high20 Ų2050.8 Ų50.817%0.16527%0.268CS..G310 helixtrans-68.8-19.9179.300000113.4H105 P111 W284H105-A113 HydrophobicContact CB-CB 4.41Å; H105-A113 WeakPolarHBondContact O-CB 3.24Å; H105-A113 PolarHBondContact O-N 3.21Å; P111-A113 VanDerWaalsContact C-N 3.26Å; P111-A113 PolarHBondContact O-N 3.24Å; A113-W284 PolarHBondContact O-NE1 3.28Å
114E96.2Very high97.3Very high101 Ų10144.6 Ų44.647%0.47224%0.24SC..G310 helixtrans-13113.5-172.8-65.6177.4-178.600112.1P111 W112 D116 L117P111-E114 CarbonylContact O-C 3.59Å; P111-E114 PolarHBondContact O-N 3.3Å; W112-E114 PolarHBondContact O-N 3.13Å; E114-D116 PolarHBondContact O-N 3.14Å; E114-D116 VanDerWaalsContact O-N 3.15Å; E114-L117 HydrophobicContact CB-CD1 4.03Å; E114-L117 HydrophobicContact CB-CG 4.36Å; E114-L117 HydrophobicContact CG-CD1 4.16Å; E114-L117 WeakPolarHBondContact O-CB 3.43Å; E114-L117 PolarHBondContact O-N 3.2Å
115C97.8Very high97.3Very high0 Ų051 Ų510%027%0.27CS..THydrogen-bonded Turntrans-64.5-23.4-174.163.60000113M110 P111 W112 L117 P312 A317M110-C115 HydrophobicContact CG-CB 3.52Å; M110-C115 HydrophobicContact SD-CB 4.07Å; P111-C115 PolarHBondContact O-N 2.94Å; W112-C115 PolarHBondContact O-SG 3.06Å; W112-C115 VanDerWaalsContact O-SG 3.37Å; C115-L117 VanDerWaalsContact C-N 3.34Å; C115-P312 VanDerWaalsContact SG-CG 3.59Å; C115-A317 HydrophobicContact CB-CB 4.19Å
116D97.5Very high97.4Very high0 Ų048.2 Ų48.20%026%0.257CS..THydrogen-bonded Turntrans-65.1-35.4171.859.2-45000112.4E114 L118 L119 V136 R308 P312E114-D116 PolarHBondContact O-N 3.14Å; E114-D116 VanDerWaalsContact O-N 3.15Å; D116-L118 VanDerWaalsContact C-N 3.27Å; D116-L118 PolarHBondContact O-N 3.06Å; D116-L119 WeakPolarHBondContact O-CB 3.26Å; D116-L119 PolarHBondContact O-N 2.96Å; D116-L119 VanDerWaalsContact O-N 3.11Å; D116-V136 HydrophobicContact CB-CB 4.17Å; D116-R308 IonicContact OD1-NH1 2.64Å; D116-R308 WeakPolarHBondContact OD2-CD 3.26Å; D116-R308 IonicContact OD2-CZ 3.65Å; D116-R308 IonicContact OD2-NE 3.8Å; D116-R308 IonicContact OD2-NH1 2.95Å; D116-R308 PolarHBondContact OD2-NH1 3.3Å; D116-P312 HydrophobicContact CB-CB 3.86Å; D116-P312 HydrophobicContact CB-CG 4.27Å
117L97.3Very high97.5Very high63 Ų6339.3 Ų39.333%0.3322%0.218SC..Hα-helixtrans-65.1-31.4-179.7-57.6-175.4000112.2E114 C115 L119 V120 L305E114-L117 HydrophobicContact CB-CD1 4.03Å; E114-L117 HydrophobicContact CB-CG 4.36Å; E114-L117 HydrophobicContact CG-CD1 4.16Å; E114-L117 WeakPolarHBondContact O-CB 3.43Å; E114-L117 PolarHBondContact O-N 3.2Å; C115-L117 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.4Å; L117-L119 VanDerWaalsContact O-N 3.1Å; L117-V120 PolarHBondContact O-N 3.22Å; L117-L305 HydrophobicContact CD2-CD1 3.91Å; L117-L305 HydrophobicContact CD2-CD2 3.73Å
118L97.6Very high97.6Very high84 Ų8439.6 Ų39.644%0.4422%0.224SC..Hα-helixtrans-65.4-12.6176.6-60.3175.6000113.6M110 D116M110-L118 HydrophobicContact CB-CD1 4.03Å; M110-L118 HydrophobicContact CG-CD1 3.89Å; D116-L118 VanDerWaalsContact C-N 3.27Å; D116-L118 PolarHBondContact O-N 3.06Å
119L98.4Very high97.8Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-103.1-17.3-176.2-53.7170.1000111.7D116 L117 Q123 V136 A317 M320 L321 L324D116-L119 WeakPolarHBondContact O-CB 3.26Å; D116-L119 PolarHBondContact O-N 2.96Å; D116-L119 VanDerWaalsContact O-N 3.11Å; L117-L119 PolarHBondContact O-N 3.4Å; L117-L119 VanDerWaalsContact O-N 3.1Å; L119-Q123 VanDerWaalsContact O-CG 3.28Å; L119-Q123 WeakPolarHBondContact O-CG 3.29Å; L119-Q123 PolarHBondContact O-N 3.01Å; L119-Q123 VanDerWaalsContact O-N 3.11Å; L119-V136 HydrophobicContact CB-CG2 3.9Å; L119-V136 HydrophobicContact CD1-CG1 3.99Å; L119-A317 HydrophobicContact CD1-CB 3.92Å; L119-M320 HydrophobicContact CB-SD 3.99Å; L119-M320 HydrophobicContact CD1-CB 4.23Å; L119-M320 HydrophobicContact CD1-CG 4.34Å; L119-M320 HydrophobicContact CD1-SD 3.66Å; L119-M320 HydrophobicContact CD2-CB 4.13Å; L119-M320 HydrophobicContact CD2-CG 4.17Å; L119-M320 HydrophobicContact CD2-SD 4.33Å; L119-M320 HydrophobicContact CG-SD 4.2Å; L119-L321 HydrophobicContact CD2-CB 3.95Å; L119-L321 HydrophobicContact CD2-CD1 4.45Å; L119-L324 HydrophobicContact CB-CD1 4.21Å; L119-L324 HydrophobicContact CD2-CD1 3.96Å
120V98.4Very high98.1Very high11 Ų1135.5 Ų35.57%0.06719%0.188CC..Hα-helixtrans-59.7-52.3-171.5168.70000111.9L117 G122 Q123 A124 T131 I134L117-V120 PolarHBondContact O-N 3.22Å; V120-G122 PolarHBondContact O-N 3.24Å; V120-Q123 PolarHBondContact O-N 3.19Å; V120-Q123 VanDerWaalsContact O-N 3.15Å; V120-A124 WeakPolarHBondContact O-CB 3.46Å; V120-A124 PolarHBondContact O-N 3.3Å; V120-T131 HydrophobicContact CG1-CG2 4.36Å; V120-T131 VanDerWaalsContact CG1-O 3.28Å; V120-T131 WeakPolarHBondContact CG1-O 3.43Å; V120-I134 HydrophobicContact CB-CG2 4.48Å; V120-I134 HydrophobicContact CG1-CB 4.11Å; V120-I134 HydrophobicContact CG1-CG2 4.1Å; V120-I134 HydrophobicContact CG2-CG2 4.44Å
121D98.4Very high98.1Very high109 Ų10939 Ų3958%0.58321%0.21SC*.Hα-helixtrans-59-46.5-175.7-65-8.4000112.2Q123 A124 E125 T131D121-Q123 VanDerWaalsContact C-N 3.33Å; D121-Q123 PolarHBondContact O-N 2.95Å; D121-A124 PolarHBondContact O-N 3.37Å; D121-E125 WeakPolarHBondContact O-CB 3.37Å; D121-E125 PolarHBondContact O-N 3.16Å; D121-T131 WeakPolarHBondContact OD1-CG2 3.48Å
122G98.4Very high98.1Very high8 Ų841 Ų418%0.08222%0.219CC..Hα-helixtrans-67.8-33.1179.400000112.9V120 I126V120-G122 PolarHBondContact O-N 3.24Å; G122-I126 WeakPolarHBondContact O-CD1 3.03Å; G122-I126 VanDerWaalsContact O-CG1 3.24Å; G122-I126 WeakPolarHBondContact O-CG1 3.12Å; G122-I126 PolarHBondContact O-N 3.22Å
123Q98.7Very high98.1Very high0 Ų040 Ų400%022%0.215CC..Hα-helixtrans-70.5-43.4173.3-68.4-60.4-49.700111.4L119 V120 D121 E125 I126 V127 I134 V136 W250 V265 M320L119-Q123 VanDerWaalsContact O-CG 3.28Å; L119-Q123 WeakPolarHBondContact O-CG 3.29Å; L119-Q123 PolarHBondContact O-N 3.01Å; L119-Q123 VanDerWaalsContact O-N 3.11Å; V120-Q123 PolarHBondContact O-N 3.19Å; V120-Q123 VanDerWaalsContact O-N 3.15Å; D121-Q123 VanDerWaalsContact C-N 3.33Å; D121-Q123 PolarHBondContact O-N 2.95Å; Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.24Å; Q123-I126 PolarHBondContact O-N 3.23Å; Q123-V127 WeakPolarHBondContact O-CG2 3.1Å; Q123-V127 PolarHBondContact O-N 2.94Å; Q123-I134 HydrophobicContact CB-CG2 4.1Å; Q123-V136 HydrophobicContact CG-CG2 4.24Å; Q123-W250 HydrophobicContact CB-CZ2 4.47Å; Q123-V265 HydrophobicContact CB-CG1 4.31Å; Q123-V265 HydrophobicContact CG-CG1 4.46Å; Q123-V265 HydrophobicContact CG-CG2 3.9Å; Q123-M320 HydrophobicContact CG-SD 4.29Å
124A98.8Very high98.2Very high3 Ų339 Ų393%0.02521%0.207CC..Hα-helixtrans-58.9-44.1177.700000111.5V120 D121 V127 G128 A129 T131 I134V120-A124 WeakPolarHBondContact O-CB 3.46Å; V120-A124 PolarHBondContact O-N 3.3Å; D121-A124 PolarHBondContact O-N 3.37Å; A124-V127 PolarHBondContact O-N 3.31Å; A124-G128 WeakPolarHBondContact O-CA 3.47Å; A124-G128 PolarHBondContact O-N 3.06Å; A124-A129 PolarHBondContact O-N 2.96Å; A124-T131 HydrophobicContact CB-CG2 4.13Å; A124-I134 HydrophobicContact CB-CG1 3.93Å
125E98.6Very high98.3Very high134 Ų13434.2 Ų34.263%0.62619%0.185SC*.Hα-helixtrans-59.9-47.9175.9-174-179.9167.500112.1D121 Q123 V127 G128D121-E125 WeakPolarHBondContact O-CB 3.37Å; D121-E125 PolarHBondContact O-N 3.16Å; Q123-E125 VanDerWaalsContact C-N 3.32Å; Q123-E125 PolarHBondContact O-N 3.24Å; E125-V127 VanDerWaalsContact C-N 3.27Å; E125-V127 PolarHBondContact O-N 2.72Å; E125-G128 PolarHBondContact O-N 2.93Å
126I98.7Very high98.4Very high10 Ų1034.3 Ų34.35%0.05119%0.185CC..Hα-helixtrans-61.4-35.2-178.2-73.1169.6000112.4G122 Q123 L256 L324 F327 M332G122-I126 WeakPolarHBondContact O-CD1 3.03Å; G122-I126 VanDerWaalsContact O-CG1 3.24Å; G122-I126 WeakPolarHBondContact O-CG1 3.12Å; G122-I126 PolarHBondContact O-N 3.22Å; Q123-I126 PolarHBondContact O-N 3.23Å; I126-L256 HydrophobicContact CD1-CD2 3.79Å; I126-L256 HydrophobicContact CG2-CD2 4.17Å; I126-L324 HydrophobicContact CD1-CD2 3.66Å; I126-F327 HydrophobicContact CD1-CB 4.16Å; I126-F327 HydrophobicContact CD1-CD1 3.81Å; I126-F327 HydrophobicContact CD1-CD2 4.19Å; I126-F327 HydrophobicContact CD1-CE1 4.25Å; I126-F327 HydrophobicContact CD1-CG 3.78Å; I126-F327 HydrophobicContact CG1-CD1 4.08Å; I126-F327 HydrophobicContact CG1-CG 4.43Å; I126-M332 HydrophobicContact CG2-SD 4.31Å
127V98.8Very high98.4Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-101.50.5-176.8-54.30000114.4Q123 A124 E125 A129 I134 A233 L238 K239 L240 W250Q123-V127 WeakPolarHBondContact O-CG2 3.1Å; Q123-V127 PolarHBondContact O-N 2.94Å; A124-V127 PolarHBondContact O-N 3.31Å; E125-V127 VanDerWaalsContact C-N 3.27Å; E125-V127 PolarHBondContact O-N 2.72Å; V127-A129 HydrophobicContact CG2-CB 3.69Å; V127-I134 HydrophobicContact CG2-CD1 4.02Å; V127-A233 HydrophobicContact CG1-CB 4.26Å; V127-L238 CarbonylContact C-O 3.55Å; V127-L238 HydrophobicContact CB-CB 4.38Å; V127-L238 HydrophobicContact CB-CD1 4.26Å; V127-L238 HydrophobicContact CG1-CD1 4.01Å; V127-L238 CarbonylContact O-C 3.51Å; V127-L238 VanDerWaalsContact O-C 3.31Å; V127-K239 PolarHBondContact O-N 2.55Å; V127-L240 HydrophobicContact CB-CD1 3.77Å; V127-L240 HydrophobicContact CB-CG 4.11Å; V127-L240 HydrophobicContact CG2-CD1 3.75Å; V127-L240 HydrophobicContact CG2-CG 4.34Å; V127-L240 WeakPolarHBondContact O-CG 3.16Å; V127-L240 PolarHBondContact O-N 3.35Å; V127-W250 HydrophobicContact CB-CH2 4.22Å; V127-W250 HydrophobicContact CB-CZ2 4.37Å; V127-W250 HydrophobicContact CG1-CD2 4.4Å; V127-W250 HydrophobicContact CG1-CH2 3.75Å; V127-W250 HydrophobicContact CG1-CZ2 3.52Å; V127-W250 HydrophobicContact CG1-CZ3 4.25Å; V127-W250 HydrophobicContact CG2-CH2 3.68Å; V127-W250 HydrophobicContact CG2-CZ2 4Å; V127-W250 HydrophobicContact CG2-CZ3 4.49Å
128G98.6Very high98.3Very high29 Ų2933.9 Ų33.930%0.29918%0.183SC..THydrogen-bonded Turntrans58.748.6-175.400000112.7A124 E125 K239 L240 H241A124-G128 WeakPolarHBondContact O-CA 3.47Å; A124-G128 PolarHBondContact O-N 3.06Å; E125-G128 PolarHBondContact O-N 2.93Å; G128-K239 CarbonylContact O-C 3.55Å; G128-L240 PolarHBondContact O-N 2.81Å; G128-H241 WeakPolarHBondContact O-CB 3.43Å; G128-H241 PolarHBondContact O-N 2.84Å; G128-H241 VanDerWaalsContact O-N 3.12Å
129A98.8Very high98.2Very high17 Ų1732.3 Ų32.314%0.1418%0.179CC..  trans-111.6167.1174.900000111.2A124 V127 I134 F267A124-A129 PolarHBondContact O-N 2.96Å; V127-A129 HydrophobicContact CG2-CB 3.69Å; A129-I134 HydrophobicContact CB-CD1 3.85Å; A129-I134 HydrophobicContact CB-CG1 3.95Å; A129-F267 HydrophobicContact CB-CD2 3.56Å; A129-F267 HydrophobicContact CB-CE2 3.5Å; A129-F267 VanDerWaalsContact CB-CE2 3.5Å
130R98.5Very high98.2Very high104 Ų10433.1 Ų33.139%0.39218%0.184SC..  trans-82.7157.6164.3-57.1-174.9-176.1167.213.6110.7D132 E133 I134 H241 E270R130-D132 VanDerWaalsContact C-N 3.33Å; R130-D132 WeakPolarHBondContact CB-OD1 3.23Å; R130-D132 PolarHBondContact O-N 2.94Å; R130-E133 HydrophobicContact CB-CG 4.09Å; R130-E133 WeakPolarHBondContact CB-OE2 3.26Å; R130-E133 PolarHBondContact N-OE2 2.76Å; R130-E133 WeakPolarHBondContact O-CB 3.42Å; R130-E133 PolarHBondContact O-N 3.17Å; R130-I134 WeakPolarHBondContact O-CG1 3.46Å; R130-H241 VanDerWaalsContact CZ-NE2 3.31Å; R130-H241 PolarHBondContact NE-CE1 3.31Å; R130-H241 PolarHBondContact NE-NE2 3.38Å; R130-H241 VanDerWaalsContact NE-NE2 3.14Å; R130-H241 PolarHBondContact NH2-CE1 2.98Å; R130-H241 PolarHBondContact NH2-NE2 3.19Å; R130-E270 IonicContact CZ-OE1 3.07Å; R130-E270 IonicContact CZ-OE2 2.9Å; R130-E270 IonicContact NH1-OE1 3.7Å; R130-E270 PolarHBondContact NH1-OE1 2.85Å; R130-E270 IonicContact NH1-OE2 2.88Å; R130-E270 PolarHBondContact NH1-OE2 3.12Å; R130-E270 IonicContact NH2-OE1 3.99Å; R130-E270 PolarHBondContact NH2-OE1 3.04Å
131T98.3Very high98Very high74 Ų7436.8 Ų36.845%0.45421%0.206SC..G310 helixtrans-67.7-33.2-176.152.20000112.6V120 D121 A124 E133 I134V120-T131 HydrophobicContact CG1-CG2 4.36Å; V120-T131 VanDerWaalsContact CG1-O 3.28Å; V120-T131 WeakPolarHBondContact CG1-O 3.43Å; D121-T131 WeakPolarHBondContact OD1-CG2 3.48Å; A124-T131 HydrophobicContact CB-CG2 4.13Å; T131-E133 PolarHBondContact O-N 2.61Å; T131-I134 PolarHBondContact O-N 2.79Å
132D97.7Very high97.9Very high73 Ų7334.8 Ų34.839%0.3920%0.197SC..G310 helixtrans-73.7-11.8175.661.2-35.9000113.7R130 G303 C304R130-D132 VanDerWaalsContact C-N 3.33Å; R130-D132 WeakPolarHBondContact CB-OD1 3.23Å; R130-D132 PolarHBondContact O-N 2.94Å; D132-G303 WeakPolarHBondContact O-CA 3.49Å; D132-C304 WeakPolarHBondContact O-CB 3.32Å; D132-C304 PolarHBondContact O-N 3.44Å
133E98.7Very high97.9Very high0 Ų034.4 Ų34.40%019%0.193CC..G310 helixtrans-90.1-3.7174.8-61.7176.5135.200112.6R130 T131 H241 F267 V268 H269 E270 C304R130-E133 HydrophobicContact CB-CG 4.09Å; R130-E133 WeakPolarHBondContact CB-OE2 3.26Å; R130-E133 PolarHBondContact N-OE2 2.76Å; R130-E133 WeakPolarHBondContact O-CB 3.42Å; R130-E133 PolarHBondContact O-N 3.17Å; T131-E133 PolarHBondContact O-N 2.61Å; E133-H241 VanDerWaalsContact CD-ND1 3.32Å; E133-H241 IonicContact OE1-CE1 2.82Å; E133-H241 IonicContact OE1-CG 4Å; E133-H241 IonicContact OE1-ND1 2.75Å; E133-H241 PolarHBondContact OE1-ND1 3.45Å; E133-H241 IonicContact OE2-CG 3.81Å; E133-H241 IonicContact OE2-ND1 2.84Å; E133-H241 PolarHBondContact OE2-ND1 2.84Å; E133-H241 VanDerWaalsContact OE2-ND1 3.1Å; E133-F267 HydrophobicContact CB-CD2 3.74Å; E133-F267 HydrophobicContact CB-CE2 3.52Å; E133-F267 HydrophobicContact CB-CZ 4.47Å; E133-F267 HydrophobicContact CG-CE2 4.17Å; E133-F267 CarbonylContact O-C 3.58Å; E133-F267 VanDerWaalsContact O-CA 3.22Å; E133-F267 WeakPolarHBondContact O-CA 3.37Å; E133-F267 WeakPolarHBondContact OE2-CE2 3.38Å; E133-V268 WeakPolarHBondContact CA-O 3.49Å; E133-V268 VanDerWaalsContact CB-O 3.32Å; E133-V268 WeakPolarHBondContact CB-O 3.36Å; E133-V268 PolarHBondContact O-N 3.44Å; E133-H269 WeakPolarHBondContact OE1-CA 3.42Å; E133-H269 IonicContact OE1-CD2 3.74Å; E133-H269 IonicContact OE1-CG 3.86Å; E133-E270 PolarHBondContact OE1-N 2.87Å; E133-E270 VanDerWaalsContact OE1-N 3.08Å; E133-C304 WeakPolarHBondContact O-CB 3.45Å; E133-C304 PolarHBondContact O-SG 3.43Å
134I98.7Very high97.8Very high0 Ų035.6 Ų35.60%020%0.2CC..EExtended strand (participates in β ladder)trans-115.2139-171.1-65.1-67.1000112V120 Q123 A124 V127 A129 R130 T131 W250 V265 V266 F267V120-I134 HydrophobicContact CB-CG2 4.48Å; V120-I134 HydrophobicContact CG1-CB 4.11Å; V120-I134 HydrophobicContact CG1-CG2 4.1Å; V120-I134 HydrophobicContact CG2-CG2 4.44Å; Q123-I134 HydrophobicContact CB-CG2 4.1Å; A124-I134 HydrophobicContact CB-CG1 3.93Å; V127-I134 HydrophobicContact CG2-CD1 4.02Å; A129-I134 HydrophobicContact CB-CD1 3.85Å; A129-I134 HydrophobicContact CB-CG1 3.95Å; R130-I134 WeakPolarHBondContact O-CG1 3.46Å; T131-I134 PolarHBondContact O-N 2.79Å; I134-W250 HydrophobicContact CD1-CH2 3.63Å; I134-W250 HydrophobicContact CD1-CZ2 4.22Å; I134-V265 HydrophobicContact CD1-CG1 4.43Å; I134-V265 HydrophobicContact CG2-CG1 3.68Å; I134-V266 WeakPolarHBondContact CA-O 3.29Å; I134-F267 HydrophobicContact CD1-CB 4.03Å; I134-F267 HydrophobicContact CD1-CD2 3.92Å; I134-F267 HydrophobicContact CD1-CG 4.48Å
135S98.5Very high97.7Very high0 Ų041.3 Ų41.30%023%0.226CC..EExtended strand (participates in β ladder)trans-140.6132.8166.1-167.20000112.1V265 V266 C304 R308S135-V265 CarbonylContact O-C 3.51Å; S135-V265 WeakPolarHBondContact O-CA 3.5Å; S135-V265 WeakPolarHBondContact O-CG1 3.48Å; S135-V266 PolarHBondContact N-O 2.79Å; S135-V266 WeakPolarHBondContact O-CG2 3.49Å; S135-V266 PolarHBondContact O-N 2.79Å; S135-C304 WeakPolarHBondContact CB-O 3.49Å; S135-R308 WeakPolarHBondContact OG-CG 3.48Å
136V98.5Very high97.7Very high1 Ų135 Ų351%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-95.1113.9176.9-175.90000109.3D116 L119 Q123 L263 V265 M320D116-V136 HydrophobicContact CB-CB 4.17Å; L119-V136 HydrophobicContact CB-CG2 3.9Å; L119-V136 HydrophobicContact CD1-CG1 3.99Å; Q123-V136 HydrophobicContact CG-CG2 4.24Å; V136-L263 HydrophobicContact CG1-CB 4.01Å; V136-L263 HydrophobicContact CG1-CD1 4.03Å; V136-L263 HydrophobicContact CG1-CG 4.48Å; V136-V265 HydrophobicContact CG1-CG2 4.49Å; V136-V265 HydrophobicContact CG2-CG1 4.27Å; V136-V265 HydrophobicContact CG2-CG2 4.09Å; V136-M320 HydrophobicContact CG1-CE 3.89Å; V136-M320 HydrophobicContact CG1-SD 3.93Å; V136-M320 HydrophobicContact CG2-SD 4.48Å
137M97.6Very high97.6Very high9 Ų934.6 Ų34.64%0.04419%0.194CC..EExtended strand (participates in β ladder)trans-160.9153.5-170.853.7179.7-74.200112N143 V146 S264 V266 Y307 R308 I309M137-N143 PolarHBondContact O-ND2 2.9Å; M137-N143 PolarHBondContact O-OD1 3.33Å; M137-V146 HydrophobicContact CE-CG1 4.36Å; M137-S264 PolarHBondContact N-O 3.43Å; M137-S264 CarbonylContact O-C 3.51Å; M137-V266 HydrophobicContact CG-CG1 4.33Å; M137-V266 HydrophobicContact CG-CG2 4.04Å; M137-V266 HydrophobicContact SD-CG1 4.35Å; M137-V266 HydrophobicContact SD-CG2 3.68Å; M137-Y307 WeakPolarHBondContact CE-O 3.3Å; M137-R308 HydrophobicContact SD-CG 4.32Å; M137-I309 HydrophobicContact CE-CD1 4.45Å; M137-I309 HydrophobicContact CE-CG1 4.17Å
138N96.3Very high97.6Very high45 Ų4537.2 Ų37.224%0.24121%0.207CC..SBendtrans42.3-158.4174.5-46.9-46.7000115V142 N143 L263 S264N138-V142 HydrophobicContact CB-CB 3.88Å; N138-V142 HydrophobicContact CB-CG1 3.73Å; N138-N143 WeakPolarHBondContact CB-OD1 3.34Å; N138-N143 PolarHBondContact ND2-OD1 2.99Å; N138-L263 CarbonylContact O-C 3.41Å; N138-L263 WeakPolarHBondContact O-CA 3.47Å; N138-S264 PolarHBondContact O-N 3.16Å
139S95.8Very high97.5Very high52 Ų5238.2 Ų38.236%0.36421%0.213SC..  trans-108.4165.6170.1670000110.5T141 V142 N143S139-T141 PolarHBondContact O-N 2.9Å; S139-V142 WeakPolarHBondContact O-CB 3.42Å; S139-V142 PolarHBondContact O-N 2.9Å; S139-V142 VanDerWaalsContact O-N 3.14Å; S139-N143 PolarHBondContact O-N 3.1Å
140L96.5Very high97.4Very high17 Ų1737.5 Ų37.59%0.08921%0.207CC..Hα-helixtrans-52-52.8-171.6169.565000113.5V142 N143 L144 A230 T249 C251 S264L140-V142 VanDerWaalsContact C-N 3.3Å; L140-V142 PolarHBondContact O-N 2.89Å; L140-N143 PolarHBondContact O-N 2.98Å; L140-L144 HydrophobicContact CD1-CD1 4.16Å; L140-L144 HydrophobicContact CD1-CG 4.2Å; L140-L144 HydrophobicContact CG-CD1 4.21Å; L140-L144 PolarHBondContact O-N 2.85Å; L140-A230 HydrophobicContact CD1-CB 4.5Å; L140-A230 HydrophobicContact CD2-CB 3.47Å; L140-A230 VanDerWaalsContact CD2-CB 3.47Å; L140-T249 HydrophobicContact CD1-CG2 3.86Å; L140-C251 HydrophobicContact CB-CB 3.92Å; L140-C251 HydrophobicContact CD2-CB 4.1Å; L140-S264 WeakPolarHBondContact CA-OG 3.45Å; L140-S264 VanDerWaalsContact N-CB 3.28Å
141T95.4Very high97.4Very high88 Ų8832.6 Ų32.654%0.5419%0.188SC..Hα-helixtrans-62.7-40.3-177.2-57.40000111.3S139 N143 L144 H145S139-T141 PolarHBondContact O-N 2.9Å; T141-N143 VanDerWaalsContact C-N 3.33Å; T141-N143 PolarHBondContact O-N 3.2Å; T141-L144 PolarHBondContact O-N 2.71Å; T141-H145 PolarHBondContact O-CD2 3.25Å; T141-H145 PolarHBondContact O-N 3.23Å; T141-H145 VanDerWaalsContact O-N 3.11Å
142V96.1Very high97.4Very high66 Ų6632.8 Ų32.840%0.418%0.181SC..Hα-helixtrans-61-46.6176.2177.70000109.8N138 S139 L140 L144 H145 V146N138-V142 HydrophobicContact CB-CB 3.88Å; N138-V142 HydrophobicContact CB-CG1 3.73Å; S139-V142 WeakPolarHBondContact O-CB 3.42Å; S139-V142 PolarHBondContact O-N 2.9Å; S139-V142 VanDerWaalsContact O-N 3.14Å; L140-V142 VanDerWaalsContact C-N 3.3Å; L140-V142 PolarHBondContact O-N 2.89Å; V142-L144 PolarHBondContact O-N 3.38Å; V142-H145 PolarHBondContact O-N 2.86Å; V142-H145 VanDerWaalsContact O-N 3.15Å; V142-V146 HydrophobicContact CG1-CG2 4.25Å; V142-V146 VanDerWaalsContact O-CG2 3.29Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.14Å
143N97.9Very high97.3Very high0 Ų034.6 Ų34.60%019%0.186CC..Hα-helixtrans-64.4-38.5179-76.5-7.6000113.6M137 N138 S139 L140 T141 H145 V146 L147 T249 S264 V266M137-N143 PolarHBondContact O-ND2 2.9Å; M137-N143 PolarHBondContact O-OD1 3.33Å; N138-N143 WeakPolarHBondContact CB-OD1 3.34Å; N138-N143 PolarHBondContact ND2-OD1 2.99Å; S139-N143 PolarHBondContact O-N 3.1Å; L140-N143 PolarHBondContact O-N 2.98Å; T141-N143 VanDerWaalsContact C-N 3.33Å; T141-N143 PolarHBondContact O-N 3.2Å; N143-H145 VanDerWaalsContact C-N 3.3Å; N143-H145 PolarHBondContact O-N 3.22Å; N143-V146 PolarHBondContact O-N 3.41Å; N143-L147 WeakPolarHBondContact O-CB 3.47Å; N143-L147 VanDerWaalsContact O-CG 3.29Å; N143-L147 WeakPolarHBondContact O-CG 3.44Å; N143-L147 PolarHBondContact O-N 3.23Å; N143-T249 HydrophobicContact CB-CG2 4.49Å; N143-T249 WeakPolarHBondContact CB-OG1 3.3Å; N143-S264 WeakPolarHBondContact ND2-CB 3.47Å; N143-S264 PolarHBondContact ND2-OG 3.27Å; N143-V266 HydrophobicContact CB-CG1 3.58Å; N143-V266 VanDerWaalsContact CG-CG1 3.46Å
144L97.2Very high97.2Very high26 Ų2637.7 Ų37.714%0.13621%0.206CC..Hα-helixtrans-56.5-46.1171.3-78.6169.2000110.8L140 T141 V142 L147 M148 L197 D228 T249L140-L144 HydrophobicContact CD1-CD1 4.16Å; L140-L144 HydrophobicContact CD1-CG 4.2Å; L140-L144 HydrophobicContact CG-CD1 4.21Å; L140-L144 PolarHBondContact O-N 2.85Å; T141-L144 PolarHBondContact O-N 2.71Å; V142-L144 PolarHBondContact O-N 3.38Å; L144-L147 PolarHBondContact O-N 3.27Å; L144-M148 WeakPolarHBondContact O-CB 3.27Å; L144-M148 WeakPolarHBondContact O-CG 3.27Å; L144-M148 PolarHBondContact O-N 2.97Å; L144-L197 HydrophobicContact CD2-CD1 4.34Å; L144-D228 HydrophobicContact CD2-CB 4.29Å; L144-T249 HydrophobicContact CB-CG2 4.44Å; L144-T249 HydrophobicContact CD2-CG2 3.37Å; L144-T249 HydrophobicContact CG-CG2 3.56Å
145H96.6Very high97.2Very high122 Ų12240.8 Ų40.857%0.56523%0.225SC*.Hα-helixtrans-67.6-38.2177.3-79.3-78.2000113.3T141 V142 N143 M148 A149T141-H145 PolarHBondContact O-CD2 3.25Å; T141-H145 PolarHBondContact O-N 3.23Å; T141-H145 VanDerWaalsContact O-N 3.11Å; V142-H145 PolarHBondContact O-N 2.86Å; V142-H145 VanDerWaalsContact O-N 3.15Å; N143-H145 VanDerWaalsContact C-N 3.3Å; N143-H145 PolarHBondContact O-N 3.22Å; H145-M148 PolarHBondContact O-N 3.01Å; H145-A149 WeakPolarHBondContact O-CB 3.28Å; H145-A149 PolarHBondContact O-N 3.45Å
146V97.6Very high97.2Very high3 Ų346.7 Ų46.72%0.01826%0.263CS..Hα-helixtrans-60-47.5174.8169.90000110.5M137 V142 N143 A149 A150 L280 Y307 I309M137-V146 HydrophobicContact CE-CG1 4.36Å; V142-V146 HydrophobicContact CG1-CG2 4.25Å; V142-V146 VanDerWaalsContact O-CG2 3.29Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.14Å; N143-V146 PolarHBondContact O-N 3.41Å; V146-A149 PolarHBondContact O-N 2.69Å; V146-A150 PolarHBondContact O-N 2.98Å; V146-L280 HydrophobicContact CG2-CD1 4.09Å; V146-Y307 HydrophobicContact CG1-CD1 4.15Å; V146-I309 HydrophobicContact CG2-CD1 3.64Å
147L98.3Very high97.1Very high0 Ų052.1 Ų52.10%030%0.296CS..Hα-helixtrans-68.4-45.3179.1-68.1166.9000110.9N143 L144 A149 A150 F151 F247 T249 V266 V268 Y307N143-L147 WeakPolarHBondContact O-CB 3.47Å; N143-L147 VanDerWaalsContact O-CG 3.29Å; N143-L147 WeakPolarHBondContact O-CG 3.44Å; N143-L147 PolarHBondContact O-N 3.23Å; L144-L147 PolarHBondContact O-N 3.27Å; L147-A149 VanDerWaalsContact C-N 3.27Å; L147-A149 PolarHBondContact O-N 3.13Å; L147-A150 PolarHBondContact O-N 3.33Å; L147-F151 HydrophobicContact CB-CD2 4.42Å; L147-F151 HydrophobicContact CD2-CD2 4.3Å; L147-F151 HydrophobicContact CD2-CE2 3.98Å; L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 VanDerWaalsContact O-CD2 3.29Å; L147-F151 WeakPolarHBondContact O-CD2 3.22Å; L147-F151 PolarHBondContact O-N 2.82Å; L147-F247 HydrophobicContact CB-CD2 3.84Å; L147-F247 HydrophobicContact CB-CE2 3.9Å; L147-F247 HydrophobicContact CB-CG 4.44Å; L147-F247 HydrophobicContact CD1-CD2 3.79Å; L147-F247 HydrophobicContact CD1-CE2 4.37Å; L147-F247 HydrophobicContact CD2-CB 4.21Å; L147-F247 HydrophobicContact CD2-CD2 4.39Å; L147-F247 HydrophobicContact CD2-CG 4.48Å; L147-F247 HydrophobicContact CG-CD2 4.22Å; L147-T249 HydrophobicContact CD1-CG2 3.92Å; L147-V266 HydrophobicContact CD1-CB 4.18Å; L147-V266 HydrophobicContact CD1-CG1 3.83Å; L147-V266 HydrophobicContact CD2-CB 4.41Å; L147-V266 HydrophobicContact CD2-CG1 4.48Å; L147-V266 HydrophobicContact CG-CG1 4.2Å; L147-V268 HydrophobicContact CD2-CG2 3.8Å; L147-Y307 HydrophobicContact CD2-CD1 4.32Å; L147-Y307 HydrophobicContact CD2-CE1 4.09Å
148M97.1Very high97.1Very high55 Ų5554 Ų5427%0.27130%0.303SS..Hα-helixtrans-58-39.4175.2-74.1177.572.300112.2L144 H145 A150 F151 Y152 L195 L197L144-M148 WeakPolarHBondContact O-CB 3.27Å; L144-M148 WeakPolarHBondContact O-CG 3.27Å; L144-M148 PolarHBondContact O-N 2.97Å; H145-M148 PolarHBondContact O-N 3.01Å; M148-A150 VanDerWaalsContact C-N 3.27Å; M148-A150 PolarHBondContact O-N 3.17Å; M148-F151 PolarHBondContact O-N 2.83Å; M148-Y152 VanDerWaalsContact O-CB 3.22Å; M148-Y152 WeakPolarHBondContact O-CB 3.46Å; M148-Y152 PolarHBondContact O-N 2.7Å; M148-L195 HydrophobicContact CG-CD2 4.29Å; M148-L197 HydrophobicContact CG-CD2 4.27Å; M148-L197 HydrophobicContact SD-CD2 3.92Å
149A97.5Very high97.2Very high50 Ų5057.8 Ų57.841%0.41332%0.317SS..Hα-helixtrans-63-33176.200000112.8H145 V146 L147 A279H145-A149 WeakPolarHBondContact O-CB 3.28Å; H145-A149 PolarHBondContact O-N 3.45Å; V146-A149 PolarHBondContact O-N 2.69Å; L147-A149 VanDerWaalsContact C-N 3.27Å; L147-A149 PolarHBondContact O-N 3.13Å; A149-A279 HydrophobicContact CB-CB 3.86Å; A149-A279 VanDerWaalsContact O-CB 3.31Å; A149-A279 WeakPolarHBondContact O-CB 3.5Å
150A97.3Very high97.3Very high2 Ų257.9 Ų57.92%0.01732%0.316CS..Hα-helixtrans-81.8-37.4177.300000113.2V146 L147 M148 K153 Y307V146-A150 PolarHBondContact O-N 2.98Å; L147-A150 PolarHBondContact O-N 3.33Å; M148-A150 VanDerWaalsContact C-N 3.27Å; M148-A150 PolarHBondContact O-N 3.17Å; A150-K153 VanDerWaalsContact O-CE 3.26Å; A150-K153 WeakPolarHBondContact O-CE 3.2Å; A150-Y307 HydrophobicContact CB-CE1 3.87Å
151F98.1Very high97.4Very high1 Ų159.4 Ų59.40%0.00433%0.325CS..Hα-helixtrans-102.6-28.8-167.2-77.8-83.3000115L147 M148 K153 V224 D246 F247 V268 V272 H276 Y307L147-F151 HydrophobicContact CB-CD2 4.42Å; L147-F151 HydrophobicContact CD2-CD2 4.3Å; L147-F151 HydrophobicContact CD2-CE2 3.98Å; L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 VanDerWaalsContact O-CD2 3.29Å; L147-F151 WeakPolarHBondContact O-CD2 3.22Å; L147-F151 PolarHBondContact O-N 2.82Å; M148-F151 PolarHBondContact O-N 2.83Å; F151-K153 PolarHBondContact O-N 2.85Å; F151-K153 VanDerWaalsContact O-N 3.12Å; F151-V224 HydrophobicContact CB-CG1 4.12Å; F151-V224 HydrophobicContact CD1-CG1 3.7Å; F151-V224 HydrophobicContact CG-CG1 4.29Å; F151-D246 HydrophobicContact CE1-CB 4.48Å; F151-F247 HydrophobicContact CB-CD1 3.83Å; F151-F247 HydrophobicContact CB-CE1 3.49Å; F151-F247 VanDerWaalsContact CB-CE1 3.49Å; F151-F247 HydrophobicContact CB-CZ 4.3Å; F151-F247 AromaticContact CD1-CD1 3.6Å; F151-F247 HydrophobicContact CD1-CD1 3.6Å; F151-F247 HydrophobicContact CD1-CE1 4.11Å; F151-F247 HydrophobicContact CD2-CB 4.17Å; F151-F247 AromaticContact CD2-CD1 3.55Å; F151-F247 HydrophobicContact CD2-CD1 3.55Å; F151-F247 HydrophobicContact CD2-CE1 4.04Å; F151-F247 AromaticContact CD2-CG 3.92Å; F151-F247 HydrophobicContact CD2-CG 3.92Å; F151-F247 HydrophobicContact CE1-CB 4.4Å; F151-F247 AromaticContact CE1-CD1 3.99Å; F151-F247 HydrophobicContact CE1-CD1 3.99Å; F151-F247 HydrophobicContact CE2-CB 3.77Å; F151-F247 AromaticContact CE2-CD1 3.97Å; F151-F247 HydrophobicContact CE2-CD1 3.97Å; F151-F247 HydrophobicContact CE2-CG 4.05Å; F151-F247 AromaticContact CG-CD1 3.35Å; F151-F247 HydrophobicContact CG-CD1 3.35Å; F151-F247 AromaticContact CG-CE1 3.61Å; F151-F247 HydrophobicContact CG-CE1 3.61Å; F151-F247 HydrophobicContact CG-CG 4.2Å; F151-F247 HydrophobicContact CZ-CB 3.9Å; F151-F247 HydrophobicContact CZ-CD1 4.17Å; F151-F247 HydrophobicContact CZ-CG 4.41Å; F151-V268 HydrophobicContact CE2-CG1 4.46Å; F151-V268 HydrophobicContact CE2-CG2 4.02Å; F151-V268 HydrophobicContact CZ-CG1 3.82Å; F151-V268 HydrophobicContact CZ-CG2 4.17Å; F151-V272 HydrophobicContact CE1-CB 4.32Å; F151-V272 HydrophobicContact CE1-CG2 3.84Å; F151-V272 HydrophobicContact CZ-CG2 4.15Å; F151-H276 HydrophobicContact CD1-CB 3.87Å; F151-H276 AromaticContact CD1-CD2 3.57Å; F151-H276 AromaticContact CD1-CG 3.56Å; F151-H276 HydrophobicContact CE1-CB 3.55Å; F151-H276 AromaticContact CE1-CG 3.52Å; F151-H276 AromaticContact CE1-ND1 3.9Å; F151-H276 HydrophobicContact CE2-CB 4.28Å; F151-H276 HydrophobicContact CG-CB 4.4Å; F151-H276 HydrophobicContact CZ-CB 3.76Å; F151-Y307 HydrophobicContact CE2-CE1 4.37Å; F151-Y307 VanDerWaalsContact CE2-OH 3.29Å; F151-Y307 WeakPolarHBondContact CE2-OH 3.36Å
152Y97.7Very high97.4Very high79 Ų7956.2 Ų56.231%0.3131%0.305SS..  trans-81.995.5177178.9-115.8000110.5M148 P154 K159 V161 A194 L195M148-Y152 VanDerWaalsContact O-CB 3.22Å; M148-Y152 WeakPolarHBondContact O-CB 3.46Å; M148-Y152 PolarHBondContact O-N 2.7Å; Y152-P154 HydrophobicContact CD1-CG 4.27Å; Y152-P154 HydrophobicContact CE1-CB 4.18Å; Y152-P154 HydrophobicContact CE1-CG 3.67Å; Y152-P154 HydrophobicContact CE2-CB 4.02Å; Y152-P154 HydrophobicContact CE2-CG 4.34Å; Y152-P154 VanDerWaalsContact O-CD 3.27Å; Y152-P154 WeakPolarHBondContact O-CD 3.48Å; Y152-K159 WeakPolarHBondContact CE2-O 3.47Å; Y152-K159 PolarHBondContact OH-O 3.09Å; Y152-V161 HydrophobicContact CD2-CG2 3.73Å; Y152-V161 HydrophobicContact CE2-CG2 3.44Å; Y152-V161 VanDerWaalsContact CE2-CG2 3.44Å; Y152-V161 HydrophobicContact CG-CG2 4.46Å; Y152-A194 HydrophobicContact CD2-CB 3.92Å; Y152-A194 HydrophobicContact CE2-CB 3.76Å; Y152-L195 HydrophobicContact CD2-CB 4.11Å
153K96.2Very high97.4Very high111 Ų11158.1 Ų58.148%0.48331%0.311SS..  trans-113.977.8177.7-64.7178.9-178.4171.60110.3A150 F151 S275A150-K153 VanDerWaalsContact O-CE 3.26Å; A150-K153 WeakPolarHBondContact O-CE 3.2Å; F151-K153 PolarHBondContact O-N 2.85Å; F151-K153 VanDerWaalsContact O-N 3.12Å; K153-S275 PolarHBondContact NZ-O 3.32Å
154P97.2Very high96.9Very high64 Ų6459.5 Ų59.542%0.41632%0.317SS..  trans-67.7146.3-175.429.2-35.9000112.2Y152 R158 K159Y152-P154 HydrophobicContact CD1-CG 4.27Å; Y152-P154 HydrophobicContact CE1-CB 4.18Å; Y152-P154 HydrophobicContact CE1-CG 3.67Å; Y152-P154 HydrophobicContact CE2-CB 4.02Å; Y152-P154 HydrophobicContact CE2-CG 4.34Å; Y152-P154 VanDerWaalsContact O-CD 3.27Å; Y152-P154 WeakPolarHBondContact O-CD 3.48Å; P154-R158 CarbonylContact C-O 3.52Å; P154-R158 WeakPolarHBondContact CA-O 3.32Å; P154-K159 HydrophobicContact CB-CB 3.9Å
155T97.7Very high96Very high65 Ų6562.9 Ų62.940%0.39934%0.339SS..  trans-115.5169.3169.779.10000109.7T157 R158T155-T157 PolarHBondContact O-N 3.32Å; T155-T157 VanDerWaalsContact O-N 3.15Å; T155-T157 PolarHBondContact OG1-N 3.13Å; T155-T157 PolarHBondContact OG1-OG1 2.69Å; T155-R158 PolarHBondContact N-O 2.76Å; T155-R158 CarbonylContact O-C 3.5Å; T155-R158 PolarHBondContact O-N 3.34Å; T155-R158 WeakPolarHBondContact OG1-CB 3.43Å; T155-R158 PolarHBondContact OG1-N 3.27Å
156P97.8Very high94.7Very high124 Ų12461.9 Ų61.981%0.80533%0.333SS*.SBendtrans-54.7-33.8177.5-28.937.1000114.2
157T97Very high92.7Very high115 Ų11562.2 Ų62.271%0.70634%0.335SS*.SBendtrans-96.6-29.6-179.352.30000113.2T155 S192T155-T157 PolarHBondContact O-N 3.32Å; T155-T157 VanDerWaalsContact O-N 3.15Å; T155-T157 PolarHBondContact OG1-N 3.13Å; T155-T157 PolarHBondContact OG1-OG1 2.69Å; T157-S192 WeakPolarHBondContact O-CA 3.29Å
158R97.9Very high90Very high48 Ų4868.7 Ų68.718%0.18136%0.363CS..  trans-119.591.7-176.8-174.6-178.8-69.6-93.32110.6P154 T155 G190 D191 S192 I193 A194 K221 G222P154-R158 CarbonylContact C-O 3.52Å; P154-R158 WeakPolarHBondContact CA-O 3.32Å; T155-R158 PolarHBondContact N-O 2.76Å; T155-R158 CarbonylContact O-C 3.5Å; T155-R158 PolarHBondContact O-N 3.34Å; T155-R158 WeakPolarHBondContact OG1-CB 3.43Å; T155-R158 PolarHBondContact OG1-N 3.27Å; R158-G190 PolarHBondContact NH1-O 3.15Å; R158-D191 IonicContact NH2-OD1 3.87Å; R158-S192 CarbonylContact C-O 3.54Å; R158-S192 WeakPolarHBondContact CA-O 3.14Å; R158-I193 VanDerWaalsContact CD-O 3.32Å; R158-I193 WeakPolarHBondContact CD-O 3.31Å; R158-I193 WeakPolarHBondContact CG-O 3.09Å; R158-I193 PolarHBondContact NH1-O 3.31Å; R158-A194 HydrophobicContact CG-CB 4.03Å; R158-K221 VanDerWaalsContact CZ-O 3.28Å; R158-K221 PolarHBondContact NH1-O 3.48Å; R158-K221 PolarHBondContact NH2-O 3.28Å; R158-G222 VanDerWaalsContact NH1-C 3.33Å; R158-G222 PolarHBondContact NH1-O 2.81Å
159K97.9Very high87.8Confident125 Ų12568.5 Ų68.554%0.54337%0.366SS..  trans-135.3-9-172.564.2-171.8176.9-170.20115.1Y152 P154 S192Y152-K159 WeakPolarHBondContact CE2-O 3.47Å; Y152-K159 PolarHBondContact OH-O 3.09Å; P154-K159 HydrophobicContact CB-CB 3.9Å; K159-S192 PolarHBondContact N-O 3.13Å
160V98.3Very high85.6Confident55 Ų5570.5 Ų70.533%0.33338%0.377SS..EExtended strand (participates in β ladder)trans-75.2138.3-175.3175.50000110.1S192 I193 A194 L195V160-S192 WeakPolarHBondContact CB-O 3.3Å; V160-S192 PolarHBondContact N-O 3.29Å; V160-I193 HydrophobicContact CB-CG1 4.24Å; V160-I193 HydrophobicContact CG1-CG1 4.22Å; V160-I193 CarbonylContact O-C 3.42Å; V160-A194 PolarHBondContact O-N 3.48Å; V160-L195 PolarHBondContact O-N 3.4Å
161V97.6Very high83.6Confident48 Ų4875.9 Ų75.929%0.29141%0.406SS..EExtended strand (participates in β ladder)trans-100.8116164-176.30000107.1Y152 M163 L195 L197Y152-V161 HydrophobicContact CD2-CG2 3.73Å; Y152-V161 HydrophobicContact CE2-CG2 3.44Å; Y152-V161 VanDerWaalsContact CE2-CG2 3.44Å; Y152-V161 HydrophobicContact CG-CG2 4.46Å; V161-M163 HydrophobicContact CG1-CG 3.98Å; V161-M163 HydrophobicContact CG1-SD 4.4Å; V161-L195 CarbonylContact C-O 3.31Å; V161-L195 VanDerWaalsContact CA-O 3.31Å; V161-L195 WeakPolarHBondContact CA-O 3.39Å; V161-L195 HydrophobicContact CG1-CB 4.35Å; V161-L195 HydrophobicContact CG1-CD2 4.16Å; V161-L195 HydrophobicContact CG1-CG 4.27Å; V161-L195 HydrophobicContact CG2-CB 4.4Å; V161-L197 HydrophobicContact CG1-CB 4.44Å
162L97.2Very high81.6Confident22 Ų2280.1 Ų80.112%0.11543%0.425CS..EExtended strand (participates in β ladder)trans-90.8121.2176.8-177.963.2000108.9Y185 L186 I193 L195 V196 L197 F198L162-Y185 HydrophobicContact CD1-CD1 3.95Å; L162-Y185 HydrophobicContact CD1-CE1 3.56Å; L162-Y185 HydrophobicContact CD2-CD1 3.92Å; L162-Y185 HydrophobicContact CD2-CE1 4.19Å; L162-Y185 HydrophobicContact CG-CE1 4.47Å; L162-L186 HydrophobicContact CD2-CD2 3.71Å; L162-L186 HydrophobicContact CD2-CG 4.27Å; L162-I193 HydrophobicContact CB-CD1 4.16Å; L162-I193 HydrophobicContact CB-CG1 4.48Å; L162-I193 HydrophobicContact CB-CG2 3.93Å; L162-I193 HydrophobicContact CD2-CD1 3.89Å; L162-I193 HydrophobicContact CG-CD1 4.48Å; L162-L195 PolarHBondContact N-O 3.37Å; L162-V196 HydrophobicContact CB-CG2 4.47Å; L162-V196 HydrophobicContact CD2-CG2 4.42Å; L162-L197 PolarHBondContact O-N 2.64Å; L162-F198 HydrophobicContact CD2-CE2 4.37Å; L162-F198 HydrophobicContact CG-CE2 3.93Å; L162-F198 HydrophobicContact CG-CZ 4.4Å
163M94.4Very high80.2Confident106 Ų10679.5 Ų79.552%0.52244%0.442SS..  trans-129.6152.2176.2-57.3-177.77200109.5V161 L197V161-M163 HydrophobicContact CG1-CG 3.98Å; V161-M163 HydrophobicContact CG1-SD 4.4Å; M163-L197 HydrophobicContact CE-CD2 4.32Å; M163-L197 HydrophobicContact CG-CB 4.43Å
164E88.8Confident79.3Confident29 Ų2977.3 Ų77.314%0.13643%0.43CS..  trans-72.1149.6170.382.3-73.1-170.600110.8L177 F198 S199 F209E164-L177 HydrophobicContact CB-CD1 4.37Å; E164-F198 HydrophobicContact CB-CD1 4.06Å; E164-F198 HydrophobicContact CB-CE1 3.85Å; E164-F198 HydrophobicContact CB-CE2 4.32Å; E164-F198 HydrophobicContact CB-CG 4.4Å; E164-F198 HydrophobicContact CB-CZ 3.98Å; E164-F198 VanDerWaalsContact N-CE2 3.29Å; E164-F198 VanDerWaalsContact OE2-CA 3.24Å; E164-F198 WeakPolarHBondContact OE2-CA 3.48Å; E164-S199 WeakPolarHBondContact OE1-CB 3.01Å; E164-S199 PolarHBondContact OE1-N 3.13Å; E164-S199 PolarHBondContact OE1-OG 3.32Å; E164-S199 PolarHBondContact OE2-N 3.23Å; E164-F209 HydrophobicContact CB-CZ 4.15Å; E164-F209 HydrophobicContact CG-CE2 4.24Å; E164-F209 HydrophobicContact CG-CZ 4.06Å
165T78.9Confident78.7Confident96 Ų9674.8 Ų74.859%0.58942%0.415SS*.  trans-118.9179.9172.765.20000109.9P167T165-P167 WeakPolarHBondContact O-CD 3.2Å
166K67.7Low78.3Confident102 Ų10274.6 Ų74.644%0.44341%0.407SS..  trans-80.7101158.3-63.6-179.9-173.9-179.60106.4F168 Y203 Y204K166-F168 PolarHBondContact O-N 3.07Å; K166-Y203 WeakPolarHBondContact CE-OH 3.24Å; K166-Y203 PolarHBondContact NZ-OH 3.29Å; K166-Y204 HydrophobicContact CD-CD1 4.01Å; K166-Y204 HydrophobicContact CD-CE1 4.27Å; K166-Y204 HydrophobicContact CD-CG 4.12Å; K166-Y204 HydrophobicContact CG-CD1 4.27Å
167P55.5Low78Confident9 Ų970 Ų706%0.05838%0.375CS..  trans-54.4133.3173.522.5-31.6000108.2T165 P169 F172 L177T165-P167 WeakPolarHBondContact O-CD 3.2Å; P167-P169 WeakPolarHBondContact O-CD 3.39Å; P167-F172 HydrophobicContact CB-CB 4.43Å; P167-F172 HydrophobicContact CB-CD2 3.39Å; P167-F172 HydrophobicContact CB-CE2 3.79Å; P167-F172 HydrophobicContact CB-CG 3.99Å; P167-L177 HydrophobicContact CB-CD2 4.21Å; P167-L177 HydrophobicContact CG-CD2 4.18Å; P167-L177 HydrophobicContact CG-CG 4.33Å
168F42.5Very low77.8Confident136 Ų13666.5 Ų66.560%0.59635%0.353SS*.  trans-66.8126.9-178.6-164.8-92.5000108.2K166 S170 D171 F172K166-F168 PolarHBondContact O-N 3.07Å; F168-S170 WeakPolarHBondContact CD1-OG 3.48Å; F168-S170 WeakPolarHBondContact CE1-OG 3.46Å; F168-S170 PolarHBondContact O-N 3.39Å; F168-S170 VanDerWaalsContact O-N 3.08Å; F168-D171 WeakPolarHBondContact O-CB 3.42Å; F168-D171 PolarHBondContact O-N 2.95Å; F168-F172 PolarHBondContact O-N 2.98Å
169P50.7Low77.7Confident51 Ų5165.4 Ų65.433%0.33135%0.352SS..Hα-helixtrans-59.2-26.6-170.9-29.636000115.3P167 D171 G173P167-P169 WeakPolarHBondContact O-CD 3.39Å; P169-D171 VanDerWaalsContact C-N 3.31Å; P169-G173 WeakPolarHBondContact O-CA 2.99Å; P169-G173 PolarHBondContact O-N 2.86Å
170S50.5Low77.6Confident92 Ų9263.7 Ų63.764%0.64335%0.349SS*.Hα-helixtrans-74.2-21.3175.165.90000113.8F168F168-S170 WeakPolarHBondContact CD1-OG 3.48Å; F168-S170 WeakPolarHBondContact CE1-OG 3.46Å; F168-S170 PolarHBondContact O-N 3.39Å; F168-S170 VanDerWaalsContact O-N 3.08Å
171D55.5Low77.4Confident115 Ų11564 Ų6462%0.61535%0.347SS*.Hα-helixtrans-82.5-34.8-177.9-60.5-8.4000110.7F168 P169F168-D171 WeakPolarHBondContact O-CB 3.42Å; F168-D171 PolarHBondContact O-N 2.95Å; P169-D171 VanDerWaalsContact C-N 3.31Å
172F56.6Low77.4Confident91 Ų9162.1 Ų62.140%0.39934%0.335SS..Hα-helixtrans-118.1-10.2-174.1-66.5-88.6000114.6P167 F168 R174P167-F172 HydrophobicContact CB-CB 4.43Å; P167-F172 HydrophobicContact CB-CD2 3.39Å; P167-F172 HydrophobicContact CB-CE2 3.79Å; P167-F172 HydrophobicContact CB-CG 3.99Å; F168-F172 PolarHBondContact O-N 2.98Å; F172-R174 HydrophobicContact CB-CG 4.16Å; F172-R174 PolarHBondContact O-N 3.15Å; F172-R174 VanDerWaalsContact O-N 3.09Å
173G68.5Low77.4Confident65 Ų6562 Ų6267%0.6733%0.334SS*.SBendtrans67.9-0.1-172.200000114.6P169P169-G173 WeakPolarHBondContact O-CA 2.99Å; P169-G173 PolarHBondContact O-N 2.86Å
174R78.1Confident77.6Confident65 Ų6561.6 Ų61.625%0.24534%0.338CS..SBendtrans-145.2166-178.459.6176.6180-107-0.8111.3F172 W176 T178 E181F172-R174 HydrophobicContact CB-CG 4.16Å; F172-R174 PolarHBondContact O-N 3.15Å; F172-R174 VanDerWaalsContact O-N 3.09Å; R174-W176 WeakPolarHBondContact CD-O 3.03Å; R174-W176 HydrophobicContact CG-CD2 4.47Å; R174-W176 WeakPolarHBondContact CG-O 3.48Å; R174-W176 PolarHBondContact NE-O 2.93Å; R174-W176 VanDerWaalsContact NE-O 3.13Å; R174-T178 VanDerWaalsContact NH2-CG2 3.33Å; R174-E181 IonicContact CZ-OE1 2.66Å; R174-E181 IonicContact CZ-OE2 3.25Å; R174-E181 IonicContact NH2-OE1 3.17Å; R174-E181 PolarHBondContact NH2-OE1 2.67Å; R174-E181 IonicContact NH2-OE2 2.92Å; R174-E181 PolarHBondContact NH2-OE2 2.72Å
175S84.1Confident78Confident12 Ų1265.1 Ų65.18%0.08435%0.351CS..SBendtrans-103.917.4-178.3-54.50000114
176W89.1Confident78.9Confident61 Ų6160.5 Ų60.523%0.23132%0.323CS..SBendtrans-144.2158.9-176.651.6-97.8000110.5R174 T178 Q207 P364R174-W176 WeakPolarHBondContact CD-O 3.03Å; R174-W176 HydrophobicContact CG-CD2 4.47Å; R174-W176 WeakPolarHBondContact CG-O 3.48Å; R174-W176 PolarHBondContact NE-O 2.93Å; R174-W176 VanDerWaalsContact NE-O 3.13Å; W176-T178 HydrophobicContact CH2-CG2 4.4Å; W176-T178 HydrophobicContact CZ3-CG2 3.64Å; W176-Q207 HydrophobicContact CB-CB 4.37Å; W176-Q207 VanDerWaalsContact CB-OE1 3.26Å; W176-P364 HydrophobicContact CB-CG 4.41Å; W176-P364 HydrophobicContact CD2-CG 4.19Å; W176-P364 HydrophobicContact CG-CG 4.01Å
177L92Very high80.3Confident27 Ų2760.7 Ų60.714%0.14133%0.328CS..  trans-105136.5-175.7-64.6168000109.8E164 P167 I182 Q207E164-L177 HydrophobicContact CB-CD1 4.37Å; P167-L177 HydrophobicContact CB-CD2 4.21Å; P167-L177 HydrophobicContact CG-CD2 4.18Å; P167-L177 HydrophobicContact CG-CG 4.33Å; L177-I182 HydrophobicContact CB-CD1 4.22Å; L177-I182 HydrophobicContact CB-CG1 4.25Å; L177-Q207 PolarHBondContact O-NE2 3.46Å
178T92.7Very high82.4Confident41 Ų4163.5 Ų63.525%0.25235%0.352SS..  trans-72.3154.3172.462.60000110R174 W176 D180 E181 I182R174-T178 VanDerWaalsContact NH2-CG2 3.33Å; W176-T178 HydrophobicContact CH2-CG2 4.4Å; W176-T178 HydrophobicContact CZ3-CG2 3.64Å; T178-D180 PolarHBondContact O-N 3.43Å; T178-E181 PolarHBondContact N-OE2 3.18Å; T178-E181 PolarHBondContact O-N 3.18Å; T178-E181 WeakPolarHBondContact OG1-CB 3.13Å; T178-E181 VanDerWaalsContact OG1-CG 3.23Å; T178-E181 WeakPolarHBondContact OG1-CG 3.41Å; T178-E181 PolarHBondContact OG1-N 3Å; T178-E181 VanDerWaalsContact OG1-N 3.13Å; T178-E181 PolarHBondContact OG1-OE2 2.97Å; T178-I182 PolarHBondContact O-N 3.32Å
179T95.5Very high85Confident25 Ų2561.1 Ų61.115%0.15334%0.343CS..Hα-helixtrans-55.2-45.2170.9-59.10000110.4E181 I182 L183 D210T179-E181 VanDerWaalsContact C-N 3.33Å; T179-E181 PolarHBondContact O-N 3.2Å; T179-I182 WeakPolarHBondContact O-CB 3.16Å; T179-I182 PolarHBondContact O-N 3.48Å; T179-I182 VanDerWaalsContact O-N 3.08Å; T179-L183 HydrophobicContact CG2-CD1 3.99Å; T179-L183 HydrophobicContact CG2-CG 4.09Å; T179-L183 VanDerWaalsContact O-CG 3.3Å; T179-L183 WeakPolarHBondContact O-CG 3.43Å; T179-L183 PolarHBondContact O-N 2.95Å; T179-D210 HydrophobicContact CG2-CB 3.82Å
180D96.4Very high87.3Confident90 Ų9058.8 Ų58.848%0.48133%0.328SS..Hα-helixtrans-61.9-36-178.8-66.8-29.3000113.3T178 I182 L183 T184 R213T178-D180 PolarHBondContact O-N 3.43Å; D180-I182 VanDerWaalsContact C-N 3.34Å; D180-I182 PolarHBondContact O-N 3.06Å; D180-L183 PolarHBondContact O-N 3.22Å; D180-T184 WeakPolarHBondContact O-CB 3.45Å; D180-T184 PolarHBondContact O-N 3.42Å; D180-T184 PolarHBondContact O-OG1 3.07Å; D180-T184 VanDerWaalsContact O-OG1 3.07Å; D180-R213 IonicContact OD1-CZ 2.72Å; D180-R213 IonicContact OD1-NH1 3.93Å; D180-R213 IonicContact OD1-NH2 3.62Å; D180-R213 PolarHBondContact OD1-NH2 3.27Å; D180-R213 VanDerWaalsContact OD1-NH2 3.13Å
181E94.1Very high89.5Confident62 Ų6260 Ų6029%0.2933%0.327SS..Hα-helixtrans-60.4-43.7173.2-78.7169155.400111.9R174 T178 T179 Y185R174-E181 IonicContact CZ-OE1 2.66Å; R174-E181 IonicContact CZ-OE2 3.25Å; R174-E181 IonicContact NH2-OE1 3.17Å; R174-E181 PolarHBondContact NH2-OE1 2.67Å; R174-E181 IonicContact NH2-OE2 2.92Å; R174-E181 PolarHBondContact NH2-OE2 2.72Å; T178-E181 PolarHBondContact N-OE2 3.18Å; T178-E181 PolarHBondContact O-N 3.18Å; T178-E181 WeakPolarHBondContact OG1-CB 3.13Å; T178-E181 VanDerWaalsContact OG1-CG 3.23Å; T178-E181 WeakPolarHBondContact OG1-CG 3.41Å; T178-E181 PolarHBondContact OG1-N 3Å; T178-E181 VanDerWaalsContact OG1-N 3.13Å; T178-E181 PolarHBondContact OG1-OE2 2.97Å; T179-E181 VanDerWaalsContact C-N 3.33Å; T179-E181 PolarHBondContact O-N 3.2Å; E181-Y185 WeakPolarHBondContact O-CB 3.33Å; E181-Y185 PolarHBondContact O-N 3.15Å
182I96.2Very high91.6Very high8 Ų856.6 Ų56.64%0.04131%0.312CS..Hα-helixtrans-64.5-44178-60.9161.3000109.8L177 T178 T179 D180 Y185 L186 F198 F209 I214L177-I182 HydrophobicContact CB-CD1 4.22Å; L177-I182 HydrophobicContact CB-CG1 4.25Å; T178-I182 PolarHBondContact O-N 3.32Å; T179-I182 WeakPolarHBondContact O-CB 3.16Å; T179-I182 PolarHBondContact O-N 3.48Å; T179-I182 VanDerWaalsContact O-N 3.08Å; D180-I182 VanDerWaalsContact C-N 3.34Å; D180-I182 PolarHBondContact O-N 3.06Å; I182-Y185 PolarHBondContact O-N 3.11Å; I182-L186 HydrophobicContact CG2-CD1 4.18Å; I182-L186 WeakPolarHBondContact O-CG 3.4Å; I182-L186 PolarHBondContact O-N 3.35Å; I182-F198 HydrophobicContact CD1-CE1 3.83Å; I182-F198 HydrophobicContact CG1-CE1 4.1Å; I182-F198 HydrophobicContact CG2-CE1 4.09Å; I182-F198 HydrophobicContact CG2-CZ 4.32Å; I182-F209 HydrophobicContact CD1-CD1 3.72Å; I182-F209 HydrophobicContact CD1-CE1 3.78Å; I182-I214 HydrophobicContact CD1-CD1 3.82Å; I182-I214 HydrophobicContact CG2-CD1 4.15Å; I182-I214 HydrophobicContact CG2-CG1 4.04Å; I182-I214 HydrophobicContact CG2-CG2 4.3Å
183L98.2Very high93.6Very high18 Ų1852.2 Ų52.29%0.09429%0.293CS..Hα-helixtrans-67.7-41.3-179.7-60.5-174.2000112.4T179 D180 Y185 L186 D187 R213 I214 V217T179-L183 HydrophobicContact CG2-CD1 3.99Å; T179-L183 HydrophobicContact CG2-CG 4.09Å; T179-L183 VanDerWaalsContact O-CG 3.3Å; T179-L183 WeakPolarHBondContact O-CG 3.43Å; T179-L183 PolarHBondContact O-N 2.95Å; D180-L183 PolarHBondContact O-N 3.22Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 3.1Å; L183-L186 HydrophobicContact CD2-CD1 4.44Å; L183-L186 PolarHBondContact O-N 3.26Å; L183-D187 WeakPolarHBondContact O-CB 3.35Å; L183-D187 PolarHBondContact O-N 3.23Å; L183-R213 HydrophobicContact CD1-CG 3.84Å; L183-R213 VanDerWaalsContact CD1-CZ 3.46Å; L183-R213 HydrophobicContact CD2-CG 4.5Å; L183-I214 HydrophobicContact CD2-CG1 4.25Å; L183-V217 HydrophobicContact CD2-CB 3.81Å; L183-V217 HydrophobicContact CD2-CG1 4.08Å; L183-V217 HydrophobicContact CD2-CG2 3.82Å
184T97.8Very high95Very high98 Ų9849.5 Ų49.560%0.60126%0.264SS*.Hα-helixtrans-61-40.6173.7-64.60000111.1D180 D187 A188D180-T184 WeakPolarHBondContact O-CB 3.45Å; D180-T184 PolarHBondContact O-N 3.42Å; D180-T184 PolarHBondContact O-OG1 3.07Å; D180-T184 VanDerWaalsContact O-OG1 3.07Å; T184-D187 PolarHBondContact O-N 2.56Å; T184-A188 WeakPolarHBondContact O-CB 3.42Å; T184-A188 PolarHBondContact O-N 3.18Å
185Y97.1Very high96Very high103 Ų10346.4 Ų46.440%0.40425%0.252SS..Hα-helixtrans-64.4-45.7176.3-169.7-83.8000112L162 E181 I182 L183 D187 A188 H189 I193L162-Y185 HydrophobicContact CD1-CD1 3.95Å; L162-Y185 HydrophobicContact CD1-CE1 3.56Å; L162-Y185 HydrophobicContact CD2-CD1 3.92Å; L162-Y185 HydrophobicContact CD2-CE1 4.19Å; L162-Y185 HydrophobicContact CG-CE1 4.47Å; E181-Y185 WeakPolarHBondContact O-CB 3.33Å; E181-Y185 PolarHBondContact O-N 3.15Å; I182-Y185 PolarHBondContact O-N 3.11Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 3.1Å; Y185-D187 VanDerWaalsContact C-N 3.28Å; Y185-D187 PolarHBondContact O-N 2.98Å; Y185-A188 PolarHBondContact O-N 3.34Å; Y185-H189 HydrophobicContact CD1-CB 4.35Å; Y185-H189 AromaticContact CD2-CD2 3.66Å; Y185-H189 HydrophobicContact CE1-CB 3.98Å; Y185-H189 AromaticContact CE1-CD2 3.94Å; Y185-H189 AromaticContact CE2-CD2 3.49Å; Y185-H189 VanDerWaalsContact CE2-CD2 3.49Å; Y185-H189 WeakPolarHBondContact CE2-CD2 3.17Å; Y185-H189 AromaticContact CG-CD2 3.97Å; Y185-H189 AromaticContact CZ-CD2 3.64Å; Y185-H189 WeakPolarHBondContact O-CB 3.45Å; Y185-H189 PolarHBondContact O-N 3.11Å; Y185-I193 HydrophobicContact CD1-CD1 4.39Å; Y185-I193 HydrophobicContact CE1-CD1 4.1Å
186L98.1Very high96.6Very high0 Ų045.8 Ų45.80%025%0.248CC..Hα-helixtrans-61.6-37.3174.9-74.2170.9000111.8L162 I182 L183 G190 I193 V196 I214 V217L162-L186 HydrophobicContact CD2-CD2 3.71Å; L162-L186 HydrophobicContact CD2-CG 4.27Å; I182-L186 HydrophobicContact CG2-CD1 4.18Å; I182-L186 WeakPolarHBondContact O-CG 3.4Å; I182-L186 PolarHBondContact O-N 3.35Å; L183-L186 HydrophobicContact CD2-CD1 4.44Å; L183-L186 PolarHBondContact O-N 3.26Å; L186-G190 WeakPolarHBondContact O-CA 3.26Å; L186-G190 PolarHBondContact O-N 2.84Å; L186-I193 HydrophobicContact CD2-CD1 4.03Å; L186-V196 HydrophobicContact CD2-CG2 3.74Å; L186-I214 HydrophobicContact CD1-CG2 4.37Å; L186-V217 HydrophobicContact CB-CG1 4.06Å; L186-V217 HydrophobicContact CD1-CG1 4.22Å
187D97.8Very high97.1Very high105 Ų10543.3 Ų43.356%0.56124%0.239SC*.Hα-helixtrans-63.9-46177.9-17049000111.8L183 T184 Y185 K221L183-D187 WeakPolarHBondContact O-CB 3.35Å; L183-D187 PolarHBondContact O-N 3.23Å; T184-D187 PolarHBondContact O-N 2.56Å; Y185-D187 VanDerWaalsContact C-N 3.28Å; Y185-D187 PolarHBondContact O-N 2.98Å; D187-K221 PolarHBondContact O-NZ 3.06Å; D187-K221 VanDerWaalsContact OD1-CE 3.29Å; D187-K221 WeakPolarHBondContact OD1-CE 3.23Å; D187-K221 IonicContact OD1-NZ 2.66Å; D187-K221 PolarHBondContact OD1-NZ 3Å
188A98Very high97.3Very high68 Ų6842.3 Ų42.356%0.56223%0.234SC*.Hα-helixtrans-75.4-31.6-178.200000114.4T184 Y185T184-A188 WeakPolarHBondContact O-CB 3.42Å; T184-A188 PolarHBondContact O-N 3.18Å; Y185-A188 PolarHBondContact O-N 3.34Å
189H98.1Very high97.6Very high87 Ų8741.1 Ų41.140%0.40323%0.227SC..Hα-helixtrans-124.5-1.3-168.8-58.3-59.6000114.9Y185 D191 S192 I193Y185-H189 HydrophobicContact CD1-CB 4.35Å; Y185-H189 AromaticContact CD2-CD2 3.66Å; Y185-H189 HydrophobicContact CE1-CB 3.98Å; Y185-H189 AromaticContact CE1-CD2 3.94Å; Y185-H189 AromaticContact CE2-CD2 3.49Å; Y185-H189 VanDerWaalsContact CE2-CD2 3.49Å; Y185-H189 WeakPolarHBondContact CE2-CD2 3.17Å; Y185-H189 AromaticContact CG-CD2 3.97Å; Y185-H189 AromaticContact CZ-CD2 3.64Å; Y185-H189 WeakPolarHBondContact O-CB 3.45Å; Y185-H189 PolarHBondContact O-N 3.11Å; H189-D191 PolarHBondContact O-N 3.37Å; H189-D191 VanDerWaalsContact O-N 3.08Å; H189-S192 PolarHBondContact O-N 2.94Å; H189-S192 PolarHBondContact O-OG 3.21Å; H189-I193 HydrophobicContact CB-CD1 4.37Å
190G98Very high97.7Very high1 Ų140 Ų401%0.0122%0.22CC..G310 helixtrans-51.6-35-173.900000114.8R158 L186 S192 I193R158-G190 PolarHBondContact NH1-O 3.15Å; L186-G190 WeakPolarHBondContact O-CA 3.26Å; L186-G190 PolarHBondContact O-N 2.84Å; G190-S192 PolarHBondContact O-N 3.3Å; G190-I193 PolarHBondContact O-N 3.45Å; G190-I193 VanDerWaalsContact O-N 3.13Å
191D97.9Very high97.8Very high119 Ų11935.8 Ų35.864%0.63620%0.198SC*.G310 helixtrans-64.5-23.2-179.2-68.6-26.2000113.9R158 H189R158-D191 IonicContact NH2-OD1 3.87Å; H189-D191 PolarHBondContact O-N 3.37Å; H189-D191 VanDerWaalsContact O-N 3.08Å
192S98.4Very high97.9Very high42 Ų4233.3 Ų33.329%0.29419%0.187SC..G310 helixtrans-91.6-13178.672.50000114.1T157 R158 K159 V160 H189 G190T157-S192 WeakPolarHBondContact O-CA 3.29Å; R158-S192 CarbonylContact C-O 3.54Å; R158-S192 WeakPolarHBondContact CA-O 3.14Å; K159-S192 PolarHBondContact N-O 3.13Å; V160-S192 WeakPolarHBondContact CB-O 3.3Å; V160-S192 PolarHBondContact N-O 3.29Å; H189-S192 PolarHBondContact O-N 2.94Å; H189-S192 PolarHBondContact O-OG 3.21Å; G190-S192 PolarHBondContact O-N 3.3Å
193I98.6Very high97.8Very high0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-92.7116.3-170.9-61.2168000109.9R158 V160 L162 Y185 L186 H189 G190 L195 V196 C223R158-I193 VanDerWaalsContact CD-O 3.32Å; R158-I193 WeakPolarHBondContact CD-O 3.31Å; R158-I193 WeakPolarHBondContact CG-O 3.09Å; R158-I193 PolarHBondContact NH1-O 3.31Å; V160-I193 HydrophobicContact CB-CG1 4.24Å; V160-I193 HydrophobicContact CG1-CG1 4.22Å; V160-I193 CarbonylContact O-C 3.42Å; L162-I193 HydrophobicContact CB-CD1 4.16Å; L162-I193 HydrophobicContact CB-CG1 4.48Å; L162-I193 HydrophobicContact CB-CG2 3.93Å; L162-I193 HydrophobicContact CD2-CD1 3.89Å; L162-I193 HydrophobicContact CG-CD1 4.48Å; Y185-I193 HydrophobicContact CD1-CD1 4.39Å; Y185-I193 HydrophobicContact CE1-CD1 4.1Å; L186-I193 HydrophobicContact CD2-CD1 4.03Å; H189-I193 HydrophobicContact CB-CD1 4.37Å; G190-I193 PolarHBondContact O-N 3.45Å; G190-I193 VanDerWaalsContact O-N 3.13Å; I193-L195 WeakPolarHBondContact CG2-O 3.49Å; I193-V196 HydrophobicContact CG2-CG2 3.92Å; I193-C223 HydrophobicContact CG2-CB 4.39Å; I193-C223 PolarHBondContact O-SG 2.87Å
194A98.4Very high97.6Very high7 Ų737.4 Ų37.46%0.05820%0.201CC..EExtended strand (participates in β ladder)trans-79.8-42.3174.400000111.4Y152 R158 V160 V224Y152-A194 HydrophobicContact CD2-CB 3.92Å; Y152-A194 HydrophobicContact CE2-CB 3.76Å; R158-A194 HydrophobicContact CG-CB 4.03Å; V160-A194 PolarHBondContact O-N 3.48Å; A194-V224 PolarHBondContact O-N 2.83Å
195L98.5Very high97.5Very high0 Ų032.8 Ų32.80%017%0.173CC..EExtended strand (participates in β ladder)trans-136.9126.2-173.3174.961.6000110M148 Y152 V160 V161 L162 I193 L197 V224 F247M148-L195 HydrophobicContact CG-CD2 4.29Å; Y152-L195 HydrophobicContact CD2-CB 4.11Å; V160-L195 PolarHBondContact O-N 3.4Å; V161-L195 CarbonylContact C-O 3.31Å; V161-L195 VanDerWaalsContact CA-O 3.31Å; V161-L195 WeakPolarHBondContact CA-O 3.39Å; V161-L195 HydrophobicContact CG1-CB 4.35Å; V161-L195 HydrophobicContact CG1-CD2 4.16Å; V161-L195 HydrophobicContact CG1-CG 4.27Å; V161-L195 HydrophobicContact CG2-CB 4.4Å; L162-L195 PolarHBondContact N-O 3.37Å; I193-L195 WeakPolarHBondContact CG2-O 3.49Å; L195-L197 HydrophobicContact CD2-CB 4.24Å; L195-L197 HydrophobicContact CG-CB 4.12Å; L195-V224 CarbonylContact C-O 3.46Å; L195-V224 WeakPolarHBondContact CA-O 3.02Å; L195-V224 HydrophobicContact CD1-CB 4.17Å; L195-V224 HydrophobicContact CD1-CG1 4.02Å; L195-F247 HydrophobicContact CD1-CE1 3.62Å; L195-F247 HydrophobicContact CD1-CZ 3.73Å; L195-F247 HydrophobicContact CD2-CZ 4.43Å
196V98.5Very high97.4Very high0 Ų027.9 Ų27.90%015%0.154CC..EExtended strand (participates in β ladder)trans-94120.2160.8-178.80000106.6L162 L186 I193 F198 I214 C223 V224 V225 G226L162-V196 HydrophobicContact CB-CG2 4.47Å; L162-V196 HydrophobicContact CD2-CG2 4.42Å; L186-V196 HydrophobicContact CD2-CG2 3.74Å; I193-V196 HydrophobicContact CG2-CG2 3.92Å; V196-F198 HydrophobicContact CG1-CD2 3.87Å; V196-F198 HydrophobicContact CG1-CE2 4.21Å; V196-F198 HydrophobicContact CG1-CG 4.49Å; V196-I214 HydrophobicContact CG1-CG2 4.45Å; V196-C223 HydrophobicContact CG2-CB 4.02Å; V196-V224 PolarHBondContact N-O 2.78Å; V196-V225 HydrophobicContact CB-CB 4.44Å; V196-V225 HydrophobicContact CB-CG1 4.1Å; V196-V225 HydrophobicContact CB-CG2 4.18Å; V196-V225 HydrophobicContact CG1-CG1 4.21Å; V196-V225 HydrophobicContact CG2-CG2 4.33Å; V196-G226 PolarHBondContact O-N 2.95Å
197L98Very high97.4Very high9 Ų928.2 Ų28.25%0.04716%0.155CC..EExtended strand (participates in β ladder)trans-129.995.3179.4179.861.9000109.3L144 M148 V161 L162 M163 L195 G226 F247L144-L197 HydrophobicContact CD2-CD1 4.34Å; M148-L197 HydrophobicContact CG-CD2 4.27Å; M148-L197 HydrophobicContact SD-CD2 3.92Å; V161-L197 HydrophobicContact CG1-CB 4.44Å; L162-L197 PolarHBondContact O-N 2.64Å; M163-L197 HydrophobicContact CE-CD2 4.32Å; M163-L197 HydrophobicContact CG-CB 4.43Å; L195-L197 HydrophobicContact CD2-CB 4.24Å; L195-L197 HydrophobicContact CG-CB 4.12Å; L197-G226 WeakPolarHBondContact CA-O 3.3Å; L197-F247 HydrophobicContact CD1-CE2 4.09Å; L197-F247 HydrophobicContact CD1-CZ 4.26Å
198F97.8Very high97.4Very high5 Ų524.9 Ų24.92%0.02214%0.135CC..EExtended strand (participates in β ladder)trans-111.3151.7-176.7-88.3-140.4000111.6L162 E164 I182 V196 F209 G226 W227 D228L162-F198 HydrophobicContact CD2-CE2 4.37Å; L162-F198 HydrophobicContact CG-CE2 3.93Å; L162-F198 HydrophobicContact CG-CZ 4.4Å; E164-F198 HydrophobicContact CB-CD1 4.06Å; E164-F198 HydrophobicContact CB-CE1 3.85Å; E164-F198 HydrophobicContact CB-CE2 4.32Å; E164-F198 HydrophobicContact CB-CG 4.4Å; E164-F198 HydrophobicContact CB-CZ 3.98Å; E164-F198 VanDerWaalsContact N-CE2 3.29Å; E164-F198 VanDerWaalsContact OE2-CA 3.24Å; E164-F198 WeakPolarHBondContact OE2-CA 3.48Å; I182-F198 HydrophobicContact CD1-CE1 3.83Å; I182-F198 HydrophobicContact CG1-CE1 4.1Å; I182-F198 HydrophobicContact CG2-CE1 4.09Å; I182-F198 HydrophobicContact CG2-CZ 4.32Å; V196-F198 HydrophobicContact CG1-CD2 3.87Å; V196-F198 HydrophobicContact CG1-CE2 4.21Å; V196-F198 HydrophobicContact CG1-CG 4.49Å; F198-F209 HydrophobicContact CD1-CD1 4.39Å; F198-F209 HydrophobicContact CD1-CE1 4.35Å; F198-F209 HydrophobicContact CD1-CZ 4.47Å; F198-F209 HydrophobicContact CE1-CE1 4.43Å; F198-G226 PolarHBondContact N-O 2.84Å; F198-W227 HydrophobicContact CB-CE3 3.78Å; F198-W227 HydrophobicContact CB-CH2 4.09Å; F198-W227 HydrophobicContact CB-CZ3 3.51Å; F198-W227 CarbonylContact O-C 3.57Å; F198-W227 VanDerWaalsContact O-CA 3.28Å; F198-W227 WeakPolarHBondContact O-CA 3.23Å; F198-D228 PolarHBondContact O-N 2.98Å
199S97.5Very high97.4Very high17 Ų1721.7 Ų21.712%0.11911%0.109CC..EExtended strand (participates in β ladder)trans-67.5141.5161.5-54.10000110.1E164 V201 F209 W227 D228E164-S199 WeakPolarHBondContact OE1-CB 3.01Å; E164-S199 PolarHBondContact OE1-N 3.13Å; E164-S199 PolarHBondContact OE1-OG 3.32Å; E164-S199 PolarHBondContact OE2-N 3.23Å; S199-V201 WeakPolarHBondContact CB-O 3.27Å; S199-F209 WeakPolarHBondContact O-CD2 3.34Å; S199-W227 WeakPolarHBondContact O-CZ3 2.91Å; S199-D228 CarbonylContact C-O 3.43Å; S199-D228 WeakPolarHBondContact CA-O 3.47Å
200G98Very high97.4Very high0 Ų020.1 Ų20.10%010%0.103CC..SBendtrans-66.9-44169.600000111.3Y208 F209 D228G200-Y208 WeakPolarHBondContact O-CD2 3.07Å; G200-F209 PolarHBondContact O-N 2.67Å; G200-D228 PolarHBondContact N-O 3.41Å
201V97.9Very high97.4Very high2 Ų220 Ų201%0.01210%0.102CC..BIsolated β-bridgetrans-121.1121.6168.9175.30000108.7S199 Y203 Q207 Y208 H231 A232 V236S199-V201 WeakPolarHBondContact CB-O 3.27Å; V201-Y203 PolarHBondContact O-N 2.94Å; V201-Q207 CarbonylContact C-O 3.58Å; V201-Q207 WeakPolarHBondContact CA-O 3.4Å; V201-Y208 HydrophobicContact CG2-CD2 3.91Å; V201-Y208 HydrophobicContact CG2-CG 4.35Å; V201-H231 HydrophobicContact CB-CB 3.9Å; V201-H231 HydrophobicContact CG1-CB 4.12Å; V201-H231 WeakPolarHBondContact O-CB 3.17Å; V201-A232 HydrophobicContact CB-CB 4.42Å; V201-A232 HydrophobicContact CG2-CB 3.93Å; V201-V236 HydrophobicContact CG2-CG1 4.1Å; V201-V236 HydrophobicContact CG2-CG2 4.02Å
202N96.2Very high97.5Very high10 Ų1016.5 Ų16.55%0.0539%0.086CC..  trans-62.9124177.6-173.5-83.8000110Y204 S205 G206 Q207 F209N202-Y204 PolarHBondContact O-N 3.34Å; N202-Y204 WeakPolarHBondContact OD1-CA 3.47Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.32Å; N202-Y204 PolarHBondContact OD1-N 2.96Å; N202-S205 WeakPolarHBondContact CB-OG 3.45Å; N202-S205 PolarHBondContact OD1-N 2.74Å; N202-S205 PolarHBondContact OD1-OG 3.1Å; N202-G206 VanDerWaalsContact O-CA 3.22Å; N202-G206 WeakPolarHBondContact O-CA 3.4Å; N202-G206 PolarHBondContact O-N 2.88Å; N202-Q207 HydrophobicContact CB-CB 4.21Å; N202-Q207 PolarHBondContact N-O 3.36Å; N202-F209 HydrophobicContact CB-CE2 3.91Å; N202-F209 HydrophobicContact CB-CZ 4.39Å
203Y95Very high97.5Very high83 Ų8320 Ų2033%0.3259%0.092SC..THydrogen-bonded Turntrans-58.7-37.7-177.284.7-84.1000112.1K166 V201 H231 Q373 R405K166-Y203 WeakPolarHBondContact CE-OH 3.24Å; K166-Y203 PolarHBondContact NZ-OH 3.29Å; V201-Y203 PolarHBondContact O-N 2.94Å; Y203-H231 WeakPolarHBondContact CB-NE2 3.46Å; Y203-Q373 PolarHBondContact O-NE2 3.27Å; Y203-Q373 PolarHBondContact O-OE1 3.07Å; Y203-R405 VanDerWaalsContact O-CD 3.27Å; Y203-R405 WeakPolarHBondContact O-CD 3.11Å; Y203-R405 PolarHBondContact O-NH1 3.29Å
204Y94.6Very high97.5Very high30 Ų3020 Ų2012%0.1189%0.092CC..THydrogen-bonded Turntrans-84.3-51.1-169.2-174.5-105.3000112.3K166 N202 I362 S375 R399 V403K166-Y204 HydrophobicContact CD-CD1 4.01Å; K166-Y204 HydrophobicContact CD-CE1 4.27Å; K166-Y204 HydrophobicContact CD-CG 4.12Å; K166-Y204 HydrophobicContact CG-CD1 4.27Å; N202-Y204 PolarHBondContact O-N 3.34Å; N202-Y204 WeakPolarHBondContact OD1-CA 3.47Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.32Å; N202-Y204 PolarHBondContact OD1-N 2.96Å; Y204-I362 HydrophobicContact CD1-CD1 3.92Å; Y204-I362 HydrophobicContact CE1-CD1 3.46Å; Y204-I362 VanDerWaalsContact CE1-CD1 3.46Å; Y204-S375 WeakPolarHBondContact O-CB 3.46Å; Y204-S375 PolarHBondContact O-OG 3.46Å; Y204-R399 HydrophobicContact CD2-CB 4.37Å; Y204-R399 HydrophobicContact CD2-CG 4.27Å; Y204-R399 HydrophobicContact CE2-CB 3.88Å; Y204-R399 HydrophobicContact CE2-CG 4.28Å; Y204-V403 HydrophobicContact CE2-CB 4.19Å; Y204-V403 HydrophobicContact CE2-CG1 4.22Å; Y204-V403 HydrophobicContact CE2-CG2 4.26Å; Y204-V403 WeakPolarHBondContact OH-CG2 3.04Å
205S94.5Very high97.5Very high1 Ų119.7 Ų19.71%0.0079%0.09CC..THydrogen-bonded Turntrans-83.6-21.9179.862.90000112.6N202 Q207 T363N202-S205 WeakPolarHBondContact CB-OG 3.45Å; N202-S205 PolarHBondContact OD1-N 2.74Å; N202-S205 PolarHBondContact OD1-OG 3.1Å; S205-Q207 PolarHBondContact O-N 3Å; S205-Q207 VanDerWaalsContact OG-CB 3.31Å; S205-Q207 WeakPolarHBondContact OG-CB 3.43Å; S205-Q207 PolarHBondContact OG-N 3.23Å; S205-T363 WeakPolarHBondContact O-CA 3.22Å; S205-T363 WeakPolarHBondContact O-CB 3.4Å; S205-T363 WeakPolarHBondContact O-CG2 3.28Å; S205-T363 PolarHBondContact O-OG1 3.49Å
206G96.3Very high97.5Very high0 Ų023.5 Ų23.50%012%0.117CC..  trans767.7-170.900000113.5N202 Y208 R370 G371N202-G206 VanDerWaalsContact O-CA 3.22Å; N202-G206 WeakPolarHBondContact O-CA 3.4Å; N202-G206 PolarHBondContact O-N 2.88Å; G206-Y208 PolarHBondContact O-N 2.93Å; G206-R370 VanDerWaalsContact O-CA 3.28Å; G206-R370 WeakPolarHBondContact O-CA 3.18Å; G206-G371 PolarHBondContact O-N 3.12Å
207Q97Very high97.5Very high7 Ų725.3 Ų25.33%0.03313%0.128CC..BIsolated β-bridgetrans-61.2127.7177.4174.8177.218.900110.8W176 L177 V201 N202 S205 F209 P364 E369W176-Q207 HydrophobicContact CB-CB 4.37Å; W176-Q207 VanDerWaalsContact CB-OE1 3.26Å; L177-Q207 PolarHBondContact O-NE2 3.46Å; V201-Q207 CarbonylContact C-O 3.58Å; V201-Q207 WeakPolarHBondContact CA-O 3.4Å; N202-Q207 HydrophobicContact CB-CB 4.21Å; N202-Q207 PolarHBondContact N-O 3.36Å; S205-Q207 PolarHBondContact O-N 3Å; S205-Q207 VanDerWaalsContact OG-CB 3.31Å; S205-Q207 WeakPolarHBondContact OG-CB 3.43Å; S205-Q207 PolarHBondContact OG-N 3.23Å; Q207-F209 HydrophobicContact CG-CD1 4.43Å; Q207-F209 HydrophobicContact CG-CE1 4.35Å; Q207-F209 HydrophobicContact CG-CZ 4.47Å; Q207-P364 HydrophobicContact CB-CG 3.87Å; Q207-P364 HydrophobicContact CG-CG 4.04Å; Q207-E369 CarbonylContact C-O 3.6Å; Q207-E369 WeakPolarHBondContact CA-O 3.48Å
208Y98.2Very high97.5Very high34 Ų3424.9 Ų24.913%0.13313%0.126CC..BIsolated β-bridgetrans-90.9118.7166.6177.8-144.3000108.6G200 V201 G206 I211 V236 P237 W243 E368 E369G200-Y208 WeakPolarHBondContact O-CD2 3.07Å; V201-Y208 HydrophobicContact CG2-CD2 3.91Å; V201-Y208 HydrophobicContact CG2-CG 4.35Å; G206-Y208 PolarHBondContact O-N 2.93Å; Y208-I211 HydrophobicContact CE2-CD1 3.89Å; Y208-I211 HydrophobicContact CE2-CG1 4.26Å; Y208-V236 HydrophobicContact CD1-CB 4.4Å; Y208-V236 HydrophobicContact CD1-CG1 4.28Å; Y208-V236 HydrophobicContact CD2-CB 4.44Å; Y208-V236 HydrophobicContact CD2-CG1 4.45Å; Y208-V236 HydrophobicContact CD2-CG2 3.84Å; Y208-V236 HydrophobicContact CE1-CB 4.28Å; Y208-V236 HydrophobicContact CE1-CG2 4.41Å; Y208-V236 HydrophobicContact CE2-CB 4.35Å; Y208-V236 HydrophobicContact CE2-CG2 3.63Å; Y208-V236 HydrophobicContact CG-CB 4.49Å; Y208-V236 HydrophobicContact CG-CG1 4.19Å; Y208-V236 HydrophobicContact CG-CG2 4.36Å; Y208-P237 PolarHBondContact OH-O 2.96Å; Y208-P237 VanDerWaalsContact OH-O 3.12Å; Y208-W243 WeakPolarHBondContact OH-CH2 3.33Å; Y208-E368 WeakPolarHBondContact CD1-O 3.19Å; Y208-E369 PolarHBondContact N-O 3.41Å
209F98.1Very high97.6Very high2 Ų227.4 Ų27.41%0.00914%0.137CC..PPolyproline II helixtrans-80.8152.5-179.4-69.7-80.8000111.6E164 I182 F198 S199 G200 N202 Q207 I211 I214 W227E164-F209 HydrophobicContact CB-CZ 4.15Å; E164-F209 HydrophobicContact CG-CE2 4.24Å; E164-F209 HydrophobicContact CG-CZ 4.06Å; I182-F209 HydrophobicContact CD1-CD1 3.72Å; I182-F209 HydrophobicContact CD1-CE1 3.78Å; F198-F209 HydrophobicContact CD1-CD1 4.39Å; F198-F209 HydrophobicContact CD1-CE1 4.35Å; F198-F209 HydrophobicContact CD1-CZ 4.47Å; F198-F209 HydrophobicContact CE1-CE1 4.43Å; S199-F209 WeakPolarHBondContact O-CD2 3.34Å; G200-F209 PolarHBondContact O-N 2.67Å; N202-F209 HydrophobicContact CB-CE2 3.91Å; N202-F209 HydrophobicContact CB-CZ 4.39Å; Q207-F209 HydrophobicContact CG-CD1 4.43Å; Q207-F209 HydrophobicContact CG-CE1 4.35Å; Q207-F209 HydrophobicContact CG-CZ 4.47Å; F209-I211 PolarHBondContact O-N 2.9Å; F209-I214 HydrophobicContact CB-CD1 4.11Å; F209-I214 HydrophobicContact CD1-CD1 4.37Å; F209-W227 HydrophobicContact CB-CH2 4.16Å; F209-W227 HydrophobicContact CB-CZ3 3.93Å
210D98.3Very high97.6Very high53 Ų5330.7 Ų30.728%0.28317%0.165SC..  trans-73.276.2172.4-173-11.3000110.5T179 P212 R213 I214T179-D210 HydrophobicContact CG2-CB 3.82Å; D210-P212 WeakPolarHBondContact OD1-CD 3.38Å; D210-P212 WeakPolarHBondContact OD1-CG 3.45Å; D210-R213 HydrophobicContact CB-CB 4.32Å; D210-R213 PolarHBondContact O-N 3.14Å; D210-R213 VanDerWaalsContact OD1-CB 3.26Å; D210-R213 WeakPolarHBondContact OD1-CB 3.33Å; D210-R213 PolarHBondContact OD1-N 2.91Å; D210-R213 VanDerWaalsContact OD1-N 3.17Å; D210-R213 WeakPolarHBondContact OD2-CB 3.43Å; D210-R213 WeakPolarHBondContact OD2-CD 3.28Å; D210-I214 WeakPolarHBondContact O-CB 3.49Å; D210-I214 WeakPolarHBondContact O-CG1 3.45Å; D210-I214 PolarHBondContact O-N 3.18Å
211I98.7Very high97.6Very high0 Ų033.2 Ų33.20%018%0.175CC..Hα-helixtrans-49.4-53.1-179.1-64.6177.3000112.3Y208 F209 R213 T215 W227 L229 L238 W243 V245Y208-I211 HydrophobicContact CE2-CD1 3.89Å; Y208-I211 HydrophobicContact CE2-CG1 4.26Å; F209-I211 PolarHBondContact O-N 2.9Å; I211-R213 PolarHBondContact O-N 3.35Å; I211-T215 WeakPolarHBondContact O-CB 3.24Å; I211-T215 PolarHBondContact O-N 2.97Å; I211-T215 PolarHBondContact O-OG1 2.92Å; I211-W227 HydrophobicContact CB-CH2 4.27Å; I211-W227 HydrophobicContact CB-CZ2 4.07Å; I211-W227 HydrophobicContact CD1-CE3 4.37Å; I211-W227 HydrophobicContact CG1-CD2 4.08Å; I211-W227 HydrophobicContact CG1-CE3 3.89Å; I211-W227 HydrophobicContact CG1-CH2 3.88Å; I211-W227 HydrophobicContact CG1-CZ2 4.08Å; I211-W227 HydrophobicContact CG1-CZ3 3.79Å; I211-W227 HydrophobicContact CG2-CD2 4.17Å; I211-W227 HydrophobicContact CG2-CZ2 3.99Å; I211-L229 HydrophobicContact CD1-CD2 4.05Å; I211-L238 HydrophobicContact CD1-CD2 3.64Å; I211-W243 HydrophobicContact CB-CE3 4.05Å; I211-W243 HydrophobicContact CB-CZ3 4.01Å; I211-W243 HydrophobicContact CD1-CZ3 4.08Å; I211-W243 HydrophobicContact CG2-CD2 4.45Å; I211-W243 HydrophobicContact CG2-CE3 3.56Å; I211-W243 HydrophobicContact CG2-CZ3 3.92Å; I211-V245 HydrophobicContact CG2-CG2 3.84Å
212P98.7Very high97.5Very high44 Ų4435.4 Ų35.429%0.28620%0.198SC..Hα-helixtrans-63.3-41.8-176.920.8-30.5000112.7D210 S216 W243D210-P212 WeakPolarHBondContact OD1-CD 3.38Å; D210-P212 WeakPolarHBondContact OD1-CG 3.45Å; P212-S216 VanDerWaalsContact O-CB 3.29Å; P212-S216 WeakPolarHBondContact O-CB 3.4Å; P212-S216 PolarHBondContact O-N 2.87Å; P212-W243 HydrophobicContact CB-CB 4.22Å; P212-W243 HydrophobicContact CB-CD2 4.25Å; P212-W243 HydrophobicContact CB-CG 3.8Å; P212-W243 HydrophobicContact CG-CD2 4.36Å; P212-W243 HydrophobicContact CG-CG 4.4Å
213R98.5Very high97.6Very high115 Ų11535.2 Ų35.243%0.43420%0.198SC..Hα-helixtrans-71.6-42.9-177.7-163.8172.5174.7-157.2-13.7112.1D180 L183 D210 I211 S216 V217D180-R213 IonicContact OD1-CZ 2.72Å; D180-R213 IonicContact OD1-NH1 3.93Å; D180-R213 IonicContact OD1-NH2 3.62Å; D180-R213 PolarHBondContact OD1-NH2 3.27Å; D180-R213 VanDerWaalsContact OD1-NH2 3.13Å; L183-R213 HydrophobicContact CD1-CG 3.84Å; L183-R213 VanDerWaalsContact CD1-CZ 3.46Å; L183-R213 HydrophobicContact CD2-CG 4.5Å; D210-R213 HydrophobicContact CB-CB 4.32Å; D210-R213 PolarHBondContact O-N 3.14Å; D210-R213 VanDerWaalsContact OD1-CB 3.26Å; D210-R213 WeakPolarHBondContact OD1-CB 3.33Å; D210-R213 PolarHBondContact OD1-N 2.91Å; D210-R213 VanDerWaalsContact OD1-N 3.17Å; D210-R213 WeakPolarHBondContact OD2-CB 3.43Å; D210-R213 WeakPolarHBondContact OD2-CD 3.28Å; I211-R213 PolarHBondContact O-N 3.35Å; R213-S216 PolarHBondContact O-N 2.78Å; R213-V217 WeakPolarHBondContact O-CG2 3.05Å; R213-V217 PolarHBondContact O-N 3Å
214I98.7Very high97.8Very high0 Ų032.3 Ų32.30%019%0.189CC..Hα-helixtrans-64.2-42.5176.5-67.8165.2000110.5I182 L183 L186 V196 F209 D210 G218 W227I182-I214 HydrophobicContact CD1-CD1 3.82Å; I182-I214 HydrophobicContact CG2-CD1 4.15Å; I182-I214 HydrophobicContact CG2-CG1 4.04Å; I182-I214 HydrophobicContact CG2-CG2 4.3Å; L183-I214 HydrophobicContact CD2-CG1 4.25Å; L186-I214 HydrophobicContact CD1-CG2 4.37Å; V196-I214 HydrophobicContact CG1-CG2 4.45Å; F209-I214 HydrophobicContact CB-CD1 4.11Å; F209-I214 HydrophobicContact CD1-CD1 4.37Å; D210-I214 WeakPolarHBondContact O-CB 3.49Å; D210-I214 WeakPolarHBondContact O-CG1 3.45Å; D210-I214 PolarHBondContact O-N 3.18Å; I214-G218 PolarHBondContact O-N 3.17Å; I214-W227 HydrophobicContact CB-CH2 3.97Å; I214-W227 HydrophobicContact CB-CZ2 3.88Å; I214-W227 HydrophobicContact CD1-CH2 3.94Å; I214-W227 HydrophobicContact CG2-CH2 3.9Å; I214-W227 HydrophobicContact CG2-CZ2 3.77Å
215T98.8Very high98Very high1 Ų130.9 Ų30.91%0.00618%0.183CC..Hα-helixtrans-60.3-50175.8-60.30000111.5I211 V217 G218 K219 V225 W227 V245I211-T215 WeakPolarHBondContact O-CB 3.24Å; I211-T215 PolarHBondContact O-N 2.97Å; I211-T215 PolarHBondContact O-OG1 2.92Å; T215-V217 PolarHBondContact O-N 2.95Å; T215-G218 PolarHBondContact O-N 3.42Å; T215-K219 HydrophobicContact CG2-CD 3.8Å; T215-K219 HydrophobicContact CG2-CG 4.45Å; T215-K219 WeakPolarHBondContact O-CB 3.43Å; T215-K219 VanDerWaalsContact O-CG 3.29Å; T215-K219 WeakPolarHBondContact O-CG 3.42Å; T215-K219 PolarHBondContact O-N 3.48Å; T215-V225 HydrophobicContact CG2-CB 4.4Å; T215-V225 HydrophobicContact CG2-CG1 4.49Å; T215-W227 PolarHBondContact OG1-NE1 3.28Å; T215-V245 HydrophobicContact CG2-CG2 4.3Å
216S98.6Very high98.2Very high80 Ų8030.9 Ų30.956%0.55918%0.183SC*.Hα-helixtrans-58.3-49179.6-178.70000112.3P212 R213 A220P212-S216 VanDerWaalsContact O-CB 3.29Å; P212-S216 WeakPolarHBondContact O-CB 3.4Å; P212-S216 PolarHBondContact O-N 2.87Å; R213-S216 PolarHBondContact O-N 2.78Å; S216-A220 WeakPolarHBondContact O-CB 3.49Å; S216-A220 PolarHBondContact O-N 3.3Å
217V98.5Very high98.3Very high39 Ų3930.9 Ų30.924%0.23618%0.183CC..Hα-helixtrans-70-41.8-178.8173.60000112L183 L186 R213 T215 K219 A220 K221L183-V217 HydrophobicContact CD2-CB 3.81Å; L183-V217 HydrophobicContact CD2-CG1 4.08Å; L183-V217 HydrophobicContact CD2-CG2 3.82Å; L186-V217 HydrophobicContact CB-CG1 4.06Å; L186-V217 HydrophobicContact CD1-CG1 4.22Å; R213-V217 WeakPolarHBondContact O-CG2 3.05Å; R213-V217 PolarHBondContact O-N 3Å; T215-V217 PolarHBondContact O-N 2.95Å; V217-K219 PolarHBondContact O-N 3.27Å; V217-A220 PolarHBondContact O-N 3.15Å; V217-K221 WeakPolarHBondContact O-CG 3.48Å; V217-K221 PolarHBondContact O-N 3.39Å; V217-K221 VanDerWaalsContact O-N 3.14Å
218G98.5Very high98.4Very high0 Ų032 Ų320%019%0.19CC..Hα-helixtrans-59.6-45.9176.500000111.9I214 T215 K221 G222 C223I214-G218 PolarHBondContact O-N 3.17Å; T215-G218 PolarHBondContact O-N 3.42Å; G218-K221 PolarHBondContact O-N 2.84Å; G218-G222 PolarHBondContact O-N 2.9Å; G218-C223 VanDerWaalsContact O-CB 3.25Å; G218-C223 WeakPolarHBondContact O-CB 3.39Å; G218-C223 PolarHBondContact O-N 2.82Å; G218-C223 PolarHBondContact O-SG 2.94Å; G218-C223 VanDerWaalsContact O-SG 3.35Å
219K98.1Very high98.4Very high58 Ų5830.4 Ų30.425%0.25218%0.183SC..Hα-helixtrans-66.2-39176.5-70179.867151.30112.4T215 V217 K221 G222 V225 K244 D246T215-K219 HydrophobicContact CG2-CD 3.8Å; T215-K219 HydrophobicContact CG2-CG 4.45Å; T215-K219 WeakPolarHBondContact O-CB 3.43Å; T215-K219 VanDerWaalsContact O-CG 3.29Å; T215-K219 WeakPolarHBondContact O-CG 3.42Å; T215-K219 PolarHBondContact O-N 3.48Å; V217-K219 PolarHBondContact O-N 3.27Å; K219-K221 PolarHBondContact O-N 2.62Å; K219-G222 WeakPolarHBondContact O-CA 3.43Å; K219-G222 PolarHBondContact O-N 3.42Å; K219-V225 HydrophobicContact CG-CB 4.44Å; K219-V225 HydrophobicContact CG-CG2 3.9Å; K219-K244 WeakPolarHBondContact CD-O 3.31Å; K219-K244 PolarHBondContact NZ-O 2.89Å; K219-D246 VanDerWaalsContact CE-OD1 3.26Å; K219-D246 WeakPolarHBondContact CE-OD1 3.28Å; K219-D246 IonicContact NZ-OD1 3.57Å; K219-D246 PolarHBondContact NZ-OD1 2.9Å
220A98.2Very high98.4Very high86 Ų8630.6 Ų30.671%0.71119%0.185SC*.Hα-helixtrans-60.7-26.5174.500000112.8S216 V217 G222S216-A220 WeakPolarHBondContact O-CB 3.49Å; S216-A220 PolarHBondContact O-N 3.3Å; V217-A220 PolarHBondContact O-N 3.15Å; A220-G222 VanDerWaalsContact C-N 3.3Å
221K98Very high98.4Very high52 Ų5228.8 Ų28.823%0.22618%0.175CC..THydrogen-bonded Turntrans-876.6172.8-66.2-75.3171.31610113.7R158 D187 V217 G218 K219 C223R158-K221 VanDerWaalsContact CZ-O 3.28Å; R158-K221 PolarHBondContact NH1-O 3.48Å; R158-K221 PolarHBondContact NH2-O 3.28Å; D187-K221 PolarHBondContact O-NZ 3.06Å; D187-K221 VanDerWaalsContact OD1-CE 3.29Å; D187-K221 WeakPolarHBondContact OD1-CE 3.23Å; D187-K221 IonicContact OD1-NZ 2.66Å; D187-K221 PolarHBondContact OD1-NZ 3Å; V217-K221 WeakPolarHBondContact O-CG 3.48Å; V217-K221 PolarHBondContact O-N 3.39Å; V217-K221 VanDerWaalsContact O-N 3.14Å; G218-K221 PolarHBondContact O-N 2.84Å; K219-K221 PolarHBondContact O-N 2.62Å; K221-C223 VanDerWaalsContact C-N 3.31Å; K221-C223 PolarHBondContact O-N 3.46Å
222G97Very high98.4Very high48 Ų4828.8 Ų28.850%0.49518%0.175SC..THydrogen-bonded Turntrans74.815-17900000114.6R158 G218 K219 A220R158-G222 VanDerWaalsContact NH1-C 3.33Å; R158-G222 PolarHBondContact NH1-O 2.81Å; G218-G222 PolarHBondContact O-N 2.9Å; K219-G222 WeakPolarHBondContact O-CA 3.43Å; K219-G222 PolarHBondContact O-N 3.42Å; A220-G222 VanDerWaalsContact C-N 3.3Å
223C98.2Very high98.4Very high6 Ų626.8 Ų26.84%0.04116%0.162CC..  trans-80.3148.1174.2-45.50000109.8I193 V196 G218 K221 V225I193-C223 HydrophobicContact CG2-CB 4.39Å; I193-C223 PolarHBondContact O-SG 2.87Å; V196-C223 HydrophobicContact CG2-CB 4.02Å; G218-C223 VanDerWaalsContact O-CB 3.25Å; G218-C223 WeakPolarHBondContact O-CB 3.39Å; G218-C223 PolarHBondContact O-N 2.82Å; G218-C223 PolarHBondContact O-SG 2.94Å; G218-C223 VanDerWaalsContact O-SG 3.35Å; K221-C223 VanDerWaalsContact C-N 3.31Å; K221-C223 PolarHBondContact O-N 3.46Å; C223-V225 HydrophobicContact CB-CG2 4.5Å
224V98.2Very high98.4Very high23 Ų2321.3 Ų21.314%0.13914%0.142CC..EExtended strand (participates in β ladder)trans-75.4136.6156.9179.20000107.9F151 A194 L195 V196 D246 F247F151-V224 HydrophobicContact CB-CG1 4.12Å; F151-V224 HydrophobicContact CD1-CG1 3.7Å; F151-V224 HydrophobicContact CG-CG1 4.29Å; A194-V224 PolarHBondContact O-N 2.83Å; L195-V224 CarbonylContact C-O 3.46Å; L195-V224 WeakPolarHBondContact CA-O 3.02Å; L195-V224 HydrophobicContact CD1-CB 4.17Å; L195-V224 HydrophobicContact CD1-CG1 4.02Å; V196-V224 PolarHBondContact N-O 2.78Å; V224-D246 WeakPolarHBondContact CA-OD2 3.43Å; V224-D246 HydrophobicContact CG1-CB 3.97Å; V224-F247 HydrophobicContact CG1-CD1 4.05Å; V224-F247 HydrophobicContact CG1-CE1 3.81Å
225V98.6Very high98.4Very high0 Ų021.3 Ų21.30%014%0.142CC..EExtended strand (participates in β ladder)trans-121.4109.8-179.9-1720000110.9V196 T215 K219 C223 W227 D246V196-V225 HydrophobicContact CB-CB 4.44Å; V196-V225 HydrophobicContact CB-CG1 4.1Å; V196-V225 HydrophobicContact CB-CG2 4.18Å; V196-V225 HydrophobicContact CG1-CG1 4.21Å; V196-V225 HydrophobicContact CG2-CG2 4.33Å; T215-V225 HydrophobicContact CG2-CB 4.4Å; T215-V225 HydrophobicContact CG2-CG1 4.49Å; K219-V225 HydrophobicContact CG-CB 4.44Å; K219-V225 HydrophobicContact CG-CG2 3.9Å; C223-V225 HydrophobicContact CB-CG2 4.5Å; V225-W227 HydrophobicContact CG1-CZ2 4.46Å; V225-D246 PolarHBondContact N-OD2 3.36Å; V225-D246 WeakPolarHBondContact O-CB 3.36Å; V225-D246 PolarHBondContact O-N 3.45Å; V225-D246 VanDerWaalsContact O-N 3.16Å
226G98.6Very high98.4Very high0 Ų021.3 Ų21.30%014%0.141CC..EExtended strand (participates in β ladder)trans-114.2155.6177.700000113.4V196 L197 F198 F247V196-G226 PolarHBondContact O-N 2.95Å; L197-G226 WeakPolarHBondContact CA-O 3.3Å; F198-G226 PolarHBondContact N-O 2.84Å; G226-F247 WeakPolarHBondContact CA-O 3.4Å
227W98.8Very high98.3Very high0 Ų019.2 Ų19.20%013%0.126CC..EExtended strand (participates in β ladder)trans-129.9130.8-177.3-64.886.8000113.9F198 S199 F209 I211 I214 T215 V225 L229 F247 A248 T249F198-W227 HydrophobicContact CB-CE3 3.78Å; F198-W227 HydrophobicContact CB-CH2 4.09Å; F198-W227 HydrophobicContact CB-CZ3 3.51Å; F198-W227 CarbonylContact O-C 3.57Å; F198-W227 VanDerWaalsContact O-CA 3.28Å; F198-W227 WeakPolarHBondContact O-CA 3.23Å; S199-W227 WeakPolarHBondContact O-CZ3 2.91Å; F209-W227 HydrophobicContact CB-CH2 4.16Å; F209-W227 HydrophobicContact CB-CZ3 3.93Å; I211-W227 HydrophobicContact CB-CH2 4.27Å; I211-W227 HydrophobicContact CB-CZ2 4.07Å; I211-W227 HydrophobicContact CD1-CE3 4.37Å; I211-W227 HydrophobicContact CG1-CD2 4.08Å; I211-W227 HydrophobicContact CG1-CE3 3.89Å; I211-W227 HydrophobicContact CG1-CH2 3.88Å; I211-W227 HydrophobicContact CG1-CZ2 4.08Å; I211-W227 HydrophobicContact CG1-CZ3 3.79Å; I211-W227 HydrophobicContact CG2-CD2 4.17Å; I211-W227 HydrophobicContact CG2-CZ2 3.99Å; I214-W227 HydrophobicContact CB-CH2 3.97Å; I214-W227 HydrophobicContact CB-CZ2 3.88Å; I214-W227 HydrophobicContact CD1-CH2 3.94Å; I214-W227 HydrophobicContact CG2-CH2 3.9Å; I214-W227 HydrophobicContact CG2-CZ2 3.77Å; T215-W227 PolarHBondContact OG1-NE1 3.28Å; V225-W227 HydrophobicContact CG1-CZ2 4.46Å; W227-L229 HydrophobicContact CB-CD2 3.79Å; W227-L229 HydrophobicContact CB-CG 4.09Å; W227-F247 PolarHBondContact N-O 3.01Å; W227-A248 HydrophobicContact CB-CB 4.17Å; W227-A248 CarbonylContact O-C 3.53Å; W227-A248 WeakPolarHBondContact O-CA 3.29Å; W227-A248 WeakPolarHBondContact O-CB 3.27Å; W227-T249 PolarHBondContact O-N 2.89Å
228D98.6Very high98.4Very high32 Ų3217.8 Ų17.817%0.17112%0.117CC..EExtended strand (participates in β ladder)trans-83.9107.5162.6-177.6-19.1000109L144 F198 S199 G200 A230L144-D228 HydrophobicContact CD2-CB 4.29Å; F198-D228 PolarHBondContact O-N 2.98Å; S199-D228 CarbonylContact C-O 3.43Å; S199-D228 WeakPolarHBondContact CA-O 3.47Å; G200-D228 PolarHBondContact N-O 3.41Å; D228-A230 WeakPolarHBondContact OD1-CB 3.22Å; D228-A230 PolarHBondContact OD1-N 3.49Å
229L98.7Very high98.4Very high0 Ų022.2 Ų22.20%014%0.136CC..  trans-99.418.6-177-57.8177.8000112.3I211 W227 H231 A232 A233 L238 L240 A248 T249 W250I211-L229 HydrophobicContact CD1-CD2 4.05Å; W227-L229 HydrophobicContact CB-CD2 3.79Å; W227-L229 HydrophobicContact CB-CG 4.09Å; L229-H231 PolarHBondContact O-N 3.17Å; L229-H231 VanDerWaalsContact O-N 3.1Å; L229-A232 HydrophobicContact CB-CB 4.1Å; L229-A232 HydrophobicContact CD2-CB 3.85Å; L229-A232 PolarHBondContact O-N 3.26Å; L229-A233 HydrophobicContact CB-CB 4.49Å; L229-A233 PolarHBondContact O-N 2.91Å; L229-L238 HydrophobicContact CD1-CD1 4.06Å; L229-L238 HydrophobicContact CD2-CD2 4.41Å; L229-L240 HydrophobicContact CD1-CD1 3.67Å; L229-L240 HydrophobicContact CD1-CD2 3.74Å; L229-L240 HydrophobicContact CD1-CG 4.27Å; L229-A248 HydrophobicContact CD1-CB 3.55Å; L229-A248 HydrophobicContact CG-CB 4.03Å; L229-T249 PolarHBondContact N-O 3.32Å; L229-W250 HydrophobicContact CB-CB 3.91Å; L229-W250 HydrophobicContact CB-CE3 4.13Å; L229-W250 HydrophobicContact CD1-CE3 3.92Å; L229-W250 HydrophobicContact CD1-CZ3 4.18Å; L229-W250 WeakPolarHBondContact O-CB 3.47Å
230A97.8Very high98.4Very high5 Ų519.4 Ų19.44%0.04112%0.124CC..THydrogen-bonded Turntrans-54.8-32.7-178.100000114.1L140 D228 K254L140-A230 HydrophobicContact CD1-CB 4.5Å; L140-A230 HydrophobicContact CD2-CB 3.47Å; L140-A230 VanDerWaalsContact CD2-CB 3.47Å; D228-A230 WeakPolarHBondContact OD1-CB 3.22Å; D228-A230 PolarHBondContact OD1-N 3.49Å; A230-K254 WeakPolarHBondContact O-CD 3.48Å
231H98.1Very high98.4Very high15 Ų1517.3 Ų17.37%0.06910%0.099CC..THydrogen-bonded Turntrans-104.72174.9-72.9-90.3000113.4N77 V201 Y203 L229 N235 K254 Y255N77-H231 PolarHBondContact O-CE1 3.42Å; V201-H231 HydrophobicContact CB-CB 3.9Å; V201-H231 HydrophobicContact CG1-CB 4.12Å; V201-H231 WeakPolarHBondContact O-CB 3.17Å; Y203-H231 WeakPolarHBondContact CB-NE2 3.46Å; L229-H231 PolarHBondContact O-N 3.17Å; L229-H231 VanDerWaalsContact O-N 3.1Å; H231-N235 VanDerWaalsContact O-CB 3.24Å; H231-N235 WeakPolarHBondContact O-CB 3.38Å; H231-N235 PolarHBondContact O-ND2 3.39Å; H231-K254 PolarHBondContact NE2-NZ 3.26Å; H231-Y255 HydrophobicContact CB-CE2 4.17Å; H231-Y255 AromaticContact ND1-CE2 3.89Å; H231-Y255 WeakPolarHBondContact O-CE2 3.39Å
232A98.7Very high98.5Very high0 Ų020.7 Ų20.70%012%0.116CC..THydrogen-bonded Turntrans-107.7-43.5-175.300000112.9V201 L229 G234 N235 V236 L238V201-A232 HydrophobicContact CB-CB 4.42Å; V201-A232 HydrophobicContact CG2-CB 3.93Å; L229-A232 HydrophobicContact CB-CB 4.1Å; L229-A232 HydrophobicContact CD2-CB 3.85Å; L229-A232 PolarHBondContact O-N 3.26Å; A232-G234 PolarHBondContact O-N 3.2Å; A232-N235 WeakPolarHBondContact O-CA 3.37Å; A232-N235 WeakPolarHBondContact O-CB 3.46Å; A232-N235 PolarHBondContact O-N 3.33Å; A232-V236 HydrophobicContact CB-CG2 3.95Å; A232-V236 PolarHBondContact O-N 3.05Å; A232-L238 HydrophobicContact CB-CD1 4.38Å; A232-L238 HydrophobicContact CB-CD2 4.44Å
233A98.6Very high98.6Very high3 Ų320.5 Ų20.53%0.02510%0.1CC..THydrogen-bonded Turntrans-63.2126.1179.800000111V127 L229 N235 W250 L256V127-A233 HydrophobicContact CG1-CB 4.26Å; L229-A233 HydrophobicContact CB-CB 4.49Å; L229-A233 PolarHBondContact O-N 2.91Å; A233-N235 PolarHBondContact O-N 3.43Å; A233-W250 HydrophobicContact CB-CB 3.82Å; A233-W250 VanDerWaalsContact CB-CD1 3.4Å; A233-W250 HydrophobicContact CB-CD2 3.98Å; A233-W250 HydrophobicContact CB-CG 3.46Å; A233-W250 VanDerWaalsContact CB-CG 3.46Å; A233-L256 HydrophobicContact CB-CD1 4.3Å
234G98.5Very high98.6Very high0 Ų024.9 Ų24.90%012%0.119CC..THydrogen-bonded Turntrans71.33.2-17200000114.8A232 H410A232-G234 PolarHBondContact O-N 3.2Å; G234-H410 PolarHBondContact O-CE1 3.47Å; G234-H410 PolarHBondContact O-NE2 2.96Å; G234-H410 VanDerWaalsContact O-NE2 3.16Å
235N98.7Very high98.6Very high0 Ų023.8 Ų23.80%011%0.112CC..THydrogen-bonded Turntrans-108-49178.6-1738000112.2H231 A232 A233 Y255 C372H231-N235 VanDerWaalsContact O-CB 3.24Å; H231-N235 WeakPolarHBondContact O-CB 3.38Å; H231-N235 PolarHBondContact O-ND2 3.39Å; A232-N235 WeakPolarHBondContact O-CA 3.37Å; A232-N235 WeakPolarHBondContact O-CB 3.46Å; A232-N235 PolarHBondContact O-N 3.33Å; A233-N235 PolarHBondContact O-N 3.43Å; N235-Y255 HydrophobicContact CB-CD1 4.15Å; N235-Y255 HydrophobicContact CB-CD2 3.8Å; N235-Y255 HydrophobicContact CB-CE1 4.42Å; N235-Y255 HydrophobicContact CB-CE2 4.08Å; N235-Y255 HydrophobicContact CB-CG 3.82Å; N235-C372 PolarHBondContact OD1-N 3.42Å; N235-C372 PolarHBondContact OD1-SG 3.11Å
236V98.8Very high98.6Very high0 Ų024.1 Ų24.10%011%0.114CC..SBendtrans-126.1152.9-177.6-63.40000110V201 Y208 A232 L238V201-V236 HydrophobicContact CG2-CG1 4.1Å; V201-V236 HydrophobicContact CG2-CG2 4.02Å; Y208-V236 HydrophobicContact CD1-CB 4.4Å; Y208-V236 HydrophobicContact CD1-CG1 4.28Å; Y208-V236 HydrophobicContact CD2-CB 4.44Å; Y208-V236 HydrophobicContact CD2-CG1 4.45Å; Y208-V236 HydrophobicContact CD2-CG2 3.84Å; Y208-V236 HydrophobicContact CE1-CB 4.28Å; Y208-V236 HydrophobicContact CE1-CG2 4.41Å; Y208-V236 HydrophobicContact CE2-CB 4.35Å; Y208-V236 HydrophobicContact CE2-CG2 3.63Å; Y208-V236 HydrophobicContact CG-CB 4.49Å; Y208-V236 HydrophobicContact CG-CG1 4.19Å; Y208-V236 HydrophobicContact CG-CG2 4.36Å; A232-V236 HydrophobicContact CB-CG2 3.95Å; A232-V236 PolarHBondContact O-N 3.05Å; V236-L238 HydrophobicContact CG2-CD2 4.22Å; V236-L238 HydrophobicContact CG2-CG 4.47Å; V236-L238 PolarHBondContact O-N 3.36Å
237P98.3Very high98.6Very high36 Ų3624.2 Ų24.223%0.23411%0.114CC..  trans-61.1135.7173.2-22.233.4000110.9Y208 R336Y208-P237 PolarHBondContact OH-O 2.96Å; Y208-P237 VanDerWaalsContact OH-O 3.12Å; P237-R336 HydrophobicContact CG-CB 3.7Å; P237-R336 HydrophobicContact CG-CG 3.71Å
238L98.9Very high98.6Very high10 Ų1024.2 Ų24.25%0.05211%0.114CC..  trans-129.8147.7179.7-65.4170.1000109.5V127 I211 L229 A232 V236 W243V127-L238 CarbonylContact C-O 3.55Å; V127-L238 HydrophobicContact CB-CB 4.38Å; V127-L238 HydrophobicContact CB-CD1 4.26Å; V127-L238 HydrophobicContact CG1-CD1 4.01Å; V127-L238 CarbonylContact O-C 3.51Å; V127-L238 VanDerWaalsContact O-C 3.31Å; I211-L238 HydrophobicContact CD1-CD2 3.64Å; L229-L238 HydrophobicContact CD1-CD1 4.06Å; L229-L238 HydrophobicContact CD2-CD2 4.41Å; A232-L238 HydrophobicContact CB-CD1 4.38Å; A232-L238 HydrophobicContact CB-CD2 4.44Å; V236-L238 HydrophobicContact CG2-CD2 4.22Å; V236-L238 HydrophobicContact CG2-CG 4.47Å; V236-L238 PolarHBondContact O-N 3.36Å; L238-W243 VanDerWaalsContact CA-CH2 3.45Å; L238-W243 HydrophobicContact CB-CH2 4.43Å; L238-W243 HydrophobicContact CB-CZ3 4.18Å; L238-W243 HydrophobicContact CD2-CH2 4.19Å; L238-W243 HydrophobicContact CD2-CZ3 3.73Å
239K98.8Very high98.6Very high92 Ų9222.7 Ų22.740%0.411%0.106SC..  trans-13962.7172.5-54.1-177.8171.1-1690110.8V127 G128 H241 E242 W243V127-K239 PolarHBondContact O-N 2.55Å; G128-K239 CarbonylContact O-C 3.55Å; K239-H241 PolarHBondContact O-N 2.89Å; K239-E242 HydrophobicContact CB-CB 3.9Å; K239-E242 HydrophobicContact CD-CB 4.37Å; K239-E242 WeakPolarHBondContact CD-OE1 3.47Å; K239-E242 WeakPolarHBondContact CD-OE2 3.18Å; K239-E242 IonicContact NZ-OE1 3.54Å; K239-E242 PolarHBondContact NZ-OE1 2.94Å; K239-E242 IonicContact NZ-OE2 2.65Å; K239-E242 PolarHBondContact NZ-OE2 3.42Å; K239-E242 PolarHBondContact O-N 3.27Å; K239-E242 VanDerWaalsContact O-N 3.15Å; K239-W243 HydrophobicContact CB-CD2 3.97Å; K239-W243 HydrophobicContact CB-CG 4.34Å; K239-W243 HydrophobicContact CB-CZ2 3.95Å; K239-W243 HydrophobicContact CG-CZ2 4.08Å; K239-W243 VanDerWaalsContact N-CH2 3.31Å; K239-W243 VanDerWaalsContact N-CZ3 3.28Å; K239-W243 WeakPolarHBondContact O-CB 3.35Å; K239-W243 VanDerWaalsContact O-CD2 3.28Å; K239-W243 PolarHBondContact O-N 3.29Å
240L98.9Very high98.6Very high0 Ų022.7 Ų22.70%011%0.106CC..THydrogen-bonded Turntrans-56.2-38.3-168.8-60.9-176.9000113.4V127 G128 L229 W243 K244 V245 A248 W250 F267V127-L240 HydrophobicContact CB-CD1 3.77Å; V127-L240 HydrophobicContact CB-CG 4.11Å; V127-L240 HydrophobicContact CG2-CD1 3.75Å; V127-L240 HydrophobicContact CG2-CG 4.34Å; V127-L240 WeakPolarHBondContact O-CG 3.16Å; V127-L240 PolarHBondContact O-N 3.35Å; G128-L240 PolarHBondContact O-N 2.81Å; L229-L240 HydrophobicContact CD1-CD1 3.67Å; L229-L240 HydrophobicContact CD1-CD2 3.74Å; L229-L240 HydrophobicContact CD1-CG 4.27Å; L240-W243 HydrophobicContact CD2-CE3 4.43Å; L240-K244 PolarHBondContact O-N 2.64Å; L240-V245 HydrophobicContact CD2-CB 4.43Å; L240-V245 HydrophobicContact CD2-CG2 4.04Å; L240-V245 PolarHBondContact O-N 2.98Å; L240-A248 HydrophobicContact CD1-CB 4.07Å; L240-W250 HydrophobicContact CD1-CH2 4.43Å; L240-W250 HydrophobicContact CD1-CZ3 4.07Å; L240-F267 HydrophobicContact CB-CD1 4.16Å; L240-F267 HydrophobicContact CB-CD2 4.26Å; L240-F267 HydrophobicContact CB-CE1 3.83Å; L240-F267 HydrophobicContact CB-CE2 3.91Å; L240-F267 HydrophobicContact CB-CG 4.37Å; L240-F267 HydrophobicContact CB-CZ 3.7Å; L240-F267 HydrophobicContact CD1-CB 4.03Å; L240-F267 HydrophobicContact CD1-CD1 3.95Å; L240-F267 HydrophobicContact CD1-CD2 4.12Å; L240-F267 HydrophobicContact CD1-CE1 4.46Å; L240-F267 HydrophobicContact CD1-CG 3.76Å
241H98.8Very high98.6Very high41 Ų4122.6 Ų22.619%0.1911%0.105CC..THydrogen-bonded Turntrans-67.5-53176.5-177.372.9000111.8G128 R130 E133 K239 W243 K244 H269 E270G128-H241 WeakPolarHBondContact O-CB 3.43Å; G128-H241 PolarHBondContact O-N 2.84Å; G128-H241 VanDerWaalsContact O-N 3.12Å; R130-H241 VanDerWaalsContact CZ-NE2 3.31Å; R130-H241 PolarHBondContact NE-CE1 3.31Å; R130-H241 PolarHBondContact NE-NE2 3.38Å; R130-H241 VanDerWaalsContact NE-NE2 3.14Å; R130-H241 PolarHBondContact NH2-CE1 2.98Å; R130-H241 PolarHBondContact NH2-NE2 3.19Å; E133-H241 VanDerWaalsContact CD-ND1 3.32Å; E133-H241 IonicContact OE1-CE1 2.82Å; E133-H241 IonicContact OE1-CG 4Å; E133-H241 IonicContact OE1-ND1 2.75Å; E133-H241 PolarHBondContact OE1-ND1 3.45Å; E133-H241 IonicContact OE2-CG 3.81Å; E133-H241 IonicContact OE2-ND1 2.84Å; E133-H241 PolarHBondContact OE2-ND1 2.84Å; E133-H241 VanDerWaalsContact OE2-ND1 3.1Å; K239-H241 PolarHBondContact O-N 2.89Å; H241-W243 PolarHBondContact O-N 3.28Å; H241-K244 PolarHBondContact O-N 2.93Å; H241-H269 AromaticContact CE1-NE2 3.88Å; H241-H269 AromaticContact ND1-CD2 3.96Å; H241-H269 AromaticContact ND1-NE2 3.64Å; H241-H269 PolarHBondContact O-NE2 2.93Å; H241-E270 IonicContact CE1-OE1 2.69Å; H241-E270 PolarHBondContact CE1-OE1 2.95Å
242E98.7Very high98.6Very high124 Ų12421.9 Ų21.958%0.57910%0.102SC*.THydrogen-bonded Turntrans-57.6-37.7178.8-171.9-176.3112.100111.8K239 K244K239-E242 HydrophobicContact CB-CB 3.9Å; K239-E242 HydrophobicContact CD-CB 4.37Å; K239-E242 WeakPolarHBondContact CD-OE1 3.47Å; K239-E242 WeakPolarHBondContact CD-OE2 3.18Å; K239-E242 IonicContact NZ-OE1 3.54Å; K239-E242 PolarHBondContact NZ-OE1 2.94Å; K239-E242 IonicContact NZ-OE2 2.65Å; K239-E242 PolarHBondContact NZ-OE2 3.42Å; K239-E242 PolarHBondContact O-N 3.27Å; K239-E242 VanDerWaalsContact O-N 3.15Å; E242-K244 VanDerWaalsContact C-N 3.26Å; E242-K244 PolarHBondContact O-N 3.39Å
243W98.8Very high98.5Very high43 Ų4325 Ų2516%0.16311%0.114CC..THydrogen-bonded Turntrans-80.6-3.5-179.5-58.8-20000114.1Y208 I211 P212 L238 K239 L240 H241 V245Y208-W243 WeakPolarHBondContact OH-CH2 3.33Å; I211-W243 HydrophobicContact CB-CE3 4.05Å; I211-W243 HydrophobicContact CB-CZ3 4.01Å; I211-W243 HydrophobicContact CD1-CZ3 4.08Å; I211-W243 HydrophobicContact CG2-CD2 4.45Å; I211-W243 HydrophobicContact CG2-CE3 3.56Å; I211-W243 HydrophobicContact CG2-CZ3 3.92Å; P212-W243 HydrophobicContact CB-CB 4.22Å; P212-W243 HydrophobicContact CB-CD2 4.25Å; P212-W243 HydrophobicContact CB-CG 3.8Å; P212-W243 HydrophobicContact CG-CD2 4.36Å; P212-W243 HydrophobicContact CG-CG 4.4Å; L238-W243 VanDerWaalsContact CA-CH2 3.45Å; L238-W243 HydrophobicContact CB-CH2 4.43Å; L238-W243 HydrophobicContact CB-CZ3 4.18Å; L238-W243 HydrophobicContact CD2-CH2 4.19Å; L238-W243 HydrophobicContact CD2-CZ3 3.73Å; K239-W243 HydrophobicContact CB-CD2 3.97Å; K239-W243 HydrophobicContact CB-CG 4.34Å; K239-W243 HydrophobicContact CB-CZ2 3.95Å; K239-W243 HydrophobicContact CG-CZ2 4.08Å; K239-W243 VanDerWaalsContact N-CH2 3.31Å; K239-W243 VanDerWaalsContact N-CZ3 3.28Å; K239-W243 WeakPolarHBondContact O-CB 3.35Å; K239-W243 VanDerWaalsContact O-CD2 3.28Å; K239-W243 PolarHBondContact O-N 3.29Å; L240-W243 HydrophobicContact CD2-CE3 4.43Å; H241-W243 PolarHBondContact O-N 3.28Å; W243-V245 HydrophobicContact CB-CG2 4.31Å; W243-V245 PolarHBondContact O-N 2.55Å
244K98.5Very high98.5Very high99 Ų9925.7 Ų25.743%0.4312%0.117SC..THydrogen-bonded Turntrans5338.1179.9-56.1-171171.3-134.90113.5K219 L240 H241 E242 E271K219-K244 WeakPolarHBondContact CD-O 3.31Å; K219-K244 PolarHBondContact NZ-O 2.89Å; L240-K244 PolarHBondContact O-N 2.64Å; H241-K244 PolarHBondContact O-N 2.93Å; E242-K244 VanDerWaalsContact C-N 3.26Å; E242-K244 PolarHBondContact O-N 3.39Å; K244-E271 IonicContact NZ-OE1 3.17Å; K244-E271 PolarHBondContact NZ-OE1 2.79Å; K244-E271 IonicContact NZ-OE2 2.83Å
245V98.8Very high98.5Very high0 Ų025.8 Ų25.80%012%0.117CC..  trans-57.7136.7170.8165.20000108.5I211 T215 L240 W243 F247 A248 F267 H269I211-V245 HydrophobicContact CG2-CG2 3.84Å; T215-V245 HydrophobicContact CG2-CG2 4.3Å; L240-V245 HydrophobicContact CD2-CB 4.43Å; L240-V245 HydrophobicContact CD2-CG2 4.04Å; L240-V245 PolarHBondContact O-N 2.98Å; W243-V245 HydrophobicContact CB-CG2 4.31Å; W243-V245 PolarHBondContact O-N 2.55Å; V245-F247 WeakPolarHBondContact CG1-O 3.36Å; V245-A248 HydrophobicContact CG1-CB 4.28Å; V245-F267 HydrophobicContact CB-CE1 4.03Å; V245-F267 HydrophobicContact CG1-CD1 4.2Å; V245-F267 HydrophobicContact CG1-CE1 4.01Å; V245-F267 WeakPolarHBondContact O-CE1 3.5Å; V245-H269 WeakPolarHBondContact O-CB 3.35Å
246D98.8Very high98.5Very high7 Ų725.8 Ų25.84%0.03712%0.117CC..SBendtrans-73.9-46.5-178.1-63.8-46.3000111.3F151 K219 V224 V225 H269 V272F151-D246 HydrophobicContact CE1-CB 4.48Å; K219-D246 VanDerWaalsContact CE-OD1 3.26Å; K219-D246 WeakPolarHBondContact CE-OD1 3.28Å; K219-D246 IonicContact NZ-OD1 3.57Å; K219-D246 PolarHBondContact NZ-OD1 2.9Å; V224-D246 WeakPolarHBondContact CA-OD2 3.43Å; V224-D246 HydrophobicContact CG1-CB 3.97Å; V225-D246 PolarHBondContact N-OD2 3.36Å; V225-D246 WeakPolarHBondContact O-CB 3.36Å; V225-D246 PolarHBondContact O-N 3.45Å; V225-D246 VanDerWaalsContact O-N 3.16Å; D246-H269 PolarHBondContact O-N 2.89Å; D246-H269 VanDerWaalsContact O-N 3.09Å; D246-V272 HydrophobicContact CB-CG1 4.46Å; D246-V272 HydrophobicContact CB-CG2 4.21Å; D246-V272 VanDerWaalsContact O-CG2 3.26Å; D246-V272 WeakPolarHBondContact O-CG2 3.41Å; D246-V272 WeakPolarHBondContact OD1-CG1 3.46Å
247F98.8Very high98.4Very high1 Ų125.8 Ų25.80%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-151.4160.3172.870.7-94.5000111.7L147 F151 L195 L197 V224 G226 W227 V245 F267 V268L147-F247 HydrophobicContact CB-CD2 3.84Å; L147-F247 HydrophobicContact CB-CE2 3.9Å; L147-F247 HydrophobicContact CB-CG 4.44Å; L147-F247 HydrophobicContact CD1-CD2 3.79Å; L147-F247 HydrophobicContact CD1-CE2 4.37Å; L147-F247 HydrophobicContact CD2-CB 4.21Å; L147-F247 HydrophobicContact CD2-CD2 4.39Å; L147-F247 HydrophobicContact CD2-CG 4.48Å; L147-F247 HydrophobicContact CG-CD2 4.22Å; F151-F247 HydrophobicContact CB-CD1 3.83Å; F151-F247 HydrophobicContact CB-CE1 3.49Å; F151-F247 VanDerWaalsContact CB-CE1 3.49Å; F151-F247 HydrophobicContact CB-CZ 4.3Å; F151-F247 AromaticContact CD1-CD1 3.6Å; F151-F247 HydrophobicContact CD1-CD1 3.6Å; F151-F247 HydrophobicContact CD1-CE1 4.11Å; F151-F247 HydrophobicContact CD2-CB 4.17Å; F151-F247 AromaticContact CD2-CD1 3.55Å; F151-F247 HydrophobicContact CD2-CD1 3.55Å; F151-F247 HydrophobicContact CD2-CE1 4.04Å; F151-F247 AromaticContact CD2-CG 3.92Å; F151-F247 HydrophobicContact CD2-CG 3.92Å; F151-F247 HydrophobicContact CE1-CB 4.4Å; F151-F247 AromaticContact CE1-CD1 3.99Å; F151-F247 HydrophobicContact CE1-CD1 3.99Å; F151-F247 HydrophobicContact CE2-CB 3.77Å; F151-F247 AromaticContact CE2-CD1 3.97Å; F151-F247 HydrophobicContact CE2-CD1 3.97Å; F151-F247 HydrophobicContact CE2-CG 4.05Å; F151-F247 AromaticContact CG-CD1 3.35Å; F151-F247 HydrophobicContact CG-CD1 3.35Å; F151-F247 AromaticContact CG-CE1 3.61Å; F151-F247 HydrophobicContact CG-CE1 3.61Å; F151-F247 HydrophobicContact CG-CG 4.2Å; F151-F247 HydrophobicContact CZ-CB 3.9Å; F151-F247 HydrophobicContact CZ-CD1 4.17Å; F151-F247 HydrophobicContact CZ-CG 4.41Å; L195-F247 HydrophobicContact CD1-CE1 3.62Å; L195-F247 HydrophobicContact CD1-CZ 3.73Å; L195-F247 HydrophobicContact CD2-CZ 4.43Å; L197-F247 HydrophobicContact CD1-CE2 4.09Å; L197-F247 HydrophobicContact CD1-CZ 4.26Å; V224-F247 HydrophobicContact CG1-CD1 4.05Å; V224-F247 HydrophobicContact CG1-CE1 3.81Å; G226-F247 WeakPolarHBondContact CA-O 3.4Å; W227-F247 PolarHBondContact N-O 3.01Å; V245-F247 WeakPolarHBondContact CG1-O 3.36Å; F247-F267 CarbonylContact C-O 3.57Å; F247-F267 WeakPolarHBondContact CA-O 3.46Å; F247-F267 WeakPolarHBondContact CB-O 3.5Å; F247-V268 HydrophobicContact CB-CG2 4.38Å
248A98.9Very high98.4Very high0 Ų024.1 Ų24.10%011%0.106CC..EExtended strand (participates in β ladder)trans-151.7164.1170.100000111.4W227 L229 L240 V245 W250 V266 F267W227-A248 HydrophobicContact CB-CB 4.17Å; W227-A248 CarbonylContact O-C 3.53Å; W227-A248 WeakPolarHBondContact O-CA 3.29Å; W227-A248 WeakPolarHBondContact O-CB 3.27Å; L229-A248 HydrophobicContact CD1-CB 3.55Å; L229-A248 HydrophobicContact CG-CB 4.03Å; L240-A248 HydrophobicContact CD1-CB 4.07Å; V245-A248 HydrophobicContact CG1-CB 4.28Å; A248-W250 HydrophobicContact CB-CZ3 4.36Å; A248-V266 WeakPolarHBondContact O-CA 3.48Å; A248-F267 HydrophobicContact CB-CB 4.18Å; A248-F267 HydrophobicContact CB-CD1 4.21Å; A248-F267 PolarHBondContact N-O 2.83Å; A248-F267 PolarHBondContact O-N 3.03Å
249T98.8Very high98.2Very high0 Ų025 Ų250%012%0.117CC..EExtended strand (participates in β ladder)trans-150.6150.7170.4-176.60000111.7L140 N143 L144 L147 W227 L229 S264 V265L140-T249 HydrophobicContact CD1-CG2 3.86Å; N143-T249 HydrophobicContact CB-CG2 4.49Å; N143-T249 WeakPolarHBondContact CB-OG1 3.3Å; L144-T249 HydrophobicContact CB-CG2 4.44Å; L144-T249 HydrophobicContact CD2-CG2 3.37Å; L144-T249 HydrophobicContact CG-CG2 3.56Å; L147-T249 HydrophobicContact CD1-CG2 3.92Å; W227-T249 PolarHBondContact O-N 2.89Å; L229-T249 PolarHBondContact N-O 3.32Å; T249-S264 PolarHBondContact OG1-OG 3.15Å; T249-V265 WeakPolarHBondContact CA-O 3.36Å; T249-V265 VanDerWaalsContact CB-O 3.31Å; T249-V265 WeakPolarHBondContact CB-O 3.47Å; T249-V265 PolarHBondContact OG1-O 2.85Å
250W98.5Very high97.8Very high0 Ų025.3 Ų25.30%013%0.13CC..EExtended strand (participates in β ladder)trans-144.3150.6177.352.4102.1000111.7Q123 V127 I134 L229 A233 L240 A248 S264 V265 F267Q123-W250 HydrophobicContact CB-CZ2 4.47Å; V127-W250 HydrophobicContact CB-CH2 4.22Å; V127-W250 HydrophobicContact CB-CZ2 4.37Å; V127-W250 HydrophobicContact CG1-CD2 4.4Å; V127-W250 HydrophobicContact CG1-CH2 3.75Å; V127-W250 HydrophobicContact CG1-CZ2 3.52Å; V127-W250 HydrophobicContact CG1-CZ3 4.25Å; V127-W250 HydrophobicContact CG2-CH2 3.68Å; V127-W250 HydrophobicContact CG2-CZ2 4Å; V127-W250 HydrophobicContact CG2-CZ3 4.49Å; I134-W250 HydrophobicContact CD1-CH2 3.63Å; I134-W250 HydrophobicContact CD1-CZ2 4.22Å; L229-W250 HydrophobicContact CB-CB 3.91Å; L229-W250 HydrophobicContact CB-CE3 4.13Å; L229-W250 HydrophobicContact CD1-CE3 3.92Å; L229-W250 HydrophobicContact CD1-CZ3 4.18Å; L229-W250 WeakPolarHBondContact O-CB 3.47Å; A233-W250 HydrophobicContact CB-CB 3.82Å; A233-W250 VanDerWaalsContact CB-CD1 3.4Å; A233-W250 HydrophobicContact CB-CD2 3.98Å; A233-W250 HydrophobicContact CB-CG 3.46Å; A233-W250 VanDerWaalsContact CB-CG 3.46Å; L240-W250 HydrophobicContact CD1-CH2 4.43Å; L240-W250 HydrophobicContact CD1-CZ3 4.07Å; A248-W250 HydrophobicContact CB-CZ3 4.36Å; W250-S264 VanDerWaalsContact O-CA 3.27Å; W250-S264 WeakPolarHBondContact O-CA 3.48Å; W250-S264 VanDerWaalsContact O-CB 3.27Å; W250-S264 WeakPolarHBondContact O-CB 3.42Å; W250-S264 PolarHBondContact O-OG 3.33Å; W250-V265 HydrophobicContact CD2-CB 4.05Å; W250-V265 VanDerWaalsContact CE2-CB 3.46Å; W250-V265 HydrophobicContact CH2-CB 4.14Å; W250-V265 HydrophobicContact CH2-CG1 3.77Å; W250-V265 HydrophobicContact CZ2-CB 3.54Å; W250-V265 HydrophobicContact CZ2-CG1 3.36Å; W250-V265 HydrophobicContact CZ2-CG2 4.18Å; W250-V265 PolarHBondContact N-O 3.29Å; W250-V265 PolarHBondContact O-N 3.03Å; W250-F267 HydrophobicContact CH2-CB 4.05Å; W250-F267 HydrophobicContact CZ3-CB 3.81Å
251C97.4Very high97.3Very high4 Ų428.1 Ų28.13%0.02716%0.159CC..EExtended strand (participates in β ladder)trans-76.3156.1162.157.70000110.5L140 Y253L140-C251 HydrophobicContact CB-CB 3.92Å; L140-C251 HydrophobicContact CD2-CB 4.1Å; C251-Y253 HydrophobicContact CB-CD1 3.67Å; C251-Y253 HydrophobicContact CB-CE1 3.41Å; C251-Y253 VanDerWaalsContact CB-CE1 3.41Å; C251-Y253 HydrophobicContact CB-CG 4.47Å
252S97.5Very high97Very high0 Ų026.2 Ų26.20%015%0.151CC..SBendtrans-104.4-5.3173.761.10000115K254 L256 N257 S258 L263 M320S252-K254 VanDerWaalsContact C-N 3.31Å; S252-K254 PolarHBondContact O-N 3.12Å; S252-L256 CarbonylContact O-C 3.54Å; S252-L256 WeakPolarHBondContact O-CA 3.39Å; S252-L256 VanDerWaalsContact O-CB 3.22Å; S252-L256 WeakPolarHBondContact O-CB 3.44Å; S252-N257 PolarHBondContact O-N 3.47Å; S252-S258 VanDerWaalsContact CB-OG 3.24Å; S252-S258 WeakPolarHBondContact CB-OG 3.42Å; S252-S258 WeakPolarHBondContact O-CB 3.27Å; S252-S258 PolarHBondContact O-N 3.24Å; S252-S258 PolarHBondContact O-OG 2.77Å; S252-S258 WeakPolarHBondContact OG-CB 3.12Å; S252-S258 PolarHBondContact OG-OG 3.35Å; S252-L263 WeakPolarHBondContact CB-O 3.29Å; S252-L263 PolarHBondContact N-O 3.3Å; S252-L263 PolarHBondContact OG-O 2.88Å; S252-M320 VanDerWaalsContact CB-CE 3.45Å; S252-M320 WeakPolarHBondContact OG-CE 3.42Å
253Y97.6Very high96.9Very high64 Ų6420.4 Ų20.425%0.25112%0.124SC..SBendtrans-79.2-10.5-173.263.3-105.4000114.7S78 L79 G80 C251 S258 G259S78-Y253 WeakPolarHBondContact O-CD2 3.48Å; S78-Y253 WeakPolarHBondContact O-CE2 3.39Å; L79-Y253 HydrophobicContact CD1-CD2 4.49Å; L79-Y253 WeakPolarHBondContact CD1-O 3.41Å; G80-Y253 PolarHBondContact N-O 3.21Å; C251-Y253 HydrophobicContact CB-CD1 3.67Å; C251-Y253 HydrophobicContact CB-CE1 3.41Å; C251-Y253 VanDerWaalsContact CB-CE1 3.41Å; C251-Y253 HydrophobicContact CB-CG 4.47Å; Y253-S258 WeakPolarHBondContact CA-OG 3.24Å; Y253-S258 PolarHBondContact N-OG 2.79Å; Y253-G259 WeakPolarHBondContact CB-O 3.47Å
254K97.5Very high96.9Very high18 Ų1818.4 Ų18.48%0.07812%0.116CC..SBendtrans-89-107.1-180-64.7173.5-175.4159.80110.5G76 N77 G80 A230 H231 S252 L256 N257G76-K254 CarbonylContact O-C 3.52Å; G76-K254 WeakPolarHBondContact O-CA 3.49Å; G76-K254 WeakPolarHBondContact O-CB 3.43Å; N77-K254 VanDerWaalsContact O-CD 3.28Å; N77-K254 WeakPolarHBondContact O-CD 3.39Å; N77-K254 WeakPolarHBondContact O-CE 3.32Å; G80-K254 VanDerWaalsContact CA-O 3.3Å; G80-K254 WeakPolarHBondContact CA-O 3.29Å; G80-K254 PolarHBondContact N-O 3.44Å; A230-K254 WeakPolarHBondContact O-CD 3.48Å; H231-K254 PolarHBondContact NE2-NZ 3.26Å; S252-K254 VanDerWaalsContact C-N 3.31Å; S252-K254 PolarHBondContact O-N 3.12Å; K254-L256 PolarHBondContact O-N 3.26Å; K254-N257 PolarHBondContact O-N 3.29Å
255Y98.3Very high96.9Very high2 Ų213.7 Ų13.71%0.00810%0.095CC..THydrogen-bonded Turntrans-69-12.7-179.1-57.1-75.3000114.3N77 H231 N235 N257 F327 C372 T407 V409N77-Y255 WeakPolarHBondContact CB-OH 3.41Å; H231-Y255 HydrophobicContact CB-CE2 4.17Å; H231-Y255 AromaticContact ND1-CE2 3.89Å; H231-Y255 WeakPolarHBondContact O-CE2 3.39Å; N235-Y255 HydrophobicContact CB-CD1 4.15Å; N235-Y255 HydrophobicContact CB-CD2 3.8Å; N235-Y255 HydrophobicContact CB-CE1 4.42Å; N235-Y255 HydrophobicContact CB-CE2 4.08Å; N235-Y255 HydrophobicContact CB-CG 3.82Å; Y255-N257 PolarHBondContact O-OD1 2.96Å; Y255-F327 WeakPolarHBondContact O-CZ 3.36Å; Y255-C372 WeakPolarHBondContact CE1-SG 3.3Å; Y255-T407 HydrophobicContact CE1-CG2 3.63Å; Y255-T407 WeakPolarHBondContact OH-CG2 3.31Å; Y255-V409 HydrophobicContact CD1-CG1 4.39Å; Y255-V409 HydrophobicContact CD1-CG2 3.97Å; Y255-V409 HydrophobicContact CE1-CG2 3.93Å
256L98.5Very high96.9Very high1 Ų113.7 Ų13.71%0.00510%0.095CC..THydrogen-bonded Turntrans-97.911.1170.8-55.8175.6000112.6I126 A233 S252 K254 S258 S323 F327I126-L256 HydrophobicContact CD1-CD2 3.79Å; I126-L256 HydrophobicContact CG2-CD2 4.17Å; A233-L256 HydrophobicContact CB-CD1 4.3Å; S252-L256 CarbonylContact O-C 3.54Å; S252-L256 WeakPolarHBondContact O-CA 3.39Å; S252-L256 VanDerWaalsContact O-CB 3.22Å; S252-L256 WeakPolarHBondContact O-CB 3.44Å; K254-L256 PolarHBondContact O-N 3.26Å; L256-S258 PolarHBondContact O-N 3.37Å; L256-S323 WeakPolarHBondContact O-CB 3.38Å; L256-S323 PolarHBondContact O-OG 3.48Å; L256-F327 HydrophobicContact CD2-CD2 4.48Å; L256-F327 HydrophobicContact CD2-CE1 4.25Å; L256-F327 HydrophobicContact CD2-CE2 3.73Å; L256-F327 HydrophobicContact CD2-CZ 3.59Å
257N98.5Very high96.9Very high0 Ų013.3 Ų13.30%09%0.094CC..  trans51.328.4163.4-64.597.9000116.9F49 G80 L81 P83 S252 K254 Y255 G259 L411 Y412F49-N257 HydrophobicContact CE1-CB 3.9Å; F49-N257 VanDerWaalsContact CE1-CG 3.49Å; F49-N257 WeakPolarHBondContact CE1-ND2 3.41Å; G80-N257 WeakPolarHBondContact CA-ND2 3.33Å; L81-N257 PolarHBondContact N-ND2 2.86Å; L81-N257 WeakPolarHBondContact O-CB 2.99Å; L81-N257 PolarHBondContact O-ND2 3.47Å; P83-N257 WeakPolarHBondContact CD-O 3.47Å; P83-N257 HydrophobicContact CG-CB 4.04Å; S252-N257 PolarHBondContact O-N 3.47Å; K254-N257 PolarHBondContact O-N 3.29Å; Y255-N257 PolarHBondContact O-OD1 2.96Å; N257-G259 PolarHBondContact O-N 3.32Å; N257-L411 WeakPolarHBondContact OD1-CD1 3.1Å; N257-Y412 WeakPolarHBondContact ND2-CE1 3.44Å
258S97.5Very high96.9Very high1 Ų113.3 Ų13.31%0.0079%0.093CC..  trans-92.116.4-173.876.70000115.2S252 Y253 L256 P319S252-S258 VanDerWaalsContact CB-OG 3.24Å; S252-S258 WeakPolarHBondContact CB-OG 3.42Å; S252-S258 WeakPolarHBondContact O-CB 3.27Å; S252-S258 PolarHBondContact O-N 3.24Å; S252-S258 PolarHBondContact O-OG 2.77Å; S252-S258 WeakPolarHBondContact OG-CB 3.12Å; S252-S258 PolarHBondContact OG-OG 3.35Å; Y253-S258 WeakPolarHBondContact CA-OG 3.24Å; Y253-S258 PolarHBondContact N-OG 2.79Å; L256-S258 PolarHBondContact O-N 3.37Å; S258-P319 VanDerWaalsContact C-CB 3.5Å; S258-P319 WeakPolarHBondContact O-CB 3.43Å
259G94.4Very high96.9Very high27 Ų2713.4 Ų13.428%0.2789%0.094SC..  trans7516317600000115Y253 N257 G262Y253-G259 WeakPolarHBondContact CB-O 3.47Å; N257-G259 PolarHBondContact O-N 3.32Å; G259-G262 PolarHBondContact O-N 3.29Å
260C91.2Very high96.8Very high99 Ų9916.6 Ų16.667%0.66911%0.109SC*.THydrogen-bonded Turntrans-60.2141.3-172.559.50000113.1L79 G262L79-C260 HydrophobicContact CD1-CB 4.42Å; C260-G262 PolarHBondContact O-N 2.78Å; C260-G262 VanDerWaalsContact O-N 3.16Å
261G88.5Confident96.7Very high59 Ų5921.6 Ų21.661%0.60813%0.132SC*.THydrogen-bonded Turntrans64.913.4-179.100000114.2
262G92.1Very high96.7Very high2 Ų222.2 Ų22.22%0.02114%0.136CC..  trans-59.9162.6-176.200000114.2G259 C260G259-G262 PolarHBondContact O-N 3.29Å; C260-G262 PolarHBondContact O-N 2.78Å; C260-G262 VanDerWaalsContact O-N 3.16Å
263L97Very high96.5Very high2 Ų223.4 Ų23.41%0.0114%0.142CC..  trans-55.5149.2177.4-81170.2000112.5V136 N138 S252 P313 L316 A317 M320V136-L263 HydrophobicContact CG1-CB 4.01Å; V136-L263 HydrophobicContact CG1-CD1 4.03Å; V136-L263 HydrophobicContact CG1-CG 4.48Å; N138-L263 CarbonylContact O-C 3.41Å; N138-L263 WeakPolarHBondContact O-CA 3.47Å; S252-L263 WeakPolarHBondContact CB-O 3.29Å; S252-L263 PolarHBondContact N-O 3.3Å; S252-L263 PolarHBondContact OG-O 2.88Å; L263-P313 HydrophobicContact CD1-CG 4.13Å; L263-P313 HydrophobicContact CD2-CG 3.44Å; L263-P313 VanDerWaalsContact CD2-CG 3.44Å; L263-P313 HydrophobicContact CG-CG 3.88Å; L263-L316 HydrophobicContact CD1-CB 4.29Å; L263-L316 HydrophobicContact CG-CB 4.07Å; L263-A317 HydrophobicContact CD1-CB 4.45Å; L263-M320 HydrophobicContact CB-CE 3.6Å; L263-M320 WeakPolarHBondContact O-CE 3.17Å
264S97.8Very high96.3Very high0 Ų027.6 Ų27.60%017%0.169CC..EExtended strand (participates in β ladder)trans-107.3170.8170.7174.90000110.1M137 N138 L140 N143 T249 W250M137-S264 PolarHBondContact N-O 3.43Å; M137-S264 CarbonylContact O-C 3.51Å; N138-S264 PolarHBondContact O-N 3.16Å; L140-S264 WeakPolarHBondContact CA-OG 3.45Å; L140-S264 VanDerWaalsContact N-CB 3.28Å; N143-S264 WeakPolarHBondContact ND2-CB 3.47Å; N143-S264 PolarHBondContact ND2-OG 3.27Å; T249-S264 PolarHBondContact OG1-OG 3.15Å; W250-S264 VanDerWaalsContact O-CA 3.27Å; W250-S264 WeakPolarHBondContact O-CA 3.48Å; W250-S264 VanDerWaalsContact O-CB 3.27Å; W250-S264 WeakPolarHBondContact O-CB 3.42Å; W250-S264 PolarHBondContact O-OG 3.33Å
265V98.7Very high96.2Very high0 Ų029.8 Ų29.80%019%0.186CC..EExtended strand (participates in β ladder)trans-128.2143.6179.3-169.10000108.2Q123 I134 S135 V136 T249 W250 M320Q123-V265 HydrophobicContact CB-CG1 4.31Å; Q123-V265 HydrophobicContact CG-CG1 4.46Å; Q123-V265 HydrophobicContact CG-CG2 3.9Å; I134-V265 HydrophobicContact CD1-CG1 4.43Å; I134-V265 HydrophobicContact CG2-CG1 3.68Å; S135-V265 CarbonylContact O-C 3.51Å; S135-V265 WeakPolarHBondContact O-CA 3.5Å; S135-V265 WeakPolarHBondContact O-CG1 3.48Å; V136-V265 HydrophobicContact CG1-CG2 4.49Å; V136-V265 HydrophobicContact CG2-CG1 4.27Å; V136-V265 HydrophobicContact CG2-CG2 4.09Å; T249-V265 WeakPolarHBondContact CA-O 3.36Å; T249-V265 VanDerWaalsContact CB-O 3.31Å; T249-V265 WeakPolarHBondContact CB-O 3.47Å; T249-V265 PolarHBondContact OG1-O 2.85Å; W250-V265 HydrophobicContact CD2-CB 4.05Å; W250-V265 VanDerWaalsContact CE2-CB 3.46Å; W250-V265 HydrophobicContact CH2-CB 4.14Å; W250-V265 HydrophobicContact CH2-CG1 3.77Å; W250-V265 HydrophobicContact CZ2-CB 3.54Å; W250-V265 HydrophobicContact CZ2-CG1 3.36Å; W250-V265 HydrophobicContact CZ2-CG2 4.18Å; W250-V265 PolarHBondContact N-O 3.29Å; W250-V265 PolarHBondContact O-N 3.03Å; V265-M320 HydrophobicContact CG2-CE 4.26Å
266V98.7Very high96.1Very high0 Ų031 Ų310%019%0.191CC..EExtended strand (participates in β ladder)trans-112.2143.2168.9-62.50000109.5I134 S135 M137 N143 L147 A248I134-V266 WeakPolarHBondContact CA-O 3.29Å; S135-V266 PolarHBondContact N-O 2.79Å; S135-V266 WeakPolarHBondContact O-CG2 3.49Å; S135-V266 PolarHBondContact O-N 2.79Å; M137-V266 HydrophobicContact CG-CG1 4.33Å; M137-V266 HydrophobicContact CG-CG2 4.04Å; M137-V266 HydrophobicContact SD-CG1 4.35Å; M137-V266 HydrophobicContact SD-CG2 3.68Å; N143-V266 HydrophobicContact CB-CG1 3.58Å; N143-V266 VanDerWaalsContact CG-CG1 3.46Å; L147-V266 HydrophobicContact CD1-CB 4.18Å; L147-V266 HydrophobicContact CD1-CG1 3.83Å; L147-V266 HydrophobicContact CD2-CB 4.41Å; L147-V266 HydrophobicContact CD2-CG1 4.48Å; L147-V266 HydrophobicContact CG-CG1 4.2Å; A248-V266 WeakPolarHBondContact O-CA 3.48Å
267F98.8Very high96Very high0 Ų033.9 Ų33.90%021%0.21CC..EExtended strand (participates in β ladder)trans-117.5132.5169.7168.3-95.4000108.3A129 E133 I134 L240 V245 F247 A248 W250 H269A129-F267 HydrophobicContact CB-CD2 3.56Å; A129-F267 HydrophobicContact CB-CE2 3.5Å; A129-F267 VanDerWaalsContact CB-CE2 3.5Å; E133-F267 HydrophobicContact CB-CD2 3.74Å; E133-F267 HydrophobicContact CB-CE2 3.52Å; E133-F267 HydrophobicContact CB-CZ 4.47Å; E133-F267 HydrophobicContact CG-CE2 4.17Å; E133-F267 CarbonylContact O-C 3.58Å; E133-F267 VanDerWaalsContact O-CA 3.22Å; E133-F267 WeakPolarHBondContact O-CA 3.37Å; E133-F267 WeakPolarHBondContact OE2-CE2 3.38Å; I134-F267 HydrophobicContact CD1-CB 4.03Å; I134-F267 HydrophobicContact CD1-CD2 3.92Å; I134-F267 HydrophobicContact CD1-CG 4.48Å; L240-F267 HydrophobicContact CB-CD1 4.16Å; L240-F267 HydrophobicContact CB-CD2 4.26Å; L240-F267 HydrophobicContact CB-CE1 3.83Å; L240-F267 HydrophobicContact CB-CE2 3.91Å; L240-F267 HydrophobicContact CB-CG 4.37Å; L240-F267 HydrophobicContact CB-CZ 3.7Å; L240-F267 HydrophobicContact CD1-CB 4.03Å; L240-F267 HydrophobicContact CD1-CD1 3.95Å; L240-F267 HydrophobicContact CD1-CD2 4.12Å; L240-F267 HydrophobicContact CD1-CE1 4.46Å; L240-F267 HydrophobicContact CD1-CG 3.76Å; V245-F267 HydrophobicContact CB-CE1 4.03Å; V245-F267 HydrophobicContact CG1-CD1 4.2Å; V245-F267 HydrophobicContact CG1-CE1 4.01Å; V245-F267 WeakPolarHBondContact O-CE1 3.5Å; F247-F267 CarbonylContact C-O 3.57Å; F247-F267 WeakPolarHBondContact CA-O 3.46Å; F247-F267 WeakPolarHBondContact CB-O 3.5Å; A248-F267 HydrophobicContact CB-CB 4.18Å; A248-F267 HydrophobicContact CB-CD1 4.21Å; A248-F267 PolarHBondContact N-O 2.83Å; A248-F267 PolarHBondContact O-N 3.03Å; W250-F267 HydrophobicContact CH2-CB 4.05Å; W250-F267 HydrophobicContact CZ3-CB 3.81Å; F267-H269 HydrophobicContact CE1-CB 3.91Å; F267-H269 HydrophobicContact CZ-CB 3.82Å
268V98.8Very high95.9Very high0 Ų034.2 Ų34.20%021%0.213CC..EExtended strand (participates in β ladder)trans-135.7120.6170.8173.80000107.6E133 L147 F151 F247 V272 M273 Y307E133-V268 WeakPolarHBondContact CA-O 3.49Å; E133-V268 VanDerWaalsContact CB-O 3.32Å; E133-V268 WeakPolarHBondContact CB-O 3.36Å; E133-V268 PolarHBondContact O-N 3.44Å; L147-V268 HydrophobicContact CD2-CG2 3.8Å; F151-V268 HydrophobicContact CE2-CG1 4.46Å; F151-V268 HydrophobicContact CE2-CG2 4.02Å; F151-V268 HydrophobicContact CZ-CG1 3.82Å; F151-V268 HydrophobicContact CZ-CG2 4.17Å; F247-V268 HydrophobicContact CB-CG2 4.38Å; V268-V272 HydrophobicContact CG1-CG2 4.24Å; V268-M273 HydrophobicContact CB-CE 4.28Å; V268-M273 HydrophobicContact CG1-CB 4.02Å; V268-M273 HydrophobicContact CG1-CE 4.19Å; V268-M273 HydrophobicContact CG1-CG 4.02Å; V268-M273 WeakPolarHBondContact O-CE 3.49Å; V268-Y307 HydrophobicContact CB-CE2 4.31Å; V268-Y307 HydrophobicContact CG1-CE2 4.23Å; V268-Y307 HydrophobicContact CG2-CD2 4.25Å; V268-Y307 HydrophobicContact CG2-CE1 4.29Å; V268-Y307 HydrophobicContact CG2-CE2 3.81Å
269H98.7Very high95.8Very high2 Ų236.6 Ų36.61%0.00923%0.232CC..  trans-70.2142.8-176.3-172.6-76.3000111.7E133 H241 V245 D246 F267 E271 V272 M273E133-H269 WeakPolarHBondContact OE1-CA 3.42Å; E133-H269 IonicContact OE1-CD2 3.74Å; E133-H269 IonicContact OE1-CG 3.86Å; H241-H269 AromaticContact CE1-NE2 3.88Å; H241-H269 AromaticContact ND1-CD2 3.96Å; H241-H269 AromaticContact ND1-NE2 3.64Å; H241-H269 PolarHBondContact O-NE2 2.93Å; V245-H269 WeakPolarHBondContact O-CB 3.35Å; D246-H269 PolarHBondContact O-N 2.89Å; D246-H269 VanDerWaalsContact O-N 3.09Å; F267-H269 HydrophobicContact CE1-CB 3.91Å; F267-H269 HydrophobicContact CZ-CB 3.82Å; H269-E271 VanDerWaalsContact C-N 3.25Å; H269-E271 IonicContact CE1-OE1 3.4Å; H269-E271 IonicContact CE1-OE2 2.72Å; H269-E271 WeakPolarHBondContact ND1-CB 3.38Å; H269-E271 PolarHBondContact ND1-N 2.81Å; H269-E271 PolarHBondContact O-N 3.49Å; H269-E271 VanDerWaalsContact O-N 3.16Å; H269-V272 HydrophobicContact CB-CG2 4.27Å; H269-V272 WeakPolarHBondContact O-CG2 3.47Å; H269-V272 PolarHBondContact O-N 2.98Å; H269-M273 PolarHBondContact O-N 2.74Å
270E97.2Very high95.9Very high68 Ų6839.4 Ų39.432%0.31824%0.241SC..Hα-helixtrans-54.4-40.3-174.265.5177.716800113.1R130 E133 H241 V272 M273R130-E270 IonicContact CZ-OE1 3.07Å; R130-E270 IonicContact CZ-OE2 2.9Å; R130-E270 IonicContact NH1-OE1 3.7Å; R130-E270 PolarHBondContact NH1-OE1 2.85Å; R130-E270 IonicContact NH1-OE2 2.88Å; R130-E270 PolarHBondContact NH1-OE2 3.12Å; R130-E270 IonicContact NH2-OE1 3.99Å; R130-E270 PolarHBondContact NH2-OE1 3.04Å; E133-E270 PolarHBondContact OE1-N 2.87Å; E133-E270 VanDerWaalsContact OE1-N 3.08Å; H241-E270 IonicContact CE1-OE1 2.69Å; H241-E270 PolarHBondContact CE1-OE1 2.95Å; E270-V272 VanDerWaalsContact C-N 3.25Å; E270-V272 PolarHBondContact O-N 3.43Å; E270-M273 PolarHBondContact O-N 2.88Å
271E96.6Very high96Very high105 Ų10543 Ų4349%0.49124%0.24SC..Hα-helixtrans-60.7-27.6-178.9-71.2178.8-176.600113.9K244 H269K244-E271 IonicContact NZ-OE1 3.17Å; K244-E271 PolarHBondContact NZ-OE1 2.79Å; K244-E271 IonicContact NZ-OE2 2.83Å; H269-E271 VanDerWaalsContact C-N 3.25Å; H269-E271 IonicContact CE1-OE1 3.4Å; H269-E271 IonicContact CE1-OE2 2.72Å; H269-E271 WeakPolarHBondContact ND1-CB 3.38Å; H269-E271 PolarHBondContact ND1-N 2.81Å; H269-E271 PolarHBondContact O-N 3.49Å; H269-E271 VanDerWaalsContact O-N 3.16Å
272V96.8Very high96.3Very high16 Ų1640.8 Ų40.810%0.09722%0.217CC..Hα-helixtrans-109.3-8.8-175.7-61.60000113.7F151 D246 V268 H269 E270 N274 S275 H276F151-V272 HydrophobicContact CE1-CB 4.32Å; F151-V272 HydrophobicContact CE1-CG2 3.84Å; F151-V272 HydrophobicContact CZ-CG2 4.15Å; D246-V272 HydrophobicContact CB-CG1 4.46Å; D246-V272 HydrophobicContact CB-CG2 4.21Å; D246-V272 VanDerWaalsContact O-CG2 3.26Å; D246-V272 WeakPolarHBondContact O-CG2 3.41Å; D246-V272 WeakPolarHBondContact OD1-CG1 3.46Å; V268-V272 HydrophobicContact CG1-CG2 4.24Å; H269-V272 HydrophobicContact CB-CG2 4.27Å; H269-V272 WeakPolarHBondContact O-CG2 3.47Å; H269-V272 PolarHBondContact O-N 2.98Å; E270-V272 VanDerWaalsContact C-N 3.25Å; E270-V272 PolarHBondContact O-N 3.43Å; V272-N274 VanDerWaalsContact C-N 3.33Å; V272-N274 PolarHBondContact O-N 2.87Å; V272-S275 PolarHBondContact O-N 3.07Å; V272-S275 PolarHBondContact O-OG 3.43Å; V272-H276 PolarHBondContact O-N 3.39Å; V272-H276 PolarHBondContact O-ND1 3.03Å
273M94.2Very high96.4Very high25 Ų2547.1 Ų47.112%0.12324%0.24CC..Hα-helixtrans-60.7-39.4-172.9-162.9177.1-72.800113.2V268 H269 E270 H276 G303 C304V268-M273 HydrophobicContact CB-CE 4.28Å; V268-M273 HydrophobicContact CG1-CB 4.02Å; V268-M273 HydrophobicContact CG1-CE 4.19Å; V268-M273 HydrophobicContact CG1-CG 4.02Å; V268-M273 WeakPolarHBondContact O-CE 3.49Å; H269-M273 PolarHBondContact O-N 2.74Å; E270-M273 PolarHBondContact O-N 2.88Å; M273-H276 CarbonylContact O-C 2.99Å; M273-H276 VanDerWaalsContact O-O 3.14Å; M273-G303 WeakPolarHBondContact SD-CA 3.35Å; M273-C304 HydrophobicContact CE-CB 4.1Å
274N93.4Very high96.4Very high153 Ų15347.4 Ų47.482%0.81824%0.242SC*.THydrogen-bonded Turntrans-75.7-32.2178.3-70.8-31.5000113.2V272 H276V272-N274 VanDerWaalsContact C-N 3.33Å; V272-N274 PolarHBondContact O-N 2.87Å; N274-H276 VanDerWaalsContact C-N 3.33Å
275S95.3Very high96.3Very high63 Ų6347.4 Ų47.444%0.44124%0.242SC..THydrogen-bonded Turntrans-81.8-17.4-179.9570000112.6K153 V272K153-S275 PolarHBondContact NZ-O 3.32Å; V272-S275 PolarHBondContact O-N 3.07Å; V272-S275 PolarHBondContact O-OG 3.43Å
276H96.1Very high96.2Very high27 Ų2748.2 Ų48.213%0.12525%0.245CC..SBendtrans-127.175.5176.8-58.380.7000108.7F151 V272 M273 N274 Y307F151-H276 HydrophobicContact CD1-CB 3.87Å; F151-H276 AromaticContact CD1-CD2 3.57Å; F151-H276 AromaticContact CD1-CG 3.56Å; F151-H276 HydrophobicContact CE1-CB 3.55Å; F151-H276 AromaticContact CE1-CG 3.52Å; F151-H276 AromaticContact CE1-ND1 3.9Å; F151-H276 HydrophobicContact CE2-CB 4.28Å; F151-H276 HydrophobicContact CG-CB 4.4Å; F151-H276 HydrophobicContact CZ-CB 3.76Å; V272-H276 PolarHBondContact O-N 3.39Å; V272-H276 PolarHBondContact O-ND1 3.03Å; M273-H276 CarbonylContact O-C 2.99Å; M273-H276 VanDerWaalsContact O-O 3.14Å; N274-H276 VanDerWaalsContact C-N 3.33Å; H276-Y307 PolarHBondContact O-OH 3.34Å
277P95.1Very high96.1Very high62 Ų6249.1 Ų49.140%0.40325%0.252SS..  trans-68.1161.417230.5-35.6000110.5A279P277-A279 PolarHBondContact O-N 3.16Å
278P96.6Very high95.8Very high8 Ų851.4 Ų51.45%0.05227%0.27CS..  trans-54.2128.3174.6-21.830.3000111.8W281 F300 A306 Y307P278-W281 PolarHBondContact O-NE1 3.45Å; P278-F300 HydrophobicContact CB-CE1 4.31Å; P278-F300 HydrophobicContact CG-CD1 4.28Å; P278-F300 HydrophobicContact CG-CE1 4.07Å; P278-A306 HydrophobicContact CG-CB 3.83Å; P278-A306 VanDerWaalsContact CG-O 3.28Å; P278-A306 WeakPolarHBondContact CG-O 3.45Å; P278-Y307 HydrophobicContact CB-CD1 4.28Å; P278-Y307 HydrophobicContact CB-CG 4.44Å; P278-Y307 HydrophobicContact CG-CD1 4.23Å; P278-Y307 HydrophobicContact CG-CD2 3.9Å; P278-Y307 HydrophobicContact CG-CE1 4.44Å; P278-Y307 HydrophobicContact CG-CE2 4.09Å; P278-Y307 HydrophobicContact CG-CG 3.98Å
279A96Very high95.6Very high50 Ų5055.5 Ų55.541%0.41330%0.304SS..SBendtrans-81.2-27.8173.600000112.5A149 P277A149-A279 HydrophobicContact CB-CB 3.86Å; A149-A279 VanDerWaalsContact O-CB 3.31Å; A149-A279 WeakPolarHBondContact O-CB 3.5Å; P277-A279 PolarHBondContact O-N 3.16Å
280L95.7Very high95.4Very high87 Ų8757.2 Ų57.246%0.45532%0.315SS..SBendtrans-105.6103.2176.3-62-179.8000108.6V146 I309V146-L280 HydrophobicContact CG2-CD1 4.09Å; L280-I309 HydrophobicContact CB-CD1 4.17Å; L280-I309 HydrophobicContact CD1-CD1 4.49Å
281W94.2Very high95.2Very high175 Ų17554.9 Ų54.966%0.66330%0.303SS*.  trans-81130.3-178.5-56-2.6000109.3P278 M298 F300P278-W281 PolarHBondContact O-NE1 3.45Å; W281-M298 HydrophobicContact CE3-CB 4.1Å; W281-M298 HydrophobicContact CE3-CG 4.2Å; W281-M298 HydrophobicContact CZ3-CB 4.19Å; W281-F300 AromaticContact CD1-CE1 3.97Å; W281-F300 AromaticContact CD1-CZ 3.75Å; W281-F300 HydrophobicContact CD2-CZ 4.09Å; W281-F300 AromaticContact CE2-CZ 3.76Å; W281-F300 HydrophobicContact CG-CE1 4.25Å; W281-F300 HydrophobicContact CG-CZ 4.12Å; W281-F300 HydrophobicContact CZ2-CZ 4.3Å; W281-F300 AromaticContact NE1-CZ 3.57Å
282G94.5Very high95Very high12 Ų1255.8 Ų55.812%0.12431%0.305CS..  trans-137.9161.2175.200000112.8W284 G285 H286 I309G282-W284 VanDerWaalsContact C-N 3.27Å; G282-W284 PolarHBondContact O-N 2.69Å; G282-G285 WeakPolarHBondContact O-CA 3.5Å; G282-G285 PolarHBondContact O-N 2.97Å; G282-H286 PolarHBondContact O-N 3.39Å; G282-I309 CarbonylContact C-O 3.51Å; G282-I309 VanDerWaalsContact C-O 3.27Å; G282-I309 VanDerWaalsContact CA-O 3.26Å; G282-I309 WeakPolarHBondContact CA-O 3.35Å
283W94.4Very high94.9Very high134 Ų13459.9 Ų59.951%0.50833%0.327SS..G310 helixtrans-58.9-35.7-170.7-178.422.7000113G285 H286 R291 F292 I309W283-G285 VanDerWaalsContact C-N 3.31Å; W283-G285 PolarHBondContact O-N 3.42Å; W283-H286 WeakPolarHBondContact O-CB 3.47Å; W283-H286 PolarHBondContact O-N 3.34Å; W283-R291 PolarHBondContact NE1-O 3.15Å; W283-F292 AromaticContact CH2-CE1 3.89Å; W283-F292 HydrophobicContact CH2-CE1 3.89Å; W283-F292 HydrophobicContact CH2-CZ 4.35Å; W283-F292 AromaticContact CZ2-CD1 3.87Å; W283-F292 HydrophobicContact CZ2-CD1 3.87Å; W283-F292 AromaticContact CZ2-CE1 3.35Å; W283-F292 HydrophobicContact CZ2-CE1 3.35Å; W283-F292 AromaticContact CZ2-CZ 3.79Å; W283-F292 HydrophobicContact CZ2-CZ 3.79Å; W283-I309 PolarHBondContact N-O 3.27Å
284W96Very high94.5Very high9 Ų965.9 Ų65.93%0.03436%0.357CS..G310 helixtrans-78.2-14.3177.2-103.8-108.4000114.7A113 G282 H286 R291 R308 I309 S310 H311 P312A113-W284 PolarHBondContact O-NE1 3.28Å; G282-W284 VanDerWaalsContact C-N 3.27Å; G282-W284 PolarHBondContact O-N 2.69Å; W284-H286 VanDerWaalsContact C-N 3.26Å; W284-R291 PolarHBondContact O-NH2 3.03Å; W284-R308 HydrophobicContact CB-CB 3.79Å; W284-R308 PolarHBondContact O-NE 2.94Å; W284-R308 PolarHBondContact O-NH2 3.47Å; W284-I309 PolarHBondContact N-O 3.33Å; W284-S310 WeakPolarHBondContact CB-O 3.33Å; W284-H311 VanDerWaalsContact CD2-CA 3.45Å; W284-H311 HydrophobicContact CD2-CB 4.19Å; W284-H311 HydrophobicContact CE3-CB 4Å; W284-H311 HydrophobicContact CH2-CB 3.46Å; W284-H311 VanDerWaalsContact CH2-CB 3.46Å; W284-H311 AromaticContact CH2-CD2 3.33Å; W284-H311 WeakPolarHBondContact CH2-CD2 3.28Å; W284-H311 AromaticContact CH2-CG 3.72Å; W284-H311 HydrophobicContact CZ2-CB 3.66Å; W284-H311 AromaticContact CZ2-CD2 3.14Å; W284-H311 WeakPolarHBondContact CZ2-CD2 3.42Å; W284-H311 AromaticContact CZ2-CG 3.59Å; W284-H311 HydrophobicContact CZ3-CB 3.59Å; W284-P312 VanDerWaalsContact NE1-CD 3.33Å
285G96.5Very high94.5Very high0 Ų062.5 Ų62.50%034%0.341CS..G310 helixtrans-81.7-8.5171.400000112.6G282 W283 E301 A306 R308G282-G285 WeakPolarHBondContact O-CA 3.5Å; G282-G285 PolarHBondContact O-N 2.97Å; W283-G285 VanDerWaalsContact C-N 3.31Å; W283-G285 PolarHBondContact O-N 3.42Å; G285-E301 WeakPolarHBondContact O-CB 3.38Å; G285-E301 PolarHBondContact O-N 2.76Å; G285-A306 WeakPolarHBondContact CA-O 2.77Å; G285-R308 WeakPolarHBondContact CA-O 3.47Å; G285-R308 PolarHBondContact N-O 3.04Å
286H96.4Very high94.1Very high16 Ų1667.3 Ų67.37%0.07436%0.362CS..BIsolated β-bridgetrans-80.3148.9172.3-169.692.3000111.1G282 W283 W284 A288 T290 R291 E297 M298 E299G282-H286 PolarHBondContact O-N 3.39Å; W283-H286 WeakPolarHBondContact O-CB 3.47Å; W283-H286 PolarHBondContact O-N 3.34Å; W284-H286 VanDerWaalsContact C-N 3.26Å; H286-A288 PolarHBondContact O-N 3.46Å; H286-T290 PolarHBondContact NE2-OG1 3.46Å; H286-R291 HydrophobicContact CB-CB 4.16Å; H286-R291 WeakPolarHBondContact CD2-CA 3.42Å; H286-R291 PolarHBondContact CD2-N 3.01Å; H286-R291 PolarHBondContact O-NE 3.03Å; H286-R291 PolarHBondContact O-NH2 3.38Å; H286-E297 PolarHBondContact CE1-O 2.94Å; H286-M298 HydrophobicContact CB-CE 3.98Å; H286-M298 HydrophobicContact CB-SD 3.86Å; H286-M298 PolarHBondContact ND1-SD 2.93Å; H286-E299 CarbonylContact C-O 3.37Å; H286-E299 VanDerWaalsContact CA-O 3.26Å; H286-E299 WeakPolarHBondContact CA-O 3.39Å; H286-E299 PolarHBondContact CE1-N 3.48Å; H286-E299 PolarHBondContact ND1-N 2.75Å; H286-E299 VanDerWaalsContact ND1-N 3.15Å; H286-E299 PolarHBondContact ND1-O 3.41Å
287C95.9Very high94Very high20 Ų2073.3 Ų73.314%0.13539%0.39CS..  trans-45.2125.3178.11760000112A289 T290 R291 E299C287-A289 PolarHBondContact O-N 3.32Å; C287-T290 WeakPolarHBondContact CB-OG1 3.21Å; C287-T290 PolarHBondContact O-N 3.08Å; C287-R291 WeakPolarHBondContact O-CB 3.49Å; C287-R291 PolarHBondContact O-N 2.79Å; C287-E299 HydrophobicContact CB-CB 4.16Å; C287-E299 HydrophobicContact CB-CG 3.86Å; C287-E299 WeakPolarHBondContact CB-OE2 3.34Å; C287-E299 PolarHBondContact N-O 3.17Å
288A93.5Very high93.9Very high47 Ų4773.2 Ų73.239%0.38839%0.385SS..THydrogen-bonded Turntrans-57.2-35.3-175.400000113.7H286 E301H286-A288 PolarHBondContact O-N 3.46Å; A288-E301 WeakPolarHBondContact CB-OE2 3.35Å; A288-E301 PolarHBondContact N-OE2 2.84Å
289A93.9Very high93.8Very high87 Ų8777.7 Ų77.772%0.71941%0.405SS*.THydrogen-bonded Turntrans-70.7-32-177.500000113.4C287C287-A289 PolarHBondContact O-N 3.32Å
290T94.5Very high93.8Very high37 Ų3778.8 Ų78.823%0.22740%0.401CS..THydrogen-bonded Turntrans-115-8.2-168.649.90000113.6H286 C287 F292 D293 E299H286-T290 PolarHBondContact NE2-OG1 3.46Å; C287-T290 WeakPolarHBondContact CB-OG1 3.21Å; C287-T290 PolarHBondContact O-N 3.08Å; T290-F292 PolarHBondContact O-N 2.87Å; T290-D293 WeakPolarHBondContact CA-OD2 3.21Å; T290-D293 VanDerWaalsContact O-CB 3.28Å; T290-D293 WeakPolarHBondContact O-CB 3.43Å; T290-D293 PolarHBondContact O-N 3.17Å; T290-E299 PolarHBondContact OG1-OE2 3.12Å
291R93.3Very high93.7Very high19 Ų1976.3 Ų76.37%0.07239%0.387CS..THydrogen-bonded Turntrans-59.4-17.5-175.27217860.6166.12116.3W283 W284 H286 C287W283-R291 PolarHBondContact NE1-O 3.15Å; W284-R291 PolarHBondContact O-NH2 3.03Å; H286-R291 HydrophobicContact CB-CB 4.16Å; H286-R291 WeakPolarHBondContact CD2-CA 3.42Å; H286-R291 PolarHBondContact CD2-N 3.01Å; H286-R291 PolarHBondContact O-NE 3.03Å; H286-R291 PolarHBondContact O-NH2 3.38Å; C287-R291 WeakPolarHBondContact O-CB 3.49Å; C287-R291 PolarHBondContact O-N 2.79Å
292F92.9Very high93.7Very high124 Ų12476.2 Ų76.254%0.54439%0.391SS..THydrogen-bonded Turntrans-100.5-2.4177.6-71.9-81.1000113.1W283 T290 M294W283-F292 AromaticContact CH2-CE1 3.89Å; W283-F292 HydrophobicContact CH2-CE1 3.89Å; W283-F292 HydrophobicContact CH2-CZ 4.35Å; W283-F292 AromaticContact CZ2-CD1 3.87Å; W283-F292 HydrophobicContact CZ2-CD1 3.87Å; W283-F292 AromaticContact CZ2-CE1 3.35Å; W283-F292 HydrophobicContact CZ2-CE1 3.35Å; W283-F292 AromaticContact CZ2-CZ 3.79Å; W283-F292 HydrophobicContact CZ2-CZ 3.79Å; T290-F292 PolarHBondContact O-N 2.87Å; F292-M294 PolarHBondContact O-N 3.47Å
293D94.4Very high93.8Very high102 Ų10276.6 Ų76.655%0.54540%0.395SS..SBendtrans-74.1-18175.2-61.4-19000111.6T290 T295T290-D293 WeakPolarHBondContact CA-OD2 3.21Å; T290-D293 VanDerWaalsContact O-CB 3.28Å; T290-D293 WeakPolarHBondContact O-CB 3.43Å; T290-D293 PolarHBondContact O-N 3.17Å; D293-T295 VanDerWaalsContact C-N 3.25Å; D293-T295 HydrophobicContact CB-CG2 4.01Å; D293-T295 PolarHBondContact O-N 3.27Å
294M86.6Confident93.9Very high152 Ų15270.2 Ų70.275%0.74937%0.371SS*.  trans53.737.8173.4-60.4-177-7000113.7F292 N296F292-M294 PolarHBondContact O-N 3.47Å; M294-N296 PolarHBondContact O-N 3.04Å
295T92.2Very high94Very high81 Ų8171.4 Ų71.450%0.49738%0.378SS..  trans-67.1-15-178.961.10000113.9D293 E297D293-T295 VanDerWaalsContact C-N 3.25Å; D293-T295 HydrophobicContact CB-CG2 4.01Å; D293-T295 PolarHBondContact O-N 3.27Å; T295-E297 PolarHBondContact O-N 3.13Å; T295-E297 PolarHBondContact OG1-N 3.37Å
296N87.9Confident94Very high165 Ų16571.8 Ų71.888%0.88238%0.381SS*.SBendtrans6314-167.9-55.6-61.9000114.7M294M294-N296 PolarHBondContact O-N 3.04Å
297E93.2Very high94.1Very high153 Ų15371 Ų7172%0.71538%0.377SS*.  trans-104.5125.7171.9-62.9-176168.900108.7H286 T295 E299H286-E297 PolarHBondContact CE1-O 2.94Å; T295-E297 PolarHBondContact O-N 3.13Å; T295-E297 PolarHBondContact OG1-N 3.37Å; E297-E299 PolarHBondContact O-N 3.27Å
298M93.1Very high94.2Very high59 Ų5970.5 Ų70.529%0.29137%0.372SS..  trans-82113-178.8-173.565.4177.900110.9W281 H286 F300W281-M298 HydrophobicContact CE3-CB 4.1Å; W281-M298 HydrophobicContact CE3-CG 4.2Å; W281-M298 HydrophobicContact CZ3-CB 4.19Å; H286-M298 HydrophobicContact CB-CE 3.98Å; H286-M298 HydrophobicContact CB-SD 3.86Å; H286-M298 PolarHBondContact ND1-SD 2.93Å; M298-F300 HydrophobicContact CE-CD1 3.48Å; M298-F300 VanDerWaalsContact CE-CD1 3.48Å; M298-F300 HydrophobicContact CE-CE1 3.58Å; M298-F300 HydrophobicContact CE-CG 4.35Å; M298-F300 HydrophobicContact CE-CZ 4.5Å; M298-F300 HydrophobicContact CG-CD1 4.28Å; M298-F300 HydrophobicContact CG-CE1 4.04Å; M298-F300 HydrophobicContact CG-CE2 4.34Å; M298-F300 HydrophobicContact CG-CZ 4.07Å
299E94.3Very high94.3Very high102 Ų10270 Ų7048%0.47736%0.363SS..  trans-102.9106.6164.5-174.5-174.9-170.200108H286 C287 T290 E297H286-E299 CarbonylContact C-O 3.37Å; H286-E299 VanDerWaalsContact CA-O 3.26Å; H286-E299 WeakPolarHBondContact CA-O 3.39Å; H286-E299 PolarHBondContact CE1-N 3.48Å; H286-E299 PolarHBondContact ND1-N 2.75Å; H286-E299 VanDerWaalsContact ND1-N 3.15Å; H286-E299 PolarHBondContact ND1-O 3.41Å; C287-E299 HydrophobicContact CB-CB 4.16Å; C287-E299 HydrophobicContact CB-CG 3.86Å; C287-E299 WeakPolarHBondContact CB-OE2 3.34Å; C287-E299 PolarHBondContact N-O 3.17Å; T290-E299 PolarHBondContact OG1-OE2 3.12Å; E297-E299 PolarHBondContact O-N 3.27Å
300F95.7Very high94.4Very high74 Ų7469.5 Ų69.533%0.32535%0.354SS..BIsolated β-bridgetrans-63.7138.8178.1-70.9-70.5000111.1P278 W281 M298 A306P278-F300 HydrophobicContact CB-CE1 4.31Å; P278-F300 HydrophobicContact CG-CD1 4.28Å; P278-F300 HydrophobicContact CG-CE1 4.07Å; W281-F300 AromaticContact CD1-CE1 3.97Å; W281-F300 AromaticContact CD1-CZ 3.75Å; W281-F300 HydrophobicContact CD2-CZ 4.09Å; W281-F300 AromaticContact CE2-CZ 3.76Å; W281-F300 HydrophobicContact CG-CE1 4.25Å; W281-F300 HydrophobicContact CG-CZ 4.12Å; W281-F300 HydrophobicContact CZ2-CZ 4.3Å; W281-F300 AromaticContact NE1-CZ 3.57Å; M298-F300 HydrophobicContact CE-CD1 3.48Å; M298-F300 VanDerWaalsContact CE-CD1 3.48Å; M298-F300 HydrophobicContact CE-CE1 3.58Å; M298-F300 HydrophobicContact CE-CG 4.35Å; M298-F300 HydrophobicContact CE-CZ 4.5Å; M298-F300 HydrophobicContact CG-CD1 4.28Å; M298-F300 HydrophobicContact CG-CE1 4.04Å; M298-F300 HydrophobicContact CG-CE2 4.34Å; M298-F300 HydrophobicContact CG-CZ 4.07Å; F300-A306 HydrophobicContact CB-CB 4.14Å; F300-A306 HydrophobicContact CD1-CB 4.15Å; F300-A306 HydrophobicContact CG-CB 4.48Å
301E95.5Very high94.4Very high35 Ų3570.4 Ų70.416%0.16436%0.356CS..PPolyproline II helixtrans-60.7155.5166.5-172.354.8-92.300110.5G285 A288 L305 A306G285-E301 WeakPolarHBondContact O-CB 3.38Å; G285-E301 PolarHBondContact O-N 2.76Å; A288-E301 WeakPolarHBondContact CB-OE2 3.35Å; A288-E301 PolarHBondContact N-OE2 2.84Å; E301-L305 HydrophobicContact CB-CB 4.13Å; E301-L305 HydrophobicContact CG-CB 3.52Å; E301-L305 HydrophobicContact CG-CD1 4Å; E301-L305 HydrophobicContact CG-CG 4.42Å; E301-A306 WeakPolarHBondContact O-CB 3.45Å
302K94Very high94.6Very high173 Ų17369.8 Ų69.875%0.75235%0.354SS*.SBendtrans-69148.9177-65-178.2-178.3177.20111.5L305K302-L305 WeakPolarHBondContact O-CB 3.42Å
303G95.4Very high94.7Very high19 Ų1966.5 Ų66.520%0.19635%0.345CS..G310 helixtrans71.2-159.4171.400000112.9D132 M273 L305 A306D132-G303 WeakPolarHBondContact O-CA 3.49Å; M273-G303 WeakPolarHBondContact SD-CA 3.35Å; G303-L305 PolarHBondContact O-N 2.97Å; G303-L305 VanDerWaalsContact O-N 3.15Å; G303-A306 WeakPolarHBondContact O-CB 3.41Å; G303-A306 PolarHBondContact O-N 3.45Å
304C97.5Very high94.8Very high0 Ų062.3 Ų62.30%032%0.324CS..G310 helixtrans-64.6-15.5176.5-163.80000112.7D132 E133 S135 M273 A306 Y307D132-C304 WeakPolarHBondContact O-CB 3.32Å; D132-C304 PolarHBondContact O-N 3.44Å; E133-C304 WeakPolarHBondContact O-CB 3.45Å; E133-C304 PolarHBondContact O-SG 3.43Å; S135-C304 WeakPolarHBondContact CB-O 3.49Å; M273-C304 HydrophobicContact CE-CB 4.1Å; C304-A306 PolarHBondContact O-N 2.84Å; C304-Y307 WeakPolarHBondContact O-CB 3.44Å; C304-Y307 PolarHBondContact O-N 2.88Å; C304-Y307 VanDerWaalsContact O-N 3.07Å
305L97Very high95.3Very high34 Ų3458.6 Ų58.618%0.17831%0.307CS..G310 helixtrans-62.5-21.6174.8-61-176.9000113.2L117 E301 K302 G303 Y307 R308L117-L305 HydrophobicContact CD2-CD1 3.91Å; L117-L305 HydrophobicContact CD2-CD2 3.73Å; E301-L305 HydrophobicContact CB-CB 4.13Å; E301-L305 HydrophobicContact CG-CB 3.52Å; E301-L305 HydrophobicContact CG-CD1 4Å; E301-L305 HydrophobicContact CG-CG 4.42Å; K302-L305 WeakPolarHBondContact O-CB 3.42Å; G303-L305 PolarHBondContact O-N 2.97Å; G303-L305 VanDerWaalsContact O-N 3.15Å; L305-Y307 PolarHBondContact O-N 2.86Å; L305-R308 WeakPolarHBondContact O-CG 3.42Å; L305-R308 PolarHBondContact O-N 3.19Å; L305-R308 PolarHBondContact O-NE 2.81Å
306A97.1Very high95.5Very high8 Ų857.8 Ų57.87%0.06630%0.3CS..G310 helixtrans-56.5-27.8172.300000112.9P278 G285 F300 E301 G303 C304 R308P278-A306 HydrophobicContact CG-CB 3.83Å; P278-A306 VanDerWaalsContact CG-O 3.28Å; P278-A306 WeakPolarHBondContact CG-O 3.45Å; G285-A306 WeakPolarHBondContact CA-O 2.77Å; F300-A306 HydrophobicContact CB-CB 4.14Å; F300-A306 HydrophobicContact CD1-CB 4.15Å; F300-A306 HydrophobicContact CG-CB 4.48Å; E301-A306 WeakPolarHBondContact O-CB 3.45Å; G303-A306 WeakPolarHBondContact O-CB 3.41Å; G303-A306 PolarHBondContact O-N 3.45Å; C304-A306 PolarHBondContact O-N 2.84Å; A306-R308 VanDerWaalsContact C-N 3.31Å; A306-R308 PolarHBondContact O-N 3.04Å
307Y97.9Very high96Very high1 Ų149.9 Ų49.90%0.00426%0.258CS..G310 helixtrans-76.7-15.5-177.3-79-100.1000113.7M137 V146 L147 A150 F151 V268 H276 P278 C304 L305M137-Y307 WeakPolarHBondContact CE-O 3.3Å; V146-Y307 HydrophobicContact CG1-CD1 4.15Å; L147-Y307 HydrophobicContact CD2-CD1 4.32Å; L147-Y307 HydrophobicContact CD2-CE1 4.09Å; A150-Y307 HydrophobicContact CB-CE1 3.87Å; F151-Y307 HydrophobicContact CE2-CE1 4.37Å; F151-Y307 VanDerWaalsContact CE2-OH 3.29Å; F151-Y307 WeakPolarHBondContact CE2-OH 3.36Å; V268-Y307 HydrophobicContact CB-CE2 4.31Å; V268-Y307 HydrophobicContact CG1-CE2 4.23Å; V268-Y307 HydrophobicContact CG2-CD2 4.25Å; V268-Y307 HydrophobicContact CG2-CE1 4.29Å; V268-Y307 HydrophobicContact CG2-CE2 3.81Å; H276-Y307 PolarHBondContact O-OH 3.34Å; P278-Y307 HydrophobicContact CB-CD1 4.28Å; P278-Y307 HydrophobicContact CB-CG 4.44Å; P278-Y307 HydrophobicContact CG-CD1 4.23Å; P278-Y307 HydrophobicContact CG-CD2 3.9Å; P278-Y307 HydrophobicContact CG-CE1 4.44Å; P278-Y307 HydrophobicContact CG-CE2 4.09Å; P278-Y307 HydrophobicContact CG-CG 3.98Å; C304-Y307 WeakPolarHBondContact O-CB 3.44Å; C304-Y307 PolarHBondContact O-N 2.88Å; C304-Y307 VanDerWaalsContact O-N 3.07Å; L305-Y307 PolarHBondContact O-N 2.86Å
308R97.5Very high96.2Very high8 Ų842.6 Ų42.63%0.0322%0.223CC..  trans-61.3140.9-179.2-64.5-176-63.6-176.2-3.9110.8D116 S135 M137 W284 G285 L305 A306D116-R308 IonicContact OD1-NH1 2.64Å; D116-R308 WeakPolarHBondContact OD2-CD 3.26Å; D116-R308 IonicContact OD2-CZ 3.65Å; D116-R308 IonicContact OD2-NE 3.8Å; D116-R308 IonicContact OD2-NH1 2.95Å; D116-R308 PolarHBondContact OD2-NH1 3.3Å; S135-R308 WeakPolarHBondContact OG-CG 3.48Å; M137-R308 HydrophobicContact SD-CG 4.32Å; W284-R308 HydrophobicContact CB-CB 3.79Å; W284-R308 PolarHBondContact O-NE 2.94Å; W284-R308 PolarHBondContact O-NH2 3.47Å; G285-R308 WeakPolarHBondContact CA-O 3.47Å; G285-R308 PolarHBondContact N-O 3.04Å; L305-R308 WeakPolarHBondContact O-CG 3.42Å; L305-R308 PolarHBondContact O-N 3.19Å; L305-R308 PolarHBondContact O-NE 2.81Å; A306-R308 VanDerWaalsContact C-N 3.31Å; A306-R308 PolarHBondContact O-N 3.04Å
309I96.6Very high96.5Very high38 Ų3840.5 Ų40.520%0.19521%0.214CC..  trans-104.5-51.7-176.9-59.3178.4000111.4M137 V146 L280 G282 W283 W284M137-I309 HydrophobicContact CE-CD1 4.45Å; M137-I309 HydrophobicContact CE-CG1 4.17Å; V146-I309 HydrophobicContact CG2-CD1 3.64Å; L280-I309 HydrophobicContact CB-CD1 4.17Å; L280-I309 HydrophobicContact CD1-CD1 4.49Å; G282-I309 CarbonylContact C-O 3.51Å; G282-I309 VanDerWaalsContact C-O 3.27Å; G282-I309 VanDerWaalsContact CA-O 3.26Å; G282-I309 WeakPolarHBondContact CA-O 3.35Å; W283-I309 PolarHBondContact N-O 3.27Å; W284-I309 PolarHBondContact N-O 3.33Å
310S95.3Very high96.7Very high75 Ų7535.6 Ų35.652%0.52419%0.191SC..SBendtrans-131.9171.5-170.2-63.40000111.9W284W284-S310 WeakPolarHBondContact CB-O 3.33Å
311H96Very high96.8Very high57 Ų5733.5 Ų33.526%0.26418%0.183SC..  trans-51.6131.8173.1-173-67.3000110.8H105 W112 W284H105-H311 AromaticContact CE1-CD2 3.82Å; H105-H311 AromaticContact CE1-NE2 3.22Å; H105-H311 PolarHBondContact CE1-NE2 3.25Å; H105-H311 AromaticContact ND1-CD2 3.82Å; H105-H311 AromaticContact ND1-CE1 3.88Å; H105-H311 AromaticContact ND1-NE2 2.96Å; H105-H311 PolarHBondContact ND1-NE2 3.24Å; W112-H311 PolarHBondContact O-CE1 3.12Å; W112-H311 PolarHBondContact O-NE2 2.95Å; W284-H311 VanDerWaalsContact CD2-CA 3.45Å; W284-H311 HydrophobicContact CD2-CB 4.19Å; W284-H311 HydrophobicContact CE3-CB 4Å; W284-H311 HydrophobicContact CH2-CB 3.46Å; W284-H311 VanDerWaalsContact CH2-CB 3.46Å; W284-H311 AromaticContact CH2-CD2 3.33Å; W284-H311 WeakPolarHBondContact CH2-CD2 3.28Å; W284-H311 AromaticContact CH2-CG 3.72Å; W284-H311 HydrophobicContact CZ2-CB 3.66Å; W284-H311 AromaticContact CZ2-CD2 3.14Å; W284-H311 WeakPolarHBondContact CZ2-CD2 3.42Å; W284-H311 AromaticContact CZ2-CG 3.59Å; W284-H311 HydrophobicContact CZ3-CB 3.59Å
312P96.4Very high97Very high6 Ų631.9 Ų31.94%0.03918%0.176CC..  trans-66.7135.5179.629.1-37.2000111.2W112 C115 D116 W284 A314W112-P312 WeakPolarHBondContact O-CG 3.46Å; C115-P312 VanDerWaalsContact SG-CG 3.59Å; D116-P312 HydrophobicContact CB-CB 3.86Å; D116-P312 HydrophobicContact CB-CG 4.27Å; W284-P312 VanDerWaalsContact NE1-CD 3.33Å; P312-A314 PolarHBondContact O-N 3.45Å
313P95.8Very high97.2Very high54 Ų5423.8 Ų23.835%0.35114%0.141SC..  trans-69.295.5176.627.6-35.4000111L263 L315 L316 A317L263-P313 HydrophobicContact CD1-CG 4.13Å; L263-P313 HydrophobicContact CD2-CG 3.44Å; L263-P313 VanDerWaalsContact CD2-CG 3.44Å; L263-P313 HydrophobicContact CG-CG 3.88Å; P313-L315 VanDerWaalsContact C-N 3.34Å; P313-L315 PolarHBondContact O-N 3.39Å; P313-L316 HydrophobicContact CB-CB 4.17Å; P313-L316 HydrophobicContact CB-CD1 3.96Å; P313-L316 HydrophobicContact CB-CG 4.15Å; P313-L316 HydrophobicContact CG-CB 4.09Å; P313-L316 HydrophobicContact CG-CD1 3.92Å; P313-L316 HydrophobicContact CG-CG 4.38Å; P313-L316 WeakPolarHBondContact O-CA 3.4Å; P313-L316 WeakPolarHBondContact O-CB 3.44Å; P313-L316 PolarHBondContact O-N 3.48Å; P313-A317 PolarHBondContact O-N 3.25Å
314A95.9Very high97.3Very high14 Ų1423.1 Ų23.112%0.11613%0.133CC..Hα-helixtrans-55.1-41.1-171.800000114.8W112 P312 L316 A317W112-A314 HydrophobicContact CB-CB 3.8Å; W112-A314 HydrophobicContact CG-CB 3.64Å; P312-A314 PolarHBondContact O-N 3.45Å; A314-L316 VanDerWaalsContact C-N 3.25Å; A314-L316 PolarHBondContact O-N 2.93Å; A314-A317 VanDerWaalsContact O-CB 3.27Å; A314-A317 WeakPolarHBondContact O-CB 3.33Å; A314-A317 PolarHBondContact O-N 2.85Å
315L97Very high97.4Very high75 Ų7526.5 Ų26.539%0.39315%0.149SC..Hα-helixtrans-66.2-28.2177.9-64.1-179.6000112.8E93 L94 P313 A317 C318 P319E93-L315 HydrophobicContact CB-CD2 3.92Å; L94-L315 HydrophobicContact CD2-CD1 4.07Å; L94-L315 HydrophobicContact CD2-CD2 4.18Å; L94-L315 HydrophobicContact CG-CD2 4.4Å; P313-L315 VanDerWaalsContact C-N 3.34Å; P313-L315 PolarHBondContact O-N 3.39Å; L315-A317 VanDerWaalsContact C-N 3.32Å; L315-C318 PolarHBondContact O-N 3.18Å; L315-P319 VanDerWaalsContact O-CD 3.23Å; L315-P319 WeakPolarHBondContact O-CD 3.38Å
316L97.2Very high97.5Very high63 Ų6325.2 Ų25.233%0.3314%0.142SC..Hα-helixtrans-80.7-13.9174.7-61.9-178.2000112.6L263 P313 A314 C318L263-L316 HydrophobicContact CD1-CB 4.29Å; L263-L316 HydrophobicContact CG-CB 4.07Å; P313-L316 HydrophobicContact CB-CB 4.17Å; P313-L316 HydrophobicContact CB-CD1 3.96Å; P313-L316 HydrophobicContact CB-CG 4.15Å; P313-L316 HydrophobicContact CG-CB 4.09Å; P313-L316 HydrophobicContact CG-CD1 3.92Å; P313-L316 HydrophobicContact CG-CG 4.38Å; P313-L316 WeakPolarHBondContact O-CA 3.4Å; P313-L316 WeakPolarHBondContact O-CB 3.44Å; P313-L316 PolarHBondContact O-N 3.48Å; A314-L316 VanDerWaalsContact C-N 3.25Å; A314-L316 PolarHBondContact O-N 2.93Å; L316-C318 VanDerWaalsContact C-N 3.35Å
317A97.9Very high97.5Very high0 Ų025.5 Ų25.50%014%0.142CC..Hα-helixtrans-71.6-30.6169.400000111.6M110 C115 L119 L263 P313 A314 L315 M320 L321M110-A317 HydrophobicContact CE-CB 4.49Å; M110-A317 HydrophobicContact SD-CB 4.13Å; C115-A317 HydrophobicContact CB-CB 4.19Å; L119-A317 HydrophobicContact CD1-CB 3.92Å; L263-A317 HydrophobicContact CD1-CB 4.45Å; P313-A317 PolarHBondContact O-N 3.25Å; A314-A317 VanDerWaalsContact O-CB 3.27Å; A314-A317 WeakPolarHBondContact O-CB 3.33Å; A314-A317 PolarHBondContact O-N 2.85Å; L315-A317 VanDerWaalsContact C-N 3.32Å; A317-M320 PolarHBondContact O-N 3.35Å; A317-L321 WeakPolarHBondContact O-CB 3.11Å; A317-L321 PolarHBondContact O-N 2.66Å
318C98.3Very high97.5Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-60.3-49.5-176.5-53.60000113.7L89 V90 E93 L315 L316 M320 L321 A322L89-C318 HydrophobicContact CB-CB 3.82Å; L89-C318 WeakPolarHBondContact CD1-O 3.49Å; V90-C318 HydrophobicContact CG2-CB 3.71Å; E93-C318 VanDerWaalsContact CG-SG 3.54Å; L315-C318 PolarHBondContact O-N 3.18Å; L316-C318 VanDerWaalsContact C-N 3.35Å; C318-M320 VanDerWaalsContact C-N 3.34Å; C318-M320 PolarHBondContact O-N 3.3Å; C318-L321 PolarHBondContact O-N 3.3Å; C318-A322 PolarHBondContact O-N 3.17Å
319P98.4Very high97.6Very high14 Ų1436 Ų369%0.09119%0.191CC..Hα-helixtrans-63.5-36.2175.9-23.233.8000113.7T86 S258 L315 A322 S323T86-P319 HydrophobicContact CG2-CB 3.87Å; T86-P319 HydrophobicContact CG2-CG 3.79Å; S258-P319 VanDerWaalsContact C-CB 3.5Å; S258-P319 WeakPolarHBondContact O-CB 3.43Å; L315-P319 VanDerWaalsContact O-CD 3.23Å; L315-P319 WeakPolarHBondContact O-CD 3.38Å; P319-A322 PolarHBondContact O-N 2.83Å; P319-S323 WeakPolarHBondContact O-CB 3.5Å; P319-S323 PolarHBondContact O-N 3.49Å
320M98.4Very high97.7Very high0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-67-39.6176.6-167.7-175.3-72.600110.8L119 Q123 V136 S252 L263 V265 A317 C318 S323 L324L119-M320 HydrophobicContact CB-SD 3.99Å; L119-M320 HydrophobicContact CD1-CB 4.23Å; L119-M320 HydrophobicContact CD1-CG 4.34Å; L119-M320 HydrophobicContact CD1-SD 3.66Å; L119-M320 HydrophobicContact CD2-CB 4.13Å; L119-M320 HydrophobicContact CD2-CG 4.17Å; L119-M320 HydrophobicContact CD2-SD 4.33Å; L119-M320 HydrophobicContact CG-SD 4.2Å; Q123-M320 HydrophobicContact CG-SD 4.29Å; V136-M320 HydrophobicContact CG1-CE 3.89Å; V136-M320 HydrophobicContact CG1-SD 3.93Å; V136-M320 HydrophobicContact CG2-SD 4.48Å; S252-M320 VanDerWaalsContact CB-CE 3.45Å; S252-M320 WeakPolarHBondContact OG-CE 3.42Å; L263-M320 HydrophobicContact CB-CE 3.6Å; L263-M320 WeakPolarHBondContact O-CE 3.17Å; V265-M320 HydrophobicContact CG2-CE 4.26Å; A317-M320 PolarHBondContact O-N 3.35Å; C318-M320 VanDerWaalsContact C-N 3.34Å; C318-M320 PolarHBondContact O-N 3.3Å; M320-S323 WeakPolarHBondContact O-CB 3.31Å; M320-S323 PolarHBondContact O-N 2.92Å; M320-L324 WeakPolarHBondContact O-CG 3.26Å; M320-L324 PolarHBondContact O-N 2.98Å
321L98.3Very high97.8Very high30 Ų3034.4 Ų34.416%0.15718%0.18CC..Hα-helixtrans-62.1-44.1173.3-177.961.1000111.7L89 M110 L119 A317 C318 S323 L324 Q325L89-L321 HydrophobicContact CD1-CB 4.11Å; L89-L321 HydrophobicContact CD1-CD2 4.08Å; L89-L321 HydrophobicContact CD1-CG 4.06Å; L89-L321 HydrophobicContact CD2-CD2 4.34Å; M110-L321 HydrophobicContact CE-CB 4.23Å; M110-L321 HydrophobicContact CE-CD2 3.35Å; M110-L321 HydrophobicContact CE-CG 4.41Å; L119-L321 HydrophobicContact CD2-CB 3.95Å; L119-L321 HydrophobicContact CD2-CD1 4.45Å; A317-L321 WeakPolarHBondContact O-CB 3.11Å; A317-L321 PolarHBondContact O-N 2.66Å; C318-L321 PolarHBondContact O-N 3.3Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.23Å; L321-L324 PolarHBondContact O-N 2.76Å; L321-Q325 WeakPolarHBondContact O-CG 3.46Å; L321-Q325 PolarHBondContact O-N 3.42Å; L321-Q325 VanDerWaalsContact O-N 3.08Å
322A98.5Very high97.9Very high1 Ų132.6 Ų32.61%0.00817%0.172CC..Hα-helixtrans-60.5-39.7175.800000112P83 N85 T86 L89 C318 P319 Q325 V326P83-A322 HydrophobicContact CB-CB 4.01Å; P83-A322 HydrophobicContact CG-CB 4.38Å; N85-A322 HydrophobicContact CB-CB 4.45Å; T86-A322 WeakPolarHBondContact OG1-CB 3.24Å; L89-A322 HydrophobicContact CD1-CB 3.92Å; C318-A322 PolarHBondContact O-N 3.17Å; P319-A322 PolarHBondContact O-N 2.83Å; A322-Q325 WeakPolarHBondContact O-CB 3.4Å; A322-Q325 PolarHBondContact O-N 3.43Å; A322-V326 PolarHBondContact O-N 2.89Å
323S98.5Very high98Very high2 Ų237.6 Ų37.61%0.01420%0.195CC..Hα-helixtrans-63.3-50.3174.9174.10000112L256 P319 M320 L321 Q325 V326 F327L256-S323 WeakPolarHBondContact O-CB 3.38Å; L256-S323 PolarHBondContact O-OG 3.48Å; P319-S323 WeakPolarHBondContact O-CB 3.5Å; P319-S323 PolarHBondContact O-N 3.49Å; M320-S323 WeakPolarHBondContact O-CB 3.31Å; M320-S323 PolarHBondContact O-N 2.92Å; L321-S323 VanDerWaalsContact C-N 3.29Å; L321-S323 PolarHBondContact O-N 3.23Å; S323-Q325 PolarHBondContact O-N 2.85Å; S323-Q325 VanDerWaalsContact O-N 3.17Å; S323-V326 WeakPolarHBondContact O-CA 3.49Å; S323-V326 WeakPolarHBondContact O-CB 3.2Å; S323-V326 PolarHBondContact O-N 2.71Å; S323-F327 WeakPolarHBondContact O-CD2 3.35Å; S323-F327 PolarHBondContact O-N 3.13Å
324L98.6Very high98.2Very high6 Ų637 Ų373%0.03119%0.193CC..Hα-helixtrans-58.9-31.3179.1-71.4178000112.5L119 I126 M320 L321 V326 F327 K328L119-L324 HydrophobicContact CB-CD1 4.21Å; L119-L324 HydrophobicContact CD2-CD1 3.96Å; I126-L324 HydrophobicContact CD1-CD2 3.66Å; M320-L324 WeakPolarHBondContact O-CG 3.26Å; M320-L324 PolarHBondContact O-N 2.98Å; L321-L324 PolarHBondContact O-N 2.76Å; L324-V326 VanDerWaalsContact C-N 3.31Å; L324-V326 PolarHBondContact O-N 2.65Å; L324-F327 PolarHBondContact O-N 3.04Å; L324-K328 VanDerWaalsContact O-CG 3.3Å; L324-K328 WeakPolarHBondContact O-CG 3.3Å; L324-K328 PolarHBondContact O-N 3.14Å
325Q98.5Very high98.3Very high71 Ų7136.4 Ų36.433%0.33219%0.187SC..Hα-helixtrans-63.3-34.8172.5-71.3167.6-12.700112.9N85 L321 A322 S323N85-Q325 PolarHBondContact ND2-OE1 3.29Å; L321-Q325 WeakPolarHBondContact O-CG 3.46Å; L321-Q325 PolarHBondContact O-N 3.42Å; L321-Q325 VanDerWaalsContact O-N 3.08Å; A322-Q325 WeakPolarHBondContact O-CB 3.4Å; A322-Q325 PolarHBondContact O-N 3.43Å; S323-Q325 PolarHBondContact O-N 2.85Å; S323-Q325 VanDerWaalsContact O-N 3.17Å
326V98.7Very high98.4Very high6 Ų633.6 Ų33.64%0.03617%0.171CC..Hα-helixtrans-73.6-43.3174.5-177.80000110.6L45 H48 F49 P83 A322 S323 L324 K328 L329 L411L45-V326 HydrophobicContact CD2-CG1 4.5Å; H48-V326 HydrophobicContact CB-CG1 4.29Å; H48-V326 HydrophobicContact CB-CG2 3.82Å; F49-V326 HydrophobicContact CE2-CG1 3.86Å; F49-V326 HydrophobicContact CZ-CG1 3.91Å; F49-V326 HydrophobicContact CZ-CG2 4.47Å; P83-V326 HydrophobicContact CB-CG2 4.25Å; A322-V326 PolarHBondContact O-N 2.89Å; S323-V326 WeakPolarHBondContact O-CA 3.49Å; S323-V326 WeakPolarHBondContact O-CB 3.2Å; S323-V326 PolarHBondContact O-N 2.71Å; L324-V326 VanDerWaalsContact C-N 3.31Å; L324-V326 PolarHBondContact O-N 2.65Å; V326-K328 PolarHBondContact O-N 3.07Å; V326-L329 WeakPolarHBondContact O-CB 3.45Å; V326-L329 PolarHBondContact O-N 3.25Å; V326-L411 HydrophobicContact CG1-CD2 4.13Å
327F98.6Very high98.4Very high14 Ų1439.2 Ų39.26%0.06119%0.188CC..Hα-helixtrans-59.3-34.2177.6-85.9-88.3000112.5I126 Y255 L256 S323 L324 L329 T330 M332 L335 L411I126-F327 HydrophobicContact CD1-CB 4.16Å; I126-F327 HydrophobicContact CD1-CD1 3.81Å; I126-F327 HydrophobicContact CD1-CD2 4.19Å; I126-F327 HydrophobicContact CD1-CE1 4.25Å; I126-F327 HydrophobicContact CD1-CG 3.78Å; I126-F327 HydrophobicContact CG1-CD1 4.08Å; I126-F327 HydrophobicContact CG1-CG 4.43Å; Y255-F327 WeakPolarHBondContact O-CZ 3.36Å; L256-F327 HydrophobicContact CD2-CD2 4.48Å; L256-F327 HydrophobicContact CD2-CE1 4.25Å; L256-F327 HydrophobicContact CD2-CE2 3.73Å; L256-F327 HydrophobicContact CD2-CZ 3.59Å; S323-F327 WeakPolarHBondContact O-CD2 3.35Å; S323-F327 PolarHBondContact O-N 3.13Å; L324-F327 PolarHBondContact O-N 3.04Å; F327-L329 PolarHBondContact O-N 3.34Å; F327-L329 VanDerWaalsContact O-N 3.13Å; F327-T330 PolarHBondContact O-N 3.12Å; F327-M332 HydrophobicContact CD1-SD 4.22Å; F327-M332 HydrophobicContact CE1-SD 3.87Å; F327-L335 HydrophobicContact CD1-CD1 4.05Å; F327-L335 HydrophobicContact CE1-CD1 3.8Å; F327-L411 HydrophobicContact CE1-CD1 4.48Å; F327-L411 HydrophobicContact CE2-CD1 3.86Å; F327-L411 HydrophobicContact CZ-CD1 3.69Å
328K98.2Very high98.4Very high145 Ų14539.4 Ų39.463%0.6319%0.189SC*.THydrogen-bonded Turntrans-63.1-13.5175-77.4175.8179.9-173.10115.2L324 V326 T330L324-K328 VanDerWaalsContact O-CG 3.3Å; L324-K328 WeakPolarHBondContact O-CG 3.3Å; L324-K328 PolarHBondContact O-N 3.14Å; V326-K328 PolarHBondContact O-N 3.07Å; K328-T330 VanDerWaalsContact C-N 3.28Å
329L98.4Very high98.4Very high85 Ų8539.4 Ų39.445%0.44519%0.189SC..THydrogen-bonded Turntrans-85-2.4178.4-56.2177000112.7L45 H48 V326 F327L45-L329 HydrophobicContact CD2-CB 3.79Å; L45-L329 HydrophobicContact CD2-CD1 4.25Å; H48-L329 VanDerWaalsContact CE1-CD1 3.45Å; H48-L329 WeakPolarHBondContact CE1-CD1 3.14Å; H48-L329 WeakPolarHBondContact NE2-CD1 3.33Å; V326-L329 WeakPolarHBondContact O-CB 3.45Å; V326-L329 PolarHBondContact O-N 3.25Å; F327-L329 PolarHBondContact O-N 3.34Å; F327-L329 VanDerWaalsContact O-N 3.13Å
330T98.4Very high98.4Very high17 Ų1739.6 Ų39.610%0.10419%0.189CC..SBendtrans-154.3-172.2-173.5-165.60000110.9L42 L45 F327 K328 L335L42-T330 WeakPolarHBondContact CD2-OG1 3.35Å; L45-T330 HydrophobicContact CD1-CG2 3.92Å; F327-T330 PolarHBondContact O-N 3.12Å; K328-T330 VanDerWaalsContact C-N 3.28Å; T330-L335 HydrophobicContact CG2-CD1 3.77Å; T330-L335 HydrophobicContact CG2-CD2 3.75Å; T330-L335 HydrophobicContact CG2-CG 3.69Å
331T98.3Very high98.4Very high62 Ų6240 Ų4038%0.3819%0.191SC..  trans-128.1156.9174.180.30000110.6E333 S334 L335T331-E333 WeakPolarHBondContact CB-OE2 3.27Å; T331-E333 PolarHBondContact O-N 3.27Å; T331-E333 PolarHBondContact OG1-N 3.09Å; T331-E333 PolarHBondContact OG1-OE2 3.21Å; T331-S334 PolarHBondContact O-N 2.98Å; T331-S334 VanDerWaalsContact O-N 3.12Å; T331-S334 PolarHBondContact OG1-N 3.01Å; T331-S334 PolarHBondContact OG1-OG 3.46Å; T331-L335 WeakPolarHBondContact O-CG 3.46Å; T331-L335 PolarHBondContact O-N 2.79Å
332M98.4Very high98.5Very high19 Ų1938.6 Ų38.69%0.09418%0.184CC..Hα-helixtrans-60.1-31.5176.8-74.6-54.1-55.100112.6I126 F327 L335 R336I126-M332 HydrophobicContact CG2-SD 4.31Å; F327-M332 HydrophobicContact CD1-SD 4.22Å; F327-M332 HydrophobicContact CE1-SD 3.87Å; M332-L335 HydrophobicContact SD-CD1 3.94Å; M332-R336 WeakPolarHBondContact O-CB 3.48Å; M332-R336 PolarHBondContact O-N 2.61Å
333E98.4Very high98.5Very high111 Ų11138.7 Ų38.752%0.51918%0.184SC..Hα-helixtrans-66.5-43.4175-59.673.9-163.600111.6T331 R336 R337T331-E333 WeakPolarHBondContact CB-OE2 3.27Å; T331-E333 PolarHBondContact O-N 3.27Å; T331-E333 PolarHBondContact OG1-N 3.09Å; T331-E333 PolarHBondContact OG1-OE2 3.21Å; E333-R336 PolarHBondContact O-N 2.95Å; E333-R337 WeakPolarHBondContact O-CG 3.24Å; E333-R337 PolarHBondContact O-N 3.11Å
334S98.5Very high98.4Very high43 Ų4338.8 Ų38.830%0.30119%0.185SC..Hα-helixtrans-65.6-43.7178.1-58.20000110.7T331 R336 R337 K338T331-S334 PolarHBondContact O-N 2.98Å; T331-S334 VanDerWaalsContact O-N 3.12Å; T331-S334 PolarHBondContact OG1-N 3.01Å; T331-S334 PolarHBondContact OG1-OG 3.46Å; S334-R336 VanDerWaalsContact C-N 3.34Å; S334-R336 PolarHBondContact O-N 3.44Å; S334-R337 PolarHBondContact O-N 2.91Å; S334-K338 PolarHBondContact O-N 3.04Å; S334-K338 VanDerWaalsContact O-N 3.14Å
335L98.7Very high98.4Very high0 Ų038.5 Ų38.50%018%0.184CC..Hα-helixtrans-61-42.9174.5-70.5177.6000112L42 L45 F327 T330 T331 M332 K338 S339 H410 L411L42-L335 HydrophobicContact CD1-CD2 3.87Å; L45-L335 HydrophobicContact CD1-CD2 3.91Å; F327-L335 HydrophobicContact CD1-CD1 4.05Å; F327-L335 HydrophobicContact CE1-CD1 3.8Å; T330-L335 HydrophobicContact CG2-CD1 3.77Å; T330-L335 HydrophobicContact CG2-CD2 3.75Å; T330-L335 HydrophobicContact CG2-CG 3.69Å; T331-L335 WeakPolarHBondContact O-CG 3.46Å; T331-L335 PolarHBondContact O-N 2.79Å; M332-L335 HydrophobicContact SD-CD1 3.94Å; L335-K338 PolarHBondContact O-N 3.21Å; L335-S339 WeakPolarHBondContact O-CB 3.23Å; L335-S339 PolarHBondContact O-N 3.1Å; L335-H410 VanDerWaalsContact CB-CD2 3.44Å; L335-H410 WeakPolarHBondContact CB-CD2 3.4Å; L335-H410 WeakPolarHBondContact CD2-CD2 3.49Å; L335-H410 WeakPolarHBondContact O-CB 3.31Å; L335-L411 HydrophobicContact CD1-CD2 4.26Å; L335-L411 HydrophobicContact CD2-CD2 3.87Å; L335-L411 HydrophobicContact CD2-CG 4.3Å
336R98.5Very high98.4Very high17 Ų1735.1 Ų35.16%0.06417%0.168CC..Hα-helixtrans-61.5-44.9177178.356.3172.4172.36.5112P237 M332 E333 S334 K338 S339 I340 P367 E368 R370P237-R336 HydrophobicContact CG-CB 3.7Å; P237-R336 HydrophobicContact CG-CG 3.71Å; M332-R336 WeakPolarHBondContact O-CB 3.48Å; M332-R336 PolarHBondContact O-N 2.61Å; E333-R336 PolarHBondContact O-N 2.95Å; S334-R336 VanDerWaalsContact C-N 3.34Å; S334-R336 PolarHBondContact O-N 3.44Å; R336-K338 PolarHBondContact O-N 3.03Å; R336-S339 WeakPolarHBondContact O-CB 3.49Å; R336-S339 PolarHBondContact O-N 2.73Å; R336-I340 HydrophobicContact CG-CD1 4.13Å; R336-I340 WeakPolarHBondContact O-CG1 3.37Å; R336-I340 PolarHBondContact O-N 2.69Å; R336-P367 PolarHBondContact NH2-O 3.31Å; R336-E368 IonicContact NE-OE2 3.82Å; R336-E368 IonicContact NH2-OE2 3.61Å; R336-E368 PolarHBondContact NH2-OE2 2.93Å; R336-E368 VanDerWaalsContact NH2-OE2 3.17Å; R336-R370 PolarHBondContact NH1-O 2.99Å; R336-R370 PolarHBondContact NH2-O 3.27Å
337R98.3Very high98.3Very high180 Ų18036.2 Ų36.268%0.67917%0.173SC*.Hα-helixtrans-56.5-49.9175-71.9172.9-175.8-175.90.7111E333 S334 S339 I340 M341E333-R337 WeakPolarHBondContact O-CG 3.24Å; E333-R337 PolarHBondContact O-N 3.11Å; S334-R337 PolarHBondContact O-N 2.91Å; R337-S339 VanDerWaalsContact C-N 3.35Å; R337-S339 PolarHBondContact O-N 3.1Å; R337-I340 PolarHBondContact O-N 2.78Å; R337-M341 WeakPolarHBondContact O-CG 3.29Å; R337-M341 PolarHBondContact O-N 3.11Å; R337-M341 VanDerWaalsContact O-N 3.11Å
338K98.4Very high98.2Very high4 Ų437 Ų372%0.01718%0.176CC..Hα-helixtrans-61.4-41.6176.8176.7169.2172.4176.50112.4D40 L42 S334 L335 R336 I340 M341 L342 H410 N413D40-K338 WeakPolarHBondContact OD2-CD 3.43Å; D40-K338 WeakPolarHBondContact OD2-CE 3.39Å; D40-K338 IonicContact OD2-NZ 3.13Å; D40-K338 PolarHBondContact OD2-NZ 2.94Å; L42-K338 HydrophobicContact CB-CD 3.93Å; L42-K338 HydrophobicContact CD1-CB 4.21Å; L42-K338 HydrophobicContact CD1-CD 4.25Å; S334-K338 PolarHBondContact O-N 3.04Å; S334-K338 VanDerWaalsContact O-N 3.14Å; L335-K338 PolarHBondContact O-N 3.21Å; R336-K338 PolarHBondContact O-N 3.03Å; K338-I340 PolarHBondContact O-N 3.15Å; K338-M341 PolarHBondContact O-N 3.13Å; K338-L342 HydrophobicContact CD-CD1 4.49Å; K338-L342 HydrophobicContact CG-CD1 3.93Å; K338-L342 HydrophobicContact CG-CG 4.23Å; K338-L342 WeakPolarHBondContact O-CG 3.45Å; K338-L342 PolarHBondContact O-N 3.21Å; K338-H410 HydrophobicContact CB-CB 4.12Å; K338-H410 HydrophobicContact CD-CB 4.21Å; K338-H410 WeakPolarHBondContact CD-O 3.1Å; K338-H410 WeakPolarHBondContact CE-O 3.19Å; K338-H410 HydrophobicContact CG-CB 3.94Å; K338-H410 PolarHBondContact NZ-O 3.08Å; K338-N413 WeakPolarHBondContact CE-O 3.29Å; K338-N413 PolarHBondContact NZ-O 2.66Å
339S98.4Very high98.1Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-57.4-46.1176.5176.60000112.6L335 R336 R337 M341 L342 T343 C372L335-S339 WeakPolarHBondContact O-CB 3.23Å; L335-S339 PolarHBondContact O-N 3.1Å; R336-S339 WeakPolarHBondContact O-CB 3.49Å; R336-S339 PolarHBondContact O-N 2.73Å; R337-S339 VanDerWaalsContact C-N 3.35Å; R337-S339 PolarHBondContact O-N 3.1Å; S339-M341 VanDerWaalsContact C-N 3.31Å; S339-L342 PolarHBondContact O-N 3.1Å; S339-T343 WeakPolarHBondContact O-CB 3.4Å; S339-T343 WeakPolarHBondContact O-CG2 3.44Å; S339-T343 PolarHBondContact O-N 3.22Å; S339-T343 PolarHBondContact O-OG1 2.84Å; S339-C372 WeakPolarHBondContact OG-CA 3.35Å; S339-C372 WeakPolarHBondContact OG-CB 3.19Å
340I98.5Very high98Very high18 Ų1826.2 Ų26.29%0.09213%0.125CC..Hα-helixtrans-61.1-44.3177.4-72.5169.5000109.8L12 R336 R337 K338 T343 G344 P367 E368L12-I340 HydrophobicContact CD1-CG2 3.7Å; L12-I340 HydrophobicContact CD2-CG2 3.96Å; L12-I340 HydrophobicContact CG-CG2 4.39Å; R336-I340 HydrophobicContact CG-CD1 4.13Å; R336-I340 WeakPolarHBondContact O-CG1 3.37Å; R336-I340 PolarHBondContact O-N 2.69Å; R337-I340 PolarHBondContact O-N 2.78Å; K338-I340 PolarHBondContact O-N 3.15Å; I340-T343 PolarHBondContact O-OG1 2.94Å; I340-G344 PolarHBondContact O-N 3.25Å; I340-P367 HydrophobicContact CG1-CB 4.28Å; I340-P367 HydrophobicContact CG2-CB 3.94Å; I340-E368 WeakPolarHBondContact CD1-OE1 3.45Å
341M98.2Very high97.7Very high10 Ų1028.4 Ų28.45%0.04914%0.136CC..Hα-helixtrans-64.1-47.1177.8-66-54-61.700113M1 M4 L12 F15 F16 M36 R337 K338 S339 G344 Y345 F415M1-M341 HydrophobicContact CE-CB 4.45Å; M1-M341 HydrophobicContact CE-CG 4.46Å; M4-M341 HydrophobicContact SD-SD 4.18Å; L12-M341 HydrophobicContact CD2-SD 3.89Å; F15-M341 HydrophobicContact CD1-CE 3.58Å; F15-M341 HydrophobicContact CE1-CE 3.17Å; F15-M341 HydrophobicContact CE1-SD 4.32Å; F15-M341 HydrophobicContact CZ-CE 4.03Å; F16-M341 HydrophobicContact CD1-CE 4.34Å; F16-M341 HydrophobicContact CE1-CE 3.39Å; F16-M341 HydrophobicContact CZ-CE 3.73Å; M36-M341 HydrophobicContact CE-CE 3.87Å; R337-M341 WeakPolarHBondContact O-CG 3.29Å; R337-M341 PolarHBondContact O-N 3.11Å; R337-M341 VanDerWaalsContact O-N 3.11Å; K338-M341 PolarHBondContact O-N 3.13Å; S339-M341 VanDerWaalsContact C-N 3.31Å; M341-G344 PolarHBondContact O-N 2.92Å; M341-Y345 WeakPolarHBondContact O-CB 3.38Å; M341-Y345 PolarHBondContact O-N 3.38Å; M341-F415 HydrophobicContact CB-CE1 4.03Å; M341-F415 HydrophobicContact CB-CZ 3.74Å
342L98.6Very high97.5Very high0 Ų028.2 Ų28.20%014%0.137CC..Hα-helixtrans-63.3-46.5179.5-76173.1000112.1K338 S339 Y345 L346 P408 F415 V418K338-L342 HydrophobicContact CD-CD1 4.49Å; K338-L342 HydrophobicContact CG-CD1 3.93Å; K338-L342 HydrophobicContact CG-CG 4.23Å; K338-L342 WeakPolarHBondContact O-CG 3.45Å; K338-L342 PolarHBondContact O-N 3.21Å; S339-L342 PolarHBondContact O-N 3.1Å; L342-Y345 PolarHBondContact O-N 3.38Å; L342-L346 WeakPolarHBondContact O-CB 3.36Å; L342-L346 PolarHBondContact O-N 3.09Å; L342-P408 HydrophobicContact CB-CB 4.16Å; L342-P408 HydrophobicContact CB-CG 4.3Å; L342-P408 HydrophobicContact CD1-CB 4.39Å; L342-F415 HydrophobicContact CD2-CD1 4.01Å; L342-F415 HydrophobicContact CD2-CD2 4.06Å; L342-F415 HydrophobicContact CD2-CE1 4.08Å; L342-F415 HydrophobicContact CD2-CE2 4.12Å; L342-F415 HydrophobicContact CD2-CG 3.98Å; L342-F415 HydrophobicContact CD2-CZ 4.12Å; L342-F415 HydrophobicContact CG-CZ 4.41Å; L342-V418 HydrophobicContact CD2-CG2 4.23Å
343T98.5Very high97Very high2 Ų230.9 Ų30.91%0.01215%0.147CC..Hα-helixtrans-71.3-34.6179.154.40000112.5S339 I340 L346 E347 C372 I374 P408S339-T343 WeakPolarHBondContact O-CB 3.4Å; S339-T343 WeakPolarHBondContact O-CG2 3.44Å; S339-T343 PolarHBondContact O-N 3.22Å; S339-T343 PolarHBondContact O-OG1 2.84Å; I340-T343 PolarHBondContact O-OG1 2.94Å; T343-L346 PolarHBondContact O-N 3.45Å; T343-E347 WeakPolarHBondContact O-CB 3.29Å; T343-E347 PolarHBondContact O-N 3.27Å; T343-C372 HydrophobicContact CG2-CB 4.4Å; T343-I374 HydrophobicContact CG2-CG1 4.26Å; T343-P408 HydrophobicContact CG2-CG 4.05Å
344G98Very high96.2Very high4 Ų425.6 Ų25.64%0.04112%0.122CC..Hα-helixtrans-63.6-40.5171.300000112.5F16 I340 M341 E347 Y348F16-G344 VanDerWaalsContact CE2-C 3.48Å; I340-G344 PolarHBondContact O-N 3.25Å; M341-G344 PolarHBondContact O-N 2.92Å; G344-E347 PolarHBondContact O-N 3.25Å; G344-Y348 WeakPolarHBondContact O-CB 3.33Å; G344-Y348 PolarHBondContact O-N 3.34Å
345Y98.3Very high95Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-66.7-43.9175.5-176.7-123.1000111.5V27 F32 A33 M341 L342 E347 Y348 L349 F415 V418V27-Y345 HydrophobicContact CG1-CD2 4.11Å; V27-Y345 HydrophobicContact CG1-CE2 3.72Å; V27-Y345 VanDerWaalsContact O-CE2 3.3Å; V27-Y345 WeakPolarHBondContact O-CE2 3.45Å; V27-Y345 PolarHBondContact O-OH 3.35Å; F32-Y345 HydrophobicContact CD1-CD2 4.41Å; F32-Y345 AromaticContact CD1-CE2 3.66Å; F32-Y345 HydrophobicContact CD1-CE2 3.66Å; F32-Y345 HydrophobicContact CE1-CD2 4.09Å; F32-Y345 AromaticContact CE1-CE2 3.77Å; F32-Y345 HydrophobicContact CE1-CE2 3.77Å; A33-Y345 HydrophobicContact CB-CE1 4.15Å; M341-Y345 WeakPolarHBondContact O-CB 3.38Å; M341-Y345 PolarHBondContact O-N 3.38Å; L342-Y345 PolarHBondContact O-N 3.38Å; Y345-E347 VanDerWaalsContact C-N 3.35Å; Y345-E347 PolarHBondContact O-N 3.46Å; Y345-Y348 WeakPolarHBondContact O-CB 3.41Å; Y345-Y348 PolarHBondContact O-N 3.04Å; Y345-L349 HydrophobicContact CD1-CD1 4.25Å; Y345-L349 HydrophobicContact CD2-CG 4.44Å; Y345-L349 HydrophobicContact CE1-CD1 3.69Å; Y345-L349 HydrophobicContact CE1-CG 4.35Å; Y345-L349 HydrophobicContact CE2-CD1 4.24Å; Y345-L349 HydrophobicContact CE2-CD2 4.04Å; Y345-L349 HydrophobicContact CE2-CG 4.04Å; Y345-L349 WeakPolarHBondContact O-CG 3.4Å; Y345-L349 PolarHBondContact O-N 2.86Å; Y345-L349 VanDerWaalsContact O-N 3.07Å; Y345-F415 HydrophobicContact CD1-CB 4.15Å; Y345-F415 AromaticContact CD1-CD1 3.77Å; Y345-F415 HydrophobicContact CD1-CD1 3.77Å; Y345-F415 HydrophobicContact CD1-CG 4.47Å; Y345-F415 HydrophobicContact CE1-CB 4.24Å; Y345-F415 AromaticContact CG-CD1 3.93Å; Y345-F415 HydrophobicContact CG-CD1 3.93Å; Y345-V418 HydrophobicContact CD1-CB 4.02Å; Y345-V418 HydrophobicContact CD1-CG1 3.61Å; Y345-V418 HydrophobicContact CE1-CB 4.43Å; Y345-V418 HydrophobicContact CE1-CG1 4.14Å; Y345-V418 HydrophobicContact CG-CG1 4.48Å
346L98.1Very high93.7Very high0 Ų034.8 Ų34.80%017%0.17CC..Hα-helixtrans-56-50.9172.7175.556.2000110.6L342 T343 Y348 L349 I350 I374 V406 P408 V418 F421 V422L342-L346 WeakPolarHBondContact O-CB 3.36Å; L342-L346 PolarHBondContact O-N 3.09Å; T343-L346 PolarHBondContact O-N 3.45Å; L346-Y348 VanDerWaalsContact C-N 3.35Å; L346-Y348 PolarHBondContact O-N 2.99Å; L346-L349 PolarHBondContact O-N 3.46Å; L346-I350 HydrophobicContact CD1-CD1 4.1Å; L346-I350 HydrophobicContact CD1-CG1 3.82Å; L346-I350 HydrophobicContact CG-CG1 4.29Å; L346-I350 WeakPolarHBondContact O-CG1 3.25Å; L346-I350 PolarHBondContact O-N 3.41Å; L346-I374 HydrophobicContact CD2-CB 3.8Å; L346-I374 HydrophobicContact CD2-CG1 3.83Å; L346-I374 HydrophobicContact CG-CB 4.47Å; L346-I374 HydrophobicContact CG-CG1 4.33Å; L346-V406 HydrophobicContact CD2-CB 4.07Å; L346-V406 HydrophobicContact CD2-CG1 3.76Å; L346-P408 HydrophobicContact CD2-CG 4.27Å; L346-V418 HydrophobicContact CB-CG1 3.64Å; L346-V418 HydrophobicContact CD1-CG1 4.07Å; L346-V418 HydrophobicContact CG-CG1 4.42Å; L346-F421 HydrophobicContact CD1-CD1 3.9Å; L346-F421 HydrophobicContact CD1-CE1 3.98Å; L346-V422 HydrophobicContact CD1-CG2 3.66Å
347E97Very high92.6Very high30 Ų3035.5 Ų35.514%0.1417%0.174CC..Hα-helixtrans-55.9-46.6177178.8174.8125.500112.5T343 G344 Y345 L349 I350 D351 I361 R365 R370T343-E347 WeakPolarHBondContact O-CB 3.29Å; T343-E347 PolarHBondContact O-N 3.27Å; G344-E347 PolarHBondContact O-N 3.25Å; Y345-E347 VanDerWaalsContact C-N 3.35Å; Y345-E347 PolarHBondContact O-N 3.46Å; E347-L349 VanDerWaalsContact C-N 3.35Å; E347-L349 PolarHBondContact O-N 3.12Å; E347-I350 PolarHBondContact O-N 2.86Å; E347-D351 PolarHBondContact O-N 3.31Å; E347-I361 HydrophobicContact CG-CD1 4.15Å; E347-R365 VanDerWaalsContact CG-CZ 3.44Å; E347-R365 IonicContact OE1-CZ 3.65Å; E347-R365 IonicContact OE1-NE 2.76Å; E347-R365 PolarHBondContact OE1-NE 3.43Å; E347-R365 VanDerWaalsContact OE1-NE 3.13Å; E347-R365 IonicContact OE1-NH2 2.9Å; E347-R365 PolarHBondContact OE1-NH2 2.85Å; E347-R365 IonicContact OE2-CZ 3.63Å; E347-R365 IonicContact OE2-NE 3.81Å; E347-R365 PolarHBondContact OE2-NE 3.21Å; E347-R365 IonicContact OE2-NH2 3.1Å; E347-R370 IonicContact OE2-CZ 2.85Å; E347-R370 VanDerWaalsContact OE2-CZ 3.25Å; E347-R370 IonicContact OE2-NH1 3.61Å; E347-R370 PolarHBondContact OE2-NH1 3.2Å; E347-R370 IonicContact OE2-NH2 3.97Å; E347-R370 PolarHBondContact OE2-NH2 2.96Å
348Y96.5Very high91.8Very high30 Ų3033.7 Ų33.712%0.11817%0.173CC..Hα-helixtrans-55.6-49.5177.7-172-67.3000111.5K13 F16 D17 V27 T28 G344 Y345 L346 D351 S352K13-Y348 HydrophobicContact CB-CD2 4.29Å; K13-Y348 HydrophobicContact CB-CE2 4.49Å; K13-Y348 HydrophobicContact CD-CE2 4.5Å; K13-Y348 HydrophobicContact CG-CD2 3.73Å; K13-Y348 HydrophobicContact CG-CE2 3.57Å; F16-Y348 HydrophobicContact CB-CD2 4.26Å; F16-Y348 HydrophobicContact CB-CE2 4.31Å; F16-Y348 HydrophobicContact CD2-CD2 4.06Å; D17-Y348 VanDerWaalsContact OD1-CE2 3.29Å; D17-Y348 WeakPolarHBondContact OD1-CE2 3.24Å; D17-Y348 PolarHBondContact OD1-OH 3.22Å; V27-Y348 HydrophobicContact CB-CD1 4.09Å; V27-Y348 HydrophobicContact CB-CE1 3.55Å; V27-Y348 HydrophobicContact CB-CE2 4.29Å; V27-Y348 HydrophobicContact CG1-CD1 3.44Å; V27-Y348 VanDerWaalsContact CG1-CD1 3.44Å; V27-Y348 HydrophobicContact CG1-CD2 4.07Å; V27-Y348 HydrophobicContact CG1-CE1 3.46Å; V27-Y348 VanDerWaalsContact CG1-CE1 3.46Å; V27-Y348 HydrophobicContact CG1-CE2 4.02Å; V27-Y348 HydrophobicContact CG1-CG 3.81Å; V27-Y348 HydrophobicContact CG2-CE1 4.16Å; V27-Y348 HydrophobicContact CG2-CE2 4.07Å; T28-Y348 HydrophobicContact CG2-CE1 4.11Å; G344-Y348 WeakPolarHBondContact O-CB 3.33Å; G344-Y348 PolarHBondContact O-N 3.34Å; Y345-Y348 WeakPolarHBondContact O-CB 3.41Å; Y345-Y348 PolarHBondContact O-N 3.04Å; L346-Y348 VanDerWaalsContact C-N 3.35Å; L346-Y348 PolarHBondContact O-N 2.99Å; Y348-D351 PolarHBondContact O-N 3.31Å; Y348-S352 WeakPolarHBondContact CD1-OG 3.38Å; Y348-S352 VanDerWaalsContact CE1-OG 3.29Å; Y348-S352 WeakPolarHBondContact CE1-OG 3.36Å; Y348-S352 WeakPolarHBondContact O-CB 3.43Å; Y348-S352 PolarHBondContact O-N 2.91Å; Y348-S352 PolarHBondContact O-OG 3.16Å
349L96.4Very high91.3Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-66.2-39.3-179-65.8-176.9000111.7T28 Y345 L346 E347 S352 Y353 V418 Y419 V422T28-L349 HydrophobicContact CG2-CD2 4.05Å; Y345-L349 HydrophobicContact CD1-CD1 4.25Å; Y345-L349 HydrophobicContact CD2-CG 4.44Å; Y345-L349 HydrophobicContact CE1-CD1 3.69Å; Y345-L349 HydrophobicContact CE1-CG 4.35Å; Y345-L349 HydrophobicContact CE2-CD1 4.24Å; Y345-L349 HydrophobicContact CE2-CD2 4.04Å; Y345-L349 HydrophobicContact CE2-CG 4.04Å; Y345-L349 WeakPolarHBondContact O-CG 3.4Å; Y345-L349 PolarHBondContact O-N 2.86Å; Y345-L349 VanDerWaalsContact O-N 3.07Å; L346-L349 PolarHBondContact O-N 3.46Å; E347-L349 VanDerWaalsContact C-N 3.35Å; E347-L349 PolarHBondContact O-N 3.12Å; L349-S352 PolarHBondContact O-N 3.26Å; L349-Y353 HydrophobicContact CD2-CE2 4.3Å; L349-Y353 VanDerWaalsContact O-CD2 3.3Å; L349-Y353 WeakPolarHBondContact O-CD2 3.42Å; L349-Y353 PolarHBondContact O-N 3.09Å; L349-Y353 VanDerWaalsContact O-N 3.11Å; L349-V418 HydrophobicContact CD1-CG1 4.3Å; L349-Y419 HydrophobicContact CD1-CD2 4.46Å; L349-V422 HydrophobicContact CB-CB 4.2Å; L349-V422 HydrophobicContact CB-CG1 3.96Å; L349-V422 HydrophobicContact CB-CG2 3.88Å; L349-V422 HydrophobicContact CD1-CB 4.13Å; L349-V422 HydrophobicContact CD1-CG2 3.99Å
350I94.9Very high90.9Very high3 Ų338.3 Ų38.32%0.01520%0.196CC..Hα-helixtrans-63-46.7176.7-64.7-69.7000110.5L346 E347 S352 Y353 L354 I361 L376 V422 L425L346-I350 HydrophobicContact CD1-CD1 4.1Å; L346-I350 HydrophobicContact CD1-CG1 3.82Å; L346-I350 HydrophobicContact CG-CG1 4.29Å; L346-I350 WeakPolarHBondContact O-CG1 3.25Å; L346-I350 PolarHBondContact O-N 3.41Å; E347-I350 PolarHBondContact O-N 2.86Å; I350-S352 VanDerWaalsContact C-N 3.32Å; I350-S352 PolarHBondContact O-N 3.35Å; I350-Y353 PolarHBondContact O-N 3.22Å; I350-L354 HydrophobicContact CD1-CD1 3.35Å; I350-L354 HydrophobicContact CD1-CG 4.38Å; I350-L354 HydrophobicContact CG2-CB 4.23Å; I350-L354 HydrophobicContact CG2-CD1 4.26Å; I350-L354 WeakPolarHBondContact O-CA 3.5Å; I350-L354 VanDerWaalsContact O-CB 3.3Å; I350-L354 WeakPolarHBondContact O-CB 3.44Å; I350-L354 PolarHBondContact O-N 3.25Å; I350-I361 HydrophobicContact CB-CD1 4.16Å; I350-I361 HydrophobicContact CG2-CD1 3.66Å; I350-I361 HydrophobicContact CG2-CG1 4.01Å; I350-L376 HydrophobicContact CD1-CD1 3.75Å; I350-L376 HydrophobicContact CD1-CD2 4.2Å; I350-L376 HydrophobicContact CG1-CD2 4.32Å; I350-L376 HydrophobicContact CG2-CD2 4.06Å; I350-V422 HydrophobicContact CD1-CG2 4.08Å; I350-V422 HydrophobicContact CG1-CG2 4.48Å; I350-L425 HydrophobicContact CD1-CD2 4.39Å
351D93.6Very high90.7Very high64 Ų6438.6 Ų38.634%0.34220%0.198SC..Hα-helixtrans-64.7-38.8178.6-70.9-17.6000112.1E347 Y348 Y353 S355 R365E347-D351 PolarHBondContact O-N 3.31Å; Y348-D351 PolarHBondContact O-N 3.31Å; D351-Y353 VanDerWaalsContact C-N 3.33Å; D351-Y353 PolarHBondContact O-N 2.85Å; D351-S355 PolarHBondContact O-OG 2.97Å; D351-S355 VanDerWaalsContact O-OG 3.06Å; D351-R365 IonicContact OD1-CZ 2.73Å; D351-R365 IonicContact OD1-NH1 3.66Å; D351-R365 PolarHBondContact OD1-NH1 3.19Å; D351-R365 IonicContact OD1-NH2 3.99Å; D351-R365 IonicContact OD2-CZ 2.71Å; D351-R365 IonicContact OD2-NH1 3.38Å; D351-R365 IonicContact OD2-NH2 2.89Å; D351-R365 PolarHBondContact OD2-NH2 3.21Å
352S92.4Very high90.5Very high57 Ų5738.2 Ų38.240%0.39920%0.196SC..Hα-helixtrans-66.4-33.4-178.9-61.40000112.8Y348 L349 I350Y348-S352 WeakPolarHBondContact CD1-OG 3.38Å; Y348-S352 VanDerWaalsContact CE1-OG 3.29Å; Y348-S352 WeakPolarHBondContact CE1-OG 3.36Å; Y348-S352 WeakPolarHBondContact O-CB 3.43Å; Y348-S352 PolarHBondContact O-N 2.91Å; Y348-S352 PolarHBondContact O-OG 3.16Å; L349-S352 PolarHBondContact O-N 3.26Å; I350-S352 VanDerWaalsContact C-N 3.32Å; I350-S352 PolarHBondContact O-N 3.35Å
353Y88.5Confident90.4Very high75 Ų7538.2 Ų38.229%0.29420%0.196SC..Hα-helixtrans-119.2-26.6-170.6-64.7-60.3000115.8T28 L349 I350 D351 H357 V422 L426T28-Y353 WeakPolarHBondContact CB-OH 3.39Å; T28-Y353 HydrophobicContact CG2-CE2 3.92Å; T28-Y353 PolarHBondContact O-OH 3.47Å; T28-Y353 PolarHBondContact OG1-OH 3.06Å; L349-Y353 HydrophobicContact CD2-CE2 4.3Å; L349-Y353 VanDerWaalsContact O-CD2 3.3Å; L349-Y353 WeakPolarHBondContact O-CD2 3.42Å; L349-Y353 PolarHBondContact O-N 3.09Å; L349-Y353 VanDerWaalsContact O-N 3.11Å; I350-Y353 PolarHBondContact O-N 3.22Å; D351-Y353 VanDerWaalsContact C-N 3.33Å; D351-Y353 PolarHBondContact O-N 2.85Å; Y353-H357 PolarHBondContact O-CD2 3.47Å; Y353-V422 HydrophobicContact CD2-CG1 4.18Å; Y353-L426 HydrophobicContact CD1-CD1 4.16Å; Y353-L426 HydrophobicContact CD2-CD1 3.77Å; Y353-L426 HydrophobicContact CE2-CD1 4.32Å; Y353-L426 HydrophobicContact CG-CD1 3.65Å; Y353-L426 HydrophobicContact CG-CD2 4.45Å
354L82.1Confident90.2Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-110.2-3.1-169.5-62-176000114.8I350 E356 H357 C359 L425 L426 L429I350-L354 HydrophobicContact CD1-CD1 3.35Å; I350-L354 HydrophobicContact CD1-CG 4.38Å; I350-L354 HydrophobicContact CG2-CB 4.23Å; I350-L354 HydrophobicContact CG2-CD1 4.26Å; I350-L354 WeakPolarHBondContact O-CA 3.5Å; I350-L354 VanDerWaalsContact O-CB 3.3Å; I350-L354 WeakPolarHBondContact O-CB 3.44Å; I350-L354 PolarHBondContact O-N 3.25Å; L354-E356 PolarHBondContact O-N 3Å; L354-H357 HydrophobicContact CB-CB 4.49Å; L354-H357 HydrophobicContact CD2-CB 4.1Å; L354-H357 PolarHBondContact O-N 3.39Å; L354-C359 HydrophobicContact CB-CB 4.1Å; L354-L425 HydrophobicContact CD1-CD2 3.51Å; L354-L425 HydrophobicContact CD1-CG 4.17Å; L354-L426 HydrophobicContact CD2-CD2 3.36Å; L354-L426 HydrophobicContact CD2-CG 4.22Å; L354-L426 HydrophobicContact CG-CD2 4.23Å; L354-L429 HydrophobicContact CD2-CD1 3.39Å
355S72.4Confident90Very high87 Ų8743 Ų4361%0.60821%0.213SC*.G310 helixtrans-55-35.5172.449.30000111.8D351 H357D351-S355 PolarHBondContact O-OG 2.97Å; D351-S355 VanDerWaalsContact O-OG 3.06Å; S355-H357 VanDerWaalsContact C-N 3.31Å; S355-H357 PolarHBondContact O-N 2.96Å
356E73.3Confident89.9Confident150 Ų15046.5 Ų46.570%0.70123%0.231SC*.G310 helixtrans-78.2-7.9175.3-58.7-170.5167.600114.5L354 R433L354-E356 PolarHBondContact O-N 3Å; E356-R433 PolarHBondContact O-NH2 3.32Å
357H73.8Confident89.8Confident32 Ų3247.8 Ų47.815%0.14824%0.24CC..G310 helixtrans-100.213.4-171.8-73.1-97.5000114.6Y353 L354 S355 C359 L429 R433Y353-H357 PolarHBondContact O-CD2 3.47Å; L354-H357 HydrophobicContact CB-CB 4.49Å; L354-H357 HydrophobicContact CD2-CB 4.1Å; L354-H357 PolarHBondContact O-N 3.39Å; S355-H357 VanDerWaalsContact C-N 3.31Å; S355-H357 PolarHBondContact O-N 2.96Å; H357-C359 PolarHBondContact O-N 3.45Å; H357-L429 HydrophobicContact CB-CD1 4.16Å; H357-R433 PolarHBondContact CE1-NH1 2.79Å; H357-R433 VanDerWaalsContact CE1-NH1 3.27Å; H357-R433 VanDerWaalsContact ND1-CZ 3.31Å; H357-R433 PolarHBondContact ND1-NH2 2.87Å
358H81.3Confident89.8Confident141 Ų14151.7 Ų51.765%0.65326%0.258SS*.THydrogen-bonded Turntrans53.440.1-174.4-54.5-72.9000112.4S379H358-S379 WeakPolarHBondContact CB-OG 3.49Å; H358-S379 PolarHBondContact O-N 2.85Å
359C88.2Confident89.8Confident19 Ų1953.7 Ų53.713%0.12827%0.269CS..EExtended strand (participates in β ladder)trans-106121.4175.3-179.50000109.2L354 H357 K377 F378L354-C359 HydrophobicContact CB-CB 4.1Å; H357-C359 PolarHBondContact O-N 3.45Å; C359-K377 WeakPolarHBondContact CA-O 3.34Å; C359-F378 HydrophobicContact CB-CD1 4.25Å; C359-F378 HydrophobicContact CB-CE1 4.06Å
360E91.6Very high89.9Confident82 Ų8253.8 Ų53.838%0.38327%0.269SS..EExtended strand (participates in β ladder)trans-108.6128.8-179.3-178.1-165.1167.400109.6I362 K377E360-I362 HydrophobicContact CG-CG2 4.25Å; E360-I362 PolarHBondContact O-N 3.31Å; E360-K377 HydrophobicContact CB-CB 4.36Å; E360-K377 PolarHBondContact N-O 2.9Å; E360-K377 PolarHBondContact O-N 3.45Å; E360-K377 IonicContact OE2-NZ 2.76Å; E360-K377 PolarHBondContact OE2-NZ 3.46Å
361I94.1Very high90Very high24 Ų2453.6 Ų53.612%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-79.2113.9166.9-70.2165.3000108E347 I350 T363 R365 I374 L376E347-I361 HydrophobicContact CG-CD1 4.15Å; I350-I361 HydrophobicContact CB-CD1 4.16Å; I350-I361 HydrophobicContact CG2-CD1 3.66Å; I350-I361 HydrophobicContact CG2-CG1 4.01Å; I361-T363 WeakPolarHBondContact CG2-O 3.42Å; I361-R365 VanDerWaalsContact CD1-NH1 3.34Å; I361-I374 HydrophobicContact CD1-CG2 4.27Å; I361-I374 HydrophobicContact CG1-CG2 3.98Å; I361-I374 HydrophobicContact CG2-CG2 3.98Å; I361-L376 HydrophobicContact CG1-CD2 3.66Å
362I93.7Very high90.3Very high2 Ų250.6 Ų50.61%0.0125%0.252CS..  trans-92.4-3.9177.466.7168.8000113.2Y204 E360 S375 K377 V403Y204-I362 HydrophobicContact CD1-CD1 3.92Å; Y204-I362 HydrophobicContact CE1-CD1 3.46Å; Y204-I362 VanDerWaalsContact CE1-CD1 3.46Å; E360-I362 HydrophobicContact CG-CG2 4.25Å; E360-I362 PolarHBondContact O-N 3.31Å; I362-S375 WeakPolarHBondContact CG1-O 3.36Å; I362-S375 PolarHBondContact N-O 2.92Å; I362-K377 HydrophobicContact CG2-CB 3.62Å; I362-K377 HydrophobicContact CG2-CD 3.72Å; I362-K377 HydrophobicContact CG2-CG 4.36Å; I362-V403 HydrophobicContact CD1-CG1 4.42Å; I362-V403 HydrophobicContact CD1-CG2 4.15Å
363T95.7Very high90.5Very high1 Ų148 Ų481%0.00623%0.233CC..SBendtrans-77.1142.6172.3-58.10000109.9S205 I361 R365 R370 Q373 I374 S375S205-T363 WeakPolarHBondContact O-CA 3.22Å; S205-T363 WeakPolarHBondContact O-CB 3.4Å; S205-T363 WeakPolarHBondContact O-CG2 3.28Å; S205-T363 PolarHBondContact O-OG1 3.49Å; I361-T363 WeakPolarHBondContact CG2-O 3.42Å; T363-R365 PolarHBondContact O-N 2.97Å; T363-R370 HydrophobicContact CG2-CB 3.65Å; T363-R370 HydrophobicContact CG2-CG 4.33Å; T363-Q373 WeakPolarHBondContact CG2-O 3.43Å; T363-I374 HydrophobicContact CG2-CD1 4.12Å; T363-S375 PolarHBondContact OG1-N 3.26Å; T363-S375 PolarHBondContact OG1-OG 3.42Å
364P95Very high91Very high1 Ų144.4 Ų44.41%0.00622%0.219CC..  trans-48.5136.1171.7-3037.5000112.3W176 Q207 E369 R370W176-P364 HydrophobicContact CB-CG 4.41Å; W176-P364 HydrophobicContact CD2-CG 4.19Å; W176-P364 HydrophobicContact CG-CG 4.01Å; Q207-P364 HydrophobicContact CB-CG 3.87Å; Q207-P364 HydrophobicContact CG-CG 4.04Å; P364-E369 HydrophobicContact CB-CB 3.84Å; P364-E369 HydrophobicContact CG-CB 4.43Å; P364-E369 WeakPolarHBondContact CG-O 3.43Å; P364-R370 WeakPolarHBondContact O-CD 3.4Å; P364-R370 PolarHBondContact O-NH1 3.24Å
365R94.2Very high91.7Very high106 Ų10644.4 Ų44.440%0.422%0.219SC..SBendtrans-77.5-29-178.6-62.6-60.1-59.5-132.2-11.4111.9E347 D351 I361 T363 P367E347-R365 VanDerWaalsContact CG-CZ 3.44Å; E347-R365 IonicContact OE1-CZ 3.65Å; E347-R365 IonicContact OE1-NE 2.76Å; E347-R365 PolarHBondContact OE1-NE 3.43Å; E347-R365 VanDerWaalsContact OE1-NE 3.13Å; E347-R365 IonicContact OE1-NH2 2.9Å; E347-R365 PolarHBondContact OE1-NH2 2.85Å; E347-R365 IonicContact OE2-CZ 3.63Å; E347-R365 IonicContact OE2-NE 3.81Å; E347-R365 PolarHBondContact OE2-NE 3.21Å; E347-R365 IonicContact OE2-NH2 3.1Å; D351-R365 IonicContact OD1-CZ 2.73Å; D351-R365 IonicContact OD1-NH1 3.66Å; D351-R365 PolarHBondContact OD1-NH1 3.19Å; D351-R365 IonicContact OD1-NH2 3.99Å; D351-R365 IonicContact OD2-CZ 2.71Å; D351-R365 IonicContact OD2-NH1 3.38Å; D351-R365 IonicContact OD2-NH2 2.89Å; D351-R365 PolarHBondContact OD2-NH2 3.21Å; I361-R365 VanDerWaalsContact CD1-NH1 3.34Å; T363-R365 PolarHBondContact O-N 2.97Å; R365-P367 VanDerWaalsContact O-CD 3.27Å; R365-P367 WeakPolarHBondContact O-CD 3.03Å
366N95.5Very high92.8Very high72 Ų7240.2 Ų40.239%0.38519%0.19SC..SBendtrans-65.1117.7171.6-177.6-2.6000109.3E368 E369N366-E368 PolarHBondContact O-N 3.46Å; N366-E368 VanDerWaalsContact O-N 3.16Å; N366-E368 PolarHBondContact OD1-N 3.11Å; N366-E369 HydrophobicContact CB-CB 4.21Å; N366-E369 HydrophobicContact CB-CG 4.06Å; N366-E369 PolarHBondContact O-N 3.36Å
367P96.7Very high93.8Very high28 Ų2835.3 Ų35.318%0.18217%0.167CC..G310 helixtrans-58.1-27.9179-23.734.6000113.5L12 R336 I340 R365 E369 R370L12-P367 HydrophobicContact CD1-CB 4.24Å; L12-P367 HydrophobicContact CD1-CG 3.57Å; L12-P367 HydrophobicContact CG-CG 4.43Å; R336-P367 PolarHBondContact NH2-O 3.31Å; I340-P367 HydrophobicContact CG1-CB 4.28Å; I340-P367 HydrophobicContact CG2-CB 3.94Å; R365-P367 VanDerWaalsContact O-CD 3.27Å; R365-P367 WeakPolarHBondContact O-CD 3.03Å; P367-E369 VanDerWaalsContact C-N 3.27Å; P367-E369 PolarHBondContact O-N 3.14Å; P367-R370 WeakPolarHBondContact O-CG 3.05Å
368E96Very high94.6Very high111 Ų11134 Ų3452%0.51916%0.16SC..G310 helixtrans-74.5-14.9178.2-61-50.1148.700114.3Y208 R336 I340 N366Y208-E368 WeakPolarHBondContact CD1-O 3.19Å; R336-E368 IonicContact NE-OE2 3.82Å; R336-E368 IonicContact NH2-OE2 3.61Å; R336-E368 PolarHBondContact NH2-OE2 2.93Å; R336-E368 VanDerWaalsContact NH2-OE2 3.17Å; I340-E368 WeakPolarHBondContact CD1-OE1 3.45Å; N366-E368 PolarHBondContact O-N 3.46Å; N366-E368 VanDerWaalsContact O-N 3.16Å; N366-E368 PolarHBondContact OD1-N 3.11Å
369E96.8Very high95Very high73 Ų7331.6 Ų31.634%0.34116%0.16SC..G310 helixtrans-104.217.9-179.6-65.2175.6170.600112.5Q207 Y208 P364 N366 P367Q207-E369 CarbonylContact C-O 3.6Å; Q207-E369 WeakPolarHBondContact CA-O 3.48Å; Y208-E369 PolarHBondContact N-O 3.41Å; P364-E369 HydrophobicContact CB-CB 3.84Å; P364-E369 HydrophobicContact CG-CB 4.43Å; P364-E369 WeakPolarHBondContact CG-O 3.43Å; N366-E369 HydrophobicContact CB-CB 4.21Å; N366-E369 HydrophobicContact CB-CG 4.06Å; N366-E369 PolarHBondContact O-N 3.36Å; P367-E369 VanDerWaalsContact C-N 3.27Å; P367-E369 PolarHBondContact O-N 3.14Å
370R97.8Very high95Very high1 Ų135.6 Ų35.60%0.00417%0.172CC..BIsolated β-bridgetrans-142.7154179.562.1172.1176.1-148.28.5114G206 R336 E347 T363 P364 P367 I374G206-R370 VanDerWaalsContact O-CA 3.28Å; G206-R370 WeakPolarHBondContact O-CA 3.18Å; R336-R370 PolarHBondContact NH1-O 2.99Å; R336-R370 PolarHBondContact NH2-O 3.27Å; E347-R370 IonicContact OE2-CZ 2.85Å; E347-R370 VanDerWaalsContact OE2-CZ 3.25Å; E347-R370 IonicContact OE2-NH1 3.61Å; E347-R370 PolarHBondContact OE2-NH1 3.2Å; E347-R370 IonicContact OE2-NH2 3.97Å; E347-R370 PolarHBondContact OE2-NH2 2.96Å; T363-R370 HydrophobicContact CG2-CB 3.65Å; T363-R370 HydrophobicContact CG2-CG 4.33Å; P364-R370 WeakPolarHBondContact O-CD 3.4Å; P364-R370 PolarHBondContact O-NH1 3.24Å; P367-R370 WeakPolarHBondContact O-CG 3.05Å; R370-I374 VanDerWaalsContact NH1-CD1 3.32Å
371G98.3Very high95Very high0 Ų035.4 Ų35.40%017%0.174CC..  trans-79.4-166.6164.500000112.7G206 Q373G206-G371 PolarHBondContact O-N 3.12Å; G371-Q373 PolarHBondContact O-N 3.39Å
372C98.1Very high95Very high0 Ų034.2 Ų34.20%017%0.168CC..SBendtrans-7620.4177.9700000115.3N235 Y255 S339 T343 P408N235-C372 PolarHBondContact OD1-N 3.42Å; N235-C372 PolarHBondContact OD1-SG 3.11Å; Y255-C372 WeakPolarHBondContact CE1-SG 3.3Å; S339-C372 WeakPolarHBondContact OG-CA 3.35Å; S339-C372 WeakPolarHBondContact OG-CB 3.19Å; T343-C372 HydrophobicContact CG2-CB 4.4Å; C372-P408 VanDerWaalsContact O-CD 3.26Å; C372-P408 WeakPolarHBondContact O-CD 3.42Å
373Q97.9Very high95.1Very high2 Ų241.2 Ų41.21%0.00919%0.194CC..  trans-112.3133.2-178.7179.8-174.8-76.900110.4N77 Y203 T363 G371 S375 R405 V406 T407N77-Q373 PolarHBondContact ND2-OE1 3.31Å; Y203-Q373 PolarHBondContact O-NE2 3.27Å; Y203-Q373 PolarHBondContact O-OE1 3.07Å; T363-Q373 WeakPolarHBondContact CG2-O 3.43Å; G371-Q373 PolarHBondContact O-N 3.39Å; Q373-S375 PolarHBondContact NE2-OG 2.87Å; Q373-R405 HydrophobicContact CG-CB 4.15Å; Q373-V406 CarbonylContact C-O 3.39Å; Q373-V406 WeakPolarHBondContact CA-O 3.48Å; Q373-T407 HydrophobicContact CB-CG2 4.34Å
374I98.1Very high94.9Very high0 Ų043.6 Ų43.60%021%0.211CC..EExtended strand (participates in β ladder)trans-113123.8165.5-58.9-61.4000108.8T343 L346 I361 T363 R370 L376 V406T343-I374 HydrophobicContact CG2-CG1 4.26Å; L346-I374 HydrophobicContact CD2-CB 3.8Å; L346-I374 HydrophobicContact CD2-CG1 3.83Å; L346-I374 HydrophobicContact CG-CB 4.47Å; L346-I374 HydrophobicContact CG-CG1 4.33Å; I361-I374 HydrophobicContact CD1-CG2 4.27Å; I361-I374 HydrophobicContact CG1-CG2 3.98Å; I361-I374 HydrophobicContact CG2-CG2 3.98Å; T363-I374 HydrophobicContact CG2-CD1 4.12Å; R370-I374 VanDerWaalsContact NH1-CD1 3.32Å; I374-L376 HydrophobicContact CG2-CD2 3.83Å; I374-V406 PolarHBondContact N-O 3.41Å; I374-V406 PolarHBondContact O-N 3.24Å
375S96.8Very high94.8Very high0 Ų043.6 Ų43.60%021%0.21CC..EExtended strand (participates in β ladder)trans-103.3116.6-177.4-49.50000109.6Y204 I362 T363 Q373Y204-S375 WeakPolarHBondContact O-CB 3.46Å; Y204-S375 PolarHBondContact O-OG 3.46Å; I362-S375 WeakPolarHBondContact CG1-O 3.36Å; I362-S375 PolarHBondContact N-O 2.92Å; T363-S375 PolarHBondContact OG1-N 3.26Å; T363-S375 PolarHBondContact OG1-OG 3.42Å; Q373-S375 PolarHBondContact NE2-OG 2.87Å
376L95.7Very high94.8Very high0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans-101116-176-57.1-178.7000109.3I350 I361 I374 F378 V403 I404 V406 F421 L425I350-L376 HydrophobicContact CD1-CD1 3.75Å; I350-L376 HydrophobicContact CD1-CD2 4.2Å; I350-L376 HydrophobicContact CG1-CD2 4.32Å; I350-L376 HydrophobicContact CG2-CD2 4.06Å; I361-L376 HydrophobicContact CG1-CD2 3.66Å; I374-L376 HydrophobicContact CG2-CD2 3.83Å; L376-F378 HydrophobicContact CB-CE2 3.68Å; L376-F378 HydrophobicContact CB-CZ 4.07Å; L376-F378 HydrophobicContact CD1-CZ 4.42Å; L376-F378 WeakPolarHBondContact O-CD2 3.47Å; L376-V403 CarbonylContact O-C 3.48Å; L376-V403 VanDerWaalsContact O-CA 3.29Å; L376-V403 WeakPolarHBondContact O-CA 3.09Å; L376-I404 PolarHBondContact N-O 3Å; L376-I404 PolarHBondContact O-N 2.88Å; L376-V406 HydrophobicContact CD1-CG2 3.9Å; L376-V406 HydrophobicContact CG-CG2 4.26Å; L376-F421 HydrophobicContact CD1-CE1 4.32Å; L376-F421 HydrophobicContact CD1-CZ 4.25Å; L376-L425 HydrophobicContact CD1-CD2 3.95Å
377K93.7Very high94.8Very high46 Ų4639.5 Ų39.520%0.219%0.194CC..EExtended strand (participates in β ladder)trans-100.8126.1176.8179.6178.5156.2-1410109.9C359 E360 I362 N402 V403C359-K377 WeakPolarHBondContact CA-O 3.34Å; E360-K377 HydrophobicContact CB-CB 4.36Å; E360-K377 PolarHBondContact N-O 2.9Å; E360-K377 PolarHBondContact O-N 3.45Å; E360-K377 IonicContact OE2-NZ 2.76Å; E360-K377 PolarHBondContact OE2-NZ 3.46Å; I362-K377 HydrophobicContact CG2-CB 3.62Å; I362-K377 HydrophobicContact CG2-CD 3.72Å; I362-K377 HydrophobicContact CG2-CG 4.36Å; K377-N402 WeakPolarHBondContact CA-O 3.43Å; K377-V403 HydrophobicContact CB-CG2 3.83Å; K377-V403 HydrophobicContact CG-CG2 4.02Å
378F92.4Very high94.8Very high4 Ų440.7 Ų40.72%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-104.1152.8-179.3-63.1-96000110.2C359 L376 R380 V382 L385 N402 I404 L425 L429C359-F378 HydrophobicContact CB-CD1 4.25Å; C359-F378 HydrophobicContact CB-CE1 4.06Å; L376-F378 HydrophobicContact CB-CE2 3.68Å; L376-F378 HydrophobicContact CB-CZ 4.07Å; L376-F378 HydrophobicContact CD1-CZ 4.42Å; L376-F378 WeakPolarHBondContact O-CD2 3.47Å; F378-R380 HydrophobicContact CB-CG 4.15Å; F378-R380 PolarHBondContact O-N 2.78Å; F378-V382 HydrophobicContact CB-CG1 3.82Å; F378-V382 HydrophobicContact CD2-CG1 3.35Å; F378-V382 HydrophobicContact CE2-CG1 4.15Å; F378-V382 HydrophobicContact CG-CG1 3.77Å; F378-L385 HydrophobicContact CD1-CD2 3.96Å; F378-L385 HydrophobicContact CD2-CD2 4.15Å; F378-L385 HydrophobicContact CE1-CD2 3.67Å; F378-L385 HydrophobicContact CE2-CD2 3.87Å; F378-L385 HydrophobicContact CG-CD2 4.19Å; F378-L385 HydrophobicContact CZ-CD2 3.62Å; F378-N402 PolarHBondContact N-O 3.2Å; F378-N402 WeakPolarHBondContact O-CB 3.37Å; F378-N402 PolarHBondContact O-ND2 2.83Å; F378-I404 HydrophobicContact CE2-CB 4.22Å; F378-I404 HydrophobicContact CE2-CD1 3.98Å; F378-I404 HydrophobicContact CE2-CG1 3.99Å; F378-I404 HydrophobicContact CZ-CD1 4.48Å; F378-L425 HydrophobicContact CE1-CD1 4.47Å; F378-L425 HydrophobicContact CZ-CD1 4.19Å; F378-L425 HydrophobicContact CZ-CD2 4.25Å; F378-L429 HydrophobicContact CD1-CD2 4.44Å; F378-L429 HydrophobicContact CE1-CD1 4.29Å; F378-L429 HydrophobicContact CE1-CD2 4.2Å
379S89.5Confident94.8Very high91 Ų9135.4 Ų35.464%0.63617%0.172SC*.SBendtrans-71.7-5.6170.560.90000113.8H358H358-S379 WeakPolarHBondContact CB-OG 3.49Å; H358-S379 PolarHBondContact O-N 2.85Å
380R88.5Confident94.7Very high103 Ų10335.5 Ų35.539%0.38917%0.172SC..SBendtrans-121.1165.7-177.255.8172.441.6-176.5-11.2112.5F378 V382 N402 L432F378-R380 HydrophobicContact CB-CG 4.15Å; F378-R380 PolarHBondContact O-N 2.78Å; R380-V382 PolarHBondContact O-N 3.43Å; R380-N402 WeakPolarHBondContact O-CB 3.49Å; R380-L432 VanDerWaalsContact NH1-CB 3.31Å; R380-L432 PolarHBondContact NH1-O 3.46Å
381N91.5Very high94.7Very high78 Ų7839.8 Ų39.842%0.41719%0.19SC..  trans-64.2126.2169.5-167.9-64000110R383 P401N381-R383 VanDerWaalsContact C-N 3.32Å; N381-R383 PolarHBondContact O-N 3.45Å; N381-R383 WeakPolarHBondContact OD1-CB 3.37Å; N381-R383 PolarHBondContact OD1-N 3Å; N381-P401 CarbonylContact C-O 3.53Å; N381-P401 VanDerWaalsContact CA-O 3.23Å; N381-P401 WeakPolarHBondContact CA-O 3.41Å
382V93.9Very high94.6Very high0 Ų042.2 Ų42.20%020%0.199CC..SBendtrans-86.61.3-175.7-66.20000113.6F378 R380 L385 N386 V398 L400 P401 N402 I404F378-V382 HydrophobicContact CB-CG1 3.82Å; F378-V382 HydrophobicContact CD2-CG1 3.35Å; F378-V382 HydrophobicContact CE2-CG1 4.15Å; F378-V382 HydrophobicContact CG-CG1 3.77Å; R380-V382 PolarHBondContact O-N 3.43Å; V382-L385 HydrophobicContact CB-CB 4.5Å; V382-L385 HydrophobicContact CB-CD2 4.47Å; V382-L385 HydrophobicContact CG1-CD2 4.15Å; V382-L385 WeakPolarHBondContact O-CB 3.49Å; V382-L385 PolarHBondContact O-N 3.44Å; V382-N386 VanDerWaalsContact O-CB 3.29Å; V382-N386 WeakPolarHBondContact O-CB 3.35Å; V382-N386 PolarHBondContact O-N 2.75Å; V382-V398 HydrophobicContact CG2-CG1 3.5Å; V382-L400 HydrophobicContact CG2-CD2 4.43Å; V382-P401 WeakPolarHBondContact CG2-O 3.36Å; V382-P401 PolarHBondContact N-O 2.67Å; V382-N402 WeakPolarHBondContact CG1-O 3.42Å; V382-I404 HydrophobicContact CB-CD1 4.21Å; V382-I404 HydrophobicContact CB-CG1 3.99Å; V382-I404 HydrophobicContact CG1-CD1 4.37Å; V382-I404 HydrophobicContact CG1-CG1 4.08Å; V382-I404 HydrophobicContact CG2-CG1 4.24Å
383R94.3Very high94.5Very high149 Ų14942.2 Ų42.256%0.56220%0.2SC*.Hα-helixtrans-57.8-52.8178.3-176.2-178.3-68-93.74.9111.3N381 L385 N386 E387 L400N381-R383 VanDerWaalsContact C-N 3.32Å; N381-R383 PolarHBondContact O-N 3.45Å; N381-R383 WeakPolarHBondContact OD1-CB 3.37Å; N381-R383 PolarHBondContact OD1-N 3Å; R383-L385 VanDerWaalsContact C-N 3.34Å; R383-L385 PolarHBondContact O-N 2.9Å; R383-N386 PolarHBondContact O-N 3.49Å; R383-E387 WeakPolarHBondContact O-CG 3.44Å; R383-E387 PolarHBondContact O-N 3.21Å; R383-L400 HydrophobicContact CB-CD2 4.24Å; R383-L400 VanDerWaalsContact NH2-CD1 3.27Å
384S92.8Very high94.5Very high51 Ų5142.2 Ų42.236%0.35720%0.2SC..Hα-helixtrans-65.6-39-179.862.30000112N386 E387 H388S384-N386 VanDerWaalsContact C-N 3.34Å; S384-N386 PolarHBondContact O-N 3.46Å; S384-E387 PolarHBondContact O-N 2.91Å; S384-H388 PolarHBondContact O-N 2.69Å; S384-H388 VanDerWaalsContact O-N 3.17Å; S384-H388 PolarHBondContact O-ND1 3.06Å
385L92.9Very high94.5Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-55.9-49.6174.1-178.161.7000110.7F378 V382 R383 H388 L389 I404 L425 V428 L429 L432F378-L385 HydrophobicContact CD1-CD2 3.96Å; F378-L385 HydrophobicContact CD2-CD2 4.15Å; F378-L385 HydrophobicContact CE1-CD2 3.67Å; F378-L385 HydrophobicContact CE2-CD2 3.87Å; F378-L385 HydrophobicContact CG-CD2 4.19Å; F378-L385 HydrophobicContact CZ-CD2 3.62Å; V382-L385 HydrophobicContact CB-CB 4.5Å; V382-L385 HydrophobicContact CB-CD2 4.47Å; V382-L385 HydrophobicContact CG1-CD2 4.15Å; V382-L385 WeakPolarHBondContact O-CB 3.49Å; V382-L385 PolarHBondContact O-N 3.44Å; R383-L385 VanDerWaalsContact C-N 3.34Å; R383-L385 PolarHBondContact O-N 2.9Å; L385-H388 PolarHBondContact O-N 3.09Å; L385-L389 HydrophobicContact CG-CD1 4.46Å; L385-L389 WeakPolarHBondContact O-CG 3.3Å; L385-L389 PolarHBondContact O-N 2.9Å; L385-I404 HydrophobicContact CD2-CD1 3.58Å; L385-I404 HydrophobicContact CG-CD1 3.96Å; L385-L425 HydrophobicContact CD1-CD1 3.67Å; L385-L425 HydrophobicContact CD2-CD1 4.04Å; L385-L425 HydrophobicContact CG-CD1 4.15Å; L385-V428 HydrophobicContact CD1-CB 4.05Å; L385-V428 HydrophobicContact CD1-CG1 3.41Å; L385-V428 VanDerWaalsContact CD1-CG1 3.41Å; L385-L429 HydrophobicContact CD1-CD2 3.88Å; L385-L429 HydrophobicContact CD1-CG 4.14Å; L385-L429 HydrophobicContact CD2-CD2 4.41Å; L385-L432 HydrophobicContact CB-CD1 4.31Å; L385-L432 HydrophobicContact CD1-CD1 4.24Å
386N94.5Very high94.5Very high15 Ų1544.5 Ų44.58%0.0821%0.214CC..Hα-helixtrans-63-43178.3-178.563.8000113.5V382 R383 S384 H388 L389 K390 V398V382-N386 VanDerWaalsContact O-CB 3.29Å; V382-N386 WeakPolarHBondContact O-CB 3.35Å; V382-N386 PolarHBondContact O-N 2.75Å; R383-N386 PolarHBondContact O-N 3.49Å; S384-N386 VanDerWaalsContact C-N 3.34Å; S384-N386 PolarHBondContact O-N 3.46Å; N386-H388 PolarHBondContact O-N 2.84Å; N386-L389 PolarHBondContact O-N 3.14Å; N386-L389 VanDerWaalsContact O-N 3.15Å; N386-K390 VanDerWaalsContact ND2-CE 3.27Å; N386-K390 WeakPolarHBondContact ND2-CE 3.34Å; N386-K390 WeakPolarHBondContact O-CG 3.48Å; N386-K390 PolarHBondContact O-N 3.38Å; N386-V398 HydrophobicContact CB-CG2 3.77Å; N386-V398 WeakPolarHBondContact OD1-CG2 3.23Å
387E95Very high94.5Very high77 Ų7745.1 Ų45.136%0.3622%0.218SC..Hα-helixtrans-61.2-35.5177.5-66.7-50.1124.300111.8R383 S384 K390 K391R383-E387 WeakPolarHBondContact O-CG 3.44Å; R383-E387 PolarHBondContact O-N 3.21Å; S384-E387 PolarHBondContact O-N 2.91Å; E387-K390 IonicContact OE1-NZ 2.71Å; E387-K390 PolarHBondContact OE1-NZ 2.93Å; E387-K390 IonicContact OE2-NZ 3.88Å; E387-K391 WeakPolarHBondContact O-CG 3.34Å; E387-K391 PolarHBondContact O-N 3.29Å; E387-K391 VanDerWaalsContact O-N 3.13Å
388H95.4Very high94.6Very high53 Ų5344.8 Ų44.825%0.24522%0.219CC..Hα-helixtrans-75.5-28.2175.2-71.989.9000114S384 L385 N386 R392 V428S384-H388 PolarHBondContact O-N 2.69Å; S384-H388 VanDerWaalsContact O-N 3.17Å; S384-H388 PolarHBondContact O-ND1 3.06Å; L385-H388 PolarHBondContact O-N 3.09Å; N386-H388 PolarHBondContact O-N 2.84Å; H388-R392 PolarHBondContact O-NH1 3.25Å; H388-V428 HydrophobicContact CB-CB 4.23Å; H388-V428 HydrophobicContact CB-CG1 3.41Å; H388-V428 VanDerWaalsContact CB-CG1 3.41Å; H388-V428 HydrophobicContact CB-CG2 3.69Å
389L96.1Very high94.6Very high0 Ų048.5 Ų48.50%023%0.233CC..Hα-helixtrans-69-45.4170.4-71.1173.9000110.8L385 N386 K391 R392 G393 I394 I404 L425 V428L385-L389 HydrophobicContact CG-CD1 4.46Å; L385-L389 WeakPolarHBondContact O-CG 3.3Å; L385-L389 PolarHBondContact O-N 2.9Å; N386-L389 PolarHBondContact O-N 3.14Å; N386-L389 VanDerWaalsContact O-N 3.15Å; L389-K391 VanDerWaalsContact C-N 3.31Å; L389-K391 PolarHBondContact O-N 3.03Å; L389-R392 WeakPolarHBondContact O-CA 3.5Å; L389-R392 WeakPolarHBondContact O-CB 3.39Å; L389-R392 PolarHBondContact O-N 3.09Å; L389-G393 PolarHBondContact O-N 3.08Å; L389-I394 HydrophobicContact CB-CB 4.13Å; L389-I394 HydrophobicContact CB-CG2 4.27Å; L389-I394 HydrophobicContact CD2-CB 4.43Å; L389-I394 HydrophobicContact CD2-CD1 3.8Å; L389-I394 HydrophobicContact CD2-CG2 4.28Å; L389-I394 PolarHBondContact O-N 3.33Å; L389-I394 VanDerWaalsContact O-N 3.12Å; L389-I404 HydrophobicContact CD1-CD1 4.05Å; L389-L425 HydrophobicContact CD1-CD1 4.44Å; L389-L425 HydrophobicContact CD2-CB 4.47Å; L389-V428 HydrophobicContact CD2-CG2 4.24Å
390K96.3Very high94.7Very high75 Ų7548.5 Ų48.533%0.32623%0.225SC..Hα-helixtrans-56.7-42.3174.9-77.1176.8174.1170.30112.7V60 N386 E387 R392 G393V60-K390 WeakPolarHBondContact CG2-O 3.38Å; N386-K390 VanDerWaalsContact ND2-CE 3.27Å; N386-K390 WeakPolarHBondContact ND2-CE 3.34Å; N386-K390 WeakPolarHBondContact O-CG 3.48Å; N386-K390 PolarHBondContact O-N 3.38Å; E387-K390 IonicContact OE1-NZ 2.71Å; E387-K390 PolarHBondContact OE1-NZ 2.93Å; E387-K390 IonicContact OE2-NZ 3.88Å; K390-R392 PolarHBondContact O-N 3.26Å; K390-G393 PolarHBondContact O-N 3.32Å
391K96.7Very high95Very high91 Ų9147.1 Ų47.140%0.39623%0.23SC..THydrogen-bonded Turntrans-54.2-25.1174.6-76.3178-177.8-172.90113.8G59 D61 E387 L389G59-K391 VanDerWaalsContact O-CA 3.32Å; G59-K391 WeakPolarHBondContact O-CA 3.38Å; G59-K391 PolarHBondContact O-N 2.86Å; D61-K391 HydrophobicContact CB-CB 4.03Å; D61-K391 HydrophobicContact CB-CG 4.21Å; D61-K391 PolarHBondContact N-O 3.15Å; E387-K391 WeakPolarHBondContact O-CG 3.34Å; E387-K391 PolarHBondContact O-N 3.29Å; E387-K391 VanDerWaalsContact O-N 3.13Å; L389-K391 VanDerWaalsContact C-N 3.31Å; L389-K391 PolarHBondContact O-N 3.03Å
392R96.2Very high95.1Very high51 Ų5145.1 Ų45.119%0.19222%0.219CC..THydrogen-bonded Turntrans-99.17.2178.1-65.4170.217174.6-8.5113.4H388 L389 K390 I394H388-R392 PolarHBondContact O-NH1 3.25Å; L389-R392 WeakPolarHBondContact O-CA 3.5Å; L389-R392 WeakPolarHBondContact O-CB 3.39Å; L389-R392 PolarHBondContact O-N 3.09Å; K390-R392 PolarHBondContact O-N 3.26Å; R392-I394 VanDerWaalsContact C-N 3.31Å; R392-I394 HydrophobicContact CB-CD1 4.34Å; R392-I394 HydrophobicContact CB-CG1 4.45Å; R392-I394 PolarHBondContact O-N 3.37Å
393G97.1Very high95.1Very high1 Ų145.1 Ų45.11%0.0122%0.219CC..THydrogen-bonded Turntrans68.526.1-175.800000114.7M54 A71 I72 L389 K390M54-G393 VanDerWaalsContact SD-CA 3.56Å; A71-G393 WeakPolarHBondContact CA-O 3.38Å; A71-G393 WeakPolarHBondContact CB-O 3.4Å; I72-G393 PolarHBondContact N-O 3.22Å; L389-G393 PolarHBondContact O-N 3.08Å; K390-G393 PolarHBondContact O-N 3.32Å
394I97.8Very high95.2Very high2 Ų238 Ų381%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-91.5118.3172.6-65.2168.3000108.5I72 L389 R392 F421I72-I394 HydrophobicContact CB-CG1 4.13Å; I72-I394 HydrophobicContact CD1-CD1 4.33Å; I72-I394 HydrophobicContact CD1-CG1 3.75Å; L389-I394 HydrophobicContact CB-CB 4.13Å; L389-I394 HydrophobicContact CB-CG2 4.27Å; L389-I394 HydrophobicContact CD2-CB 4.43Å; L389-I394 HydrophobicContact CD2-CD1 3.8Å; L389-I394 HydrophobicContact CD2-CG2 4.28Å; L389-I394 PolarHBondContact O-N 3.33Å; L389-I394 VanDerWaalsContact O-N 3.12Å; R392-I394 VanDerWaalsContact C-N 3.31Å; R392-I394 HydrophobicContact CB-CD1 4.34Å; R392-I394 HydrophobicContact CB-CG1 4.45Å; R392-I394 PolarHBondContact O-N 3.37Å; I394-F421 HydrophobicContact CG2-CD2 3.66Å; I394-F421 HydrophobicContact CG2-CE2 4.16Å
395V97.7Very high95.4Very high36 Ų3635.7 Ų35.722%0.21818%0.176CC..EExtended strand (participates in β ladder)trans-109.9107.7-176.9-171.60000109.8L57 A71 I72 Y73 L74 C75L57-V395 HydrophobicContact CD1-CG2 3.93Å; A71-V395 HydrophobicContact CB-CG2 4.46Å; I72-V395 PolarHBondContact O-N 3.09Å; Y73-V395 HydrophobicContact CD2-CB 3.98Å; Y73-V395 HydrophobicContact CD2-CG1 4.06Å; Y73-V395 HydrophobicContact CD2-CG2 4.3Å; Y73-V395 HydrophobicContact CE2-CB 4.41Å; Y73-V395 HydrophobicContact CE2-CG1 3.97Å; L74-V395 CarbonylContact C-O 3.55Å; L74-V395 WeakPolarHBondContact CA-O 3.35Å; L74-V395 PolarHBondContact N-O 2.87Å; C75-V395 HydrophobicContact CB-CG1 3.89Å; C75-V395 PolarHBondContact N-O 3.37Å
396C96.6Very high95.7Very high12 Ų1235.7 Ų35.78%0.08118%0.176CC..EExtended strand (participates in β ladder)trans-127.7161.5175.3-620000110.5I404C396-I404 HydrophobicContact CB-CG2 3.71Å
397D95.6Very high95.9Very high13 Ų1335 Ų357%0.0717%0.172CC..EExtended strand (participates in β ladder)trans-85.2133.2173.4172.9108.4000110.9R399 I404 R405D397-R399 IonicContact OD1-CZ 3.98Å; D397-R399 IonicContact OD1-NE 3.63Å; D397-R399 PolarHBondContact OD1-NE 2.8Å; D397-R399 IonicContact OD1-NH2 3.98Å; D397-R399 PolarHBondContact OD1-NH2 2.7Å; D397-R399 WeakPolarHBondContact OD2-CG 3.4Å; D397-R399 IonicContact OD2-CZ 2.7Å; D397-R399 IonicContact OD2-NE 3.42Å; D397-R399 PolarHBondContact OD2-NE 3.34Å; D397-R399 IonicContact OD2-NH2 3.73Å; D397-I404 CarbonylContact O-C 3.56Å; D397-I404 WeakPolarHBondContact O-CA 3.08Å; D397-R405 HydrophobicContact CB-CB 4.26Å; D397-R405 PolarHBondContact N-O 3.21Å; D397-R405 PolarHBondContact O-N 3.25Å; D397-R405 IonicContact OD1-CZ 3.66Å; D397-R405 IonicContact OD1-NE 3.53Å; D397-R405 IonicContact OD1-NH2 3.21Å; D397-R405 PolarHBondContact OD1-NH2 3.25Å; D397-R405 IonicContact OD2-CZ 3.64Å; D397-R405 IonicContact OD2-NE 2.85Å; D397-R405 PolarHBondContact OD2-NE 3.09Å; D397-R405 IonicContact OD2-NH2 3.5Å; D397-R405 PolarHBondContact OD2-NH2 3.49Å
398V95Very high96.1Very high38 Ų3831.3 Ų31.323%0.2316%0.155CC..EExtended strand (participates in β ladder)trans-114.6130.7-178.5179.10000111.3V382 N386 L400 I404V382-V398 HydrophobicContact CG2-CG1 3.5Å; N386-V398 HydrophobicContact CB-CG2 3.77Å; N386-V398 WeakPolarHBondContact OD1-CG2 3.23Å; V398-L400 HydrophobicContact CG1-CD2 4.3Å; V398-I404 HydrophobicContact CG2-CG1 4.32Å
399R93.5Very high96.2Very high83 Ų8328.8 Ų28.831%0.31314%0.143SC..EExtended strand (participates in β ladder)trans-117.299.9175.8-59.3-60.8167.3172.2-8.8109.3Y204 D397 N402 V403 R405Y204-R399 HydrophobicContact CD2-CB 4.37Å; Y204-R399 HydrophobicContact CD2-CG 4.27Å; Y204-R399 HydrophobicContact CE2-CB 3.88Å; Y204-R399 HydrophobicContact CE2-CG 4.28Å; D397-R399 IonicContact OD1-CZ 3.98Å; D397-R399 IonicContact OD1-NE 3.63Å; D397-R399 PolarHBondContact OD1-NE 2.8Å; D397-R399 IonicContact OD1-NH2 3.98Å; D397-R399 PolarHBondContact OD1-NH2 2.7Å; D397-R399 WeakPolarHBondContact OD2-CG 3.4Å; D397-R399 IonicContact OD2-CZ 2.7Å; D397-R399 IonicContact OD2-NE 3.42Å; D397-R399 PolarHBondContact OD2-NE 3.34Å; D397-R399 IonicContact OD2-NH2 3.73Å; R399-N402 PolarHBondContact O-N 2.88Å; R399-V403 HydrophobicContact CB-CB 4.12Å; R399-V403 HydrophobicContact CB-CG1 4.38Å; R399-V403 PolarHBondContact N-O 3.07Å; R399-V403 PolarHBondContact O-N 3.06Å; R399-R405 HydrophobicContact CG-CG 4.3Å
400L91.9Very high96.3Very high90 Ų9028.8 Ų28.847%0.47114%0.143SC..THydrogen-bonded Turntrans-60.9148.4177.8-68.5179.3000111.3V382 R383 V398V382-L400 HydrophobicContact CG2-CD2 4.43Å; R383-L400 HydrophobicContact CB-CD2 4.24Å; R383-L400 VanDerWaalsContact NH2-CD1 3.27Å; V398-L400 HydrophobicContact CG1-CD2 4.3Å
401P93Very high96.4Very high75 Ų7525.2 Ų25.249%0.48713%0.128SC..THydrogen-bonded Turncis-80.3-21.62.830.6-34000114.8N381 V382N381-P401 CarbonylContact C-O 3.53Å; N381-P401 VanDerWaalsContact CA-O 3.23Å; N381-P401 WeakPolarHBondContact CA-O 3.41Å; V382-P401 WeakPolarHBondContact CG2-O 3.36Å; V382-P401 PolarHBondContact N-O 2.67Å
402N93.7Very high96.5Very high35 Ų3521 Ų2119%0.18711%0.109CC..THydrogen-bonded Turntrans-14311.6-153.566.3-19.7000116.9K377 F378 R380 V382 R399K377-N402 WeakPolarHBondContact CA-O 3.43Å; F378-N402 PolarHBondContact N-O 3.2Å; F378-N402 WeakPolarHBondContact O-CB 3.37Å; F378-N402 PolarHBondContact O-ND2 2.83Å; R380-N402 WeakPolarHBondContact O-CB 3.49Å; V382-N402 WeakPolarHBondContact CG1-O 3.42Å; R399-N402 PolarHBondContact O-N 2.88Å
403V94.9Very high96.7Very high0 Ų018.6 Ų18.60%010%0.1CC..EExtended strand (participates in β ladder)trans-116.3137.2179.6170.20000112Y204 I362 L376 K377 R399 R405Y204-V403 HydrophobicContact CE2-CB 4.19Å; Y204-V403 HydrophobicContact CE2-CG1 4.22Å; Y204-V403 HydrophobicContact CE2-CG2 4.26Å; Y204-V403 WeakPolarHBondContact OH-CG2 3.04Å; I362-V403 HydrophobicContact CD1-CG1 4.42Å; I362-V403 HydrophobicContact CD1-CG2 4.15Å; L376-V403 CarbonylContact O-C 3.48Å; L376-V403 VanDerWaalsContact O-CA 3.29Å; L376-V403 WeakPolarHBondContact O-CA 3.09Å; K377-V403 HydrophobicContact CB-CG2 3.83Å; K377-V403 HydrophobicContact CG-CG2 4.02Å; R399-V403 HydrophobicContact CB-CB 4.12Å; R399-V403 HydrophobicContact CB-CG1 4.38Å; R399-V403 PolarHBondContact N-O 3.07Å; R399-V403 PolarHBondContact O-N 3.06Å; V403-R405 HydrophobicContact CG1-CG 4.1Å
404I96.9Very high96.7Very high1 Ų119.3 Ų19.31%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-114.2124165.7-57.8-176.8000107.7L376 F378 V382 L385 L389 C396 D397 V398 V406L376-I404 PolarHBondContact N-O 3Å; L376-I404 PolarHBondContact O-N 2.88Å; F378-I404 HydrophobicContact CE2-CB 4.22Å; F378-I404 HydrophobicContact CE2-CD1 3.98Å; F378-I404 HydrophobicContact CE2-CG1 3.99Å; F378-I404 HydrophobicContact CZ-CD1 4.48Å; V382-I404 HydrophobicContact CB-CD1 4.21Å; V382-I404 HydrophobicContact CB-CG1 3.99Å; V382-I404 HydrophobicContact CG1-CD1 4.37Å; V382-I404 HydrophobicContact CG1-CG1 4.08Å; V382-I404 HydrophobicContact CG2-CG1 4.24Å; L385-I404 HydrophobicContact CD2-CD1 3.58Å; L385-I404 HydrophobicContact CG-CD1 3.96Å; L389-I404 HydrophobicContact CD1-CD1 4.05Å; C396-I404 HydrophobicContact CB-CG2 3.71Å; D397-I404 CarbonylContact O-C 3.56Å; D397-I404 WeakPolarHBondContact O-CA 3.08Å; V398-I404 HydrophobicContact CG2-CG1 4.32Å; I404-V406 HydrophobicContact CG2-CG2 4.04Å
405R97.4Very high96.8Very high2 Ų219.2 Ų19.21%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-96.3110.6175-60.4-172-56.3151.98108.8N77 Y203 Q373 D397 R399 V403N77-R405 WeakPolarHBondContact ND2-CB 3.46Å; N77-R405 PolarHBondContact ND2-NE 3.35Å; N77-R405 PolarHBondContact ND2-NH2 2.56Å; Y203-R405 VanDerWaalsContact O-CD 3.27Å; Y203-R405 WeakPolarHBondContact O-CD 3.11Å; Y203-R405 PolarHBondContact O-NH1 3.29Å; Q373-R405 HydrophobicContact CG-CB 4.15Å; D397-R405 HydrophobicContact CB-CB 4.26Å; D397-R405 PolarHBondContact N-O 3.21Å; D397-R405 PolarHBondContact O-N 3.25Å; D397-R405 IonicContact OD1-CZ 3.66Å; D397-R405 IonicContact OD1-NE 3.53Å; D397-R405 IonicContact OD1-NH2 3.21Å; D397-R405 PolarHBondContact OD1-NH2 3.25Å; D397-R405 IonicContact OD2-CZ 3.64Å; D397-R405 IonicContact OD2-NE 2.85Å; D397-R405 PolarHBondContact OD2-NE 3.09Å; D397-R405 IonicContact OD2-NH2 3.5Å; D397-R405 PolarHBondContact OD2-NH2 3.49Å; R399-R405 HydrophobicContact CG-CG 4.3Å; V403-R405 HydrophobicContact CG1-CG 4.1Å
406V98.5Very high96.8Very high0 Ų019.5 Ų19.50%011%0.106CC..EExtended strand (participates in β ladder)trans-100.5122-178-170.90000108.3L74 L346 Q373 I374 L376 I404 F421L74-V406 HydrophobicContact CB-CG1 4.15Å; L74-V406 HydrophobicContact CD1-CG1 3.72Å; L74-V406 HydrophobicContact CG-CG1 4.44Å; L346-V406 HydrophobicContact CD2-CB 4.07Å; L346-V406 HydrophobicContact CD2-CG1 3.76Å; Q373-V406 CarbonylContact C-O 3.39Å; Q373-V406 WeakPolarHBondContact CA-O 3.48Å; I374-V406 PolarHBondContact N-O 3.41Å; I374-V406 PolarHBondContact O-N 3.24Å; L376-V406 HydrophobicContact CD1-CG2 3.9Å; L376-V406 HydrophobicContact CG-CG2 4.26Å; I404-V406 HydrophobicContact CG2-CG2 4.04Å; V406-F421 HydrophobicContact CB-CE1 4.3Å; V406-F421 HydrophobicContact CB-CZ 4.28Å; V406-F421 HydrophobicContact CG1-CD1 3.92Å; V406-F421 HydrophobicContact CG1-CD2 4.5Å; V406-F421 HydrophobicContact CG1-CE1 3.69Å; V406-F421 HydrophobicContact CG1-CE2 4.31Å; V406-F421 HydrophobicContact CG1-CG 4.33Å; V406-F421 HydrophobicContact CG1-CZ 3.91Å; V406-F421 HydrophobicContact CG2-CE1 3.7Å; V406-F421 HydrophobicContact CG2-CE2 4.07Å; V406-F421 HydrophobicContact CG2-CZ 3.33Å
407T98.4Very high96.9Very high0 Ų019.4 Ų19.40%011%0.105CC..BIsolated β-bridgetrans-127.683.9-170.6-47.30000111.4L74 N77 Y255 Q373 V409L74-T407 CarbonylContact C-O 3.42Å; L74-T407 WeakPolarHBondContact O-CB 3.38Å; L74-T407 PolarHBondContact O-N 2.97Å; N77-T407 HydrophobicContact CB-CG2 4.08Å; N77-T407 PolarHBondContact ND2-OG1 3.26Å; N77-T407 PolarHBondContact OD1-OG1 2.98Å; Y255-T407 HydrophobicContact CE1-CG2 3.63Å; Y255-T407 WeakPolarHBondContact OH-CG2 3.31Å; Q373-T407 HydrophobicContact CB-CG2 4.34Å; T407-V409 HydrophobicContact CG2-CG2 3.86Å; T407-V409 PolarHBondContact O-N 3.38Å
408P98.6Very high97.1Very high0 Ų018.8 Ų18.80%010%0.102CC..  trans-70.693.5169.630.2-36000110.7L74 L342 T343 L346 C372 H410 N413 V418L74-P408 HydrophobicContact CD2-CB 4.01Å; L342-P408 HydrophobicContact CB-CB 4.16Å; L342-P408 HydrophobicContact CB-CG 4.3Å; L342-P408 HydrophobicContact CD1-CB 4.39Å; T343-P408 HydrophobicContact CG2-CG 4.05Å; L346-P408 HydrophobicContact CD2-CG 4.27Å; C372-P408 VanDerWaalsContact O-CD 3.26Å; C372-P408 WeakPolarHBondContact O-CD 3.42Å; P408-H410 PolarHBondContact O-N 2.91Å; P408-N413 WeakPolarHBondContact CA-OD1 2.97Å; P408-N413 HydrophobicContact CB-CB 4.22Å; P408-V418 HydrophobicContact CB-CG2 3.8Å; P408-V418 HydrophobicContact CG-CG2 4.33Å
409V98.7Very high97.2Very high0 Ų019.2 Ų19.20%010%0.1CC..  trans-74.1125.3179.4-179.90000110Y255 T407 L411 Y412 N413Y255-V409 HydrophobicContact CD1-CG1 4.39Å; Y255-V409 HydrophobicContact CD1-CG2 3.97Å; Y255-V409 HydrophobicContact CE1-CG2 3.93Å; T407-V409 HydrophobicContact CG2-CG2 3.86Å; T407-V409 PolarHBondContact O-N 3.38Å; V409-L411 HydrophobicContact CG1-CB 4.16Å; V409-L411 HydrophobicContact CG1-CD1 4.49Å; V409-L411 PolarHBondContact O-N 2.79Å; V409-L411 VanDerWaalsContact O-N 3.09Å; V409-Y412 HydrophobicContact CB-CD1 4.25Å; V409-Y412 HydrophobicContact CB-CD2 4.35Å; V409-Y412 HydrophobicContact CB-CE1 3.67Å; V409-Y412 HydrophobicContact CB-CE2 3.81Å; V409-Y412 VanDerWaalsContact CB-CZ 3.45Å; V409-Y412 HydrophobicContact CG1-CD1 4.02Å; V409-Y412 HydrophobicContact CG1-CE1 3.55Å; V409-Y412 HydrophobicContact CG2-CE1 4.14Å; V409-Y412 HydrophobicContact CG2-CE2 4.22Å; V409-Y412 VanDerWaalsContact CG2-OH 3.26Å; V409-Y412 WeakPolarHBondContact CG2-OH 3.29Å; V409-Y412 PolarHBondContact O-N 2.8Å; V409-Y412 VanDerWaalsContact O-N 3.15Å; V409-N413 PolarHBondContact N-OD1 2.58Å; V409-N413 WeakPolarHBondContact O-CB 3.41Å; V409-N413 PolarHBondContact O-N 2.75Å
410H98.4Very high97.4Very high0 Ų020.3 Ų20.30%010%0.104CC..THydrogen-bonded Turntrans-60.5-19.8-175.643.6-95.9000115G234 L335 K338 P408G234-H410 PolarHBondContact O-CE1 3.47Å; G234-H410 PolarHBondContact O-NE2 2.96Å; G234-H410 VanDerWaalsContact O-NE2 3.16Å; L335-H410 VanDerWaalsContact CB-CD2 3.44Å; L335-H410 WeakPolarHBondContact CB-CD2 3.4Å; L335-H410 WeakPolarHBondContact CD2-CD2 3.49Å; L335-H410 WeakPolarHBondContact O-CB 3.31Å; K338-H410 HydrophobicContact CB-CB 4.12Å; K338-H410 HydrophobicContact CD-CB 4.21Å; K338-H410 WeakPolarHBondContact CD-O 3.1Å; K338-H410 WeakPolarHBondContact CE-O 3.19Å; K338-H410 HydrophobicContact CG-CB 3.94Å; K338-H410 PolarHBondContact NZ-O 3.08Å; P408-H410 PolarHBondContact O-N 2.91Å
411L98.7Very high97.7Very high0 Ų016 Ų160%08%0.081CC..THydrogen-bonded Turntrans-70.2-35.3176-75.5166.4000113.3L45 R46 F49 N257 V326 F327 L335 V409L45-L411 CarbonylContact C-O 3.37Å; L45-L411 VanDerWaalsContact CB-O 3.25Å; L45-L411 WeakPolarHBondContact CB-O 3.49Å; L45-L411 HydrophobicContact CD1-CD2 4.17Å; R46-L411 PolarHBondContact N-O 2.98Å; F49-L411 HydrophobicContact CE2-CB 3.86Å; F49-L411 HydrophobicContact CZ-CB 3.95Å; F49-L411 HydrophobicContact CZ-CD1 4.16Å; F49-L411 HydrophobicContact CZ-CG 4.47Å; N257-L411 WeakPolarHBondContact OD1-CD1 3.1Å; V326-L411 HydrophobicContact CG1-CD2 4.13Å; F327-L411 HydrophobicContact CE1-CD1 4.48Å; F327-L411 HydrophobicContact CE2-CD1 3.86Å; F327-L411 HydrophobicContact CZ-CD1 3.69Å; L335-L411 HydrophobicContact CD1-CD2 4.26Å; L335-L411 HydrophobicContact CD2-CD2 3.87Å; L335-L411 HydrophobicContact CD2-CG 4.3Å; V409-L411 HydrophobicContact CG1-CB 4.16Å; V409-L411 HydrophobicContact CG1-CD1 4.49Å; V409-L411 PolarHBondContact O-N 2.79Å; V409-L411 VanDerWaalsContact O-N 3.09Å
412Y98.6Very high97.9Very high1 Ų112.4 Ų12.40%0.0046%0.058CC..THydrogen-bonded Turntrans-139-23-163.159.8-113.4000113.2R46 F49 Y51 Y73 G76 L81 N257 V409R46-Y412 WeakPolarHBondContact CD-O 3.42Å; R46-Y412 PolarHBondContact NH1-O 3.22Å; F49-Y412 HydrophobicContact CD1-CD1 4.25Å; F49-Y412 HydrophobicContact CD2-CD1 4.38Å; F49-Y412 HydrophobicContact CD2-CG 4.47Å; F49-Y412 HydrophobicContact CE1-CD1 4.21Å; F49-Y412 HydrophobicContact CE2-CD1 4.33Å; F49-Y412 HydrophobicContact CG-CD1 4.33Å; F49-Y412 HydrophobicContact CG-CG 4.49Å; F49-Y412 HydrophobicContact CZ-CD1 4.25Å; Y51-Y412 VanDerWaalsContact OH-CB 3.24Å; Y51-Y412 WeakPolarHBondContact OH-CB 3.3Å; Y51-Y412 PolarHBondContact OH-O 2.93Å; Y73-Y412 HydrophobicContact CD1-CE2 4.14Å; G76-Y412 WeakPolarHBondContact CA-OH 3.25Å; L81-Y412 HydrophobicContact CB-CD1 4.38Å; L81-Y412 HydrophobicContact CB-CE1 4.35Å; L81-Y412 HydrophobicContact CD1-CD1 4.42Å; L81-Y412 HydrophobicContact CD1-CD2 3.56Å; L81-Y412 HydrophobicContact CD1-CE2 3.86Å; L81-Y412 HydrophobicContact CD1-CG 3.87Å; L81-Y412 HydrophobicContact CG-CD2 4.18Å; L81-Y412 HydrophobicContact CG-CE1 4.42Å; L81-Y412 HydrophobicContact CG-CE2 4.01Å; L81-Y412 HydrophobicContact CG-CG 4.45Å; N257-Y412 WeakPolarHBondContact ND2-CE1 3.44Å; V409-Y412 HydrophobicContact CB-CD1 4.25Å; V409-Y412 HydrophobicContact CB-CD2 4.35Å; V409-Y412 HydrophobicContact CB-CE1 3.67Å; V409-Y412 HydrophobicContact CB-CE2 3.81Å; V409-Y412 VanDerWaalsContact CB-CZ 3.45Å; V409-Y412 HydrophobicContact CG1-CD1 4.02Å; V409-Y412 HydrophobicContact CG1-CE1 3.55Å; V409-Y412 HydrophobicContact CG2-CE1 4.14Å; V409-Y412 HydrophobicContact CG2-CE2 4.22Å; V409-Y412 VanDerWaalsContact CG2-OH 3.26Å; V409-Y412 WeakPolarHBondContact CG2-OH 3.29Å; V409-Y412 PolarHBondContact O-N 2.8Å; V409-Y412 VanDerWaalsContact O-N 3.15Å
413N98.8Very high98Very high1 Ų112.8 Ų12.81%0.0056%0.06CC..  trans-82.4151.7174.2-64.8121000113.5Y73 L74 K338 P408 V409 D417Y73-N413 PolarHBondContact O-ND2 3.32Å; Y73-N413 PolarHBondContact O-OD1 3.35Å; L74-N413 HydrophobicContact CD2-CB 4.44Å; K338-N413 WeakPolarHBondContact CE-O 3.29Å; K338-N413 PolarHBondContact NZ-O 2.66Å; P408-N413 WeakPolarHBondContact CA-OD1 2.97Å; P408-N413 HydrophobicContact CB-CB 4.22Å; V409-N413 PolarHBondContact N-OD1 2.58Å; V409-N413 WeakPolarHBondContact O-CB 3.41Å; V409-N413 PolarHBondContact O-N 2.75Å; N413-D417 VanDerWaalsContact CA-OD2 3.29Å; N413-D417 WeakPolarHBondContact CA-OD2 3.34Å; N413-D417 PolarHBondContact ND2-OD2 3.26Å; N413-D417 VanDerWaalsContact ND2-OD2 3.1Å
414S98.6Very high98Very high17 Ų1713.1 Ų13.112%0.1196%0.063CC..  trans-117.5168.3178.797.70000111.6D37 T416 D417 V418D37-S414 WeakPolarHBondContact OD1-CB 3.49Å; D37-S414 PolarHBondContact OD1-OG 2.98Å; D37-S414 WeakPolarHBondContact OD2-CB 3.41Å; D37-S414 PolarHBondContact OD2-OG 3.17Å; S414-T416 VanDerWaalsContact C-N 3.25Å; S414-T416 PolarHBondContact O-N 3.26Å; S414-T416 WeakPolarHBondContact OG-CB 3.49Å; S414-T416 PolarHBondContact OG-N 3.42Å; S414-T416 VanDerWaalsContact OG-N 3.09Å; S414-D417 PolarHBondContact N-OD2 3.06Å; S414-D417 VanDerWaalsContact N-OD2 3.1Å; S414-D417 WeakPolarHBondContact O-CB 3.31Å; S414-D417 PolarHBondContact O-N 3.11Å; S414-D417 PolarHBondContact OG-N 3.33Å; S414-V418 PolarHBondContact O-N 3.48Å
415F98.7Very high97.9Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-63.9-34.1171.3-63.3-90.7000111.1M1 A33 M36 D37 D40 M341 L342 Y345 D417 V418 Y419M1-F415 HydrophobicContact CE-CE2 3.42Å; M1-F415 VanDerWaalsContact CE-CE2 3.42Å; M1-F415 HydrophobicContact CE-CZ 3.37Å; A33-F415 HydrophobicContact CB-CB 4.3Å; M36-F415 HydrophobicContact CB-CB 3.89Å; M36-F415 HydrophobicContact CB-CD1 3.86Å; M36-F415 HydrophobicContact CB-CD2 3.54Å; M36-F415 HydrophobicContact CB-CE1 4.3Å; M36-F415 HydrophobicContact CB-CE2 4.03Å; M36-F415 HydrophobicContact CB-CG 3.47Å; M36-F415 VanDerWaalsContact CB-CG 3.47Å; M36-F415 HydrophobicContact CB-CZ 4.4Å; M36-F415 HydrophobicContact CE-CD1 4.41Å; M36-F415 HydrophobicContact CE-CE1 3.85Å; M36-F415 HydrophobicContact CE-CE2 4.37Å; M36-F415 HydrophobicContact CE-CZ 3.84Å; M36-F415 HydrophobicContact CG-CD1 4.35Å; M36-F415 HydrophobicContact CG-CG 4.41Å; D37-F415 WeakPolarHBondContact OD1-CB 3.35Å; D37-F415 VanDerWaalsContact OD1-CD2 3.31Å; D37-F415 WeakPolarHBondContact OD1-CD2 3.38Å; D37-F415 PolarHBondContact OD1-N 3.35Å; D40-F415 HydrophobicContact CB-CE2 4.45Å; M341-F415 HydrophobicContact CB-CE1 4.03Å; M341-F415 HydrophobicContact CB-CZ 3.74Å; L342-F415 HydrophobicContact CD2-CD1 4.01Å; L342-F415 HydrophobicContact CD2-CD2 4.06Å; L342-F415 HydrophobicContact CD2-CE1 4.08Å; L342-F415 HydrophobicContact CD2-CE2 4.12Å; L342-F415 HydrophobicContact CD2-CG 3.98Å; L342-F415 HydrophobicContact CD2-CZ 4.12Å; L342-F415 HydrophobicContact CG-CZ 4.41Å; Y345-F415 HydrophobicContact CD1-CB 4.15Å; Y345-F415 AromaticContact CD1-CD1 3.77Å; Y345-F415 HydrophobicContact CD1-CD1 3.77Å; Y345-F415 HydrophobicContact CD1-CG 4.47Å; Y345-F415 HydrophobicContact CE1-CB 4.24Å; Y345-F415 AromaticContact CG-CD1 3.93Å; Y345-F415 HydrophobicContact CG-CD1 3.93Å; F415-D417 VanDerWaalsContact C-N 3.35Å; F415-V418 WeakPolarHBondContact O-CB 3.44Å; F415-V418 PolarHBondContact O-N 3.39Å; F415-Y419 WeakPolarHBondContact O-CB 3.41Å; F415-Y419 PolarHBondContact O-N 3.31Å
416T98.6Very high97.7Very high41 Ų4114.4 Ų14.425%0.2527%0.07SC..Hα-helixtrans-62.1-39.2172.3-60.20000112.2D37 S414 V418 Y419 R420D37-T416 WeakPolarHBondContact OD2-CB 3.45Å; D37-T416 PolarHBondContact OD2-N 3.41Å; D37-T416 VanDerWaalsContact OD2-N 3.07Å; D37-T416 PolarHBondContact OD2-OG1 3.47Å; S414-T416 VanDerWaalsContact C-N 3.25Å; S414-T416 PolarHBondContact O-N 3.26Å; S414-T416 WeakPolarHBondContact OG-CB 3.49Å; S414-T416 PolarHBondContact OG-N 3.42Å; S414-T416 VanDerWaalsContact OG-N 3.09Å; T416-V418 VanDerWaalsContact C-N 3.32Å; T416-V418 PolarHBondContact O-N 3.05Å; T416-Y419 PolarHBondContact O-N 2.98Å; T416-R420 HydrophobicContact CG2-CG 4.26Å; T416-R420 WeakPolarHBondContact O-CB 3.39Å; T416-R420 WeakPolarHBondContact O-CG 3.48Å; T416-R420 PolarHBondContact O-N 3.18Å
417D98.6Very high97.4Very high10 Ų1018.9 Ų18.95%0.0539%0.094CC..Hα-helixtrans-60.3-44.4173.9-69.2-29000111.2R46 I72 N413 S414 F415 R420 F421R46-D417 IonicContact CZ-OD2 2.93Å; R46-D417 IonicContact NH1-OD1 2.67Å; R46-D417 IonicContact NH1-OD2 3.09Å; R46-D417 PolarHBondContact NH1-OD2 3.47Å; R46-D417 IonicContact NH2-OD1 3.64Å; I72-D417 HydrophobicContact CG2-CB 4.42Å; N413-D417 VanDerWaalsContact CA-OD2 3.29Å; N413-D417 WeakPolarHBondContact CA-OD2 3.34Å; N413-D417 PolarHBondContact ND2-OD2 3.26Å; N413-D417 VanDerWaalsContact ND2-OD2 3.1Å; S414-D417 PolarHBondContact N-OD2 3.06Å; S414-D417 VanDerWaalsContact N-OD2 3.1Å; S414-D417 WeakPolarHBondContact O-CB 3.31Å; S414-D417 PolarHBondContact O-N 3.11Å; S414-D417 PolarHBondContact OG-N 3.33Å; F415-D417 VanDerWaalsContact C-N 3.35Å; D417-R420 PolarHBondContact O-N 3.13Å; D417-F421 WeakPolarHBondContact O-CB 3.36Å; D417-F421 PolarHBondContact O-N 2.92Å
418V98.6Very high97.1Very high1 Ų118.9 Ų18.91%0.0069%0.094CC..Hα-helixtrans-62.1-47.2178170.50000110.9L342 Y345 L346 L349 P408 S414 F415 T416 F421 V422L342-V418 HydrophobicContact CD2-CG2 4.23Å; Y345-V418 HydrophobicContact CD1-CB 4.02Å; Y345-V418 HydrophobicContact CD1-CG1 3.61Å; Y345-V418 HydrophobicContact CE1-CB 4.43Å; Y345-V418 HydrophobicContact CE1-CG1 4.14Å; Y345-V418 HydrophobicContact CG-CG1 4.48Å; L346-V418 HydrophobicContact CB-CG1 3.64Å; L346-V418 HydrophobicContact CD1-CG1 4.07Å; L346-V418 HydrophobicContact CG-CG1 4.42Å; L349-V418 HydrophobicContact CD1-CG1 4.3Å; P408-V418 HydrophobicContact CB-CG2 3.8Å; P408-V418 HydrophobicContact CG-CG2 4.33Å; S414-V418 PolarHBondContact O-N 3.48Å; F415-V418 WeakPolarHBondContact O-CB 3.44Å; F415-V418 PolarHBondContact O-N 3.39Å; T416-V418 VanDerWaalsContact C-N 3.32Å; T416-V418 PolarHBondContact O-N 3.05Å; V418-F421 WeakPolarHBondContact O-CB 3.34Å; V418-F421 PolarHBondContact O-N 3.37Å; V418-V422 PolarHBondContact O-N 3.03Å
419Y98.5Very high96.7Very high46 Ų4619.1 Ų19.118%0.1810%0.096CC..Hα-helixtrans-59.7-49.6176.4173.7-93.8000111.8T28 A30 A33 L349 F415 T416 F421 V422 N423T28-Y419 WeakPolarHBondContact O-CE2 3.36Å; A30-Y419 HydrophobicContact CB-CD1 4.18Å; A30-Y419 HydrophobicContact CB-CE1 3.48Å; A30-Y419 VanDerWaalsContact CB-CE1 3.48Å; A30-Y419 HydrophobicContact CB-CE2 4.36Å; A30-Y419 PolarHBondContact N-OH 3.31Å; A33-Y419 HydrophobicContact CB-CG 4.14Å; L349-Y419 HydrophobicContact CD1-CD2 4.46Å; F415-Y419 WeakPolarHBondContact O-CB 3.41Å; F415-Y419 PolarHBondContact O-N 3.31Å; T416-Y419 PolarHBondContact O-N 2.98Å; Y419-F421 VanDerWaalsContact C-N 3.29Å; Y419-F421 PolarHBondContact O-N 2.94Å; Y419-V422 PolarHBondContact O-N 3.47Å; Y419-N423 WeakPolarHBondContact CD1-ND2 3.3Å; Y419-N423 WeakPolarHBondContact CD2-ND2 3.39Å; Y419-N423 WeakPolarHBondContact CE1-ND2 3.42Å; Y419-N423 WeakPolarHBondContact CE2-ND2 3.35Å; Y419-N423 PolarHBondContact O-N 3.24Å; Y419-N423 PolarHBondContact O-ND2 3.16Å
420R97.7Very high96.2Very high106 Ų10621 Ų2140%0.412%0.115SC..Hα-helixtrans-61.3-38.7179.1-76.2179.2145.9-160.4-11.7111.5E69 I72 T416 D417 G424E69-R420 IonicContact OE1-NH2 3.98Å; E69-R420 IonicContact OE2-CZ 3.25Å; E69-R420 IonicContact OE2-NH1 3.79Å; E69-R420 PolarHBondContact OE2-NH1 3.3Å; E69-R420 IonicContact OE2-NH2 3.65Å; E69-R420 PolarHBondContact OE2-NH2 2.87Å; E69-R420 VanDerWaalsContact OE2-NH2 3.09Å; I72-R420 HydrophobicContact CD1-CB 3.56Å; I72-R420 HydrophobicContact CG1-CB 4.34Å; T416-R420 HydrophobicContact CG2-CG 4.26Å; T416-R420 WeakPolarHBondContact O-CB 3.39Å; T416-R420 WeakPolarHBondContact O-CG 3.48Å; T416-R420 PolarHBondContact O-N 3.18Å; D417-R420 PolarHBondContact O-N 3.13Å; R420-G424 PolarHBondContact O-N 3.35Å
421F97.8Very high95.5Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-60.2-51.1173.8165.3-100.8000112.4I72 L74 L346 L376 I394 V406 D417 V418 Y419 N423 G424 L425I72-F421 HydrophobicContact CG2-CB 4.28Å; L74-F421 HydrophobicContact CD1-CB 3.49Å; L74-F421 VanDerWaalsContact CD1-CB 3.49Å; L74-F421 HydrophobicContact CD1-CD1 4.26Å; L74-F421 HydrophobicContact CD1-CD2 3.77Å; L74-F421 HydrophobicContact CD1-CG 3.55Å; L346-F421 HydrophobicContact CD1-CD1 3.9Å; L346-F421 HydrophobicContact CD1-CE1 3.98Å; L376-F421 HydrophobicContact CD1-CE1 4.32Å; L376-F421 HydrophobicContact CD1-CZ 4.25Å; I394-F421 HydrophobicContact CG2-CD2 3.66Å; I394-F421 HydrophobicContact CG2-CE2 4.16Å; V406-F421 HydrophobicContact CB-CE1 4.3Å; V406-F421 HydrophobicContact CB-CZ 4.28Å; V406-F421 HydrophobicContact CG1-CD1 3.92Å; V406-F421 HydrophobicContact CG1-CD2 4.5Å; V406-F421 HydrophobicContact CG1-CE1 3.69Å; V406-F421 HydrophobicContact CG1-CE2 4.31Å; V406-F421 HydrophobicContact CG1-CG 4.33Å; V406-F421 HydrophobicContact CG1-CZ 3.91Å; V406-F421 HydrophobicContact CG2-CE1 3.7Å; V406-F421 HydrophobicContact CG2-CE2 4.07Å; V406-F421 HydrophobicContact CG2-CZ 3.33Å; D417-F421 WeakPolarHBondContact O-CB 3.36Å; D417-F421 PolarHBondContact O-N 2.92Å; V418-F421 WeakPolarHBondContact O-CB 3.34Å; V418-F421 PolarHBondContact O-N 3.37Å; Y419-F421 VanDerWaalsContact C-N 3.29Å; Y419-F421 PolarHBondContact O-N 2.94Å; F421-N423 PolarHBondContact O-N 3.48Å; F421-G424 PolarHBondContact O-N 3.29Å; F421-L425 HydrophobicContact CE1-CD2 4.15Å; F421-L425 HydrophobicContact CZ-CB 4.47Å; F421-L425 HydrophobicContact CZ-CD2 3.84Å; F421-L425 WeakPolarHBondContact O-CB 3.3Å; F421-L425 PolarHBondContact O-N 3.39Å
422V96.8Very high94.8Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-64.6-42.3-176.5176.70000111.2L346 L349 I350 Y353 V418 Y419 L425 L426L346-V422 HydrophobicContact CD1-CG2 3.66Å; L349-V422 HydrophobicContact CB-CB 4.2Å; L349-V422 HydrophobicContact CB-CG1 3.96Å; L349-V422 HydrophobicContact CB-CG2 3.88Å; L349-V422 HydrophobicContact CD1-CB 4.13Å; L349-V422 HydrophobicContact CD1-CG2 3.99Å; I350-V422 HydrophobicContact CD1-CG2 4.08Å; I350-V422 HydrophobicContact CG1-CG2 4.48Å; Y353-V422 HydrophobicContact CD2-CG1 4.18Å; V418-V422 PolarHBondContact O-N 3.03Å; Y419-V422 PolarHBondContact O-N 3.47Å; V422-L425 WeakPolarHBondContact O-CB 3.49Å; V422-L425 PolarHBondContact O-N 3.01Å; V422-L426 HydrophobicContact CG1-CD1 4.11Å; V422-L426 HydrophobicContact CG1-CG 4.44Å; V422-L426 WeakPolarHBondContact O-CG 3.35Å; V422-L426 PolarHBondContact O-N 2.74Å
423N95.3Very high93.5Very high42 Ų4235.5 Ų35.523%0.22518%0.176CC..Hα-helixtrans-62.8-43.6174.6-73.5-73.3000112.1Y419 F421 L425 L426 D427Y419-N423 WeakPolarHBondContact CD1-ND2 3.3Å; Y419-N423 WeakPolarHBondContact CD2-ND2 3.39Å; Y419-N423 WeakPolarHBondContact CE1-ND2 3.42Å; Y419-N423 WeakPolarHBondContact CE2-ND2 3.35Å; Y419-N423 PolarHBondContact O-N 3.24Å; Y419-N423 PolarHBondContact O-ND2 3.16Å; F421-N423 PolarHBondContact O-N 3.48Å; N423-L425 VanDerWaalsContact C-N 3.27Å; N423-L425 PolarHBondContact O-N 2.89Å; N423-L426 PolarHBondContact O-N 2.91Å; N423-D427 PolarHBondContact O-N 2.83Å
424G95Very high91.4Very high7 Ų742 Ų427%0.07223%0.229CC..Hα-helixtrans-59.6-38.7174.500000112.6R420 F421 V428R420-G424 PolarHBondContact O-N 3.35Å; F421-G424 PolarHBondContact O-N 3.29Å; G424-V428 VanDerWaalsContact O-CG2 3.28Å; G424-V428 WeakPolarHBondContact O-CG2 3.34Å; G424-V428 PolarHBondContact O-N 2.99Å
425L94.9Very high91Very high0 Ų043.3 Ų43.30%024%0.235CC..Hα-helixtrans-66.4-42.9175.2178.857.7000112I350 L354 L376 F378 L385 L389 F421 V422 N423 V428 L429I350-L425 HydrophobicContact CD1-CD2 4.39Å; L354-L425 HydrophobicContact CD1-CD2 3.51Å; L354-L425 HydrophobicContact CD1-CG 4.17Å; L376-L425 HydrophobicContact CD1-CD2 3.95Å; F378-L425 HydrophobicContact CE1-CD1 4.47Å; F378-L425 HydrophobicContact CZ-CD1 4.19Å; F378-L425 HydrophobicContact CZ-CD2 4.25Å; L385-L425 HydrophobicContact CD1-CD1 3.67Å; L385-L425 HydrophobicContact CD2-CD1 4.04Å; L385-L425 HydrophobicContact CG-CD1 4.15Å; L389-L425 HydrophobicContact CD1-CD1 4.44Å; L389-L425 HydrophobicContact CD2-CB 4.47Å; F421-L425 HydrophobicContact CE1-CD2 4.15Å; F421-L425 HydrophobicContact CZ-CB 4.47Å; F421-L425 HydrophobicContact CZ-CD2 3.84Å; F421-L425 WeakPolarHBondContact O-CB 3.3Å; F421-L425 PolarHBondContact O-N 3.39Å; V422-L425 WeakPolarHBondContact O-CB 3.49Å; V422-L425 PolarHBondContact O-N 3.01Å; N423-L425 VanDerWaalsContact C-N 3.27Å; N423-L425 PolarHBondContact O-N 2.89Å; L425-V428 PolarHBondContact O-N 2.97Å; L425-L429 HydrophobicContact CD1-CD1 4.01Å; L425-L429 HydrophobicContact CD1-CG 4.14Å; L425-L429 HydrophobicContact CG-CD1 3.96Å; L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.41Å; L425-L429 PolarHBondContact O-N 3.05Å
426L93.2Very high90.6Very high30 Ų3045.5 Ų45.516%0.15725%0.247CC..Hα-helixtrans-60.7-47176.5-72.5166.5000112.1Y353 L354 V422 N423 V428 L429 G430Y353-L426 HydrophobicContact CD1-CD1 4.16Å; Y353-L426 HydrophobicContact CD2-CD1 3.77Å; Y353-L426 HydrophobicContact CE2-CD1 4.32Å; Y353-L426 HydrophobicContact CG-CD1 3.65Å; Y353-L426 HydrophobicContact CG-CD2 4.45Å; L354-L426 HydrophobicContact CD2-CD2 3.36Å; L354-L426 HydrophobicContact CD2-CG 4.22Å; L354-L426 HydrophobicContact CG-CD2 4.23Å; V422-L426 HydrophobicContact CG1-CD1 4.11Å; V422-L426 HydrophobicContact CG1-CG 4.44Å; V422-L426 WeakPolarHBondContact O-CG 3.35Å; V422-L426 PolarHBondContact O-N 2.74Å; N423-L426 PolarHBondContact O-N 2.91Å; L426-V428 VanDerWaalsContact C-N 3.26Å; L426-V428 PolarHBondContact O-N 3.49Å; L426-L429 PolarHBondContact O-N 3.37Å; L426-G430 PolarHBondContact O-N 3.44Å
427D92.4Very high90.1Very high94 Ų9445.8 Ų45.850%0.50325%0.247SC..Hα-helixtrans-57-42177-78-8.7000112N423 K431N423-D427 PolarHBondContact O-N 2.83Å; D427-K431 WeakPolarHBondContact O-CG 3.14Å; D427-K431 PolarHBondContact O-N 2.88Å; D427-K431 VanDerWaalsContact O-N 3.09Å
428V92.3Very high89.6Confident0 Ų047.9 Ų47.90%026%0.258CS..Hα-helixtrans-69.9-42.8178.7176.60000111L385 H388 L389 G424 L425 L426 G430 K431 L432L385-V428 HydrophobicContact CD1-CB 4.05Å; L385-V428 HydrophobicContact CD1-CG1 3.41Å; L385-V428 VanDerWaalsContact CD1-CG1 3.41Å; H388-V428 HydrophobicContact CB-CB 4.23Å; H388-V428 HydrophobicContact CB-CG1 3.41Å; H388-V428 VanDerWaalsContact CB-CG1 3.41Å; H388-V428 HydrophobicContact CB-CG2 3.69Å; L389-V428 HydrophobicContact CD2-CG2 4.24Å; G424-V428 VanDerWaalsContact O-CG2 3.28Å; G424-V428 WeakPolarHBondContact O-CG2 3.34Å; G424-V428 PolarHBondContact O-N 2.99Å; L425-V428 PolarHBondContact O-N 2.97Å; L426-V428 VanDerWaalsContact C-N 3.26Å; L426-V428 PolarHBondContact O-N 3.49Å; V428-G430 VanDerWaalsContact C-N 3.32Å; V428-G430 PolarHBondContact O-N 3.43Å; V428-K431 PolarHBondContact O-N 3.5Å; V428-L432 HydrophobicContact CG1-CD1 3.76Å; V428-L432 HydrophobicContact CG1-CG 4.2Å; V428-L432 WeakPolarHBondContact O-CB 3.06Å; V428-L432 WeakPolarHBondContact O-CG 3.41Å; V428-L432 PolarHBondContact O-N 3.25Å
429L90.7Very high89.1Confident6 Ų650.8 Ų50.83%0.03127%0.274CS..Hα-helixtrans-64.8-36.1178.1-71.1169.8000112.2L354 H357 F378 L385 L425 L426 L432 R433L354-L429 HydrophobicContact CD2-CD1 3.39Å; H357-L429 HydrophobicContact CB-CD1 4.16Å; F378-L429 HydrophobicContact CD1-CD2 4.44Å; F378-L429 HydrophobicContact CE1-CD1 4.29Å; F378-L429 HydrophobicContact CE1-CD2 4.2Å; L385-L429 HydrophobicContact CD1-CD2 3.88Å; L385-L429 HydrophobicContact CD1-CG 4.14Å; L385-L429 HydrophobicContact CD2-CD2 4.41Å; L425-L429 HydrophobicContact CD1-CD1 4.01Å; L425-L429 HydrophobicContact CD1-CG 4.14Å; L425-L429 HydrophobicContact CG-CD1 3.96Å; L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.41Å; L425-L429 PolarHBondContact O-N 3.05Å; L426-L429 PolarHBondContact O-N 3.37Å; L429-L432 PolarHBondContact O-N 2.94Å; L429-R433 WeakPolarHBondContact O-CG 3.37Å; L429-R433 PolarHBondContact O-N 3.01Å
430G87.6Confident88.5Confident39 Ų3951.1 Ų51.140%0.40228%0.28SS..Hα-helixtrans-62.4-46.5171.400000112.3L426 V428 L432 R433 A434L426-G430 PolarHBondContact O-N 3.44Å; V428-G430 VanDerWaalsContact C-N 3.32Å; V428-G430 PolarHBondContact O-N 3.43Å; G430-L432 VanDerWaalsContact C-N 3.32Å; G430-L432 PolarHBondContact O-N 3.46Å; G430-R433 PolarHBondContact O-N 3.37Å; G430-A434 PolarHBondContact O-N 3.39Å
431K84.9Confident87.8Confident131 Ų13147.2 Ų47.257%0.5727%0.272SS*.Hα-helixtrans-66-28.7177.5-74.6-178.7-177.7-176.60114.2D427 V428D427-K431 WeakPolarHBondContact O-CG 3.14Å; D427-K431 PolarHBondContact O-N 2.88Å; D427-K431 VanDerWaalsContact O-N 3.09Å; V428-K431 PolarHBondContact O-N 3.5Å
432L82.3Confident87Confident36 Ų3650.8 Ų50.819%0.18829%0.293CS..THydrogen-bonded Turntrans-91.32.6178.1-64.8175.9000113.6R380 L385 V428 L429 G430R380-L432 VanDerWaalsContact NH1-CB 3.31Å; R380-L432 PolarHBondContact NH1-O 3.46Å; L385-L432 HydrophobicContact CB-CD1 4.31Å; L385-L432 HydrophobicContact CD1-CD1 4.24Å; V428-L432 HydrophobicContact CG1-CD1 3.76Å; V428-L432 HydrophobicContact CG1-CG 4.2Å; V428-L432 WeakPolarHBondContact O-CB 3.06Å; V428-L432 WeakPolarHBondContact O-CG 3.41Å; V428-L432 PolarHBondContact O-N 3.25Å; L429-L432 PolarHBondContact O-N 2.94Å; G430-L432 VanDerWaalsContact C-N 3.32Å; G430-L432 PolarHBondContact O-N 3.46Å
433R73.2Confident86.2Confident139 Ų13955.1 Ų55.153%0.52532%0.317SS..THydrogen-bonded Turntrans-94-36.6168.3-83.3180172.7179-2.4111.5E356 H357 L429 G430E356-R433 PolarHBondContact O-NH2 3.32Å; H357-R433 PolarHBondContact CE1-NH1 2.79Å; H357-R433 VanDerWaalsContact CE1-NH1 3.27Å; H357-R433 VanDerWaalsContact ND1-CZ 3.31Å; H357-R433 PolarHBondContact ND1-NH2 2.87Å; L429-R433 WeakPolarHBondContact O-CG 3.37Å; L429-R433 PolarHBondContact O-N 3.01Å; G430-R433 PolarHBondContact O-N 3.37Å
434A52.8Low85.4Confident137 Ų13756.3 Ų56.3100%1.13233%0.325SS*.  trans-71.60169.300000110.8G430G430-A434 PolarHBondContact O-N 3.39Å

Retrieved 434 of 434 residues in 267.1 ms (Link to these results)

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